| 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 | 41.4 | Very low | 46.6 | Very low | 244 Ų | 244 | 168.7 Ų | 168.7 | 100% | 1.202 | 85% | 0.851 | S | S | * | * | 0 | 115.6 | 0 | -78.2 | 173.6 | -104.2 | 0 | 0 | 107.9 | |||||
| 2 | R | 41.6 | Very low | 47 | Very low | 241 Ų | 241 | 167 Ų | 167 | 91% | 0.909 | 85% | 0.845 | S | S | * | * | trans | -60 | 133 | 175.6 | -85.4 | 167.7 | 163 | 166 | -6.2 | 109.1 | ||||
| 3 | N | 38.3 | Very low | 47.7 | Very low | 146 Ų | 146 | 162.4 Ų | 162.4 | 78% | 0.781 | 84% | 0.838 | S | S | * | * | trans | -139.9 | 117.1 | 154.7 | -129.9 | 1.3 | 0 | 0 | 0 | 109.9 | ||||
| 4 | S | 46.1 | Very low | 48.2 | Very low | 100 Ų | 100 | 159.1 Ų | 159.1 | 70% | 0.699 | 83% | 0.828 | S | S | * | * | trans | -94.1 | 106 | -166.1 | -42.5 | 0 | 0 | 0 | 0 | 108.9 | R6 | S4-R6 PolarHBondContact O-N 3.46Š| ||
| 5 | Y | 47.2 | Very low | 48.7 | Very low | 205 Ų | 205 | 155.3 Ų | 155.3 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -84 | 106.3 | 169.2 | -80.4 | -84.8 | 0 | 0 | 0 | 109.3 | F7 | Y5-F7 PolarHBondContact O-N 2.91Š| ||
| 6 | R | 46.4 | Very low | 49.2 | Very low | 235 Ų | 235 | 152.5 Ų | 152.5 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | -71.4 | 110.6 | 170.4 | -70.6 | -178 | 175.1 | -172.3 | -1.5 | 108.4 | S4 L8 | S4-R6 PolarHBondContact O-N 3.46Å; R6-L8 PolarHBondContact O-N 3.44Å | ||
| 7 | F | 45.3 | Very low | 49.2 | Very low | 203 Ų | 203 | 153.8 Ų | 153.8 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | -77.4 | 109.7 | 164.3 | -88.7 | -91.6 | 0 | 0 | 0 | 108.6 | Y5 A9 | Y5-F7 PolarHBondContact O-N 2.91Å; F7-A9 PolarHBondContact O-N 3.34Å | ||
| 8 | L | 49.7 | Very low | 49.1 | Very low | 171 Ų | 171 | 153.5 Ų | 153.5 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | trans | -76 | 98.6 | 164.3 | -90.3 | 138.7 | 0 | 0 | 0 | 107.7 | R6 S10 | R6-L8 PolarHBondContact O-N 3.44Å; L8-S10 PolarHBondContact O-N 2.96Å | ||
| 9 | A | 49.7 | Very low | 49 | Very low | 96 Ų | 96 | 151.3 Ų | 151.3 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | trans | -75.2 | 103.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | F7 S11 | F7-A9 PolarHBondContact O-N 3.34Å; A9-S11 PolarHBondContact O-N 3.12Å | ||
| 10 | S | 51.5 | Low | 49 | Very low | 102 Ų | 102 | 151.6 Ų | 151.6 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | trans | -76.2 | 101.4 | 168.9 | 168.9 | 0 | 0 | 0 | 0 | 108.9 | L8 L12 | L8-S10 PolarHBondContact O-N 2.96Å; S10-L12 PolarHBondContact O-N 3.14Å | ||
| 11 | S | 55.3 | Low | 49.2 | Very low | 113 Ų | 113 | 150.7 Ų | 150.7 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -80.5 | 100.5 | 169.5 | 51.8 | 0 | 0 | 0 | 0 | 109.9 | A9 S13 | A9-S11 PolarHBondContact O-N 3.12Å; S11-S13 PolarHBondContact O-N 3.22Å; S11-S13 VanDerWaalsContact O-N 3.14Å | ||
| 12 | L | 51.4 | Low | 49.4 | Very low | 148 Ų | 148 | 144.1 Ų | 144.1 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | trans | -71.4 | 103.4 | 161.4 | -103.1 | 87.6 | 0 | 0 | 0 | 107.8 | S10 V14 | S10-L12 PolarHBondContact O-N 3.14Å; L12-V14 PolarHBondContact O-N 3.39Å; L12-V14 VanDerWaalsContact O-N 3.17Å | ||
| 13 | S | 55.8 | Low | 49.5 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -74.2 | 100.7 | 169.5 | -160.1 | 0 | 0 | 0 | 0 | 108.4 | S11 V15 | S11-S13 PolarHBondContact O-N 3.22Å; S11-S13 VanDerWaalsContact O-N 3.14Å; S13-V15 PolarHBondContact O-N 2.82Å; S13-V15 VanDerWaalsContact O-N 3.16Å | ||
| 14 | V | 55.5 | Low | 49.7 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | trans | -76.9 | 97.9 | 171.3 | -178.9 | 0 | 0 | 0 | 0 | 107.2 | L12 V16 | L12-V14 PolarHBondContact O-N 3.39Å; L12-V14 VanDerWaalsContact O-N 3.17Å; V14-V16 HydrophobicContact CG1-CG2 4.1Å; V14-V16 PolarHBondContact O-N 3.28Å; V14-V16 VanDerWaalsContact O-N 3.08Å | ||
| 15 | V | 56.2 | Low | 49.5 | Very low | 102 Ų | 102 | 140.7 Ų | 140.7 | 62% | 0.618 | 76% | 0.756 | S | S | * | * | trans | -74.9 | 96.3 | 170.5 | -175.9 | 0 | 0 | 0 | 0 | 107.3 | S13 F17 | S13-V15 PolarHBondContact O-N 2.82Å; S13-V15 VanDerWaalsContact O-N 3.16Å; V15-F17 HydrophobicContact CG1-CD2 3.79Å; V15-F17 HydrophobicContact CG1-CE2 3.81Å; V15-F17 PolarHBondContact O-N 3.1Å | ||
| 16 | V | 55.3 | Low | 49.1 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 67% | 0.667 | 75% | 0.749 | S | S | * | * | trans | -71.4 | 96.9 | 167 | -179.3 | 0 | 0 | 0 | 0 | 106.7 | V14 L18 | V14-V16 HydrophobicContact CG1-CG2 4.1Å; V14-V16 PolarHBondContact O-N 3.28Å; V14-V16 VanDerWaalsContact O-N 3.08Å; V16-L18 VanDerWaalsContact C-N 3.26Å; V16-L18 HydrophobicContact CG1-CG 4.46Å; V16-L18 PolarHBondContact O-N 2.66Å | ||
| 17 | F | 50 | Low | 48.8 | Very low | 175 Ų | 175 | 130.5 Ų | 130.5 | 77% | 0.768 | 74% | 0.735 | S | S | * | * | trans | -66.4 | 95.7 | 161.5 | -92.9 | -88 | 0 | 0 | 0 | 106.9 | V15 V19 | V15-F17 HydrophobicContact CG1-CD2 3.79Å; V15-F17 HydrophobicContact CG1-CE2 3.81Å; V15-F17 PolarHBondContact O-N 3.1Å; F17-V19 PolarHBondContact O-N 2.97Å | ||
| 18 | L | 47.8 | Very low | 48.6 | Very low | 148 Ų | 148 | 121.8 Ų | 121.8 | 78% | 0.775 | 70% | 0.697 | S | S | * | * | trans | -61.4 | 91.7 | 157.3 | -87.5 | 154.7 | 0 | 0 | 0 | 106 | V16 L20 | V16-L18 VanDerWaalsContact C-N 3.26Å; V16-L18 HydrophobicContact CG1-CG 4.46Å; V16-L18 PolarHBondContact O-N 2.66Å; L18-L20 PolarHBondContact O-N 3.24Å | ||
| 19 | V | 47.3 | Very low | 48.9 | Very low | 112 Ų | 112 | 113.7 Ų | 113.7 | 68% | 0.679 | 66% | 0.655 | S | S | * | * | trans | -63.4 | 93.3 | 163.2 | -178.7 | 0 | 0 | 0 | 0 | 104.7 | F17 I21 | F17-V19 PolarHBondContact O-N 2.97Å; V19-I21 HydrophobicContact CG1-CG1 3.97Å; V19-I21 PolarHBondContact O-N 2.78Å | ||
| 20 | L | 49.1 | Very low | 50 | Low | 157 Ų | 157 | 110 Ų | 110 | 82% | 0.822 | 62% | 0.622 | S | S | * | * | trans | -62.8 | 89.2 | 159 | -78.1 | 159.1 | 0 | 0 | 0 | 104.8 | L18 P22 | L18-L20 PolarHBondContact O-N 3.24Å; L20-P22 WeakPolarHBondContact O-CD 3.47Å; L20-P22 VanDerWaalsContact O-N 3.16Å | ||
| 21 | I | 52.9 | Low | 51.4 | Low | 133 Ų | 133 | 105.9 Ų | 105.9 | 68% | 0.682 | 60% | 0.595 | S | S | * | * | trans | -60.6 | 113.2 | 159.1 | -55.4 | 177.6 | 0 | 0 | 0 | 103 | V19 E23 | V19-I21 HydrophobicContact CG1-CG1 3.97Å; V19-I21 PolarHBondContact O-N 2.78Å; I21-E23 PolarHBondContact O-N 3.46Å | ||
| 22 | P | 44.7 | Very low | 52.9 | Low | 105 Ų | 105 | 100.6 Ų | 100.6 | 68% | 0.682 | 56% | 0.559 | S | S | * | * | trans | -61.8 | 112.5 | 166.7 | 26.1 | -25.7 | 0 | 0 | 0 | 104.5 | L20 D24 | L20-P22 WeakPolarHBondContact O-CD 3.47Å; L20-P22 VanDerWaalsContact O-N 3.16Å; P22-D24 VanDerWaalsContact C-N 3.27Å; P22-D24 PolarHBondContact O-N 3.28Å | ||
| 23 | E | 45 | Very low | 54.8 | Low | 167 Ų | 167 | 98.7 Ų | 98.7 | 78% | 0.78 | 55% | 0.549 | S | S | * | . | trans | -57.7 | 106.5 | 160.4 | -74.9 | -167.7 | 161.7 | 0 | 0 | 104.8 | I21 V25 | I21-E23 PolarHBondContact O-N 3.46Å; E23-V25 HydrophobicContact CB-CG2 4.23Å; E23-V25 WeakPolarHBondContact O-CG2 3.49Å; E23-V25 PolarHBondContact O-N 2.87Å | ||
| 24 | D | 42.1 | Very low | 56.7 | Low | 147 Ų | 147 | 98 Ų | 98 | 79% | 0.786 | 53% | 0.534 | S | S | * | . | trans | -59.7 | 89.4 | 164.3 | -107.9 | -25.1 | 0 | 0 | 0 | 105.8 | P22 C26 | P22-D24 VanDerWaalsContact C-N 3.27Å; P22-D24 PolarHBondContact O-N 3.28Å; D24-C26 PolarHBondContact O-N 3.16Å | ||
| 25 | V | 41.7 | Very low | 58.7 | Low | 102 Ų | 102 | 93 Ų | 93 | 62% | 0.618 | 50% | 0.504 | S | S | * | . | trans | -76 | 78.3 | 173.9 | -172.3 | 0 | 0 | 0 | 0 | 106.9 | E23 E27 | E23-V25 HydrophobicContact CB-CG2 4.23Å; E23-V25 WeakPolarHBondContact O-CG2 3.49Å; E23-V25 PolarHBondContact O-N 2.87Å; V25-E27 HydrophobicContact CG1-CB 4.37Å; V25-E27 HydrophobicContact CG1-CG 3.99Å; V25-E27 PolarHBondContact O-N 3.42Å | ||
| 26 | C | 39.3 | Very low | 60.7 | Low | 95 Ų | 95 | 93.2 Ų | 93.2 | 64% | 0.642 | 51% | 0.505 | S | S | * | . | trans | -82 | 85.1 | 166.1 | -67.7 | 0 | 0 | 0 | 0 | 108.6 | D24 | D24-C26 PolarHBondContact O-N 3.16Š| ||
| 27 | E | 39.8 | Very low | 62.7 | Low | 130 Ų | 130 | 91.3 Ų | 91.3 | 61% | 0.607 | 50% | 0.495 | S | S | * | . | trans | -111.5 | 141.1 | 173 | -78.5 | -168.7 | 173.7 | 0 | 0 | 112.4 | V25 I156 | V25-E27 HydrophobicContact CG1-CB 4.37Å; V25-E27 HydrophobicContact CG1-CG 3.99Å; V25-E27 PolarHBondContact O-N 3.42Å; E27-I156 WeakPolarHBondContact O-CD1 3.28Å | ||
| 28 | E | 40.3 | Very low | 65 | Low | 20 Ų | 20 | 84.3 Ų | 84.3 | 9% | 0.093 | 47% | 0.465 | C | S | . | . | cis | 159.4 | 149.2 | -22.3 | -99.3 | -163.3 | 146.4 | 0 | 0 | 107.2 | I30 G31 G32 N33 I156 | E28-I30 PolarHBondContact O-N 3.39Å; E28-I30 VanDerWaalsContact O-N 3.11Å; E28-G31 WeakPolarHBondContact OE2-CA 3.31Å; E28-G32 CarbonylContact C-O 3.58Å; E28-G32 WeakPolarHBondContact CA-O 3.31Å; E28-G32 WeakPolarHBondContact CB-O 3.13Å; E28-G32 VanDerWaalsContact CD-O 3.3Å; E28-G32 VanDerWaalsContact CG-C 3.42Å; E28-G32 WeakPolarHBondContact CG-O 3.41Å; E28-G32 WeakPolarHBondContact OE1-CA 3.28Å; E28-G32 PolarHBondContact OE2-N 3.32Å; E28-N33 WeakPolarHBondContact OE1-CA 3.48Å; E28-N33 PolarHBondContact OE1-N 3.24Å; E28-N33 VanDerWaalsContact OE1-N 3.14Å; E28-N33 PolarHBondContact OE1-ND2 3.29Å; E28-N33 PolarHBondContact OE1-OD1 3.39Å; E28-I156 VanDerWaalsContact C-CB 3.48Å; E28-I156 CarbonylContact O-C 3.49Å; E28-I156 WeakPolarHBondContact O-CA 3.16Å; E28-I156 WeakPolarHBondContact O-CB 3.48Å; E28-I156 VanDerWaalsContact O-CG2 3.26Å; E28-I156 WeakPolarHBondContact O-CG2 3.11Å | ||
| 29 | I | 55.8 | Low | 67.4 | Low | 1 Ų | 1 | 79.2 Ų | 79.2 | 1% | 0.005 | 44% | 0.442 | C | S | . | . | B | Isolated β-bridge | trans | -50 | 127.8 | 155.4 | -86.8 | -86.7 | 0 | 0 | 0 | 103.6 | G31 G32 R167 V169 D206 D211 | I29-G31 CarbonylContact O-C 3.44Å; I29-G31 PolarHBondContact O-N 2.85Å; I29-G32 PolarHBondContact N-O 3.14Å; I29-G32 VanDerWaalsContact N-O 3.11Å; I29-G32 VanDerWaalsContact O-CA 3.32Å; I29-G32 WeakPolarHBondContact O-CA 3.4Å; I29-G32 PolarHBondContact O-N 3.16Å; I29-R167 HydrophobicContact CB-CB 3.97Å; I29-R167 HydrophobicContact CG1-CB 3.4Å; I29-R167 HydrophobicContact CG1-CG 4.24Å; I29-R167 VanDerWaalsContact N-CD 3.32Å; I29-V169 HydrophobicContact CG2-CB 3.94Å; I29-V169 HydrophobicContact CG2-CG1 3.67Å; I29-D206 WeakPolarHBondContact CG2-O 3.27Å; I29-D211 VanDerWaalsContact CD1-OD1 3.25Å; I29-D211 WeakPolarHBondContact CD1-OD1 3.37Å; I29-D211 WeakPolarHBondContact CD1-OD2 3.43Å |
| 30 | I | 73.5 | Confident | 69.9 | Low | 20 Ų | 20 | 77.1 Ų | 77.1 | 10% | 0.103 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -40.6 | 105.9 | -157.5 | -57.4 | -166.8 | 0 | 0 | 0 | 112.2 | E28 G204 K205 D206 C234 | E28-I30 PolarHBondContact O-N 3.39Å; E28-I30 VanDerWaalsContact O-N 3.11Å; I30-G204 CarbonylContact C-O 3.59Å; I30-K205 WeakPolarHBondContact O-CA 3.45Å; I30-D206 PolarHBondContact O-N 2.77Å; I30-D206 VanDerWaalsContact O-N 3.09Å; I30-C234 VanDerWaalsContact CD1-C 3.5Å; I30-C234 HydrophobicContact CD1-CB 3.27Å; I30-C234 WeakPolarHBondContact CD1-O 3.36Å; I30-C234 HydrophobicContact CG1-CB 4.35Å |
| 31 | G | 79.9 | Confident | 72.2 | Confident | 15 Ų | 15 | 71 Ų | 71 | 16% | 0.155 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | 20.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | E28 I29 V169 G204 | E28-G31 WeakPolarHBondContact OE2-CA 3.31Å; I29-G31 CarbonylContact O-C 3.44Å; I29-G31 PolarHBondContact O-N 2.85Å; G31-V169 WeakPolarHBondContact O-CG2 3.2Å; G31-G204 WeakPolarHBondContact CA-O 3.34Å; G31-G204 PolarHBondContact N-O 2.77Å |
| 32 | G | 86.8 | Confident | 74.4 | Confident | 2 Ų | 2 | 65.9 Ų | 65.9 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -137.8 | 143.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | E28 I29 R167 E168 | E28-G32 CarbonylContact C-O 3.58Å; E28-G32 WeakPolarHBondContact CA-O 3.31Å; E28-G32 WeakPolarHBondContact CB-O 3.13Å; E28-G32 VanDerWaalsContact CD-O 3.3Å; E28-G32 VanDerWaalsContact CG-C 3.42Å; E28-G32 WeakPolarHBondContact CG-O 3.41Å; E28-G32 WeakPolarHBondContact OE1-CA 3.28Å; E28-G32 PolarHBondContact OE2-N 3.32Å; I29-G32 PolarHBondContact N-O 3.14Å; I29-G32 VanDerWaalsContact N-O 3.11Å; I29-G32 VanDerWaalsContact O-CA 3.32Å; I29-G32 WeakPolarHBondContact O-CA 3.4Å; I29-G32 PolarHBondContact O-N 3.16Å; G32-R167 PolarHBondContact O-NE 3.25Å; G32-R167 VanDerWaalsContact O-NE 3.1Å; G32-E168 CarbonylContact C-O 3.38Å; G32-E168 VanDerWaalsContact C-O 3.25Å; G32-E168 WeakPolarHBondContact CA-O 3.42Å |
| 33 | N | 91.9 | Very high | 77 | Confident | 107 Ų | 107 | 61.1 Ų | 61.1 | 57% | 0.572 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 160.7 | -165.3 | -71.8 | -101.5 | 0 | 0 | 0 | 113.5 | E28 V35 R167 E168 | E28-N33 WeakPolarHBondContact OE1-CA 3.48Å; E28-N33 PolarHBondContact OE1-N 3.24Å; E28-N33 VanDerWaalsContact OE1-N 3.14Å; E28-N33 PolarHBondContact OE1-ND2 3.29Å; E28-N33 PolarHBondContact OE1-OD1 3.39Å; N33-V35 PolarHBondContact O-N 3.37Å; N33-R167 CarbonylContact O-C 3.58Å; N33-R167 WeakPolarHBondContact O-CA 3.42Å; N33-R167 VanDerWaalsContact O-CB 3.31Å; N33-R167 WeakPolarHBondContact O-CB 3.23Å; N33-E168 PolarHBondContact N-O 3.11Å; N33-E168 PolarHBondContact O-N 2.86Å |
| 34 | E | 95.4 | Very high | 79.6 | Confident | 92 Ų | 92 | 53.2 Ų | 53.2 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 131.9 | 165.4 | 179.1 | 167.3 | 159.2 | 0 | 0 | 109.6 | H83 T165 R167 | E34-H83 IonicContact OE1-CD2 2.79Å; E34-H83 IonicContact OE1-CE1 3.26Å; E34-H83 IonicContact OE1-NE2 3.52Å; E34-H83 PolarHBondContact OE1-NE2 2.93Å; E34-T165 VanDerWaalsContact CD-OG1 3.25Å; E34-T165 PolarHBondContact OE2-OG1 2.76Å; E34-R167 VanDerWaalsContact N-CZ 3.27Å; E34-R167 VanDerWaalsContact N-NH2 3.17Å |
| 35 | V | 96.9 | Very high | 82.3 | Confident | 12 Ų | 12 | 46.2 Ų | 46.2 | 7% | 0.073 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 154.9 | 176.3 | -57 | 0 | 0 | 0 | 0 | 110.2 | N33 H83 L166 E168 | N33-V35 PolarHBondContact O-N 3.37Å; V35-H83 PolarHBondContact O-CE1 2.95Å; V35-L166 HydrophobicContact CG2-CB 3.9Å; V35-L166 HydrophobicContact CG2-CD2 3.78Å; V35-L166 HydrophobicContact CG2-CG 3.7Å; V35-L166 WeakPolarHBondContact CG2-O 3.4Å; V35-L166 PolarHBondContact N-O 3.27Å; V35-L166 VanDerWaalsContact N-O 3.08Å; V35-E168 HydrophobicContact CG1-CB 3.43Å; V35-E168 VanDerWaalsContact CG1-CB 3.43Å |
| 36 | T | 98.3 | Very high | 85 | Confident | 107 Ų | 107 | 41.4 Ų | 41.4 | 66% | 0.656 | 23% | 0.229 | S | C | * | . | P | Polyproline II helix | trans | -54.7 | 132.5 | 166.6 | -53.6 | 0 | 0 | 0 | 0 | 109.2 | H38 S39 | T36-H38 PolarHBondContact O-N 3.09Å; T36-S39 WeakPolarHBondContact O-CB 3.47Å; T36-S39 PolarHBondContact O-N 2.69Å; T36-S39 PolarHBondContact O-OG 2.99Å |
| 37 | P | 98.5 | Very high | 87.7 | Confident | 70 Ų | 70 | 38.8 Ų | 38.8 | 46% | 0.455 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | 130.3 | -177.2 | -30.4 | 34 | 0 | 0 | 0 | 113.1 | S39 H83 | P37-S39 PolarHBondContact O-N 3.02Å; P37-S39 VanDerWaalsContact O-N 3.1Å; P37-H83 HydrophobicContact CB-CB 4.13Å |
| 38 | H | 98.3 | Very high | 90.2 | Very high | 28 Ų | 28 | 33.3 Ų | 33.3 | 13% | 0.13 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 14.9 | 180 | -40.8 | -72.3 | 0 | 0 | 0 | 115.7 | T36 R40 G81 E89 Y129 | T36-H38 PolarHBondContact O-N 3.09Å; H38-R40 PolarHBondContact O-N 2.74Å; H38-G81 PolarHBondContact CE1-O 3.09Å; H38-G81 PolarHBondContact ND1-O 2.8Å; H38-E89 IonicContact CE1-OE2 3.76Å; H38-Y129 HydrophobicContact CB-CD1 3.6Å; H38-Y129 HydrophobicContact CB-CE1 4.43Å; H38-Y129 HydrophobicContact CB-CG 4.32Å; H38-Y129 AromaticContact CG-CD1 3.96Å |
| 39 | S | 98.6 | Very high | 92.3 | Very high | 42 Ų | 42 | 37.4 Ų | 37.4 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -74.3 | -3.2 | 177.4 | 66.1 | 0 | 0 | 0 | 0 | 114.4 | T36 P37 P41 | T36-S39 WeakPolarHBondContact O-CB 3.47Å; T36-S39 PolarHBondContact O-N 2.69Å; T36-S39 PolarHBondContact O-OG 2.99Å; P37-S39 PolarHBondContact O-N 3.02Å; P37-S39 VanDerWaalsContact O-N 3.1Å; S39-P41 WeakPolarHBondContact O-CD 3.4Å |
