| 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 | 51.8 | Low | 44.2 | Very low | 219 Ų | 219 | 130.1 Ų | 130.1 | 100% | 1.079 | 71% | 0.708 | S | S | * | * | 0 | 29.4 | 0 | -70.9 | 173.4 | 68.9 | 0 | 0 | 113.2 | |||||
| 2 | T | 47.8 | Very low | 44.1 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 77% | 0.767 | 71% | 0.711 | S | S | * | * | trans | -112.8 | -3.4 | 178.9 | 40.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 3 | S | 53.2 | Low | 44.1 | Very low | 91 Ų | 91 | 127.5 Ų | 127.5 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -96.6 | -6.7 | -175.3 | -160 | 0 | 0 | 0 | 0 | 114.6 | ||
| 4 | V | 47.6 | Very low | 44.1 | Very low | 101 Ų | 101 | 126.4 Ų | 126.4 | 61% | 0.612 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -96.2 | -24.8 | -177.3 | -177.6 | 0 | 0 | 0 | 0 | 112 | ||
| 5 | F | 43 | Very low | 43.9 | Very low | 163 Ų | 163 | 125.3 Ų | 125.3 | 72% | 0.715 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -80 | -22.1 | -179.1 | -75 | -76.6 | 0 | 0 | 0 | 114.3 | ||
| 6 | L | 41.7 | Very low | 43.4 | Very low | 124 Ų | 124 | 125.3 Ų | 125.3 | 65% | 0.649 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -79 | -19 | 174.6 | -99.3 | 142.2 | 0 | 0 | 0 | 113.4 | S9 | L6-S9 PolarHBondContact O-OG 3.43Å |
| 7 | L | 39.2 | Very low | 43.2 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 62% | 0.623 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -86.4 | -18 | 176.1 | -94.9 | 142.1 | 0 | 0 | 0 | 112.8 | ||
| 8 | L | 37.2 | Very low | 43 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 63% | 0.628 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -88.3 | -20 | 175.2 | -110.7 | 82.1 | 0 | 0 | 0 | 113.8 | L10 | L8-L10 VanDerWaalsContact C-N 3.32Å |
| 9 | S | 41.5 | Very low | 42.7 | Very low | 82 Ų | 82 | 123.3 Ų | 123.3 | 57% | 0.573 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -11.7 | 175.4 | 50.4 | 0 | 0 | 0 | 0 | 113.8 | L6 | L6-S9 PolarHBondContact O-OG 3.43Š|
| 10 | L | 39.4 | Very low | 42.9 | Very low | 145 Ų | 145 | 119.1 Ų | 119.1 | 76% | 0.759 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -0.6 | 173.4 | -102.3 | 115 | 0 | 0 | 0 | 114.1 | L8 | L8-L10 VanDerWaalsContact C-N 3.32Š|
| 11 | L | 43.4 | Very low | 43.8 | Very low | 142 Ų | 142 | 117.2 Ų | 117.2 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -109.6 | 18.9 | -178.3 | -105.9 | 131.5 | 0 | 0 | 0 | 114 | ||
| 12 | L | 42.9 | Very low | 45.4 | Very low | 142 Ų | 142 | 111.8 Ų | 111.8 | 74% | 0.743 | 66% | 0.655 | S | S | * | * | trans | -127.5 | 24.8 | 170.6 | -75.5 | 171.2 | 0 | 0 | 0 | 112.9 | V14 | L12-V14 PolarHBondContact O-N 3.12Š| ||
| 13 | A | 44.2 | Very low | 47.8 | Very low | 85 Ų | 85 | 106.3 Ų | 106.3 | 70% | 0.702 | 62% | 0.621 | S | S | * | * | trans | -73.3 | 72.8 | 149 | 0 | 0 | 0 | 0 | 0 | 106.9 | V15 | A13-V15 PolarHBondContact O-N 3.27Š| ||
| 14 | V | 44.8 | Very low | 49.9 | Very low | 111 Ų | 111 | 103.9 Ų | 103.9 | 67% | 0.673 | 60% | 0.597 | S | S | * | * | trans | -57.1 | 100.4 | 153.5 | 178.5 | 0 | 0 | 0 | 0 | 103 | L12 D16 | L12-V14 PolarHBondContact O-N 3.12Å; V14-D16 PolarHBondContact O-N 2.91Å | ||
| 15 | V | 41.4 | Very low | 52.4 | Low | 111 Ų | 111 | 99 Ų | 99 | 67% | 0.673 | 57% | 0.568 | S | S | * | * | trans | -58.7 | 97 | 160.1 | -174.5 | 0 | 0 | 0 | 0 | 102.4 | A13 V17 | A13-V15 PolarHBondContact O-N 3.27Å; V15-V17 HydrophobicContact CB-CG2 4.39Å; V15-V17 HydrophobicContact CG1-CG2 3.7Å; V15-V17 PolarHBondContact O-N 2.84Å | ||
| 16 | D | 35.8 | Very low | 55 | Low | 125 Ų | 125 | 91.3 Ų | 91.3 | 67% | 0.668 | 54% | 0.535 | S | S | * | . | trans | -56.4 | 88.7 | 151.3 | -109.8 | -23.1 | 0 | 0 | 0 | 103.2 | V14 Q18 | V14-D16 PolarHBondContact O-N 2.91Å; D16-Q18 HydrophobicContact CB-CG 4.43Å; D16-Q18 PolarHBondContact O-N 3.09Å | ||
| 17 | V | 39 | Very low | 57.8 | Low | 122 Ų | 122 | 85.4 Ų | 85.4 | 74% | 0.739 | 50% | 0.504 | S | S | * | . | trans | -65.4 | 79.1 | 152.7 | 178.6 | 0 | 0 | 0 | 0 | 102.3 | V15 G19 | V15-V17 HydrophobicContact CB-CG2 4.39Å; V15-V17 HydrophobicContact CG1-CG2 3.7Å; V15-V17 PolarHBondContact O-N 2.84Å; V17-G19 PolarHBondContact O-N 2.8Å | ||
| 18 | Q | 40.3 | Very low | 60.6 | Low | 146 Ų | 146 | 79.8 Ų | 79.8 | 68% | 0.682 | 47% | 0.474 | S | S | * | . | trans | -58.6 | 93.1 | 157.8 | -91.2 | 171.3 | -21.7 | 0 | 0 | 103.6 | D16 G20 | D16-Q18 HydrophobicContact CB-CG 4.43Å; D16-Q18 PolarHBondContact O-N 3.09Å; Q18-G20 PolarHBondContact O-N 2.73Å | ||
| 19 | G | 37.4 | Very low | 63.5 | Low | 70 Ų | 70 | 74 Ų | 74 | 72% | 0.722 | 44% | 0.444 | S | S | * | . | trans | -61.5 | 68.9 | 159.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | V17 S21 | V17-G19 PolarHBondContact O-N 2.8Å; G19-S21 PolarHBondContact O-N 2.76Å | ||
| 20 | G | 45.7 | Very low | 66.3 | Low | 39 Ų | 39 | 70.1 Ų | 70.1 | 40% | 0.402 | 42% | 0.417 | S | S | . | . | trans | -57.4 | 121.2 | 156 | 0 | 0 | 0 | 0 | 0 | 104.6 | Q18 E22 | Q18-G20 PolarHBondContact O-N 2.73Å; G20-E22 PolarHBondContact O-N 2.89Å | ||
| 21 | S | 63.6 | Low | 69 | Low | 79 Ų | 79 | 66 Ų | 66 | 55% | 0.552 | 39% | 0.394 | S | S | * | . | trans | -52.2 | 106.6 | 173.8 | 58.4 | 0 | 0 | 0 | 0 | 107.5 | G19 F23 V285 | G19-S21 PolarHBondContact O-N 2.76Å; S21-F23 PolarHBondContact O-N 2.83Å; S21-V285 WeakPolarHBondContact O-CG1 3.31Å | ||
| 22 | E | 84.8 | Confident | 71.3 | Confident | 106 Ų | 106 | 63.2 Ų | 63.2 | 50% | 0.495 | 38% | 0.377 | S | S | . | . | trans | -65.7 | 133.9 | 178.9 | -55.5 | 179.2 | 141.6 | 0 | 0 | 108 | G20 R24 L282 | G20-E22 PolarHBondContact O-N 2.89Å; E22-R24 IonicContact OE2-NH2 3.21Å; E22-R24 PolarHBondContact OE2-NH2 3.44Å; E22-R24 VanDerWaalsContact OE2-NH2 3.16Å; E22-L282 HydrophobicContact CB-CD1 4.11Å; E22-L282 HydrophobicContact CB-CD2 3.77Å; E22-L282 HydrophobicContact CB-CG 4.46Å; E22-L282 VanDerWaalsContact CD-CD1 3.45Å; E22-L282 HydrophobicContact CG-CD1 4.22Å; E22-L282 WeakPolarHBondContact OE2-CD1 3.34Å | ||
| 23 | F | 97.1 | Very high | 74 | Confident | 9 Ų | 9 | 56.5 Ų | 56.5 | 4% | 0.039 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 112.9 | 177.2 | -174.3 | -82 | 0 | 0 | 0 | 109.2 | S21 I25 D55 V56 V113 A143 T146 F151 L282 L283 V285 | S21-F23 PolarHBondContact O-N 2.83Å; F23-I25 HydrophobicContact CD1-CG1 4.19Å; F23-I25 HydrophobicContact CE1-CD1 4.02Å; F23-I25 HydrophobicContact CE1-CG1 3.67Å; F23-D55 VanDerWaalsContact CA-OD2 3.24Å; F23-D55 WeakPolarHBondContact CA-OD2 3.35Å; F23-D55 HydrophobicContact CD2-CB 3.94Å; F23-D55 HydrophobicContact CE1-CB 4.39Å; F23-D55 HydrophobicContact CE2-CB 3.68Å; F23-D55 HydrophobicContact CG-CB 4.4Å; F23-D55 HydrophobicContact CZ-CB 3.92Å; F23-V56 HydrophobicContact CZ-CG2 4.11Å; F23-V113 HydrophobicContact CE2-CG1 3.38Å; F23-V113 HydrophobicContact CZ-CG1 3.3Å; F23-A143 HydrophobicContact CD2-CB 4.5Å; F23-A143 HydrophobicContact CE2-CB 3.76Å; F23-A143 HydrophobicContact CZ-CB 3.81Å; F23-T146 HydrophobicContact CB-CG2 3.69Å; F23-T146 HydrophobicContact CD1-CG2 3.67Å; F23-T146 HydrophobicContact CD2-CG2 3.52Å; F23-T146 HydrophobicContact CE1-CG2 4.16Å; F23-T146 HydrophobicContact CE2-CG2 4.03Å; F23-T146 HydrophobicContact CG-CG2 3.31Å; F23-T146 HydrophobicContact CZ-CG2 4.33Å; F23-F151 AromaticContact CE1-CE1 3.95Å; F23-F151 HydrophobicContact CE1-CE1 3.95Å; F23-F151 AromaticContact CE1-CZ 3.75Å; F23-F151 HydrophobicContact CE1-CZ 3.75Å; F23-F151 HydrophobicContact CZ-CE1 4.12Å; F23-F151 AromaticContact CZ-CZ 3.93Å; F23-F151 HydrophobicContact CZ-CZ 3.93Å; F23-L282 CarbonylContact O-C 3.57Å; F23-L282 WeakPolarHBondContact O-CA 3.39Å; F23-L283 HydrophobicContact CB-CB 4.33Å; F23-L283 HydrophobicContact CD1-CB 4.11Å; F23-L283 HydrophobicContact CD1-CD1 3.9Å; F23-L283 HydrophobicContact CD1-CG 4.07Å; F23-L283 HydrophobicContact CE1-CD1 4.13Å; F23-L283 PolarHBondContact O-N 2.93Å; F23-V285 HydrophobicContact CB-CG1 3.88Å |
| 24 | R | 98.6 | Very high | 76.5 | Confident | 40 Ų | 40 | 52.8 Ų | 52.8 | 15% | 0.151 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 127.8 | -172 | -172.5 | 176.8 | -70 | 95.9 | 6.4 | 112.1 | E22 R53 D55 V56 E280 V281 L282 | E22-R24 IonicContact OE2-NH2 3.21Å; E22-R24 PolarHBondContact OE2-NH2 3.44Å; E22-R24 VanDerWaalsContact OE2-NH2 3.16Å; R24-R53 WeakPolarHBondContact CD-O 3.29Å; R24-R53 PolarHBondContact NH1-O 3.46Å; R24-D55 PolarHBondContact N-OD2 2.96Å; R24-D55 PolarHBondContact O-N 2.76Å; R24-V56 PolarHBondContact O-N 3.05Å; R24-E280 HydrophobicContact CG-CB 4.27Å; R24-E280 IonicContact NE-OE1 3.93Å; R24-E280 IonicContact NE-OE2 3.78Å; R24-V281 WeakPolarHBondContact CA-O 3.16Å; R24-L282 HydrophobicContact CB-CD2 3.59Å; R24-L282 HydrophobicContact CG-CD2 3.89Å |
| 25 | I | 98.9 | Very high | 78.9 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 136.2 | 170.5 | -59.7 | 169.1 | 0 | 0 | 0 | 108.3 | F23 V56 F151 L153 M187 L189 E280 V281 L283 | F23-I25 HydrophobicContact CD1-CG1 4.19Å; F23-I25 HydrophobicContact CE1-CD1 4.02Å; F23-I25 HydrophobicContact CE1-CG1 3.67Å; I25-V56 CarbonylContact C-O 3.22Å; I25-V56 WeakPolarHBondContact CA-O 3.4Å; I25-F151 HydrophobicContact CD1-CD2 4.32Å; I25-F151 HydrophobicContact CD1-CE1 4.4Å; I25-F151 HydrophobicContact CD1-CE2 3.65Å; I25-F151 HydrophobicContact CD1-CZ 3.69Å; I25-F151 HydrophobicContact CG1-CZ 4.38Å; I25-L153 HydrophobicContact CD1-CD2 4.41Å; I25-L153 HydrophobicContact CG2-CD1 4.08Å; I25-L153 HydrophobicContact CG2-CD2 4.47Å; I25-M187 HydrophobicContact CD1-CE 4.07Å; I25-M187 HydrophobicContact CD1-SD 4.14Å; I25-M187 HydrophobicContact CG2-SD 4.02Å; I25-L189 HydrophobicContact CG2-CD1 3.77Å; I25-E280 CarbonylContact O-C 3.55Å; I25-E280 VanDerWaalsContact O-CA 3.3Å; I25-E280 WeakPolarHBondContact O-CA 3.34Å; I25-V281 HydrophobicContact CB-CG1 4.12Å; I25-V281 PolarHBondContact N-O 3.1Å; I25-V281 PolarHBondContact O-N 3.25Å; I25-L283 HydrophobicContact CD1-CD1 3.68Å; I25-L283 HydrophobicContact CD1-CG 4.09Å |
| 26 | C | 98.9 | Very high | 81.5 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.007 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 152 | 179.9 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | C54 V56 C57 L58 V279 | C26-C54 HydrophobicContact CB-CB 3.89Å; C26-C54 WeakPolarHBondContact CB-SG 3.46Å; C26-C54 WeakPolarHBondContact SG-CB 3.27Å; C26-C54 CovalentContact SG-SG 2.03Å; C26-C54 PolarHBondContact SG-SG 3Å; C26-V56 PolarHBondContact N-O 2.7Å; C26-C57 HydrophobicContact CB-CB 4.3Å; C26-C57 CarbonylContact O-C 3.59Å; C26-C57 WeakPolarHBondContact O-CA 3.43Å; C26-L58 PolarHBondContact O-N 2.75Å; C26-V279 CarbonylContact C-O 3.55Å; C26-V279 VanDerWaalsContact CA-O 3.27Å; C26-V279 WeakPolarHBondContact CA-O 3.32Å |
| 27 | A | 98.9 | Very high | 84.4 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 135.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | L58 L189 P278 V279 | A27-L58 CarbonylContact C-O 3.59Å; A27-L58 WeakPolarHBondContact CA-O 3.19Å; A27-L58 HydrophobicContact CB-CB 4.17Å; A27-L58 HydrophobicContact CB-CD2 3.98Å; A27-L58 HydrophobicContact CB-CG 4.43Å; A27-L189 HydrophobicContact CB-CB 4.19Å; A27-L189 HydrophobicContact CB-CD1 3.99Å; A27-L189 HydrophobicContact CB-CG 3.97Å; A27-P278 CarbonylContact O-C 3.5Å; A27-P278 VanDerWaalsContact O-CA 3.25Å; A27-P278 WeakPolarHBondContact O-CA 3.45Å; A27-V279 HydrophobicContact CB-CG2 4.03Å; A27-V279 PolarHBondContact N-O 3.47Å; A27-V279 PolarHBondContact O-N 3.14Å |
| 28 | F | 98.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 112.9 | -173.2 | -168.9 | -165.5 | 0 | 0 | 0 | 111.8 | L30 L47 I50 L58 L59 Q60 F259 V273 H276 P278 | F28-L30 HydrophobicContact CB-CD2 4.42Å; F28-L30 HydrophobicContact CD1-CD2 3.25Å; F28-L30 HydrophobicContact CD2-CD2 4.27Å; F28-L30 HydrophobicContact CE1-CD2 3.39Å; F28-L30 HydrophobicContact CE2-CD2 4.36Å; F28-L30 HydrophobicContact CG-CD2 3.72Å; F28-L30 HydrophobicContact CZ-CD2 3.97Å; F28-L30 PolarHBondContact O-N 3.21Å; F28-L47 HydrophobicContact CE1-CD2 3.73Å; F28-L47 HydrophobicContact CZ-CD2 4.33Å; F28-I50 HydrophobicContact CD1-CG2 3.99Å; F28-I50 HydrophobicContact CE1-CB 4.46Å; F28-I50 HydrophobicContact CE1-CD1 3.79Å; F28-I50 HydrophobicContact CE1-CG2 3.89Å; F28-I50 HydrophobicContact CZ-CD1 4.04Å; F28-L58 PolarHBondContact N-O 2.92Å; F28-L59 HydrophobicContact CB-CD2 4.39Å; F28-L59 WeakPolarHBondContact O-CA 3.44Å; F28-Q60 PolarHBondContact O-N 2.62Å; F28-F259 HydrophobicContact CE2-CE1 4.23Å; F28-F259 HydrophobicContact CZ-CE1 4.03Å; F28-V273 HydrophobicContact CZ-CG1 4.42Å; F28-H276 VanDerWaalsContact CE2-O 3.31Å; F28-H276 WeakPolarHBondContact CE2-O 3.24Å; F28-P278 HydrophobicContact CB-CB 4Å; F28-P278 HydrophobicContact CB-CG 4.25Å; F28-P278 HydrophobicContact CD1-CB 4.45Å; F28-P278 HydrophobicContact CD1-CG 3.81Å; F28-P278 HydrophobicContact CD2-CB 4.09Å; F28-P278 HydrophobicContact CD2-CG 3.65Å; F28-P278 HydrophobicContact CE1-CG 4Å; F28-P278 HydrophobicContact CE2-CG 3.87Å; F28-P278 HydrophobicContact CG-CB 3.95Å; F28-P278 HydrophobicContact CG-CG 3.64Å; F28-P278 HydrophobicContact CZ-CG 4.04Å |
| 29 | N | 98.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 120.6 | 163.3 | -174.8 | -21.7 | 0 | 0 | 0 | 109.2 | H31 Q60 E61 D191 S274 H276 | N29-H31 PolarHBondContact OD1-N 2.97Å; N29-Q60 HydrophobicContact CB-CB 4.46Å; N29-E61 PolarHBondContact ND2-OE1 3.47Å; N29-E61 WeakPolarHBondContact OD1-CB 3.5Å; N29-E61 WeakPolarHBondContact OD1-CG 3.46Å; N29-E61 PolarHBondContact OD1-OE1 2.93Å; N29-D191 HydrophobicContact CB-CB 4.31Å; N29-D191 PolarHBondContact ND2-OD2 3.47Å; N29-S274 PolarHBondContact O-OG 3.49Å; N29-H276 HydrophobicContact CB-CB 4.06Å |
| 30 | L | 98.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 5.7 | -176.1 | -62.2 | -173.4 | 0 | 0 | 0 | 114.3 | F28 F33 K37 L47 L59 Q60 V62 | F28-L30 HydrophobicContact CB-CD2 4.42Å; F28-L30 HydrophobicContact CD1-CD2 3.25Å; F28-L30 HydrophobicContact CD2-CD2 4.27Å; F28-L30 HydrophobicContact CE1-CD2 3.39Å; F28-L30 HydrophobicContact CE2-CD2 4.36Å; F28-L30 HydrophobicContact CG-CD2 3.72Å; F28-L30 HydrophobicContact CZ-CD2 3.97Å; F28-L30 PolarHBondContact O-N 3.21Å; L30-F33 HydrophobicContact CB-CB 3.58Å; L30-F33 HydrophobicContact CB-CG 4.39Å; L30-F33 HydrophobicContact CD1-CB 3.8Å; L30-F33 HydrophobicContact CD1-CD1 4.3Å; L30-F33 HydrophobicContact CD1-CD2 4.07Å; L30-F33 HydrophobicContact CD1-CG 3.79Å; L30-F33 HydrophobicContact CG-CB 4.37Å; L30-K37 PolarHBondContact O-NZ 2.83Å; L30-L47 HydrophobicContact CD2-CD2 3.69Å; L30-L59 HydrophobicContact CD1-CB 3.99Å; L30-L59 HydrophobicContact CD1-CD1 4.11Å; L30-L59 HydrophobicContact CD1-CD2 4.16Å; L30-L59 HydrophobicContact CD1-CG 4.31Å; L30-L59 HydrophobicContact CD2-CD2 4.24Å; L30-L59 HydrophobicContact CG-CB 4.33Å; L30-L59 HydrophobicContact CG-CD2 4.33Å; L30-Q60 PolarHBondContact N-O 3.21Å; L30-Q60 VanDerWaalsContact N-O 3.14Å; L30-V62 HydrophobicContact CD1-CG2 4.38Å |
| 31 | H | 96.4 | Very high | 95.3 | Very high | 59 Ų | 59 | 42.6 Ų | 42.6 | 27% | 0.273 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.5 | 82.5 | -179.3 | -173.6 | -150.9 | 0 | 0 | 0 | 112.4 | N29 F33 K37 D275 | N29-H31 PolarHBondContact OD1-N 2.97Å; H31-F33 PolarHBondContact O-N 3.26Å; H31-K37 PolarHBondContact O-NZ 3.22Å; H31-D275 WeakPolarHBondContact CB-OD1 3.48Å; H31-D275 IonicContact CD2-OD1 2.72Å; H31-D275 IonicContact CD2-OD2 3.58Å; H31-D275 IonicContact CG-OD1 3.58Å; H31-D275 VanDerWaalsContact CG-OD1 3.23Å; H31-D275 IonicContact ND1-OD1 3.29Å |
| 32 | H | 93.1 | Very high | 96.9 | Very high | 83 Ų | 83 | 43.8 Ų | 43.8 | 38% | 0.384 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 52.5 | 50.3 | 179.6 | -54 | -28.5 | 0 | 0 | 0 | 114.5 | G34 E61 Y100 | H32-G34 PolarHBondContact O-N 3.33Å; H32-E61 CarbonylContact C-O 3.52Å; H32-E61 IonicContact CE1-OE2 2.91Å; H32-E61 PolarHBondContact CE1-OE2 3.16Å; H32-E61 VanDerWaalsContact CE1-OE2 3.29Å; H32-E61 IonicContact CG-OE2 3.48Å; H32-E61 PolarHBondContact N-OE2 2.95Å; H32-E61 IonicContact ND1-OE2 2.81Å; H32-E61 PolarHBondContact ND1-OE2 3.34Å; H32-Y100 AromaticContact CE1-CE2 3.99Å; H32-Y100 AromaticContact CE1-CZ 3.97Å; H32-Y100 PolarHBondContact CE1-OH 2.91Å; H32-Y100 PolarHBondContact ND1-OH 3.02Å |
| 33 | F | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 126.9 | 178.4 | -180 | -93.8 | 0 | 0 | 0 | 111.6 | L30 H31 K37 M44 L47 E61 V62 R63 A69 L73 | L30-F33 HydrophobicContact CB-CB 3.58Å; L30-F33 HydrophobicContact CB-CG 4.39Å; L30-F33 HydrophobicContact CD1-CB 3.8Å; L30-F33 HydrophobicContact CD1-CD1 4.3Å; L30-F33 HydrophobicContact CD1-CD2 4.07Å; L30-F33 HydrophobicContact CD1-CG 3.79Å; L30-F33 HydrophobicContact CG-CB 4.37Å; H31-F33 PolarHBondContact O-N 3.26Å; F33-K37 HydrophobicContact CD2-CB 4.29Å; F33-K37 HydrophobicContact CD2-CD 3.95Å; F33-K37 HydrophobicContact CD2-CG 4.13Å; F33-M44 HydrophobicContact CE2-SD 3.76Å; F33-M44 HydrophobicContact CZ-CE 4.43Å; F33-M44 HydrophobicContact CZ-SD 4.01Å; F33-L47 HydrophobicContact CD2-CD1 3.84Å; F33-L47 HydrophobicContact CE2-CD1 3.64Å; F33-E61 PolarHBondContact N-O 2.87Å; F33-V62 HydrophobicContact CD1-CG1 4.17Å; F33-V62 HydrophobicContact CD1-CG2 4.44Å; F33-R63 PolarHBondContact O-N 3.36Å; F33-A69 HydrophobicContact CD1-CB 4.47Å; F33-A69 HydrophobicContact CE1-CB 3.75Å; F33-A69 HydrophobicContact CZ-CB 4.2Å; F33-L73 HydrophobicContact CE1-CD2 4.29Å; F33-L73 HydrophobicContact CE2-CD2 4.49Å; F33-L73 HydrophobicContact CZ-CB 4.05Å; F33-L73 HydrophobicContact CZ-CD2 4.01Å; F33-L73 HydrophobicContact CZ-CG 4.48Å |
| 34 | G | 97.2 | Very high | 97.6 | Very high | 7 Ų | 7 | 38.7 Ų | 38.7 | 7% | 0.072 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -170.1 | -158.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | H32 S36 K37 S38 | H32-G34 PolarHBondContact O-N 3.33Å; G34-S36 VanDerWaalsContact C-N 3.32Å; G34-S36 PolarHBondContact O-N 3.42Å; G34-K37 PolarHBondContact O-N 3.06Å; G34-S38 WeakPolarHBondContact O-CB 3.17Å; G34-S38 PolarHBondContact O-N 3.14Å; G34-S38 PolarHBondContact O-OG 3.4Å |
| 35 | E | 95.6 | Very high | 97.6 | Very high | 78 Ų | 78 | 41.1 Ų | 41.1 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -55.3 | -43.3 | -175.7 | -70.9 | -171.3 | -144.7 | 0 | 0 | 112.9 | S38 N39 K66 | E35-S38 WeakPolarHBondContact CA-OG 3.41Å; E35-S38 PolarHBondContact O-N 3.29Å; E35-S38 PolarHBondContact O-OG 3.07Å; E35-S38 VanDerWaalsContact O-OG 3.1Å; E35-N39 VanDerWaalsContact O-CG 3.27Å; E35-N39 PolarHBondContact O-N 2.68Å; E35-N39 PolarHBondContact O-ND2 3.15Å; E35-N39 VanDerWaalsContact O-ND2 3.1Å; E35-K66 VanDerWaalsContact OE1-CD 3.3Å; E35-K66 WeakPolarHBondContact OE1-CD 3.45Å; E35-K66 VanDerWaalsContact OE1-CE 3.31Å; E35-K66 WeakPolarHBondContact OE1-CE 3.47Å; E35-K66 IonicContact OE1-NZ 2.77Å; E35-K66 PolarHBondContact OE1-NZ 2.86Å; E35-K66 IonicContact OE2-NZ 3.38Å; E35-K66 PolarHBondContact OE2-NZ 2.79Å |
| 36 | S | 95.8 | Very high | 97.6 | Very high | 92 Ų | 92 | 42.3 Ų | 42.3 | 64% | 0.643 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -61.3 | -48 | -179.6 | -177.9 | 0 | 0 | 0 | 0 | 112.5 | G34 | G34-S36 VanDerWaalsContact C-N 3.32Å; G34-S36 PolarHBondContact O-N 3.42Å |
| 37 | K | 96.8 | Very high | 97.6 | Very high | 20 Ų | 20 | 42.3 Ų | 42.3 | 9% | 0.087 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.6 | -40 | -179.7 | -169.5 | 169.7 | -75.3 | -172.5 | 0 | 111.5 | L30 H31 F33 G34 N39 K40 I43 N272 V273 | L30-K37 PolarHBondContact O-NZ 2.83Å; H31-K37 PolarHBondContact O-NZ 3.22Å; F33-K37 HydrophobicContact CD2-CB 4.29Å; F33-K37 HydrophobicContact CD2-CD 3.95Å; F33-K37 HydrophobicContact CD2-CG 4.13Å; G34-K37 PolarHBondContact O-N 3.06Å; K37-N39 PolarHBondContact O-N 2.79Å; K37-K40 WeakPolarHBondContact O-CB 3.3Å; K37-K40 PolarHBondContact O-N 3.22Å; K37-K40 VanDerWaalsContact O-N 3.09Å; K37-I43 HydrophobicContact CD-CG2 4.05Å; K37-I43 HydrophobicContact CG-CD1 4.18Å; K37-I43 HydrophobicContact CG-CG2 3.69Å; K37-N272 WeakPolarHBondContact CE-O 3.36Å; K37-V273 PolarHBondContact NZ-O 3.48Å |
| 38 | S | 97.7 | Very high | 97.6 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 4% | 0.035 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.4 | -11.7 | -179.5 | 62.4 | 0 | 0 | 0 | 0 | 115.5 | G34 E35 M44 A69 | G34-S38 WeakPolarHBondContact O-CB 3.17Å; G34-S38 PolarHBondContact O-N 3.14Å; G34-S38 PolarHBondContact O-OG 3.4Å; E35-S38 WeakPolarHBondContact CA-OG 3.41Å; E35-S38 PolarHBondContact O-N 3.29Å; E35-S38 PolarHBondContact O-OG 3.07Å; E35-S38 VanDerWaalsContact O-OG 3.1Å; S38-M44 VanDerWaalsContact CA-SD 3.6Å; S38-A69 WeakPolarHBondContact OG-CB 3.26Å |
| 39 | N | 97.6 | Very high | 97.6 | Very high | 100 Ų | 100 | 47.1 Ų | 47.1 | 54% | 0.535 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -2 | 172.6 | -71.5 | -28.9 | 0 | 0 | 0 | 113.5 | E35 K37 K72 | E35-N39 VanDerWaalsContact O-CG 3.27Å; E35-N39 PolarHBondContact O-N 2.68Å; E35-N39 PolarHBondContact O-ND2 3.15Å; E35-N39 VanDerWaalsContact O-ND2 3.1Å; K37-N39 PolarHBondContact O-N 2.79Å; N39-K72 PolarHBondContact OD1-NZ 2.83Å |
| 40 | K | 98.2 | Very high | 97.6 | Very high | 89 Ų | 89 | 47.2 Ų | 47.2 | 39% | 0.387 | 24% | 0.242 | S | C | . | . | trans | -100.6 | 103.9 | 178.8 | -63.6 | 175.5 | 176.5 | -176 | 0 | 109.6 | K37 D42 I43 M44 | K37-K40 WeakPolarHBondContact O-CB 3.3Å; K37-K40 PolarHBondContact O-N 3.22Å; K37-K40 VanDerWaalsContact O-N 3.09Å; K40-D42 VanDerWaalsContact C-N 3.35Å; K40-D42 PolarHBondContact O-N 3.14Å; K40-I43 HydrophobicContact CB-CB 4.15Å; K40-I43 HydrophobicContact CB-CD1 3.77Å; K40-I43 HydrophobicContact CB-CG1 4.01Å; K40-I43 HydrophobicContact CD-CD1 3.35Å; K40-I43 HydrophobicContact CD-CG1 4.4Å; K40-I43 HydrophobicContact CG-CD1 4.21Å; K40-I43 PolarHBondContact O-N 2.9Å; K40-M44 WeakPolarHBondContact O-CG 3.41Å; K40-M44 PolarHBondContact O-N 3.07Å | ||
| 41 | N | 97.7 | Very high | 97.6 | Very high | 126 Ų | 126 | 47.3 Ų | 47.3 | 67% | 0.674 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -60.8 | -40.3 | -171.3 | -75.7 | -18.8 | 0 | 0 | 0 | 113.4 | M44 I45 | N41-M44 PolarHBondContact O-N 3.43Å; N41-I45 WeakPolarHBondContact O-CB 3.32Å; N41-I45 VanDerWaalsContact O-CG1 3.24Å; N41-I45 WeakPolarHBondContact O-CG1 3.41Å; N41-I45 PolarHBondContact O-N 2.91Å |
| 42 | D | 97.6 | Very high | 97.7 | Very high | 104 Ų | 104 | 45.2 Ų | 45.2 | 56% | 0.556 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -60.3 | -43.8 | 177 | 60.4 | -43.1 | 0 | 0 | 0 | 112.1 | K40 T46 | K40-D42 VanDerWaalsContact C-N 3.35Å; K40-D42 PolarHBondContact O-N 3.14Å; D42-T46 WeakPolarHBondContact O-CB 3.38Å; D42-T46 PolarHBondContact O-N 2.73Å; D42-T46 PolarHBondContact O-OG1 2.84Å |
| 43 | I | 98.4 | Very high | 97.9 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65 | -46.4 | 174.8 | -61.3 | 177.5 | 0 | 0 | 0 | 110.2 | K37 K40 I45 T46 L47 N272 V273 | K37-I43 HydrophobicContact CD-CG2 4.05Å; K37-I43 HydrophobicContact CG-CD1 4.18Å; K37-I43 HydrophobicContact CG-CG2 3.69Å; K40-I43 HydrophobicContact CB-CB 4.15Å; K40-I43 HydrophobicContact CB-CD1 3.77Å; K40-I43 HydrophobicContact CB-CG1 4.01Å; K40-I43 HydrophobicContact CD-CD1 3.35Å; K40-I43 HydrophobicContact CD-CG1 4.4Å; K40-I43 HydrophobicContact CG-CD1 4.21Å; K40-I43 PolarHBondContact O-N 2.9Å; I43-I45 VanDerWaalsContact C-N 3.34Å; I43-I45 PolarHBondContact O-N 2.8Å; I43-T46 PolarHBondContact O-N 3.14Å; I43-T46 VanDerWaalsContact O-N 3.13Å; I43-L47 HydrophobicContact CG2-CD1 3.98Å; I43-L47 HydrophobicContact CG2-CG 4.14Å; I43-L47 WeakPolarHBondContact O-CG 3.4Å; I43-L47 PolarHBondContact O-N 3.15Å; I43-N272 HydrophobicContact CD1-CB 4.1Å; I43-N272 WeakPolarHBondContact CD1-O 3.38Å; I43-V273 HydrophobicContact CG2-CG2 4.44Å |
| 44 | M | 98.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.02 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.5 | -39 | -179 | -69.8 | -66 | -77.6 | 0 | 0 | 112.9 | F33 S38 K40 N41 L47 A48 K72 L73 T76 | F33-M44 HydrophobicContact CE2-SD 3.76Å; F33-M44 HydrophobicContact CZ-CE 4.43Å; F33-M44 HydrophobicContact CZ-SD 4.01Å; S38-M44 VanDerWaalsContact CA-SD 3.6Å; K40-M44 WeakPolarHBondContact O-CG 3.41Å; K40-M44 PolarHBondContact O-N 3.07Å; N41-M44 PolarHBondContact O-N 3.43Å; M44-L47 HydrophobicContact SD-CD1 4.32Å; M44-A48 WeakPolarHBondContact O-CB 3.46Å; M44-A48 PolarHBondContact O-N 3.42Å; M44-K72 HydrophobicContact CE-CB 4.02Å; M44-L73 HydrophobicContact CE-CB 3.77Å; M44-L73 HydrophobicContact CE-CD1 3.9Å; M44-L73 HydrophobicContact CE-CG 4.46Å; M44-L73 HydrophobicContact SD-CD1 4.14Å; M44-T76 HydrophobicContact CB-CG2 4.24Å |
| 45 | I | 98.6 | Very high | 98 | Very high | 92 Ų | 92 | 44.2 Ų | 44.2 | 47% | 0.472 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.8 | -41.9 | 174.1 | -68.8 | 165.4 | 0 | 0 | 0 | 110.3 | N41 I43 A48 R49 Y80 | N41-I45 WeakPolarHBondContact O-CB 3.32Å; N41-I45 VanDerWaalsContact O-CG1 3.24Å; N41-I45 WeakPolarHBondContact O-CG1 3.41Å; N41-I45 PolarHBondContact O-N 2.91Å; I43-I45 VanDerWaalsContact C-N 3.34Å; I43-I45 PolarHBondContact O-N 2.8Å; I45-A48 PolarHBondContact O-N 3.08Å; I45-R49 WeakPolarHBondContact O-CB 3.49Å; I45-R49 PolarHBondContact O-N 2.85Å; I45-Y80 HydrophobicContact CG2-CD2 4.48Å; I45-Y80 HydrophobicContact CG2-CE2 4.39Å |
| 46 | T | 98.8 | Very high | 98.2 | Very high | 25 Ų | 25 | 40.5 Ų | 40.5 | 15% | 0.153 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.6 | -45.7 | 177.1 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | D42 I43 A48 R49 I50 Y263 L265 V273 | D42-T46 WeakPolarHBondContact O-CB 3.38Å; D42-T46 PolarHBondContact O-N 2.73Å; D42-T46 PolarHBondContact O-OG1 2.84Å; I43-T46 PolarHBondContact O-N 3.14Å; I43-T46 VanDerWaalsContact O-N 3.13Å; T46-A48 PolarHBondContact O-N 3.4Å; T46-R49 WeakPolarHBondContact O-CB 3.22Å; T46-R49 PolarHBondContact O-N 3.29Å; T46-I50 HydrophobicContact CG2-CD1 4.14Å; T46-I50 VanDerWaalsContact O-CG1 3.32Å; T46-I50 WeakPolarHBondContact O-CG1 3.24Å; T46-I50 PolarHBondContact O-N 2.75Å; T46-Y263 HydrophobicContact CG2-CD2 4.04Å; T46-Y263 HydrophobicContact CG2-CE2 4.29Å; T46-L265 HydrophobicContact CG2-CD1 4.39Å; T46-V273 HydrophobicContact CG2-CG1 4.25Å; T46-V273 HydrophobicContact CG2-CG2 3.87Å |
| 47 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.7 | -44.9 | 174.2 | -70.3 | 177.7 | 0 | 0 | 0 | 111.7 | F28 L30 F33 I43 M44 R49 I50 I51 L73 V273 | F28-L47 HydrophobicContact CE1-CD2 3.73Å; F28-L47 HydrophobicContact CZ-CD2 4.33Å; L30-L47 HydrophobicContact CD2-CD2 3.69Å; F33-L47 HydrophobicContact CD2-CD1 3.84Å; F33-L47 HydrophobicContact CE2-CD1 3.64Å; I43-L47 HydrophobicContact CG2-CD1 3.98Å; I43-L47 HydrophobicContact CG2-CG 4.14Å; I43-L47 WeakPolarHBondContact O-CG 3.4Å; I43-L47 PolarHBondContact O-N 3.15Å; M44-L47 HydrophobicContact SD-CD1 4.32Å; L47-R49 VanDerWaalsContact C-N 3.34Å; L47-R49 PolarHBondContact O-N 3.41Å; L47-I50 PolarHBondContact O-N 2.82Å; L47-I51 HydrophobicContact CB-CD1 4.41Å; L47-I51 WeakPolarHBondContact O-CB 3.34Å; L47-I51 WeakPolarHBondContact O-CD1 3.37Å; L47-I51 WeakPolarHBondContact O-CG1 3.4Å; L47-I51 PolarHBondContact O-N 3.24Å; L47-L73 HydrophobicContact CB-CD1 4.01Å; L47-L73 HydrophobicContact CD1-CD1 4.41Å; L47-V273 HydrophobicContact CD2-CG1 3.71Å; L47-V273 HydrophobicContact CG-CG1 4.31Å |