| 40 | R | 98.8 | Very high | 93.3 | Very high | 68 Ų | 68 | 40.1 Ų | 40.1 | 26% | 0.257 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -124.1 | 66.2 | 172.6 | -58.7 | -64.4 | -179.1 | -83.1 | -4.9 | 110 | H38 Y42 M43 L166 E168 | H38-R40 PolarHBondContact O-N 2.74Å; R40-Y42 WeakPolarHBondContact CD-OH 3.22Å; R40-Y42 PolarHBondContact O-N 3.26Å; R40-M43 HydrophobicContact CB-CG 3.71Å; R40-M43 WeakPolarHBondContact O-CB 3.38Å; R40-M43 WeakPolarHBondContact O-CG 3.3Å; R40-M43 PolarHBondContact O-N 2.97Å; R40-L166 HydrophobicContact CB-CD2 3.99Å; R40-L166 HydrophobicContact CG-CD2 4.47Å; R40-E168 IonicContact CZ-OE1 3.63Å; R40-E168 IonicContact CZ-OE2 3.39Å; R40-E168 IonicContact NE-OE1 3.71Å; R40-E168 IonicContact NE-OE2 2.69Å; R40-E168 PolarHBondContact NE-OE2 2.76Å; R40-E168 VanDerWaalsContact NH2-CD 3.32Å; R40-E168 IonicContact NH2-OE1 2.68Å; R40-E168 PolarHBondContact NH2-OE1 3.3Å; R40-E168 IonicContact NH2-OE2 2.71Å; R40-E168 PolarHBondContact NH2-OE2 2.71Å |
| 41 | P | 98.8 | Very high | 93.4 | Very high | 27 Ų | 27 | 47.9 Ų | 47.9 | 18% | 0.175 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -4.8 | -166.5 | 24.9 | -32.8 | 0 | 0 | 0 | 115.2 | S39 Y129 V130 T131 | S39-P41 WeakPolarHBondContact O-CD 3.4Å; P41-Y129 WeakPolarHBondContact CA-O 3.33Å; P41-Y129 VanDerWaalsContact CB-O 3.28Å; P41-Y129 WeakPolarHBondContact CB-O 3.5Å; P41-V130 CarbonylContact O-C 3.54Å; P41-V130 VanDerWaalsContact O-CA 3.31Å; P41-V130 WeakPolarHBondContact O-CA 3.3Å; P41-T131 HydrophobicContact CB-CG2 3.85Å; P41-T131 HydrophobicContact CG-CG2 3.74Å; P41-T131 VanDerWaalsContact CG-OG1 3.31Å; P41-T131 WeakPolarHBondContact CG-OG1 3.11Å; P41-T131 PolarHBondContact O-N 3.3Å |
| 42 | Y | 98.9 | Very high | 93.8 | Very high | 27 Ų | 27 | 50.9 Ų | 50.9 | 11% | 0.106 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -9.7 | 173.4 | 53.6 | -100.3 | 0 | 0 | 0 | 114.3 | R40 L58 T131 L133 P215 L217 | R40-Y42 WeakPolarHBondContact CD-OH 3.22Å; R40-Y42 PolarHBondContact O-N 3.26Å; Y42-L58 PolarHBondContact O-N 3.2Å; Y42-T131 VanDerWaalsContact CA-O 3.27Å; Y42-T131 WeakPolarHBondContact CA-O 3.27Å; Y42-T131 WeakPolarHBondContact CB-O 3.37Å; Y42-T131 PolarHBondContact N-OG1 2.81Å; Y42-L133 HydrophobicContact CD1-CD1 4.19Å; Y42-L133 HydrophobicContact CD2-CB 4.23Å; Y42-L133 HydrophobicContact CD2-CD1 4.48Å; Y42-L133 HydrophobicContact CD2-CD2 3.88Å; Y42-L133 HydrophobicContact CD2-CG 4.44Å; Y42-L133 HydrophobicContact CE1-CD1 4.38Å; Y42-L133 HydrophobicContact CE2-CD2 4.18Å; Y42-L133 HydrophobicContact CG-CB 3.88Å; Y42-L133 HydrophobicContact CG-CD1 4.23Å; Y42-L133 HydrophobicContact CG-CD2 4.31Å; Y42-L133 HydrophobicContact CG-CG 4.38Å; Y42-P215 HydrophobicContact CD2-CG 4.11Å; Y42-P215 HydrophobicContact CE2-CG 3.82Å; Y42-L217 HydrophobicContact CE1-CD1 4.33Å; Y42-L217 HydrophobicContact CE2-CD1 4.5Å; Y42-L217 WeakPolarHBondContact OH-CD1 3.46Å |
| 43 | M | 98.9 | Very high | 94.2 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.025 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 139.5 | -178.5 | -73.7 | -61.4 | -62.5 | 0 | 0 | 110.8 | R40 A55 A151 W153 L166 P215 | R40-M43 HydrophobicContact CB-CG 3.71Å; R40-M43 WeakPolarHBondContact O-CB 3.38Å; R40-M43 WeakPolarHBondContact O-CG 3.3Å; R40-M43 PolarHBondContact O-N 2.97Å; M43-A55 HydrophobicContact CE-CB 4.15Å; M43-A151 HydrophobicContact CE-CB 4.27Å; M43-A151 WeakPolarHBondContact CE-O 2.99Å; M43-A151 HydrophobicContact CG-CB 4.48Å; M43-A151 HydrophobicContact SD-CB 4.17Å; M43-W153 HydrophobicContact CB-CH2 3.92Å; M43-W153 HydrophobicContact CB-CZ3 4.26Å; M43-W153 HydrophobicContact CE-CZ3 4.01Å; M43-L166 HydrophobicContact CB-CD2 4.22Å; M43-L166 HydrophobicContact CE-CD1 4.23Å; M43-L166 HydrophobicContact CG-CD1 4.49Å; M43-L166 HydrophobicContact CG-CD2 4.07Å; M43-P215 HydrophobicContact SD-CG 3.67Å |
| 44 | V | 98.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 126.1 | 177.5 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | L46 A55 G56 L58 V64 V78 L80 | V44-L46 HydrophobicContact CG1-CD2 3.89Å; V44-A55 CarbonylContact O-C 3.35Å; V44-A55 VanDerWaalsContact O-CA 3.26Å; V44-A55 WeakPolarHBondContact O-CA 3.33Å; V44-G56 WeakPolarHBondContact CB-O 3.36Å; V44-G56 PolarHBondContact N-O 3.34Å; V44-G56 PolarHBondContact O-N 2.93Å; V44-L58 HydrophobicContact CG2-CB 4.05Å; V44-V64 HydrophobicContact CB-CG1 4.15Å; V44-V64 HydrophobicContact CG1-CG1 3.99Å; V44-V64 HydrophobicContact CG1-CG2 4.22Å; V44-V64 HydrophobicContact CG2-CG1 4.02Å; V44-V64 HydrophobicContact CG2-CG2 4.06Å; V44-V78 HydrophobicContact CG1-CG1 3.52Å; V44-L80 HydrophobicContact CB-CD2 4.21Å; V44-L80 HydrophobicContact CG1-CD2 3.93Å; V44-L80 HydrophobicContact CG2-CD2 3.54Å |
| 45 | L | 98.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 121.6 | 168.7 | 170.4 | 64.6 | 0 | 0 | 0 | 108.7 | I53 I79 I85 W153 | L45-I53 HydrophobicContact CD1-CB 4.18Å; L45-I53 HydrophobicContact CD1-CD1 4.35Å; L45-I53 HydrophobicContact CD1-CG2 4.3Å; L45-I79 HydrophobicContact CB-CB 4.21Å; L45-I79 HydrophobicContact CD2-CD1 4.06Å; L45-I79 HydrophobicContact CG-CD1 4.45Å; L45-I79 PolarHBondContact N-O 2.93Å; L45-I79 PolarHBondContact O-N 3Å; L45-I85 HydrophobicContact CD1-CG1 4.49Å; L45-I85 HydrophobicContact CD2-CB 4.39Å; L45-I85 HydrophobicContact CD2-CG1 3.91Å; L45-I85 HydrophobicContact CD2-CG2 4.36Å; L45-W153 HydrophobicContact CB-CD2 4.46Å; L45-W153 HydrophobicContact CB-CE3 4.06Å; L45-W153 HydrophobicContact CB-CH2 3.98Å; L45-W153 HydrophobicContact CB-CZ2 4.38Å; L45-W153 HydrophobicContact CB-CZ3 3.8Å; L45-W153 HydrophobicContact CD1-CD2 4.12Å; L45-W153 HydrophobicContact CD1-CE3 3.98Å; L45-W153 HydrophobicContact CD1-CG 4.37Å |
| 46 | L | 98.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 105.2 | 171.2 | -57.2 | -179.2 | 0 | 0 | 0 | 108.5 | V44 L48 I53 C54 T66 V78 L118 | V44-L46 HydrophobicContact CG1-CD2 3.89Å; L46-L48 HydrophobicContact CB-CD2 4.06Å; L46-L48 HydrophobicContact CB-CG 4.49Å; L46-L48 PolarHBondContact O-N 3.29Å; L46-I53 CarbonylContact O-C 3.58Å; L46-I53 WeakPolarHBondContact O-CA 3.37Å; L46-C54 WeakPolarHBondContact CA-O 3.49Å; L46-C54 HydrophobicContact CB-CB 3.98Å; L46-C54 WeakPolarHBondContact CB-O 3.49Å; L46-C54 HydrophobicContact CD1-CB 3.92Å; L46-C54 HydrophobicContact CG-CB 4.41Å; L46-C54 PolarHBondContact N-O 2.83Å; L46-C54 PolarHBondContact O-N 3.42Å; L46-T66 HydrophobicContact CD1-CG2 3.94Å; L46-T66 VanDerWaalsContact CD1-OG1 3.28Å; L46-T66 WeakPolarHBondContact CD1-OG1 3.17Å; L46-V78 HydrophobicContact CD2-CB 4.33Å; L46-V78 HydrophobicContact CD2-CG1 4.31Å; L46-V78 HydrophobicContact CD2-CG2 3.78Å; L46-L118 HydrophobicContact CD1-CD1 4.21Å; L46-L118 HydrophobicContact CD2-CD1 3.9Å |
| 47 | S | 96.3 | Very high | 94.8 | Very high | 41 Ų | 41 | 36.3 Ų | 36.3 | 29% | 0.287 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 108 | 172.9 | 177.9 | 0 | 0 | 0 | 0 | 108.8 | S76 Q77 | S47-S76 CarbonylContact O-C 3.25Å; S47-S76 VanDerWaalsContact O-CA 3.23Å; S47-S76 WeakPolarHBondContact O-CA 3.3Å; S47-Q77 PolarHBondContact N-O 2.93Å; S47-Q77 PolarHBondContact O-N 2.85Å |
| 48 | L | 92.8 | Very high | 94.8 | Very high | 15 Ų | 15 | 33 Ų | 33 | 8% | 0.079 | 18% | 0.181 | C | C | . | . | trans | -101 | 176.1 | -175.5 | -49.3 | 179.5 | 0 | 0 | 0 | 111.4 | L46 T52 C54 C70 L72 | L46-L48 HydrophobicContact CB-CD2 4.06Å; L46-L48 HydrophobicContact CB-CG 4.49Å; L46-L48 PolarHBondContact O-N 3.29Å; L48-T52 CarbonylContact C-O 3.51Å; L48-T52 WeakPolarHBondContact CA-O 3.49Å; L48-T52 VanDerWaalsContact CB-O 3.27Å; L48-T52 WeakPolarHBondContact CB-O 3.39Å; L48-T52 HydrophobicContact CD1-CG2 4.31Å; L48-T52 PolarHBondContact N-O 3.08Å; L48-C54 HydrophobicContact CD1-CB 4.14Å; L48-C70 HydrophobicContact CD1-CB 4.4Å; L48-L72 HydrophobicContact CD2-CD1 4.07Å; L48-L72 HydrophobicContact CD2-CG 3.77Å | ||
| 49 | H | 83.3 | Confident | 94.8 | Very high | 105 Ų | 105 | 32.4 Ų | 32.4 | 49% | 0.486 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -60.3 | 147.6 | 176.6 | -175.7 | -114.3 | 0 | 0 | 0 | 112.6 | K51 T52 D73 R75 | H49-K51 VanDerWaalsContact C-N 3.34Å; H49-K51 PolarHBondContact O-N 2.89Å; H49-T52 PolarHBondContact O-N 3.17Å; H49-T52 PolarHBondContact O-OG1 2.83Å; H49-D73 WeakPolarHBondContact CB-OD2 3.44Å; H49-D73 IonicContact CD2-OD2 3.4Å; H49-D73 IonicContact CG-OD2 3.95Å; H49-R75 PolarHBondContact CD2-NH2 3.15Å; H49-R75 PolarHBondContact NE2-NH2 3.31Å |
| 50 | G | 76.9 | Confident | 94.8 | Very high | 58 Ų | 58 | 31.5 Ų | 31.5 | 60% | 0.598 | 17% | 0.174 | S | C | * | . | G | 310 helix | trans | 73 | 22.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | T52 | G50-T52 PolarHBondContact O-N 2.85Š|
| 51 | K | 76.3 | Confident | 94.8 | Very high | 183 Ų | 183 | 31.7 Ų | 31.7 | 80% | 0.796 | 18% | 0.178 | S | C | * | . | G | 310 helix | trans | 64.1 | 16 | -172.7 | -51.2 | 179.1 | 178 | -179 | 0 | 113.8 | H49 Q162 | H49-K51 VanDerWaalsContact C-N 3.34Å; H49-K51 PolarHBondContact O-N 2.89Å; K51-Q162 PolarHBondContact O-NE2 3.22Å; K51-Q162 PolarHBondContact O-OE1 3.2Å |
| 52 | T | 88.2 | Confident | 94.8 | Very high | 78 Ų | 78 | 32.1 Ų | 32.1 | 48% | 0.479 | 18% | 0.178 | S | C | . | . | trans | -73.6 | 144.7 | 166.8 | -55.5 | 0 | 0 | 0 | 0 | 108.7 | L48 H49 G50 | L48-T52 CarbonylContact C-O 3.51Å; L48-T52 WeakPolarHBondContact CA-O 3.49Å; L48-T52 VanDerWaalsContact CB-O 3.27Å; L48-T52 WeakPolarHBondContact CB-O 3.39Å; L48-T52 HydrophobicContact CD1-CG2 4.31Å; L48-T52 PolarHBondContact N-O 3.08Å; H49-T52 PolarHBondContact O-N 3.17Å; H49-T52 PolarHBondContact O-OG1 2.83Å; G50-T52 PolarHBondContact O-N 2.85Å | ||
| 53 | I | 95.3 | Very high | 94.8 | Very high | 9 Ų | 9 | 30.9 Ų | 30.9 | 5% | 0.046 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 156.7 | 173.7 | 67.3 | 179.7 | 0 | 0 | 0 | 109.7 | L45 L46 I85 W153 Q162 G210 | L45-I53 HydrophobicContact CD1-CB 4.18Å; L45-I53 HydrophobicContact CD1-CD1 4.35Å; L45-I53 HydrophobicContact CD1-CG2 4.3Å; L46-I53 CarbonylContact O-C 3.58Å; L46-I53 WeakPolarHBondContact O-CA 3.37Å; I53-I85 HydrophobicContact CD1-CD1 3.95Å; I53-W153 HydrophobicContact CD1-CB 3.68Å; I53-W153 WeakPolarHBondContact CD1-O 3.34Å; I53-Q162 HydrophobicContact CD1-CB 4Å; I53-Q162 HydrophobicContact CD1-CG 3.77Å; I53-Q162 HydrophobicContact CG1-CG 4.09Å; I53-G210 WeakPolarHBondContact O-CA 3.22Å |
| 54 | C | 98.3 | Very high | 94.8 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 173.5 | 161.9 | -84.5 | 0 | 0 | 0 | 0 | 108.3 | L46 L48 C70 G210 S212 | L46-C54 WeakPolarHBondContact CA-O 3.49Å; L46-C54 HydrophobicContact CB-CB 3.98Å; L46-C54 WeakPolarHBondContact CB-O 3.49Å; L46-C54 HydrophobicContact CD1-CB 3.92Å; L46-C54 HydrophobicContact CG-CB 4.41Å; L46-C54 PolarHBondContact N-O 2.83Å; L46-C54 PolarHBondContact O-N 3.42Å; L48-C54 HydrophobicContact CD1-CB 4.14Å; C54-C70 HydrophobicContact CB-CB 3.77Å; C54-C70 WeakPolarHBondContact CB-SG 3.15Å; C54-C70 WeakPolarHBondContact SG-CB 3.34Å; C54-C70 CovalentContact SG-SG 2.04Å; C54-C70 PolarHBondContact SG-SG 3.25Å; C54-G210 CarbonylContact C-O 3.59Å; C54-G210 WeakPolarHBondContact CA-O 3.46Å; C54-S212 WeakPolarHBondContact CB-O 3.17Å |
| 55 | A | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 175.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | M43 V44 T66 S212 G213 | M43-A55 HydrophobicContact CE-CB 4.15Å; V44-A55 CarbonylContact O-C 3.35Å; V44-A55 VanDerWaalsContact O-CA 3.26Å; V44-A55 WeakPolarHBondContact O-CA 3.33Å; A55-T66 PolarHBondContact O-OG1 3.08Å; A55-S212 PolarHBondContact N-O 2.79Å; A55-G213 CarbonylContact O-C 3.16Å; A55-G213 WeakPolarHBondContact O-CA 3.43Å |
| 56 | G | 98.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 176.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V44 L65 G213 | V44-G56 WeakPolarHBondContact CB-O 3.36Å; V44-G56 PolarHBondContact N-O 3.34Å; V44-G56 PolarHBondContact O-N 2.93Å; G56-L65 CarbonylContact C-O 3.44Å; G56-L65 WeakPolarHBondContact CA-O 3.26Å; G56-G213 WeakPolarHBondContact CA-O 3.31Å |
| 57 | A | 98.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 132.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | I59 V64 L65 L133 P215 F222 | A57-I59 HydrophobicContact CB-CG2 4.23Å; A57-I59 PolarHBondContact O-N 3.32Å; A57-V64 CarbonylContact O-C 3.5Å; A57-V64 WeakPolarHBondContact O-CA 3.2Å; A57-L65 PolarHBondContact N-O 2.96Å; A57-L65 PolarHBondContact O-N 2.57Å; A57-L133 HydrophobicContact CB-CB 4.48Å; A57-L133 HydrophobicContact CB-CD2 3.91Å; A57-P215 HydrophobicContact CB-CB 4.11Å; A57-P215 HydrophobicContact CB-CG 4.06Å; A57-F222 HydrophobicContact CB-CE1 3.77Å; A57-F222 HydrophobicContact CB-CZ 3.85Å |
| 58 | L | 98.9 | Very high | 95 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 112.1 | 169.3 | -171.2 | 72 | 0 | 0 | 0 | 108.4 | Y42 V44 A60 V64 L80 L120 A124 I126 V130 I132 L133 | Y42-L58 PolarHBondContact O-N 3.2Å; V44-L58 HydrophobicContact CG2-CB 4.05Å; L58-A60 WeakPolarHBondContact CD1-O 3.22Å; L58-A60 WeakPolarHBondContact CG-O 3.39Å; L58-V64 HydrophobicContact CD1-CG2 3.95Å; L58-L80 HydrophobicContact CD1-CD1 4.24Å; L58-L80 HydrophobicContact CD1-CD2 4.14Å; L58-L80 HydrophobicContact CD2-CD1 4.27Å; L58-L120 HydrophobicContact CD1-CD1 4.38Å; L58-A124 HydrophobicContact CD2-CB 4.11Å; L58-I126 HydrophobicContact CD2-CD1 4.04Å; L58-V130 HydrophobicContact CD2-CG1 3.76Å; L58-I132 HydrophobicContact CD2-CG1 4.46Å; L58-I132 CarbonylContact O-C 3.51Å; L58-I132 WeakPolarHBondContact O-CA 3.04Å; L58-L133 PolarHBondContact O-N 3.11Å |
| 59 | I | 98.9 | Very high | 95.2 | Very high | 15 Ų | 15 | 30.8 Ų | 30.8 | 8% | 0.077 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -11.4 | -175.1 | 61.6 | 159.1 | 0 | 0 | 0 | 113.4 | A57 W63 L65 L117 I132 L135 F222 I254 I258 | A57-I59 HydrophobicContact CB-CG2 4.23Å; A57-I59 PolarHBondContact O-N 3.32Å; I59-W63 HydrophobicContact CG1-CB 3.98Å; I59-W63 WeakPolarHBondContact CG1-O 3.35Å; I59-W63 PolarHBondContact N-O 2.97Å; I59-L65 HydrophobicContact CD1-CB 4.08Å; I59-L65 HydrophobicContact CG1-CB 4.34Å; I59-L65 HydrophobicContact CG2-CB 3.99Å; I59-L117 HydrophobicContact CD1-CD2 3.53Å; I59-L117 HydrophobicContact CG1-CD2 4.48Å; I59-I132 VanDerWaalsContact O-CG2 3.26Å; I59-I132 WeakPolarHBondContact O-CG2 3.32Å; I59-L135 HydrophobicContact CD1-CD2 4.49Å; I59-L135 HydrophobicContact CG2-CD2 4.28Å; I59-F222 HydrophobicContact CG2-CE1 3.9Å; I59-I254 HydrophobicContact CD1-CG2 3.75Å; I59-I258 HydrophobicContact CD1-CD1 3.82Å |
| 60 | A | 98.6 | Very high | 95.8 | Very high | 23 Ų | 23 | 25.9 Ų | 25.9 | 19% | 0.19 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 172.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | L58 D62 W63 | L58-A60 WeakPolarHBondContact CD1-O 3.22Å; L58-A60 WeakPolarHBondContact CG-O 3.39Å; A60-D62 PolarHBondContact O-N 2.67Å; A60-D62 VanDerWaalsContact O-N 3.09Å; A60-W63 HydrophobicContact CB-CB 3.93Å; A60-W63 HydrophobicContact CB-CG 4.29Å; A60-W63 PolarHBondContact N-O 2.63Å; A60-W63 PolarHBondContact O-N 2.9Å; A60-W63 VanDerWaalsContact O-N 3.13Å |
| 61 | E | 98.6 | Very high | 96.7 | Very high | 72 Ų | 72 | 29.1 Ų | 29.1 | 34% | 0.336 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -33.4 | -175.7 | -61.1 | 179.7 | 154.4 | 0 | 0 | 113.2 | K123 A124 I126 I132 | E61-K123 HydrophobicContact CB-CB 4.01Å; E61-K123 HydrophobicContact CB-CD 4.44Å; E61-K123 HydrophobicContact CB-CG 4.01Å; E61-K123 VanDerWaalsContact OE2-CD 3.3Å; E61-K123 WeakPolarHBondContact OE2-CD 3.46Å; E61-K123 WeakPolarHBondContact OE2-CE 3.32Å; E61-K123 IonicContact OE2-NZ 2.74Å; E61-K123 PolarHBondContact OE2-NZ 3.13Å; E61-A124 VanDerWaalsContact O-CB 3.22Å; E61-A124 WeakPolarHBondContact O-CB 3.44Å; E61-A124 PolarHBondContact O-N 2.78Å; E61-I126 HydrophobicContact CG-CD1 4.32Å; E61-I126 HydrophobicContact CG-CG1 4.01Å; E61-I132 HydrophobicContact CG-CD1 4.07Å |
| 62 | D | 98.6 | Very high | 97.6 | Very high | 35 Ų | 35 | 21.8 Ų | 21.8 | 19% | 0.187 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | 17.9 | 179.9 | 63.6 | -41.2 | 0 | 0 | 0 | 113.2 | A60 Q119 L120 K123 | A60-D62 PolarHBondContact O-N 2.67Å; A60-D62 VanDerWaalsContact O-N 3.09Å; D62-Q119 CarbonylContact O-C 3.56Å; D62-Q119 WeakPolarHBondContact O-CA 3.08Å; D62-L120 HydrophobicContact CB-CB 4.37Å; D62-L120 PolarHBondContact O-N 2.98Å; D62-K123 HydrophobicContact CB-CG 4.07Å |
| 63 | W | 98.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 124.9 | -178.1 | -68.4 | 86.9 | 0 | 0 | 0 | 113.3 | I59 A60 F101 L117 L118 Q119 T257 I258 A261 | I59-W63 HydrophobicContact CG1-CB 3.98Å; I59-W63 WeakPolarHBondContact CG1-O 3.35Å; I59-W63 PolarHBondContact N-O 2.97Å; A60-W63 HydrophobicContact CB-CB 3.93Å; A60-W63 HydrophobicContact CB-CG 4.29Å; A60-W63 PolarHBondContact N-O 2.63Å; A60-W63 PolarHBondContact O-N 2.9Å; A60-W63 VanDerWaalsContact O-N 3.13Å; W63-F101 AromaticContact CH2-CD2 3.93Å; W63-F101 HydrophobicContact CH2-CD2 3.93Å; W63-F101 AromaticContact CH2-CE2 3.58Å; W63-F101 HydrophobicContact CH2-CE2 3.58Å; W63-F101 HydrophobicContact CH2-CZ 4.08Å; W63-F101 AromaticContact CZ3-CD2 3.73Å; W63-F101 HydrophobicContact CZ3-CD2 3.73Å; W63-F101 AromaticContact CZ3-CE2 3.85Å; W63-F101 HydrophobicContact CZ3-CE2 3.85Å; W63-F101 HydrophobicContact CZ3-CG 4.49Å; W63-L117 HydrophobicContact CE3-CB 3.98Å; W63-L117 HydrophobicContact CE3-CD1 4.36Å; W63-L117 HydrophobicContact CE3-CD2 4.32Å; W63-L117 HydrophobicContact CE3-CG 4.47Å; W63-L117 HydrophobicContact CZ3-CB 3.91Å; W63-L117 HydrophobicContact CZ3-CD1 4.28Å; W63-L118 WeakPolarHBondContact CA-O 3.17Å; W63-Q119 HydrophobicContact CD2-CB 4.49Å; W63-Q119 HydrophobicContact CE3-CB 4.22Å; W63-Q119 HydrophobicContact CH2-CB 3.79Å; W63-Q119 HydrophobicContact CH2-CG 4.1Å; W63-Q119 HydrophobicContact CZ2-CB 4.02Å; W63-Q119 HydrophobicContact CZ2-CG 3.82Å; W63-Q119 HydrophobicContact CZ3-CB 3.89Å; W63-T257 HydrophobicContact CH2-CG2 4.2Å; W63-T257 HydrophobicContact CZ3-CG2 4.16Å; W63-I258 HydrophobicContact CD2-CG1 3.77Å; W63-I258 HydrophobicContact CE3-CG1 4.08Å; W63-I258 HydrophobicContact CG-CD1 4.36Å; W63-I258 HydrophobicContact CG-CG1 4.02Å; W63-A261 HydrophobicContact CH2-CB 3.64Å; W63-A261 HydrophobicContact CZ2-CB 3.59Å |
| 64 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 134.7 | 171.8 | 176.1 | 0 | 0 | 0 | 0 | 109.8 | V44 A57 L58 V78 L117 L118 L120 | V44-V64 HydrophobicContact CB-CG1 4.15Å; V44-V64 HydrophobicContact CG1-CG1 3.99Å; V44-V64 HydrophobicContact CG1-CG2 4.22Å; V44-V64 HydrophobicContact CG2-CG1 4.02Å; V44-V64 HydrophobicContact CG2-CG2 4.06Å; A57-V64 CarbonylContact O-C 3.5Å; A57-V64 WeakPolarHBondContact O-CA 3.2Å; L58-V64 HydrophobicContact CD1-CG2 3.95Å; V64-V78 HydrophobicContact CG2-CG1 3.99Å; V64-L117 CarbonylContact O-C 3.56Å; V64-L117 WeakPolarHBondContact O-CA 3.33Å; V64-L118 HydrophobicContact CB-CB 4.23Å; V64-L118 HydrophobicContact CB-CD1 4.46Å; V64-L118 HydrophobicContact CG1-CD1 4.37Å; V64-L118 PolarHBondContact N-O 2.86Å; V64-L118 PolarHBondContact O-N 2.78Å; V64-L120 HydrophobicContact CG2-CD1 4.24Å; V64-L120 HydrophobicContact CG2-CD2 4.16Å; V64-L120 HydrophobicContact CG2-CG 4.46Å |
| 65 | L | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 131.4 | 167.8 | -175.9 | 63.8 | 0 | 0 | 0 | 109.6 | G56 A57 I59 L115 L117 F222 V225 L246 W253 I254 | G56-L65 CarbonylContact C-O 3.44Å; G56-L65 WeakPolarHBondContact CA-O 3.26Å; A57-L65 PolarHBondContact N-O 2.96Å; A57-L65 PolarHBondContact O-N 2.57Å; I59-L65 HydrophobicContact CD1-CB 4.08Å; I59-L65 HydrophobicContact CG1-CB 4.34Å; I59-L65 HydrophobicContact CG2-CB 3.99Å; L65-L115 HydrophobicContact CD1-CD2 4.31Å; L65-L117 HydrophobicContact CB-CD2 4.17Å; L65-L117 HydrophobicContact CD1-CD2 3.78Å; L65-L117 HydrophobicContact CD1-CG 4.2Å; L65-F222 HydrophobicContact CD2-CE1 4.04Å; L65-F222 HydrophobicContact CD2-CZ 3.86Å; L65-V225 HydrophobicContact CD2-CG2 3.89Å; L65-V225 HydrophobicContact CG-CG2 4.16Å; L65-L246 HydrophobicContact CD2-CD2 4.02Å; L65-W253 HydrophobicContact CD1-CZ3 4.43Å; L65-I254 HydrophobicContact CD1-CD1 4.23Å; L65-I254 HydrophobicContact CD1-CG1 4.42Å; L65-I254 HydrophobicContact CD2-CD1 3.86Å |
| 66 | T | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | -173.5 | 179.1 | -172.3 | 0 | 0 | 0 | 0 | 110 | L46 A55 K116 L118 | L46-T66 HydrophobicContact CD1-CG2 3.94Å; L46-T66 VanDerWaalsContact CD1-OG1 3.28Å; L46-T66 WeakPolarHBondContact CD1-OG1 3.17Å; A55-T66 PolarHBondContact O-OG1 3.08Å; T66-K116 HydrophobicContact CG2-CB 4.25Å; T66-K116 PolarHBondContact N-O 2.94Å; T66-K116 PolarHBondContact O-N 2.78Å; T66-L118 HydrophobicContact CG2-CD1 3.97Å; T66-L118 HydrophobicContact CG2-CD2 4.45Å; T66-L118 HydrophobicContact CG2-CG 4.02Å |
| 67 | A | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -82.9 | 148.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | C70 | A67-C70 WeakPolarHBondContact O-CB 3.02Å; A67-C70 PolarHBondContact O-N 2.85Å | ||
| 68 | A | 98.6 | Very high | 96.8 | Very high | 8 Ų | 8 | 43.3 Ų | 43.3 | 7% | 0.066 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -36.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C70 Y106 D114 K116 | A68-C70 PolarHBondContact O-N 3.05Å; A68-Y106 HydrophobicContact CB-CD1 3.5Å; A68-Y106 VanDerWaalsContact CB-CD1 3.5Å; A68-Y106 HydrophobicContact CB-CD2 4.15Å; A68-Y106 HydrophobicContact CB-CE1 3.79Å; A68-Y106 HydrophobicContact CB-CE2 4.4Å; A68-Y106 HydrophobicContact CB-CG 3.69Å; A68-D114 WeakPolarHBondContact CA-OD1 3.24Å; A68-D114 WeakPolarHBondContact CB-OD1 3.38Å; A68-D114 PolarHBondContact N-OD1 3.43Å; A68-K116 HydrophobicContact CB-CB 4.32Å; A68-K116 PolarHBondContact O-NZ 2.84Å |
| 69 | H | 97.5 | Very high | 96.8 | Very high | 51 Ų | 51 | 44 Ų | 44 | 24% | 0.236 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -11.2 | 179.8 | 76.6 | -97.3 | 0 | 0 | 0 | 114.4 | N71 D114 S212 S227 | H69-N71 PolarHBondContact O-N 3.17Å; H69-N71 PolarHBondContact O-ND2 3.33Å; H69-D114 IonicContact CE1-OD2 3.98Å; H69-D114 PolarHBondContact CE1-OD2 3.02Å; H69-D114 IonicContact CG-OD1 3.77Å; H69-D114 IonicContact CG-OD2 3.8Å; H69-D114 PolarHBondContact N-OD1 3.44Å; H69-D114 VanDerWaalsContact ND1-CG 3.33Å; H69-D114 IonicContact ND1-OD1 3.72Å; H69-D114 PolarHBondContact ND1-OD1 3.5Å; H69-D114 IonicContact ND1-OD2 2.77Å; H69-D114 PolarHBondContact ND1-OD2 2.64Å; H69-S212 VanDerWaalsContact CE1-CB 3.47Å; H69-S212 WeakPolarHBondContact CE1-CB 3.29Å; H69-S212 PolarHBondContact CE1-OG 2.89Å; H69-S212 WeakPolarHBondContact NE2-CB 3.49Å; H69-S212 PolarHBondContact NE2-OG 3.42Å; H69-S227 PolarHBondContact CE1-O 3.2Å |
| 70 | C | 97.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | trans | -71 | 96.7 | 172.8 | -69.2 | 0 | 0 | 0 | 0 | 109.5 | L48 C54 A67 A68 L72 K116 | L48-C70 HydrophobicContact CD1-CB 4.4Å; C54-C70 HydrophobicContact CB-CB 3.77Å; C54-C70 WeakPolarHBondContact CB-SG 3.15Å; C54-C70 WeakPolarHBondContact SG-CB 3.34Å; C54-C70 CovalentContact SG-SG 2.04Å; C54-C70 PolarHBondContact SG-SG 3.25Å; A67-C70 WeakPolarHBondContact O-CB 3.02Å; A67-C70 PolarHBondContact O-N 2.85Å; A68-C70 PolarHBondContact O-N 3.05Å; C70-L72 WeakPolarHBondContact O-CD1 3.45Å; C70-L72 PolarHBondContact O-N 2.9Å; C70-K116 WeakPolarHBondContact O-CE 3.23Å; C70-K116 PolarHBondContact O-NZ 2.99Å | ||
| 71 | N | 95.1 | Very high | 96.8 | Very high | 127 Ų | 127 | 42.5 Ų | 42.5 | 68% | 0.679 | 20% | 0.2 | S | C | * | . | trans | -81.5 | 118.1 | -174.8 | -63.3 | -56.5 | 0 | 0 | 0 | 111.5 | H69 | H69-N71 PolarHBondContact O-N 3.17Å; H69-N71 PolarHBondContact O-ND2 3.33Å | ||
| 72 | L | 94.8 | Very high | 96.8 | Very high | 28 Ų | 28 | 39.3 Ų | 39.3 | 15% | 0.147 | 19% | 0.186 | C | C | . | . | trans | -94 | 151 | 175.2 | -72.8 | 75.8 | 0 | 0 | 0 | 110.3 | L48 C70 V97 L118 | L48-L72 HydrophobicContact CD2-CD1 4.07Å; L48-L72 HydrophobicContact CD2-CG 3.77Å; C70-L72 WeakPolarHBondContact O-CD1 3.45Å; C70-L72 PolarHBondContact O-N 2.9Å; L72-V97 HydrophobicContact CD2-CB 4.39Å; L72-V97 HydrophobicContact CD2-CG2 3.56Å; L72-L118 HydrophobicContact CD1-CD2 4.3Å; L72-L118 HydrophobicContact CD2-CD1 3.98Å; L72-L118 HydrophobicContact CD2-CD2 4.1Å | ||
| 73 | D | 92.3 | Very high | 96.8 | Very high | 57 Ų | 57 | 38 Ų | 38 | 31% | 0.305 | 18% | 0.179 | S | C | . | . | trans | -126.2 | 180 | 169.9 | 79.8 | -12.4 | 0 | 0 | 0 | 110.5 | H49 R75 S76 | H49-D73 WeakPolarHBondContact CB-OD2 3.44Å; H49-D73 IonicContact CD2-OD2 3.4Å; H49-D73 IonicContact CG-OD2 3.95Å; D73-R75 PolarHBondContact O-N 3.44Å; D73-R75 WeakPolarHBondContact OD1-CA 3.48Å; D73-R75 PolarHBondContact OD1-N 2.75Å; D73-R75 IonicContact OD2-NE 2.9Å; D73-R75 IonicContact OD2-NH2 3.92Å; D73-S76 PolarHBondContact N-OG 3.13Å; D73-S76 VanDerWaalsContact O-CB 3.31Å; D73-S76 WeakPolarHBondContact O-CB 3.13Å; D73-S76 PolarHBondContact O-N 2.87Å; D73-S76 PolarHBondContact O-OG 2.83Å; D73-S76 PolarHBondContact OD1-N 3.27Å; D73-S76 PolarHBondContact OD1-OG 3.39Å | ||
| 74 | K | 88.8 | Confident | 96.8 | Very high | 221 Ų | 221 | 37.9 Ų | 37.9 | 96% | 0.961 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -16.2 | 180 | -64.6 | -175.2 | -179.8 | -179.9 | 0 | 114.4 | ||
| 75 | R | 90.4 | Very high | 96.6 | Very high | 174 Ų | 174 | 40.1 Ų | 40.1 | 66% | 0.657 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -7.3 | 179.7 | -68.9 | -179.5 | -71 | -169.7 | -6.9 | 112.4 | H49 D73 | H49-R75 PolarHBondContact CD2-NH2 3.15Å; H49-R75 PolarHBondContact NE2-NH2 3.31Å; D73-R75 PolarHBondContact O-N 3.44Å; D73-R75 WeakPolarHBondContact OD1-CA 3.48Å; D73-R75 PolarHBondContact OD1-N 2.75Å; D73-R75 IonicContact OD2-NE 2.9Å; D73-R75 IonicContact OD2-NH2 3.92Å |
| 76 | S | 95.4 | Very high | 96.4 | Very high | 14 Ų | 14 | 45.4 Ų | 45.4 | 10% | 0.098 | 22% | 0.222 | C | C | . | . | trans | -67.5 | 143.2 | -178.3 | -60.8 | 0 | 0 | 0 | 0 | 110.9 | S47 D73 | S47-S76 CarbonylContact O-C 3.25Å; S47-S76 VanDerWaalsContact O-CA 3.23Å; S47-S76 WeakPolarHBondContact O-CA 3.3Å; D73-S76 PolarHBondContact N-OG 3.13Å; D73-S76 VanDerWaalsContact O-CB 3.31Å; D73-S76 WeakPolarHBondContact O-CB 3.13Å; D73-S76 PolarHBondContact O-N 2.87Å; D73-S76 PolarHBondContact O-OG 2.83Å; D73-S76 PolarHBondContact OD1-N 3.27Å; D73-S76 PolarHBondContact OD1-OG 3.39Å | ||
| 77 | Q | 96.6 | Very high | 96.3 | Very high | 80 Ų | 80 | 53.7 Ų | 53.7 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 140.7 | -178 | -64.9 | -177.7 | -20.8 | 0 | 0 | 110.4 | S47 I79 I94 | S47-Q77 PolarHBondContact N-O 2.93Å; S47-Q77 PolarHBondContact O-N 2.85Å; Q77-I79 HydrophobicContact CB-CD1 4.44Å; Q77-I79 HydrophobicContact CB-CG1 4.11Å; Q77-I94 HydrophobicContact CB-CG2 4.2Å; Q77-I94 HydrophobicContact CG-CG2 4.15Å |
| 78 | V | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 113.6 | 169.4 | 176.1 | 0 | 0 | 0 | 0 | 107.1 | V44 L46 V64 L80 M95 V97 L118 L120 | V44-V78 HydrophobicContact CG1-CG1 3.52Å; L46-V78 HydrophobicContact CD2-CB 4.33Å; L46-V78 HydrophobicContact CD2-CG1 4.31Å; L46-V78 HydrophobicContact CD2-CG2 3.78Å; V64-V78 HydrophobicContact CG2-CG1 3.99Å; V78-L80 HydrophobicContact CG1-CD2 4.22Å; V78-M95 HydrophobicContact CB-CB 4.09Å; V78-M95 HydrophobicContact CG1-CB 4.34Å; V78-M95 PolarHBondContact N-O 3.05Å; V78-M95 PolarHBondContact O-N 2.88Å; V78-V97 HydrophobicContact CG2-CG2 3.54Å; V78-L118 HydrophobicContact CG2-CD1 4.27Å; V78-L120 HydrophobicContact CB-CD2 4.17Å; V78-L120 HydrophobicContact CG1-CD2 3.92Å; V78-L120 HydrophobicContact CG2-CD2 4.01Å |
| 79 | I | 98.7 | Very high | 96.2 | Very high | 14 Ų | 14 | 65 Ų | 65 | 7% | 0.072 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 114.2 | -173.8 | -50.8 | 172.9 | 0 | 0 | 0 | 108.7 | L45 Q77 A82 K92 | L45-I79 HydrophobicContact CB-CB 4.21Å; L45-I79 HydrophobicContact CD2-CD1 4.06Å; L45-I79 HydrophobicContact CG-CD1 4.45Å; L45-I79 PolarHBondContact N-O 2.93Å; L45-I79 PolarHBondContact O-N 3Å; Q77-I79 HydrophobicContact CB-CD1 4.44Å; Q77-I79 HydrophobicContact CB-CG1 4.11Å; I79-A82 HydrophobicContact CG2-CB 4Å; I79-K92 HydrophobicContact CG2-CB 4.39Å; I79-K92 HydrophobicContact CG2-CD 4.08Å; I79-K92 HydrophobicContact CG2-CG 3.96Å |
| 80 | L | 98.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 71.6 Ų | 71.6 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 154.8 | 176.7 | -48 | 174.8 | 0 | 0 | 0 | 110.1 | V44 L58 V78 A82 K92 Q93 M95 A124 V130 | V44-L80 HydrophobicContact CB-CD2 4.21Å; V44-L80 HydrophobicContact CG1-CD2 3.93Å; V44-L80 HydrophobicContact CG2-CD2 3.54Å; L58-L80 HydrophobicContact CD1-CD1 4.24Å; L58-L80 HydrophobicContact CD1-CD2 4.14Å; L58-L80 HydrophobicContact CD2-CD1 4.27Å; V78-L80 HydrophobicContact CG1-CD2 4.22Å; L80-A82 PolarHBondContact O-N 3.47Å; L80-K92 VanDerWaalsContact O-CA 3.3Å; L80-K92 WeakPolarHBondContact O-CA 3.35Å; L80-Q93 HydrophobicContact CB-CB 4.23Å; L80-Q93 PolarHBondContact N-O 2.76Å; L80-Q93 PolarHBondContact O-N 3Å; L80-M95 HydrophobicContact CD1-CG 3.89Å; L80-M95 HydrophobicContact CG-CG 4.2Å; L80-A124 HydrophobicContact CD1-CB 3.4Å; L80-V130 HydrophobicContact CB-CG1 4.04Å; L80-V130 HydrophobicContact CB-CG2 4.02Å; L80-V130 HydrophobicContact CD1-CG1 4.03Å |
| 81 | G | 98.6 | Very high | 96.2 | Very high | 5 Ų | 5 | 73.9 Ų | 73.9 | 5% | 0.052 | 34% | 0.343 | C | S | . | . | S | Bend | trans | 68.4 | 12.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | H38 Y129 | H38-G81 PolarHBondContact CE1-O 3.09Å; H38-G81 PolarHBondContact ND1-O 2.8Å; G81-Y129 WeakPolarHBondContact CA-O 3.32Å |
| 82 | A | 98.6 | Very high | 96.4 | Very high | 6 Ų | 6 | 69.8 Ų | 69.8 | 5% | 0.05 | 32% | 0.319 | C | S | . | . | trans | -75.7 | 144.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I79 L80 E89 K92 W153 | I79-A82 HydrophobicContact CG2-CB 4Å; L80-A82 PolarHBondContact O-N 3.47Å; A82-E89 WeakPolarHBondContact CA-OE2 3.35Å; A82-K92 HydrophobicContact CB-CD 4.39Å; A82-K92 HydrophobicContact CB-CG 4.05Å; A82-W153 HydrophobicContact CB-CZ2 4.16Å; A82-W153 WeakPolarHBondContact O-CZ2 3.44Å | ||
| 83 | H | 98.5 | Very high | 96.6 | Very high | 6 Ų | 6 | 69.8 Ų | 69.8 | 3% | 0.028 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -110.8 | -53.6 | 158.4 | 179.6 | 62.6 | 0 | 0 | 0 | 110.7 | E34 V35 P37 E89 W153 T165 L166 | E34-H83 IonicContact OE1-CD2 2.79Å; E34-H83 IonicContact OE1-CE1 3.26Å; E34-H83 IonicContact OE1-NE2 3.52Å; E34-H83 PolarHBondContact OE1-NE2 2.93Å; V35-H83 PolarHBondContact O-CE1 2.95Å; P37-H83 HydrophobicContact CB-CB 4.13Å; H83-E89 WeakPolarHBondContact CB-OE1 3.23Å; H83-E89 PolarHBondContact N-OE2 2.97Å; H83-W153 PolarHBondContact O-NE1 2.87Å; H83-T165 CarbonylContact O-C 3.5Å; H83-T165 WeakPolarHBondContact O-CA 3.44Å; H83-L166 PolarHBondContact O-N 2.86Å |
| 84 | S | 97.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.007 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -93.4 | 143.2 | 173.8 | 165 | 0 | 0 | 0 | 0 | 111.3 | T86 R87 E89 K92 D164 | S84-T86 PolarHBondContact OG-N 2.83Å; S84-R87 WeakPolarHBondContact OG-CB 3.33Å; S84-R87 VanDerWaalsContact OG-CG 3.32Å; S84-R87 WeakPolarHBondContact OG-CG 3.38Å; S84-R87 PolarHBondContact OG-N 2.76Å; S84-E89 WeakPolarHBondContact CB-OE1 3.13Å; S84-E89 PolarHBondContact N-OE1 2.61Å; S84-K92 WeakPolarHBondContact O-CE 3.08Å; S84-K92 PolarHBondContact O-NZ 3.03Å; S84-D164 CarbonylContact C-O 3.41Å; S84-D164 WeakPolarHBondContact CA-O 3.37Å; S84-D164 WeakPolarHBondContact CB-OD2 3.49Å; S84-D164 VanDerWaalsContact OG-CG 3.31Å; S84-D164 PolarHBondContact OG-OD1 3.06Å; S84-D164 PolarHBondContact OG-OD2 3.44Å |