| 48 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.1 | -42.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M44 I45 T46 I50 I51 T52 T76 I77 Y80 | M44-A48 WeakPolarHBondContact O-CB 3.46Å; M44-A48 PolarHBondContact O-N 3.42Å; I45-A48 PolarHBondContact O-N 3.08Å; T46-A48 PolarHBondContact O-N 3.4Å; A48-I50 VanDerWaalsContact C-N 3.32Å; A48-I50 PolarHBondContact O-N 3.33Å; A48-I51 PolarHBondContact O-N 2.9Å; A48-T52 VanDerWaalsContact O-CB 3.29Å; A48-T52 WeakPolarHBondContact O-CB 3.43Å; A48-T52 WeakPolarHBondContact O-CG2 3.24Å; A48-T52 PolarHBondContact O-N 3.01Å; A48-T52 PolarHBondContact O-OG1 2.75Å; A48-T76 HydrophobicContact CB-CG2 3.9Å; A48-I77 HydrophobicContact CB-CG1 3.99Å; A48-Y80 HydrophobicContact CB-CG 4.08Å |
| 49 | R | 98.6 | Very high | 98.5 | Very high | 101 Ų | 101 | 35.1 Ų | 35.1 | 38% | 0.381 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.7 | -37.8 | 175.7 | -170.8 | 176.2 | -179.6 | -166.7 | -5.5 | 112.6 | I45 T46 L47 T52 Y80 Y263 | I45-R49 WeakPolarHBondContact O-CB 3.49Å; I45-R49 PolarHBondContact O-N 2.85Å; T46-R49 WeakPolarHBondContact O-CB 3.22Å; T46-R49 PolarHBondContact O-N 3.29Å; L47-R49 VanDerWaalsContact C-N 3.34Å; L47-R49 PolarHBondContact O-N 3.41Å; R49-T52 PolarHBondContact O-OG1 3.16Å; R49-Y80 HydrophobicContact CB-CE1 4.07Å; R49-Y80 HydrophobicContact CB-CE2 4.26Å; R49-Y80 WeakPolarHBondContact CD-OH 3.22Å; R49-Y80 HydrophobicContact CG-CE1 4.23Å; R49-Y80 WeakPolarHBondContact CG-OH 3.46Å; R49-Y263 HydrophobicContact CB-CE2 4.47Å; R49-Y263 HydrophobicContact CG-CE1 4.01Å; R49-Y263 HydrophobicContact CG-CE2 4.18Å; R49-Y263 WeakPolarHBondContact CG-OH 3.5Å; R49-Y263 VanDerWaalsContact NH1-CD1 3.26Å; R49-Y263 PolarHBondContact O-OH 2.76Å |
| 50 | I | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.015 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.8 | -55.2 | 174.3 | -64.6 | 168.5 | 0 | 0 | 0 | 110.5 | F28 T46 L47 A48 T52 R53 F257 F259 Y263 V273 P278 | F28-I50 HydrophobicContact CD1-CG2 3.99Å; F28-I50 HydrophobicContact CE1-CB 4.46Å; F28-I50 HydrophobicContact CE1-CD1 3.79Å; F28-I50 HydrophobicContact CE1-CG2 3.89Å; F28-I50 HydrophobicContact CZ-CD1 4.04Å; T46-I50 HydrophobicContact CG2-CD1 4.14Å; T46-I50 VanDerWaalsContact O-CG1 3.32Å; T46-I50 WeakPolarHBondContact O-CG1 3.24Å; T46-I50 PolarHBondContact O-N 2.75Å; L47-I50 PolarHBondContact O-N 2.82Å; A48-I50 VanDerWaalsContact C-N 3.32Å; A48-I50 PolarHBondContact O-N 3.33Å; I50-T52 VanDerWaalsContact C-N 3.33Å; I50-T52 PolarHBondContact O-N 2.76Å; I50-R53 VanDerWaalsContact O-CB 3.28Å; I50-R53 WeakPolarHBondContact O-CB 3.39Å; I50-R53 WeakPolarHBondContact O-CD 3.48Å; I50-R53 WeakPolarHBondContact O-CG 3.39Å; I50-R53 PolarHBondContact O-N 2.99Å; I50-R53 VanDerWaalsContact O-N 3.15Å; I50-F257 HydrophobicContact CG1-CE1 4.14Å; I50-F257 HydrophobicContact CG2-CD1 4.35Å; I50-F259 HydrophobicContact CD1-CB 3.91Å; I50-F259 HydrophobicContact CD1-CD1 3.86Å; I50-F259 HydrophobicContact CD1-CD2 4.23Å; I50-F259 HydrophobicContact CD1-CE1 4.45Å; I50-F259 HydrophobicContact CD1-CG 3.74Å; I50-F259 HydrophobicContact CG1-CB 4.13Å; I50-Y263 HydrophobicContact CD1-CE2 4.48Å; I50-Y263 HydrophobicContact CG1-CE2 3.75Å; I50-V273 HydrophobicContact CD1-CG1 4.19Å; I50-P278 HydrophobicContact CG2-CB 4.46Å; I50-P278 HydrophobicContact CG2-CG 3.54Å |
| 51 | I | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.9 | -38.2 | -171.5 | -67 | 164.9 | 0 | 0 | 0 | 111.4 | L47 A48 R53 C54 C57 L59 L73 I77 V107 | L47-I51 HydrophobicContact CB-CD1 4.41Å; L47-I51 WeakPolarHBondContact O-CB 3.34Å; L47-I51 WeakPolarHBondContact O-CD1 3.37Å; L47-I51 WeakPolarHBondContact O-CG1 3.4Å; L47-I51 PolarHBondContact O-N 3.24Å; A48-I51 PolarHBondContact O-N 2.9Å; I51-R53 PolarHBondContact O-N 2.83Å; I51-R53 VanDerWaalsContact O-N 3.09Å; I51-C54 WeakPolarHBondContact O-CB 3.34Å; I51-C54 PolarHBondContact O-N 3.02Å; I51-C57 HydrophobicContact CG2-CB 4.16Å; I51-L59 HydrophobicContact CD1-CD1 4.12Å; I51-L59 HydrophobicContact CD1-CD2 3.93Å; I51-L59 HydrophobicContact CG1-CD2 4.07Å; I51-L73 HydrophobicContact CD1-CD1 4.21Å; I51-L73 HydrophobicContact CD1-CD2 3.98Å; I51-L73 HydrophobicContact CD1-CG 4.37Å; I51-I77 HydrophobicContact CB-CD1 4.2Å; I51-I77 HydrophobicContact CD1-CD1 3.95Å; I51-I77 HydrophobicContact CG2-CD1 3.75Å; I51-V107 HydrophobicContact CG2-CB 4.15Å; I51-V107 HydrophobicContact CG2-CG1 3.92Å |
| 52 | T | 98.3 | Very high | 98.6 | Very high | 14 Ų | 14 | 21 Ų | 21 | 9% | 0.086 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -2 | 179.8 | 56.3 | 0 | 0 | 0 | 0 | 113.7 | A48 R49 I50 C54 I77 Y80 D81 Y86 R109 | A48-T52 VanDerWaalsContact O-CB 3.29Å; A48-T52 WeakPolarHBondContact O-CB 3.43Å; A48-T52 WeakPolarHBondContact O-CG2 3.24Å; A48-T52 PolarHBondContact O-N 3.01Å; A48-T52 PolarHBondContact O-OG1 2.75Å; R49-T52 PolarHBondContact O-OG1 3.16Å; I50-T52 VanDerWaalsContact C-N 3.33Å; I50-T52 PolarHBondContact O-N 2.76Å; T52-C54 VanDerWaalsContact C-N 3.29Å; T52-I77 HydrophobicContact CG2-CG2 3.83Å; T52-Y80 HydrophobicContact CG2-CD1 4.1Å; T52-D81 HydrophobicContact CG2-CB 3.63Å; T52-Y86 HydrophobicContact CG2-CE1 4.48Å; T52-Y86 HydrophobicContact CG2-CE2 4.3Å; T52-R109 PolarHBondContact O-NH2 3.45Å |
| 53 | R | 98 | Very high | 98.6 | Very high | 60 Ų | 60 | 20 Ų | 20 | 23% | 0.226 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -24.1 | 166.1 | -63.8 | 166.4 | 53.9 | 81.2 | 1.7 | 112.4 | R24 I50 I51 F257 E280 | R24-R53 WeakPolarHBondContact CD-O 3.29Å; R24-R53 PolarHBondContact NH1-O 3.46Å; I50-R53 VanDerWaalsContact O-CB 3.28Å; I50-R53 WeakPolarHBondContact O-CB 3.39Å; I50-R53 WeakPolarHBondContact O-CD 3.48Å; I50-R53 WeakPolarHBondContact O-CG 3.39Å; I50-R53 PolarHBondContact O-N 2.99Å; I50-R53 VanDerWaalsContact O-N 3.15Å; I51-R53 PolarHBondContact O-N 2.83Å; I51-R53 VanDerWaalsContact O-N 3.09Å; R53-F257 VanDerWaalsContact CZ-CD2 3.44Å; R53-E280 IonicContact CZ-OE2 3.51Å; R53-E280 IonicContact NE-OE2 3.3Å; R53-E280 PolarHBondContact NE-OE2 3.26Å; R53-E280 VanDerWaalsContact NH2-CD 3.32Å; R53-E280 IonicContact NH2-OE1 2.77Å; R53-E280 PolarHBondContact NH2-OE1 3.26Å; R53-E280 IonicContact NH2-OE2 3.45Å; R53-E280 PolarHBondContact NH2-OE2 3.1Å |
| 54 | C | 98.4 | Very high | 98.4 | Very high | 4 Ų | 4 | 20.1 Ų | 20.1 | 3% | 0.027 | 9% | 0.089 | C | C | . | . | trans | -103.3 | 146.8 | -167.5 | -42.8 | 0 | 0 | 0 | 0 | 110.8 | C26 I51 T52 C57 R109 | C26-C54 HydrophobicContact CB-CB 3.89Å; C26-C54 WeakPolarHBondContact CB-SG 3.46Å; C26-C54 WeakPolarHBondContact SG-CB 3.27Å; C26-C54 CovalentContact SG-SG 2.03Å; C26-C54 PolarHBondContact SG-SG 3Å; I51-C54 WeakPolarHBondContact O-CB 3.34Å; I51-C54 PolarHBondContact O-N 3.02Å; T52-C54 VanDerWaalsContact C-N 3.29Å; C54-C57 HydrophobicContact CB-CB 3.96Å; C54-R109 PolarHBondContact O-NE 3.32Å | ||
| 55 | D | 98.5 | Very high | 98 | Very high | 7 Ų | 7 | 30 Ų | 30 | 4% | 0.037 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -82.4 | -33.1 | 168.3 | -62 | -69.5 | 0 | 0 | 0 | 110.8 | F23 R24 Y108 R109 T112 | F23-D55 VanDerWaalsContact CA-OD2 3.24Å; F23-D55 WeakPolarHBondContact CA-OD2 3.35Å; F23-D55 HydrophobicContact CD2-CB 3.94Å; F23-D55 HydrophobicContact CE1-CB 4.39Å; F23-D55 HydrophobicContact CE2-CB 3.68Å; F23-D55 HydrophobicContact CG-CB 4.4Å; F23-D55 HydrophobicContact CZ-CB 3.92Å; R24-D55 PolarHBondContact N-OD2 2.96Å; R24-D55 PolarHBondContact O-N 2.76Å; D55-Y108 CarbonylContact O-C 3.54Å; D55-Y108 VanDerWaalsContact O-CA 3.23Å; D55-Y108 WeakPolarHBondContact O-CA 3.17Å; D55-R109 PolarHBondContact O-N 3Å; D55-R109 WeakPolarHBondContact OD1-CD 3.39Å; D55-R109 IonicContact OD1-CZ 3.72Å; D55-R109 IonicContact OD1-NE 3.98Å; D55-R109 IonicContact OD1-NH1 3.98Å; D55-R109 PolarHBondContact OD1-NH1 2.99Å; D55-T112 WeakPolarHBondContact OD1-CG2 3.42Å |
| 56 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 125.9 | 169.4 | -175.8 | 0 | 0 | 0 | 0 | 108.8 | F23 R24 I25 C26 F106 V113 F141 L153 | F23-V56 HydrophobicContact CZ-CG2 4.11Å; R24-V56 PolarHBondContact O-N 3.05Å; I25-V56 CarbonylContact C-O 3.22Å; I25-V56 WeakPolarHBondContact CA-O 3.4Å; C26-V56 PolarHBondContact N-O 2.7Å; V56-F106 HydrophobicContact CG1-CD1 3.99Å; V56-V113 HydrophobicContact CG2-CB 4.47Å; V56-V113 HydrophobicContact CG2-CG1 3.85Å; V56-V113 HydrophobicContact CG2-CG2 3.93Å; V56-F141 HydrophobicContact CG1-CE1 4.25Å; V56-F141 HydrophobicContact CG1-CE2 3.9Å; V56-F141 HydrophobicContact CG1-CZ 3.74Å; V56-F141 HydrophobicContact CG2-CD1 4.36Å; V56-F141 HydrophobicContact CG2-CE1 4.34Å; V56-L153 HydrophobicContact CG1-CD1 3.73Å |
| 57 | C | 98.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 118.4 | 177.8 | -168 | 0 | 0 | 0 | 0 | 110 | C26 I51 C54 F106 V107 | C26-C57 HydrophobicContact CB-CB 4.3Å; C26-C57 CarbonylContact O-C 3.59Å; C26-C57 WeakPolarHBondContact O-CA 3.43Å; I51-C57 HydrophobicContact CG2-CB 4.16Å; C54-C57 HydrophobicContact CB-CB 3.96Å; C57-F106 CarbonylContact O-C 3.36Å; C57-F106 WeakPolarHBondContact O-CA 3.26Å; C57-V107 PolarHBondContact N-O 3.37Å; C57-V107 PolarHBondContact O-N 3.22Å |
| 58 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 127.5 | 166.4 | 168.5 | 66 | 0 | 0 | 0 | 109.2 | C26 A27 F28 Q60 Y104 F106 P155 L189 | C26-L58 PolarHBondContact O-N 2.75Å; A27-L58 CarbonylContact C-O 3.59Å; A27-L58 WeakPolarHBondContact CA-O 3.19Å; A27-L58 HydrophobicContact CB-CB 4.17Å; A27-L58 HydrophobicContact CB-CD2 3.98Å; A27-L58 HydrophobicContact CB-CG 4.43Å; F28-L58 PolarHBondContact N-O 2.92Å; L58-Q60 HydrophobicContact CD1-CG 4.31Å; L58-Q60 HydrophobicContact CD2-CG 4.08Å; L58-Q60 HydrophobicContact CG-CG 3.95Å; L58-Y104 HydrophobicContact CD1-CD1 4.17Å; L58-F106 HydrophobicContact CB-CD1 4.18Å; L58-F106 HydrophobicContact CB-CE1 3.86Å; L58-F106 HydrophobicContact CB-CZ 4.5Å; L58-F106 HydrophobicContact CD1-CD1 4.48Å; L58-F106 HydrophobicContact CD1-CE1 4.06Å; L58-F106 HydrophobicContact CD1-CE2 4.17Å; L58-F106 HydrophobicContact CD1-CZ 3.91Å; L58-F106 HydrophobicContact CG-CE1 4.47Å; L58-P155 HydrophobicContact CD1-CB 3.59Å; L58-P155 HydrophobicContact CD1-CG 4.41Å; L58-P155 HydrophobicContact CD2-CB 3.4Å; L58-P155 HydrophobicContact CG-CB 4.13Å; L58-L189 HydrophobicContact CD2-CD2 4.26Å; L58-L189 HydrophobicContact CD2-CG 3.92Å |
| 59 | L | 98.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.4 | 171.3 | -49.7 | 177.5 | 0 | 0 | 0 | 109.3 | F28 L30 I51 V62 L73 V105 V107 | F28-L59 HydrophobicContact CB-CD2 4.39Å; F28-L59 WeakPolarHBondContact O-CA 3.44Å; L30-L59 HydrophobicContact CD1-CB 3.99Å; L30-L59 HydrophobicContact CD1-CD1 4.11Å; L30-L59 HydrophobicContact CD1-CD2 4.16Å; L30-L59 HydrophobicContact CD1-CG 4.31Å; L30-L59 HydrophobicContact CD2-CD2 4.24Å; L30-L59 HydrophobicContact CG-CB 4.33Å; L30-L59 HydrophobicContact CG-CD2 4.33Å; I51-L59 HydrophobicContact CD1-CD1 4.12Å; I51-L59 HydrophobicContact CD1-CD2 3.93Å; I51-L59 HydrophobicContact CG1-CD2 4.07Å; L59-V62 HydrophobicContact CB-CG2 4.1Å; L59-L73 HydrophobicContact CD1-CD2 3.85Å; L59-V105 HydrophobicContact CB-CB 4.26Å; L59-V105 WeakPolarHBondContact CB-O 3.14Å; L59-V105 PolarHBondContact N-O 3.48Å; L59-V105 PolarHBondContact O-N 3.43Å; L59-V107 HydrophobicContact CD1-CG2 3.62Å; L59-V107 HydrophobicContact CG-CG2 4.34Å |
| 60 | Q | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 166.8 | 178.9 | -52.5 | 176.6 | -69.9 | 0 | 0 | 110.3 | F28 N29 L30 L58 V62 Y104 Q156 H157 G190 | F28-Q60 PolarHBondContact O-N 2.62Å; N29-Q60 HydrophobicContact CB-CB 4.46Å; L30-Q60 PolarHBondContact N-O 3.21Å; L30-Q60 VanDerWaalsContact N-O 3.14Å; L58-Q60 HydrophobicContact CD1-CG 4.31Å; L58-Q60 HydrophobicContact CD2-CG 4.08Å; L58-Q60 HydrophobicContact CG-CG 3.95Å; Q60-V62 PolarHBondContact O-N 3.39Å; Q60-Y104 HydrophobicContact CG-CD1 4.11Å; Q60-Y104 HydrophobicContact CG-CE1 4.25Å; Q60-Q156 PolarHBondContact NE2-O 3.31Å; Q60-H157 HydrophobicContact CB-CB 4.45Å; Q60-G190 VanDerWaalsContact OE1-CA 3.27Å |
| 61 | E | 98.3 | Very high | 97.2 | Very high | 16 Ų | 16 | 34.4 Ų | 34.4 | 8% | 0.075 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 56.6 | 33.5 | -173.2 | -68 | -159.3 | -156.6 | 0 | 0 | 115.1 | N29 H32 F33 R63 H157 | N29-E61 PolarHBondContact ND2-OE1 3.47Å; N29-E61 WeakPolarHBondContact OD1-CB 3.5Å; N29-E61 WeakPolarHBondContact OD1-CG 3.46Å; N29-E61 PolarHBondContact OD1-OE1 2.93Å; H32-E61 CarbonylContact C-O 3.52Å; H32-E61 IonicContact CE1-OE2 2.91Å; H32-E61 PolarHBondContact CE1-OE2 3.16Å; H32-E61 VanDerWaalsContact CE1-OE2 3.29Å; H32-E61 IonicContact CG-OE2 3.48Å; H32-E61 PolarHBondContact N-OE2 2.95Å; H32-E61 IonicContact ND1-OE2 2.81Å; H32-E61 PolarHBondContact ND1-OE2 3.34Å; F33-E61 PolarHBondContact N-O 2.87Å; E61-R63 PolarHBondContact O-N 2.81Å; E61-H157 WeakPolarHBondContact CG-CE1 3.39Å; E61-H157 IonicContact OE1-CE1 2.89Å; E61-H157 PolarHBondContact OE1-CE1 3.46Å; E61-H157 VanDerWaalsContact OE1-CE1 3.3Å; E61-H157 IonicContact OE1-NE2 3.77Å |
| 62 | V | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 114.3 | 174.3 | -179.2 | 0 | 0 | 0 | 0 | 109.9 | L30 F33 L59 Q60 D64 I70 E102 Q103 V105 | L30-V62 HydrophobicContact CD1-CG2 4.38Å; F33-V62 HydrophobicContact CD1-CG1 4.17Å; F33-V62 HydrophobicContact CD1-CG2 4.44Å; L59-V62 HydrophobicContact CB-CG2 4.1Å; Q60-V62 PolarHBondContact O-N 3.39Å; V62-D64 HydrophobicContact CG1-CB 4.13Å; V62-I70 HydrophobicContact CG1-CD1 3.53Å; V62-I70 HydrophobicContact CG1-CG1 3.62Å; V62-E102 CarbonylContact O-C 3.55Å; V62-E102 VanDerWaalsContact O-CA 3.28Å; V62-E102 WeakPolarHBondContact O-CA 3.26Å; V62-Q103 HydrophobicContact CB-CB 4.26Å; V62-Q103 PolarHBondContact O-N 3.13Å; V62-V105 HydrophobicContact CB-CG2 4.01Å; V62-V105 HydrophobicContact CG1-CG2 4.02Å; V62-V105 HydrophobicContact CG2-CB 4.4Å; V62-V105 HydrophobicContact CG2-CG2 3.88Å |
| 63 | R | 97.1 | Very high | 97.2 | Very high | 85 Ų | 85 | 37.7 Ų | 37.7 | 32% | 0.321 | 18% | 0.179 | S | C | . | . | trans | -115.3 | 72.9 | -178.1 | -60.5 | -177.6 | 66 | -165.6 | -0.2 | 109.8 | F33 E61 S99 E102 | F33-R63 PolarHBondContact O-N 3.36Å; E61-R63 PolarHBondContact O-N 2.81Å; R63-S99 PolarHBondContact NH2-O 3.05Å; R63-E102 HydrophobicContact CG-CG 4.04Å | ||
| 64 | D | 94.7 | Very high | 97.2 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | trans | -125.5 | 76.4 | -172.2 | -172.4 | 16.7 | 0 | 0 | 0 | 113.5 | V62 K66 G67 T68 A69 I70 | V62-D64 HydrophobicContact CG1-CB 4.13Å; D64-K66 PolarHBondContact O-N 2.92Å; D64-K66 VanDerWaalsContact O-N 3.14Å; D64-G67 PolarHBondContact O-N 3.38Å; D64-G67 VanDerWaalsContact O-N 3.15Å; D64-G67 PolarHBondContact OD1-N 2.97Å; D64-G67 VanDerWaalsContact OD1-N 3.16Å; D64-G67 WeakPolarHBondContact OD2-CA 3.45Å; D64-T68 PolarHBondContact OD1-N 2.86Å; D64-T68 VanDerWaalsContact OD1-N 3.16Å; D64-T68 PolarHBondContact OD2-N 3.28Å; D64-T68 VanDerWaalsContact OD2-N 3.12Å; D64-A69 HydrophobicContact CB-CB 4.13Å; D64-A69 PolarHBondContact OD1-N 2.81Å; D64-A69 WeakPolarHBondContact OD2-CA 3.42Å; D64-A69 WeakPolarHBondContact OD2-CB 3.3Å; D64-A69 PolarHBondContact OD2-N 2.83Å; D64-I70 HydrophobicContact CB-CD1 4.18Å; D64-I70 HydrophobicContact CB-CG1 4.14Å; D64-I70 WeakPolarHBondContact OD2-CG1 3.47Å; D64-I70 PolarHBondContact OD2-N 3.02Å | ||
| 65 | R | 91.4 | Very high | 97.2 | Very high | 213 Ų | 213 | 40.9 Ų | 40.9 | 80% | 0.804 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29.7 | -176.8 | -173.6 | 175.4 | 179.5 | 173.8 | 3.1 | 114.1 | ||
| 66 | K | 93.1 | Very high | 97.2 | Very high | 146 Ų | 146 | 42 Ų | 42 | 64% | 0.635 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -7.2 | -177.3 | -59.4 | -177.4 | -165.7 | 138.9 | 0 | 113.1 | E35 D64 T68 | E35-K66 VanDerWaalsContact OE1-CD 3.3Å; E35-K66 WeakPolarHBondContact OE1-CD 3.45Å; E35-K66 VanDerWaalsContact OE1-CE 3.31Å; E35-K66 WeakPolarHBondContact OE1-CE 3.47Å; E35-K66 IonicContact OE1-NZ 2.77Å; E35-K66 PolarHBondContact OE1-NZ 2.86Å; E35-K66 IonicContact OE2-NZ 3.38Å; E35-K66 PolarHBondContact OE2-NZ 2.79Å; D64-K66 PolarHBondContact O-N 2.92Å; D64-K66 VanDerWaalsContact O-N 3.14Å; K66-T68 HydrophobicContact CB-CG2 3.87Å; K66-T68 PolarHBondContact O-N 2.91Å |
| 67 | G | 93.5 | Very high | 97.2 | Very high | 37 Ų | 37 | 42 Ų | 42 | 38% | 0.381 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 69 | 10.5 | -173 | 0 | 0 | 0 | 0 | 0 | 114.5 | D64 S71 | D64-G67 PolarHBondContact O-N 3.38Å; D64-G67 VanDerWaalsContact O-N 3.15Å; D64-G67 PolarHBondContact OD1-N 2.97Å; D64-G67 VanDerWaalsContact OD1-N 3.16Å; D64-G67 WeakPolarHBondContact OD2-CA 3.45Å; G67-S71 VanDerWaalsContact O-CB 3.27Å; G67-S71 WeakPolarHBondContact O-CB 3.35Å; G67-S71 PolarHBondContact O-N 3.07Å |
| 68 | T | 95.9 | Very high | 97.2 | Very high | 54 Ų | 54 | 44.5 Ų | 44.5 | 33% | 0.331 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -81.6 | -35.3 | -174.4 | 58 | 0 | 0 | 0 | 0 | 112.1 | D64 K66 K72 | D64-T68 PolarHBondContact OD1-N 2.86Å; D64-T68 VanDerWaalsContact OD1-N 3.16Å; D64-T68 PolarHBondContact OD2-N 3.28Å; D64-T68 VanDerWaalsContact OD2-N 3.12Å; K66-T68 HydrophobicContact CB-CG2 3.87Å; K66-T68 PolarHBondContact O-N 2.91Å; T68-K72 WeakPolarHBondContact O-CB 3.28Å; T68-K72 VanDerWaalsContact O-CG 3.3Å; T68-K72 WeakPolarHBondContact O-CG 3.29Å; T68-K72 PolarHBondContact O-N 3.23Å |
| 69 | A | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.3 | -45.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F33 S38 D64 K72 L73 | F33-A69 HydrophobicContact CD1-CB 4.47Å; F33-A69 HydrophobicContact CE1-CB 3.75Å; F33-A69 HydrophobicContact CZ-CB 4.2Å; S38-A69 WeakPolarHBondContact OG-CB 3.26Å; D64-A69 HydrophobicContact CB-CB 4.13Å; D64-A69 PolarHBondContact OD1-N 2.81Å; D64-A69 WeakPolarHBondContact OD2-CA 3.42Å; D64-A69 WeakPolarHBondContact OD2-CB 3.3Å; D64-A69 PolarHBondContact OD2-N 2.83Å; A69-K72 PolarHBondContact O-N 2.79Å; A69-L73 PolarHBondContact O-N 2.82Å |
| 70 | I | 97.1 | Very high | 97.1 | Very high | 17 Ų | 17 | 58.1 Ų | 58.1 | 9% | 0.087 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 176.4 | -66.5 | 171.2 | 0 | 0 | 0 | 110.5 | V62 D64 K72 L73 L74 L88 V105 | V62-I70 HydrophobicContact CG1-CD1 3.53Å; V62-I70 HydrophobicContact CG1-CG1 3.62Å; D64-I70 HydrophobicContact CB-CD1 4.18Å; D64-I70 HydrophobicContact CB-CG1 4.14Å; D64-I70 WeakPolarHBondContact OD2-CG1 3.47Å; D64-I70 PolarHBondContact OD2-N 3.02Å; I70-K72 VanDerWaalsContact C-N 3.34Å; I70-K72 PolarHBondContact O-N 3.34Å; I70-L73 WeakPolarHBondContact O-CB 3.37Å; I70-L73 PolarHBondContact O-N 2.89Å; I70-L73 VanDerWaalsContact O-N 3.1Å; I70-L74 PolarHBondContact O-N 2.64Å; I70-L88 HydrophobicContact CG2-CD1 4.13Å; I70-L88 HydrophobicContact CG2-CD2 3.32Å; I70-L88 HydrophobicContact CG2-CG 4.33Å; I70-V105 HydrophobicContact CD1-CG2 3.75Å |
| 71 | S | 97.6 | Very high | 97.1 | Very high | 59 Ų | 59 | 59 Ų | 59 | 41% | 0.413 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 177.1 | -179.1 | 0 | 0 | 0 | 0 | 111.9 | G67 L73 L74 Q75 | G67-S71 VanDerWaalsContact O-CB 3.27Å; G67-S71 WeakPolarHBondContact O-CB 3.35Å; G67-S71 PolarHBondContact O-N 3.07Å; S71-L73 VanDerWaalsContact C-N 3.32Å; S71-L73 PolarHBondContact O-N 2.91Å; S71-L74 PolarHBondContact O-N 3.05Å; S71-Q75 WeakPolarHBondContact O-CG 3.34Å; S71-Q75 PolarHBondContact O-N 2.95Å; S71-Q75 VanDerWaalsContact O-N 3.08Å; S71-Q75 PolarHBondContact OG-NE2 2.86Å |
| 72 | K | 98.3 | Very high | 97 | Very high | 80 Ų | 80 | 63.9 Ų | 63.9 | 35% | 0.348 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 172.6 | -76 | 173.7 | 178.6 | 176.4 | 0 | 111.8 | N39 M44 T68 A69 I70 Q75 T76 | N39-K72 PolarHBondContact OD1-NZ 2.83Å; M44-K72 HydrophobicContact CE-CB 4.02Å; T68-K72 WeakPolarHBondContact O-CB 3.28Å; T68-K72 VanDerWaalsContact O-CG 3.3Å; T68-K72 WeakPolarHBondContact O-CG 3.29Å; T68-K72 PolarHBondContact O-N 3.23Å; A69-K72 PolarHBondContact O-N 2.79Å; I70-K72 VanDerWaalsContact C-N 3.34Å; I70-K72 PolarHBondContact O-N 3.34Å; K72-Q75 PolarHBondContact O-N 2.95Å; K72-T76 PolarHBondContact O-N 3.5Å; K72-T76 PolarHBondContact O-OG1 3.01Å; K72-T76 VanDerWaalsContact O-OG1 3.08Å |
| 73 | L | 98.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 74.4 Ų | 74.4 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.4 | -47.7 | 179 | -175.7 | 59.5 | 0 | 0 | 0 | 111.8 | F33 M44 L47 I51 L59 A69 I70 S71 Q75 T76 I77 | F33-L73 HydrophobicContact CE1-CD2 4.29Å; F33-L73 HydrophobicContact CE2-CD2 4.49Å; F33-L73 HydrophobicContact CZ-CB 4.05Å; F33-L73 HydrophobicContact CZ-CD2 4.01Å; F33-L73 HydrophobicContact CZ-CG 4.48Å; M44-L73 HydrophobicContact CE-CB 3.77Å; M44-L73 HydrophobicContact CE-CD1 3.9Å; M44-L73 HydrophobicContact CE-CG 4.46Å; M44-L73 HydrophobicContact SD-CD1 4.14Å; L47-L73 HydrophobicContact CB-CD1 4.01Å; L47-L73 HydrophobicContact CD1-CD1 4.41Å; I51-L73 HydrophobicContact CD1-CD1 4.21Å; I51-L73 HydrophobicContact CD1-CD2 3.98Å; I51-L73 HydrophobicContact CD1-CG 4.37Å; L59-L73 HydrophobicContact CD1-CD2 3.85Å; A69-L73 PolarHBondContact O-N 2.82Å; I70-L73 WeakPolarHBondContact O-CB 3.37Å; I70-L73 PolarHBondContact O-N 2.89Å; I70-L73 VanDerWaalsContact O-N 3.1Å; S71-L73 VanDerWaalsContact C-N 3.32Å; S71-L73 PolarHBondContact O-N 2.91Å; L73-Q75 VanDerWaalsContact C-N 3.3Å; L73-Q75 PolarHBondContact O-N 2.84Å; L73-T76 PolarHBondContact O-N 2.99Å; L73-T76 VanDerWaalsContact O-N 3.17Å; L73-I77 HydrophobicContact CD1-CD1 4.23Å; L73-I77 HydrophobicContact CD1-CG1 4.42Å; L73-I77 HydrophobicContact CG-CD1 3.92Å; L73-I77 VanDerWaalsContact O-CG1 3.31Å; L73-I77 WeakPolarHBondContact O-CG1 3.43Å; L73-I77 PolarHBondContact O-N 3.28Å |
| 74 | L | 98.5 | Very high | 96.8 | Very high | 40 Ų | 40 | 72 Ų | 72 | 21% | 0.209 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.6 | -41.5 | 176.3 | -177.5 | 63.3 | 0 | 0 | 0 | 111.6 | I70 S71 I77 S78 L88 | I70-L74 PolarHBondContact O-N 2.64Å; S71-L74 PolarHBondContact O-N 3.05Å; L74-I77 PolarHBondContact O-N 2.82Å; L74-S78 WeakPolarHBondContact O-CB 3.42Å; L74-S78 PolarHBondContact O-N 3.35Å; L74-S78 PolarHBondContact O-OG 2.86Å; L74-S78 VanDerWaalsContact O-OG 3.08Å; L74-L88 HydrophobicContact CB-CD2 4.03Å; L74-L88 HydrophobicContact CD2-CD2 3.87Å; L74-L88 HydrophobicContact CG-CD2 4.4Å |
| 75 | Q | 98.4 | Very high | 96.9 | Very high | 91 Ų | 91 | 78.4 Ų | 78.4 | 43% | 0.425 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 175.7 | -70.9 | 173.8 | 44.4 | 0 | 0 | 112.3 | S71 K72 L73 S78 R79 | S71-Q75 WeakPolarHBondContact O-CG 3.34Å; S71-Q75 PolarHBondContact O-N 2.95Å; S71-Q75 VanDerWaalsContact O-N 3.08Å; S71-Q75 PolarHBondContact OG-NE2 2.86Å; K72-Q75 PolarHBondContact O-N 2.95Å; L73-Q75 VanDerWaalsContact C-N 3.3Å; L73-Q75 PolarHBondContact O-N 2.84Å; Q75-S78 PolarHBondContact O-N 2.8Å; Q75-R79 VanDerWaalsContact O-CG 3.3Å; Q75-R79 WeakPolarHBondContact O-CG 3.41Å; Q75-R79 PolarHBondContact O-N 2.78Å |
| 76 | T | 98.7 | Very high | 97.2 | Very high | 31 Ų | 31 | 69.1 Ų | 69.1 | 19% | 0.19 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 176.4 | -59.6 | 0 | 0 | 0 | 0 | 111.3 | M44 A48 K72 L73 R79 Y80 | M44-T76 HydrophobicContact CB-CG2 4.24Å; A48-T76 HydrophobicContact CB-CG2 3.9Å; K72-T76 PolarHBondContact O-N 3.5Å; K72-T76 PolarHBondContact O-OG1 3.01Å; K72-T76 VanDerWaalsContact O-OG1 3.08Å; L73-T76 PolarHBondContact O-N 2.99Å; L73-T76 VanDerWaalsContact O-N 3.17Å; T76-R79 PolarHBondContact O-N 2.81Å; T76-Y80 VanDerWaalsContact O-CB 3.31Å; T76-Y80 WeakPolarHBondContact O-CB 3.19Å; T76-Y80 PolarHBondContact O-N 3.12Å |
| 77 | I | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.3 | -51 | 175.5 | -71.9 | 167.3 | 0 | 0 | 0 | 110.7 | A48 I51 T52 L73 L74 R79 Y80 D81 Y86 V107 | A48-I77 HydrophobicContact CB-CG1 3.99Å; I51-I77 HydrophobicContact CB-CD1 4.2Å; I51-I77 HydrophobicContact CD1-CD1 3.95Å; I51-I77 HydrophobicContact CG2-CD1 3.75Å; T52-I77 HydrophobicContact CG2-CG2 3.83Å; L73-I77 HydrophobicContact CD1-CD1 4.23Å; L73-I77 HydrophobicContact CD1-CG1 4.42Å; L73-I77 HydrophobicContact CG-CD1 3.92Å; L73-I77 VanDerWaalsContact O-CG1 3.31Å; L73-I77 WeakPolarHBondContact O-CG1 3.43Å; L73-I77 PolarHBondContact O-N 3.28Å; L74-I77 PolarHBondContact O-N 2.82Å; I77-R79 VanDerWaalsContact C-N 3.26Å; I77-R79 PolarHBondContact O-N 2.85Å; I77-Y80 PolarHBondContact O-N 2.9Å; I77-Y80 VanDerWaalsContact O-N 3.08Å; I77-D81 PolarHBondContact O-N 2.92Å; I77-Y86 HydrophobicContact CG2-CD1 3.82Å; I77-Y86 HydrophobicContact CG2-CD2 3.54Å; I77-Y86 HydrophobicContact CG2-CE1 4.09Å; I77-Y86 HydrophobicContact CG2-CE2 3.84Å; I77-Y86 HydrophobicContact CG2-CG 3.54Å; I77-V107 HydrophobicContact CD1-CG1 4.04Å |
| 78 | S | 97.9 | Very high | 97.7 | Very high | 54 Ų | 54 | 66 Ų | 66 | 38% | 0.378 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.6 | -29.5 | -179.8 | -63.2 | 0 | 0 | 0 | 0 | 113.5 | L74 Q75 | L74-S78 WeakPolarHBondContact O-CB 3.42Å; L74-S78 PolarHBondContact O-N 3.35Å; L74-S78 PolarHBondContact O-OG 2.86Å; L74-S78 VanDerWaalsContact O-OG 3.08Å; Q75-S78 PolarHBondContact O-N 2.8Å |
| 79 | R | 98.1 | Very high | 97.8 | Very high | 183 Ų | 183 | 65 Ų | 65 | 69% | 0.691 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -77.2 | -34.1 | 173 | -72.1 | 174.2 | -173.4 | 159.3 | 6 | 112.5 | Q75 T76 I77 | Q75-R79 VanDerWaalsContact O-CG 3.3Å; Q75-R79 WeakPolarHBondContact O-CG 3.41Å; Q75-R79 PolarHBondContact O-N 2.78Å; T76-R79 PolarHBondContact O-N 2.81Å; I77-R79 VanDerWaalsContact C-N 3.26Å; I77-R79 PolarHBondContact O-N 2.85Å |
| 80 | Y | 98.4 | Very high | 97.8 | Very high | 106 Ų | 106 | 66.6 Ų | 66.6 | 42% | 0.416 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -73.8 | -45.4 | -178.3 | -173.8 | -92.1 | 0 | 0 | 0 | 111.9 | I45 A48 R49 T52 T76 I77 | I45-Y80 HydrophobicContact CG2-CD2 4.48Å; I45-Y80 HydrophobicContact CG2-CE2 4.39Å; A48-Y80 HydrophobicContact CB-CG 4.08Å; R49-Y80 HydrophobicContact CB-CE1 4.07Å; R49-Y80 HydrophobicContact CB-CE2 4.26Å; R49-Y80 WeakPolarHBondContact CD-OH 3.22Å; R49-Y80 HydrophobicContact CG-CE1 4.23Å; R49-Y80 WeakPolarHBondContact CG-OH 3.46Å; T52-Y80 HydrophobicContact CG2-CD1 4.1Å; T76-Y80 VanDerWaalsContact O-CB 3.31Å; T76-Y80 WeakPolarHBondContact O-CB 3.19Å; T76-Y80 PolarHBondContact O-N 3.12Å; I77-Y80 PolarHBondContact O-N 2.9Å; I77-Y80 VanDerWaalsContact O-N 3.08Å |
| 81 | D | 97.4 | Very high | 97.9 | Very high | 17 Ų | 17 | 66.1 Ų | 66.1 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | trans | -114.9 | 87.5 | 179.2 | 179.4 | 17 | 0 | 0 | 0 | 111.2 | T52 I77 R83 N84 Y86 | T52-D81 HydrophobicContact CG2-CB 3.63Å; I77-D81 PolarHBondContact O-N 2.92Å; D81-R83 PolarHBondContact O-N 2.64Å; D81-R83 PolarHBondContact OD1-N 2.99Å; D81-N84 PolarHBondContact OD1-ND2 2.87Å; D81-N84 WeakPolarHBondContact OD2-CB 3.36Å; D81-N84 PolarHBondContact OD2-ND2 3.06Å; D81-Y86 HydrophobicContact CB-CE2 3.98Å; D81-Y86 WeakPolarHBondContact OD2-CE2 3.35Å; D81-Y86 PolarHBondContact OD2-OH 3.25Å | ||
| 82 | T | 96.6 | Very high | 97.8 | Very high | 119 Ų | 119 | 70.3 Ų | 70.3 | 73% | 0.73 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -5.9 | 179.9 | 57.3 | 0 | 0 | 0 | 0 | 114 | ||
| 83 | R | 95.4 | Very high | 97.8 | Very high | 222 Ų | 222 | 69.9 Ų | 69.9 | 84% | 0.838 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -21.8 | -177.9 | -57.7 | -176.5 | -136.6 | 152.8 | 5.8 | 112.7 | D81 | D81-R83 PolarHBondContact O-N 2.64Å; D81-R83 PolarHBondContact OD1-N 2.99Å |
| 84 | N | 96.3 | Very high | 97.7 | Very high | 35 Ų | 35 | 70.2 Ų | 70.2 | 19% | 0.187 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -119.8 | 160.8 | -179.5 | -61.8 | -69.9 | 0 | 0 | 0 | 110.8 | D81 Y86 R109 N111 | D81-N84 PolarHBondContact OD1-ND2 2.87Å; D81-N84 WeakPolarHBondContact OD2-CB 3.36Å; D81-N84 PolarHBondContact OD2-ND2 3.06Å; N84-Y86 HydrophobicContact CB-CD2 4.45Å; N84-Y86 HydrophobicContact CB-CE2 3.71Å; N84-R109 HydrophobicContact CB-CG 4.19Å; N84-N111 PolarHBondContact OD1-ND2 2.87Å |