| 85 | I | 95.1 | Very high | 97.3 | Very high | 47 Ų | 47 | 62.3 Ų | 62.3 | 24% | 0.241 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -67.5 | -52.2 | 171.6 | -62 | 176.9 | 0 | 0 | 0 | 109.3 | L45 I53 K92 W153 S163 D164 | L45-I85 HydrophobicContact CD1-CG1 4.49Å; L45-I85 HydrophobicContact CD2-CB 4.39Å; L45-I85 HydrophobicContact CD2-CG1 3.91Å; L45-I85 HydrophobicContact CD2-CG2 4.36Å; I53-I85 HydrophobicContact CD1-CD1 3.95Å; I85-K92 PolarHBondContact O-NZ 2.68Å; I85-W153 HydrophobicContact CD1-CB 4.01Å; I85-W153 HydrophobicContact CD1-CG 4.28Å; I85-W153 HydrophobicContact CG1-CB 4.39Å; I85-W153 HydrophobicContact CG1-CG 4.12Å; I85-S163 VanDerWaalsContact CD1-O 3.28Å; I85-S163 WeakPolarHBondContact CD1-O 3.26Å; I85-D164 PolarHBondContact N-O 3.38Å; I85-D164 PolarHBondContact N-OD1 2.69Å |
| 86 | T | 94.6 | Very high | 97.7 | Very high | 110 Ų | 110 | 62.9 Ų | 62.9 | 68% | 0.675 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -86.9 | -30.8 | -167.3 | 58.6 | 0 | 0 | 0 | 0 | 114.3 | S84 D164 | S84-T86 PolarHBondContact OG-N 2.83Å; T86-D164 VanDerWaalsContact CB-OD1 3.28Å; T86-D164 WeakPolarHBondContact CB-OD1 2.88Å; T86-D164 VanDerWaalsContact CG2-OD1 3.23Å; T86-D164 WeakPolarHBondContact CG2-OD1 2.83Å; T86-D164 PolarHBondContact N-OD1 3.14Å; T86-D164 PolarHBondContact OG1-OD1 2.87Å |
| 87 | R | 96.6 | Very high | 97.8 | Very high | 174 Ų | 174 | 64 Ų | 64 | 66% | 0.657 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -71 | 145.9 | -178.4 | -64.9 | 177.6 | 64.4 | -175.4 | -2.1 | 111.1 | S84 K92 | S84-R87 WeakPolarHBondContact OG-CB 3.33Å; S84-R87 VanDerWaalsContact OG-CG 3.32Å; S84-R87 WeakPolarHBondContact OG-CG 3.38Å; S84-R87 PolarHBondContact OG-N 2.76Å; R87-K92 PolarHBondContact O-NZ 3.46Å |
| 88 | K | 96.9 | Very high | 97.8 | Very high | 212 Ų | 212 | 66.8 Ų | 66.8 | 92% | 0.922 | 31% | 0.307 | S | S | * | . | trans | -78.1 | 122.3 | 167.8 | -64.8 | -176.7 | -178.3 | 179 | 0 | 108.2 | ||||
| 89 | E | 98.3 | Very high | 97.8 | Very high | 33 Ų | 33 | 72.2 Ų | 72.2 | 15% | 0.154 | 33% | 0.331 | C | S | . | . | trans | -124.8 | 136 | -179.5 | -66.2 | 171.7 | 163.5 | 0 | 0 | 107.1 | H38 A82 H83 S84 E91 K92 | H38-E89 IonicContact CE1-OE2 3.76Å; A82-E89 WeakPolarHBondContact CA-OE2 3.35Å; H83-E89 WeakPolarHBondContact CB-OE1 3.23Å; H83-E89 PolarHBondContact N-OE2 2.97Å; S84-E89 WeakPolarHBondContact CB-OE1 3.13Å; S84-E89 PolarHBondContact N-OE1 2.61Å; E89-E91 PolarHBondContact O-N 2.89Å; E89-K92 HydrophobicContact CB-CD 4.16Å; E89-K92 HydrophobicContact CB-CG 4.03Å; E89-K92 PolarHBondContact O-N 3.1Å; E89-K92 WeakPolarHBondContact OE2-CE 3.35Å | ||
| 90 | Q | 98.1 | Very high | 97.7 | Very high | 190 Ų | 190 | 75.1 Ų | 75.1 | 89% | 0.888 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -21 | -178.6 | -67.6 | -175.3 | -24.1 | 0 | 0 | 111.6 | K92 | Q90-K92 VanDerWaalsContact C-N 3.31Š|
| 91 | E | 98.4 | Very high | 97.7 | Very high | 51 Ų | 51 | 76.8 Ų | 76.8 | 24% | 0.238 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -21.8 | -179.9 | -62.9 | 73.6 | -161.6 | 0 | 0 | 112.5 | E89 Q93 Y129 | E89-E91 PolarHBondContact O-N 2.89Å; E91-Q93 PolarHBondContact O-N 3.11Å; E91-Y129 HydrophobicContact CB-CD2 4.04Å; E91-Y129 HydrophobicContact CB-CG 4.13Å; E91-Y129 HydrophobicContact CG-CD1 4.23Å; E91-Y129 HydrophobicContact CG-CD2 3.35Å; E91-Y129 HydrophobicContact CG-CE1 4.49Å; E91-Y129 HydrophobicContact CG-CE2 3.66Å; E91-Y129 HydrophobicContact CG-CG 3.64Å |
| 92 | K | 98.7 | Very high | 97.7 | Very high | 40 Ų | 40 | 79.9 Ų | 79.9 | 17% | 0.174 | 37% | 0.37 | C | S | . | . | trans | -65.2 | 131.6 | -177.5 | -82.8 | 177 | 179.2 | 178.2 | 0 | 111.8 | I79 L80 A82 S84 I85 R87 E89 Q90 | I79-K92 HydrophobicContact CG2-CB 4.39Å; I79-K92 HydrophobicContact CG2-CD 4.08Å; I79-K92 HydrophobicContact CG2-CG 3.96Å; L80-K92 VanDerWaalsContact O-CA 3.3Å; L80-K92 WeakPolarHBondContact O-CA 3.35Å; A82-K92 HydrophobicContact CB-CD 4.39Å; A82-K92 HydrophobicContact CB-CG 4.05Å; S84-K92 WeakPolarHBondContact O-CE 3.08Å; S84-K92 PolarHBondContact O-NZ 3.03Å; I85-K92 PolarHBondContact O-NZ 2.68Å; R87-K92 PolarHBondContact O-NZ 3.46Å; E89-K92 HydrophobicContact CB-CD 4.16Å; E89-K92 HydrophobicContact CB-CG 4.03Å; E89-K92 PolarHBondContact O-N 3.1Å; E89-K92 WeakPolarHBondContact OE2-CE 3.35Å; Q90-K92 VanDerWaalsContact C-N 3.31Å | ||
| 93 | Q | 98.7 | Very high | 97.7 | Very high | 29 Ų | 29 | 80.7 Ų | 80.7 | 14% | 0.136 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 112.4 | 167 | -56.3 | 179 | 35.5 | 0 | 0 | 108.5 | L80 E91 M95 K125 N127 V130 | L80-Q93 HydrophobicContact CB-CB 4.23Å; L80-Q93 PolarHBondContact N-O 2.76Å; L80-Q93 PolarHBondContact O-N 3Å; E91-Q93 PolarHBondContact O-N 3.11Å; Q93-M95 HydrophobicContact CB-SD 4.28Å; Q93-K125 PolarHBondContact NE2-O 2.89Å; Q93-N127 PolarHBondContact NE2-ND2 2.75Å; Q93-V130 HydrophobicContact CG-CG2 4.49Å |
| 94 | I | 98.3 | Very high | 97.7 | Very high | 104 Ų | 104 | 85.3 Ų | 85.3 | 53% | 0.533 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 111.5 | 179.3 | -56.1 | 176.3 | 0 | 0 | 0 | 108.2 | Q77 | Q77-I94 HydrophobicContact CB-CG2 4.2Å; Q77-I94 HydrophobicContact CG-CG2 4.15Å |
| 95 | M | 98.3 | Very high | 97.7 | Very high | 16 Ų | 16 | 89.4 Ų | 89.4 | 8% | 0.079 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 155.9 | -174.3 | -50.3 | -65.6 | -75.7 | 0 | 0 | 110.3 | V78 L80 Q93 L120 E122 | V78-M95 HydrophobicContact CB-CB 4.09Å; V78-M95 HydrophobicContact CG1-CB 4.34Å; V78-M95 PolarHBondContact N-O 3.05Å; V78-M95 PolarHBondContact O-N 2.88Å; L80-M95 HydrophobicContact CD1-CG 3.89Å; L80-M95 HydrophobicContact CG-CG 4.2Å; Q93-M95 HydrophobicContact CB-SD 4.28Å; M95-L120 HydrophobicContact CB-CD1 4.18Å; M95-L120 HydrophobicContact CB-CD2 4.4Å; M95-L120 HydrophobicContact CE-CB 4.48Å; M95-L120 HydrophobicContact CE-CD1 4.09Å; M95-L120 HydrophobicContact CG-CD1 4.22Å; M95-E122 HydrophobicContact CE-CB 4.15Å; M95-E122 WeakPolarHBondContact CE-O 3.46Å |
| 96 | R | 97.4 | Very high | 97.9 | Very high | 187 Ų | 187 | 89.8 Ų | 89.8 | 71% | 0.706 | 43% | 0.429 | S | S | * | . | trans | -109.6 | 151.8 | 172.1 | -66.2 | -174.2 | 177.4 | 109.6 | -1.4 | 110.4 | L120 T121 | R96-L120 WeakPolarHBondContact O-CA 3.4Å; R96-T121 HydrophobicContact CB-CG2 3.93Å; R96-T121 PolarHBondContact O-N 3.23Å; R96-T121 PolarHBondContact O-OG1 3.48Å | ||
| 97 | V | 97.9 | Very high | 98 | Very high | 38 Ų | 38 | 87.6 Ų | 87.6 | 23% | 0.23 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 125.5 | 173.4 | 179.4 | 0 | 0 | 0 | 0 | 109.3 | L72 V78 E100 L118 | L72-V97 HydrophobicContact CD2-CB 4.39Å; L72-V97 HydrophobicContact CD2-CG2 3.56Å; V78-V97 HydrophobicContact CG2-CG2 3.54Å; V97-E100 HydrophobicContact CG1-CG 3.91Å; V97-L118 HydrophobicContact CG1-CB 4.3Å; V97-L118 HydrophobicContact CG1-CD2 4.35Å; V97-L118 HydrophobicContact CG2-CB 4.16Å; V97-L118 HydrophobicContact CG2-CD1 4.17Å; V97-L118 HydrophobicContact CG2-CD2 4.48Å |
| 98 | K | 96.9 | Very high | 98 | Very high | 137 Ų | 137 | 83.3 Ų | 83.3 | 60% | 0.596 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -46.4 | 171 | -178.9 | -179.8 | 176.2 | -174.4 | 0 | 110.8 | Q119 T121 | K98-Q119 WeakPolarHBondContact CB-O 3.42Å; K98-Q119 HydrophobicContact CD-CG 4.41Å; K98-Q119 PolarHBondContact N-O 2.88Å; K98-T121 HydrophobicContact CB-CG2 3.95Å |
| 99 | K | 97.8 | Very high | 97.9 | Very high | 114 Ų | 114 | 77.2 Ų | 77.2 | 50% | 0.496 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 141.8 | -176.9 | -172.1 | 167.7 | 174.2 | -176.9 | 0 | 111.3 | F101 Q119 | K99-F101 HydrophobicContact CB-CD2 4.48Å; K99-F101 HydrophobicContact CB-CE2 3.77Å; K99-F101 HydrophobicContact CB-CZ 4.27Å; K99-F101 HydrophobicContact CD-CE1 4.06Å; K99-F101 HydrophobicContact CD-CE2 3.86Å; K99-F101 HydrophobicContact CD-CZ 3.48Å; K99-F101 VanDerWaalsContact CD-CZ 3.48Å; K99-F101 HydrophobicContact CG-CD2 4.2Å; K99-F101 HydrophobicContact CG-CE1 4.47Å; K99-F101 HydrophobicContact CG-CE2 3.64Å; K99-F101 HydrophobicContact CG-CZ 3.81Å; K99-Q119 PolarHBondContact N-O 2.89Å; K99-Q119 PolarHBondContact O-N 3.46Å |
| 100 | E | 98.4 | Very high | 97.9 | Very high | 75 Ų | 75 | 78.1 Ų | 78.1 | 35% | 0.35 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 139.4 | 173.4 | -65.5 | -173.9 | -124.9 | 0 | 0 | 110.4 | V97 K116 L118 | V97-E100 HydrophobicContact CG1-CG 3.91Å; E100-K116 HydrophobicContact CB-CD 4.24Å; E100-K116 WeakPolarHBondContact OE2-CD 3.48Å; E100-K116 WeakPolarHBondContact OE2-CE 3.28Å; E100-K116 IonicContact OE2-NZ 3.9Å; E100-K116 PolarHBondContact OE2-NZ 2.92Å; E100-L118 HydrophobicContact CB-CD2 4.47Å; E100-L118 HydrophobicContact CG-CD2 3.79Å |
| 101 | F | 98.6 | Very high | 97.8 | Very high | 38 Ų | 38 | 71.6 Ų | 71.6 | 17% | 0.167 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 79.6 | 176.5 | -62.3 | -96.6 | 0 | 0 | 0 | 108.1 | W63 K99 K116 L117 Q119 W253 T257 A261 | W63-F101 AromaticContact CH2-CD2 3.93Å; W63-F101 HydrophobicContact CH2-CD2 3.93Å; W63-F101 AromaticContact CH2-CE2 3.58Å; W63-F101 HydrophobicContact CH2-CE2 3.58Å; W63-F101 HydrophobicContact CH2-CZ 4.08Å; W63-F101 AromaticContact CZ3-CD2 3.73Å; W63-F101 HydrophobicContact CZ3-CD2 3.73Å; W63-F101 AromaticContact CZ3-CE2 3.85Å; W63-F101 HydrophobicContact CZ3-CE2 3.85Å; W63-F101 HydrophobicContact CZ3-CG 4.49Å; K99-F101 HydrophobicContact CB-CD2 4.48Å; K99-F101 HydrophobicContact CB-CE2 3.77Å; K99-F101 HydrophobicContact CB-CZ 4.27Å; K99-F101 HydrophobicContact CD-CE1 4.06Å; K99-F101 HydrophobicContact CD-CE2 3.86Å; K99-F101 HydrophobicContact CD-CZ 3.48Å; K99-F101 VanDerWaalsContact CD-CZ 3.48Å; K99-F101 HydrophobicContact CG-CD2 4.2Å; K99-F101 HydrophobicContact CG-CE1 4.47Å; K99-F101 HydrophobicContact CG-CE2 3.64Å; K99-F101 HydrophobicContact CG-CZ 3.81Å; F101-K116 WeakPolarHBondContact O-CA 3.28Å; F101-L117 HydrophobicContact CB-CB 4.05Å; F101-L117 PolarHBondContact N-O 2.04Å; F101-L117 PolarHBondContact O-N 2.91Å; F101-Q119 HydrophobicContact CD2-CB 4.5Å; F101-Q119 HydrophobicContact CE2-CB 3.89Å; F101-W253 VanDerWaalsContact O-CZ2 3.27Å; F101-W253 WeakPolarHBondContact O-CZ2 3.28Å; F101-T257 HydrophobicContact CB-CG2 3.91Å; F101-T257 HydrophobicContact CD1-CG2 3.66Å; F101-T257 HydrophobicContact CD2-CG2 4.38Å; F101-T257 HydrophobicContact CE1-CG2 4.19Å; F101-T257 HydrophobicContact CG-CG2 3.75Å; F101-A261 HydrophobicContact CZ-CB 3.94Å |
| 102 | P | 98.5 | Very high | 97.8 | Very high | 69 Ų | 69 | 71.6 Ų | 71.6 | 45% | 0.448 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 147.4 | 169.6 | 27.9 | -33.7 | 0 | 0 | 0 | 109.6 | P104 K116 | P102-P104 WeakPolarHBondContact O-CD 3.42Å; P102-K116 HydrophobicContact CB-CD 4.33Å |
| 103 | Y | 98.6 | Very high | 97.8 | Very high | 24 Ų | 24 | 69.7 Ų | 69.7 | 9% | 0.094 | 37% | 0.366 | C | S | . | . | trans | -58.5 | 124.3 | 173.6 | 179.7 | -118.2 | 0 | 0 | 0 | 109.1 | C105 Y106 G113 L115 K249 Y250 W253 | Y103-C105 HydrophobicContact CD1-CB 4.17Å; Y103-C105 HydrophobicContact CE1-CB 3.54Å; Y103-C105 PolarHBondContact O-N 2.86Å; Y103-Y106 WeakPolarHBondContact O-CB 3.13Å; Y103-Y106 PolarHBondContact O-N 2.79Å; Y103-G113 WeakPolarHBondContact CB-O 3.03Å; Y103-G113 WeakPolarHBondContact CD1-O 3.26Å; Y103-L115 WeakPolarHBondContact CB-O 3.39Å; Y103-L115 PolarHBondContact N-O 3.45Å; Y103-K249 WeakPolarHBondContact OH-CD 3.22Å; Y103-K249 VanDerWaalsContact OH-CE 3.32Å; Y103-K249 WeakPolarHBondContact OH-CE 3.48Å; Y103-Y250 HydrophobicContact CD1-CD1 4.37Å; Y103-Y250 AromaticContact CD1-CE1 3.87Å; Y103-Y250 HydrophobicContact CD1-CE1 3.87Å; Y103-Y250 HydrophobicContact CD2-CD1 4.25Å; Y103-Y250 HydrophobicContact CE1-CD1 4.09Å; Y103-Y250 AromaticContact CE1-CE1 3.47Å; Y103-Y250 HydrophobicContact CE1-CE1 3.47Å; Y103-Y250 VanDerWaalsContact CE1-CE1 3.47Å; Y103-Y250 AromaticContact CE2-CD1 3.98Å; Y103-Y250 HydrophobicContact CE2-CD1 3.98Å; Y103-Y250 HydrophobicContact CE2-CE1 4.21Å; Y103-Y250 HydrophobicContact CG-CD1 4.44Å; Y103-Y250 HydrophobicContact CG-CE1 4.37Å; Y103-Y250 AromaticContact CZ-CD1 3.88Å; Y103-Y250 AromaticContact CZ-CE1 3.66Å; Y103-W253 HydrophobicContact CD2-CB 4.24Å; Y103-W253 AromaticContact CD2-CD1 3.9Å; Y103-W253 AromaticContact CD2-CD2 3.53Å; Y103-W253 HydrophobicContact CD2-CD2 3.53Å; Y103-W253 AromaticContact CD2-CE2 3.83Å; Y103-W253 AromaticContact CD2-CE3 3.92Å; Y103-W253 HydrophobicContact CD2-CE3 3.92Å; Y103-W253 AromaticContact CD2-CG 3.61Å; Y103-W253 HydrophobicContact CD2-CG 3.61Å; Y103-W253 HydrophobicContact CD2-CZ2 4.48Å; Y103-W253 HydrophobicContact CE2-CB 4.02Å; Y103-W253 HydrophobicContact CE2-CD2 4.22Å; Y103-W253 AromaticContact CE2-CG 3.84Å; Y103-W253 HydrophobicContact CE2-CG 3.84Å | ||
| 104 | P | 98 | Very high | 97.8 | Very high | 103 Ų | 103 | 68.3 Ų | 68.3 | 67% | 0.669 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -21.9 | -170.8 | -27.8 | 34.8 | 0 | 0 | 0 | 115 | P102 | P102-P104 WeakPolarHBondContact O-CD 3.42Š|
| 105 | C | 98 | Very high | 97.8 | Very high | 86 Ų | 86 | 63.3 Ų | 63.3 | 58% | 0.581 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | 27.5 | 178.8 | -49.1 | 0 | 0 | 0 | 0 | 111.8 | Y103 D107 | Y103-C105 HydrophobicContact CD1-CB 4.17Å; Y103-C105 HydrophobicContact CE1-CB 3.54Å; Y103-C105 PolarHBondContact O-N 2.86Å; C105-D107 PolarHBondContact O-N 3.29Å |
| 106 | Y | 98.3 | Very high | 97.9 | Very high | 56 Ų | 56 | 62.9 Ų | 62.9 | 22% | 0.22 | 33% | 0.332 | C | S | . | . | trans | -63.9 | 124.8 | 168.2 | 167.4 | -127.9 | 0 | 0 | 0 | 109.5 | A68 Y103 P108 E112 D114 | A68-Y106 HydrophobicContact CB-CD1 3.5Å; A68-Y106 VanDerWaalsContact CB-CD1 3.5Å; A68-Y106 HydrophobicContact CB-CD2 4.15Å; A68-Y106 HydrophobicContact CB-CE1 3.79Å; A68-Y106 HydrophobicContact CB-CE2 4.4Å; A68-Y106 HydrophobicContact CB-CG 3.69Å; Y103-Y106 WeakPolarHBondContact O-CB 3.13Å; Y103-Y106 PolarHBondContact O-N 2.79Å; Y106-P108 HydrophobicContact CE1-CB 4Å; Y106-P108 WeakPolarHBondContact OH-CA 3.5Å; Y106-E112 WeakPolarHBondContact CA-O 2.91Å; Y106-D114 VanDerWaalsContact CD2-CA 3.43Å; Y106-D114 HydrophobicContact CD2-CB 3.87Å; Y106-D114 HydrophobicContact CE2-CB 3.61Å | ||
| 107 | D | 98.1 | Very high | 97.9 | Very high | 63 Ų | 63 | 54 Ų | 54 | 34% | 0.337 | 30% | 0.298 | S | S | . | . | B | Isolated β-bridge | trans | -108.1 | 109.7 | 173.7 | 176.8 | 4 | 0 | 0 | 0 | 109.9 | C105 A109 T110 H111 E112 | C105-D107 PolarHBondContact O-N 3.29Å; D107-A109 PolarHBondContact O-N 3.15Å; D107-A109 WeakPolarHBondContact OD1-CB 3.32Å; D107-A109 PolarHBondContact OD1-N 3.29Å; D107-T110 WeakPolarHBondContact CB-OG1 3.46Å; D107-T110 PolarHBondContact O-N 3.06Å; D107-T110 WeakPolarHBondContact OD2-CG2 3.04Å; D107-T110 PolarHBondContact OD2-OG1 2.97Å; D107-H111 WeakPolarHBondContact O-CA 3.31Å; D107-H111 PolarHBondContact O-N 3.38Å; D107-E112 HydrophobicContact CB-CB 4.39Å; D107-E112 PolarHBondContact N-O 3.45Å; D107-E112 PolarHBondContact O-N 3.46Å |
| 108 | P | 96.4 | Very high | 98 | Very high | 85 Ų | 85 | 52.2 Ų | 52.2 | 55% | 0.552 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -16.9 | -179.3 | 29.3 | -35.3 | 0 | 0 | 0 | 114.1 | Y106 | Y106-P108 HydrophobicContact CE1-CB 4Å; Y106-P108 WeakPolarHBondContact OH-CA 3.5Å |
| 109 | A | 95.3 | Very high | 98.1 | Very high | 84 Ų | 84 | 46.3 Ų | 46.3 | 69% | 0.694 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -35.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D107 | D107-A109 PolarHBondContact O-N 3.15Å; D107-A109 WeakPolarHBondContact OD1-CB 3.32Å; D107-A109 PolarHBondContact OD1-N 3.29Å |
| 110 | T | 96.6 | Very high | 98.1 | Very high | 52 Ų | 52 | 41 Ų | 41 | 32% | 0.319 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -10.2 | -178.3 | 59.6 | 0 | 0 | 0 | 0 | 113.4 | D107 E112 | D107-T110 WeakPolarHBondContact CB-OG1 3.46Å; D107-T110 PolarHBondContact O-N 3.06Å; D107-T110 WeakPolarHBondContact OD2-CG2 3.04Å; D107-T110 PolarHBondContact OD2-OG1 2.97Å; T110-E112 PolarHBondContact O-N 3.32Å; T110-E112 WeakPolarHBondContact OG1-CB 3.32Å; T110-E112 PolarHBondContact OG1-N 3.26Å |
| 111 | H | 97.3 | Very high | 98.1 | Very high | 53 Ų | 53 | 40.8 Ų | 40.8 | 25% | 0.245 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 12.4 | -168.1 | -56.5 | -83.8 | 0 | 0 | 0 | 114.3 | D107 G113 D114 M195 F228 I244 | D107-H111 WeakPolarHBondContact O-CA 3.31Å; D107-H111 PolarHBondContact O-N 3.38Å; H111-G113 PolarHBondContact O-N 2.97Å; H111-D114 WeakPolarHBondContact O-CB 3.18Å; H111-D114 PolarHBondContact O-N 3.07Å; H111-M195 VanDerWaalsContact C-CE 3.5Å; H111-M195 WeakPolarHBondContact O-CE 3.31Å; H111-F228 HydrophobicContact CB-CD1 3.52Å; H111-F228 HydrophobicContact CB-CE1 3.63Å; H111-F228 HydrophobicContact CB-CG 4.47Å; H111-F228 AromaticContact CD2-CD1 3.83Å; H111-F228 AromaticContact CD2-CG 4Å; H111-F228 AromaticContact CG-CD1 3.61Å; H111-I244 WeakPolarHBondContact O-CD1 3.43Å |
| 112 | E | 98.2 | Very high | 98 | Very high | 50 Ų | 50 | 45.7 Ų | 45.7 | 23% | 0.234 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -62.8 | 126.8 | 177.7 | -176.8 | 86.8 | -158.1 | 0 | 0 | 110.3 | Y106 D107 T110 D114 N194 M195 K249 | Y106-E112 WeakPolarHBondContact CA-O 2.91Å; D107-E112 HydrophobicContact CB-CB 4.39Å; D107-E112 PolarHBondContact N-O 3.45Å; D107-E112 PolarHBondContact O-N 3.46Å; T110-E112 PolarHBondContact O-N 3.32Å; T110-E112 WeakPolarHBondContact OG1-CB 3.32Å; T110-E112 PolarHBondContact OG1-N 3.26Å; E112-D114 VanDerWaalsContact C-N 3.32Å; E112-D114 PolarHBondContact O-N 2.92Å; E112-N194 VanDerWaalsContact OE1-CB 3.31Å; E112-N194 WeakPolarHBondContact OE1-CB 3.19Å; E112-N194 PolarHBondContact OE1-ND2 3.13Å; E112-M195 VanDerWaalsContact CA-CE 3.42Å; E112-M195 HydrophobicContact CB-CE 4.12Å; E112-K249 IonicContact OE1-NZ 3.55Å |
| 113 | G | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 29.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y103 H111 L115 Y250 | Y103-G113 WeakPolarHBondContact CB-O 3.03Å; Y103-G113 WeakPolarHBondContact CD1-O 3.26Å; H111-G113 PolarHBondContact O-N 2.97Å; G113-L115 PolarHBondContact O-N 3.18Å; G113-Y250 WeakPolarHBondContact CA-OH 3.43Å; G113-Y250 PolarHBondContact N-OH 3.22Å |
| 114 | D | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -64.5 | 73.2 | 174.9 | -176.4 | 23.8 | 0 | 0 | 0 | 112.9 | A68 H69 Y106 H111 E112 S227 I244 | A68-D114 WeakPolarHBondContact CA-OD1 3.24Å; A68-D114 WeakPolarHBondContact CB-OD1 3.38Å; A68-D114 PolarHBondContact N-OD1 3.43Å; H69-D114 IonicContact CE1-OD2 3.98Å; H69-D114 PolarHBondContact CE1-OD2 3.02Å; H69-D114 IonicContact CG-OD1 3.77Å; H69-D114 IonicContact CG-OD2 3.8Å; H69-D114 PolarHBondContact N-OD1 3.44Å; H69-D114 VanDerWaalsContact ND1-CG 3.33Å; H69-D114 IonicContact ND1-OD1 3.72Å; H69-D114 PolarHBondContact ND1-OD1 3.5Å; H69-D114 IonicContact ND1-OD2 2.77Å; H69-D114 PolarHBondContact ND1-OD2 2.64Å; Y106-D114 VanDerWaalsContact CD2-CA 3.43Å; Y106-D114 HydrophobicContact CD2-CB 3.87Å; Y106-D114 HydrophobicContact CE2-CB 3.61Å; H111-D114 WeakPolarHBondContact O-CB 3.18Å; H111-D114 PolarHBondContact O-N 3.07Å; E112-D114 VanDerWaalsContact C-N 3.32Å; E112-D114 PolarHBondContact O-N 2.92Å; D114-S227 WeakPolarHBondContact CB-OG 3.41Å; D114-S227 WeakPolarHBondContact OD2-CB 3.37Å; D114-S227 PolarHBondContact OD2-OG 3.03Å; D114-I244 HydrophobicContact CB-CD1 3.96Å; D114-I244 HydrophobicContact CB-CG1 3.91Å | ||
| 115 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -136 | 141.5 | -177.1 | -69.5 | 172.6 | 0 | 0 | 0 | 110 | L65 Y103 G113 V225 I244 Y250 W253 | L65-L115 HydrophobicContact CD1-CD2 4.31Å; Y103-L115 WeakPolarHBondContact CB-O 3.39Å; Y103-L115 PolarHBondContact N-O 3.45Å; G113-L115 PolarHBondContact O-N 3.18Å; L115-V225 HydrophobicContact CD2-CB 3.62Å; L115-V225 HydrophobicContact CD2-CG1 4.03Å; L115-V225 HydrophobicContact CD2-CG2 3.53Å; L115-I244 HydrophobicContact CD1-CG2 3.77Å; L115-I244 HydrophobicContact CD2-CB 4.15Å; L115-I244 HydrophobicContact CD2-CG2 4.27Å; L115-I244 HydrophobicContact CG-CB 4.19Å; L115-I244 HydrophobicContact CG-CG1 4.49Å; L115-I244 HydrophobicContact CG-CG2 3.85Å; L115-Y250 HydrophobicContact CD1-CD1 3.59Å; L115-Y250 HydrophobicContact CD1-CD2 4.12Å; L115-Y250 HydrophobicContact CD1-CE1 4.17Å; L115-Y250 HydrophobicContact CD1-CG 3.55Å; L115-W253 HydrophobicContact CB-CH2 4.39Å; L115-W253 HydrophobicContact CB-CZ3 3.96Å | ||
| 116 | K | 98.9 | Very high | 98.1 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 3% | 0.03 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 136.2 | 173.9 | 174.2 | 163.1 | 63.8 | 177.8 | 0 | 111 | T66 A68 C70 E100 F101 P102 L118 | T66-K116 HydrophobicContact CG2-CB 4.25Å; T66-K116 PolarHBondContact N-O 2.94Å; T66-K116 PolarHBondContact O-N 2.78Å; A68-K116 HydrophobicContact CB-CB 4.32Å; A68-K116 PolarHBondContact O-NZ 2.84Å; C70-K116 WeakPolarHBondContact O-CE 3.23Å; C70-K116 PolarHBondContact O-NZ 2.99Å; E100-K116 HydrophobicContact CB-CD 4.24Å; E100-K116 WeakPolarHBondContact OE2-CD 3.48Å; E100-K116 WeakPolarHBondContact OE2-CE 3.28Å; E100-K116 IonicContact OE2-NZ 3.9Å; E100-K116 PolarHBondContact OE2-NZ 2.92Å; F101-K116 WeakPolarHBondContact O-CA 3.28Å; P102-K116 HydrophobicContact CB-CD 4.33Å; K116-L118 HydrophobicContact CD-CD2 4.1Å; K116-L118 HydrophobicContact CG-CD2 3.98Å |
| 117 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 137 | 169.1 | -75.1 | 171.7 | 0 | 0 | 0 | 109.8 | I59 W63 V64 L65 F101 W253 I254 T257 I258 | I59-L117 HydrophobicContact CD1-CD2 3.53Å; I59-L117 HydrophobicContact CG1-CD2 4.48Å; W63-L117 HydrophobicContact CE3-CB 3.98Å; W63-L117 HydrophobicContact CE3-CD1 4.36Å; W63-L117 HydrophobicContact CE3-CD2 4.32Å; W63-L117 HydrophobicContact CE3-CG 4.47Å; W63-L117 HydrophobicContact CZ3-CB 3.91Å; W63-L117 HydrophobicContact CZ3-CD1 4.28Å; V64-L117 CarbonylContact O-C 3.56Å; V64-L117 WeakPolarHBondContact O-CA 3.33Å; L65-L117 HydrophobicContact CB-CD2 4.17Å; L65-L117 HydrophobicContact CD1-CD2 3.78Å; L65-L117 HydrophobicContact CD1-CG 4.2Å; F101-L117 HydrophobicContact CB-CB 4.05Å; F101-L117 PolarHBondContact N-O 2.04Å; F101-L117 PolarHBondContact O-N 2.91Å; L117-W253 HydrophobicContact CB-CH2 4.25Å; L117-W253 HydrophobicContact CD1-CH2 3.97Å; L117-W253 HydrophobicContact CD1-CZ2 4.22Å; L117-W253 HydrophobicContact CD1-CZ3 4.26Å; L117-W253 HydrophobicContact CG-CH2 3.73Å; L117-W253 HydrophobicContact CG-CZ2 4.35Å; L117-W253 HydrophobicContact CG-CZ3 4.13Å; L117-I254 HydrophobicContact CD1-CB 4.43Å; L117-I254 HydrophobicContact CD1-CG1 4.45Å; L117-I254 HydrophobicContact CD1-CG2 4.25Å; L117-I254 HydrophobicContact CD2-CG2 4.3Å; L117-T257 HydrophobicContact CD1-CG2 3.71Å; L117-I258 HydrophobicContact CD1-CG1 4.42Å |
| 118 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 116.4 | 172 | -49.8 | 176.2 | 0 | 0 | 0 | 107.8 | L46 W63 V64 T66 L72 V78 V97 E100 K116 | L46-L118 HydrophobicContact CD1-CD1 4.21Å; L46-L118 HydrophobicContact CD2-CD1 3.9Å; W63-L118 WeakPolarHBondContact CA-O 3.17Å; V64-L118 HydrophobicContact CB-CB 4.23Å; V64-L118 HydrophobicContact CB-CD1 4.46Å; V64-L118 HydrophobicContact CG1-CD1 4.37Å; V64-L118 PolarHBondContact N-O 2.86Å; V64-L118 PolarHBondContact O-N 2.78Å; T66-L118 HydrophobicContact CG2-CD1 3.97Å; T66-L118 HydrophobicContact CG2-CD2 4.45Å; T66-L118 HydrophobicContact CG2-CG 4.02Å; L72-L118 HydrophobicContact CD1-CD2 4.3Å; L72-L118 HydrophobicContact CD2-CD1 3.98Å; L72-L118 HydrophobicContact CD2-CD2 4.1Å; V78-L118 HydrophobicContact CG2-CD1 4.27Å; V97-L118 HydrophobicContact CG1-CB 4.3Å; V97-L118 HydrophobicContact CG1-CD2 4.35Å; V97-L118 HydrophobicContact CG2-CB 4.16Å; V97-L118 HydrophobicContact CG2-CD1 4.17Å; V97-L118 HydrophobicContact CG2-CD2 4.48Å; E100-L118 HydrophobicContact CB-CD2 4.47Å; E100-L118 HydrophobicContact CG-CD2 3.79Å; K116-L118 HydrophobicContact CD-CD2 4.1Å; K116-L118 HydrophobicContact CG-CD2 3.98Å |
| 119 | Q | 98.6 | Very high | 98.2 | Very high | 13 Ų | 13 | 54.9 Ų | 54.9 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 125.9 | 167.9 | -172.5 | 178.8 | 37.5 | 0 | 0 | 108.2 | D62 W63 K98 K99 F101 | D62-Q119 CarbonylContact O-C 3.56Å; D62-Q119 WeakPolarHBondContact O-CA 3.08Å; W63-Q119 HydrophobicContact CD2-CB 4.49Å; W63-Q119 HydrophobicContact CE3-CB 4.22Å; W63-Q119 HydrophobicContact CH2-CB 3.79Å; W63-Q119 HydrophobicContact CH2-CG 4.1Å; W63-Q119 HydrophobicContact CZ2-CB 4.02Å; W63-Q119 HydrophobicContact CZ2-CG 3.82Å; W63-Q119 HydrophobicContact CZ3-CB 3.89Å; K98-Q119 WeakPolarHBondContact CB-O 3.42Å; K98-Q119 HydrophobicContact CD-CG 4.41Å; K98-Q119 PolarHBondContact N-O 2.88Å; K99-Q119 PolarHBondContact N-O 2.89Å; K99-Q119 PolarHBondContact O-N 3.46Å; F101-Q119 HydrophobicContact CD2-CB 4.5Å; F101-Q119 HydrophobicContact CE2-CB 3.89Å |
| 120 | L | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 155.2 | 180 | -53.3 | -176.3 | 0 | 0 | 0 | 111 | L58 D62 V64 V78 M95 R96 E122 | L58-L120 HydrophobicContact CD1-CD1 4.38Å; D62-L120 HydrophobicContact CB-CB 4.37Å; D62-L120 PolarHBondContact O-N 2.98Å; V64-L120 HydrophobicContact CG2-CD1 4.24Å; V64-L120 HydrophobicContact CG2-CD2 4.16Å; V64-L120 HydrophobicContact CG2-CG 4.46Å; V78-L120 HydrophobicContact CB-CD2 4.17Å; V78-L120 HydrophobicContact CG1-CD2 3.92Å; V78-L120 HydrophobicContact CG2-CD2 4.01Å; M95-L120 HydrophobicContact CB-CD1 4.18Å; M95-L120 HydrophobicContact CB-CD2 4.4Å; M95-L120 HydrophobicContact CE-CB 4.48Å; M95-L120 HydrophobicContact CE-CD1 4.09Å; M95-L120 HydrophobicContact CG-CD1 4.22Å; R96-L120 WeakPolarHBondContact O-CA 3.4Å; L120-E122 VanDerWaalsContact C-N 3.25Å; L120-E122 WeakPolarHBondContact CB-O 3.24Å; L120-E122 PolarHBondContact O-N 2.88Å |
| 121 | T | 97.4 | Very high | 98.5 | Very high | 71 Ų | 71 | 50.4 Ų | 50.4 | 44% | 0.436 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -67.6 | -29.3 | 176.2 | 51.9 | 0 | 0 | 0 | 0 | 112.8 | R96 K98 | R96-T121 HydrophobicContact CB-CG2 3.93Å; R96-T121 PolarHBondContact O-N 3.23Å; R96-T121 PolarHBondContact O-OG1 3.48Å; K98-T121 HydrophobicContact CB-CG2 3.95Å |
| 122 | E | 97.8 | Very high | 98.6 | Very high | 140 Ų | 140 | 50.2 Ų | 50.2 | 65% | 0.654 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -139.1 | 161.3 | -178.6 | -63 | 179.9 | -174.3 | 0 | 0 | 109.2 | M95 L120 | M95-E122 HydrophobicContact CE-CB 4.15Å; M95-E122 WeakPolarHBondContact CE-O 3.46Å; L120-E122 VanDerWaalsContact C-N 3.25Å; L120-E122 WeakPolarHBondContact CB-O 3.24Å; L120-E122 PolarHBondContact O-N 2.88Å |
| 123 | K | 98.6 | Very high | 98.6 | Very high | 127 Ų | 127 | 48.6 Ų | 48.6 | 55% | 0.552 | 23% | 0.231 | S | C | * | . | trans | -76.7 | 137.2 | 174.3 | -73.1 | 174.3 | 160.2 | -139.3 | 0 | 110.9 | E61 D62 | E61-K123 HydrophobicContact CB-CB 4.01Å; E61-K123 HydrophobicContact CB-CD 4.44Å; E61-K123 HydrophobicContact CB-CG 4.01Å; E61-K123 VanDerWaalsContact OE2-CD 3.3Å; E61-K123 WeakPolarHBondContact OE2-CD 3.46Å; E61-K123 WeakPolarHBondContact OE2-CE 3.32Å; E61-K123 IonicContact OE2-NZ 2.74Å; E61-K123 PolarHBondContact OE2-NZ 3.13Å; D62-K123 HydrophobicContact CB-CG 4.07Å | ||
| 124 | A | 98.7 | Very high | 98.6 | Very high | 5 Ų | 5 | 55.6 Ų | 55.6 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | trans | -63.8 | 141.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L58 E61 L80 I126 V130 | L58-A124 HydrophobicContact CD2-CB 4.11Å; E61-A124 VanDerWaalsContact O-CB 3.22Å; E61-A124 WeakPolarHBondContact O-CB 3.44Å; E61-A124 PolarHBondContact O-N 2.78Å; L80-A124 HydrophobicContact CD1-CB 3.4Å; A124-I126 HydrophobicContact CB-CD1 4.36Å; A124-I126 PolarHBondContact O-N 2.89Å; A124-V130 HydrophobicContact CB-CG1 4.23Å | ||
| 125 | K | 98.8 | Very high | 98.6 | Very high | 164 Ų | 164 | 57.8 Ų | 57.8 | 71% | 0.713 | 28% | 0.275 | S | S | * | . | trans | -81.8 | 96.7 | 172.6 | -62.6 | 179.8 | -177 | 177.2 | 0 | 108.9 | Q93 N127 | Q93-K125 PolarHBondContact NE2-O 2.89Å; K125-N127 PolarHBondContact O-N 2.84Å; K125-N127 PolarHBondContact O-ND2 2.9Å | ||
| 126 | I | 98.8 | Very high | 98.6 | Very high | 74 Ų | 74 | 58.4 Ų | 58.4 | 38% | 0.379 | 28% | 0.279 | S | S | . | . | trans | -62.5 | 129.6 | -179.8 | -55.6 | -53.5 | 0 | 0 | 0 | 110.4 | L58 E61 A124 V130 I132 | L58-I126 HydrophobicContact CD2-CD1 4.04Å; E61-I126 HydrophobicContact CG-CD1 4.32Å; E61-I126 HydrophobicContact CG-CG1 4.01Å; A124-I126 HydrophobicContact CB-CD1 4.36Å; A124-I126 PolarHBondContact O-N 2.89Å; I126-V130 WeakPolarHBondContact CA-O 3.41Å; I126-V130 HydrophobicContact CD1-CG1 4.4Å; I126-V130 WeakPolarHBondContact CG2-O 3.22Å; I126-I132 HydrophobicContact CD1-CD1 4.22Å; I126-I132 HydrophobicContact CD1-CG1 4.02Å; I126-I132 HydrophobicContact CG1-CD1 4.5Å | ||
| 127 | N | 98.6 | Very high | 98.3 | Very high | 66 Ų | 66 | 68.3 Ų | 68.3 | 35% | 0.353 | 32% | 0.322 | S | S | . | . | B | Isolated β-bridge | trans | -157.1 | -169.5 | -179.8 | 65.6 | 47.8 | 0 | 0 | 0 | 110.5 | Q93 K125 Y129 V130 | Q93-N127 PolarHBondContact NE2-ND2 2.75Å; K125-N127 PolarHBondContact O-N 2.84Å; K125-N127 PolarHBondContact O-ND2 2.9Å; N127-Y129 PolarHBondContact O-N 3.32Å; N127-Y129 VanDerWaalsContact O-N 3.14Å; N127-Y129 WeakPolarHBondContact OD1-CA 3.24Å; N127-Y129 WeakPolarHBondContact OD1-CB 3.28Å; N127-Y129 PolarHBondContact OD1-N 2.92Å; N127-V130 PolarHBondContact N-O 2.8Å; N127-V130 CarbonylContact O-C 3.44Å; N127-V130 PolarHBondContact O-N 2.54Å; N127-V130 PolarHBondContact OD1-N 2.91Å; N127-V130 VanDerWaalsContact OD1-N 3.12Å |
| 128 | K | 98.6 | Very high | 98.1 | Very high | 166 Ų | 166 | 75 Ų | 75 | 72% | 0.722 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -28.2 | 180 | -176.9 | -179.7 | 173.6 | -171.6 | 0 | 114 | ||
| 129 | Y | 98.7 | Very high | 98 | Very high | 78 Ų | 78 | 76 Ų | 76 | 31% | 0.306 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -10.8 | -173.1 | -45.1 | -62 | 0 | 0 | 0 | 113.2 | H38 P41 G81 E91 N127 | H38-Y129 HydrophobicContact CB-CD1 3.6Å; H38-Y129 HydrophobicContact CB-CE1 4.43Å; H38-Y129 HydrophobicContact CB-CG 4.32Å; H38-Y129 AromaticContact CG-CD1 3.96Å; P41-Y129 WeakPolarHBondContact CA-O 3.33Å; P41-Y129 VanDerWaalsContact CB-O 3.28Å; P41-Y129 WeakPolarHBondContact CB-O 3.5Å; G81-Y129 WeakPolarHBondContact CA-O 3.32Å; E91-Y129 HydrophobicContact CB-CD2 4.04Å; E91-Y129 HydrophobicContact CB-CG 4.13Å; E91-Y129 HydrophobicContact CG-CD1 4.23Å; E91-Y129 HydrophobicContact CG-CD2 3.35Å; E91-Y129 HydrophobicContact CG-CE1 4.49Å; E91-Y129 HydrophobicContact CG-CE2 3.66Å; E91-Y129 HydrophobicContact CG-CG 3.64Å; N127-Y129 PolarHBondContact O-N 3.32Å; N127-Y129 VanDerWaalsContact O-N 3.14Å; N127-Y129 WeakPolarHBondContact OD1-CA 3.24Å; N127-Y129 WeakPolarHBondContact OD1-CB 3.28Å; N127-Y129 PolarHBondContact OD1-N 2.92Å |
| 130 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -133.2 | 107.5 | 178 | -179 | 0 | 0 | 0 | 0 | 109.1 | P41 L58 L80 Q93 A124 I126 N127 | P41-V130 CarbonylContact O-C 3.54Å; P41-V130 VanDerWaalsContact O-CA 3.31Å; P41-V130 WeakPolarHBondContact O-CA 3.3Å; L58-V130 HydrophobicContact CD2-CG1 3.76Å; L80-V130 HydrophobicContact CB-CG1 4.04Å; L80-V130 HydrophobicContact CB-CG2 4.02Å; L80-V130 HydrophobicContact CD1-CG1 4.03Å; Q93-V130 HydrophobicContact CG-CG2 4.49Å; A124-V130 HydrophobicContact CB-CG1 4.23Å; I126-V130 WeakPolarHBondContact CA-O 3.41Å; I126-V130 HydrophobicContact CD1-CG1 4.4Å; I126-V130 WeakPolarHBondContact CG2-O 3.22Å; N127-V130 PolarHBondContact N-O 2.8Å; N127-V130 CarbonylContact O-C 3.44Å; N127-V130 PolarHBondContact O-N 2.54Å; N127-V130 PolarHBondContact OD1-N 2.91Å; N127-V130 VanDerWaalsContact OD1-N 3.12Å |