| 85 | Q | 97.1 | Very high | 97.6 | Very high | 139 Ų | 139 | 69.2 Ų | 69.2 | 65% | 0.65 | 33% | 0.333 | S | S | * | . | trans | -109.2 | 139.5 | 172.1 | -70.3 | 179.9 | -2.4 | 0 | 0 | 108.7 | R109 T110 | Q85-R109 CarbonylContact O-C 3.49Å; Q85-R109 VanDerWaalsContact O-CA 3.28Å; Q85-R109 WeakPolarHBondContact O-CA 3.41Å; Q85-T110 WeakPolarHBondContact CB-OG1 3.24Å; Q85-T110 PolarHBondContact O-N 3.46Å; Q85-T110 PolarHBondContact O-OG1 3.07Å | ||
| 86 | Y | 98.5 | Very high | 97.3 | Very high | 18 Ų | 18 | 69.9 Ų | 69.9 | 7% | 0.071 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 145.5 | -176.7 | -67.4 | -94.5 | 0 | 0 | 0 | 110.5 | T52 I77 D81 N84 V107 Y108 R109 | T52-Y86 HydrophobicContact CG2-CE1 4.48Å; T52-Y86 HydrophobicContact CG2-CE2 4.3Å; I77-Y86 HydrophobicContact CG2-CD1 3.82Å; I77-Y86 HydrophobicContact CG2-CD2 3.54Å; I77-Y86 HydrophobicContact CG2-CE1 4.09Å; I77-Y86 HydrophobicContact CG2-CE2 3.84Å; I77-Y86 HydrophobicContact CG2-CG 3.54Å; D81-Y86 HydrophobicContact CB-CE2 3.98Å; D81-Y86 WeakPolarHBondContact OD2-CE2 3.35Å; D81-Y86 PolarHBondContact OD2-OH 3.25Å; N84-Y86 HydrophobicContact CB-CD2 4.45Å; N84-Y86 HydrophobicContact CB-CE2 3.71Å; Y86-V107 HydrophobicContact CD1-CG1 4.08Å; Y86-Y108 WeakPolarHBondContact CA-O 3.38Å; Y86-R109 HydrophobicContact CD1-CG 3.92Å; Y86-R109 HydrophobicContact CE1-CB 4.49Å; Y86-R109 HydrophobicContact CE1-CG 3.31Å; Y86-R109 HydrophobicContact CE2-CG 4.41Å; Y86-R109 PolarHBondContact OH-NE 3.24Å |
| 87 | N | 98.4 | Very high | 96.9 | Very high | 73 Ų | 73 | 75.5 Ų | 75.5 | 39% | 0.39 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 169.4 | 165.6 | -160.2 | 5.6 | 0 | 0 | 0 | 109.2 | Y108 T110 | N87-Y108 HydrophobicContact CB-CE1 4.24Å; N87-Y108 HydrophobicContact CB-CE2 4.05Å; N87-Y108 PolarHBondContact N-O 3.08Å; N87-Y108 PolarHBondContact ND2-OH 3.49Å; N87-Y108 PolarHBondContact O-N 2.81Å; N87-T110 HydrophobicContact CB-CG2 3.62Å |
| 88 | L | 97.8 | Very high | 96.3 | Very high | 45 Ų | 45 | 83.9 Ų | 83.9 | 24% | 0.236 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 153.1 | 178 | 67.1 | 89.7 | 0 | 0 | 0 | 112 | I70 L74 V105 F106 V107 | I70-L88 HydrophobicContact CG2-CD1 4.13Å; I70-L88 HydrophobicContact CG2-CD2 3.32Å; I70-L88 HydrophobicContact CG2-CG 4.33Å; L74-L88 HydrophobicContact CB-CD2 4.03Å; L74-L88 HydrophobicContact CD2-CD2 3.87Å; L74-L88 HydrophobicContact CG-CD2 4.4Å; L88-V105 HydrophobicContact CB-CG1 4.29Å; L88-F106 CarbonylContact C-O 3.53Å; L88-F106 WeakPolarHBondContact CA-O 3.32Å; L88-V107 HydrophobicContact CB-CG2 4.45Å |
| 89 | L | 98.4 | Very high | 95.9 | Very high | 32 Ų | 32 | 86 Ų | 86 | 17% | 0.168 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 122.3 | 170.5 | -177.8 | 66.9 | 0 | 0 | 0 | 109.3 | V105 F106 Y108 V115 Q118 F137 V139 | L89-V105 CarbonylContact O-C 3.19Å; L89-V105 WeakPolarHBondContact O-CA 3.48Å; L89-F106 PolarHBondContact N-O 3.24Å; L89-F106 PolarHBondContact O-N 2.88Å; L89-Y108 HydrophobicContact CB-CE1 4.32Å; L89-V115 HydrophobicContact CD2-CG1 4.06Å; L89-V115 HydrophobicContact CD2-CG2 4.4Å; L89-Q118 HydrophobicContact CD2-CB 4.26Å; L89-F137 HydrophobicContact CD1-CZ 4.38Å; L89-F137 HydrophobicContact CD2-CE1 4.07Å; L89-F137 HydrophobicContact CD2-CZ 3.9Å; L89-F137 HydrophobicContact CG-CE1 3.9Å; L89-F137 HydrophobicContact CG-CZ 3.79Å; L89-V139 HydrophobicContact CD2-CG1 3.93Å; L89-V139 HydrophobicContact CD2-CG2 3.8Å |
| 90 | A | 98.3 | Very high | 95.6 | Very high | 34 Ų | 34 | 80.9 Ų | 80.9 | 28% | 0.281 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 144.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y104 V105 | A90-Y104 CarbonylContact C-O 3.58Å; A90-Y104 WeakPolarHBondContact CA-O 3.41Å; A90-V105 HydrophobicContact CB-CG1 4.48Å; A90-V105 HydrophobicContact CB-CG2 3.96Å |
| 91 | S | 98.5 | Very high | 95.5 | Very high | 7 Ų | 7 | 77.6 Ų | 77.6 | 5% | 0.049 | 38% | 0.377 | C | S | . | . | trans | -70 | 171.5 | 166.6 | 71.4 | 0 | 0 | 0 | 0 | 111.4 | Q103 Y104 F137 | S91-Q103 PolarHBondContact O-NE2 2.99Å; S91-Q103 WeakPolarHBondContact OG-CA 3.29Å; S91-Y104 PolarHBondContact N-O 2.59Å; S91-Y104 PolarHBondContact OG-N 3.48Å; S91-F137 VanDerWaalsContact CB-CG 3.47Å | ||
| 92 | E | 96.5 | Very high | 95.5 | Very high | 147 Ų | 147 | 77 Ų | 77 | 69% | 0.687 | 37% | 0.373 | S | S | * | . | trans | -61 | 171.7 | 158.8 | -60.1 | -167.8 | 156.9 | 0 | 0 | 111 | L94 | E92-L94 HydrophobicContact CB-CD2 4.33Å; E92-L94 WeakPolarHBondContact O-CG 3.38Å; E92-L94 PolarHBondContact O-N 3.46Å | ||
| 93 | R | 97 | Very high | 95.6 | Very high | 70 Ų | 70 | 72.4 Ų | 72.4 | 26% | 0.264 | 34% | 0.344 | S | S | . | . | trans | -80.9 | 115.7 | 174.3 | -64.4 | -174.4 | 70.1 | -119.2 | -2.6 | 109.1 | Q101 E102 Q103 | R93-Q101 HydrophobicContact CB-CB 3.92Å; R93-Q101 PolarHBondContact NH2-O 3.35Å; R93-Q101 PolarHBondContact O-NE2 3.46Å; R93-E102 CarbonylContact C-O 3.59Å; R93-E102 WeakPolarHBondContact CA-O 3.17Å; R93-Q103 HydrophobicContact CB-CG 4.45Å; R93-Q103 HydrophobicContact CG-CG 3.85Å | ||
| 94 | L | 97.4 | Very high | 95.8 | Very high | 12 Ų | 12 | 62 Ų | 62 | 6% | 0.063 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 140.7 | -172.1 | -51.2 | 173.1 | 0 | 0 | 0 | 110.5 | E92 Q101 E102 Y104 R134 E135 | E92-L94 HydrophobicContact CB-CD2 4.33Å; E92-L94 WeakPolarHBondContact O-CG 3.38Å; E92-L94 PolarHBondContact O-N 3.46Å; L94-Q101 CarbonylContact O-C 3.5Å; L94-Q101 WeakPolarHBondContact O-CA 3.34Å; L94-Q101 WeakPolarHBondContact O-CB 3.35Å; L94-E102 PolarHBondContact N-O 3.29Å; L94-E102 PolarHBondContact O-N 3.22Å; L94-Y104 HydrophobicContact CD1-CD2 3.85Å; L94-Y104 HydrophobicContact CD1-CE2 3.85Å; L94-R134 HydrophobicContact CB-CB 4.07Å; L94-R134 HydrophobicContact CB-CG 4.12Å; L94-E135 WeakPolarHBondContact CD1-O 3.37Å; L94-E135 WeakPolarHBondContact CD2-OE2 3.47Å |
| 95 | G | 95.5 | Very high | 95.9 | Very high | 19 Ų | 19 | 60.4 Ų | 60.4 | 20% | 0.196 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.6 | 137.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K97 S133 | G95-K97 PolarHBondContact O-N 2.77Å; G95-K97 VanDerWaalsContact O-N 3.11Å; G95-S133 WeakPolarHBondContact CA-O 3.42Å; G95-S133 PolarHBondContact N-O 2.93Å |
| 96 | R | 91.8 | Very high | 96 | Very high | 105 Ų | 105 | 53.8 Ų | 53.8 | 40% | 0.396 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | -25.7 | 177.7 | -67.9 | -78.5 | -173.3 | -89.7 | -9.9 | 114.8 | D130 F132 | R96-D130 IonicContact CZ-OD1 3.92Å; R96-D130 IonicContact CZ-OD2 2.78Å; R96-D130 IonicContact NE-OD1 3.43Å; R96-D130 PolarHBondContact NE-OD1 3.35Å; R96-D130 IonicContact NE-OD2 3.92Å; R96-D130 PolarHBondContact NE-OD2 2.8Å; R96-D130 VanDerWaalsContact NH1-CG 3.26Å; R96-D130 IonicContact NH1-OD1 2.62Å; R96-D130 PolarHBondContact NH1-OD1 2.94Å; R96-D130 IonicContact NH1-OD2 3.49Å; R96-D130 PolarHBondContact NH1-OD2 2.76Å; R96-D130 PolarHBondContact NH2-O 3.45Å; R96-D130 IonicContact NH2-OD1 3.72Å; R96-D130 PolarHBondContact NH2-OD1 3.28Å; R96-D130 IonicContact NH2-OD2 2.81Å; R96-D130 PolarHBondContact NH2-OD2 2.99Å; R96-D130 VanDerWaalsContact NH2-OD2 3.14Å; R96-F132 PolarHBondContact NH1-O 3.43Å; R96-F132 PolarHBondContact NH2-O 3.26Å |
| 97 | K | 91 | Very high | 96 | Very high | 149 Ų | 149 | 53.2 Ų | 53.2 | 65% | 0.648 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 131.3 | -177.3 | -66 | -179.7 | -178.9 | 176.8 | 0 | 109.7 | G95 S99 Y100 Q101 | G95-K97 PolarHBondContact O-N 2.77Å; G95-K97 VanDerWaalsContact O-N 3.11Å; K97-S99 PolarHBondContact O-N 3.18Å; K97-S99 VanDerWaalsContact O-N 3.1Å; K97-Y100 CarbonylContact O-C 3.52Å; K97-Y100 PolarHBondContact O-N 3.08Å; K97-Q101 VanDerWaalsContact O-CG 3.32Å; K97-Q101 WeakPolarHBondContact O-CG 3.39Å |
| 98 | E | 86.9 | Confident | 96 | Very high | 176 Ų | 176 | 50.8 Ų | 50.8 | 82% | 0.822 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -32.7 | 177.5 | -65.8 | -169.4 | 167.9 | 0 | 0 | 113.6 | Y100 | E98-Y100 PolarHBondContact O-N 3.27Š|
| 99 | S | 88.6 | Confident | 96 | Very high | 97 Ų | 97 | 50.5 Ų | 50.5 | 68% | 0.678 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -20.1 | 179 | 58.5 | 0 | 0 | 0 | 0 | 113.6 | R63 K97 | R63-S99 PolarHBondContact NH2-O 3.05Å; K97-S99 PolarHBondContact O-N 3.18Å; K97-S99 VanDerWaalsContact O-N 3.1Å |
| 100 | Y | 90.9 | Very high | 96 | Very high | 77 Ų | 77 | 51.6 Ų | 51.6 | 30% | 0.302 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 88 | -178.6 | -167.4 | -83.2 | 0 | 0 | 0 | 109.2 | H32 K97 E98 E102 | H32-Y100 AromaticContact CE1-CE2 3.99Å; H32-Y100 AromaticContact CE1-CZ 3.97Å; H32-Y100 PolarHBondContact CE1-OH 2.91Å; H32-Y100 PolarHBondContact ND1-OH 3.02Å; K97-Y100 CarbonylContact O-C 3.52Å; K97-Y100 PolarHBondContact O-N 3.08Å; E98-Y100 PolarHBondContact O-N 3.27Å; Y100-E102 HydrophobicContact CE1-CG 4.2Å; Y100-E102 WeakPolarHBondContact CE1-OE1 3.34Å; Y100-E102 VanDerWaalsContact CZ-OE1 3.24Å; Y100-E102 PolarHBondContact OH-OE1 3.2Å |
| 101 | Q | 96.5 | Very high | 95.9 | Very high | 36 Ų | 36 | 54 Ų | 54 | 17% | 0.168 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 145.3 | 172.4 | -56 | 179.8 | -52.5 | 0 | 0 | 109.9 | R93 L94 K97 | R93-Q101 HydrophobicContact CB-CB 3.92Å; R93-Q101 PolarHBondContact NH2-O 3.35Å; R93-Q101 PolarHBondContact O-NE2 3.46Å; L94-Q101 CarbonylContact O-C 3.5Å; L94-Q101 WeakPolarHBondContact O-CA 3.34Å; L94-Q101 WeakPolarHBondContact O-CB 3.35Å; K97-Q101 VanDerWaalsContact O-CG 3.32Å; K97-Q101 WeakPolarHBondContact O-CG 3.39Å |
| 102 | E | 98 | Very high | 95.8 | Very high | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.019 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 169.2 | -178 | -64.5 | 169.8 | -161 | 0 | 0 | 110 | V62 R63 R93 L94 Y100 R134 H157 | V62-E102 CarbonylContact O-C 3.55Å; V62-E102 VanDerWaalsContact O-CA 3.28Å; V62-E102 WeakPolarHBondContact O-CA 3.26Å; R63-E102 HydrophobicContact CG-CG 4.04Å; R93-E102 CarbonylContact C-O 3.59Å; R93-E102 WeakPolarHBondContact CA-O 3.17Å; L94-E102 PolarHBondContact N-O 3.29Å; L94-E102 PolarHBondContact O-N 3.22Å; Y100-E102 HydrophobicContact CE1-CG 4.2Å; Y100-E102 WeakPolarHBondContact CE1-OE1 3.34Å; Y100-E102 VanDerWaalsContact CZ-OE1 3.24Å; Y100-E102 PolarHBondContact OH-OE1 3.2Å; E102-R134 IonicContact OE1-NH1 3.43Å; E102-R134 PolarHBondContact OE1-NH1 3.29Å; E102-R134 VanDerWaalsContact OE1-NH1 3.09Å; E102-R134 WeakPolarHBondContact OE2-CD 3Å; E102-R134 IonicContact OE2-CZ 3.18Å; E102-R134 IonicContact OE2-NE 3.4Å; E102-R134 IonicContact OE2-NH1 3.05Å; E102-R134 PolarHBondContact OE2-NH1 2.97Å; E102-H157 IonicContact OE1-CE1 2.77Å; E102-H157 IonicContact OE1-ND1 3.92Å; E102-H157 IonicContact OE2-CE1 3.26Å; E102-H157 PolarHBondContact OE2-CE1 2.78Å; E102-H157 IonicContact OE2-CG 3.94Å; E102-H157 IonicContact OE2-ND1 2.95Å; E102-H157 PolarHBondContact OE2-ND1 3.3Å |
| 103 | Q | 98.4 | Very high | 95.8 | Very high | 24 Ų | 24 | 48 Ų | 48 | 11% | 0.112 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 145.5 | 174.5 | -62 | 175.9 | -102 | 0 | 0 | 109.3 | V62 S91 R93 V105 | V62-Q103 HydrophobicContact CB-CB 4.26Å; V62-Q103 PolarHBondContact O-N 3.13Å; S91-Q103 PolarHBondContact O-NE2 2.99Å; S91-Q103 WeakPolarHBondContact OG-CA 3.29Å; R93-Q103 HydrophobicContact CB-CG 4.45Å; R93-Q103 HydrophobicContact CG-CG 3.85Å; Q103-V105 HydrophobicContact CB-CG2 4.24Å |
| 104 | Y | 98.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 128.9 | 159.9 | -62 | -60.6 | 0 | 0 | 0 | 108.3 | L58 Q60 A90 S91 L94 R134 E135 F137 P155 Q156 H157 | L58-Y104 HydrophobicContact CD1-CD1 4.17Å; Q60-Y104 HydrophobicContact CG-CD1 4.11Å; Q60-Y104 HydrophobicContact CG-CE1 4.25Å; A90-Y104 CarbonylContact C-O 3.58Å; A90-Y104 WeakPolarHBondContact CA-O 3.41Å; S91-Y104 PolarHBondContact N-O 2.59Å; S91-Y104 PolarHBondContact OG-N 3.48Å; L94-Y104 HydrophobicContact CD1-CD2 3.85Å; L94-Y104 HydrophobicContact CD1-CE2 3.85Å; Y104-R134 HydrophobicContact CE2-CB 4.32Å; Y104-R134 PolarHBondContact OH-O 3.26Å; Y104-E135 WeakPolarHBondContact CE2-O 3.39Å; Y104-F137 HydrophobicContact CD2-CB 3.73Å; Y104-F137 HydrophobicContact CG-CB 4.32Å; Y104-P155 HydrophobicContact CD1-CB 3.89Å; Y104-P155 HydrophobicContact CD1-CG 4.24Å; Y104-P155 HydrophobicContact CD2-CG 4.11Å; Y104-P155 HydrophobicContact CE1-CB 4.19Å; Y104-P155 HydrophobicContact CE2-CG 4.5Å; Y104-P155 HydrophobicContact CG-CB 4.11Å; Y104-P155 HydrophobicContact CG-CG 3.95Å; Y104-Q156 PolarHBondContact OH-OE1 2.89Å; Y104-Q156 VanDerWaalsContact OH-OE1 3.04Å; Y104-H157 HydrophobicContact CE1-CB 3.94Å; Y104-H157 PolarHBondContact OH-N 2.78Å |
| 105 | V | 98.9 | Very high | 96 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 117.2 | 177.6 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | L59 V62 I70 L88 L89 A90 Q103 V107 | L59-V105 HydrophobicContact CB-CB 4.26Å; L59-V105 WeakPolarHBondContact CB-O 3.14Å; L59-V105 PolarHBondContact N-O 3.48Å; L59-V105 PolarHBondContact O-N 3.43Å; V62-V105 HydrophobicContact CB-CG2 4.01Å; V62-V105 HydrophobicContact CG1-CG2 4.02Å; V62-V105 HydrophobicContact CG2-CB 4.4Å; V62-V105 HydrophobicContact CG2-CG2 3.88Å; I70-V105 HydrophobicContact CD1-CG2 3.75Å; L88-V105 HydrophobicContact CB-CG1 4.29Å; L89-V105 CarbonylContact O-C 3.19Å; L89-V105 WeakPolarHBondContact O-CA 3.48Å; A90-V105 HydrophobicContact CB-CG1 4.48Å; A90-V105 HydrophobicContact CB-CG2 3.96Å; Q103-V105 HydrophobicContact CB-CG2 4.24Å; V105-V107 HydrophobicContact CG1-CG2 4.36Å |
| 106 | F | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 122.8 | 168.6 | -70.8 | -84.2 | 0 | 0 | 0 | 109.4 | V56 C57 L58 L88 L89 F137 V139 F141 L153 P155 | V56-F106 HydrophobicContact CG1-CD1 3.99Å; C57-F106 CarbonylContact O-C 3.36Å; C57-F106 WeakPolarHBondContact O-CA 3.26Å; L58-F106 HydrophobicContact CB-CD1 4.18Å; L58-F106 HydrophobicContact CB-CE1 3.86Å; L58-F106 HydrophobicContact CB-CZ 4.5Å; L58-F106 HydrophobicContact CD1-CD1 4.48Å; L58-F106 HydrophobicContact CD1-CE1 4.06Å; L58-F106 HydrophobicContact CD1-CE2 4.17Å; L58-F106 HydrophobicContact CD1-CZ 3.91Å; L58-F106 HydrophobicContact CG-CE1 4.47Å; L88-F106 CarbonylContact C-O 3.53Å; L88-F106 WeakPolarHBondContact CA-O 3.32Å; L89-F106 PolarHBondContact N-O 3.24Å; L89-F106 PolarHBondContact O-N 2.88Å; F106-F137 HydrophobicContact CD2-CD1 4.18Å; F106-F137 HydrophobicContact CD2-CE1 4.23Å; F106-F137 HydrophobicContact CE2-CD1 4.07Å; F106-F137 HydrophobicContact CE2-CE1 4.5Å; F106-V139 HydrophobicContact CD2-CB 4.23Å; F106-V139 HydrophobicContact CD2-CG2 3.48Å; F106-V139 VanDerWaalsContact CD2-CG2 3.48Å; F106-V139 HydrophobicContact CE2-CB 4.06Å; F106-V139 HydrophobicContact CE2-CG2 3.41Å; F106-V139 VanDerWaalsContact CE2-CG2 3.41Å; F106-V139 HydrophobicContact CG-CG2 4.36Å; F106-V139 HydrophobicContact CZ-CB 4.46Å; F106-V139 HydrophobicContact CZ-CG2 4.25Å; F106-F141 HydrophobicContact CB-CZ 4.2Å; F106-F141 HydrophobicContact CD1-CE2 4.14Å; F106-F141 HydrophobicContact CD1-CZ 4.12Å; F106-F141 HydrophobicContact CE1-CE2 4.39Å; F106-F141 HydrophobicContact CG-CZ 4.19Å; F106-L153 HydrophobicContact CD1-CD1 4.25Å; F106-L153 HydrophobicContact CE1-CB 3.9Å; F106-L153 HydrophobicContact CE1-CD1 3.67Å; F106-L153 HydrophobicContact CE1-CG 4.43Å; F106-L153 HydrophobicContact CZ-CB 4Å; F106-P155 HydrophobicContact CE2-CG 4.1Å; F106-P155 HydrophobicContact CZ-CB 4.16Å; F106-P155 HydrophobicContact CZ-CG 4.01Å |
| 107 | V | 98.9 | Very high | 96.4 | Very high | 6 Ų | 6 | 48.5 Ų | 48.5 | 4% | 0.036 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129.2 | 166.6 | -178.8 | 0 | 0 | 0 | 0 | 108 | I51 C57 L59 I77 Y86 L88 V105 | I51-V107 HydrophobicContact CG2-CB 4.15Å; I51-V107 HydrophobicContact CG2-CG1 3.92Å; C57-V107 PolarHBondContact N-O 3.37Å; C57-V107 PolarHBondContact O-N 3.22Å; L59-V107 HydrophobicContact CD1-CG2 3.62Å; L59-V107 HydrophobicContact CG-CG2 4.34Å; I77-V107 HydrophobicContact CD1-CG1 4.04Å; Y86-V107 HydrophobicContact CD1-CG1 4.08Å; L88-V107 HydrophobicContact CB-CG2 4.45Å; V105-V107 HydrophobicContact CG1-CG2 4.36Å |
| 108 | Y | 98.8 | Very high | 96.8 | Very high | 23 Ų | 23 | 46.6 Ų | 46.6 | 9% | 0.09 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 150.4 | -173.5 | 61.8 | -87.5 | 0 | 0 | 0 | 113.2 | D55 Y86 N87 L89 T110 V113 V115 F141 | D55-Y108 CarbonylContact O-C 3.54Å; D55-Y108 VanDerWaalsContact O-CA 3.23Å; D55-Y108 WeakPolarHBondContact O-CA 3.17Å; Y86-Y108 WeakPolarHBondContact CA-O 3.38Å; N87-Y108 HydrophobicContact CB-CE1 4.24Å; N87-Y108 HydrophobicContact CB-CE2 4.05Å; N87-Y108 PolarHBondContact N-O 3.08Å; N87-Y108 PolarHBondContact ND2-OH 3.49Å; N87-Y108 PolarHBondContact O-N 2.81Å; L89-Y108 HydrophobicContact CB-CE1 4.32Å; Y108-T110 HydrophobicContact CD2-CG2 4.39Å; Y108-T110 HydrophobicContact CE2-CG2 4.04Å; Y108-T110 PolarHBondContact O-N 2.95Å; Y108-V113 HydrophobicContact CD2-CG2 3.54Å; Y108-V113 HydrophobicContact CE2-CG2 4.49Å; Y108-V113 HydrophobicContact CG-CG2 3.97Å; Y108-V115 HydrophobicContact CD1-CG2 4.47Å; Y108-V115 HydrophobicContact CE1-CG2 3.79Å; Y108-V115 HydrophobicContact CE2-CG2 4.15Å; Y108-F141 HydrophobicContact CD1-CE1 4.15Å; Y108-F141 HydrophobicContact CG-CE1 4.11Å |
| 109 | R | 98.4 | Very high | 97.4 | Very high | 39 Ų | 39 | 40.1 Ų | 40.1 | 15% | 0.147 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 112.4 | 175.9 | -74.1 | -177.4 | -174.2 | 164.1 | -6.4 | 110.8 | T52 C54 D55 N84 Q85 Y86 N111 T112 V113 | T52-R109 PolarHBondContact O-NH2 3.45Å; C54-R109 PolarHBondContact O-NE 3.32Å; D55-R109 PolarHBondContact O-N 3Å; D55-R109 WeakPolarHBondContact OD1-CD 3.39Å; D55-R109 IonicContact OD1-CZ 3.72Å; D55-R109 IonicContact OD1-NE 3.98Å; D55-R109 IonicContact OD1-NH1 3.98Å; D55-R109 PolarHBondContact OD1-NH1 2.99Å; N84-R109 HydrophobicContact CB-CG 4.19Å; Q85-R109 CarbonylContact O-C 3.49Å; Q85-R109 VanDerWaalsContact O-CA 3.28Å; Q85-R109 WeakPolarHBondContact O-CA 3.41Å; Y86-R109 HydrophobicContact CD1-CG 3.92Å; Y86-R109 HydrophobicContact CE1-CB 4.49Å; Y86-R109 HydrophobicContact CE1-CG 3.31Å; Y86-R109 HydrophobicContact CE2-CG 4.41Å; Y86-R109 PolarHBondContact OH-NE 3.24Å; R109-N111 PolarHBondContact O-N 2.79Å; R109-T112 HydrophobicContact CB-CG2 3.95Å; R109-T112 WeakPolarHBondContact CB-OG1 3.31Å; R109-T112 PolarHBondContact O-N 3.32Å; R109-T112 PolarHBondContact O-OG1 3.22Å; R109-V113 PolarHBondContact O-N 3.43Å; R109-V113 VanDerWaalsContact O-N 3.12Å |
| 110 | T | 97.9 | Very high | 97.8 | Very high | 55 Ų | 55 | 38 Ų | 38 | 34% | 0.337 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -19.3 | -174.3 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | Q85 N87 Y108 T112 | Q85-T110 WeakPolarHBondContact CB-OG1 3.24Å; Q85-T110 PolarHBondContact O-N 3.46Å; Q85-T110 PolarHBondContact O-OG1 3.07Å; N87-T110 HydrophobicContact CB-CG2 3.62Å; Y108-T110 HydrophobicContact CD2-CG2 4.39Å; Y108-T110 HydrophobicContact CE2-CG2 4.04Å; Y108-T110 PolarHBondContact O-N 2.95Å; T110-T112 VanDerWaalsContact C-N 3.3Å |
| 111 | N | 95.3 | Very high | 98.2 | Very high | 83 Ų | 83 | 34.7 Ų | 34.7 | 44% | 0.444 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -3.6 | 173.6 | 60.7 | -45 | 0 | 0 | 0 | 113.7 | N84 R109 | N84-N111 PolarHBondContact OD1-ND2 2.87Å; R109-N111 PolarHBondContact O-N 2.79Å |
| 112 | T | 96.4 | Very high | 98.1 | Very high | 21 Ų | 21 | 36 Ų | 36 | 13% | 0.129 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | -29.1 | -177.3 | 71.4 | 0 | 0 | 0 | 0 | 113.3 | D55 R109 T110 | D55-T112 WeakPolarHBondContact OD1-CG2 3.42Å; R109-T112 HydrophobicContact CB-CG2 3.95Å; R109-T112 WeakPolarHBondContact CB-OG1 3.31Å; R109-T112 PolarHBondContact O-N 3.32Å; R109-T112 PolarHBondContact O-OG1 3.22Å; T110-T112 VanDerWaalsContact C-N 3.3Å |
| 113 | V | 97.9 | Very high | 98 | Very high | 8 Ų | 8 | 36.3 Ų | 36.3 | 5% | 0.048 | 20% | 0.195 | C | C | . | . | trans | -139.5 | 158.3 | 178.6 | -57.6 | 0 | 0 | 0 | 0 | 113.4 | F23 V56 Y108 R109 F141 K142 A143 | F23-V113 HydrophobicContact CE2-CG1 3.38Å; F23-V113 HydrophobicContact CZ-CG1 3.3Å; V56-V113 HydrophobicContact CG2-CB 4.47Å; V56-V113 HydrophobicContact CG2-CG1 3.85Å; V56-V113 HydrophobicContact CG2-CG2 3.93Å; Y108-V113 HydrophobicContact CD2-CG2 3.54Å; Y108-V113 HydrophobicContact CE2-CG2 4.49Å; Y108-V113 HydrophobicContact CG-CG2 3.97Å; R109-V113 PolarHBondContact O-N 3.43Å; R109-V113 VanDerWaalsContact O-N 3.12Å; V113-F141 HydrophobicContact CB-CD1 4.14Å; V113-F141 HydrophobicContact CG2-CD1 3.91Å; V113-F141 HydrophobicContact CG2-CE1 4.25Å; V113-K142 CarbonylContact C-O 3.57Å; V113-K142 WeakPolarHBondContact CA-O 3.35Å; V113-A143 HydrophobicContact CG1-CB 3.82Å | ||
| 114 | E | 98.5 | Very high | 97.8 | Very high | 117 Ų | 117 | 40.1 Ų | 40.1 | 55% | 0.547 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 139.7 | 168.2 | -176.9 | -169.1 | 170.4 | 0 | 0 | 109.4 | A116 F141 K142 | E114-A116 PolarHBondContact O-N 2.73Å; E114-F141 CarbonylContact O-C 3.48Å; E114-F141 WeakPolarHBondContact O-CA 3.49Å; E114-K142 HydrophobicContact CB-CB 4.42Å; E114-K142 PolarHBondContact N-O 3.06Å; E114-K142 PolarHBondContact O-N 3.28Å |
| 115 | V | 98.8 | Very high | 97.4 | Very high | 37 Ų | 37 | 43 Ų | 43 | 22% | 0.224 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 116.8 | 169.1 | 175 | 0 | 0 | 0 | 0 | 108.6 | L89 Y108 V139 F141 | L89-V115 HydrophobicContact CD2-CG1 4.06Å; L89-V115 HydrophobicContact CD2-CG2 4.4Å; Y108-V115 HydrophobicContact CD1-CG2 4.47Å; Y108-V115 HydrophobicContact CE1-CG2 3.79Å; Y108-V115 HydrophobicContact CE2-CG2 4.15Å; V115-V139 HydrophobicContact CG1-CG1 4.01Å; V115-V139 HydrophobicContact CG2-CG1 4.31Å; V115-F141 HydrophobicContact CG2-CD1 4.13Å; V115-F141 HydrophobicContact CG2-CE1 3.67Å; V115-F141 HydrophobicContact CG2-CZ 4.41Å |
| 116 | A | 98.6 | Very high | 97.1 | Very high | 42 Ų | 42 | 48.3 Ų | 48.3 | 35% | 0.347 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -14 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E114 R140 K142 | E114-A116 PolarHBondContact O-N 2.73Å; A116-R140 HydrophobicContact CB-CG 4.23Å; A116-R140 PolarHBondContact N-O 3.44Å; A116-K142 HydrophobicContact CB-CD 4.02Å; A116-K142 HydrophobicContact CB-CG 3.94Å |
| 117 | G | 98.6 | Very high | 96.6 | Very high | 20 Ų | 20 | 51.8 Ų | 51.8 | 21% | 0.206 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.5 | 160.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R140 | G117-R140 PolarHBondContact N-O 3.24Å; G117-R140 PolarHBondContact O-N 3.44Å |
| 118 | Q | 98.7 | Very high | 96.1 | Very high | 110 Ų | 110 | 53.3 Ų | 53.3 | 51% | 0.514 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 154.6 | 175.3 | 71.2 | -172.2 | 31.3 | 0 | 0 | 109.8 | L89 F137 V138 | L89-Q118 HydrophobicContact CD2-CB 4.26Å; Q118-F137 HydrophobicContact CB-CE2 4.21Å; Q118-F137 HydrophobicContact CB-CZ 4.22Å; Q118-V138 CarbonylContact C-O 3.54Å; Q118-V138 VanDerWaalsContact CA-O 3.25Å; Q118-V138 WeakPolarHBondContact CA-O 3.35Å |
| 119 | Y | 98.6 | Very high | 95.8 | Very high | 40 Ų | 40 | 57.3 Ų | 57.3 | 16% | 0.157 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 121.5 | 179.6 | 169.5 | -108.5 | 0 | 0 | 0 | 110.1 | Y121 P122 V138 E176 V177 M180 | Y119-Y121 AromaticContact CE1-CD2 3.99Å; Y119-Y121 HydrophobicContact CE1-CD2 3.99Å; Y119-P122 WeakPolarHBondContact OH-CD 3.47Å; Y119-V138 HydrophobicContact CD1-CB 4.32Å; Y119-V138 HydrophobicContact CD1-CG2 4.13Å; Y119-V138 PolarHBondContact N-O 2.81Å; Y119-V138 WeakPolarHBondContact O-CA 3.28Å; Y119-V138 WeakPolarHBondContact O-CB 3.31Å; Y119-V138 PolarHBondContact O-N 2.81Å; Y119-E176 VanDerWaalsContact OH-CD 3.29Å; Y119-E176 PolarHBondContact OH-OE1 2.75Å; Y119-V177 HydrophobicContact CD1-CG2 4.44Å; Y119-M180 HydrophobicContact CD1-CE 4.09Å; Y119-M180 HydrophobicContact CD1-SD 4.47Å; Y119-M180 HydrophobicContact CD2-CE 3.81Å; Y119-M180 HydrophobicContact CD2-SD 3.94Å; Y119-M180 HydrophobicContact CE1-CE 3.79Å; Y119-M180 HydrophobicContact CE2-CE 3.49Å; Y119-M180 VanDerWaalsContact CE2-CE 3.49Å; Y119-M180 HydrophobicContact CE2-SD 4.24Å; Y119-M180 HydrophobicContact CG-CE 4.09Å; Y119-M180 HydrophobicContact CG-SD 4.06Å; Y119-M180 VanDerWaalsContact CZ-CE 3.46Å |
| 120 | Q | 98.5 | Very high | 95.5 | Very high | 52 Ų | 52 | 59.6 Ų | 59.6 | 24% | 0.243 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 119.2 | 171.1 | -176.8 | 62.6 | 62.1 | 0 | 0 | 107.7 | E135 P136 F137 | Q120-E135 PolarHBondContact NE2-O 2.83Å; Q120-P136 PolarHBondContact NE2-O 2.03Å; Q120-F137 HydrophobicContact CB-CD2 4.5Å |
| 121 | Y | 98.2 | Very high | 95.4 | Very high | 7 Ų | 7 | 57.1 Ų | 57.1 | 3% | 0.027 | 33% | 0.33 | C | S | . | . | trans | -63.7 | 130.4 | 177.2 | -172.4 | -109.2 | 0 | 0 | 0 | 109.7 | Y119 D123 F132 E135 P136 V173 E176 | Y119-Y121 AromaticContact CE1-CD2 3.99Å; Y119-Y121 HydrophobicContact CE1-CD2 3.99Å; Y121-D123 HydrophobicContact CD1-CB 4.02Å; Y121-D123 HydrophobicContact CE1-CB 4.14Å; Y121-F132 HydrophobicContact CD1-CD2 4.04Å; Y121-F132 AromaticContact CD1-CE2 3.89Å; Y121-F132 HydrophobicContact CD1-CE2 3.89Å; Y121-F132 HydrophobicContact CE1-CD2 4.12Å; Y121-F132 AromaticContact CE1-CE2 3.72Å; Y121-F132 HydrophobicContact CE1-CE2 3.72Å; Y121-E135 WeakPolarHBondContact O-CB 3.01Å; Y121-P136 PolarHBondContact N-O 2.83Å; Y121-V173 HydrophobicContact CD1-CG2 3.9Å; Y121-V173 HydrophobicContact CD2-CB 4.42Å; Y121-V173 HydrophobicContact CD2-CG1 4.11Å; Y121-V173 HydrophobicContact CD2-CG2 3.93Å; Y121-V173 HydrophobicContact CE1-CG2 3.86Å; Y121-V173 HydrophobicContact CE2-CB 4.49Å; Y121-V173 HydrophobicContact CE2-CG2 3.91Å; Y121-V173 HydrophobicContact CG-CG1 4.34Å; Y121-V173 HydrophobicContact CG-CG2 3.93Å; Y121-E176 WeakPolarHBondContact CE2-OE2 3.03Å | ||
| 122 | P | 95.6 | Very high | 95.5 | Very high | 65 Ų | 65 | 53.2 Ų | 53.2 | 42% | 0.422 | 31% | 0.309 | S | S | . | . | trans | -80.8 | -14 | -173.9 | 31.3 | -37 | 0 | 0 | 0 | 114.2 | Y119 N124 | Y119-P122 WeakPolarHBondContact OH-CD 3.47Å; P122-N124 VanDerWaalsContact C-N 3.3Å; P122-N124 WeakPolarHBondContact CG-OD1 3.27Å; P122-N124 PolarHBondContact O-N 2.94Å | ||
| 123 | D | 94.8 | Very high | 95.5 | Very high | 10 Ų | 10 | 52.9 Ų | 52.9 | 5% | 0.053 | 31% | 0.308 | C | S | . | . | trans | 54.5 | 40 | 178 | -159.3 | 21.3 | 0 | 0 | 0 | 115 | Y121 D130 A131 F132 E135 | Y121-D123 HydrophobicContact CD1-CB 4.02Å; Y121-D123 HydrophobicContact CE1-CB 4.14Å; D123-D130 PolarHBondContact O-N 2.99Å; D123-D130 VanDerWaalsContact OD2-C 3.29Å; D123-D130 VanDerWaalsContact OD2-CA 3.28Å; D123-D130 WeakPolarHBondContact OD2-CA 3.49Å; D123-A131 VanDerWaalsContact CG-N 3.3Å; D123-A131 WeakPolarHBondContact OD1-CB 3.1Å; D123-A131 PolarHBondContact OD1-N 2.89Å; D123-A131 PolarHBondContact OD2-N 2.85Å; D123-F132 HydrophobicContact CB-CD2 4.46Å; D123-F132 WeakPolarHBondContact OD1-CD2 3.32Å; D123-F132 PolarHBondContact OD2-N 2.84Å; D123-E135 HydrophobicContact CB-CG 3.65Å | ||
| 124 | N | 94.3 | Very high | 95.5 | Very high | 104 Ų | 104 | 53.3 Ų | 53.3 | 56% | 0.556 | 31% | 0.308 | S | S | * | . | trans | -119.7 | 27.5 | -176 | 67.6 | -7.6 | 0 | 0 | 0 | 113.1 | P122 P126 | P122-N124 VanDerWaalsContact C-N 3.3Å; P122-N124 WeakPolarHBondContact CG-OD1 3.27Å; P122-N124 PolarHBondContact O-N 2.94Å; N124-P126 WeakPolarHBondContact O-CD 3.29Å | ||