| 131 | T | 98.9 | Very high | 97.9 | Very high | 41 Ų | 41 | 82.7 Ų | 82.7 | 25% | 0.252 | 40% | 0.398 | S | S | . | . | trans | -130.9 | 159.2 | -176.6 | 63.4 | 0 | 0 | 0 | 0 | 112 | P41 Y42 | P41-T131 HydrophobicContact CB-CG2 3.85Å; P41-T131 HydrophobicContact CG-CG2 3.74Å; P41-T131 VanDerWaalsContact CG-OG1 3.31Å; P41-T131 WeakPolarHBondContact CG-OG1 3.11Å; P41-T131 PolarHBondContact O-N 3.3Å; Y42-T131 VanDerWaalsContact CA-O 3.27Å; Y42-T131 WeakPolarHBondContact CA-O 3.27Å; Y42-T131 WeakPolarHBondContact CB-O 3.37Å; Y42-T131 PolarHBondContact N-OG1 2.81Å | ||
| 132 | I | 98.9 | Very high | 97.9 | Very high | 50 Ų | 50 | 79.9 Ų | 79.9 | 26% | 0.256 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -86.6 | 124.6 | 175.3 | -67.2 | 163.6 | 0 | 0 | 0 | 110.7 | L58 I59 E61 I126 H134 | L58-I132 HydrophobicContact CD2-CG1 4.46Å; L58-I132 CarbonylContact O-C 3.51Å; L58-I132 WeakPolarHBondContact O-CA 3.04Å; I59-I132 VanDerWaalsContact O-CG2 3.26Å; I59-I132 WeakPolarHBondContact O-CG2 3.32Å; E61-I132 HydrophobicContact CG-CD1 4.07Å; I126-I132 HydrophobicContact CD1-CD1 4.22Å; I126-I132 HydrophobicContact CD1-CG1 4.02Å; I126-I132 HydrophobicContact CG1-CD1 4.5Å; I132-H134 PolarHBondContact O-ND1 2.79Å; I132-H134 VanDerWaalsContact O-ND1 3.09Å |
| 133 | L | 98.8 | Very high | 98 | Very high | 16 Ų | 16 | 80.9 Ų | 80.9 | 8% | 0.084 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 122.3 | 166.7 | -175.6 | 63 | 0 | 0 | 0 | 109.8 | Y42 A57 L58 P215 L217 F222 | Y42-L133 HydrophobicContact CD1-CD1 4.19Å; Y42-L133 HydrophobicContact CD2-CB 4.23Å; Y42-L133 HydrophobicContact CD2-CD1 4.48Å; Y42-L133 HydrophobicContact CD2-CD2 3.88Å; Y42-L133 HydrophobicContact CD2-CG 4.44Å; Y42-L133 HydrophobicContact CE1-CD1 4.38Å; Y42-L133 HydrophobicContact CE2-CD2 4.18Å; Y42-L133 HydrophobicContact CG-CB 3.88Å; Y42-L133 HydrophobicContact CG-CD1 4.23Å; Y42-L133 HydrophobicContact CG-CD2 4.31Å; Y42-L133 HydrophobicContact CG-CG 4.38Å; A57-L133 HydrophobicContact CB-CB 4.48Å; A57-L133 HydrophobicContact CB-CD2 3.91Å; L58-L133 PolarHBondContact O-N 3.11Å; L133-P215 HydrophobicContact CD2-CB 3.64Å; L133-P215 HydrophobicContact CD2-CG 4.04Å; L133-L217 HydrophobicContact CD1-CD1 4.36Å; L133-L217 HydrophobicContact CD1-CD2 4.15Å; L133-L217 HydrophobicContact CD2-CD2 3.86Å; L133-F222 HydrophobicContact CD1-CB 4.38Å; L133-F222 HydrophobicContact CD2-CB 3.91Å; L133-F222 HydrophobicContact CD2-CD1 3.34Å; L133-F222 HydrophobicContact CD2-CD2 4.11Å; L133-F222 HydrophobicContact CD2-CE1 3.74Å; L133-F222 HydrophobicContact CD2-CE2 4.45Å; L133-F222 HydrophobicContact CD2-CG 3.54Å; L133-F222 HydrophobicContact CD2-CZ 4.28Å; L133-F222 HydrophobicContact CG-CB 4.02Å; L133-F222 HydrophobicContact CG-CD1 3.66Å; L133-F222 HydrophobicContact CG-CE1 4.34Å; L133-F222 HydrophobicContact CG-CG 4.04Å |
| 134 | H | 98.6 | Very high | 97.9 | Very high | 147 Ų | 147 | 77.6 Ų | 77.6 | 68% | 0.681 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -78.5 | 136.5 | -174.9 | -67.1 | 51.1 | 0 | 0 | 0 | 110.8 | I132 | I132-H134 PolarHBondContact O-ND1 2.79Å; I132-H134 VanDerWaalsContact O-ND1 3.09Å |
| 135 | L | 98.6 | Very high | 97.9 | Very high | 45 Ų | 45 | 80 Ų | 80 | 24% | 0.236 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 147.7 | 170.3 | -64.7 | 173.6 | 0 | 0 | 0 | 110.5 | I59 F222 L246 L251 I254 I255 | I59-L135 HydrophobicContact CD1-CD2 4.49Å; I59-L135 HydrophobicContact CG2-CD2 4.28Å; L135-F222 HydrophobicContact CD2-CD1 4.5Å; L135-L246 HydrophobicContact CD2-CD1 4.44Å; L135-L251 HydrophobicContact CB-CD2 4.2Å; L135-L251 HydrophobicContact CD2-CD2 4.35Å; L135-I254 HydrophobicContact CD1-CB 4.44Å; L135-I254 HydrophobicContact CD1-CG2 3.58Å; L135-I254 HydrophobicContact CD2-CD1 4.22Å; L135-I254 HydrophobicContact CD2-CG2 4.42Å; L135-I255 HydrophobicContact CD1-CG1 4.45Å |
| 136 | P | 97.5 | Very high | 97.9 | Very high | 13 Ų | 13 | 73.4 Ų | 73.4 | 8% | 0.084 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 141.2 | 176.7 | 28.7 | -35.6 | 0 | 0 | 0 | 110.7 | K138 V221 F222 L246 L251 | P136-K138 PolarHBondContact O-N 2.8Å; P136-V221 HydrophobicContact CB-CG1 3.92Å; P136-F222 VanDerWaalsContact CD-O 3.28Å; P136-F222 WeakPolarHBondContact CD-O 3.43Å; P136-F222 VanDerWaalsContact CG-O 3.24Å; P136-F222 WeakPolarHBondContact CG-O 3.35Å; P136-L246 HydrophobicContact CG-CB 3.98Å; P136-L246 HydrophobicContact CG-CD1 4.12Å; P136-L251 HydrophobicContact CG-CD1 4.02Å; P136-L251 HydrophobicContact CG-CD2 3.84Å; P136-L251 HydrophobicContact CG-CG 4.49Å |
| 137 | K | 93.8 | Very high | 97.9 | Very high | 215 Ų | 215 | 75.9 Ų | 75.9 | 94% | 0.935 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -63.9 | -28.3 | 179 | -66 | -175.7 | 179.5 | 179.8 | 0 | 113 | ||
| 138 | K | 95.1 | Very high | 97.9 | Very high | 140 Ų | 140 | 72.8 Ų | 72.8 | 61% | 0.609 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -135.8 | 140.8 | 179.2 | -64.1 | -177.4 | -179.1 | -179.2 | 0 | 108.7 | P136 D140 | P136-K138 PolarHBondContact O-N 2.8Å; K138-D140 WeakPolarHBondContact CB-OD2 3.39Å; K138-D140 PolarHBondContact O-N 3.31Å |
| 139 | G | 95.8 | Very high | 97.9 | Very high | 22 Ų | 22 | 67.5 Ų | 67.5 | 23% | 0.227 | 35% | 0.346 | C | S | . | . | trans | -84.9 | 50.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L246 | G139-L246 WeakPolarHBondContact CA-O 3.18Š| ||
| 140 | D | 96.8 | Very high | 97.9 | Very high | 81 Ų | 81 | 64 Ų | 64 | 43% | 0.433 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 143.3 | 178 | -53.3 | -38.8 | 0 | 0 | 0 | 110 | K138 R223 | K138-D140 WeakPolarHBondContact CB-OD2 3.39Å; K138-D140 PolarHBondContact O-N 3.31Å; D140-R223 PolarHBondContact O-NH1 3.22Å; D140-R223 VanDerWaalsContact O-NH1 3.15Å |
| 141 | D | 98.1 | Very high | 97.8 | Very high | 76 Ų | 76 | 64 Ų | 64 | 41% | 0.406 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 158.2 | 170.8 | -161.1 | 12 | 0 | 0 | 0 | 111 | R176 V196 L245 | D141-R176 VanDerWaalsContact CG-NH2 3.34Å; D141-R176 IonicContact OD1-CZ 3.85Å; D141-R176 IonicContact OD1-NH2 3.25Å; D141-R176 PolarHBondContact OD1-NH2 2.83Å; D141-R176 IonicContact OD2-CZ 2.76Å; D141-R176 IonicContact OD2-NH1 3.75Å; D141-R176 PolarHBondContact OD2-NH1 3.26Å; D141-R176 IonicContact OD2-NH2 3.61Å; D141-R176 PolarHBondContact OD2-NH2 2.92Å; D141-R176 VanDerWaalsContact OD2-NH2 3.08Å; D141-V196 WeakPolarHBondContact OD1-CG1 3.13Å; D141-L245 HydrophobicContact CB-CD2 4.31Å |
| 142 | V | 98.2 | Very high | 97.8 | Very high | 11 Ų | 11 | 62.1 Ų | 62.1 | 7% | 0.067 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -100.5 | 127.6 | -179.5 | -162.6 | 0 | 0 | 0 | 0 | 109.4 | T146 I173 C218 R223 L245 | V142-T146 HydrophobicContact CG1-CG2 3.8Å; V142-I173 HydrophobicContact CB-CD1 4.03Å; V142-I173 HydrophobicContact CB-CG1 4.02Å; V142-I173 HydrophobicContact CG1-CD1 4.08Å; V142-I173 HydrophobicContact CG1-CG1 3.66Å; V142-C218 HydrophobicContact CG1-CB 4.14Å; V142-R223 HydrophobicContact CG2-CB 3.76Å; V142-R223 HydrophobicContact CG2-CG 3.73Å; V142-L245 HydrophobicContact CG2-CD1 4.21Å |
| 143 | K | 98.4 | Very high | 97.7 | Very high | 162 Ų | 162 | 59.8 Ų | 59.8 | 70% | 0.704 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 136.8 | -177.9 | -171.4 | -177.3 | 175.3 | -177.6 | 0 | 110.6 | T146 | K143-T146 VanDerWaalsContact O-CB 3.22Å; K143-T146 WeakPolarHBondContact O-CB 3.44Å; K143-T146 PolarHBondContact O-N 2.98Å; K143-T146 VanDerWaalsContact O-N 3.12Å; K143-T146 PolarHBondContact O-OG1 2.95Å |
| 144 | P | 98.6 | Very high | 97.3 | Very high | 57 Ų | 57 | 59 Ų | 59 | 37% | 0.37 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 141.7 | 169.5 | -26.1 | 35.3 | 0 | 0 | 0 | 112.3 | T146 D175 | P144-T146 VanDerWaalsContact C-N 3.3Å; P144-D175 HydrophobicContact CB-CB 3.99Å; P144-D175 HydrophobicContact CG-CB 3.87Å; P144-D175 WeakPolarHBondContact CG-OD2 3.12Å |
| 145 | G | 98.2 | Very high | 96.9 | Very high | 55 Ų | 55 | 55.6 Ų | 55.6 | 57% | 0.567 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | -5.8 | -174 | 0 | 0 | 0 | 0 | 0 | 114.8 | M147 T172 I173 | G145-M147 PolarHBondContact O-N 3.46Å; G145-T172 VanDerWaalsContact CA-CG2 3.45Å; G145-I173 PolarHBondContact N-O 3.25Å |
| 146 | T | 98.6 | Very high | 96 | Very high | 26 Ų | 26 | 55.3 Ų | 55.3 | 16% | 0.16 | 28% | 0.284 | C | S | . | . | trans | -67.8 | 130.2 | 174.6 | -57.3 | 0 | 0 | 0 | 0 | 110 | V142 K143 P144 T172 I173 C218 | V142-T146 HydrophobicContact CG1-CG2 3.8Å; K143-T146 VanDerWaalsContact O-CB 3.22Å; K143-T146 WeakPolarHBondContact O-CB 3.44Å; K143-T146 PolarHBondContact O-N 2.98Å; K143-T146 VanDerWaalsContact O-N 3.12Å; K143-T146 PolarHBondContact O-OG1 2.95Å; P144-T146 VanDerWaalsContact C-N 3.3Å; T146-T172 WeakPolarHBondContact O-CA 3.36Å; T146-I173 PolarHBondContact O-N 2.97Å; T146-C218 HydrophobicContact CG2-CB 4.06Å | ||
| 147 | M | 98.2 | Very high | 94.9 | Very high | 127 Ų | 127 | 58.8 Ų | 58.8 | 63% | 0.626 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 137.5 | 172.2 | -67.1 | -169.2 | -62.2 | 0 | 0 | 110.9 | G145 | G145-M147 PolarHBondContact O-N 3.46Å |
| 148 | C | 98.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 165.8 | 178.9 | -51.6 | 0 | 0 | 0 | 0 | 110.2 | N170 I171 I173 L216 L217 C218 | C148-N170 WeakPolarHBondContact O-CA 3.21Å; C148-I171 HydrophobicContact CB-CG1 4.27Å; C148-I171 PolarHBondContact N-O 2.89Å; C148-I171 PolarHBondContact O-N 2.92Å; C148-I171 VanDerWaalsContact O-O 3.07Å; C148-I173 VanDerWaalsContact SG-CG1 3.6Å; C148-L216 HydrophobicContact CB-CD1 3.64Å; C148-L216 HydrophobicContact CB-CG 4.24Å; C148-L217 CarbonylContact C-O 3.58Å; C148-L217 WeakPolarHBondContact CA-O 3.34Å; C148-L217 WeakPolarHBondContact CB-O 3.47Å; C148-C218 HydrophobicContact CB-CB 4.01Å; C148-C218 WeakPolarHBondContact CB-SG 3.37Å; C148-C218 WeakPolarHBondContact SG-CB 3.29Å; C148-C218 CovalentContact SG-SG 2.04Å; C148-C218 PolarHBondContact SG-SG 3.35Å |
| 149 | Q | 98.3 | Very high | 92.4 | Very high | 56 Ų | 56 | 49.9 Ų | 49.9 | 26% | 0.262 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 145.5 | 172.7 | -62.4 | 97.8 | -0.7 | 0 | 0 | 110.4 | E168 V169 N170 L217 | Q149-E168 HydrophobicContact CB-CG 3.92Å; Q149-E168 HydrophobicContact CG-CG 4.32Å; Q149-V169 WeakPolarHBondContact CA-O 3.41Å; Q149-N170 VanDerWaalsContact CG-OD1 3.23Å; Q149-N170 WeakPolarHBondContact CG-OD1 3.46Å; Q149-N170 PolarHBondContact NE2-OD1 2.87Å; Q149-L217 PolarHBondContact N-O 2.8Å; Q149-L217 PolarHBondContact O-N 3.46Å; Q149-L217 PolarHBondContact OE1-O 2.89Å |
| 150 | V | 98.2 | Very high | 91.3 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.018 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 135 | 165.6 | 62.9 | 0 | 0 | 0 | 0 | 107.9 | E168 V169 I171 S214 Y243 | V150-E168 WeakPolarHBondContact O-CA 3.17Å; V150-V169 HydrophobicContact CG1-CG1 3.46Å; V150-V169 VanDerWaalsContact CG1-CG1 3.46Å; V150-V169 PolarHBondContact N-O 3.04Å; V150-V169 PolarHBondContact O-N 2.85Å; V150-I171 HydrophobicContact CB-CD1 4.31Å; V150-I171 HydrophobicContact CG1-CD1 3.78Å; V150-S214 WeakPolarHBondContact CG2-OG 3.4Å; V150-Y243 HydrophobicContact CB-CE1 4.33Å; V150-Y243 HydrophobicContact CG2-CE1 4.11Å |
| 151 | A | 98.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 2% | 0.017 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 150.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | M43 L166 R167 E168 S214 | M43-A151 HydrophobicContact CE-CB 4.27Å; M43-A151 WeakPolarHBondContact CE-O 2.99Å; M43-A151 HydrophobicContact CG-CB 4.48Å; M43-A151 HydrophobicContact SD-CB 4.17Å; A151-L166 HydrophobicContact CB-CD1 4.14Å; A151-R167 CarbonylContact C-O 3.59Å; A151-R167 WeakPolarHBondContact CA-O 3.39Å; A151-R167 WeakPolarHBondContact CB-O 3.42Å; A151-E168 HydrophobicContact CB-CB 4.05Å; A151-E168 HydrophobicContact CB-CG 4.3Å; A151-S214 WeakPolarHBondContact O-CB 3.47Å; A151-S214 PolarHBondContact O-OG 2Å |
| 152 | G | 97.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.3 | -177.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R167 D211 | G152-R167 PolarHBondContact N-O 3.13Å; G152-R167 PolarHBondContact O-N 3.47Å; G152-D211 VanDerWaalsContact CA-OD1 3.24Å; G152-D211 WeakPolarHBondContact CA-OD1 3.44Å |
| 153 | W | 97.1 | Very high | 89.4 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -111.6 | 11.8 | -179.6 | -66.4 | -90.6 | 0 | 0 | 0 | 111.7 | M43 L45 I53 A82 H83 I85 Q162 S163 L166 D211 | M43-W153 HydrophobicContact CB-CH2 3.92Å; M43-W153 HydrophobicContact CB-CZ3 4.26Å; M43-W153 HydrophobicContact CE-CZ3 4.01Å; L45-W153 HydrophobicContact CB-CD2 4.46Å; L45-W153 HydrophobicContact CB-CE3 4.06Å; L45-W153 HydrophobicContact CB-CH2 3.98Å; L45-W153 HydrophobicContact CB-CZ2 4.38Å; L45-W153 HydrophobicContact CB-CZ3 3.8Å; L45-W153 HydrophobicContact CD1-CD2 4.12Å; L45-W153 HydrophobicContact CD1-CE3 3.98Å; L45-W153 HydrophobicContact CD1-CG 4.37Å; I53-W153 HydrophobicContact CD1-CB 3.68Å; I53-W153 WeakPolarHBondContact CD1-O 3.34Å; A82-W153 HydrophobicContact CB-CZ2 4.16Å; A82-W153 WeakPolarHBondContact O-CZ2 3.44Å; H83-W153 PolarHBondContact O-NE1 2.87Å; I85-W153 HydrophobicContact CD1-CB 4.01Å; I85-W153 HydrophobicContact CD1-CG 4.28Å; I85-W153 HydrophobicContact CG1-CB 4.39Å; I85-W153 HydrophobicContact CG1-CG 4.12Å; W153-Q162 WeakPolarHBondContact O-CB 3.23Å; W153-S163 PolarHBondContact O-N 3.44Å; W153-L166 HydrophobicContact CD2-CB 4.48Å; W153-L166 HydrophobicContact CD2-CD1 3.89Å; W153-L166 HydrophobicContact CE3-CD1 3.93Å; W153-L166 HydrophobicContact CH2-CD1 3.82Å; W153-L166 HydrophobicContact CH2-CD2 4.25Å; W153-L166 HydrophobicContact CH2-CG 4.44Å; W153-L166 HydrophobicContact CZ2-CB 3.76Å; W153-L166 HydrophobicContact CZ2-CD1 3.77Å; W153-L166 HydrophobicContact CZ2-CD2 4.09Å; W153-L166 HydrophobicContact CZ2-CG 4.08Å; W153-L166 HydrophobicContact CZ3-CD1 3.89Å; W153-D211 PolarHBondContact N-OD1 2.92Å |
| 154 | G | 92.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -61.5 | -179.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S163 D209 D211 | G154-S163 PolarHBondContact O-N 2.87Å; G154-S163 VanDerWaalsContact O-N 3.13Å; G154-D209 CarbonylContact C-O 3.43Å; G154-D209 WeakPolarHBondContact CA-O 3.01Å; G154-D211 VanDerWaalsContact CA-OD1 3.28Å; G154-D211 WeakPolarHBondContact CA-OD1 3.29Å; G154-D211 PolarHBondContact N-OD1 3Å | ||
| 155 | R | 88.4 | Confident | 89.1 | Confident | 74 Ų | 74 | 43 Ų | 43 | 28% | 0.279 | 25% | 0.248 | S | C | . | . | B | Isolated β-bridge | trans | -61.3 | 140.7 | -179.5 | -73.1 | -172 | 178.9 | 148.1 | 11.3 | 112 | A160 C208 D209 | R155-A160 HydrophobicContact CB-CB 4.49Å; R155-A160 VanDerWaalsContact CD-O 3.22Å; R155-A160 WeakPolarHBondContact CD-O 3.39Å; R155-A160 WeakPolarHBondContact CG-O 3.34Å; R155-A160 PolarHBondContact NE-O 3.03Å; R155-A160 VanDerWaalsContact NE-O 3.13Å; R155-C208 HydrophobicContact CB-CB 4.33Å; R155-D209 HydrophobicContact CG-CB 4.21Å; R155-D209 IonicContact CZ-OD2 3.34Å; R155-D209 PolarHBondContact N-O 3.28Å; R155-D209 IonicContact NH1-OD2 3.62Å; R155-D209 PolarHBondContact NH1-OD2 3.36Å; R155-D209 IonicContact NH2-OD2 2.74Å |
| 156 | I | 81 | Confident | 89.1 | Confident | 39 Ų | 39 | 40.5 Ų | 40.5 | 20% | 0.2 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -89.3 | -17.1 | 179.9 | 56.9 | 167.1 | 0 | 0 | 0 | 114.3 | E27 E28 A160 | E27-I156 WeakPolarHBondContact O-CD1 3.28Å; E28-I156 VanDerWaalsContact C-CB 3.48Å; E28-I156 CarbonylContact O-C 3.49Å; E28-I156 WeakPolarHBondContact O-CA 3.16Å; E28-I156 WeakPolarHBondContact O-CB 3.48Å; E28-I156 VanDerWaalsContact O-CG2 3.26Å; E28-I156 WeakPolarHBondContact O-CG2 3.11Å; I156-A160 HydrophobicContact CD1-CB 4.48Å; I156-A160 HydrophobicContact CG1-CB 3.5Å |