| 125 | L | 91.6 | Very high | 95.5 | Very high | 63 Ų | 63 | 49.7 Ų | 49.7 | 33% | 0.33 | 29% | 0.292 | S | S | . | . | trans | -63.6 | 121.5 | 179 | -177.9 | 65.5 | 0 | 0 | 0 | 109.9 | G127 D128 E129 D172 | L125-G127 PolarHBondContact O-N 2.96Å; L125-D128 HydrophobicContact CD2-CB 4.42Å; L125-D128 CarbonylContact O-C 3.6Å; L125-D128 VanDerWaalsContact O-C 3.22Å; L125-D128 PolarHBondContact O-N 3.33Å; L125-E129 WeakPolarHBondContact O-CG 3.45Å; L125-E129 PolarHBondContact O-N 3.32Å; L125-D172 HydrophobicContact CD2-CB 4.25Å | ||
| 126 | P | 91 | Very high | 95.5 | Very high | 112 Ų | 112 | 48 Ų | 48 | 73% | 0.727 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 122.9 | -177.5 | -28.6 | 36.9 | 0 | 0 | 0 | 113.2 | N124 D128 E129 | N124-P126 WeakPolarHBondContact O-CD 3.29Å; P126-D128 VanDerWaalsContact C-N 3.33Å; P126-E129 WeakPolarHBondContact CA-OE1 3.46Å |
| 127 | G | 89.5 | Confident | 95.5 | Very high | 73 Ų | 73 | 46.3 Ų | 46.3 | 75% | 0.753 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.8 | -4.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L125 E129 | L125-G127 PolarHBondContact O-N 2.96Å; G127-E129 WeakPolarHBondContact CA-OE2 3.4Å; G127-E129 VanDerWaalsContact N-CD 3.28Å; G127-E129 PolarHBondContact N-OE1 3.08Å; G127-E129 PolarHBondContact N-OE2 2.86Å |
| 128 | D | 88.7 | Confident | 95.5 | Very high | 38 Ų | 38 | 45.3 Ų | 45.3 | 20% | 0.203 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -141.2 | 39.3 | 167.3 | -162.2 | 28.8 | 0 | 0 | 0 | 110.7 | L125 P126 K165 | L125-D128 HydrophobicContact CD2-CB 4.42Å; L125-D128 CarbonylContact O-C 3.6Å; L125-D128 VanDerWaalsContact O-C 3.22Å; L125-D128 PolarHBondContact O-N 3.33Å; P126-D128 VanDerWaalsContact C-N 3.33Å; D128-K165 WeakPolarHBondContact OD1-CE 3.24Å; D128-K165 IonicContact OD1-NZ 3.7Å; D128-K165 PolarHBondContact OD1-NZ 2.89Å |
| 129 | E | 91.9 | Very high | 95.5 | Very high | 107 Ų | 107 | 40.1 Ų | 40.1 | 50% | 0.5 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 147.2 | 175 | -59.1 | 88.3 | 161.4 | 0 | 0 | 109.9 | L125 P126 G127 A131 | L125-E129 WeakPolarHBondContact O-CG 3.45Å; L125-E129 PolarHBondContact O-N 3.32Å; P126-E129 WeakPolarHBondContact CA-OE1 3.46Å; G127-E129 WeakPolarHBondContact CA-OE2 3.4Å; G127-E129 VanDerWaalsContact N-CD 3.28Å; G127-E129 PolarHBondContact N-OE1 3.08Å; G127-E129 PolarHBondContact N-OE2 2.86Å; E129-A131 VanDerWaalsContact C-N 3.29Å; E129-A131 PolarHBondContact O-N 3.08Å |
| 130 | D | 91.3 | Very high | 95.5 | Very high | 87 Ų | 87 | 40.8 Ų | 40.8 | 47% | 0.465 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 44.4 | 176.2 | -158.3 | 60.6 | 0 | 0 | 0 | 110.7 | R96 D123 | R96-D130 IonicContact CZ-OD1 3.92Å; R96-D130 IonicContact CZ-OD2 2.78Å; R96-D130 IonicContact NE-OD1 3.43Å; R96-D130 PolarHBondContact NE-OD1 3.35Å; R96-D130 IonicContact NE-OD2 3.92Å; R96-D130 PolarHBondContact NE-OD2 2.8Å; R96-D130 VanDerWaalsContact NH1-CG 3.26Å; R96-D130 IonicContact NH1-OD1 2.62Å; R96-D130 PolarHBondContact NH1-OD1 2.94Å; R96-D130 IonicContact NH1-OD2 3.49Å; R96-D130 PolarHBondContact NH1-OD2 2.76Å; R96-D130 PolarHBondContact NH2-O 3.45Å; R96-D130 IonicContact NH2-OD1 3.72Å; R96-D130 PolarHBondContact NH2-OD1 3.28Å; R96-D130 IonicContact NH2-OD2 2.81Å; R96-D130 PolarHBondContact NH2-OD2 2.99Å; R96-D130 VanDerWaalsContact NH2-OD2 3.14Å; D123-D130 PolarHBondContact O-N 2.99Å; D123-D130 VanDerWaalsContact OD2-C 3.29Å; D123-D130 VanDerWaalsContact OD2-CA 3.28Å; D123-D130 WeakPolarHBondContact OD2-CA 3.49Å |
| 131 | A | 95.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.033 | 22% | 0.222 | C | C | . | . | trans | -72.5 | -34.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D123 E129 E166 A169 | D123-A131 VanDerWaalsContact CG-N 3.3Å; D123-A131 WeakPolarHBondContact OD1-CB 3.1Å; D123-A131 PolarHBondContact OD1-N 2.89Å; D123-A131 PolarHBondContact OD2-N 2.85Å; E129-A131 VanDerWaalsContact C-N 3.29Å; E129-A131 PolarHBondContact O-N 3.08Å; A131-E166 WeakPolarHBondContact O-CG 3.46Å; A131-A169 HydrophobicContact CB-CB 3.77Å | ||
| 132 | F | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -107.2 | 133.5 | -172.8 | -60.1 | -77.1 | 0 | 0 | 0 | 112 | R96 Y121 D123 R134 P136 Q156 E166 A169 L170 V173 | R96-F132 PolarHBondContact NH1-O 3.43Å; R96-F132 PolarHBondContact NH2-O 3.26Å; Y121-F132 HydrophobicContact CD1-CD2 4.04Å; Y121-F132 AromaticContact CD1-CE2 3.89Å; Y121-F132 HydrophobicContact CD1-CE2 3.89Å; Y121-F132 HydrophobicContact CE1-CD2 4.12Å; Y121-F132 AromaticContact CE1-CE2 3.72Å; Y121-F132 HydrophobicContact CE1-CE2 3.72Å; D123-F132 HydrophobicContact CB-CD2 4.46Å; D123-F132 WeakPolarHBondContact OD1-CD2 3.32Å; D123-F132 PolarHBondContact OD2-N 2.84Å; F132-R134 PolarHBondContact O-N 3.28Å; F132-P136 HydrophobicContact CE1-CG 4.31Å; F132-P136 HydrophobicContact CE2-CG 4.44Å; F132-P136 HydrophobicContact CZ-CG 4.27Å; F132-Q156 VanDerWaalsContact CD1-NE2 3.32Å; F132-E166 HydrophobicContact CD1-CB 4.03Å; F132-E166 HydrophobicContact CD1-CG 4.15Å; F132-E166 HydrophobicContact CE1-CB 4.26Å; F132-E166 WeakPolarHBondContact CE1-O 3.22Å; F132-A169 HydrophobicContact CE1-CB 4.09Å; F132-A169 HydrophobicContact CE2-CB 3.97Å; F132-A169 HydrophobicContact CZ-CB 3.56Å; F132-L170 HydrophobicContact CE1-CB 4.31Å; F132-L170 HydrophobicContact CE1-CD1 4.06Å; F132-L170 HydrophobicContact CZ-CB 4.38Å; F132-L170 HydrophobicContact CZ-CD1 4.18Å; F132-V173 HydrophobicContact CE2-CG2 3.67Å; F132-V173 HydrophobicContact CZ-CG2 3.64Å | ||
| 133 | S | 96.8 | Very high | 95.7 | Very high | 15 Ų | 15 | 38.9 Ų | 38.9 | 11% | 0.105 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -70.7 | -25.4 | 170.6 | -59.9 | 0 | 0 | 0 | 0 | 112.6 | G95 T159 E166 | G95-S133 WeakPolarHBondContact CA-O 3.42Å; G95-S133 PolarHBondContact N-O 2.93Å; S133-T159 VanDerWaalsContact CB-CG2 3.44Å; S133-T159 WeakPolarHBondContact OG-CG2 3.46Å; S133-E166 PolarHBondContact OG-OE1 3.37Å |
| 134 | R | 98.2 | Very high | 95.7 | Very high | 17 Ų | 17 | 42.5 Ų | 42.5 | 6% | 0.064 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -138 | 104.8 | 175.2 | -67.5 | 161.6 | -68.2 | -115.9 | -3.6 | 107.7 | L94 E102 Y104 F132 Q156 H157 T158 | L94-R134 HydrophobicContact CB-CB 4.07Å; L94-R134 HydrophobicContact CB-CG 4.12Å; E102-R134 IonicContact OE1-NH1 3.43Å; E102-R134 PolarHBondContact OE1-NH1 3.29Å; E102-R134 VanDerWaalsContact OE1-NH1 3.09Å; E102-R134 WeakPolarHBondContact OE2-CD 3Å; E102-R134 IonicContact OE2-CZ 3.18Å; E102-R134 IonicContact OE2-NE 3.4Å; E102-R134 IonicContact OE2-NH1 3.05Å; E102-R134 PolarHBondContact OE2-NH1 2.97Å; Y104-R134 HydrophobicContact CE2-CB 4.32Å; Y104-R134 PolarHBondContact OH-O 3.26Å; F132-R134 PolarHBondContact O-N 3.28Å; R134-Q156 PolarHBondContact O-OE1 3.48Å; R134-H157 PolarHBondContact NE-ND1 3.3Å; R134-H157 PolarHBondContact NE-O 3.48Å; R134-H157 PolarHBondContact NH1-CE1 2.77Å; R134-H157 PolarHBondContact NH1-ND1 3.21Å; R134-H157 PolarHBondContact NH2-O 3.19Å; R134-T158 PolarHBondContact NH2-O 3.36Å |
| 135 | E | 98.4 | Very high | 95.7 | Very high | 41 Ų | 41 | 42.6 Ų | 42.6 | 19% | 0.192 | 24% | 0.238 | C | C | . | . | trans | -65.1 | 134.1 | -172.9 | -56.6 | 85.9 | 162.2 | 0 | 0 | 110.9 | L94 Y104 Q120 Y121 D123 F137 | L94-E135 WeakPolarHBondContact CD1-O 3.37Å; L94-E135 WeakPolarHBondContact CD2-OE2 3.47Å; Y104-E135 WeakPolarHBondContact CE2-O 3.39Å; Q120-E135 PolarHBondContact NE2-O 2.83Å; Y121-E135 WeakPolarHBondContact O-CB 3.01Å; D123-E135 HydrophobicContact CB-CG 3.65Å; E135-F137 PolarHBondContact O-N 2.9Å | ||
| 136 | P | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -57.4 | 127.9 | -176.5 | -31.1 | 37.2 | 0 | 0 | 0 | 114.6 | Q120 Y121 F132 V138 I154 L170 V173 | Q120-P136 PolarHBondContact NE2-O 2.03Å; Y121-P136 PolarHBondContact N-O 2.83Å; F132-P136 HydrophobicContact CE1-CG 4.31Å; F132-P136 HydrophobicContact CE2-CG 4.44Å; F132-P136 HydrophobicContact CZ-CG 4.27Å; P136-V138 HydrophobicContact CB-CG2 4.38Å; P136-I154 HydrophobicContact CB-CG2 3.98Å; P136-L170 HydrophobicContact CB-CD1 4.47Å; P136-L170 HydrophobicContact CG-CD1 3.68Å; P136-V173 HydrophobicContact CB-CG1 4.15Å; P136-V173 HydrophobicContact CG-CG1 4.3Å; P136-V173 HydrophobicContact CG-CG2 4.2Å | ||
| 137 | F | 98.8 | Very high | 96.2 | Very high | 7 Ų | 7 | 36.6 Ų | 36.6 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 89.3 | 174 | 178.5 | -118.1 | 0 | 0 | 0 | 111.1 | L89 S91 Y104 F106 Q118 Q120 E135 V139 P155 | L89-F137 HydrophobicContact CD1-CZ 4.38Å; L89-F137 HydrophobicContact CD2-CE1 4.07Å; L89-F137 HydrophobicContact CD2-CZ 3.9Å; L89-F137 HydrophobicContact CG-CE1 3.9Å; L89-F137 HydrophobicContact CG-CZ 3.79Å; S91-F137 VanDerWaalsContact CB-CG 3.47Å; Y104-F137 HydrophobicContact CD2-CB 3.73Å; Y104-F137 HydrophobicContact CG-CB 4.32Å; F106-F137 HydrophobicContact CD2-CD1 4.18Å; F106-F137 HydrophobicContact CD2-CE1 4.23Å; F106-F137 HydrophobicContact CE2-CD1 4.07Å; F106-F137 HydrophobicContact CE2-CE1 4.5Å; Q118-F137 HydrophobicContact CB-CE2 4.21Å; Q118-F137 HydrophobicContact CB-CZ 4.22Å; Q120-F137 HydrophobicContact CB-CD2 4.5Å; E135-F137 PolarHBondContact O-N 2.9Å; F137-V139 HydrophobicContact CD1-CG2 4.06Å; F137-V139 HydrophobicContact CE1-CG2 3.71Å; F137-V139 HydrophobicContact CZ-CG2 4.18Å; F137-P155 HydrophobicContact CB-CG 4.3Å; F137-P155 WeakPolarHBondContact O-CD 3.42Å; F137-P155 WeakPolarHBondContact O-CG 3.44Å |
| 138 | V | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 134.6 | -170.5 | -170.6 | 0 | 0 | 0 | 0 | 111.3 | Q118 Y119 P136 V152 L153 I154 V173 V177 W181 | Q118-V138 CarbonylContact C-O 3.54Å; Q118-V138 VanDerWaalsContact CA-O 3.25Å; Q118-V138 WeakPolarHBondContact CA-O 3.35Å; Y119-V138 HydrophobicContact CD1-CB 4.32Å; Y119-V138 HydrophobicContact CD1-CG2 4.13Å; Y119-V138 PolarHBondContact N-O 2.81Å; Y119-V138 WeakPolarHBondContact O-CA 3.28Å; Y119-V138 WeakPolarHBondContact O-CB 3.31Å; Y119-V138 PolarHBondContact O-N 2.81Å; P136-V138 HydrophobicContact CB-CG2 4.38Å; V138-V152 HydrophobicContact CG1-CG1 3.3Å; V138-L153 WeakPolarHBondContact CA-O 3.41Å; V138-L153 WeakPolarHBondContact CG1-O 3.44Å; V138-I154 HydrophobicContact CG1-CG1 3.82Å; V138-I154 HydrophobicContact CG2-CG1 4.05Å; V138-I154 HydrophobicContact CG2-CG2 4.29Å; V138-V173 HydrophobicContact CG2-CG1 4.35Å; V138-V177 HydrophobicContact CB-CG2 4.42Å; V138-V177 HydrophobicContact CG1-CG1 4.25Å; V138-V177 HydrophobicContact CG1-CG2 3.96Å; V138-V177 HydrophobicContact CG2-CG2 3.97Å; V138-W181 HydrophobicContact CB-CH2 4.25Å; V138-W181 HydrophobicContact CB-CZ3 4.4Å; V138-W181 HydrophobicContact CG1-CH2 3.8Å; V138-W181 HydrophobicContact CG1-CZ3 3.49Å; V138-W181 VanDerWaalsContact CG1-CZ3 3.49Å |
| 139 | V | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 132.2 | 178.5 | -174.2 | 0 | 0 | 0 | 0 | 111.3 | L89 F106 V115 F137 F141 V152 L153 | L89-V139 HydrophobicContact CD2-CG1 3.93Å; L89-V139 HydrophobicContact CD2-CG2 3.8Å; F106-V139 HydrophobicContact CD2-CB 4.23Å; F106-V139 HydrophobicContact CD2-CG2 3.48Å; F106-V139 VanDerWaalsContact CD2-CG2 3.48Å; F106-V139 HydrophobicContact CE2-CB 4.06Å; F106-V139 HydrophobicContact CE2-CG2 3.41Å; F106-V139 VanDerWaalsContact CE2-CG2 3.41Å; F106-V139 HydrophobicContact CG-CG2 4.36Å; F106-V139 HydrophobicContact CZ-CB 4.46Å; F106-V139 HydrophobicContact CZ-CG2 4.25Å; V115-V139 HydrophobicContact CG1-CG1 4.01Å; V115-V139 HydrophobicContact CG2-CG1 4.31Å; F137-V139 HydrophobicContact CD1-CG2 4.06Å; F137-V139 HydrophobicContact CE1-CG2 3.71Å; F137-V139 HydrophobicContact CZ-CG2 4.18Å; V139-F141 HydrophobicContact CB-CD2 4.38Å; V139-F141 HydrophobicContact CB-CE2 3.7Å; V139-F141 HydrophobicContact CB-CZ 4.16Å; V139-F141 HydrophobicContact CG1-CD2 3.95Å; V139-F141 HydrophobicContact CG1-CE1 4.11Å; V139-F141 HydrophobicContact CG1-CE2 3.38Å; V139-F141 HydrophobicContact CG1-CZ 3.48Å; V139-F141 VanDerWaalsContact CG1-CZ 3.48Å; V139-V152 WeakPolarHBondContact O-CA 3.28Å; V139-L153 PolarHBondContact N-O 3.21Å; V139-L153 PolarHBondContact O-N 2.93Å |
| 140 | R | 98.9 | Very high | 97.2 | Very high | 55 Ų | 55 | 34.2 Ų | 34.2 | 21% | 0.208 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 123.5 | 174.9 | -174.1 | -179 | -177.3 | 165.8 | 2.4 | 109.5 | A116 G117 E150 V152 W181 | A116-R140 HydrophobicContact CB-CG 4.23Å; A116-R140 PolarHBondContact N-O 3.44Å; G117-R140 PolarHBondContact N-O 3.24Å; G117-R140 PolarHBondContact O-N 3.44Å; R140-E150 HydrophobicContact CG-CG 4.36Å; R140-E150 IonicContact CZ-OE1 3.6Å; R140-E150 VanDerWaalsContact CZ-OE1 3.24Å; R140-E150 IonicContact CZ-OE2 3.4Å; R140-E150 VanDerWaalsContact NE-CD 3.26Å; R140-E150 IonicContact NE-OE1 3.73Å; R140-E150 PolarHBondContact NE-OE1 3.47Å; R140-E150 IonicContact NE-OE2 3.15Å; R140-E150 PolarHBondContact NE-OE2 3.08Å; R140-E150 IonicContact NH2-OE1 2.8Å; R140-E150 PolarHBondContact NH2-OE1 2.7Å; R140-E150 IonicContact NH2-OE2 3.73Å; R140-V152 HydrophobicContact CB-CG2 4.17Å; R140-V152 HydrophobicContact CG-CG2 4.03Å; R140-W181 HydrophobicContact CB-CE3 4.21Å; R140-W181 HydrophobicContact CB-CH2 4.18Å; R140-W181 HydrophobicContact CB-CZ3 3.96Å |
| 141 | F | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 139 | 179.4 | -69.7 | -83.8 | 0 | 0 | 0 | 111.5 | V56 F106 Y108 V113 E114 V115 V139 E150 F151 L153 | V56-F141 HydrophobicContact CG1-CE1 4.25Å; V56-F141 HydrophobicContact CG1-CE2 3.9Å; V56-F141 HydrophobicContact CG1-CZ 3.74Å; V56-F141 HydrophobicContact CG2-CD1 4.36Å; V56-F141 HydrophobicContact CG2-CE1 4.34Å; F106-F141 HydrophobicContact CB-CZ 4.2Å; F106-F141 HydrophobicContact CD1-CE2 4.14Å; F106-F141 HydrophobicContact CD1-CZ 4.12Å; F106-F141 HydrophobicContact CE1-CE2 4.39Å; F106-F141 HydrophobicContact CG-CZ 4.19Å; Y108-F141 HydrophobicContact CD1-CE1 4.15Å; Y108-F141 HydrophobicContact CG-CE1 4.11Å; V113-F141 HydrophobicContact CB-CD1 4.14Å; V113-F141 HydrophobicContact CG2-CD1 3.91Å; V113-F141 HydrophobicContact CG2-CE1 4.25Å; E114-F141 CarbonylContact O-C 3.48Å; E114-F141 WeakPolarHBondContact O-CA 3.49Å; V115-F141 HydrophobicContact CG2-CD1 4.13Å; V115-F141 HydrophobicContact CG2-CE1 3.67Å; V115-F141 HydrophobicContact CG2-CZ 4.41Å; V139-F141 HydrophobicContact CB-CD2 4.38Å; V139-F141 HydrophobicContact CB-CE2 3.7Å; V139-F141 HydrophobicContact CB-CZ 4.16Å; V139-F141 HydrophobicContact CG1-CD2 3.95Å; V139-F141 HydrophobicContact CG1-CE1 4.11Å; V139-F141 HydrophobicContact CG1-CE2 3.38Å; V139-F141 HydrophobicContact CG1-CZ 3.48Å; V139-F141 VanDerWaalsContact CG1-CZ 3.48Å; F141-E150 VanDerWaalsContact O-CA 3.28Å; F141-E150 WeakPolarHBondContact O-CA 3.22Å; F141-E150 VanDerWaalsContact O-CG 3.26Å; F141-E150 WeakPolarHBondContact O-CG 3.29Å; F141-F151 HydrophobicContact CB-CD2 4.43Å; F141-F151 HydrophobicContact CB-CE1 4.44Å; F141-F151 HydrophobicContact CB-CE2 3.95Å; F141-F151 HydrophobicContact CB-CZ 3.95Å; F141-F151 HydrophobicContact CD2-CE2 4.08Å; F141-F151 HydrophobicContact CG-CE2 4.33Å; F141-F151 PolarHBondContact N-O 2.99Å; F141-F151 PolarHBondContact O-N 2.57Å; F141-L153 HydrophobicContact CD2-CD1 4.07Å; F141-L153 HydrophobicContact CD2-CG 4.07Å; F141-L153 HydrophobicContact CE2-CB 4.5Å; F141-L153 HydrophobicContact CE2-CD1 3.82Å; F141-L153 HydrophobicContact CE2-CG 4.15Å |
| 142 | K | 98.7 | Very high | 97.7 | Very high | 83 Ų | 83 | 29.9 Ų | 29.9 | 36% | 0.361 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 126.5 | 161.6 | -71.6 | 171.9 | -176.2 | 173.2 | 0 | 108.7 | V113 E114 A116 Q149 E150 | V113-K142 CarbonylContact C-O 3.57Å; V113-K142 WeakPolarHBondContact CA-O 3.35Å; E114-K142 HydrophobicContact CB-CB 4.42Å; E114-K142 PolarHBondContact N-O 3.06Å; E114-K142 PolarHBondContact O-N 3.28Å; A116-K142 HydrophobicContact CB-CD 4.02Å; A116-K142 HydrophobicContact CB-CG 3.94Å; K142-Q149 CarbonylContact C-O 3.47Å; K142-E150 VanDerWaalsContact CE-OE2 3.29Å; K142-E150 WeakPolarHBondContact CE-OE2 3.2Å; K142-E150 HydrophobicContact CG-CG 3.94Å; K142-E150 WeakPolarHBondContact CG-OE2 3.39Å |
| 143 | A | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 77.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | F23 V113 K145 T146 Q149 F151 | F23-A143 HydrophobicContact CD2-CB 4.5Å; F23-A143 HydrophobicContact CE2-CB 3.76Å; F23-A143 HydrophobicContact CZ-CB 3.81Å; V113-A143 HydrophobicContact CG1-CB 3.82Å; A143-K145 PolarHBondContact O-N 2.87Å; A143-T146 HydrophobicContact CB-CG2 3.73Å; A143-T146 WeakPolarHBondContact O-CB 3.28Å; A143-T146 PolarHBondContact O-N 3.45Å; A143-T146 PolarHBondContact O-OG1 3.15Å; A143-Q149 CarbonylContact C-O 3.57Å; A143-Q149 PolarHBondContact N-O 3.48Å; A143-Q149 WeakPolarHBondContact O-CA 3.39Å; A143-F151 HydrophobicContact CB-CE1 3.7Å |
| 144 | P | 95.7 | Very high | 97.9 | Very high | 86 Ų | 86 | 29.2 Ų | 29.2 | 56% | 0.558 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -23.9 | -166.4 | -26.2 | 34.6 | 0 | 0 | 0 | 115.3 | T146 | P144-T146 VanDerWaalsContact C-N 3.33Š|
| 145 | K | 94.5 | Very high | 97.9 | Very high | 106 Ų | 106 | 28.4 Ų | 28.4 | 46% | 0.461 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -13.6 | 177.9 | -66 | -178 | 179.4 | 175 | 0 | 113.3 | A143 V285 V286 | A143-K145 PolarHBondContact O-N 2.87Å; K145-V285 CarbonylContact O-C 3.59Å; K145-V285 WeakPolarHBondContact O-CA 3.12Å; K145-V285 VanDerWaalsContact O-CB 3.3Å; K145-V285 WeakPolarHBondContact O-CB 3.3Å; K145-V286 WeakPolarHBondContact O-CG2 3.3Å; K145-V286 PolarHBondContact O-N 3.16Å |
| 146 | T | 96.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -83.4 | 152.7 | 176.2 | 68.6 | 0 | 0 | 0 | 0 | 110.7 | F23 A143 P144 I148 Q149 L283 | F23-T146 HydrophobicContact CB-CG2 3.69Å; F23-T146 HydrophobicContact CD1-CG2 3.67Å; F23-T146 HydrophobicContact CD2-CG2 3.52Å; F23-T146 HydrophobicContact CE1-CG2 4.16Å; F23-T146 HydrophobicContact CE2-CG2 4.03Å; F23-T146 HydrophobicContact CG-CG2 3.31Å; F23-T146 HydrophobicContact CZ-CG2 4.33Å; A143-T146 HydrophobicContact CB-CG2 3.73Å; A143-T146 WeakPolarHBondContact O-CB 3.28Å; A143-T146 PolarHBondContact O-N 3.45Å; A143-T146 PolarHBondContact O-OG1 3.15Å; P144-T146 VanDerWaalsContact C-N 3.33Å; T146-I148 PolarHBondContact O-N 3.09Å; T146-Q149 VanDerWaalsContact O-CG 3.24Å; T146-Q149 WeakPolarHBondContact O-CG 3.5Å; T146-Q149 PolarHBondContact O-N 3.37Å; T146-Q149 WeakPolarHBondContact OG1-CA 3.23Å; T146-Q149 PolarHBondContact OG1-N 2.99Å; T146-L283 HydrophobicContact CG2-CB 4.32Å; T146-L283 HydrophobicContact CG2-CD1 4.35Å |
| 147 | S | 95.1 | Very high | 97.9 | Very high | 50 Ų | 50 | 26.8 Ų | 26.8 | 35% | 0.35 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -63.5 | -25.7 | 173.9 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | K284 | S147-K284 WeakPolarHBondContact CB-O 3.44Å; S147-K284 PolarHBondContact N-O 2.87Å; S147-K284 PolarHBondContact OG-O 3.34Å; S147-K284 VanDerWaalsContact OG-O 3.06Å |
| 148 | I | 96 | Very high | 97.9 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 4% | 0.041 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -86.4 | -20.6 | 177.6 | -160.4 | 167.2 | 0 | 0 | 0 | 113 | T146 E150 F151 N185 F245 A248 L283 | T146-I148 PolarHBondContact O-N 3.09Å; I148-E150 PolarHBondContact O-N 2.88Å; I148-F151 HydrophobicContact CD1-CB 4.43Å; I148-F151 HydrophobicContact CG2-CB 4.38Å; I148-F151 HydrophobicContact CG2-CD1 3.78Å; I148-F151 HydrophobicContact CG2-CG 4.49Å; I148-N185 HydrophobicContact CD1-CB 3.72Å; I148-N185 HydrophobicContact CG1-CB 4.05Å; I148-N185 VanDerWaalsContact CG1-ND2 3.34Å; I148-N185 WeakPolarHBondContact CG1-ND2 3.48Å; I148-F245 HydrophobicContact CD1-CB 3.84Å; I148-F245 HydrophobicContact CD1-CD1 3.58Å; I148-F245 HydrophobicContact CD1-CD2 3.43Å; I148-F245 VanDerWaalsContact CD1-CD2 3.43Å; I148-F245 HydrophobicContact CD1-CE1 3.85Å; I148-F245 HydrophobicContact CD1-CE2 3.73Å; I148-F245 HydrophobicContact CD1-CG 3.32Å; I148-F245 HydrophobicContact CD1-CZ 3.91Å; I148-A248 HydrophobicContact CB-CB 3.9Å; I148-A248 HydrophobicContact CD1-CB 4.36Å; I148-L283 HydrophobicContact CG2-CD1 4Å |
| 149 | Q | 97.1 | Very high | 97.7 | Very high | 116 Ų | 116 | 27.7 Ų | 27.7 | 54% | 0.542 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.4 | -33.9 | 176.2 | -61.1 | -179.9 | 12.5 | 0 | 0 | 116.8 | K142 A143 T146 | K142-Q149 CarbonylContact C-O 3.47Å; A143-Q149 CarbonylContact C-O 3.57Å; A143-Q149 PolarHBondContact N-O 3.48Å; A143-Q149 WeakPolarHBondContact O-CA 3.39Å; T146-Q149 VanDerWaalsContact O-CG 3.24Å; T146-Q149 WeakPolarHBondContact O-CG 3.5Å; T146-Q149 PolarHBondContact O-N 3.37Å; T146-Q149 WeakPolarHBondContact OG1-CA 3.23Å; T146-Q149 PolarHBondContact OG1-N 2.99Å |
| 150 | E | 98.3 | Very high | 97.5 | Very high | 44 Ų | 44 | 30 Ų | 30 | 21% | 0.206 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 133.4 | 177.8 | -166.5 | -175.9 | 74.2 | 0 | 0 | 109.4 | R140 F141 K142 I148 N185 | R140-E150 HydrophobicContact CG-CG 4.36Å; R140-E150 IonicContact CZ-OE1 3.6Å; R140-E150 VanDerWaalsContact CZ-OE1 3.24Å; R140-E150 IonicContact CZ-OE2 3.4Å; R140-E150 VanDerWaalsContact NE-CD 3.26Å; R140-E150 IonicContact NE-OE1 3.73Å; R140-E150 PolarHBondContact NE-OE1 3.47Å; R140-E150 IonicContact NE-OE2 3.15Å; R140-E150 PolarHBondContact NE-OE2 3.08Å; R140-E150 IonicContact NH2-OE1 2.8Å; R140-E150 PolarHBondContact NH2-OE1 2.7Å; R140-E150 IonicContact NH2-OE2 3.73Å; F141-E150 VanDerWaalsContact O-CA 3.28Å; F141-E150 WeakPolarHBondContact O-CA 3.22Å; F141-E150 VanDerWaalsContact O-CG 3.26Å; F141-E150 WeakPolarHBondContact O-CG 3.29Å; K142-E150 VanDerWaalsContact CE-OE2 3.29Å; K142-E150 WeakPolarHBondContact CE-OE2 3.2Å; K142-E150 HydrophobicContact CG-CG 3.94Å; K142-E150 WeakPolarHBondContact CG-OE2 3.39Å; I148-E150 PolarHBondContact O-N 2.88Å; E150-N185 WeakPolarHBondContact O-CB 3.31Å; E150-N185 PolarHBondContact O-ND2 2.93Å |
| 151 | F | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 163.4 | -177.8 | 59 | -93.2 | 0 | 0 | 0 | 111.2 | F23 I25 F141 A143 I148 L153 N185 F245 L283 | F23-F151 AromaticContact CE1-CE1 3.95Å; F23-F151 HydrophobicContact CE1-CE1 3.95Å; F23-F151 AromaticContact CE1-CZ 3.75Å; F23-F151 HydrophobicContact CE1-CZ 3.75Å; F23-F151 HydrophobicContact CZ-CE1 4.12Å; F23-F151 AromaticContact CZ-CZ 3.93Å; F23-F151 HydrophobicContact CZ-CZ 3.93Å; I25-F151 HydrophobicContact CD1-CD2 4.32Å; I25-F151 HydrophobicContact CD1-CE1 4.4Å; I25-F151 HydrophobicContact CD1-CE2 3.65Å; I25-F151 HydrophobicContact CD1-CZ 3.69Å; I25-F151 HydrophobicContact CG1-CZ 4.38Å; F141-F151 HydrophobicContact CB-CD2 4.43Å; F141-F151 HydrophobicContact CB-CE1 4.44Å; F141-F151 HydrophobicContact CB-CE2 3.95Å; F141-F151 HydrophobicContact CB-CZ 3.95Å; F141-F151 HydrophobicContact CD2-CE2 4.08Å; F141-F151 HydrophobicContact CG-CE2 4.33Å; F141-F151 PolarHBondContact N-O 2.99Å; F141-F151 PolarHBondContact O-N 2.57Å; A143-F151 HydrophobicContact CB-CE1 3.7Å; I148-F151 HydrophobicContact CD1-CB 4.43Å; I148-F151 HydrophobicContact CG2-CB 4.38Å; I148-F151 HydrophobicContact CG2-CD1 3.78Å; I148-F151 HydrophobicContact CG2-CG 4.49Å; F151-L153 HydrophobicContact CD2-CD2 3.65Å; F151-L153 HydrophobicContact CD2-CG 3.99Å; F151-L153 HydrophobicContact CE2-CD1 4.1Å; F151-L153 HydrophobicContact CE2-CD2 3.72Å; F151-L153 HydrophobicContact CE2-CG 3.82Å; F151-N185 CarbonylContact C-O 3.42Å; F151-N185 WeakPolarHBondContact CA-O 3.45Å; F151-N185 HydrophobicContact CB-CB 4.35Å; F151-F245 HydrophobicContact CB-CE2 3.67Å; F151-F245 HydrophobicContact CB-CZ 3.8Å; F151-F245 HydrophobicContact CD2-CZ 4.48Å; F151-F245 HydrophobicContact CG-CZ 4.18Å; F151-L283 HydrophobicContact CD1-CD1 4.23Å; F151-L283 HydrophobicContact CE1-CD1 4.03Å |
| 152 | V | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 136 | 177.9 | 175.1 | 0 | 0 | 0 | 0 | 109.5 | V138 V139 R140 I154 V177 W181 T183 N185 V186 M187 | V138-V152 HydrophobicContact CG1-CG1 3.3Å; V139-V152 WeakPolarHBondContact O-CA 3.28Å; R140-V152 HydrophobicContact CB-CG2 4.17Å; R140-V152 HydrophobicContact CG-CG2 4.03Å; V152-I154 HydrophobicContact CG1-CG1 4.3Å; V152-V177 HydrophobicContact CB-CG1 4.45Å; V152-V177 HydrophobicContact CG1-CG1 3.73Å; V152-V177 HydrophobicContact CG2-CG1 4.48Å; V152-W181 HydrophobicContact CB-CE3 4.47Å; V152-W181 HydrophobicContact CB-CZ3 4.35Å; V152-W181 HydrophobicContact CG1-CE3 4.07Å; V152-W181 HydrophobicContact CG1-CZ3 3.6Å; V152-W181 HydrophobicContact CG2-CE3 3.54Å; V152-W181 HydrophobicContact CG2-CZ3 3.79Å; V152-T183 HydrophobicContact CG2-CG2 3.77Å; V152-N185 PolarHBondContact N-O 3.24Å; V152-V186 HydrophobicContact CB-CG1 4.42Å; V152-V186 HydrophobicContact CB-CG2 4.26Å; V152-V186 HydrophobicContact CG1-CG1 4.39Å; V152-M187 PolarHBondContact O-N 3.45Å |
| 153 | L | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 121.8 | 171.5 | -59.1 | -169.5 | 0 | 0 | 0 | 109.7 | I25 V56 F106 V138 V139 F141 F151 M187 L189 | I25-L153 HydrophobicContact CD1-CD2 4.41Å; I25-L153 HydrophobicContact CG2-CD1 4.08Å; I25-L153 HydrophobicContact CG2-CD2 4.47Å; V56-L153 HydrophobicContact CG1-CD1 3.73Å; F106-L153 HydrophobicContact CD1-CD1 4.25Å; F106-L153 HydrophobicContact CE1-CB 3.9Å; F106-L153 HydrophobicContact CE1-CD1 3.67Å; F106-L153 HydrophobicContact CE1-CG 4.43Å; F106-L153 HydrophobicContact CZ-CB 4Å; V138-L153 WeakPolarHBondContact CA-O 3.41Å; V138-L153 WeakPolarHBondContact CG1-O 3.44Å; V139-L153 PolarHBondContact N-O 3.21Å; V139-L153 PolarHBondContact O-N 2.93Å; F141-L153 HydrophobicContact CD2-CD1 4.07Å; F141-L153 HydrophobicContact CD2-CG 4.07Å; F141-L153 HydrophobicContact CE2-CB 4.5Å; F141-L153 HydrophobicContact CE2-CD1 3.82Å; F141-L153 HydrophobicContact CE2-CG 4.15Å; F151-L153 HydrophobicContact CD2-CD2 3.65Å; F151-L153 HydrophobicContact CD2-CG 3.99Å; F151-L153 HydrophobicContact CE2-CD1 4.1Å; F151-L153 HydrophobicContact CE2-CD2 3.72Å; F151-L153 HydrophobicContact CE2-CG 3.82Å; L153-M187 CarbonylContact C-O 3.58Å; L153-M187 WeakPolarHBondContact CA-O 3.25Å; L153-M187 HydrophobicContact CD2-CB 3.75Å; L153-M187 HydrophobicContact CD2-CG 4.08Å; L153-M187 HydrophobicContact CD2-SD 3.8Å; L153-L189 HydrophobicContact CB-CD2 3.98Å; L153-L189 HydrophobicContact CD1-CD1 4.5Å; L153-L189 HydrophobicContact CD2-CD2 4.36Å |
| 154 | I | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 102.4 | 170.9 | -58.9 | 176 | 0 | 0 | 0 | 107.3 | P136 V138 V152 L170 V173 L174 V177 V186 M187 L188 L189 | P136-I154 HydrophobicContact CB-CG2 3.98Å; V138-I154 HydrophobicContact CG1-CG1 3.82Å; V138-I154 HydrophobicContact CG2-CG1 4.05Å; V138-I154 HydrophobicContact CG2-CG2 4.29Å; V152-I154 HydrophobicContact CG1-CG1 4.3Å; I154-L170 HydrophobicContact CG2-CD1 3.88Å; I154-V173 HydrophobicContact CD1-CG1 4.32Å; I154-V173 HydrophobicContact CG2-CG1 4.05Å; I154-L174 HydrophobicContact CD1-CB 4.41Å; I154-V177 HydrophobicContact CD1-CB 4.27Å; I154-V177 HydrophobicContact CD1-CG1 4.38Å; I154-V177 HydrophobicContact CD1-CG2 4.11Å; I154-V186 HydrophobicContact CD1-CG1 3.49Å; I154-V186 VanDerWaalsContact CD1-CG1 3.49Å; I154-V186 HydrophobicContact CG1-CG1 3.87Å; I154-M187 PolarHBondContact N-O 3.18Å; I154-L188 HydrophobicContact CB-CB 4.49Å; I154-L188 HydrophobicContact CB-CD2 4.24Å; I154-L188 HydrophobicContact CB-CG 4.11Å; I154-L188 HydrophobicContact CD1-CD2 4.15Å; I154-L188 HydrophobicContact CD1-CG 4.29Å; I154-L188 HydrophobicContact CG2-CD2 4.23Å; I154-L188 VanDerWaalsContact O-CA 3.31Å; I154-L188 WeakPolarHBondContact O-CA 3.44Å; I154-L189 PolarHBondContact O-N 3.44Å; I154-L189 VanDerWaalsContact O-N 3.08Å |
| 155 | P | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 145.8 | 176.4 | 33.7 | -34.7 | 0 | 0 | 0 | 110.5 | L58 Y104 F106 F137 L189 | L58-P155 HydrophobicContact CD1-CB 3.59Å; L58-P155 HydrophobicContact CD1-CG 4.41Å; L58-P155 HydrophobicContact CD2-CB 3.4Å; L58-P155 HydrophobicContact CG-CB 4.13Å; Y104-P155 HydrophobicContact CD1-CB 3.89Å; Y104-P155 HydrophobicContact CD1-CG 4.24Å; Y104-P155 HydrophobicContact CD2-CG 4.11Å; Y104-P155 HydrophobicContact CE1-CB 4.19Å; Y104-P155 HydrophobicContact CE2-CG 4.5Å; Y104-P155 HydrophobicContact CG-CB 4.11Å; Y104-P155 HydrophobicContact CG-CG 3.95Å; F106-P155 HydrophobicContact CE2-CG 4.1Å; F106-P155 HydrophobicContact CZ-CB 4.16Å; F106-P155 HydrophobicContact CZ-CG 4.01Å; F137-P155 HydrophobicContact CB-CG 4.3Å; F137-P155 WeakPolarHBondContact O-CD 3.42Å; F137-P155 WeakPolarHBondContact O-CG 3.44Å; P155-L189 CarbonylContact C-O 3.5Å; P155-L189 VanDerWaalsContact CA-O 3.3Å; P155-L189 WeakPolarHBondContact CA-O 3.25Å |
| 156 | Q | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -144.9 | 131.4 | 163.3 | -175 | 58.9 | 4.4 | 0 | 0 | 112.7 | Q60 Y104 F132 R134 T158 E166 L170 L189 G190 D191 F192 | Q60-Q156 PolarHBondContact NE2-O 3.31Å; Y104-Q156 PolarHBondContact OH-OE1 2.89Å; Y104-Q156 VanDerWaalsContact OH-OE1 3.04Å; F132-Q156 VanDerWaalsContact CD1-NE2 3.32Å; R134-Q156 PolarHBondContact O-OE1 3.48Å; Q156-T158 HydrophobicContact CG-CG2 3.67Å; Q156-E166 PolarHBondContact NE2-OE2 3.14Å; Q156-L170 HydrophobicContact CB-CD1 4.1Å; Q156-L170 HydrophobicContact CB-CD2 3.87Å; Q156-L170 HydrophobicContact CG-CD1 4.34Å; Q156-L170 HydrophobicContact CG-CD2 4.3Å; Q156-L189 PolarHBondContact N-O 2.99Å; Q156-G190 CarbonylContact O-C 3.58Å; Q156-G190 WeakPolarHBondContact O-CA 3.21Å; Q156-D191 PolarHBondContact O-N 2.87Å; Q156-F192 HydrophobicContact CB-CD1 4.15Å; Q156-F192 HydrophobicContact CB-CE1 3.76Å | ||
| 157 | H | 98.6 | Very high | 96.9 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.037 | 16% | 0.163 | C | C | . | . | trans | -112.8 | 100 | 163.6 | 176.8 | -158.5 | 0 | 0 | 0 | 107 | Q60 E61 E102 Y104 R134 D191 | Q60-H157 HydrophobicContact CB-CB 4.45Å; E61-H157 WeakPolarHBondContact CG-CE1 3.39Å; E61-H157 IonicContact OE1-CE1 2.89Å; E61-H157 PolarHBondContact OE1-CE1 3.46Å; E61-H157 VanDerWaalsContact OE1-CE1 3.3Å; E61-H157 IonicContact OE1-NE2 3.77Å; E102-H157 IonicContact OE1-CE1 2.77Å; E102-H157 IonicContact OE1-ND1 3.92Å; E102-H157 IonicContact OE2-CE1 3.26Å; E102-H157 PolarHBondContact OE2-CE1 2.78Å; E102-H157 IonicContact OE2-CG 3.94Å; E102-H157 IonicContact OE2-ND1 2.95Å; E102-H157 PolarHBondContact OE2-ND1 3.3Å; Y104-H157 HydrophobicContact CE1-CB 3.94Å; Y104-H157 PolarHBondContact OH-N 2.78Å; R134-H157 PolarHBondContact NE-ND1 3.3Å; R134-H157 PolarHBondContact NE-O 3.48Å; R134-H157 PolarHBondContact NH1-CE1 2.77Å; R134-H157 PolarHBondContact NH1-ND1 3.21Å; R134-H157 PolarHBondContact NH2-O 3.19Å; H157-D191 CarbonylContact C-O 3.57Å; H157-D191 VanDerWaalsContact CA-O 3.27Å; H157-D191 WeakPolarHBondContact CA-O 3.41Å; H157-D191 IonicContact CD2-OD2 3.09Å; H157-D191 PolarHBondContact CD2-OD2 2.91Å; H157-D191 IonicContact NE2-OD2 3.28Å | ||
| 158 | T | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -76.2 | 155.9 | -178 | 58.5 | 0 | 0 | 0 | 0 | 111.8 | R134 Q156 E166 L167 D191 F192 N193 | R134-T158 PolarHBondContact NH2-O 3.36Å; Q156-T158 HydrophobicContact CG-CG2 3.67Å; T158-E166 VanDerWaalsContact CA-OE2 3.27Å; T158-E166 WeakPolarHBondContact CA-OE2 3.11Å; T158-E166 HydrophobicContact CG2-CB 3.83Å; T158-L167 HydrophobicContact CG2-CD2 4.13Å; T158-L167 HydrophobicContact CG2-CG 4.19Å; T158-D191 PolarHBondContact N-O 3.47Å; T158-F192 PolarHBondContact OG1-O 2.94Å; T158-N193 PolarHBondContact O-ND2 2.92Å; T158-N193 VanDerWaalsContact O-ND2 3.1Å; T158-N193 WeakPolarHBondContact OG1-CB 3.47Å; T158-N193 PolarHBondContact OG1-ND2 3.08Å | ||
| 159 | T | 96.1 | Very high | 97.2 | Very high | 26 Ų | 26 | 28.9 Ų | 28.9 | 16% | 0.16 | 16% | 0.155 | C | C | . | . | trans | -78.2 | 139.5 | 164.1 | 56.4 | 0 | 0 | 0 | 0 | 110.9 | S133 V161 N162 A163 E166 | S133-T159 VanDerWaalsContact CB-CG2 3.44Å; S133-T159 WeakPolarHBondContact OG-CG2 3.46Å; T159-V161 PolarHBondContact O-N 3.23Å; T159-V161 VanDerWaalsContact O-N 3.14Å; T159-N162 CarbonylContact O-C 3.58Å; T159-N162 PolarHBondContact O-N 3.01Å; T159-N162 VanDerWaalsContact O-N 3.08Å; T159-N162 WeakPolarHBondContact OG1-CB 3.11Å; T159-N162 PolarHBondContact OG1-ND2 3.26Å; T159-A163 PolarHBondContact O-N 2.97Å; T159-E166 PolarHBondContact N-OE1 3.48Å; T159-E166 VanDerWaalsContact N-OE1 3.07Å; T159-E166 PolarHBondContact OG1-OE1 2.92Å | ||
| 160 | P | 93.4 | Very high | 97.3 | Very high | 48 Ų | 48 | 23.3 Ų | 23.3 | 31% | 0.312 | 13% | 0.129 | S | C | . | . | G | 310 helix | trans | -53.7 | -38.4 | 180 | -28.6 | 33.1 | 0 | 0 | 0 | 113.8 | Y198 | P160-Y198 HydrophobicContact CB-CD1 3.72Å; P160-Y198 HydrophobicContact CB-CD2 3.94Å; P160-Y198 HydrophobicContact CB-CE1 3.7Å; P160-Y198 HydrophobicContact CB-CE2 3.88Å; P160-Y198 HydrophobicContact CB-CG 3.85Å; P160-Y198 HydrophobicContact CG-CE2 4.2Å |
| 161 | V | 93.2 | Very high | 97.3 | Very high | 133 Ų | 133 | 23.5 Ų | 23.5 | 81% | 0.806 | 13% | 0.128 | S | C | * | . | G | 310 helix | trans | -72.8 | -31.9 | -177.9 | -178.1 | 0 | 0 | 0 | 0 | 112.3 | T159 | T159-V161 PolarHBondContact O-N 3.23Å; T159-V161 VanDerWaalsContact O-N 3.14Å |
| 162 | N | 94.3 | Very high | 97.2 | Very high | 71 Ų | 71 | 25.1 Ų | 25.1 | 38% | 0.38 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | -109.2 | 14.1 | -178.3 | -59.7 | -47.6 | 0 | 0 | 0 | 113.4 | T159 T164 K165 E166 | T159-N162 CarbonylContact O-C 3.58Å; T159-N162 PolarHBondContact O-N 3.01Å; T159-N162 VanDerWaalsContact O-N 3.08Å; T159-N162 WeakPolarHBondContact OG1-CB 3.11Å; T159-N162 PolarHBondContact OG1-ND2 3.26Å; N162-T164 PolarHBondContact O-N 2.96Å; N162-T164 VanDerWaalsContact O-N 3.12Å; N162-K165 PolarHBondContact O-N 3.16Å; N162-E166 HydrophobicContact CB-CG 4.12Å; N162-E166 PolarHBondContact O-N 2.97Å |
| 163 | A | 95.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -51.6 | -42.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T159 K165 L167 N193 | T159-A163 PolarHBondContact O-N 2.97Å; A163-K165 PolarHBondContact O-N 3.38Å; A163-L167 VanDerWaalsContact O-CB 3.24Å; A163-L167 WeakPolarHBondContact O-CB 3.4Å; A163-L167 WeakPolarHBondContact O-CD1 3.35Å; A163-L167 WeakPolarHBondContact O-CG 3.06Å; A163-L167 PolarHBondContact O-N 3.46Å; A163-N193 HydrophobicContact CB-CB 4.06Å |
| 164 | T | 95.5 | Very high | 97.2 | Very high | 34 Ų | 34 | 25.1 Ų | 25.1 | 21% | 0.209 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.9 | -46.5 | 175.8 | -57.7 | 0 | 0 | 0 | 0 | 112.4 | N162 D168 L199 N203 V207 | N162-T164 PolarHBondContact O-N 2.96Å; N162-T164 VanDerWaalsContact O-N 3.12Å; T164-D168 PolarHBondContact O-N 3.07Å; T164-L199 HydrophobicContact CG2-CD1 4.49Å; T164-L199 WeakPolarHBondContact OG1-CD1 3.15Å; T164-N203 HydrophobicContact CG2-CB 3.82Å; T164-N203 PolarHBondContact OG1-ND2 3.08Å; T164-V207 HydrophobicContact CG2-CG2 3.92Å |
| 165 | K | 95.9 | Very high | 97.2 | Very high | 88 Ų | 88 | 27.9 Ų | 27.9 | 38% | 0.383 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -67.2 | -51.4 | -178.5 | -178.4 | -176.4 | 177.8 | -176.8 | 0 | 110.5 | D128 N162 A163 L167 D168 A169 | D128-K165 WeakPolarHBondContact OD1-CE 3.24Å; D128-K165 IonicContact OD1-NZ 3.7Å; D128-K165 PolarHBondContact OD1-NZ 2.89Å; N162-K165 PolarHBondContact O-N 3.16Å; A163-K165 PolarHBondContact O-N 3.38Å; K165-L167 VanDerWaalsContact C-N 3.31Å; K165-L167 PolarHBondContact O-N 3.47Å; K165-D168 PolarHBondContact O-N 2.04Å; K165-D168 VanDerWaalsContact O-N 3.16Å; K165-A169 PolarHBondContact O-N 3.18Å |
| 166 | E | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.5 | -38.7 | -177.5 | -67.7 | -170.2 | -140.4 | 0 | 0 | 111.4 | A131 F132 S133 Q156 T158 T159 N162 A169 L170 | A131-E166 WeakPolarHBondContact O-CG 3.46Å; F132-E166 HydrophobicContact CD1-CB 4.03Å; F132-E166 HydrophobicContact CD1-CG 4.15Å; F132-E166 HydrophobicContact CE1-CB 4.26Å; F132-E166 WeakPolarHBondContact CE1-O 3.22Å; S133-E166 PolarHBondContact OG-OE1 3.37Å; Q156-E166 PolarHBondContact NE2-OE2 3.14Å; T158-E166 VanDerWaalsContact CA-OE2 3.27Å; T158-E166 WeakPolarHBondContact CA-OE2 3.11Å; T158-E166 HydrophobicContact CG2-CB 3.83Å; T159-E166 PolarHBondContact N-OE1 3.48Å; T159-E166 VanDerWaalsContact N-OE1 3.07Å; T159-E166 PolarHBondContact OG1-OE1 2.92Å; N162-E166 HydrophobicContact CB-CG 4.12Å; N162-E166 PolarHBondContact O-N 2.97Å; E166-A169 PolarHBondContact O-N 3.23Å; E166-L170 WeakPolarHBondContact O-CB 3.45Å; E166-L170 PolarHBondContact O-N 3.28Å |
| 167 | L | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.3 | -35.4 | 175.8 | -70.9 | 173 | 0 | 0 | 0 | 113.2 | T158 A163 K165 F192 A194 L199 V207 L209 | T158-L167 HydrophobicContact CG2-CD2 4.13Å; T158-L167 HydrophobicContact CG2-CG 4.19Å; A163-L167 VanDerWaalsContact O-CB 3.24Å; A163-L167 WeakPolarHBondContact O-CB 3.4Å; A163-L167 WeakPolarHBondContact O-CD1 3.35Å; A163-L167 WeakPolarHBondContact O-CG 3.06Å; A163-L167 PolarHBondContact O-N 3.46Å; K165-L167 VanDerWaalsContact C-N 3.31Å; K165-L167 PolarHBondContact O-N 3.47Å; L167-F192 HydrophobicContact CD2-CB 3.81Å; L167-F192 HydrophobicContact CD2-CD1 4.44Å; L167-F192 HydrophobicContact CD2-CD2 3.51Å; L167-F192 HydrophobicContact CD2-CE2 4.18Å; L167-F192 HydrophobicContact CD2-CG 3.67Å; L167-A194 HydrophobicContact CD1-CB 4.17Å; L167-L199 HydrophobicContact CD1-CD2 4.03Å; L167-V207 HydrophobicContact CB-CG1 3.82Å; L167-L209 HydrophobicContact CD2-CD2 4.13Å; L167-L209 WeakPolarHBondContact O-CB 3.44Å |
| 168 | D | 97.8 | Very high | 97.2 | Very high | 35 Ų | 35 | 32.5 Ų | 32.5 | 19% | 0.187 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.3 | -45.1 | 175.1 | -171.9 | 64.5 | 0 | 0 | 0 | 111.3 | T164 K165 L170 Y171 V207 R208 | T164-D168 PolarHBondContact O-N 3.07Å; K165-D168 PolarHBondContact O-N 2.04Å; K165-D168 VanDerWaalsContact O-N 3.16Å; D168-L170 PolarHBondContact O-N 2.98Å; D168-Y171 WeakPolarHBondContact O-CB 3.26Å; D168-Y171 PolarHBondContact O-N 3.39Å; D168-Y171 VanDerWaalsContact O-N 3.07Å; D168-V207 HydrophobicContact CB-CG1 4.43Å; D168-R208 WeakPolarHBondContact OD1-CB 3.33Å; D168-R208 WeakPolarHBondContact OD1-CG 2.83Å; D168-R208 IonicContact OD1-CZ 3.14Å; D168-R208 PolarHBondContact OD1-N 2.73Å; D168-R208 IonicContact OD1-NE 3.39Å; D168-R208 PolarHBondContact OD1-NE 2.83Å; D168-R208 IonicContact OD1-NH2 3.34Å; D168-R208 IonicContact OD2-CZ 3.63Å; D168-R208 IonicContact OD2-NE 3.23Å; D168-R208 PolarHBondContact OD2-NE 3.23Å; D168-R208 IonicContact OD2-NH2 3.23Å; D168-R208 PolarHBondContact OD2-NH2 3.25Å |
| 169 | A | 98.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 3% | 0.025 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.1 | -29.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A131 F132 K165 E166 Y171 D172 V173 | A131-A169 HydrophobicContact CB-CB 3.77Å; F132-A169 HydrophobicContact CE1-CB 4.09Å; F132-A169 HydrophobicContact CE2-CB 3.97Å; F132-A169 HydrophobicContact CZ-CB 3.56Å; K165-A169 PolarHBondContact O-N 3.18Å; E166-A169 PolarHBondContact O-N 3.23Å; A169-Y171 PolarHBondContact O-N 2.99Å; A169-Y171 VanDerWaalsContact O-N 3.14Å; A169-D172 WeakPolarHBondContact O-CB 3.27Å; A169-D172 PolarHBondContact O-N 2.98Å; A169-V173 PolarHBondContact O-N 2.97Å |
| 170 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.3 | -22 | 177.3 | -159 | 66.5 | 0 | 0 | 0 | 112.6 | F132 P136 I154 Q156 E166 D168 D172 V173 L174 L188 F192 L209 | F132-L170 HydrophobicContact CE1-CB 4.31Å; F132-L170 HydrophobicContact CE1-CD1 4.06Å; F132-L170 HydrophobicContact CZ-CB 4.38Å; F132-L170 HydrophobicContact CZ-CD1 4.18Å; P136-L170 HydrophobicContact CB-CD1 4.47Å; P136-L170 HydrophobicContact CG-CD1 3.68Å; I154-L170 HydrophobicContact CG2-CD1 3.88Å; Q156-L170 HydrophobicContact CB-CD1 4.1Å; Q156-L170 HydrophobicContact CB-CD2 3.87Å; Q156-L170 HydrophobicContact CG-CD1 4.34Å; Q156-L170 HydrophobicContact CG-CD2 4.3Å; E166-L170 WeakPolarHBondContact O-CB 3.45Å; E166-L170 PolarHBondContact O-N 3.28Å; D168-L170 PolarHBondContact O-N 2.98Å; L170-D172 VanDerWaalsContact C-N 3.35Å; L170-V173 HydrophobicContact CD1-CB 4.35Å; L170-V173 HydrophobicContact CD1-CG2 4.34Å; L170-V173 PolarHBondContact O-N 2.8Å; L170-L174 PolarHBondContact O-N 2.71Å; L170-L174 VanDerWaalsContact O-N 3.08Å; L170-L188 HydrophobicContact CD1-CD2 4.48Å; L170-L188 HydrophobicContact CD2-CB 4.41Å; L170-L188 HydrophobicContact CD2-CD2 3.61Å; L170-L188 HydrophobicContact CG-CD2 3.6Å; L170-F192 HydrophobicContact CD2-CE1 4.32Å; L170-F192 HydrophobicContact CD2-CE2 4.4Å; L170-F192 HydrophobicContact CD2-CZ 3.93Å; L170-L209 HydrophobicContact CB-CD2 4.32Å; L170-L209 HydrophobicContact CD2-CD2 3.91Å |
| 171 | Y | 98.5 | Very high | 97.5 | Very high | 47 Ų | 47 | 42.2 Ų | 42.2 | 18% | 0.184 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.3 | -40.1 | 170 | -176.4 | -91.2 | 0 | 0 | 0 | 112 | D168 A169 L174 Q175 R208 D212 L215 | D168-Y171 WeakPolarHBondContact O-CB 3.26Å; D168-Y171 PolarHBondContact O-N 3.39Å; D168-Y171 VanDerWaalsContact O-N 3.07Å; A169-Y171 PolarHBondContact O-N 2.99Å; A169-Y171 VanDerWaalsContact O-N 3.14Å; Y171-L174 WeakPolarHBondContact O-CB 3.46Å; Y171-L174 PolarHBondContact O-N 2.99Å; Y171-Q175 HydrophobicContact CD1-CG 4Å; Y171-Q175 HydrophobicContact CE1-CG 3.63Å; Y171-Q175 VanDerWaalsContact CZ-NE2 3.27Å; Y171-Q175 WeakPolarHBondContact O-CG 3.36Å; Y171-Q175 PolarHBondContact O-N 2.92Å; Y171-Q175 PolarHBondContact OH-NE2 3.07Å; Y171-R208 HydrophobicContact CD1-CB 4.07Å; Y171-R208 HydrophobicContact CD2-CB 3.73Å; Y171-R208 HydrophobicContact CE2-CB 4.31Å; Y171-R208 HydrophobicContact CG-CB 3.59Å; Y171-D212 HydrophobicContact CE2-CB 4.1Å; Y171-D212 WeakPolarHBondContact CE2-OD2 3.38Å; Y171-D212 PolarHBondContact OH-OD2 2.81Å; Y171-L215 HydrophobicContact CD2-CD1 4.36Å |
| 172 | D | 98.4 | Very high | 97.8 | Very high | 35 Ų | 35 | 45.1 Ų | 45.1 | 19% | 0.187 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.4 | -36.5 | 179.7 | -62.4 | -49 | 0 | 0 | 0 | 111.2 | L125 A169 L170 L174 Q175 E176 R208 | L125-D172 HydrophobicContact CD2-CB 4.25Å; A169-D172 WeakPolarHBondContact O-CB 3.27Å; A169-D172 PolarHBondContact O-N 2.98Å; L170-D172 VanDerWaalsContact C-N 3.35Å; D172-L174 VanDerWaalsContact C-N 3.34Å; D172-L174 PolarHBondContact O-N 3.07Å; D172-Q175 PolarHBondContact O-N 3.07Å; D172-E176 PolarHBondContact O-N 3.36Å; D172-R208 IonicContact OD1-CZ 2.81Å; D172-R208 IonicContact OD1-NH1 2.62Å; D172-R208 PolarHBondContact OD1-NH1 3.04Å; D172-R208 IonicContact OD1-NH2 3.24Å; D172-R208 IonicContact OD2-CZ 3.77Å; D172-R208 IonicContact OD2-NH1 3.16Å; D172-R208 PolarHBondContact OD2-NH1 3.32Å; D172-R208 IonicContact OD2-NH2 2.93Å; D172-R208 PolarHBondContact OD2-NH2 3.45Å |
| 173 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.8 | -45 | 171.3 | -175.1 | 0 | 0 | 0 | 0 | 110.9 | Y121 F132 P136 V138 I154 A169 L170 Q175 E176 V177 | Y121-V173 HydrophobicContact CD1-CG2 3.9Å; Y121-V173 HydrophobicContact CD2-CB 4.42Å; Y121-V173 HydrophobicContact CD2-CG1 4.11Å; Y121-V173 HydrophobicContact CD2-CG2 3.93Å; Y121-V173 HydrophobicContact CE1-CG2 3.86Å; Y121-V173 HydrophobicContact CE2-CB 4.49Å; Y121-V173 HydrophobicContact CE2-CG2 3.91Å; Y121-V173 HydrophobicContact CG-CG1 4.34Å; Y121-V173 HydrophobicContact CG-CG2 3.93Å; F132-V173 HydrophobicContact CE2-CG2 3.67Å; F132-V173 HydrophobicContact CZ-CG2 3.64Å; P136-V173 HydrophobicContact CB-CG1 4.15Å; P136-V173 HydrophobicContact CG-CG1 4.3Å; P136-V173 HydrophobicContact CG-CG2 4.2Å; V138-V173 HydrophobicContact CG2-CG1 4.35Å; I154-V173 HydrophobicContact CD1-CG1 4.32Å; I154-V173 HydrophobicContact CG2-CG1 4.05Å; A169-V173 PolarHBondContact O-N 2.97Å; L170-V173 HydrophobicContact CD1-CB 4.35Å; L170-V173 HydrophobicContact CD1-CG2 4.34Å; L170-V173 PolarHBondContact O-N 2.8Å; V173-Q175 PolarHBondContact O-N 2.77Å; V173-E176 PolarHBondContact O-N 2.8Å; V173-V177 HydrophobicContact CG1-CG2 4.35Å; V173-V177 WeakPolarHBondContact O-CB 2.99Å; V173-V177 VanDerWaalsContact O-CG2 3.26Å; V173-V177 WeakPolarHBondContact O-CG2 3.48Å; V173-V177 PolarHBondContact O-N 3.16Å |
| 174 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.5 | -48.1 | 173.9 | 168.8 | 67 | 0 | 0 | 0 | 111.5 | I154 L170 Y171 D172 E176 V177 R178 V186 L188 L215 H241 | I154-L174 HydrophobicContact CD1-CB 4.41Å; L170-L174 PolarHBondContact O-N 2.71Å; L170-L174 VanDerWaalsContact O-N 3.08Å; Y171-L174 WeakPolarHBondContact O-CB 3.46Å; Y171-L174 PolarHBondContact O-N 2.99Å; D172-L174 VanDerWaalsContact C-N 3.34Å; D172-L174 PolarHBondContact O-N 3.07Å; L174-E176 VanDerWaalsContact C-N 3.35Å; L174-E176 PolarHBondContact O-N 3.01Å; L174-V177 PolarHBondContact O-N 3.32Å; L174-R178 HydrophobicContact CD1-CG 3.96Å; L174-R178 HydrophobicContact CG-CG 4.47Å; L174-R178 WeakPolarHBondContact O-CB 3.5Å; L174-R178 WeakPolarHBondContact O-CG 3.43Å; L174-R178 PolarHBondContact O-N 3.44Å; L174-V186 HydrophobicContact CD1-CB 3.7Å; L174-V186 HydrophobicContact CD1-CG1 3.62Å; L174-V186 HydrophobicContact CD1-CG2 3.97Å; L174-L188 HydrophobicContact CB-CD2 4.48Å; L174-L215 HydrophobicContact CD2-CD1 4.24Å; L174-L215 HydrophobicContact CD2-CD2 3.73Å; L174-L215 HydrophobicContact CD2-CG 4.41Å; L174-H241 HydrophobicContact CD1-CB 4.17Å |
| 175 | Q | 98.5 | Very high | 98.2 | Very high | 58 Ų | 58 | 45.7 Ų | 45.7 | 27% | 0.271 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62 | -42.7 | 179.6 | -61.1 | -46.6 | -57.7 | 0 | 0 | 111.9 | Y171 D172 V173 R178 R179 | Y171-Q175 HydrophobicContact CD1-CG 4Å; Y171-Q175 HydrophobicContact CE1-CG 3.63Å; Y171-Q175 VanDerWaalsContact CZ-NE2 3.27Å; Y171-Q175 WeakPolarHBondContact O-CG 3.36Å; Y171-Q175 PolarHBondContact O-N 2.92Å; Y171-Q175 PolarHBondContact OH-NE2 3.07Å; D172-Q175 PolarHBondContact O-N 3.07Å; V173-Q175 PolarHBondContact O-N 2.77Å; Q175-R178 PolarHBondContact O-N 2.75Å; Q175-R179 WeakPolarHBondContact O-CB 3.3Å; Q175-R179 PolarHBondContact O-N 3.43Å |
| 176 | E | 98.4 | Very high | 98.4 | Very high | 49 Ų | 49 | 41.5 Ų | 41.5 | 23% | 0.229 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.8 | -47.6 | 178.8 | 179.2 | 161.3 | 177.7 | 0 | 0 | 112 | Y119 Y121 D172 V173 L174 R178 R179 M180 | Y119-E176 VanDerWaalsContact OH-CD 3.29Å; Y119-E176 PolarHBondContact OH-OE1 2.75Å; Y121-E176 WeakPolarHBondContact CE2-OE2 3.03Å; D172-E176 PolarHBondContact O-N 3.36Å; V173-E176 PolarHBondContact O-N 2.8Å; L174-E176 VanDerWaalsContact C-N 3.35Å; L174-E176 PolarHBondContact O-N 3.01Å; E176-R178 VanDerWaalsContact C-N 3.35Å; E176-R178 PolarHBondContact O-N 3.43Å; E176-R179 PolarHBondContact O-N 2.8Å; E176-M180 HydrophobicContact CG-CE 3.96Å; E176-M180 VanDerWaalsContact O-CB 3.26Å; E176-M180 WeakPolarHBondContact O-CB 3.39Å; E176-M180 PolarHBondContact O-N 3Å |
| 177 | V | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.3 | -44.6 | 178.5 | 165.8 | 0 | 0 | 0 | 0 | 111.3 | Y119 V138 V152 I154 V173 L174 R179 M180 W181 V186 | Y119-V177 HydrophobicContact CD1-CG2 4.44Å; V138-V177 HydrophobicContact CB-CG2 4.42Å; V138-V177 HydrophobicContact CG1-CG1 4.25Å; V138-V177 HydrophobicContact CG1-CG2 3.96Å; V138-V177 HydrophobicContact CG2-CG2 3.97Å; V152-V177 HydrophobicContact CB-CG1 4.45Å; V152-V177 HydrophobicContact CG1-CG1 3.73Å; V152-V177 HydrophobicContact CG2-CG1 4.48Å; I154-V177 HydrophobicContact CD1-CB 4.27Å; I154-V177 HydrophobicContact CD1-CG1 4.38Å; I154-V177 HydrophobicContact CD1-CG2 4.11Å; V173-V177 HydrophobicContact CG1-CG2 4.35Å; V173-V177 WeakPolarHBondContact O-CB 2.99Å; V173-V177 VanDerWaalsContact O-CG2 3.26Å; V173-V177 WeakPolarHBondContact O-CG2 3.48Å; V173-V177 PolarHBondContact O-N 3.16Å; L174-V177 PolarHBondContact O-N 3.32Å; V177-R179 VanDerWaalsContact C-N 3.33Å; V177-R179 PolarHBondContact O-N 2.81Å; V177-M180 PolarHBondContact O-N 2.83Å; V177-W181 HydrophobicContact CG1-CE3 3.8Å; V177-W181 HydrophobicContact CG1-CZ3 4.08Å; V177-W181 PolarHBondContact O-N 2.77Å; V177-V186 HydrophobicContact CG1-CG2 4.35Å |
| 178 | R | 98.4 | Very high | 98.5 | Very high | 55 Ų | 55 | 41.5 Ų | 41.5 | 21% | 0.208 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58 | -46 | 176.4 | -72.9 | 172.5 | 65.9 | -146.1 | 1 | 111.3 | L174 Q175 E176 K182 T183 E184 V186 H241 | L174-R178 HydrophobicContact CD1-CG 3.96Å; L174-R178 HydrophobicContact CG-CG 4.47Å; L174-R178 WeakPolarHBondContact O-CB 3.5Å; L174-R178 WeakPolarHBondContact O-CG 3.43Å; L174-R178 PolarHBondContact O-N 3.44Å; Q175-R178 PolarHBondContact O-N 2.75Å; E176-R178 VanDerWaalsContact C-N 3.35Å; E176-R178 PolarHBondContact O-N 3.43Å; R178-K182 WeakPolarHBondContact O-CA 3.49Å; R178-K182 PolarHBondContact O-N 2.99Å; R178-T183 WeakPolarHBondContact CA-O 3.43Å; R178-T183 WeakPolarHBondContact CG-O 3.39Å; R178-T183 PolarHBondContact O-N 3.2Å; R178-E184 IonicContact CZ-OE1 2.91Å; R178-E184 IonicContact CZ-OE2 3.59Å; R178-E184 IonicContact NE-OE1 3.73Å; R178-E184 IonicContact NE-OE2 2.77Å; R178-E184 PolarHBondContact NE-OE2 3.22Å; R178-E184 VanDerWaalsContact NH2-CD 3.26Å; R178-E184 IonicContact NH2-OE1 3.98Å; R178-E184 PolarHBondContact NH2-OE1 3.23Å; R178-E184 IonicContact NH2-OE2 2.73Å; R178-E184 PolarHBondContact NH2-OE2 2.86Å; R178-V186 HydrophobicContact CG-CG2 4.08Å; R178-H241 PolarHBondContact NE-CE1 3.21Å |
| 179 | R | 98.4 | Very high | 98.5 | Very high | 171 Ų | 171 | 39.9 Ų | 39.9 | 65% | 0.645 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -66.1 | -45.8 | 177.3 | -176 | -170.7 | 62.4 | 75.1 | 2.4 | 112 | Q175 E176 V177 | Q175-R179 WeakPolarHBondContact O-CB 3.3Å; Q175-R179 PolarHBondContact O-N 3.43Å; E176-R179 PolarHBondContact O-N 2.8Å; V177-R179 VanDerWaalsContact C-N 3.33Å; V177-R179 PolarHBondContact O-N 2.81Å |
| 180 | M | 98.3 | Very high | 98.5 | Very high | 65 Ų | 65 | 39.7 Ų | 39.7 | 32% | 0.32 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.9 | -47.9 | -175 | -175.8 | -176.1 | -50.9 | 0 | 0 | 112.1 | Y119 E176 V177 | Y119-M180 HydrophobicContact CD1-CE 4.09Å; Y119-M180 HydrophobicContact CD1-SD 4.47Å; Y119-M180 HydrophobicContact CD2-CE 3.81Å; Y119-M180 HydrophobicContact CD2-SD 3.94Å; Y119-M180 HydrophobicContact CE1-CE 3.79Å; Y119-M180 HydrophobicContact CE2-CE 3.49Å; Y119-M180 VanDerWaalsContact CE2-CE 3.49Å; Y119-M180 HydrophobicContact CE2-SD 4.24Å; Y119-M180 HydrophobicContact CG-CE 4.09Å; Y119-M180 HydrophobicContact CG-SD 4.06Å; Y119-M180 VanDerWaalsContact CZ-CE 3.46Å; E176-M180 HydrophobicContact CG-CE 3.96Å; E176-M180 VanDerWaalsContact O-CB 3.26Å; E176-M180 WeakPolarHBondContact O-CB 3.39Å; E176-M180 PolarHBondContact O-N 3Å; V177-M180 PolarHBondContact O-N 2.83Å |
| 181 | W | 98.4 | Very high | 98.5 | Very high | 42 Ų | 42 | 39.9 Ų | 39.9 | 16% | 0.159 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -100.5 | 1.4 | -176.8 | -71.1 | -26.5 | 0 | 0 | 0 | 114.3 | V138 R140 V152 V177 T183 | V138-W181 HydrophobicContact CB-CH2 4.25Å; V138-W181 HydrophobicContact CB-CZ3 4.4Å; V138-W181 HydrophobicContact CG1-CH2 3.8Å; V138-W181 HydrophobicContact CG1-CZ3 3.49Å; V138-W181 VanDerWaalsContact CG1-CZ3 3.49Å; R140-W181 HydrophobicContact CB-CE3 4.21Å; R140-W181 HydrophobicContact CB-CH2 4.18Å; R140-W181 HydrophobicContact CB-CZ3 3.96Å; V152-W181 HydrophobicContact CB-CE3 4.47Å; V152-W181 HydrophobicContact CB-CZ3 4.35Å; V152-W181 HydrophobicContact CG1-CE3 4.07Å; V152-W181 HydrophobicContact CG1-CZ3 3.6Å; V152-W181 HydrophobicContact CG2-CE3 3.54Å; V152-W181 HydrophobicContact CG2-CZ3 3.79Å; V177-W181 HydrophobicContact CG1-CE3 3.8Å; V177-W181 HydrophobicContact CG1-CZ3 4.08Å; V177-W181 PolarHBondContact O-N 2.77Å; W181-T183 VanDerWaalsContact C-N 3.25Å; W181-T183 HydrophobicContact CB-CG2 3.94Å; W181-T183 PolarHBondContact O-N 2.86Å |
| 182 | K | 98.3 | Very high | 98.5 | Very high | 195 Ų | 195 | 37.6 Ų | 37.6 | 85% | 0.848 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 46.2 | -179.6 | -56.7 | -178.8 | -177.3 | 178.9 | 0 | 111.6 | R178 | R178-K182 WeakPolarHBondContact O-CA 3.49Å; R178-K182 PolarHBondContact O-N 2.99Å |
| 183 | T | 97.9 | Very high | 98.4 | Very high | 12 Ų | 12 | 36.2 Ų | 36.2 | 7% | 0.074 | 16% | 0.157 | C | C | . | . | trans | -129.6 | 142.6 | -175.6 | -173.9 | 0 | 0 | 0 | 0 | 111 | V152 R178 W181 N185 V186 | V152-T183 HydrophobicContact CG2-CG2 3.77Å; R178-T183 WeakPolarHBondContact CA-O 3.43Å; R178-T183 WeakPolarHBondContact CG-O 3.39Å; R178-T183 PolarHBondContact O-N 3.2Å; W181-T183 VanDerWaalsContact C-N 3.25Å; W181-T183 HydrophobicContact CB-CG2 3.94Å; W181-T183 PolarHBondContact O-N 2.86Å; T183-N185 PolarHBondContact OG1-N 3.41Å; T183-V186 HydrophobicContact CG2-CG2 4.4Å | ||
| 184 | E | 97.9 | Very high | 97.9 | Very high | 92 Ų | 92 | 36.2 Ų | 36.2 | 43% | 0.43 | 16% | 0.157 | S | C | . | . | trans | -101.4 | -10.2 | 172.8 | -60 | -60.5 | 167.9 | 0 | 0 | 112.2 | R178 V186 H241 | R178-E184 IonicContact CZ-OE1 2.91Å; R178-E184 IonicContact CZ-OE2 3.59Å; R178-E184 IonicContact NE-OE1 3.73Å; R178-E184 IonicContact NE-OE2 2.77Å; R178-E184 PolarHBondContact NE-OE2 3.22Å; R178-E184 VanDerWaalsContact NH2-CD 3.26Å; R178-E184 IonicContact NH2-OE1 3.98Å; R178-E184 PolarHBondContact NH2-OE1 3.23Å; R178-E184 IonicContact NH2-OE2 2.73Å; R178-E184 PolarHBondContact NH2-OE2 2.86Å; E184-V186 VanDerWaalsContact C-N 3.31Å; E184-V186 PolarHBondContact O-N 3.42Å; E184-H241 PolarHBondContact O-ND1 2.93Å; E184-H241 VanDerWaalsContact O-ND1 3.07Å; E184-H241 IonicContact OE2-CE1 3.66Å; E184-H241 PolarHBondContact OE2-CE1 2.72Å; E184-H241 IonicContact OE2-ND1 3.73Å; E184-H241 PolarHBondContact OE2-ND1 2.84Å; E184-H241 IonicContact OE2-NE2 3.43Å | ||
| 185 | N | 98.6 | Very high | 97.5 | Very high | 13 Ų | 13 | 38.2 Ų | 38.2 | 7% | 0.07 | 17% | 0.168 | C | C | . | . | trans | -84 | 71.7 | -175.5 | -64.8 | -13.9 | 0 | 0 | 0 | 110.1 | I148 E150 F151 V152 T183 K244 F245 | I148-N185 HydrophobicContact CD1-CB 3.72Å; I148-N185 HydrophobicContact CG1-CB 4.05Å; I148-N185 VanDerWaalsContact CG1-ND2 3.34Å; I148-N185 WeakPolarHBondContact CG1-ND2 3.48Å; E150-N185 WeakPolarHBondContact O-CB 3.31Å; E150-N185 PolarHBondContact O-ND2 2.93Å; F151-N185 CarbonylContact C-O 3.42Å; F151-N185 WeakPolarHBondContact CA-O 3.45Å; F151-N185 HydrophobicContact CB-CB 4.35Å; V152-N185 PolarHBondContact N-O 3.24Å; T183-N185 PolarHBondContact OG1-N 3.41Å; N185-K244 WeakPolarHBondContact OD1-CD 3.41Å; N185-F245 VanDerWaalsContact C-CD2 3.48Å; N185-F245 HydrophobicContact CB-CD2 4.23Å | ||
| 186 | V | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 135.2 | -179.2 | -172.6 | 0 | 0 | 0 | 0 | 111 | V152 I154 L174 V177 R178 T183 E184 H241 F245 | V152-V186 HydrophobicContact CB-CG1 4.42Å; V152-V186 HydrophobicContact CB-CG2 4.26Å; V152-V186 HydrophobicContact CG1-CG1 4.39Å; I154-V186 HydrophobicContact CD1-CG1 3.49Å; I154-V186 VanDerWaalsContact CD1-CG1 3.49Å; I154-V186 HydrophobicContact CG1-CG1 3.87Å; L174-V186 HydrophobicContact CD1-CB 3.7Å; L174-V186 HydrophobicContact CD1-CG1 3.62Å; L174-V186 HydrophobicContact CD1-CG2 3.97Å; V177-V186 HydrophobicContact CG1-CG2 4.35Å; R178-V186 HydrophobicContact CG-CG2 4.08Å; T183-V186 HydrophobicContact CG2-CG2 4.4Å; E184-V186 VanDerWaalsContact C-N 3.31Å; E184-V186 PolarHBondContact O-N 3.42Å; V186-H241 HydrophobicContact CB-CB 4.21Å; V186-H241 PolarHBondContact O-N 3.39Å; V186-F245 WeakPolarHBondContact O-CD2 3.41Å |