| 157 | H | 74.3 | Confident | 89 | Confident | 86 Ų | 86 | 40.7 Ų | 40.7 | 40% | 0.398 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -157.5 | 163.9 | 168.9 | 56.7 | -93.6 | 0 | 0 | 0 | 108.1 | S159 A160 | H157-S159 PolarHBondContact CD2-OG 2.93Å; H157-S159 PolarHBondContact NE2-OG 3.05Å; H157-S159 PolarHBondContact O-N 3.29Å; H157-A160 HydrophobicContact CB-CB 4.45Å; H157-A160 PolarHBondContact CD2-N 3.11Å; H157-A160 WeakPolarHBondContact CE1-CB 3.44Å; H157-A160 WeakPolarHBondContact ND1-CB 3.1Å; H157-A160 VanDerWaalsContact NE2-CA 3.29Å; H157-A160 WeakPolarHBondContact NE2-CA 3.47Å; H157-A160 WeakPolarHBondContact NE2-CB 3.22Å; H157-A160 PolarHBondContact NE2-N 3.08Å; H157-A160 VanDerWaalsContact O-CB 3.24Å; H157-A160 WeakPolarHBondContact O-CB 3.25Å; H157-A160 PolarHBondContact O-N 2.98Å |
| 158 | N | 69.9 | Low | 89 | Confident | 60 Ų | 60 | 36 Ų | 36 | 32% | 0.321 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -26.7 | -171.2 | -73.4 | -57.9 | 0 | 0 | 0 | 114.1 | N232 R233 C234 | N158-N232 PolarHBondContact OD1-O 3.14Å; N158-R233 PolarHBondContact OD1-N 2.93Å; N158-C234 PolarHBondContact ND2-O 3.3Å; N158-C234 VanDerWaalsContact ND2-O 3.14Å; N158-C234 PolarHBondContact OD1-N 3.26Å |
| 159 | S | 66.5 | Low | 88.9 | Confident | 109 Ų | 109 | 36.1 Ų | 36.1 | 76% | 0.762 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 5.6 | 174.7 | 57 | 0 | 0 | 0 | 0 | 115.1 | H157 | H157-S159 PolarHBondContact CD2-OG 2.93Å; H157-S159 PolarHBondContact NE2-OG 3.05Å; H157-S159 PolarHBondContact O-N 3.29Å |
| 160 | A | 71.4 | Confident | 88.8 | Confident | 11 Ų | 11 | 37.7 Ų | 37.7 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -81.9 | 161.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R155 I156 H157 | R155-A160 HydrophobicContact CB-CB 4.49Å; R155-A160 VanDerWaalsContact CD-O 3.22Å; R155-A160 WeakPolarHBondContact CD-O 3.39Å; R155-A160 WeakPolarHBondContact CG-O 3.34Å; R155-A160 PolarHBondContact NE-O 3.03Å; R155-A160 VanDerWaalsContact NE-O 3.13Å; I156-A160 HydrophobicContact CD1-CB 4.48Å; I156-A160 HydrophobicContact CG1-CB 3.5Å; H157-A160 HydrophobicContact CB-CB 4.45Å; H157-A160 PolarHBondContact CD2-N 3.11Å; H157-A160 WeakPolarHBondContact CE1-CB 3.44Å; H157-A160 WeakPolarHBondContact ND1-CB 3.1Å; H157-A160 VanDerWaalsContact NE2-CA 3.29Å; H157-A160 WeakPolarHBondContact NE2-CA 3.47Å; H157-A160 WeakPolarHBondContact NE2-CB 3.22Å; H157-A160 PolarHBondContact NE2-N 3.08Å; H157-A160 VanDerWaalsContact O-CB 3.24Å; H157-A160 WeakPolarHBondContact O-CB 3.25Å; H157-A160 PolarHBondContact O-N 2.98Å |
| 161 | S | 78.1 | Confident | 88.8 | Confident | 97 Ų | 97 | 37.6 Ų | 37.6 | 68% | 0.678 | 21% | 0.206 | S | C | * | . | P | Polyproline II helix | trans | -69.8 | 166.3 | 151.3 | 58.6 | 0 | 0 | 0 | 0 | 111.3 | ||
| 162 | Q | 84.4 | Confident | 88.8 | Confident | 69 Ų | 69 | 40.2 Ų | 40.2 | 32% | 0.322 | 22% | 0.222 | S | C | . | . | B | Isolated β-bridge | trans | -56.1 | 152.8 | 168.2 | -66.5 | 143.2 | -6.7 | 0 | 0 | 110.8 | K51 I53 W153 | K51-Q162 PolarHBondContact O-NE2 3.22Å; K51-Q162 PolarHBondContact O-OE1 3.2Å; I53-Q162 HydrophobicContact CD1-CB 4Å; I53-Q162 HydrophobicContact CD1-CG 3.77Å; I53-Q162 HydrophobicContact CG1-CG 4.09Å; W153-Q162 WeakPolarHBondContact O-CB 3.23Å |
| 163 | S | 91.9 | Very high | 88.9 | Confident | 9 Ų | 9 | 40.5 Ų | 40.5 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 131.6 | 171.8 | -173.4 | 0 | 0 | 0 | 0 | 110 | I85 W153 G154 T165 R167 | I85-S163 VanDerWaalsContact CD1-O 3.28Å; I85-S163 WeakPolarHBondContact CD1-O 3.26Å; W153-S163 PolarHBondContact O-N 3.44Å; G154-S163 PolarHBondContact O-N 2.87Å; G154-S163 VanDerWaalsContact O-N 3.13Å; S163-T165 WeakPolarHBondContact CB-O 3.42Å; S163-T165 PolarHBondContact OG-N 3.12Å; S163-T165 PolarHBondContact OG-O 2.9Å; S163-R167 WeakPolarHBondContact OG-CD 3.5Å |
| 164 | D | 94 | Very high | 88.9 | Confident | 54 Ų | 54 | 40.9 Ų | 40.9 | 29% | 0.289 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -68.9 | -39.5 | 171.6 | -178.9 | 70.8 | 0 | 0 | 0 | 111.1 | S84 I85 T86 | S84-D164 CarbonylContact C-O 3.41Å; S84-D164 WeakPolarHBondContact CA-O 3.37Å; S84-D164 WeakPolarHBondContact CB-OD2 3.49Å; S84-D164 VanDerWaalsContact OG-CG 3.31Å; S84-D164 PolarHBondContact OG-OD1 3.06Å; S84-D164 PolarHBondContact OG-OD2 3.44Å; I85-D164 PolarHBondContact N-O 3.38Å; I85-D164 PolarHBondContact N-OD1 2.69Å; T86-D164 VanDerWaalsContact CB-OD1 3.28Å; T86-D164 WeakPolarHBondContact CB-OD1 2.88Å; T86-D164 VanDerWaalsContact CG2-OD1 3.23Å; T86-D164 WeakPolarHBondContact CG2-OD1 2.83Å; T86-D164 PolarHBondContact N-OD1 3.14Å; T86-D164 PolarHBondContact OG1-OD1 2.87Å |
| 165 | T | 96.7 | Very high | 89.2 | Confident | 25 Ų | 25 | 43.6 Ų | 43.6 | 15% | 0.153 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -95.8 | 152.9 | -179.7 | 52 | 0 | 0 | 0 | 0 | 111.9 | E34 H83 S163 R167 | E34-T165 VanDerWaalsContact CD-OG1 3.25Å; E34-T165 PolarHBondContact OE2-OG1 2.76Å; H83-T165 CarbonylContact O-C 3.5Å; H83-T165 WeakPolarHBondContact O-CA 3.44Å; S163-T165 WeakPolarHBondContact CB-O 3.42Å; S163-T165 PolarHBondContact OG-N 3.12Å; S163-T165 PolarHBondContact OG-O 2.9Å; T165-R167 WeakPolarHBondContact O-CG 3.38Å |
| 166 | L | 97.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | trans | -67.1 | 135.2 | 174.4 | -178.9 | 61.4 | 0 | 0 | 0 | 109.6 | V35 R40 M43 H83 A151 W153 | V35-L166 HydrophobicContact CG2-CB 3.9Å; V35-L166 HydrophobicContact CG2-CD2 3.78Å; V35-L166 HydrophobicContact CG2-CG 3.7Å; V35-L166 WeakPolarHBondContact CG2-O 3.4Å; V35-L166 PolarHBondContact N-O 3.27Å; V35-L166 VanDerWaalsContact N-O 3.08Å; R40-L166 HydrophobicContact CB-CD2 3.99Å; R40-L166 HydrophobicContact CG-CD2 4.47Å; M43-L166 HydrophobicContact CB-CD2 4.22Å; M43-L166 HydrophobicContact CE-CD1 4.23Å; M43-L166 HydrophobicContact CG-CD1 4.49Å; M43-L166 HydrophobicContact CG-CD2 4.07Å; H83-L166 PolarHBondContact O-N 2.86Å; A151-L166 HydrophobicContact CB-CD1 4.14Å; W153-L166 HydrophobicContact CD2-CB 4.48Å; W153-L166 HydrophobicContact CD2-CD1 3.89Å; W153-L166 HydrophobicContact CE3-CD1 3.93Å; W153-L166 HydrophobicContact CH2-CD1 3.82Å; W153-L166 HydrophobicContact CH2-CD2 4.25Å; W153-L166 HydrophobicContact CH2-CG 4.44Å; W153-L166 HydrophobicContact CZ2-CB 3.76Å; W153-L166 HydrophobicContact CZ2-CD1 3.77Å; W153-L166 HydrophobicContact CZ2-CD2 4.09Å; W153-L166 HydrophobicContact CZ2-CG 4.08Å; W153-L166 HydrophobicContact CZ3-CD1 3.89Å | ||
| 167 | R | 96.9 | Very high | 90.6 | Very high | 30 Ų | 30 | 48 Ų | 48 | 11% | 0.113 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 162.8 | -179.9 | -54.3 | -169.5 | 76.2 | 93.1 | -4.1 | 110.5 | I29 G32 N33 E34 A151 G152 S163 T165 | I29-R167 HydrophobicContact CB-CB 3.97Å; I29-R167 HydrophobicContact CG1-CB 3.4Å; I29-R167 HydrophobicContact CG1-CG 4.24Å; I29-R167 VanDerWaalsContact N-CD 3.32Å; G32-R167 PolarHBondContact O-NE 3.25Å; G32-R167 VanDerWaalsContact O-NE 3.1Å; N33-R167 CarbonylContact O-C 3.58Å; N33-R167 WeakPolarHBondContact O-CA 3.42Å; N33-R167 VanDerWaalsContact O-CB 3.31Å; N33-R167 WeakPolarHBondContact O-CB 3.23Å; E34-R167 VanDerWaalsContact N-CZ 3.27Å; E34-R167 VanDerWaalsContact N-NH2 3.17Å; A151-R167 CarbonylContact C-O 3.59Å; A151-R167 WeakPolarHBondContact CA-O 3.39Å; A151-R167 WeakPolarHBondContact CB-O 3.42Å; G152-R167 PolarHBondContact N-O 3.13Å; G152-R167 PolarHBondContact O-N 3.47Å; S163-R167 WeakPolarHBondContact OG-CD 3.5Å; T165-R167 WeakPolarHBondContact O-CG 3.38Å |
| 168 | E | 97.4 | Very high | 91.7 | Very high | 30 Ų | 30 | 47 Ų | 47 | 14% | 0.14 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 140.8 | -179.9 | -179.5 | 174.9 | 94.2 | 0 | 0 | 111.4 | G32 N33 V35 R40 Q149 V150 A151 | G32-E168 CarbonylContact C-O 3.38Å; G32-E168 VanDerWaalsContact C-O 3.25Å; G32-E168 WeakPolarHBondContact CA-O 3.42Å; N33-E168 PolarHBondContact N-O 3.11Å; N33-E168 PolarHBondContact O-N 2.86Å; V35-E168 HydrophobicContact CG1-CB 3.43Å; V35-E168 VanDerWaalsContact CG1-CB 3.43Å; R40-E168 IonicContact CZ-OE1 3.63Å; R40-E168 IonicContact CZ-OE2 3.39Å; R40-E168 IonicContact NE-OE1 3.71Å; R40-E168 IonicContact NE-OE2 2.69Å; R40-E168 PolarHBondContact NE-OE2 2.76Å; R40-E168 VanDerWaalsContact NH2-CD 3.32Å; R40-E168 IonicContact NH2-OE1 2.68Å; R40-E168 PolarHBondContact NH2-OE1 3.3Å; R40-E168 IonicContact NH2-OE2 2.71Å; R40-E168 PolarHBondContact NH2-OE2 2.71Å; Q149-E168 HydrophobicContact CB-CG 3.92Å; Q149-E168 HydrophobicContact CG-CG 4.32Å; V150-E168 WeakPolarHBondContact O-CA 3.17Å; A151-E168 HydrophobicContact CB-CB 4.05Å; A151-E168 HydrophobicContact CB-CG 4.3Å |
| 169 | V | 96.1 | Very high | 93 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 138.7 | 174.8 | 62 | 0 | 0 | 0 | 0 | 111.2 | I29 G31 Q149 V150 I171 K205 | I29-V169 HydrophobicContact CG2-CB 3.94Å; I29-V169 HydrophobicContact CG2-CG1 3.67Å; G31-V169 WeakPolarHBondContact O-CG2 3.2Å; Q149-V169 WeakPolarHBondContact CA-O 3.41Å; V150-V169 HydrophobicContact CG1-CG1 3.46Å; V150-V169 VanDerWaalsContact CG1-CG1 3.46Å; V150-V169 PolarHBondContact N-O 3.04Å; V150-V169 PolarHBondContact O-N 2.85Å; V169-I171 HydrophobicContact CG1-CG2 4.06Å; V169-I171 HydrophobicContact CG2-CG2 4.1Å; V169-K205 HydrophobicContact CG2-CB 3.84Å; V169-K205 HydrophobicContact CG2-CD 4.27Å; V169-K205 HydrophobicContact CG2-CG 4.09Å |
| 170 | N | 97.1 | Very high | 94.6 | Very high | 89 Ų | 89 | 39.5 Ų | 39.5 | 48% | 0.476 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 121.9 | 168.5 | -70.3 | -53.4 | 0 | 0 | 0 | 109.7 | C148 Q149 K205 | C148-N170 WeakPolarHBondContact O-CA 3.21Å; Q149-N170 VanDerWaalsContact CG-OD1 3.23Å; Q149-N170 WeakPolarHBondContact CG-OD1 3.46Å; Q149-N170 PolarHBondContact NE2-OD1 2.87Å; N170-K205 WeakPolarHBondContact O-CD 3.31Å |
| 171 | I | 97.9 | Very high | 95.8 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 163.3 | 179.6 | 54.7 | -177.6 | 0 | 0 | 0 | 110.5 | C148 V150 V169 A198 K205 L216 Y243 | C148-I171 HydrophobicContact CB-CG1 4.27Å; C148-I171 PolarHBondContact N-O 2.89Å; C148-I171 PolarHBondContact O-N 2.92Å; C148-I171 VanDerWaalsContact O-O 3.07Å; V150-I171 HydrophobicContact CB-CD1 4.31Å; V150-I171 HydrophobicContact CG1-CD1 3.78Å; V169-I171 HydrophobicContact CG1-CG2 4.06Å; V169-I171 HydrophobicContact CG2-CG2 4.1Å; I171-A198 HydrophobicContact CB-CB 4.39Å; I171-A198 HydrophobicContact CD1-CB 3.61Å; I171-A198 HydrophobicContact CG1-CB 3.98Å; I171-K205 HydrophobicContact CG2-CB 4.15Å; I171-L216 HydrophobicContact CD1-CD1 3.77Å; I171-L216 HydrophobicContact CG1-CD1 4.3Å; I171-Y243 HydrophobicContact CD1-CE2 4.17Å; I171-Y243 WeakPolarHBondContact CD1-OH 3.46Å |
| 172 | T | 98.3 | Very high | 96.8 | Very high | 56 Ų | 56 | 41.4 Ų | 41.4 | 34% | 0.344 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 138.5 | -178.5 | -58.3 | 0 | 0 | 0 | 0 | 110 | G145 T146 I174 A198 G199 | G145-T172 VanDerWaalsContact CA-CG2 3.45Å; T146-T172 WeakPolarHBondContact O-CA 3.36Å; T172-I174 PolarHBondContact O-N 2.94Å; T172-A198 VanDerWaalsContact O-CA 3.27Å; T172-A198 WeakPolarHBondContact O-CA 3.03Å; T172-G199 PolarHBondContact N-O 3.3Å; T172-G199 PolarHBondContact O-N 2.86Å |
| 173 | I | 98.8 | Very high | 97.4 | Very high | 7 Ų | 7 | 46.1 Ų | 46.1 | 4% | 0.036 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 125.8 | 174.2 | -61 | -73.4 | 0 | 0 | 0 | 109.5 | V142 G145 T146 C148 V196 C197 A198 L216 | V142-I173 HydrophobicContact CB-CD1 4.03Å; V142-I173 HydrophobicContact CB-CG1 4.02Å; V142-I173 HydrophobicContact CG1-CD1 4.08Å; V142-I173 HydrophobicContact CG1-CG1 3.66Å; G145-I173 PolarHBondContact N-O 3.25Å; T146-I173 PolarHBondContact O-N 2.97Å; C148-I173 VanDerWaalsContact SG-CG1 3.6Å; I173-V196 HydrophobicContact CD1-CB 4.3Å; I173-V196 HydrophobicContact CD1-CG2 4.28Å; I173-C197 WeakPolarHBondContact CA-O 2.97Å; I173-A198 HydrophobicContact CD1-CB 4.13Å; I173-L216 HydrophobicContact CD1-CD2 4.26Å |
| 174 | I | 98.6 | Very high | 97.7 | Very high | 10 Ų | 10 | 46.6 Ų | 46.6 | 5% | 0.051 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 139.6 | 175.7 | -65.9 | 168 | 0 | 0 | 0 | 108.3 | T172 R176 I178 C197 L201 P240 | T172-I174 PolarHBondContact O-N 2.94Å; I174-R176 PolarHBondContact O-N 2.91Å; I174-I178 HydrophobicContact CG2-CB 3.99Å; I174-I178 HydrophobicContact CG2-CG2 3.82Å; I174-C197 HydrophobicContact CB-CB 4.14Å; I174-C197 PolarHBondContact N-O 3.33Å; I174-L201 HydrophobicContact CD1-CD2 4.2Å; I174-L201 HydrophobicContact CG1-CD2 4.12Å; I174-L201 HydrophobicContact CG2-CD2 4.33Å; I174-P240 HydrophobicContact CD1-CB 3.52Å; I174-P240 HydrophobicContact CD1-CG 3.81Å |
| 175 | D | 98.5 | Very high | 97.8 | Very high | 56 Ų | 56 | 44.6 Ų | 44.6 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -57.7 | 132.9 | 177.8 | -173.5 | -77.1 | 0 | 0 | 0 | 110.8 | P144 K177 I178 C179 | P144-D175 HydrophobicContact CB-CB 3.99Å; P144-D175 HydrophobicContact CG-CB 3.87Å; P144-D175 WeakPolarHBondContact CG-OD2 3.12Å; D175-K177 PolarHBondContact O-N 3Å; D175-K177 WeakPolarHBondContact OD1-CA 3.44Å; D175-K177 WeakPolarHBondContact OD1-CB 3.28Å; D175-K177 WeakPolarHBondContact OD1-CG 3.42Å; D175-K177 PolarHBondContact OD1-N 2.81Å; D175-I178 HydrophobicContact CB-CB 4.36Å; D175-I178 HydrophobicContact CB-CD1 3.9Å; D175-I178 HydrophobicContact CB-CG1 4.02Å; D175-I178 WeakPolarHBondContact O-CA 3.49Å; D175-I178 WeakPolarHBondContact O-CB 3.09Å; D175-I178 PolarHBondContact O-N 2.82Å; D175-C179 PolarHBondContact O-N 2.82Å |
| 176 | R | 98.5 | Very high | 97.9 | Very high | 33 Ų | 33 | 47.8 Ų | 47.8 | 13% | 0.125 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.6 | -29.1 | -175.7 | -168.2 | 177.1 | -70.4 | 103.8 | 1.7 | 112.8 | D141 I174 C179 N180 I191 G192 M193 M195 | D141-R176 VanDerWaalsContact CG-NH2 3.34Å; D141-R176 IonicContact OD1-CZ 3.85Å; D141-R176 IonicContact OD1-NH2 3.25Å; D141-R176 PolarHBondContact OD1-NH2 2.83Å; D141-R176 IonicContact OD2-CZ 2.76Å; D141-R176 IonicContact OD2-NH1 3.75Å; D141-R176 PolarHBondContact OD2-NH1 3.26Å; D141-R176 IonicContact OD2-NH2 3.61Å; D141-R176 PolarHBondContact OD2-NH2 2.92Å; D141-R176 VanDerWaalsContact OD2-NH2 3.08Å; I174-R176 PolarHBondContact O-N 2.91Å; R176-C179 PolarHBondContact O-N 2.7Å; R176-N180 PolarHBondContact O-N 2.87Å; R176-N180 PolarHBondContact O-ND2 2.93Å; R176-I191 WeakPolarHBondContact CD-O 2.97Å; R176-I191 HydrophobicContact CG-CB 4.39Å; R176-I191 HydrophobicContact CG-CG2 4.12Å; R176-I191 VanDerWaalsContact CG-O 3.28Å; R176-I191 WeakPolarHBondContact CG-O 3.39Å; R176-G192 VanDerWaalsContact CD-O 3.3Å; R176-G192 WeakPolarHBondContact CD-O 3.48Å; R176-G192 PolarHBondContact NE-O 3.01Å; R176-M193 VanDerWaalsContact CD-CE 3.46Å; R176-M195 VanDerWaalsContact CZ-O 3.29Å; R176-M195 PolarHBondContact NE-O 3.29Å; R176-M195 PolarHBondContact NH2-O 3.36Å |
| 177 | K | 98.4 | Very high | 97.9 | Very high | 173 Ų | 173 | 54 Ų | 54 | 75% | 0.752 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -69 | -41.4 | 173.6 | -59.7 | 178.4 | 178.8 | 178.3 | 0 | 111.1 | D175 C179 N180 D181 | D175-K177 PolarHBondContact O-N 3Å; D175-K177 WeakPolarHBondContact OD1-CA 3.44Å; D175-K177 WeakPolarHBondContact OD1-CB 3.28Å; D175-K177 WeakPolarHBondContact OD1-CG 3.42Å; D175-K177 PolarHBondContact OD1-N 2.81Å; K177-C179 VanDerWaalsContact C-N 3.29Å; K177-N180 PolarHBondContact O-N 2.85Å; K177-D181 PolarHBondContact O-N 3.42Å |
| 178 | I | 98.1 | Very high | 97.8 | Very high | 65 Ų | 65 | 59 Ų | 59 | 33% | 0.333 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 172.9 | -64.4 | 175 | 0 | 0 | 0 | 109.1 | I174 D175 N180 D181 H184 | I174-I178 HydrophobicContact CG2-CB 3.99Å; I174-I178 HydrophobicContact CG2-CG2 3.82Å; D175-I178 HydrophobicContact CB-CB 4.36Å; D175-I178 HydrophobicContact CB-CD1 3.9Å; D175-I178 HydrophobicContact CB-CG1 4.02Å; D175-I178 WeakPolarHBondContact O-CA 3.49Å; D175-I178 WeakPolarHBondContact O-CB 3.09Å; D175-I178 PolarHBondContact O-N 2.82Å; I178-N180 PolarHBondContact O-N 3.16Å; I178-N180 VanDerWaalsContact O-N 3.15Å; I178-D181 WeakPolarHBondContact O-CB 3.27Å; I178-D181 PolarHBondContact O-N 3.01Å; I178-H184 WeakPolarHBondContact CG2-CE1 3.48Å; I178-H184 PolarHBondContact O-ND1 2.76Å; I178-H184 VanDerWaalsContact O-ND1 3.1Å |