| 187 | M | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 132.8 | 168.6 | 174.9 | -174.9 | -71.5 | 0 | 0 | 108.8 | I25 V152 L153 I154 L189 I238 V239 V240 F245 V281 L283 | I25-M187 HydrophobicContact CD1-CE 4.07Å; I25-M187 HydrophobicContact CD1-SD 4.14Å; I25-M187 HydrophobicContact CG2-SD 4.02Å; V152-M187 PolarHBondContact O-N 3.45Å; L153-M187 CarbonylContact C-O 3.58Å; L153-M187 WeakPolarHBondContact CA-O 3.25Å; L153-M187 HydrophobicContact CD2-CB 3.75Å; L153-M187 HydrophobicContact CD2-CG 4.08Å; L153-M187 HydrophobicContact CD2-SD 3.8Å; I154-M187 PolarHBondContact N-O 3.18Å; M187-L189 HydrophobicContact SD-CD1 4.19Å; M187-I238 HydrophobicContact CE-CG2 4.01Å; M187-I238 HydrophobicContact CG-CG2 3.9Å; M187-I238 HydrophobicContact SD-CG2 3.76Å; M187-V239 CarbonylContact C-O 3.59Å; M187-V239 VanDerWaalsContact CA-O 3.26Å; M187-V239 WeakPolarHBondContact CA-O 3.21Å; M187-V240 HydrophobicContact CB-CG1 4.09Å; M187-V240 HydrophobicContact CE-CG1 3.64Å; M187-V240 HydrophobicContact CG-CG1 4.03Å; M187-F245 HydrophobicContact CB-CE2 3.85Å; M187-F245 HydrophobicContact CB-CZ 3.81Å; M187-F245 HydrophobicContact CE-CE1 3.66Å; M187-F245 HydrophobicContact CE-CZ 3.79Å; M187-V281 HydrophobicContact CE-CG1 3.73Å; M187-V281 HydrophobicContact SD-CG1 4.31Å; M187-L283 HydrophobicContact CE-CD2 4.49Å |
| 188 | L | 98.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 134.7 | 171.6 | -49.2 | 94.9 | 0 | 0 | 0 | 108.3 | I154 L170 L174 F192 L209 L215 V239 | I154-L188 HydrophobicContact CB-CB 4.49Å; I154-L188 HydrophobicContact CB-CD2 4.24Å; I154-L188 HydrophobicContact CB-CG 4.11Å; I154-L188 HydrophobicContact CD1-CD2 4.15Å; I154-L188 HydrophobicContact CD1-CG 4.29Å; I154-L188 HydrophobicContact CG2-CD2 4.23Å; I154-L188 VanDerWaalsContact O-CA 3.31Å; I154-L188 WeakPolarHBondContact O-CA 3.44Å; L170-L188 HydrophobicContact CD1-CD2 4.48Å; L170-L188 HydrophobicContact CD2-CB 4.41Å; L170-L188 HydrophobicContact CD2-CD2 3.61Å; L170-L188 HydrophobicContact CG-CD2 3.6Å; L174-L188 HydrophobicContact CB-CD2 4.48Å; L188-F192 HydrophobicContact CB-CZ 3.98Å; L188-L209 HydrophobicContact CD1-CD1 4.36Å; L188-L209 HydrophobicContact CD2-CD1 3.84Å; L188-L215 HydrophobicContact CD1-CD2 4.14Å; L188-V239 HydrophobicContact CB-CB 4.42Å; L188-V239 HydrophobicContact CD1-CB 4.34Å; L188-V239 HydrophobicContact CD1-CG1 4.44Å; L188-V239 PolarHBondContact N-O 3.04Å; L188-V239 PolarHBondContact O-N 3.29Å |
| 189 | L | 98.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 153.5 | -172.4 | 73.1 | 178.4 | 0 | 0 | 0 | 113.6 | I25 A27 L58 L153 I154 P155 Q156 M187 R237 I238 | I25-L189 HydrophobicContact CG2-CD1 3.77Å; A27-L189 HydrophobicContact CB-CB 4.19Å; A27-L189 HydrophobicContact CB-CD1 3.99Å; A27-L189 HydrophobicContact CB-CG 3.97Å; L58-L189 HydrophobicContact CD2-CD2 4.26Å; L58-L189 HydrophobicContact CD2-CG 3.92Å; L153-L189 HydrophobicContact CB-CD2 3.98Å; L153-L189 HydrophobicContact CD1-CD1 4.5Å; L153-L189 HydrophobicContact CD2-CD2 4.36Å; I154-L189 PolarHBondContact O-N 3.44Å; I154-L189 VanDerWaalsContact O-N 3.08Å; P155-L189 CarbonylContact C-O 3.5Å; P155-L189 VanDerWaalsContact CA-O 3.3Å; P155-L189 WeakPolarHBondContact CA-O 3.25Å; Q156-L189 PolarHBondContact N-O 2.99Å; M187-L189 HydrophobicContact SD-CD1 4.19Å; L189-R237 VanDerWaalsContact CA-O 3.24Å; L189-R237 WeakPolarHBondContact CA-O 3.3Å; L189-I238 HydrophobicContact CB-CG1 4.32Å |
| 190 | G | 98.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.6 | -172.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q60 Q156 F192 D236 R237 | Q60-G190 VanDerWaalsContact OE1-CA 3.27Å; Q156-G190 CarbonylContact O-C 3.58Å; Q156-G190 WeakPolarHBondContact O-CA 3.21Å; G190-F192 WeakPolarHBondContact O-CD1 3.32Å; G190-F192 PolarHBondContact O-N 3.33Å; G190-F192 VanDerWaalsContact O-N 3.07Å; G190-D236 WeakPolarHBondContact O-CA 3.33Å; G190-R237 PolarHBondContact N-O 3.32Å; G190-R237 VanDerWaalsContact N-O 3.08Å; G190-R237 PolarHBondContact O-N 3.08Å |
| 191 | D | 98.8 | Very high | 94.1 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 94.4 | 172.4 | 179.9 | 8.8 | 0 | 0 | 0 | 111.4 | N29 Q156 H157 T158 N193 H276 | N29-D191 HydrophobicContact CB-CB 4.31Å; N29-D191 PolarHBondContact ND2-OD2 3.47Å; Q156-D191 PolarHBondContact O-N 2.87Å; H157-D191 CarbonylContact C-O 3.57Å; H157-D191 VanDerWaalsContact CA-O 3.27Å; H157-D191 WeakPolarHBondContact CA-O 3.41Å; H157-D191 IonicContact CD2-OD2 3.09Å; H157-D191 PolarHBondContact CD2-OD2 2.91Å; H157-D191 IonicContact NE2-OD2 3.28Å; T158-D191 PolarHBondContact N-O 3.47Å; D191-N193 VanDerWaalsContact C-N 3.31Å; D191-N193 PolarHBondContact OD1-N 3.01Å; D191-N193 PolarHBondContact OD1-ND2 2.9Å; D191-N193 PolarHBondContact OD2-ND2 3.48Å; D191-H276 IonicContact OD1-CE1 3.76Å; D191-H276 IonicContact OD2-CE1 2.86Å; D191-H276 PolarHBondContact OD2-CE1 3.4Å; D191-H276 VanDerWaalsContact OD2-CE1 3.3Å; D191-H276 IonicContact OD2-NE2 3.55Å |
| 192 | F | 98.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -87.3 | -3 | -179.2 | -76.6 | 13.5 | 0 | 0 | 0 | 112.6 | Q156 T158 L167 L170 L188 G190 A194 L209 W217 Y235 R237 V239 | Q156-F192 HydrophobicContact CB-CD1 4.15Å; Q156-F192 HydrophobicContact CB-CE1 3.76Å; T158-F192 PolarHBondContact OG1-O 2.94Å; L167-F192 HydrophobicContact CD2-CB 3.81Å; L167-F192 HydrophobicContact CD2-CD1 4.44Å; L167-F192 HydrophobicContact CD2-CD2 3.51Å; L167-F192 HydrophobicContact CD2-CE2 4.18Å; L167-F192 HydrophobicContact CD2-CG 3.67Å; L170-F192 HydrophobicContact CD2-CE1 4.32Å; L170-F192 HydrophobicContact CD2-CE2 4.4Å; L170-F192 HydrophobicContact CD2-CZ 3.93Å; L188-F192 HydrophobicContact CB-CZ 3.98Å; G190-F192 WeakPolarHBondContact O-CD1 3.32Å; G190-F192 PolarHBondContact O-N 3.33Å; G190-F192 VanDerWaalsContact O-N 3.07Å; F192-A194 HydrophobicContact CB-CB 3.75Å; F192-A194 PolarHBondContact O-N 3.29Å; F192-L209 HydrophobicContact CE2-CD2 4.13Å; F192-W217 AromaticContact CD2-CH2 3.96Å; F192-W217 HydrophobicContact CD2-CH2 3.96Å; F192-W217 HydrophobicContact CD2-CZ3 4.26Å; F192-W217 HydrophobicContact CE2-CH2 4.43Å; F192-Y235 PolarHBondContact N-O 3.17Å; F192-R237 HydrophobicContact CB-CB 4.29Å; F192-R237 HydrophobicContact CB-CG 4.04Å; F192-R237 HydrophobicContact CD2-CB 3.57Å; F192-R237 HydrophobicContact CD2-CG 3.99Å; F192-R237 HydrophobicContact CE2-CB 3.99Å; F192-R237 HydrophobicContact CG-CB 3.95Å; F192-R237 HydrophobicContact CG-CG 4.24Å; F192-V239 HydrophobicContact CE2-CG2 4.01Å | ||
| 193 | N | 96.2 | Very high | 93.2 | Very high | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.032 | 21% | 0.209 | C | C | . | . | trans | 46.2 | 33.9 | -169.9 | -72.6 | -95.9 | 0 | 0 | 0 | 112.1 | T158 A163 D191 D195 Y198 Y235 | T158-N193 PolarHBondContact O-ND2 2.92Å; T158-N193 VanDerWaalsContact O-ND2 3.1Å; T158-N193 WeakPolarHBondContact OG1-CB 3.47Å; T158-N193 PolarHBondContact OG1-ND2 3.08Å; A163-N193 HydrophobicContact CB-CB 4.06Å; D191-N193 VanDerWaalsContact C-N 3.31Å; D191-N193 PolarHBondContact OD1-N 3.01Å; D191-N193 PolarHBondContact OD1-ND2 2.9Å; D191-N193 PolarHBondContact OD2-ND2 3.48Å; N193-D195 PolarHBondContact O-N 3.49Å; N193-Y198 HydrophobicContact CB-CD2 3.79Å; N193-Y198 HydrophobicContact CB-CG 4.39Å; N193-Y198 WeakPolarHBondContact O-CB 3.48Å; N193-Y198 VanDerWaalsContact OD1-CD2 3.24Å; N193-Y198 WeakPolarHBondContact OD1-CD2 3.18Å; N193-Y198 WeakPolarHBondContact OD1-CE2 3.47Å; N193-Y235 PolarHBondContact N-O 3.38Å | ||
| 194 | A | 87.4 | Confident | 92.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -85.4 | 31.5 | -162.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L167 F192 L199 W217 R237 | L167-A194 HydrophobicContact CD1-CB 4.17Å; F192-A194 HydrophobicContact CB-CB 3.75Å; F192-A194 PolarHBondContact O-N 3.29Å; A194-L199 HydrophobicContact CB-CD2 4.19Å; A194-W217 HydrophobicContact CB-CH2 4.37Å; A194-W217 HydrophobicContact CB-CZ3 4.08Å; A194-R237 HydrophobicContact CB-CG 3.94Å; A194-R237 PolarHBondContact O-NH2 2.91Å; A194-R237 VanDerWaalsContact O-NH2 3.08Å | ||
| 195 | D | 89.8 | Confident | 92.7 | Very high | 41 Ų | 41 | 40.8 Ų | 40.8 | 22% | 0.219 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -158.5 | -175.5 | -177.7 | -160.8 | 10.8 | 0 | 0 | 0 | 112.4 | N193 G197 Y198 S234 Y235 | N193-D195 PolarHBondContact O-N 3.49Å; D195-G197 PolarHBondContact O-N 3.19Å; D195-Y198 PolarHBondContact O-N 2.8Å; D195-S234 PolarHBondContact OD2-N 3.29Å; D195-Y235 HydrophobicContact CB-CD1 4.33Å |
| 196 | C | 89.5 | Confident | 92.4 | Very high | 52 Ų | 52 | 46.9 Ų | 46.9 | 35% | 0.351 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | -134.2 | 175 | -70.8 | 0 | 0 | 0 | 0 | 111.5 | Y198 C233 Y235 | C196-Y198 VanDerWaalsContact C-N 3.25Å; C196-Y198 PolarHBondContact O-N 2.96Å; C196-C233 HydrophobicContact CB-CB 4.09Å; C196-C233 WeakPolarHBondContact CB-SG 3.21Å; C196-C233 VanDerWaalsContact SG-CA 3.59Å; C196-C233 WeakPolarHBondContact SG-CB 3.39Å; C196-C233 CovalentContact SG-SG 2.04Å; C196-C233 PolarHBondContact SG-SG 3.04Å; C196-Y235 HydrophobicContact CB-CE1 3.95Å |
| 197 | G | 84.1 | Confident | 92.3 | Very high | 72 Ų | 72 | 46.9 Ų | 46.9 | 74% | 0.742 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -14 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D195 | D195-G197 PolarHBondContact O-N 3.19Š|
| 198 | Y | 87.6 | Confident | 92.2 | Very high | 97 Ų | 97 | 50.8 Ų | 50.8 | 38% | 0.38 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -33.2 | -168.2 | -55.9 | -29.1 | 0 | 0 | 0 | 112.9 | P160 N193 D195 C196 Y235 | P160-Y198 HydrophobicContact CB-CD1 3.72Å; P160-Y198 HydrophobicContact CB-CD2 3.94Å; P160-Y198 HydrophobicContact CB-CE1 3.7Å; P160-Y198 HydrophobicContact CB-CE2 3.88Å; P160-Y198 HydrophobicContact CB-CG 3.85Å; P160-Y198 HydrophobicContact CG-CE2 4.2Å; N193-Y198 HydrophobicContact CB-CD2 3.79Å; N193-Y198 HydrophobicContact CB-CG 4.39Å; N193-Y198 WeakPolarHBondContact O-CB 3.48Å; N193-Y198 VanDerWaalsContact OD1-CD2 3.24Å; N193-Y198 WeakPolarHBondContact OD1-CD2 3.18Å; N193-Y198 WeakPolarHBondContact OD1-CE2 3.47Å; D195-Y198 PolarHBondContact O-N 2.8Å; C196-Y198 VanDerWaalsContact C-N 3.25Å; C196-Y198 PolarHBondContact O-N 2.96Å; Y198-Y235 HydrophobicContact CD2-CD1 4.17Å; Y198-Y235 AromaticContact CD2-CE1 3.43Å; Y198-Y235 HydrophobicContact CD2-CE1 3.43Å; Y198-Y235 VanDerWaalsContact CD2-CE1 3.43Å; Y198-Y235 AromaticContact CD2-CZ 3.7Å; Y198-Y235 AromaticContact CE2-CE1 3.77Å; Y198-Y235 HydrophobicContact CE2-CE1 3.77Å; Y198-Y235 HydrophobicContact CE2-CE2 4.16Å; Y198-Y235 AromaticContact CE2-CZ 3.5Å; Y198-Y235 WeakPolarHBondContact CE2-OH 3.09Å; Y198-Y235 HydrophobicContact CG-CE1 4.41Å |
| 199 | L | 87.3 | Confident | 92.2 | Very high | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -120.3 | 88.2 | 173.4 | -176.1 | 60.7 | 0 | 0 | 0 | 110.9 | T164 L167 A194 K201 N203 R204 V207 I210 | T164-L199 HydrophobicContact CG2-CD1 4.49Å; T164-L199 WeakPolarHBondContact OG1-CD1 3.15Å; L167-L199 HydrophobicContact CD1-CD2 4.03Å; A194-L199 HydrophobicContact CB-CD2 4.19Å; L199-K201 PolarHBondContact O-N 3.01Å; L199-N203 HydrophobicContact CD1-CB 4.4Å; L199-R204 HydrophobicContact CD1-CG 4.48Å; L199-R204 HydrophobicContact CD2-CG 4.21Å; L199-R204 HydrophobicContact CG-CG 4.05Å; L199-V207 HydrophobicContact CD1-CG2 4.46Å; L199-I210 HydrophobicContact CD2-CD1 3.69Å |
| 200 | A | 84.9 | Confident | 92 | Very high | 37 Ų | 37 | 52.4 Ų | 52.4 | 31% | 0.306 | 27% | 0.267 | S | S | . | . | trans | -58.4 | 137.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K202 N203 | A200-K202 HydrophobicContact CB-CG 4.11Å; A200-K202 PolarHBondContact O-N 3.12Å; A200-N203 WeakPolarHBondContact O-CB 3.42Å; A200-N203 PolarHBondContact O-N 2.9Å | ||
| 201 | K | 86.2 | Confident | 92 | Very high | 190 Ų | 190 | 55.9 Ų | 55.9 | 83% | 0.826 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -49.5 | -39.2 | -179.7 | -70 | -176.8 | 177 | -178.7 | 0 | 113.7 | L199 N203 R204 | L199-K201 PolarHBondContact O-N 3.01Å; K201-N203 PolarHBondContact O-N 2.88Å; K201-R204 PolarHBondContact O-N 3.14Å |
| 202 | K | 88.6 | Confident | 91.9 | Very high | 160 Ų | 160 | 57.3 Ų | 57.3 | 70% | 0.696 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -69.5 | -7.2 | 178.5 | 68.8 | 173.3 | -176.7 | -179 | 0 | 115.9 | A200 | A200-K202 HydrophobicContact CB-CG 4.11Å; A200-K202 PolarHBondContact O-N 3.12Å |
| 203 | N | 89.4 | Confident | 91.9 | Very high | 40 Ų | 40 | 68.2 Ų | 68.2 | 21% | 0.214 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -102.6 | -17.2 | 177.5 | -71.1 | -3.3 | 0 | 0 | 0 | 111.4 | T164 L199 A200 K201 D205 K206 | T164-N203 HydrophobicContact CG2-CB 3.82Å; T164-N203 PolarHBondContact OG1-ND2 3.08Å; L199-N203 HydrophobicContact CD1-CB 4.4Å; A200-N203 WeakPolarHBondContact O-CB 3.42Å; A200-N203 PolarHBondContact O-N 2.9Å; K201-N203 PolarHBondContact O-N 2.88Å; N203-D205 VanDerWaalsContact C-N 3.29Å; N203-D205 PolarHBondContact O-N 3.36Å; N203-K206 WeakPolarHBondContact O-CB 3.31Å; N203-K206 PolarHBondContact O-N 3.06Å |
| 204 | R | 91.6 | Very high | 92 | Very high | 32 Ų | 32 | 72 Ų | 72 | 12% | 0.121 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -63.3 | -35.8 | -173.1 | -65.4 | -180 | 69.3 | 72.9 | 6.6 | 112.5 | L199 K201 K206 V207 I210 E221 | L199-R204 HydrophobicContact CD1-CG 4.48Å; L199-R204 HydrophobicContact CD2-CG 4.21Å; L199-R204 HydrophobicContact CG-CG 4.05Å; K201-R204 PolarHBondContact O-N 3.14Å; R204-K206 PolarHBondContact O-N 3.25Å; R204-V207 PolarHBondContact O-N 3.1Å; R204-I210 HydrophobicContact CB-CD1 4.25Å; R204-I210 HydrophobicContact CB-CG2 4.41Å; R204-I210 HydrophobicContact CG-CD1 4.29Å; R204-E221 IonicContact CZ-OE1 3.53Å; R204-E221 VanDerWaalsContact CZ-OE1 3.23Å; R204-E221 IonicContact NE-OE1 3.44Å; R204-E221 PolarHBondContact NE-OE1 3.45Å; R204-E221 IonicContact NH2-OE1 3.84Å; R204-E221 PolarHBondContact NH2-OE1 3.33Å |
| 205 | D | 93.2 | Very high | 92.5 | Very high | 109 Ų | 109 | 72.6 Ų | 72.6 | 58% | 0.583 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -66.6 | -11.4 | 174.6 | 59.7 | -28.9 | 0 | 0 | 0 | 113.8 | N203 | N203-D205 VanDerWaalsContact C-N 3.29Å; N203-D205 PolarHBondContact O-N 3.36Å |
| 206 | K | 92.3 | Very high | 92.9 | Very high | 140 Ų | 140 | 72.3 Ų | 72.3 | 61% | 0.609 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -101.2 | -5 | 176.8 | -55.5 | 178.1 | -175.2 | 175.5 | 0 | 113.4 | N203 R204 | N203-K206 WeakPolarHBondContact O-CB 3.31Å; N203-K206 PolarHBondContact O-N 3.06Å; R204-K206 PolarHBondContact O-N 3.25Å |
| 207 | V | 97 | Very high | 93.3 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 35% | 0.351 | C | S | . | . | trans | -98 | 112.2 | -178.1 | 177.8 | 0 | 0 | 0 | 0 | 108.7 | T164 L167 D168 L199 R204 L209 I210 T211 | T164-V207 HydrophobicContact CG2-CG2 3.92Å; L167-V207 HydrophobicContact CB-CG1 3.82Å; D168-V207 HydrophobicContact CB-CG1 4.43Å; L199-V207 HydrophobicContact CD1-CG2 4.46Å; R204-V207 PolarHBondContact O-N 3.1Å; V207-L209 HydrophobicContact CG1-CB 4.01Å; V207-L209 PolarHBondContact O-N 2.95Å; V207-I210 HydrophobicContact CB-CB 4.22Å; V207-I210 HydrophobicContact CB-CD1 3.9Å; V207-I210 HydrophobicContact CB-CG1 4.08Å; V207-I210 HydrophobicContact CG1-CB 4.31Å; V207-I210 HydrophobicContact CG1-CD1 3.94Å; V207-I210 HydrophobicContact CG1-CG1 3.83Å; V207-I210 HydrophobicContact CG2-CD1 4.33Å; V207-I210 PolarHBondContact O-N 3.01Å; V207-T211 PolarHBondContact O-N 3.3Å; V207-T211 PolarHBondContact O-OG1 2.86Å | ||
| 208 | R | 98.2 | Very high | 94 | Very high | 83 Ų | 83 | 70.5 Ų | 70.5 | 31% | 0.313 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.2 | -36.7 | -179.8 | -72.1 | 172.9 | -75.3 | 159.7 | 0 | 112.3 | D168 Y171 D172 I210 T211 D212 | D168-R208 WeakPolarHBondContact OD1-CB 3.33Å; D168-R208 WeakPolarHBondContact OD1-CG 2.83Å; D168-R208 IonicContact OD1-CZ 3.14Å; D168-R208 PolarHBondContact OD1-N 2.73Å; D168-R208 IonicContact OD1-NE 3.39Å; D168-R208 PolarHBondContact OD1-NE 2.83Å; D168-R208 IonicContact OD1-NH2 3.34Å; D168-R208 IonicContact OD2-CZ 3.63Å; D168-R208 IonicContact OD2-NE 3.23Å; D168-R208 PolarHBondContact OD2-NE 3.23Å; D168-R208 IonicContact OD2-NH2 3.23Å; D168-R208 PolarHBondContact OD2-NH2 3.25Å; Y171-R208 HydrophobicContact CD1-CB 4.07Å; Y171-R208 HydrophobicContact CD2-CB 3.73Å; Y171-R208 HydrophobicContact CE2-CB 4.31Å; Y171-R208 HydrophobicContact CG-CB 3.59Å; D172-R208 IonicContact OD1-CZ 2.81Å; D172-R208 IonicContact OD1-NH1 2.62Å; D172-R208 PolarHBondContact OD1-NH1 3.04Å; D172-R208 IonicContact OD1-NH2 3.24Å; D172-R208 IonicContact OD2-CZ 3.77Å; D172-R208 IonicContact OD2-NH1 3.16Å; D172-R208 PolarHBondContact OD2-NH1 3.32Å; D172-R208 IonicContact OD2-NH2 2.93Å; D172-R208 PolarHBondContact OD2-NH2 3.45Å; R208-I210 PolarHBondContact O-N 2.89Å; R208-T211 WeakPolarHBondContact CA-OG1 3.36Å; R208-T211 PolarHBondContact O-N 3.25Å; R208-D212 WeakPolarHBondContact O-CB 3.31Å; R208-D212 PolarHBondContact O-N 3.4Å |
| 209 | L | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.9 | -25.4 | 176.1 | -160.3 | 78.1 | 0 | 0 | 0 | 113.7 | L167 L170 L188 F192 V207 L215 W217 | L167-L209 HydrophobicContact CD2-CD2 4.13Å; L167-L209 WeakPolarHBondContact O-CB 3.44Å; L170-L209 HydrophobicContact CB-CD2 4.32Å; L170-L209 HydrophobicContact CD2-CD2 3.91Å; L188-L209 HydrophobicContact CD1-CD1 4.36Å; L188-L209 HydrophobicContact CD2-CD1 3.84Å; F192-L209 HydrophobicContact CE2-CD2 4.13Å; V207-L209 HydrophobicContact CG1-CB 4.01Å; V207-L209 PolarHBondContact O-N 2.95Å; L209-L215 HydrophobicContact CB-CD1 4.4Å; L209-L215 HydrophobicContact CD1-CD1 3.61Å; L209-L215 HydrophobicContact CG-CD1 4.04Å; L209-L215 VanDerWaalsContact O-CD1 3.29Å; L209-L215 WeakPolarHBondContact O-CD1 3.44Å; L209-W217 HydrophobicContact CD2-CZ2 4.02Å; L209-W217 HydrophobicContact CG-CZ2 4.21Å; L209-W217 PolarHBondContact O-NE1 2.63Å |
| 210 | I | 96.3 | Very high | 94.8 | Very high | 34 Ų | 34 | 67.4 Ų | 67.4 | 17% | 0.174 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -92.9 | -36.8 | 178.4 | -64.9 | 174.7 | 0 | 0 | 0 | 111.1 | L199 R204 V207 R208 W217 | L199-I210 HydrophobicContact CD2-CD1 3.69Å; R204-I210 HydrophobicContact CB-CD1 4.25Å; R204-I210 HydrophobicContact CB-CG2 4.41Å; R204-I210 HydrophobicContact CG-CD1 4.29Å; V207-I210 HydrophobicContact CB-CB 4.22Å; V207-I210 HydrophobicContact CB-CD1 3.9Å; V207-I210 HydrophobicContact CB-CG1 4.08Å; V207-I210 HydrophobicContact CG1-CB 4.31Å; V207-I210 HydrophobicContact CG1-CD1 3.94Å; V207-I210 HydrophobicContact CG1-CG1 3.83Å; V207-I210 HydrophobicContact CG2-CD1 4.33Å; V207-I210 PolarHBondContact O-N 3.01Å; R208-I210 PolarHBondContact O-N 2.89Å; I210-W217 HydrophobicContact CD1-CH2 4.46Å; I210-W217 HydrophobicContact CD1-CZ2 4.42Å; I210-W217 HydrophobicContact CG1-CH2 3.97Å; I210-W217 HydrophobicContact CG1-CZ2 3.48Å; I210-W217 VanDerWaalsContact CG1-CZ2 3.48Å |
| 211 | T | 97.4 | Very high | 95.1 | Very high | 73 Ų | 73 | 70.5 Ų | 70.5 | 45% | 0.448 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -88.9 | -21.6 | -170.8 | 51.2 | 0 | 0 | 0 | 0 | 114.2 | V207 R208 R213 | V207-T211 PolarHBondContact O-N 3.3Å; V207-T211 PolarHBondContact O-OG1 2.86Å; R208-T211 WeakPolarHBondContact CA-OG1 3.36Å; R208-T211 PolarHBondContact O-N 3.25Å; T211-R213 PolarHBondContact O-N 3.45Å |
| 212 | D | 98 | Very high | 95.3 | Very high | 33 Ų | 33 | 69.1 Ų | 69.1 | 18% | 0.176 | 33% | 0.332 | C | S | . | . | trans | -68.8 | 122.9 | 174.5 | -170.8 | -20.7 | 0 | 0 | 0 | 111.1 | Y171 R208 N214 L215 | Y171-D212 HydrophobicContact CE2-CB 4.1Å; Y171-D212 WeakPolarHBondContact CE2-OD2 3.38Å; Y171-D212 PolarHBondContact OH-OD2 2.81Å; R208-D212 WeakPolarHBondContact O-CB 3.31Å; R208-D212 PolarHBondContact O-N 3.4Å; D212-N214 PolarHBondContact O-N 3.45Å; D212-N214 WeakPolarHBondContact OD1-CB 3.42Å; D212-N214 PolarHBondContact OD1-N 2.77Å; D212-N214 PolarHBondContact OD1-ND2 3.29Å; D212-N214 VanDerWaalsContact OD1-ND2 3.14Å; D212-L215 HydrophobicContact CB-CD1 4.09Å; D212-L215 HydrophobicContact CB-CG 4.41Å; D212-L215 PolarHBondContact O-N 3.33Å; D212-L215 VanDerWaalsContact O-N 3.14Å | ||
| 213 | R | 97.3 | Very high | 95.7 | Very high | 229 Ų | 229 | 63.6 Ų | 63.6 | 86% | 0.864 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -14.6 | -178.2 | -62.1 | -175.9 | 179.9 | -173.5 | -0.2 | 114 | T211 | T211-R213 PolarHBondContact O-N 3.45Š|
| 214 | N | 97.8 | Very high | 96.1 | Very high | 86 Ų | 86 | 64.1 Ų | 64.1 | 46% | 0.46 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -3.9 | 173.6 | -61.4 | -60.4 | 0 | 0 | 0 | 112.5 | D212 G242 | D212-N214 PolarHBondContact O-N 3.45Å; D212-N214 WeakPolarHBondContact OD1-CB 3.42Å; D212-N214 PolarHBondContact OD1-N 2.77Å; D212-N214 PolarHBondContact OD1-ND2 3.29Å; D212-N214 VanDerWaalsContact OD1-ND2 3.14Å; N214-G242 PolarHBondContact O-N 2.88Å |
| 215 | L | 98.5 | Very high | 96.5 | Very high | 11 Ų | 11 | 62.6 Ų | 62.6 | 6% | 0.058 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 116.4 | 176.6 | -69.9 | 170.9 | 0 | 0 | 0 | 110.5 | Y171 L174 L188 L209 D212 V239 H241 | Y171-L215 HydrophobicContact CD2-CD1 4.36Å; L174-L215 HydrophobicContact CD2-CD1 4.24Å; L174-L215 HydrophobicContact CD2-CD2 3.73Å; L174-L215 HydrophobicContact CD2-CG 4.41Å; L188-L215 HydrophobicContact CD1-CD2 4.14Å; L209-L215 HydrophobicContact CB-CD1 4.4Å; L209-L215 HydrophobicContact CD1-CD1 3.61Å; L209-L215 HydrophobicContact CG-CD1 4.04Å; L209-L215 VanDerWaalsContact O-CD1 3.29Å; L209-L215 WeakPolarHBondContact O-CD1 3.44Å; D212-L215 HydrophobicContact CB-CD1 4.09Å; D212-L215 HydrophobicContact CB-CG 4.41Å; D212-L215 PolarHBondContact O-N 3.33Å; D212-L215 VanDerWaalsContact O-N 3.14Å; L215-V239 HydrophobicContact CB-CG1 3.9Å; L215-V239 HydrophobicContact CD2-CG1 3.96Å; L215-V239 HydrophobicContact CG-CG1 4.46Å; L215-H241 HydrophobicContact CD2-CB 4.03Å |
| 216 | H | 98.4 | Very high | 96.7 | Very high | 35 Ų | 35 | 57.7 Ų | 57.7 | 16% | 0.162 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 107 | -179.6 | -52.9 | -86.5 | 0 | 0 | 0 | 109.1 | L218 V239 V240 E243 N246 | H216-L218 HydrophobicContact CB-CD2 4.22Å; H216-L218 PolarHBondContact O-N 2.8Å; H216-V239 WeakPolarHBondContact O-CA 3.35Å; H216-V240 HydrophobicContact CB-CG2 3.85Å; H216-V240 PolarHBondContact N-O 2.94Å; H216-V240 PolarHBondContact O-N 3.18Å; H216-E243 IonicContact CE1-OE1 2.77Å; H216-E243 PolarHBondContact CE1-OE1 2.83Å; H216-E243 IonicContact NE2-OE1 3.78Å; H216-N246 PolarHBondContact ND1-ND2 2.97Å |
| 217 | W | 98.2 | Very high | 97 | Very high | 54 Ų | 54 | 51 Ų | 51 | 21% | 0.205 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 110.8 | 174.3 | -73.4 | 65.7 | 0 | 0 | 0 | 109.3 | F192 A194 L209 I210 R237 V239 | F192-W217 AromaticContact CD2-CH2 3.96Å; F192-W217 HydrophobicContact CD2-CH2 3.96Å; F192-W217 HydrophobicContact CD2-CZ3 4.26Å; F192-W217 HydrophobicContact CE2-CH2 4.43Å; A194-W217 HydrophobicContact CB-CH2 4.37Å; A194-W217 HydrophobicContact CB-CZ3 4.08Å; L209-W217 HydrophobicContact CD2-CZ2 4.02Å; L209-W217 HydrophobicContact CG-CZ2 4.21Å; L209-W217 PolarHBondContact O-NE1 2.63Å; I210-W217 HydrophobicContact CD1-CH2 4.46Å; I210-W217 HydrophobicContact CD1-CZ2 4.42Å; I210-W217 HydrophobicContact CG1-CH2 3.97Å; I210-W217 HydrophobicContact CG1-CZ2 3.48Å; I210-W217 VanDerWaalsContact CG1-CZ2 3.48Å; W217-R237 HydrophobicContact CE3-CB 4.37Å; W217-R237 HydrophobicContact CE3-CG 4.12Å; W217-R237 HydrophobicContact CZ3-CB 4.09Å; W217-R237 HydrophobicContact CZ3-CG 3.64Å; W217-V239 HydrophobicContact CD2-CG2 3.56Å; W217-V239 HydrophobicContact CE3-CG2 3.94Å; W217-V239 HydrophobicContact CG-CG1 4.31Å; W217-V239 HydrophobicContact CG-CG2 3.9Å; W217-V239 HydrophobicContact CH2-CG2 4.38Å; W217-V239 HydrophobicContact CZ2-CG2 4.04Å; W217-V239 HydrophobicContact CZ3-CG2 4.36Å |
| 218 | L | 98.6 | Very high | 97 | Very high | 33 Ų | 33 | 56 Ų | 56 | 17% | 0.173 | 28% | 0.275 | C | S | . | . | trans | -87.3 | -30.8 | -171 | -54.4 | -174.5 | 0 | 0 | 0 | 112.8 | H216 I238 V240 V249 A254 V281 | H216-L218 HydrophobicContact CB-CD2 4.22Å; H216-L218 PolarHBondContact O-N 2.8Å; L218-I238 HydrophobicContact CB-CB 4.39Å; L218-I238 HydrophobicContact CD1-CG2 3.9Å; L218-I238 HydrophobicContact CG-CG2 4.46Å; L218-I238 PolarHBondContact N-O 2.95Å; L218-V240 HydrophobicContact CD1-CG1 3.78Å; L218-V240 HydrophobicContact CD1-CG2 4.16Å; L218-V240 HydrophobicContact CD2-CG2 4Å; L218-V240 HydrophobicContact CG-CG1 4.49Å; L218-V240 HydrophobicContact CG-CG2 4.25Å; L218-V249 HydrophobicContact CD1-CG1 4.3Å; L218-V249 HydrophobicContact CD1-CG2 3.89Å; L218-A254 HydrophobicContact CB-CB 3.56Å; L218-A254 HydrophobicContact CD1-CB 4.49Å; L218-V281 HydrophobicContact CD1-CG2 4.02Å | ||
| 219 | I | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -87.5 | 117.9 | 171.5 | -55.2 | -60.9 | 0 | 0 | 0 | 108.5 | T223 T225 R237 I238 A254 V279 | I219-T223 HydrophobicContact CG2-CG2 4Å; I219-T225 HydrophobicContact CG2-CG2 4.28Å; I219-R237 PolarHBondContact O-NH1 2.94Å; I219-I238 HydrophobicContact CD1-CD1 4.44Å; I219-I238 HydrophobicContact CG1-CB 4.21Å; I219-I238 HydrophobicContact CG1-CG1 4.13Å; I219-A254 HydrophobicContact CD1-CB 4.07Å; I219-V279 HydrophobicContact CD1-CB 4.09Å; I219-V279 HydrophobicContact CD1-CG1 4.11Å; I219-V279 HydrophobicContact CG1-CB 4.18Å; I219-V279 HydrophobicContact CG1-CG1 4.09Å |
| 220 | G | 94 | Very high | 96.6 | Very high | 35 Ų | 35 | 62.2 Ų | 62.2 | 36% | 0.361 | 32% | 0.317 | S | S | . | . | trans | -63.2 | 158.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N222 T223 S234 | G220-N222 VanDerWaalsContact C-N 3.25Å; G220-N222 PolarHBondContact O-N 2.93Å; G220-T223 WeakPolarHBondContact O-CB 3.33Å; G220-T223 PolarHBondContact O-N 2.87Å; G220-S234 PolarHBondContact O-OG 2.9Å; G220-S234 VanDerWaalsContact O-OG 3.13Å | ||
| 221 | E | 90.1 | Very high | 96.5 | Very high | 102 Ų | 102 | 62.9 Ų | 62.9 | 48% | 0.477 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -13.2 | -179.3 | -64.9 | -172.2 | 171.3 | 0 | 0 | 114.9 | R204 S234 | R204-E221 IonicContact CZ-OE1 3.53Å; R204-E221 VanDerWaalsContact CZ-OE1 3.23Å; R204-E221 IonicContact NE-OE1 3.44Å; R204-E221 PolarHBondContact NE-OE1 3.45Å; R204-E221 IonicContact NH2-OE1 3.84Å; R204-E221 PolarHBondContact NH2-OE1 3.33Å; E221-S234 VanDerWaalsContact C-OG 3.28Å; E221-S234 PolarHBondContact O-OG 3.14Å |
| 222 | N | 91.9 | Very high | 96.4 | Very high | 162 Ų | 162 | 63.4 Ų | 63.4 | 87% | 0.866 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.4 | 26.7 | 179.3 | -58.4 | -51.4 | 0 | 0 | 0 | 111.1 | G220 | G220-N222 VanDerWaalsContact C-N 3.25Å; G220-N222 PolarHBondContact O-N 2.93Å |
| 223 | T | 96.3 | Very high | 96.3 | Very high | 44 Ų | 44 | 62.1 Ų | 62.1 | 27% | 0.27 | 32% | 0.323 | S | S | . | . | trans | -103.8 | 111.2 | -177.1 | -61.9 | 0 | 0 | 0 | 0 | 108.9 | I219 G220 T225 S234 P256 | I219-T223 HydrophobicContact CG2-CG2 4Å; G220-T223 WeakPolarHBondContact O-CB 3.33Å; G220-T223 PolarHBondContact O-N 2.87Å; T223-T225 PolarHBondContact O-N 3.37Å; T223-S234 VanDerWaalsContact C-OG 3.29Å; T223-S234 PolarHBondContact N-OG 2.94Å; T223-S234 VanDerWaalsContact O-CA 3.29Å; T223-S234 WeakPolarHBondContact O-CA 3.38Å; T223-S234 WeakPolarHBondContact O-CB 3.41Å; T223-S234 PolarHBondContact O-OG 3.01Å; T223-P256 HydrophobicContact CG2-CG 3.61Å | ||
| 224 | D | 97.9 | Very high | 96.2 | Very high | 50 Ų | 50 | 51.3 Ų | 51.3 | 27% | 0.267 | 28% | 0.282 | S | S | . | . | trans | -70.3 | 121.8 | -178.9 | -168.6 | 4.9 | 0 | 0 | 0 | 111.5 | T226 C233 P256 | D224-T226 PolarHBondContact OD1-N 3Å; D224-T226 PolarHBondContact OD1-OG1 3.26Å; D224-C233 PolarHBondContact OD1-N 3.4Å; D224-P256 WeakPolarHBondContact O-CG 3.24Å | ||
| 225 | T | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -109.5 | 12.2 | 176.4 | 71.3 | 0 | 0 | 0 | 0 | 112.1 | I219 T223 C233 Y235 D236 P256 H276 Y277 V279 | I219-T225 HydrophobicContact CG2-CG2 4.28Å; T223-T225 PolarHBondContact O-N 3.37Å; T225-C233 PolarHBondContact N-O 2.81Å; T225-C233 PolarHBondContact OG1-O 2.84Å; T225-Y235 PolarHBondContact OG1-N 2.88Å; T225-D236 WeakPolarHBondContact CB-OD2 3.42Å; T225-D236 HydrophobicContact CG2-CB 4.08Å; T225-D236 PolarHBondContact OG1-N 2.82Å; T225-D236 PolarHBondContact OG1-OD2 3.16Å; T225-P256 HydrophobicContact CG2-CB 4.4Å; T225-H276 CarbonylContact O-C 3.56Å; T225-H276 WeakPolarHBondContact O-CA 3.5Å; T225-Y277 PolarHBondContact O-N 2.88Å; T225-V279 HydrophobicContact CG2-CG1 3.78Å | ||
| 226 | T | 98.2 | Very high | 96.2 | Very high | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.043 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -107.9 | 144.6 | -177.7 | 68.9 | 0 | 0 | 0 | 0 | 112 | D224 T231 C233 Y235 Y277 | D224-T226 PolarHBondContact OD1-N 3Å; D224-T226 PolarHBondContact OD1-OG1 3.26Å; T226-T231 WeakPolarHBondContact CB-OG1 3.16Å; T226-T231 PolarHBondContact OG1-OG1 3.13Å; T226-C233 HydrophobicContact CG2-CB 4.11Å; T226-Y235 HydrophobicContact CG2-CD2 3.68Å; T226-Y235 HydrophobicContact CG2-CE2 3.94Å; T226-Y277 WeakPolarHBondContact O-CD2 3.49Å; T226-Y277 WeakPolarHBondContact O-CE2 3.34Å |
| 227 | V | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -77.6 | -32.4 | -179.5 | 170 | 0 | 0 | 0 | 0 | 112 | H229 F259 A270 L271 S274 D275 Y277 | V227-H229 PolarHBondContact O-N 3.28Å; V227-F259 HydrophobicContact CG2-CE1 4.04Å; V227-F259 HydrophobicContact CG2-CZ 3.75Å; V227-A270 HydrophobicContact CG1-CB 3.55Å; V227-L271 HydrophobicContact CB-CD2 4.15Å; V227-L271 HydrophobicContact CG1-CD2 3.86Å; V227-L271 HydrophobicContact CG1-CG 4.03Å; V227-S274 WeakPolarHBondContact CG2-O 3.27Å; V227-D275 PolarHBondContact N-O 3.04Å; V227-Y277 HydrophobicContact CB-CE1 4.25Å; V227-Y277 HydrophobicContact CG2-CD1 3.65Å; V227-Y277 HydrophobicContact CG2-CE1 3.5Å; V227-Y277 HydrophobicContact CG2-CG 4.29Å |
| 228 | K | 96.9 | Very high | 96.3 | Very high | 104 Ų | 104 | 43.9 Ų | 43.9 | 45% | 0.452 | 25% | 0.245 | S | C | . | . | trans | -73.8 | 125.4 | -171.1 | -165.6 | -177 | -176.6 | -167.3 | 0 | 110.7 | S230 T231 E267 L271 | K228-S230 WeakPolarHBondContact CD-OG 3.35Å; K228-S230 WeakPolarHBondContact CE-OG 3.03Å; K228-S230 WeakPolarHBondContact CG-OG 3.02Å; K228-S230 PolarHBondContact NZ-OG 2.82Å; K228-S230 PolarHBondContact O-N 3.47Å; K228-T231 PolarHBondContact O-N 3.32Å; K228-T231 PolarHBondContact O-OG1 2.91Å; K228-E267 WeakPolarHBondContact CA-OE1 3.4Å; K228-L271 HydrophobicContact CB-CD2 4.44Å | ||
| 229 | H | 94.2 | Very high | 96.3 | Very high | 129 Ų | 129 | 42.3 Ų | 42.3 | 60% | 0.597 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -22.1 | -179.2 | -65 | -45.1 | 0 | 0 | 0 | 114 | V227 T231 Q260 E267 | V227-H229 PolarHBondContact O-N 3.28Å; H229-T231 VanDerWaalsContact C-N 3.28Å; H229-Q260 PolarHBondContact CE1-NE2 2.8Å; H229-Q260 VanDerWaalsContact CE1-NE2 3.32Å; H229-Q260 PolarHBondContact NE2-NE2 3.48Å; H229-Q260 VanDerWaalsContact NE2-NE2 3.16Å; H229-E267 IonicContact CD2-OE1 3.69Å; H229-E267 PolarHBondContact CD2-OE1 2.86Å; H229-E267 IonicContact CD2-OE2 3.89Å; H229-E267 IonicContact CG-OE1 3.35Å; H229-E267 PolarHBondContact N-OE1 2.97Å |
| 230 | S | 94.6 | Very high | 96.3 | Very high | 85 Ų | 85 | 42.2 Ų | 42.2 | 59% | 0.594 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -7 | 177.4 | 68.3 | 0 | 0 | 0 | 0 | 114 | K228 | K228-S230 WeakPolarHBondContact CD-OG 3.35Å; K228-S230 WeakPolarHBondContact CE-OG 3.03Å; K228-S230 WeakPolarHBondContact CG-OG 3.02Å; K228-S230 PolarHBondContact NZ-OG 2.82Å; K228-S230 PolarHBondContact O-N 3.47Å |
| 231 | T | 92.5 | Very high | 96.6 | Very high | 48 Ų | 48 | 41 Ų | 41 | 29% | 0.294 | 22% | 0.222 | S | C | . | . | trans | -118.3 | 152.6 | 179 | 50.4 | 0 | 0 | 0 | 0 | 109.8 | T226 K228 H229 | T226-T231 WeakPolarHBondContact CB-OG1 3.16Å; T226-T231 PolarHBondContact OG1-OG1 3.13Å; K228-T231 PolarHBondContact O-N 3.32Å; K228-T231 PolarHBondContact O-OG1 2.91Å; H229-T231 VanDerWaalsContact C-N 3.28Å | ||
| 232 | S | 95.3 | Very high | 96.9 | Very high | 84 Ų | 84 | 36.8 Ų | 36.8 | 59% | 0.587 | 21% | 0.205 | S | C | * | . | trans | -149.1 | 93.1 | 170.2 | -165.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 233 | C | 96.3 | Very high | 97.2 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 4% | 0.041 | 19% | 0.186 | C | C | . | . | trans | -139.4 | 136.6 | -170 | -61.3 | 0 | 0 | 0 | 0 | 110.6 | C196 D224 T225 T226 Y235 | C196-C233 HydrophobicContact CB-CB 4.09Å; C196-C233 WeakPolarHBondContact CB-SG 3.21Å; C196-C233 VanDerWaalsContact SG-CA 3.59Å; C196-C233 WeakPolarHBondContact SG-CB 3.39Å; C196-C233 CovalentContact SG-SG 2.04Å; C196-C233 PolarHBondContact SG-SG 3.04Å; D224-C233 PolarHBondContact OD1-N 3.4Å; T225-C233 PolarHBondContact N-O 2.81Å; T225-C233 PolarHBondContact OG1-O 2.84Å; T226-C233 HydrophobicContact CG2-CB 4.11Å; C233-Y235 VanDerWaalsContact C-N 3.33Å; C233-Y235 HydrophobicContact CB-CD1 3.9Å; C233-Y235 HydrophobicContact CB-CD2 3.9Å; C233-Y235 HydrophobicContact CB-CE1 3.65Å; C233-Y235 HydrophobicContact CB-CE2 3.63Å; C233-Y235 HydrophobicContact CB-CG 4.03Å; C233-Y235 VanDerWaalsContact CB-CZ 3.5Å; C233-Y235 PolarHBondContact O-N 3.37Å; C233-Y235 VanDerWaalsContact SG-CZ 3.57Å; C233-Y235 PolarHBondContact SG-OH 2.9Å; C233-Y235 VanDerWaalsContact SG-OH 3.39Å | ||
| 234 | S | 96.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | trans | -89.1 | 63.7 | 173.6 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | D195 G220 E221 T223 R237 | D195-S234 PolarHBondContact OD2-N 3.29Å; G220-S234 PolarHBondContact O-OG 2.9Å; G220-S234 VanDerWaalsContact O-OG 3.13Å; E221-S234 VanDerWaalsContact C-OG 3.28Å; E221-S234 PolarHBondContact O-OG 3.14Å; T223-S234 VanDerWaalsContact C-OG 3.29Å; T223-S234 PolarHBondContact N-OG 2.94Å; T223-S234 VanDerWaalsContact O-CA 3.29Å; T223-S234 WeakPolarHBondContact O-CA 3.38Å; T223-S234 WeakPolarHBondContact O-CB 3.41Å; T223-S234 PolarHBondContact O-OG 3.01Å; S234-R237 PolarHBondContact O-NE 3.08Å; S234-R237 PolarHBondContact O-NH2 3.45Å | ||
| 235 | Y | 98.1 | Very high | 97.3 | Very high | 28 Ų | 28 | 35.1 Ų | 35.1 | 11% | 0.11 | 19% | 0.186 | C | C | . | . | trans | -73.8 | -46.9 | -178.2 | -67.5 | -34.7 | 0 | 0 | 0 | 112.5 | F192 N193 D195 C196 Y198 T225 T226 C233 | F192-Y235 PolarHBondContact N-O 3.17Å; N193-Y235 PolarHBondContact N-O 3.38Å; D195-Y235 HydrophobicContact CB-CD1 4.33Å; C196-Y235 HydrophobicContact CB-CE1 3.95Å; Y198-Y235 HydrophobicContact CD2-CD1 4.17Å; Y198-Y235 AromaticContact CD2-CE1 3.43Å; Y198-Y235 HydrophobicContact CD2-CE1 3.43Å; Y198-Y235 VanDerWaalsContact CD2-CE1 3.43Å; Y198-Y235 AromaticContact CD2-CZ 3.7Å; Y198-Y235 AromaticContact CE2-CE1 3.77Å; Y198-Y235 HydrophobicContact CE2-CE1 3.77Å; Y198-Y235 HydrophobicContact CE2-CE2 4.16Å; Y198-Y235 AromaticContact CE2-CZ 3.5Å; Y198-Y235 WeakPolarHBondContact CE2-OH 3.09Å; Y198-Y235 HydrophobicContact CG-CE1 4.41Å; T225-Y235 PolarHBondContact OG1-N 2.88Å; T226-Y235 HydrophobicContact CG2-CD2 3.68Å; T226-Y235 HydrophobicContact CG2-CE2 3.94Å; C233-Y235 VanDerWaalsContact C-N 3.33Å; C233-Y235 HydrophobicContact CB-CD1 3.9Å; C233-Y235 HydrophobicContact CB-CD2 3.9Å; C233-Y235 HydrophobicContact CB-CE1 3.65Å; C233-Y235 HydrophobicContact CB-CE2 3.63Å; C233-Y235 HydrophobicContact CB-CG 4.03Å; C233-Y235 VanDerWaalsContact CB-CZ 3.5Å; C233-Y235 PolarHBondContact O-N 3.37Å; C233-Y235 VanDerWaalsContact SG-CZ 3.57Å; C233-Y235 PolarHBondContact SG-OH 2.9Å; C233-Y235 VanDerWaalsContact SG-OH 3.39Å | ||
| 236 | D | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 133.4 | -176.8 | -54.4 | -100.3 | 0 | 0 | 0 | 110.6 | G190 T225 H276 V279 | G190-D236 WeakPolarHBondContact O-CA 3.33Å; T225-D236 WeakPolarHBondContact CB-OD2 3.42Å; T225-D236 HydrophobicContact CG2-CB 4.08Å; T225-D236 PolarHBondContact OG1-N 2.82Å; T225-D236 PolarHBondContact OG1-OD2 3.16Å; D236-H276 IonicContact OD1-ND1 3.05Å; D236-H276 PolarHBondContact OD1-ND1 3.05Å; D236-H276 IonicContact OD2-CE1 3.3Å; D236-H276 IonicContact OD2-CG 3.37Å; D236-H276 IonicContact OD2-ND1 2.64Å; D236-H276 PolarHBondContact OD2-ND1 3.31Å; D236-V279 HydrophobicContact CB-CB 4.4Å; D236-V279 HydrophobicContact CB-CG1 3.57Å; D236-V279 HydrophobicContact CB-CG2 3.94Å |
| 237 | R | 98.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 155.1 | -169.5 | -61.7 | -68.7 | -172.2 | 142.5 | 6.9 | 112 | L189 G190 F192 A194 W217 I219 S234 | L189-R237 VanDerWaalsContact CA-O 3.24Å; L189-R237 WeakPolarHBondContact CA-O 3.3Å; G190-R237 PolarHBondContact N-O 3.32Å; G190-R237 VanDerWaalsContact N-O 3.08Å; G190-R237 PolarHBondContact O-N 3.08Å; F192-R237 HydrophobicContact CB-CB 4.29Å; F192-R237 HydrophobicContact CB-CG 4.04Å; F192-R237 HydrophobicContact CD2-CB 3.57Å; F192-R237 HydrophobicContact CD2-CG 3.99Å; F192-R237 HydrophobicContact CE2-CB 3.99Å; F192-R237 HydrophobicContact CG-CB 3.95Å; F192-R237 HydrophobicContact CG-CG 4.24Å; A194-R237 HydrophobicContact CB-CG 3.94Å; A194-R237 PolarHBondContact O-NH2 2.91Å; A194-R237 VanDerWaalsContact O-NH2 3.08Å; W217-R237 HydrophobicContact CE3-CB 4.37Å; W217-R237 HydrophobicContact CE3-CG 4.12Å; W217-R237 HydrophobicContact CZ3-CB 4.09Å; W217-R237 HydrophobicContact CZ3-CG 3.64Å; I219-R237 PolarHBondContact O-NH1 2.94Å; S234-R237 PolarHBondContact O-NE 3.08Å; S234-R237 PolarHBondContact O-NH2 3.45Å |
| 238 | I | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 125 | 167.7 | -56.2 | 177.6 | 0 | 0 | 0 | 106.6 | M187 L189 L218 I219 V279 V281 | M187-I238 HydrophobicContact CE-CG2 4.01Å; M187-I238 HydrophobicContact CG-CG2 3.9Å; M187-I238 HydrophobicContact SD-CG2 3.76Å; L189-I238 HydrophobicContact CB-CG1 4.32Å; L218-I238 HydrophobicContact CB-CB 4.39Å; L218-I238 HydrophobicContact CD1-CG2 3.9Å; L218-I238 HydrophobicContact CG-CG2 4.46Å; L218-I238 PolarHBondContact N-O 2.95Å; I219-I238 HydrophobicContact CD1-CD1 4.44Å; I219-I238 HydrophobicContact CG1-CB 4.21Å; I219-I238 HydrophobicContact CG1-CG1 4.13Å; I238-V279 HydrophobicContact CD1-CB 4.11Å; I238-V279 HydrophobicContact CD1-CG2 4.07Å; I238-V279 HydrophobicContact CG1-CB 4.21Å; I238-V279 HydrophobicContact CG1-CG2 3.78Å; I238-V281 HydrophobicContact CD1-CB 3.9Å; I238-V281 HydrophobicContact CD1-CG1 3.88Å; I238-V281 HydrophobicContact CG2-CG1 4.2Å |
| 239 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 132.8 | 180 | -172.1 | 0 | 0 | 0 | 0 | 108.3 | M187 L188 F192 L215 H216 W217 | M187-V239 CarbonylContact C-O 3.59Å; M187-V239 VanDerWaalsContact CA-O 3.26Å; M187-V239 WeakPolarHBondContact CA-O 3.21Å; L188-V239 HydrophobicContact CB-CB 4.42Å; L188-V239 HydrophobicContact CD1-CB 4.34Å; L188-V239 HydrophobicContact CD1-CG1 4.44Å; L188-V239 PolarHBondContact N-O 3.04Å; L188-V239 PolarHBondContact O-N 3.29Å; F192-V239 HydrophobicContact CE2-CG2 4.01Å; L215-V239 HydrophobicContact CB-CG1 3.9Å; L215-V239 HydrophobicContact CD2-CG1 3.96Å; L215-V239 HydrophobicContact CG-CG1 4.46Å; H216-V239 WeakPolarHBondContact O-CA 3.35Å; W217-V239 HydrophobicContact CD2-CG2 3.56Å; W217-V239 HydrophobicContact CE3-CG2 3.94Å; W217-V239 HydrophobicContact CG-CG1 4.31Å; W217-V239 HydrophobicContact CG-CG2 3.9Å; W217-V239 HydrophobicContact CH2-CG2 4.38Å; W217-V239 HydrophobicContact CZ2-CG2 4.04Å; W217-V239 HydrophobicContact CZ3-CG2 4.36Å |
| 240 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 140.7 | 176.3 | -62.9 | 0 | 0 | 0 | 0 | 111.2 | M187 H216 L218 F245 N246 | M187-V240 HydrophobicContact CB-CG1 4.09Å; M187-V240 HydrophobicContact CE-CG1 3.64Å; M187-V240 HydrophobicContact CG-CG1 4.03Å; H216-V240 HydrophobicContact CB-CG2 3.85Å; H216-V240 PolarHBondContact N-O 2.94Å; H216-V240 PolarHBondContact O-N 3.18Å; L218-V240 HydrophobicContact CD1-CG1 3.78Å; L218-V240 HydrophobicContact CD1-CG2 4.16Å; L218-V240 HydrophobicContact CD2-CG2 4Å; L218-V240 HydrophobicContact CG-CG1 4.49Å; L218-V240 HydrophobicContact CG-CG2 4.25Å; V240-F245 HydrophobicContact CB-CB 4.1Å; V240-F245 HydrophobicContact CB-CD1 4.01Å; V240-F245 HydrophobicContact CB-CD2 4.43Å; V240-F245 HydrophobicContact CB-CG 3.92Å; V240-F245 HydrophobicContact CG1-CD1 3.71Å; V240-F245 HydrophobicContact CG1-CE1 3.93Å; V240-F245 HydrophobicContact CG1-CG 4.07Å; V240-F245 HydrophobicContact CG1-CZ 4.44Å; V240-N246 HydrophobicContact CG2-CB 4.23Å |
| 241 | H | 98.8 | Very high | 97.5 | Very high | 10 Ų | 10 | 36.8 Ų | 36.8 | 5% | 0.046 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 126 | 177.9 | 177.4 | -89.6 | 0 | 0 | 0 | 111.2 | L174 R178 E184 V186 L215 F245 | L174-H241 HydrophobicContact CD1-CB 4.17Å; R178-H241 PolarHBondContact NE-CE1 3.21Å; E184-H241 PolarHBondContact O-ND1 2.93Å; E184-H241 VanDerWaalsContact O-ND1 3.07Å; E184-H241 IonicContact OE2-CE1 3.66Å; E184-H241 PolarHBondContact OE2-CE1 2.72Å; E184-H241 IonicContact OE2-ND1 3.73Å; E184-H241 PolarHBondContact OE2-ND1 2.84Å; E184-H241 IonicContact OE2-NE2 3.43Å; V186-H241 HydrophobicContact CB-CB 4.21Å; V186-H241 PolarHBondContact O-N 3.39Å; L215-H241 HydrophobicContact CD2-CB 4.03Å; H241-F245 WeakPolarHBondContact O-CB 3.18Å |
| 242 | G | 97.6 | Very high | 97.6 | Very high | 12 Ų | 12 | 40.3 Ų | 40.3 | 12% | 0.124 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | 77.7 | 153.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | N214 K244 F245 N246 | N214-G242 PolarHBondContact O-N 2.88Å; G242-K244 PolarHBondContact O-N 3.46Å; G242-K244 VanDerWaalsContact O-N 3.15Å; G242-F245 PolarHBondContact O-N 3.07Å; G242-F245 VanDerWaalsContact O-N 3.14Å; G242-N246 PolarHBondContact O-N 3.4Å; G242-N246 VanDerWaalsContact O-N 3.07Å |
| 243 | E | 97.6 | Very high | 97.7 | Very high | 98 Ų | 98 | 37 Ų | 37 | 46% | 0.458 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.8 | -29.8 | -178.2 | -78.6 | -61.7 | 150.8 | 0 | 0 | 114.3 | H216 R247 | H216-E243 IonicContact CE1-OE1 2.77Å; H216-E243 PolarHBondContact CE1-OE1 2.83Å; H216-E243 IonicContact NE2-OE1 3.78Å; E243-R247 WeakPolarHBondContact O-CB 3.28Å; E243-R247 WeakPolarHBondContact O-CG 3.36Å; E243-R247 PolarHBondContact O-N 3Å; E243-R247 IonicContact OE2-NH1 3.67Å |
| 244 | K | 97.7 | Very high | 97.8 | Very high | 123 Ų | 123 | 37.7 Ų | 37.7 | 54% | 0.535 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.5 | -47 | 177.3 | -179.5 | 179.4 | 171.8 | -170.5 | 0 | 111.2 | N185 G242 A248 | N185-K244 WeakPolarHBondContact OD1-CD 3.41Å; G242-K244 PolarHBondContact O-N 3.46Å; G242-K244 VanDerWaalsContact O-N 3.15Å; K244-A248 PolarHBondContact O-N 2.67Å |
| 245 | F | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.5 | -45.8 | 178.1 | -153 | -39.4 | 0 | 0 | 0 | 109.8 | I148 F151 N185 V186 M187 V240 H241 G242 R247 A248 V249 L283 | I148-F245 HydrophobicContact CD1-CB 3.84Å; I148-F245 HydrophobicContact CD1-CD1 3.58Å; I148-F245 HydrophobicContact CD1-CD2 3.43Å; I148-F245 VanDerWaalsContact CD1-CD2 3.43Å; I148-F245 HydrophobicContact CD1-CE1 3.85Å; I148-F245 HydrophobicContact CD1-CE2 3.73Å; I148-F245 HydrophobicContact CD1-CG 3.32Å; I148-F245 HydrophobicContact CD1-CZ 3.91Å; F151-F245 HydrophobicContact CB-CE2 3.67Å; F151-F245 HydrophobicContact CB-CZ 3.8Å; F151-F245 HydrophobicContact CD2-CZ 4.48Å; F151-F245 HydrophobicContact CG-CZ 4.18Å; N185-F245 VanDerWaalsContact C-CD2 3.48Å; N185-F245 HydrophobicContact CB-CD2 4.23Å; V186-F245 WeakPolarHBondContact O-CD2 3.41Å; M187-F245 HydrophobicContact CB-CE2 3.85Å; M187-F245 HydrophobicContact CB-CZ 3.81Å; M187-F245 HydrophobicContact CE-CE1 3.66Å; M187-F245 HydrophobicContact CE-CZ 3.79Å; V240-F245 HydrophobicContact CB-CB 4.1Å; V240-F245 HydrophobicContact CB-CD1 4.01Å; V240-F245 HydrophobicContact CB-CD2 4.43Å; V240-F245 HydrophobicContact CB-CG 3.92Å; V240-F245 HydrophobicContact CG1-CD1 3.71Å; V240-F245 HydrophobicContact CG1-CE1 3.93Å; V240-F245 HydrophobicContact CG1-CG 4.07Å; V240-F245 HydrophobicContact CG1-CZ 4.44Å; H241-F245 WeakPolarHBondContact O-CB 3.18Å; G242-F245 PolarHBondContact O-N 3.07Å; G242-F245 VanDerWaalsContact O-N 3.14Å; F245-R247 VanDerWaalsContact C-N 3.26Å; F245-R247 PolarHBondContact O-N 3.28Å; F245-A248 WeakPolarHBondContact O-CA 3.42Å; F245-A248 VanDerWaalsContact O-CB 3.32Å; F245-A248 WeakPolarHBondContact O-CB 3.36Å; F245-A248 PolarHBondContact O-N 2.83Å; F245-V249 HydrophobicContact CD1-CG2 4.45Å; F245-V249 PolarHBondContact O-N 3.14Å; F245-L283 HydrophobicContact CE1-CD1 4.44Å; F245-L283 HydrophobicContact CE1-CD2 3.84Å |
| 246 | N | 98.3 | Very high | 97.9 | Very high | 50 Ų | 50 | 42.3 Ų | 42.3 | 27% | 0.267 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -53.9 | -42.8 | 178.3 | -168 | 35.6 | 0 | 0 | 0 | 112.4 | H216 V240 G242 A248 V249 | H216-N246 PolarHBondContact ND1-ND2 2.97Å; V240-N246 HydrophobicContact CG2-CB 4.23Å; G242-N246 PolarHBondContact O-N 3.4Å; G242-N246 VanDerWaalsContact O-N 3.07Å; N246-A248 VanDerWaalsContact C-N 3.29Å; N246-A248 PolarHBondContact O-N 3.34Å; N246-V249 WeakPolarHBondContact O-CB 3.41Å; N246-V249 PolarHBondContact O-N 2.97Å |
| 247 | R | 97.4 | Very high | 97.9 | Very high | 150 Ų | 150 | 43 Ų | 43 | 57% | 0.566 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -68.5 | -22.9 | 174.7 | -75.6 | -168.7 | -62.7 | -90.9 | 0.9 | 114.7 | E243 F245 V249 K284 | E243-R247 WeakPolarHBondContact O-CB 3.28Å; E243-R247 WeakPolarHBondContact O-CG 3.36Å; E243-R247 PolarHBondContact O-N 3Å; E243-R247 IonicContact OE2-NH1 3.67Å; F245-R247 VanDerWaalsContact C-N 3.26Å; F245-R247 PolarHBondContact O-N 3.28Å; R247-V249 VanDerWaalsContact C-N 3.31Å; R247-K284 WeakPolarHBondContact O-CD 3.43Å; R247-K284 WeakPolarHBondContact O-CE 3.36Å; R247-K284 PolarHBondContact O-NZ 3.29Å |
| 248 | A | 97.4 | Very high | 97.9 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 5% | 0.05 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -78 | -17.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I148 K244 F245 N246 L283 K284 | I148-A248 HydrophobicContact CB-CB 3.9Å; I148-A248 HydrophobicContact CD1-CB 4.36Å; K244-A248 PolarHBondContact O-N 2.67Å; F245-A248 WeakPolarHBondContact O-CA 3.42Å; F245-A248 VanDerWaalsContact O-CB 3.32Å; F245-A248 WeakPolarHBondContact O-CB 3.36Å; F245-A248 PolarHBondContact O-N 2.83Å; N246-A248 VanDerWaalsContact C-N 3.29Å; N246-A248 PolarHBondContact O-N 3.34Å; A248-L283 WeakPolarHBondContact O-CA 3.44Å; A248-K284 WeakPolarHBondContact O-CB 3.45Å; A248-K284 WeakPolarHBondContact O-CG 3.38Å; A248-K284 PolarHBondContact O-N 3.44Å |
| 249 | V | 98.2 | Very high | 97.9 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 7% | 0.067 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -71.5 | 139 | 173.9 | 174.7 | 0 | 0 | 0 | 0 | 110.2 | L218 F245 N246 R247 V281 L283 K284 | L218-V249 HydrophobicContact CD1-CG1 4.3Å; L218-V249 HydrophobicContact CD1-CG2 3.89Å; F245-V249 HydrophobicContact CD1-CG2 4.45Å; F245-V249 PolarHBondContact O-N 3.14Å; N246-V249 WeakPolarHBondContact O-CB 3.41Å; N246-V249 PolarHBondContact O-N 2.97Å; R247-V249 VanDerWaalsContact C-N 3.31Å; V249-V281 HydrophobicContact CG1-CG2 3.62Å; V249-V281 HydrophobicContact CG2-CG2 4.32Å; V249-L283 HydrophobicContact CG2-CD2 4.14Å; V249-K284 WeakPolarHBondContact O-CE 3.27Å |
| 250 | V | 97.7 | Very high | 97.9 | Very high | 45 Ų | 45 | 46.1 Ų | 46.1 | 27% | 0.273 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -70.2 | 123.1 | 168.7 | 179 | 0 | 0 | 0 | 0 | 107.8 | S252 S253 L282 K284 | V250-S252 PolarHBondContact O-N 3.38Å; V250-S253 VanDerWaalsContact O-CB 3.27Å; V250-S253 WeakPolarHBondContact O-CB 3.47Å; V250-S253 PolarHBondContact O-N 2.76Å; V250-S253 VanDerWaalsContact O-N 3.15Å; V250-S253 PolarHBondContact O-OG 3.32Å; V250-L282 HydrophobicContact CB-CB 3.9Å; V250-L282 HydrophobicContact CG2-CB 3.75Å; V250-L282 PolarHBondContact N-O 3.38Å; V250-K284 HydrophobicContact CG2-CG 3.87Å |
| 251 | P | 96 | Very high | 97.9 | Very high | 98 Ų | 98 | 53.4 Ų | 53.4 | 64% | 0.636 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 136.4 | -177.3 | -28 | 35.5 | 0 | 0 | 0 | 112.5 | S253 | P251-S253 PolarHBondContact O-N 3.3Š|
| 252 | S | 94.6 | Very high | 97.9 | Very high | 122 Ų | 122 | 58.1 Ų | 58.1 | 85% | 0.853 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 14.4 | 178.7 | -50.2 | 0 | 0 | 0 | 0 | 115.9 | V250 | V250-S252 PolarHBondContact O-N 3.38Š|
| 253 | S | 98 | Very high | 97.9 | Very high | 14 Ų | 14 | 58.9 Ų | 58.9 | 10% | 0.098 | 30% | 0.303 | C | S | . | . | trans | -81.9 | -14.8 | 178.1 | 65.9 | 0 | 0 | 0 | 0 | 114.4 | V250 P251 Q255 L282 | V250-S253 VanDerWaalsContact O-CB 3.27Å; V250-S253 WeakPolarHBondContact O-CB 3.47Å; V250-S253 PolarHBondContact O-N 2.76Å; V250-S253 VanDerWaalsContact O-N 3.15Å; V250-S253 PolarHBondContact O-OG 3.32Å; P251-S253 PolarHBondContact O-N 3.3Å; S253-Q255 PolarHBondContact O-N 3.37Å; S253-L282 PolarHBondContact OG-N 3.28Å; S253-L282 VanDerWaalsContact OG-N 3.08Å; S253-L282 PolarHBondContact OG-O 3.09Å | ||
| 254 | A | 98.5 | Very high | 97.9 | Very high | 22 Ų | 22 | 62.9 Ų | 62.9 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | trans | -78.9 | 113.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L218 I219 E280 V281 | L218-A254 HydrophobicContact CB-CB 3.56Å; L218-A254 HydrophobicContact CD1-CB 4.49Å; I219-A254 HydrophobicContact CD1-CB 4.07Å; A254-E280 CarbonylContact C-O 3.49Å; A254-E280 WeakPolarHBondContact CA-O 3.34Å; A254-V281 HydrophobicContact CB-CB 4.19Å; A254-V281 HydrophobicContact CB-CG2 3.96Å | ||
| 255 | Q | 98.3 | Very high | 97.9 | Very high | 97 Ų | 97 | 58.8 Ų | 58.8 | 45% | 0.453 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 159.2 | -175.4 | 64 | -173.7 | -1 | 0 | 0 | 112 | S253 E280 | S253-Q255 PolarHBondContact O-N 3.37Å; Q255-E280 HydrophobicContact CG-CG 4.24Å; Q255-E280 PolarHBondContact N-O 2.91Å; Q255-E280 WeakPolarHBondContact O-CG 3.44Å; Q255-E280 PolarHBondContact O-N 2.72Å |
| 256 | P | 98.6 | Very high | 97.9 | Very high | 29 Ų | 29 | 62.3 Ų | 62.3 | 19% | 0.188 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 140.3 | 164 | 29.8 | -35.4 | 0 | 0 | 0 | 110 | T223 D224 T225 N258 P278 | T223-P256 HydrophobicContact CG2-CG 3.61Å; D224-P256 WeakPolarHBondContact O-CG 3.24Å; T225-P256 HydrophobicContact CG2-CB 4.4Å; P256-N258 PolarHBondContact O-N 2.83Å; P256-P278 CarbonylContact C-O 3.6Å; P256-P278 WeakPolarHBondContact CA-O 3.49Å |
| 257 | F | 98.8 | Very high | 97.9 | Very high | 13 Ų | 13 | 62.7 Ų | 62.7 | 6% | 0.057 | 33% | 0.328 | C | S | . | . | trans | -92.1 | 98.2 | 169.9 | 177.2 | -118.4 | 0 | 0 | 0 | 109.6 | I50 R53 F259 E262 Y263 P278 E280 | I50-F257 HydrophobicContact CG1-CE1 4.14Å; I50-F257 HydrophobicContact CG2-CD1 4.35Å; R53-F257 VanDerWaalsContact CZ-CD2 3.44Å; F257-F259 VanDerWaalsContact C-N 3.27Å; F257-F259 HydrophobicContact CD1-CB 4.01Å; F257-F259 HydrophobicContact CE1-CB 3.65Å; F257-F259 HydrophobicContact CZ-CB 4.36Å; F257-F259 PolarHBondContact O-N 3.37Å; F257-E262 HydrophobicContact CE2-CB 3.89Å; F257-E262 HydrophobicContact CE2-CG 3.75Å; F257-E262 HydrophobicContact CZ-CB 3.9Å; F257-E262 HydrophobicContact CZ-CG 3.68Å; F257-Y263 HydrophobicContact CE1-CE2 4.13Å; F257-Y263 AromaticContact CE1-CZ 3.81Å; F257-Y263 WeakPolarHBondContact CE1-OH 3.39Å; F257-Y263 HydrophobicContact CZ-CE1 4.05Å; F257-Y263 HydrophobicContact CZ-CE2 4.33Å; F257-Y263 AromaticContact CZ-CZ 3.66Å; F257-Y263 VanDerWaalsContact CZ-OH 3.31Å; F257-Y263 WeakPolarHBondContact CZ-OH 3.14Å; F257-P278 HydrophobicContact CB-CB 4.46Å; F257-P278 HydrophobicContact CB-CG 4.48Å; F257-P278 HydrophobicContact CD1-CG 4.32Å; F257-P278 PolarHBondContact N-O 3.35Å; F257-P278 WeakPolarHBondContact O-CD 3.49Å; F257-E280 HydrophobicContact CB-CG 4.36Å | ||
| 258 | N | 98.6 | Very high | 98 | Very high | 52 Ų | 52 | 62.4 Ų | 62.4 | 28% | 0.278 | 33% | 0.333 | S | S | . | . | trans | -72.1 | 81.5 | 177.2 | -168.9 | -29.8 | 0 | 0 | 0 | 111 | P256 Q260 Q261 E262 Y277 | P256-N258 PolarHBondContact O-N 2.83Å; N258-Q260 PolarHBondContact O-N 3.29Å; N258-Q260 WeakPolarHBondContact OD1-CB 3.3Å; N258-Q260 PolarHBondContact OD1-N 2.81Å; N258-Q261 HydrophobicContact CB-CB 4.31Å; N258-Q261 PolarHBondContact O-N 2.97Å; N258-Q261 PolarHBondContact OD1-N 3.11Å; N258-E262 WeakPolarHBondContact O-CB 3.47Å; N258-E262 PolarHBondContact O-N 2.72Å; N258-Y277 HydrophobicContact CB-CE1 4.27Å; N258-Y277 HydrophobicContact CB-CE2 4.37Å; N258-Y277 PolarHBondContact ND2-OH 2.79Å; N258-Y277 VanDerWaalsContact OD1-CE1 3.29Å; N258-Y277 WeakPolarHBondContact OD1-CE1 3.4Å; N258-Y277 VanDerWaalsContact OD1-CZ 3.28Å; N258-Y277 PolarHBondContact OD1-OH 3.45Å | ||
| 259 | F | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.9 | -20.8 | -180 | 66.4 | -100.1 | 0 | 0 | 0 | 113 | F28 I50 V227 F257 Y263 L265 A270 V273 H276 Y277 | F28-F259 HydrophobicContact CE2-CE1 4.23Å; F28-F259 HydrophobicContact CZ-CE1 4.03Å; I50-F259 HydrophobicContact CD1-CB 3.91Å; I50-F259 HydrophobicContact CD1-CD1 3.86Å; I50-F259 HydrophobicContact CD1-CD2 4.23Å; I50-F259 HydrophobicContact CD1-CE1 4.45Å; I50-F259 HydrophobicContact CD1-CG 3.74Å; I50-F259 HydrophobicContact CG1-CB 4.13Å; V227-F259 HydrophobicContact CG2-CE1 4.04Å; V227-F259 HydrophobicContact CG2-CZ 3.75Å; F257-F259 VanDerWaalsContact C-N 3.27Å; F257-F259 HydrophobicContact CD1-CB 4.01Å; F257-F259 HydrophobicContact CE1-CB 3.65Å; F257-F259 HydrophobicContact CZ-CB 4.36Å; F257-F259 PolarHBondContact O-N 3.37Å; F259-Y263 HydrophobicContact CB-CD2 3.91Å; F259-Y263 HydrophobicContact CB-CE2 3.81Å; F259-Y263 VanDerWaalsContact O-CB 3.28Å; F259-Y263 WeakPolarHBondContact O-CB 3.33Å; F259-Y263 WeakPolarHBondContact O-CD2 3.37Å; F259-Y263 PolarHBondContact O-N 3.4Å; F259-L265 HydrophobicContact CD2-CD1 4.03Å; F259-L265 HydrophobicContact CE2-CD1 4.36Å; F259-A270 HydrophobicContact CE2-CB 3.77Å; F259-A270 HydrophobicContact CZ-CB 4.42Å; F259-V273 HydrophobicContact CE2-CB 3.98Å; F259-V273 HydrophobicContact CE2-CG1 4.17Å; F259-V273 HydrophobicContact CE2-CG2 4.49Å; F259-V273 HydrophobicContact CZ-CB 4.22Å; F259-V273 HydrophobicContact CZ-CG1 4.24Å; F259-H276 WeakPolarHBondContact CE1-O 3.35Å; F259-Y277 AromaticContact CD1-CD1 3.75Å; F259-Y277 HydrophobicContact CD1-CD1 3.75Å; F259-Y277 HydrophobicContact CD1-CE1 4.37Å; F259-Y277 AromaticContact CE1-CD1 3.68Å; F259-Y277 HydrophobicContact CE1-CD1 3.68Å; F259-Y277 HydrophobicContact CE1-CE1 4.28Å; F259-Y277 HydrophobicContact CZ-CD1 4.4Å |
| 260 | Q | 98.3 | Very high | 98 | Very high | 17 Ų | 17 | 67.6 Ų | 67.6 | 8% | 0.079 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.1 | -50.4 | 174 | 178.2 | -171.9 | -4.2 | 0 | 0 | 109.8 | H229 N258 E264 L265 A270 Y277 | H229-Q260 PolarHBondContact CE1-NE2 2.8Å; H229-Q260 VanDerWaalsContact CE1-NE2 3.32Å; H229-Q260 PolarHBondContact NE2-NE2 3.48Å; H229-Q260 VanDerWaalsContact NE2-NE2 3.16Å; N258-Q260 PolarHBondContact O-N 3.29Å; N258-Q260 WeakPolarHBondContact OD1-CB 3.3Å; N258-Q260 PolarHBondContact OD1-N 2.81Å; Q260-E264 WeakPolarHBondContact O-CA 3.19Å; Q260-E264 PolarHBondContact O-N 2.69Å; Q260-E264 VanDerWaalsContact O-N 3.08Å; Q260-L265 HydrophobicContact CG-CB 4.35Å; Q260-L265 WeakPolarHBondContact CG-O 3.28Å; Q260-L265 PolarHBondContact O-N 2.94Å; Q260-A270 HydrophobicContact CB-CB 3.78Å; Q260-A270 HydrophobicContact CG-CB 3.85Å; Q260-Y277 HydrophobicContact CB-CE1 4.08Å; Q260-Y277 PolarHBondContact OE1-OH 3.38Å |
| 261 | Q | 98.3 | Very high | 98.1 | Very high | 152 Ų | 152 | 68 Ų | 68 | 71% | 0.71 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -67.6 | -49.1 | 177.4 | -176.7 | 179 | -5.6 | 0 | 0 | 111.4 | N258 Y263 E264 | N258-Q261 HydrophobicContact CB-CB 4.31Å; N258-Q261 PolarHBondContact O-N 2.97Å; N258-Q261 PolarHBondContact OD1-N 3.11Å; Q261-Y263 VanDerWaalsContact C-N 3.27Å; Q261-Y263 PolarHBondContact O-N 3.1Å; Q261-E264 PolarHBondContact O-N 3.41Å |
| 262 | E | 98.4 | Very high | 98.1 | Very high | 110 Ų | 110 | 66.5 Ų | 66.5 | 51% | 0.514 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.5 | -33.9 | -176.6 | 179.9 | 67 | -164.1 | 0 | 0 | 112.8 | F257 N258 | F257-E262 HydrophobicContact CE2-CB 3.89Å; F257-E262 HydrophobicContact CE2-CG 3.75Å; F257-E262 HydrophobicContact CZ-CB 3.9Å; F257-E262 HydrophobicContact CZ-CG 3.68Å; N258-E262 WeakPolarHBondContact O-CB 3.47Å; N258-E262 PolarHBondContact O-N 2.72Å |
| 263 | Y | 98.2 | Very high | 98.3 | Very high | 27 Ų | 27 | 60.9 Ų | 60.9 | 11% | 0.106 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 13 | -178.6 | -51.9 | -29.5 | 0 | 0 | 0 | 113.4 | T46 R49 I50 F257 F259 Q261 L265 | T46-Y263 HydrophobicContact CG2-CD2 4.04Å; T46-Y263 HydrophobicContact CG2-CE2 4.29Å; R49-Y263 HydrophobicContact CB-CE2 4.47Å; R49-Y263 HydrophobicContact CG-CE1 4.01Å; R49-Y263 HydrophobicContact CG-CE2 4.18Å; R49-Y263 WeakPolarHBondContact CG-OH 3.5Å; R49-Y263 VanDerWaalsContact NH1-CD1 3.26Å; R49-Y263 PolarHBondContact O-OH 2.76Å; I50-Y263 HydrophobicContact CD1-CE2 4.48Å; I50-Y263 HydrophobicContact CG1-CE2 3.75Å; F257-Y263 HydrophobicContact CE1-CE2 4.13Å; F257-Y263 AromaticContact CE1-CZ 3.81Å; F257-Y263 WeakPolarHBondContact CE1-OH 3.39Å; F257-Y263 HydrophobicContact CZ-CE1 4.05Å; F257-Y263 HydrophobicContact CZ-CE2 4.33Å; F257-Y263 AromaticContact CZ-CZ 3.66Å; F257-Y263 VanDerWaalsContact CZ-OH 3.31Å; F257-Y263 WeakPolarHBondContact CZ-OH 3.14Å; F259-Y263 HydrophobicContact CB-CD2 3.91Å; F259-Y263 HydrophobicContact CB-CE2 3.81Å; F259-Y263 VanDerWaalsContact O-CB 3.28Å; F259-Y263 WeakPolarHBondContact O-CB 3.33Å; F259-Y263 WeakPolarHBondContact O-CD2 3.37Å; F259-Y263 PolarHBondContact O-N 3.4Å; Q261-Y263 VanDerWaalsContact C-N 3.27Å; Q261-Y263 PolarHBondContact O-N 3.1Å; Y263-L265 PolarHBondContact O-N 2.73Å |
| 264 | E | 98.2 | Very high | 98.4 | Very high | 183 Ų | 183 | 60.2 Ų | 60.2 | 86% | 0.855 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 41.6 | 176.6 | -57.2 | 178 | 179.1 | 0 | 0 | 112.8 | Q260 Q261 | Q260-E264 WeakPolarHBondContact O-CA 3.19Å; Q260-E264 PolarHBondContact O-N 2.69Å; Q260-E264 VanDerWaalsContact O-N 3.08Å; Q261-E264 PolarHBondContact O-N 3.41Å |
| 265 | L | 98.3 | Very high | 98.3 | Very high | 36 Ų | 36 | 61.6 Ų | 61.6 | 19% | 0.188 | 30% | 0.301 | C | S | . | . | trans | -85 | 144.3 | 179.3 | -55.9 | -179.9 | 0 | 0 | 0 | 110.6 | T46 F259 Q260 Y263 K269 A270 | T46-L265 HydrophobicContact CG2-CD1 4.39Å; F259-L265 HydrophobicContact CD2-CD1 4.03Å; F259-L265 HydrophobicContact CE2-CD1 4.36Å; Q260-L265 HydrophobicContact CG-CB 4.35Å; Q260-L265 WeakPolarHBondContact CG-O 3.28Å; Q260-L265 PolarHBondContact O-N 2.94Å; Y263-L265 PolarHBondContact O-N 2.73Å; L265-K269 HydrophobicContact CB-CB 4.18Å; L265-K269 HydrophobicContact CD2-CB 4.49Å; L265-A270 HydrophobicContact CB-CB 4.36Å | ||
| 266 | T | 98.3 | Very high | 98.4 | Very high | 75 Ų | 75 | 57.6 Ų | 57.6 | 46% | 0.46 | 28% | 0.282 | S | S | . | . | trans | -65.2 | 154.6 | 161.8 | 61.5 | 0 | 0 | 0 | 0 | 109.6 | E268 K269 A270 | T266-E268 PolarHBondContact O-N 3.24Å; T266-K269 PolarHBondContact O-N 3.2Å; T266-K269 WeakPolarHBondContact OG1-CG 3.03Å; T266-K269 PolarHBondContact OG1-N 3.46Å; T266-A270 PolarHBondContact O-N 3.09Å | ||
| 267 | E | 98.2 | Very high | 98.4 | Very high | 58 Ų | 58 | 56.8 Ų | 56.8 | 27% | 0.271 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -52.8 | -43.9 | 175.9 | -173.5 | -175.7 | -150.2 | 0 | 0 | 111.1 | K228 H229 K269 A270 L271 | K228-E267 WeakPolarHBondContact CA-OE1 3.4Å; H229-E267 IonicContact CD2-OE1 3.69Å; H229-E267 PolarHBondContact CD2-OE1 2.86Å; H229-E267 IonicContact CD2-OE2 3.89Å; H229-E267 IonicContact CG-OE1 3.35Å; H229-E267 PolarHBondContact N-OE1 2.97Å; E267-K269 PolarHBondContact O-N 2.97Å; E267-A270 PolarHBondContact O-N 3.39Å; E267-A270 VanDerWaalsContact O-N 3.16Å; E267-L271 HydrophobicContact CG-CD1 3.89Å; E267-L271 HydrophobicContact CG-CG 4.26Å; E267-L271 WeakPolarHBondContact O-CB 3.44Å; E267-L271 VanDerWaalsContact O-CG 3.3Å; E267-L271 WeakPolarHBondContact O-CG 3.46Å; E267-L271 PolarHBondContact O-N 2.82Å |
| 268 | E | 98.2 | Very high | 98.4 | Very high | 144 Ų | 144 | 56.2 Ų | 56.2 | 67% | 0.673 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -56.7 | -45.4 | 176.1 | -174.1 | -169.2 | 168.3 | 0 | 0 | 112.8 | T266 N272 | T266-E268 PolarHBondContact O-N 3.24Å; E268-N272 PolarHBondContact O-N 3.44Å; E268-N272 VanDerWaalsContact O-N 3.11Å; E268-N272 PolarHBondContact O-ND2 3.38Å; E268-N272 VanDerWaalsContact O-ND2 3.1Å |
| 269 | K | 98.2 | Very high | 98.4 | Very high | 125 Ų | 125 | 53.8 Ų | 53.8 | 54% | 0.543 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -68.3 | -37.9 | 177.8 | -75.9 | 178.4 | 178.5 | 179.5 | 0 | 111.4 | L265 T266 E267 N272 V273 | L265-K269 HydrophobicContact CB-CB 4.18Å; L265-K269 HydrophobicContact CD2-CB 4.49Å; T266-K269 PolarHBondContact O-N 3.2Å; T266-K269 WeakPolarHBondContact OG1-CG 3.03Å; T266-K269 PolarHBondContact OG1-N 3.46Å; E267-K269 PolarHBondContact O-N 2.97Å; K269-N272 WeakPolarHBondContact O-CB 3.09Å; K269-N272 PolarHBondContact O-N 3.03Å; K269-V273 PolarHBondContact O-N 3.37Å |
| 270 | A | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.6 | -45.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V227 F259 Q260 L265 T266 E267 N272 V273 S274 | V227-A270 HydrophobicContact CG1-CB 3.55Å; F259-A270 HydrophobicContact CE2-CB 3.77Å; F259-A270 HydrophobicContact CZ-CB 4.42Å; Q260-A270 HydrophobicContact CB-CB 3.78Å; Q260-A270 HydrophobicContact CG-CB 3.85Å; L265-A270 HydrophobicContact CB-CB 4.36Å; T266-A270 PolarHBondContact O-N 3.09Å; E267-A270 PolarHBondContact O-N 3.39Å; E267-A270 VanDerWaalsContact O-N 3.16Å; A270-N272 PolarHBondContact O-N 3.1Å; A270-V273 WeakPolarHBondContact O-CA 3.48Å; A270-V273 VanDerWaalsContact O-CB 3.28Å; A270-V273 WeakPolarHBondContact O-CB 3.28Å; A270-V273 PolarHBondContact O-N 3.08Å; A270-S274 CarbonylContact C-O 3.58Å; A270-S274 PolarHBondContact O-N 2.93Å |
| 271 | L | 98.3 | Very high | 98.4 | Very high | 54 Ų | 54 | 53.3 Ų | 53.3 | 28% | 0.283 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.5 | -28.6 | 176.6 | -72.5 | 173.1 | 0 | 0 | 0 | 113.3 | V227 K228 E267 V273 S274 D275 | V227-L271 HydrophobicContact CB-CD2 4.15Å; V227-L271 HydrophobicContact CG1-CD2 3.86Å; V227-L271 HydrophobicContact CG1-CG 4.03Å; K228-L271 HydrophobicContact CB-CD2 4.44Å; E267-L271 HydrophobicContact CG-CD1 3.89Å; E267-L271 HydrophobicContact CG-CG 4.26Å; E267-L271 WeakPolarHBondContact O-CB 3.44Å; E267-L271 VanDerWaalsContact O-CG 3.3Å; E267-L271 WeakPolarHBondContact O-CG 3.46Å; E267-L271 PolarHBondContact O-N 2.82Å; L271-V273 VanDerWaalsContact C-N 3.27Å; L271-V273 PolarHBondContact O-N 2.81Å; L271-S274 WeakPolarHBondContact CA-O 3.44Å; L271-D275 HydrophobicContact CD2-CB 3.96Å |
| 272 | N | 97.9 | Very high | 98.5 | Very high | 67 Ų | 67 | 46.8 Ų | 46.8 | 36% | 0.358 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.5 | -33.5 | 170 | -79.6 | -47.6 | 0 | 0 | 0 | 112 | K37 I43 E268 K269 A270 | K37-N272 WeakPolarHBondContact CE-O 3.36Å; I43-N272 HydrophobicContact CD1-CB 4.1Å; I43-N272 WeakPolarHBondContact CD1-O 3.38Å; E268-N272 PolarHBondContact O-N 3.44Å; E268-N272 VanDerWaalsContact O-N 3.11Å; E268-N272 PolarHBondContact O-ND2 3.38Å; E268-N272 VanDerWaalsContact O-ND2 3.1Å; K269-N272 WeakPolarHBondContact O-CB 3.09Å; K269-N272 PolarHBondContact O-N 3.03Å; A270-N272 PolarHBondContact O-N 3.1Å |
| 273 | V | 98.4 | Very high | 98.4 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.024 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -75 | -59.6 | 175.8 | -178.8 | 0 | 0 | 0 | 0 | 110.3 | F28 K37 I43 T46 L47 I50 F259 K269 A270 L271 | F28-V273 HydrophobicContact CZ-CG1 4.42Å; K37-V273 PolarHBondContact NZ-O 3.48Å; I43-V273 HydrophobicContact CG2-CG2 4.44Å; T46-V273 HydrophobicContact CG2-CG1 4.25Å; T46-V273 HydrophobicContact CG2-CG2 3.87Å; L47-V273 HydrophobicContact CD2-CG1 3.71Å; L47-V273 HydrophobicContact CG-CG1 4.31Å; I50-V273 HydrophobicContact CD1-CG1 4.19Å; F259-V273 HydrophobicContact CE2-CB 3.98Å; F259-V273 HydrophobicContact CE2-CG1 4.17Å; F259-V273 HydrophobicContact CE2-CG2 4.49Å; F259-V273 HydrophobicContact CZ-CB 4.22Å; F259-V273 HydrophobicContact CZ-CG1 4.24Å; K269-V273 PolarHBondContact O-N 3.37Å; A270-V273 WeakPolarHBondContact O-CA 3.48Å; A270-V273 VanDerWaalsContact O-CB 3.28Å; A270-V273 WeakPolarHBondContact O-CB 3.28Å; A270-V273 PolarHBondContact O-N 3.08Å; L271-V273 VanDerWaalsContact C-N 3.27Å; L271-V273 PolarHBondContact O-N 2.81Å |
| 274 | S | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -162.2 | 160.2 | 174.6 | -171 | 0 | 0 | 0 | 0 | 110.3 | N29 V227 A270 L271 H276 | N29-S274 PolarHBondContact O-OG 3.49Å; V227-S274 WeakPolarHBondContact CG2-O 3.27Å; A270-S274 CarbonylContact C-O 3.58Å; A270-S274 PolarHBondContact O-N 2.93Å; L271-S274 WeakPolarHBondContact CA-O 3.44Å; S274-H276 PolarHBondContact OG-N 2.62Å | ||
| 275 | D | 98.3 | Very high | 98.2 | Very high | 51 Ų | 51 | 37.7 Ų | 37.7 | 27% | 0.273 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -90.9 | -3.6 | 167.3 | 58.7 | -20.8 | 0 | 0 | 0 | 113.6 | H31 V227 L271 | H31-D275 WeakPolarHBondContact CB-OD1 3.48Å; H31-D275 IonicContact CD2-OD1 2.72Å; H31-D275 IonicContact CD2-OD2 3.58Å; H31-D275 IonicContact CG-OD1 3.58Å; H31-D275 VanDerWaalsContact CG-OD1 3.23Å; H31-D275 IonicContact ND1-OD1 3.29Å; V227-D275 PolarHBondContact N-O 3.04Å; L271-D275 HydrophobicContact CD2-CB 3.96Å |
| 276 | H | 98.7 | Very high | 97.6 | Very high | 13 Ų | 13 | 38.5 Ų | 38.5 | 6% | 0.06 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -110 | 149.8 | 172.2 | -69.8 | -111 | 0 | 0 | 0 | 111.5 | F28 N29 D191 T225 D236 F259 S274 | F28-H276 VanDerWaalsContact CE2-O 3.31Å; F28-H276 WeakPolarHBondContact CE2-O 3.24Å; N29-H276 HydrophobicContact CB-CB 4.06Å; D191-H276 IonicContact OD1-CE1 3.76Å; D191-H276 IonicContact OD2-CE1 2.86Å; D191-H276 PolarHBondContact OD2-CE1 3.4Å; D191-H276 VanDerWaalsContact OD2-CE1 3.3Å; D191-H276 IonicContact OD2-NE2 3.55Å; T225-H276 CarbonylContact O-C 3.56Å; T225-H276 WeakPolarHBondContact O-CA 3.5Å; D236-H276 IonicContact OD1-ND1 3.05Å; D236-H276 PolarHBondContact OD1-ND1 3.05Å; D236-H276 IonicContact OD2-CE1 3.3Å; D236-H276 IonicContact OD2-CG 3.37Å; D236-H276 IonicContact OD2-ND1 2.64Å; D236-H276 PolarHBondContact OD2-ND1 3.31Å; F259-H276 WeakPolarHBondContact CE1-O 3.35Å; S274-H276 PolarHBondContact OG-N 2.62Å |
| 277 | Y | 98.9 | Very high | 96.3 | Very high | 11 Ų | 11 | 39.1 Ų | 39.1 | 4% | 0.043 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -86.5 | 142.3 | 161.8 | -65 | -49.6 | 0 | 0 | 0 | 109.6 | T225 T226 V227 N258 F259 Q260 V279 | T225-Y277 PolarHBondContact O-N 2.88Å; T226-Y277 WeakPolarHBondContact O-CD2 3.49Å; T226-Y277 WeakPolarHBondContact O-CE2 3.34Å; V227-Y277 HydrophobicContact CB-CE1 4.25Å; V227-Y277 HydrophobicContact CG2-CD1 3.65Å; V227-Y277 HydrophobicContact CG2-CE1 3.5Å; V227-Y277 HydrophobicContact CG2-CG 4.29Å; N258-Y277 HydrophobicContact CB-CE1 4.27Å; N258-Y277 HydrophobicContact CB-CE2 4.37Å; N258-Y277 PolarHBondContact ND2-OH 2.79Å; N258-Y277 VanDerWaalsContact OD1-CE1 3.29Å; N258-Y277 WeakPolarHBondContact OD1-CE1 3.4Å; N258-Y277 VanDerWaalsContact OD1-CZ 3.28Å; N258-Y277 PolarHBondContact OD1-OH 3.45Å; F259-Y277 AromaticContact CD1-CD1 3.75Å; F259-Y277 HydrophobicContact CD1-CD1 3.75Å; F259-Y277 HydrophobicContact CD1-CE1 4.37Å; F259-Y277 AromaticContact CE1-CD1 3.68Å; F259-Y277 HydrophobicContact CE1-CD1 3.68Å; F259-Y277 HydrophobicContact CE1-CE1 4.28Å; F259-Y277 HydrophobicContact CZ-CD1 4.4Å; Q260-Y277 HydrophobicContact CB-CE1 4.08Å; Q260-Y277 PolarHBondContact OE1-OH 3.38Å; Y277-V279 PolarHBondContact O-N 3.15Å |
| 278 | P | 98.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.013 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -58.4 | 138.2 | 167.6 | -14 | 23.4 | 0 | 0 | 0 | 110.2 | A27 F28 I50 P256 F257 | A27-P278 CarbonylContact O-C 3.5Å; A27-P278 VanDerWaalsContact O-CA 3.25Å; A27-P278 WeakPolarHBondContact O-CA 3.45Å; F28-P278 HydrophobicContact CB-CB 4Å; F28-P278 HydrophobicContact CB-CG 4.25Å; F28-P278 HydrophobicContact CD1-CB 4.45Å; F28-P278 HydrophobicContact CD1-CG 3.81Å; F28-P278 HydrophobicContact CD2-CB 4.09Å; F28-P278 HydrophobicContact CD2-CG 3.65Å; F28-P278 HydrophobicContact CE1-CG 4Å; F28-P278 HydrophobicContact CE2-CG 3.87Å; F28-P278 HydrophobicContact CG-CB 3.95Å; F28-P278 HydrophobicContact CG-CG 3.64Å; F28-P278 HydrophobicContact CZ-CG 4.04Å; I50-P278 HydrophobicContact CG2-CB 4.46Å; I50-P278 HydrophobicContact CG2-CG 3.54Å; P256-P278 CarbonylContact C-O 3.6Å; P256-P278 WeakPolarHBondContact CA-O 3.49Å; F257-P278 HydrophobicContact CB-CB 4.46Å; F257-P278 HydrophobicContact CB-CG 4.48Å; F257-P278 HydrophobicContact CD1-CG 4.32Å; F257-P278 PolarHBondContact N-O 3.35Å; F257-P278 WeakPolarHBondContact O-CD 3.49Å |
| 279 | V | 98.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 133.1 | 163.6 | -69.7 | 0 | 0 | 0 | 0 | 109.2 | C26 A27 I219 T225 D236 I238 Y277 | C26-V279 CarbonylContact C-O 3.55Å; C26-V279 VanDerWaalsContact CA-O 3.27Å; C26-V279 WeakPolarHBondContact CA-O 3.32Å; A27-V279 HydrophobicContact CB-CG2 4.03Å; A27-V279 PolarHBondContact N-O 3.47Å; A27-V279 PolarHBondContact O-N 3.14Å; I219-V279 HydrophobicContact CD1-CB 4.09Å; I219-V279 HydrophobicContact CD1-CG1 4.11Å; I219-V279 HydrophobicContact CG1-CB 4.18Å; I219-V279 HydrophobicContact CG1-CG1 4.09Å; T225-V279 HydrophobicContact CG2-CG1 3.78Å; D236-V279 HydrophobicContact CB-CB 4.4Å; D236-V279 HydrophobicContact CB-CG1 3.57Å; D236-V279 HydrophobicContact CB-CG2 3.94Å; I238-V279 HydrophobicContact CD1-CB 4.11Å; I238-V279 HydrophobicContact CD1-CG2 4.07Å; I238-V279 HydrophobicContact CG1-CB 4.21Å; I238-V279 HydrophobicContact CG1-CG2 3.78Å; Y277-V279 PolarHBondContact O-N 3.15Å |
| 280 | E | 98.8 | Very high | 89.2 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 3% | 0.033 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 154.9 | -177.3 | 58.6 | 177.1 | -141.6 | 0 | 0 | 111.5 | R24 I25 R53 A254 Q255 F257 | R24-E280 HydrophobicContact CG-CB 4.27Å; R24-E280 IonicContact NE-OE1 3.93Å; R24-E280 IonicContact NE-OE2 3.78Å; I25-E280 CarbonylContact O-C 3.55Å; I25-E280 VanDerWaalsContact O-CA 3.3Å; I25-E280 WeakPolarHBondContact O-CA 3.34Å; R53-E280 IonicContact CZ-OE2 3.51Å; R53-E280 IonicContact NE-OE2 3.3Å; R53-E280 PolarHBondContact NE-OE2 3.26Å; R53-E280 VanDerWaalsContact NH2-CD 3.32Å; R53-E280 IonicContact NH2-OE1 2.77Å; R53-E280 PolarHBondContact NH2-OE1 3.26Å; R53-E280 IonicContact NH2-OE2 3.45Å; R53-E280 PolarHBondContact NH2-OE2 3.1Å; A254-E280 CarbonylContact C-O 3.49Å; A254-E280 WeakPolarHBondContact CA-O 3.34Å; Q255-E280 HydrophobicContact CG-CG 4.24Å; Q255-E280 PolarHBondContact N-O 2.91Å; Q255-E280 WeakPolarHBondContact O-CG 3.44Å; Q255-E280 PolarHBondContact O-N 2.72Å; F257-E280 HydrophobicContact CB-CG 4.36Å |
| 281 | V | 98.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 146.9 | 173.2 | 64.9 | 0 | 0 | 0 | 0 | 110.4 | R24 I25 M187 L218 I238 V249 A254 | R24-V281 WeakPolarHBondContact CA-O 3.16Å; I25-V281 HydrophobicContact CB-CG1 4.12Å; I25-V281 PolarHBondContact N-O 3.1Å; I25-V281 PolarHBondContact O-N 3.25Å; M187-V281 HydrophobicContact CE-CG1 3.73Å; M187-V281 HydrophobicContact SD-CG1 4.31Å; L218-V281 HydrophobicContact CD1-CG2 4.02Å; I238-V281 HydrophobicContact CD1-CB 3.9Å; I238-V281 HydrophobicContact CD1-CG1 3.88Å; I238-V281 HydrophobicContact CG2-CG1 4.2Å; V249-V281 HydrophobicContact CG1-CG2 3.62Å; V249-V281 HydrophobicContact CG2-CG2 4.32Å; A254-V281 HydrophobicContact CB-CB 4.19Å; A254-V281 HydrophobicContact CB-CG2 3.96Å |
| 282 | L | 98.6 | Very high | 83.2 | Confident | 15 Ų | 15 | 57.8 Ų | 57.8 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 136.6 | 175 | -62.2 | 177.7 | 0 | 0 | 0 | 111.8 | E22 F23 R24 V250 S253 | E22-L282 HydrophobicContact CB-CD1 4.11Å; E22-L282 HydrophobicContact CB-CD2 3.77Å; E22-L282 HydrophobicContact CB-CG 4.46Å; E22-L282 VanDerWaalsContact CD-CD1 3.45Å; E22-L282 HydrophobicContact CG-CD1 4.22Å; E22-L282 WeakPolarHBondContact OE2-CD1 3.34Å; F23-L282 CarbonylContact O-C 3.57Å; F23-L282 WeakPolarHBondContact O-CA 3.39Å; R24-L282 HydrophobicContact CB-CD2 3.59Å; R24-L282 HydrophobicContact CG-CD2 3.89Å; V250-L282 HydrophobicContact CB-CB 3.9Å; V250-L282 HydrophobicContact CG2-CB 3.75Å; V250-L282 PolarHBondContact N-O 3.38Å; S253-L282 PolarHBondContact OG-N 3.28Å; S253-L282 VanDerWaalsContact OG-N 3.08Å; S253-L282 PolarHBondContact OG-O 3.09Å |
| 283 | L | 98.1 | Very high | 80.5 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 139.3 | 168 | -55.5 | -171.9 | 0 | 0 | 0 | 110.4 | F23 I25 T146 I148 F151 M187 F245 A248 V249 V285 | F23-L283 HydrophobicContact CB-CB 4.33Å; F23-L283 HydrophobicContact CD1-CB 4.11Å; F23-L283 HydrophobicContact CD1-CD1 3.9Å; F23-L283 HydrophobicContact CD1-CG 4.07Å; F23-L283 HydrophobicContact CE1-CD1 4.13Å; F23-L283 PolarHBondContact O-N 2.93Å; I25-L283 HydrophobicContact CD1-CD1 3.68Å; I25-L283 HydrophobicContact CD1-CG 4.09Å; T146-L283 HydrophobicContact CG2-CB 4.32Å; T146-L283 HydrophobicContact CG2-CD1 4.35Å; I148-L283 HydrophobicContact CG2-CD1 4Å; F151-L283 HydrophobicContact CD1-CD1 4.23Å; F151-L283 HydrophobicContact CE1-CD1 4.03Å; M187-L283 HydrophobicContact CE-CD2 4.49Å; F245-L283 HydrophobicContact CE1-CD1 4.44Å; F245-L283 HydrophobicContact CE1-CD2 3.84Å; A248-L283 WeakPolarHBondContact O-CA 3.44Å; V249-L283 HydrophobicContact CG2-CD2 4.14Å; L283-V285 PolarHBondContact O-N 3.12Å |
| 284 | K | 96.3 | Very high | 77.4 | Confident | 83 Ų | 83 | 64 Ų | 64 | 36% | 0.361 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 131.9 | 173.3 | -68.5 | 172.6 | -178.2 | 163.3 | 0 | 109.4 | S147 R247 A248 V249 V250 | S147-K284 WeakPolarHBondContact CB-O 3.44Å; S147-K284 PolarHBondContact N-O 2.87Å; S147-K284 PolarHBondContact OG-O 3.34Å; S147-K284 VanDerWaalsContact OG-O 3.06Å; R247-K284 WeakPolarHBondContact O-CD 3.43Å; R247-K284 WeakPolarHBondContact O-CE 3.36Å; R247-K284 PolarHBondContact O-NZ 3.29Å; A248-K284 WeakPolarHBondContact O-CB 3.45Å; A248-K284 WeakPolarHBondContact O-CG 3.38Å; A248-K284 PolarHBondContact O-N 3.44Å; V249-K284 WeakPolarHBondContact O-CE 3.27Å; V250-K284 HydrophobicContact CG2-CG 3.87Å |
| 285 | V | 94.1 | Very high | 74.5 | Confident | 45 Ų | 45 | 70.2 Ų | 70.2 | 27% | 0.273 | 39% | 0.392 | S | S | . | . | B | Isolated β-bridge | trans | -98 | 146.1 | 175 | -66.1 | 0 | 0 | 0 | 0 | 111.8 | S21 F23 K145 L283 S287 | S21-V285 WeakPolarHBondContact O-CG1 3.31Å; F23-V285 HydrophobicContact CB-CG1 3.88Å; K145-V285 CarbonylContact O-C 3.59Å; K145-V285 WeakPolarHBondContact O-CA 3.12Å; K145-V285 VanDerWaalsContact O-CB 3.3Å; K145-V285 WeakPolarHBondContact O-CB 3.3Å; L283-V285 PolarHBondContact O-N 3.12Å; V285-S287 PolarHBondContact O-N 3.16Å |
| 286 | V | 87.4 | Confident | 71.4 | Confident | 53 Ų | 53 | 72.8 Ų | 72.8 | 32% | 0.321 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 119.6 | 173.6 | -68.7 | 0 | 0 | 0 | 0 | 108.9 | K145 F288 | K145-V286 WeakPolarHBondContact O-CG2 3.3Å; K145-V286 PolarHBondContact O-N 3.16Å; V286-F288 HydrophobicContact CG2-CD2 4.45Å; V286-F288 HydrophobicContact CG2-CE2 3.8Å; V286-F288 HydrophobicContact CG2-CZ 3.97Å; V286-F288 PolarHBondContact O-N 3.29Å |
| 287 | S | 71.3 | Confident | 68.7 | Low | 89 Ų | 89 | 82.2 Ų | 82.2 | 62% | 0.622 | 46% | 0.455 | S | S | * | . | trans | -73.7 | 109 | 170.6 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | V285 K289 | V285-S287 PolarHBondContact O-N 3.16Å; S287-K289 VanDerWaalsContact C-N 3.32Å; S287-K289 PolarHBondContact O-N 2.73Å | ||
| 288 | F | 57.3 | Low | 65.9 | Low | 157 Ų | 157 | 91.9 Ų | 91.9 | 69% | 0.689 | 49% | 0.492 | S | S | * | . | trans | -73.7 | 93.6 | 164 | -67.3 | -80.2 | 0 | 0 | 0 | 107.1 | V286 A290 | V286-F288 HydrophobicContact CG2-CD2 4.45Å; V286-F288 HydrophobicContact CG2-CE2 3.8Å; V286-F288 HydrophobicContact CG2-CZ 3.97Å; V286-F288 PolarHBondContact O-N 3.29Å; F288-A290 PolarHBondContact O-N 3.11Å | ||
| 289 | K | 46.4 | Very low | 62.8 | Low | 183 Ų | 183 | 97.9 Ų | 97.9 | 80% | 0.796 | 52% | 0.524 | S | S | * | . | trans | -58.5 | 112.4 | 159.6 | -76.5 | -172 | 178.6 | -177.5 | 0 | 105.9 | S287 F291 | S287-K289 VanDerWaalsContact C-N 3.32Å; S287-K289 PolarHBondContact O-N 2.73Å; K289-F291 PolarHBondContact O-N 3.37Å | ||
| 290 | A | 40.1 | Very low | 59.9 | Low | 82 Ų | 82 | 103.5 Ų | 103.5 | 68% | 0.678 | 56% | 0.563 | S | S | * | * | trans | -54 | 110.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | F288 N292 | F288-A290 PolarHBondContact O-N 3.11Å; A290-N292 PolarHBondContact O-N 2.95Å | ||
| 291 | F | 36.8 | Very low | 56.9 | Low | 202 Ų | 202 | 112.5 Ų | 112.5 | 89% | 0.886 | 60% | 0.602 | S | S | * | * | trans | -67.1 | 84.7 | 164.2 | -105.4 | -91.5 | 0 | 0 | 0 | 106.1 | K289 G293 | K289-F291 PolarHBondContact O-N 3.37Å; F291-G293 PolarHBondContact O-N 3.1Å | ||
| 292 | N | 35.2 | Very low | 54.2 | Low | 149 Ų | 149 | 118.7 Ų | 118.7 | 80% | 0.797 | 63% | 0.634 | S | S | * | * | trans | -71.1 | 80.3 | 158.8 | -80.6 | -8.9 | 0 | 0 | 0 | 106.6 | A290 V294 | A290-N292 PolarHBondContact O-N 2.95Å; N292-V294 PolarHBondContact O-N 3.42Å; N292-V294 VanDerWaalsContact O-N 3.09Å | ||
| 293 | G | 39.8 | Very low | 51.3 | Low | 68 Ų | 68 | 123.5 Ų | 123.5 | 70% | 0.701 | 66% | 0.664 | S | S | * | * | trans | -67 | 98.7 | 163 | 0 | 0 | 0 | 0 | 0 | 108.7 | F291 | F291-G293 PolarHBondContact O-N 3.1Š| ||
| 294 | V | 34 | Very low | 48.5 | Very low | 132 Ų | 132 | 132.4 Ų | 132.4 | 80% | 0.8 | 70% | 0.703 | S | S | * | * | trans | -129.9 | 119.8 | 147.7 | -178.9 | 0 | 0 | 0 | 0 | 107.6 | N292 | N292-V294 PolarHBondContact O-N 3.42Å; N292-V294 VanDerWaalsContact O-N 3.09Å | ||
| 295 | T | 38.6 | Very low | 45.7 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 81% | 0.81 | 72% | 0.721 | S | S | * | * | trans | -48.9 | 130.5 | 169.9 | 38.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 296 | S | 31.7 | Very low | 43.1 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | -153.2 | 90 | 140.2 | -170.5 | 0 | 0 | 0 | 0 | 110.7 | R298 | S296-R298 VanDerWaalsContact C-N 3.28Å; S296-R298 PolarHBondContact O-N 3.38Å; S296-R298 VanDerWaalsContact O-N 3.12Å | ||
| 297 | F | 43.9 | Very low | 40.8 | Very low | 211 Ų | 211 | 144.8 Ų | 144.8 | 93% | 0.925 | 76% | 0.763 | S | S | * | * | trans | -68.7 | 90.8 | 151.9 | -91.5 | -92.9 | 0 | 0 | 0 | 107.7 | ||||
| 298 | R | 38.5 | Very low | 39.4 | Very low | 214 Ų | 214 | 146 Ų | 146 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | 164.3 | 103.6 | 152.9 | -98.8 | 172.9 | 167.9 | -153.4 | -3.2 | 108.5 | S296 | S296-R298 VanDerWaalsContact C-N 3.28Å; S296-R298 PolarHBondContact O-N 3.38Å; S296-R298 VanDerWaalsContact O-N 3.12Å | ||
| 299 | N | 35.1 | Very low | 38.8 | Very low | 129 Ų | 129 | 145.8 Ų | 145.8 | 69% | 0.69 | 78% | 0.775 | S | S | * | * | trans | 170.9 | 28.9 | 137 | -87.5 | -8.4 | 0 | 0 | 0 | 114.5 | F301 | N299-F301 VanDerWaalsContact C-N 3.27Å; N299-F301 PolarHBondContact O-N 2.77Å | ||
| 300 | S | 36.4 | Very low | 38.7 | Very low | 117 Ų | 117 | 144.2 Ų | 144.2 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 14.5 | 168.1 | -57.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 301 | F | 37.6 | Very low | 38.9 | Very low | 197 Ų | 197 | 147.5 Ų | 147.5 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.9 | 8.1 | -177.1 | -94.4 | -76.4 | 0 | 0 | 0 | 116.3 | N299 | N299-F301 VanDerWaalsContact C-N 3.27Å; N299-F301 PolarHBondContact O-N 2.77Å |
| 302 | I | 41.2 | Very low | 39.3 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -118 | -12.7 | -179.9 | -62.5 | 179.8 | 0 | 0 | 0 | 113.9 | ||
| 303 | V | 38.5 | Very low | 39.8 | Very low | 117 Ų | 117 | 145 Ų | 145 | 71% | 0.709 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -11.4 | 178.8 | -172.5 | 0 | 0 | 0 | 0 | 113.1 | ||
| 304 | F | 38.2 | Very low | 40.1 | Very low | 188 Ų | 188 | 148.5 Ų | 148.5 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | 6.9 | 178.9 | -113.1 | -89 | 0 | 0 | 0 | 115.1 | ||
| 305 | H | 37.4 | Very low | 40.5 | Very low | 160 Ų | 160 | 150.4 Ų | 150.4 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -117.9 | 2.4 | -179.5 | -121.9 | 48.4 | 0 | 0 | 0 | 115.9 | ||
| 306 | C | 40 | Very low | 40.6 | Very low | 104 Ų | 104 | 153.3 Ų | 153.3 | 70% | 0.703 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -105.1 | -0.5 | 173.4 | -82.6 | 0 | 0 | 0 | 0 | 115 | ||
| 307 | F | 39.1 | Very low | 41.1 | Very low | 177 Ų | 177 | 155.8 Ų | 155.8 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -104.9 | -1.8 | 179.8 | -98.3 | -85 | 0 | 0 | 0 | 115.4 | ||
| 308 | C | 42.1 | Very low | 40.9 | Very low | 114 Ų | 114 | 152.9 Ų | 152.9 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -105.5 | 10.6 | 178.8 | -82.4 | 0 | 0 | 0 | 0 | 115.5 | ||
| 309 | L | 43.4 | Very low | 41 | Very low | 152 Ų | 152 | 149.5 Ų | 149.5 | 80% | 0.796 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -117.5 | 6.3 | -179.6 | -95 | 155 | 0 | 0 | 0 | 115.3 | ||
| 310 | I | 44.3 | Very low | 41.4 | Very low | 150 Ų | 150 | 150.7 Ų | 150.7 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -115.3 | 9 | 178.6 | -56.7 | 178.6 | 0 | 0 | 0 | 112.5 | ||
| 311 | I | 45.3 | Very low | 41.7 | Very low | 151 Ų | 151 | 152.8 Ų | 152.8 | 77% | 0.774 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -118.9 | 44.8 | 173.9 | -45.5 | 179.8 | 0 | 0 | 0 | 110.8 | ||
| 312 | C | 45 | Very low | 42 | Very low | 114 Ų | 114 | 149.9 Ų | 149.9 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -136.1 | 14.2 | 168.1 | -88 | 0 | 0 | 0 | 0 | 114 | ||
| 313 | H | 45.4 | Very low | 42 | Very low | 184 Ų | 184 | 151.4 Ų | 151.4 | 85% | 0.852 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -138.9 | 57.9 | 172.6 | -96.1 | -7.1 | 0 | 0 | 0 | 112.3 | ||
| 314 | V | 45.8 | Very low | 42.3 | Very low | 143 Ų | 143 | 154 Ų | 154 | 87% | 0.867 | 84% | 0.838 | S | S | * | * | trans | -143.8 | 64.4 | 148.6 | -169.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 315 | L | 43.9 | Very low | 42.6 | Very low | 171 Ų | 171 | 151.2 Ų | 151.2 | 90% | 0.895 | 84% | 0.839 | S | S | * | * | trans | -139.1 | 79.2 | 158 | -90.4 | 172.3 | 0 | 0 | 0 | 106.2 | ||||
| 316 | S | 39.9 | Very low | 43.1 | Very low | 194 Ų | 194 | 150.4 Ų | 150.4 | 100% | 1.357 | 85% | 0.848 | S | S | * | * | trans | -170 | 0 | 154.6 | -73.2 | 0 | 0 | 0 | 0 | 107.4 |
Retrieved 316 of 316 residues in 679.7 ms
(Link to these results)