| 179 | C | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.9 | -28.9 | -178.5 | -136.4 | 0 | 0 | 0 | 0 | 113.9 | D175 R176 K177 H184 Y185 I191 C197 | D175-C179 PolarHBondContact O-N 2.82Å; R176-C179 PolarHBondContact O-N 2.7Å; K177-C179 VanDerWaalsContact C-N 3.29Å; C179-H184 VanDerWaalsContact O-CB 3.24Å; C179-H184 WeakPolarHBondContact O-CB 3.44Å; C179-Y185 WeakPolarHBondContact O-CB 3.27Å; C179-Y185 WeakPolarHBondContact O-CD2 3.4Å; C179-Y185 PolarHBondContact O-N 3.25Å; C179-I191 HydrophobicContact CB-CG1 4.29Å; C179-C197 HydrophobicContact CB-CB 3.85Å; C179-C197 WeakPolarHBondContact CB-SG 3.49Å; C179-C197 WeakPolarHBondContact SG-CB 3.47Å; C179-C197 CovalentContact SG-SG 2Å; C179-C197 PolarHBondContact SG-SG 3.41Å |
| 180 | N | 98.6 | Very high | 97.9 | Very high | 12 Ų | 12 | 62.7 Ų | 62.7 | 6% | 0.064 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -1.4 | 175.6 | -75.7 | -73.1 | 0 | 0 | 0 | 114.1 | R176 K177 I178 N186 F187 I191 | R176-N180 PolarHBondContact O-N 2.87Å; R176-N180 PolarHBondContact O-ND2 2.93Å; K177-N180 PolarHBondContact O-N 2.85Å; I178-N180 PolarHBondContact O-N 3.16Å; I178-N180 VanDerWaalsContact O-N 3.15Å; N180-N186 WeakPolarHBondContact O-CA 3.48Å; N180-F187 HydrophobicContact CB-CD1 4.12Å; N180-F187 HydrophobicContact CB-CE1 3.89Å; N180-F187 HydrophobicContact CB-CE2 4.36Å; N180-F187 HydrophobicContact CB-CG 4.46Å; N180-F187 HydrophobicContact CB-CZ 4.02Å; N180-F187 VanDerWaalsContact O-CD2 3.28Å; N180-F187 WeakPolarHBondContact O-CD2 3.27Å; N180-F187 VanDerWaalsContact O-CE2 3.27Å; N180-F187 WeakPolarHBondContact O-CE2 3.42Å; N180-F187 PolarHBondContact O-N 3.14Å; N180-I191 PolarHBondContact ND2-O 3.09Å; N180-I191 PolarHBondContact OD1-N 2.9Å |
| 181 | D | 98.1 | Very high | 98 | Very high | 43 Ų | 43 | 58.5 Ų | 58.5 | 23% | 0.23 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -70.4 | 168.5 | -176.3 | 86.3 | 14.6 | 0 | 0 | 0 | 112.5 | K177 I178 K183 H184 N186 | K177-D181 PolarHBondContact O-N 3.42Å; I178-D181 WeakPolarHBondContact O-CB 3.27Å; I178-D181 PolarHBondContact O-N 3.01Å; D181-K183 PolarHBondContact O-N 3.14Å; D181-K183 VanDerWaalsContact O-N 3.15Å; D181-K183 WeakPolarHBondContact OD1-CA 3.45Å; D181-K183 WeakPolarHBondContact OD1-CB 3.25Å; D181-K183 PolarHBondContact OD1-N 3.36Å; D181-H184 VanDerWaalsContact CG-ND1 3.26Å; D181-H184 PolarHBondContact O-N 2.84Å; D181-H184 VanDerWaalsContact O-N 3.08Å; D181-H184 IonicContact OD1-CE1 3.4Å; D181-H184 IonicContact OD1-CG 3.35Å; D181-H184 PolarHBondContact OD1-N 3.32Å; D181-H184 IonicContact OD1-ND1 2.77Å; D181-H184 PolarHBondContact OD1-ND1 3.47Å; D181-H184 IonicContact OD2-CE1 3.64Å; D181-H184 IonicContact OD2-ND1 3.08Å; D181-H184 PolarHBondContact OD2-ND1 2.68Å; D181-N186 VanDerWaalsContact O-CA 3.27Å; D181-N186 WeakPolarHBondContact O-CA 3.28Å; D181-N186 PolarHBondContact O-N 2.04Å |
| 182 | P | 98.1 | Very high | 98 | Very high | 105 Ų | 105 | 59.2 Ų | 59.2 | 68% | 0.682 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -19.4 | -179.1 | -26.5 | 36.6 | 0 | 0 | 0 | 116 | ||
| 183 | K | 97 | Very high | 97.9 | Very high | 167 Ų | 167 | 62.8 Ų | 62.8 | 73% | 0.726 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -18.4 | 178.1 | -61.9 | -179.2 | -179.9 | 178.7 | 0 | 111.9 | D181 G238 | D181-K183 PolarHBondContact O-N 3.14Å; D181-K183 VanDerWaalsContact O-N 3.15Å; D181-K183 WeakPolarHBondContact OD1-CA 3.45Å; D181-K183 WeakPolarHBondContact OD1-CB 3.25Å; D181-K183 PolarHBondContact OD1-N 3.36Å; K183-G238 WeakPolarHBondContact O-CA 3.19Å |
| 184 | H | 97.7 | Very high | 97.9 | Very high | 20 Ų | 20 | 64 Ų | 64 | 9% | 0.093 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -122.3 | -179 | -59.3 | 80.9 | 0 | 0 | 0 | 111.5 | I178 C179 D181 N186 R230 P237 G238 | I178-H184 WeakPolarHBondContact CG2-CE1 3.48Å; I178-H184 PolarHBondContact O-ND1 2.76Å; I178-H184 VanDerWaalsContact O-ND1 3.1Å; C179-H184 VanDerWaalsContact O-CB 3.24Å; C179-H184 WeakPolarHBondContact O-CB 3.44Å; D181-H184 VanDerWaalsContact CG-ND1 3.26Å; D181-H184 PolarHBondContact O-N 2.84Å; D181-H184 VanDerWaalsContact O-N 3.08Å; D181-H184 IonicContact OD1-CE1 3.4Å; D181-H184 IonicContact OD1-CG 3.35Å; D181-H184 PolarHBondContact OD1-N 3.32Å; D181-H184 IonicContact OD1-ND1 2.77Å; D181-H184 PolarHBondContact OD1-ND1 3.47Å; D181-H184 IonicContact OD2-CE1 3.64Å; D181-H184 IonicContact OD2-ND1 3.08Å; D181-H184 PolarHBondContact OD2-ND1 2.68Å; H184-N186 VanDerWaalsContact C-N 3.29Å; H184-N186 PolarHBondContact O-N 2.89Å; H184-R230 PolarHBondContact O-NH2 3.38Å; H184-P237 PolarHBondContact CD2-O 2.04Å; H184-P237 PolarHBondContact NE2-O 2.83Å; H184-G238 CarbonylContact C-O 3.47Å; H184-G238 VanDerWaalsContact CA-O 3.22Å; H184-G238 WeakPolarHBondContact CA-O 3.33Å |
| 185 | Y | 97.6 | Very high | 97.9 | Very high | 12 Ų | 12 | 63.5 Ų | 63.5 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -15.7 | -177.8 | -72 | -76.4 | 0 | 0 | 0 | 113.7 | C179 F187 N188 I191 F228 R230 P240 V242 | C179-Y185 WeakPolarHBondContact O-CB 3.27Å; C179-Y185 WeakPolarHBondContact O-CD2 3.4Å; C179-Y185 PolarHBondContact O-N 3.25Å; Y185-F187 PolarHBondContact O-N 2.89Å; Y185-N188 CarbonylContact O-C 3.46Å; Y185-N188 WeakPolarHBondContact O-CA 3.43Å; Y185-N188 PolarHBondContact O-N 3.11Å; Y185-N188 VanDerWaalsContact O-O 3.11Å; Y185-I191 HydrophobicContact CD2-CD1 3.87Å; Y185-I191 HydrophobicContact CD2-CG1 3.86Å; Y185-I191 HydrophobicContact CE2-CD1 4.24Å; Y185-I191 HydrophobicContact CG-CD1 4.1Å; Y185-I191 HydrophobicContact CG-CG1 4.28Å; Y185-F228 HydrophobicContact CD1-CE2 4.38Å; Y185-F228 HydrophobicContact CE1-CD2 4.35Å; Y185-F228 AromaticContact CE1-CE2 3.7Å; Y185-F228 HydrophobicContact CE1-CE2 3.7Å; Y185-F228 AromaticContact CZ-CE2 3.93Å; Y185-R230 HydrophobicContact CE1-CG 4.32Å; Y185-P240 HydrophobicContact CE2-CG 4.37Å; Y185-P240 PolarHBondContact OH-O 3.17Å; Y185-V242 HydrophobicContact CD2-CG2 4.5Å; Y185-V242 HydrophobicContact CE2-CG2 3.59Å; Y185-V242 WeakPolarHBondContact OH-CG2 3.3Å |
| 186 | N | 98.2 | Very high | 97.9 | Very high | 91 Ų | 91 | 61 Ų | 61 | 49% | 0.487 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 47.3 | 178.5 | -170.6 | 35.9 | 0 | 0 | 0 | 112.8 | N180 D181 H184 N188 | N180-N186 WeakPolarHBondContact O-CA 3.48Å; D181-N186 VanDerWaalsContact O-CA 3.27Å; D181-N186 WeakPolarHBondContact O-CA 3.28Å; D181-N186 PolarHBondContact O-N 2.04Å; H184-N186 VanDerWaalsContact C-N 3.29Å; H184-N186 PolarHBondContact O-N 2.89Å; N186-N188 PolarHBondContact O-N 2.82Å; N186-N188 VanDerWaalsContact O-N 3.07Å |
| 187 | F | 97.6 | Very high | 97.9 | Very high | 131 Ų | 131 | 59.5 Ų | 59.5 | 58% | 0.575 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 20.8 | -175.7 | -59.6 | -88.5 | 0 | 0 | 0 | 115 | N180 Y185 P189 V190 | N180-F187 HydrophobicContact CB-CD1 4.12Å; N180-F187 HydrophobicContact CB-CE1 3.89Å; N180-F187 HydrophobicContact CB-CE2 4.36Å; N180-F187 HydrophobicContact CB-CG 4.46Å; N180-F187 HydrophobicContact CB-CZ 4.02Å; N180-F187 VanDerWaalsContact O-CD2 3.28Å; N180-F187 WeakPolarHBondContact O-CD2 3.27Å; N180-F187 VanDerWaalsContact O-CE2 3.27Å; N180-F187 WeakPolarHBondContact O-CE2 3.42Å; N180-F187 PolarHBondContact O-N 3.14Å; Y185-F187 PolarHBondContact O-N 2.89Å; F187-P189 VanDerWaalsContact C-C 3.45Å; F187-P189 CarbonylContact C-O 3.53Å; F187-P189 CarbonylContact O-C 3.6Å; F187-V190 HydrophobicContact CB-CG2 4.06Å; F187-V190 HydrophobicContact CD1-CG1 4.46Å; F187-V190 HydrophobicContact CD1-CG2 4.32Å; F187-V190 VanDerWaalsContact O-CG2 3.29Å; F187-V190 WeakPolarHBondContact O-CG2 3.38Å; F187-V190 PolarHBondContact O-N 3.35Å |
| 188 | N | 96.1 | Very high | 97.9 | Very high | 135 Ų | 135 | 51.3 Ų | 51.3 | 72% | 0.722 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -139.3 | 93.8 | 179.3 | -171.6 | 17.3 | 0 | 0 | 0 | 112.9 | Y185 N186 | Y185-N188 CarbonylContact O-C 3.46Å; Y185-N188 WeakPolarHBondContact O-CA 3.43Å; Y185-N188 PolarHBondContact O-N 3.11Å; Y185-N188 VanDerWaalsContact O-O 3.11Å; N186-N188 PolarHBondContact O-N 2.82Å; N186-N188 VanDerWaalsContact O-N 3.07Å |
| 189 | P | 96.6 | Very high | 97.9 | Very high | 29 Ų | 29 | 48.3 Ų | 48.3 | 19% | 0.188 | 26% | 0.255 | C | S | . | . | S | Bend | cis | -70.3 | 164.1 | -8 | 31.4 | -36.3 | 0 | 0 | 0 | 112 | F187 I191 F228 | F187-P189 VanDerWaalsContact C-C 3.45Å; F187-P189 CarbonylContact C-O 3.53Å; F187-P189 CarbonylContact O-C 3.6Å; P189-I191 PolarHBondContact O-N 2.93Å; P189-F228 HydrophobicContact CG-CE1 4.49Å; P189-F228 HydrophobicContact CG-CE2 3.59Å; P189-F228 HydrophobicContact CG-CZ 3.48Å; P189-F228 VanDerWaalsContact CG-CZ 3.48Å |
| 190 | V | 98.3 | Very high | 97.6 | Very high | 80 Ų | 80 | 49.8 Ų | 49.8 | 49% | 0.485 | 27% | 0.265 | S | S | . | . | trans | -73.4 | 125.6 | 172.2 | -179.4 | 0 | 0 | 0 | 0 | 109.4 | F187 G192 | F187-V190 HydrophobicContact CB-CG2 4.06Å; F187-V190 HydrophobicContact CD1-CG1 4.46Å; F187-V190 HydrophobicContact CD1-CG2 4.32Å; F187-V190 VanDerWaalsContact O-CG2 3.29Å; F187-V190 WeakPolarHBondContact O-CG2 3.38Å; F187-V190 PolarHBondContact O-N 3.35Å; V190-G192 PolarHBondContact O-N 3.05Å | ||
| 191 | I | 98.5 | Very high | 97.2 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | trans | -85.2 | 97.8 | 173.3 | -46.7 | -52.6 | 0 | 0 | 0 | 108.8 | R176 C179 N180 Y185 P189 M195 F228 V242 | R176-I191 WeakPolarHBondContact CD-O 2.97Å; R176-I191 HydrophobicContact CG-CB 4.39Å; R176-I191 HydrophobicContact CG-CG2 4.12Å; R176-I191 VanDerWaalsContact CG-O 3.28Å; R176-I191 WeakPolarHBondContact CG-O 3.39Å; C179-I191 HydrophobicContact CB-CG1 4.29Å; N180-I191 PolarHBondContact ND2-O 3.09Å; N180-I191 PolarHBondContact OD1-N 2.9Å; Y185-I191 HydrophobicContact CD2-CD1 3.87Å; Y185-I191 HydrophobicContact CD2-CG1 3.86Å; Y185-I191 HydrophobicContact CE2-CD1 4.24Å; Y185-I191 HydrophobicContact CG-CD1 4.1Å; Y185-I191 HydrophobicContact CG-CG1 4.28Å; P189-I191 PolarHBondContact O-N 2.93Å; I191-M195 HydrophobicContact CG2-CB 3.76Å; I191-F228 HydrophobicContact CD1-CE2 4.43Å; I191-F228 HydrophobicContact CD1-CZ 3.78Å; I191-V242 HydrophobicContact CD1-CG1 4.24Å; I191-V242 HydrophobicContact CD1-CG2 3.8Å | ||
| 192 | G | 97.6 | Very high | 96.8 | Very high | 17 Ų | 17 | 64.2 Ų | 64.2 | 18% | 0.175 | 32% | 0.324 | C | S | . | . | trans | -80.9 | -179.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R176 V190 N194 M195 | R176-G192 VanDerWaalsContact CD-O 3.3Å; R176-G192 WeakPolarHBondContact CD-O 3.48Å; R176-G192 PolarHBondContact NE-O 3.01Å; V190-G192 PolarHBondContact O-N 3.05Å; G192-N194 PolarHBondContact O-N 3.07Å; G192-N194 VanDerWaalsContact O-N 3.15Å; G192-M195 PolarHBondContact O-N 2.93Å; G192-M195 VanDerWaalsContact O-N 3.08Å; G192-M195 VanDerWaalsContact O-O 3.14Å | ||
| 193 | M | 97.9 | Very high | 96.4 | Very high | 131 Ų | 131 | 59.7 Ų | 59.7 | 65% | 0.645 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -15.5 | -179.4 | -66.7 | -61.8 | 117.7 | 0 | 0 | 114.2 | R176 M195 L245 | R176-M193 VanDerWaalsContact CD-CE 3.46Å; M193-M195 VanDerWaalsContact C-N 3.34Å; M193-L245 WeakPolarHBondContact O-CD2 3.22Å |
| 194 | N | 98.1 | Very high | 96 | Very high | 32 Ų | 32 | 53.7 Ų | 53.7 | 17% | 0.171 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 6.4 | 177.7 | -74.7 | -42.8 | 0 | 0 | 0 | 112.8 | E112 G192 L245 S247 K249 Y250 | E112-N194 VanDerWaalsContact OE1-CB 3.31Å; E112-N194 WeakPolarHBondContact OE1-CB 3.19Å; E112-N194 PolarHBondContact OE1-ND2 3.13Å; G192-N194 PolarHBondContact O-N 3.07Å; G192-N194 VanDerWaalsContact O-N 3.15Å; N194-L245 WeakPolarHBondContact O-CB 3.29Å; N194-L245 PolarHBondContact O-N 2.9Å; N194-S247 PolarHBondContact OD1-OG 3.41Å; N194-S247 VanDerWaalsContact OD1-OG 3.12Å; N194-K249 PolarHBondContact ND2-NZ 3.1Å; N194-Y250 HydrophobicContact CB-CE2 3.69Å; N194-Y250 WeakPolarHBondContact CB-OH 3.21Å |
| 195 | M | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 151.6 | 178.5 | -62.7 | 178.1 | -172.8 | 0 | 0 | 110 | H111 E112 R176 I191 G192 M193 F228 V242 Y243 I244 | H111-M195 VanDerWaalsContact C-CE 3.5Å; H111-M195 WeakPolarHBondContact O-CE 3.31Å; E112-M195 VanDerWaalsContact CA-CE 3.42Å; E112-M195 HydrophobicContact CB-CE 4.12Å; R176-M195 VanDerWaalsContact CZ-O 3.29Å; R176-M195 PolarHBondContact NE-O 3.29Å; R176-M195 PolarHBondContact NH2-O 3.36Å; I191-M195 HydrophobicContact CG2-CB 3.76Å; G192-M195 PolarHBondContact O-N 2.93Å; G192-M195 VanDerWaalsContact O-N 3.08Å; G192-M195 VanDerWaalsContact O-O 3.14Å; M193-M195 VanDerWaalsContact C-N 3.34Å; M195-F228 HydrophobicContact SD-CE1 4.24Å; M195-V242 HydrophobicContact CB-CG1 3.97Å; M195-V242 HydrophobicContact CG-CG1 4.23Å; M195-V242 HydrophobicContact SD-CG1 3.91Å; M195-Y243 CarbonylContact C-O 3.46Å; M195-Y243 VanDerWaalsContact CA-O 3.29Å; M195-Y243 WeakPolarHBondContact CA-O 3.28Å; M195-I244 HydrophobicContact CE-CD1 4.39Å; M195-I244 HydrophobicContact CG-CD1 4.17Å |
| 196 | V | 98.8 | Very high | 95.4 | Very high | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.024 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 148 | 168.8 | -66.6 | 0 | 0 | 0 | 0 | 109.6 | D141 I173 L216 V242 Y243 L245 | D141-V196 WeakPolarHBondContact OD1-CG1 3.13Å; I173-V196 HydrophobicContact CD1-CB 4.3Å; I173-V196 HydrophobicContact CD1-CG2 4.28Å; V196-L216 HydrophobicContact CG2-CD2 3.88Å; V196-V242 WeakPolarHBondContact O-CA 3.38Å; V196-Y243 PolarHBondContact N-O 3.44Å; V196-Y243 PolarHBondContact O-N 3.31Å; V196-L245 HydrophobicContact CG1-CB 4.32Å; V196-L245 HydrophobicContact CG1-CD1 3.95Å |
| 197 | C | 98.6 | Very high | 95 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 138.6 | 169.9 | -66.5 | 0 | 0 | 0 | 0 | 109.9 | I173 I174 C179 P240 G241 | I173-C197 WeakPolarHBondContact CA-O 2.97Å; I174-C197 HydrophobicContact CB-CB 4.14Å; I174-C197 PolarHBondContact N-O 3.33Å; C179-C197 HydrophobicContact CB-CB 3.85Å; C179-C197 WeakPolarHBondContact CB-SG 3.49Å; C179-C197 WeakPolarHBondContact SG-CB 3.47Å; C179-C197 CovalentContact SG-SG 2Å; C179-C197 PolarHBondContact SG-SG 3.41Å; C197-P240 HydrophobicContact CB-CG 4.23Å; C197-G241 WeakPolarHBondContact CA-O 3.17Å |
| 198 | A | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 141.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | I171 T172 I173 L216 G241 Y243 | I171-A198 HydrophobicContact CB-CB 4.39Å; I171-A198 HydrophobicContact CD1-CB 3.61Å; I171-A198 HydrophobicContact CG1-CB 3.98Å; T172-A198 VanDerWaalsContact O-CA 3.27Å; T172-A198 WeakPolarHBondContact O-CA 3.03Å; I173-A198 HydrophobicContact CD1-CB 4.13Å; A198-L216 HydrophobicContact CB-CD1 4.49Å; A198-G241 PolarHBondContact N-O 3.44Å; A198-G241 PolarHBondContact O-N 2.96Å; A198-Y243 HydrophobicContact CB-CD2 4.15Å; A198-Y243 HydrophobicContact CB-CE2 3.72Å |
| 199 | G | 96.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.8 | -146.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | T172 K205 | T172-G199 PolarHBondContact N-O 3.3Å; T172-G199 PolarHBondContact O-N 2.86Å; G199-K205 WeakPolarHBondContact CA-O 3.17Å |
| 200 | S | 93.6 | Very high | 94.3 | Very high | 32 Ų | 32 | 42.4 Ų | 42.4 | 22% | 0.224 | 23% | 0.226 | C | C | . | . | trans | -121.2 | 132 | 170.6 | 163.9 | 0 | 0 | 0 | 0 | 109.2 | R202 G203 | S200-R202 PolarHBondContact O-N 3.19Å; S200-R202 VanDerWaalsContact O-N 3.14Å; S200-R202 PolarHBondContact OG-N 3.37Å; S200-R202 VanDerWaalsContact OG-N 3.16Å; S200-G203 WeakPolarHBondContact CB-O 3.1Å; S200-G203 WeakPolarHBondContact O-CA 2.95Å; S200-G203 PolarHBondContact O-N 3.07Å; S200-G203 PolarHBondContact OG-N 3.12Å; S200-G203 PolarHBondContact OG-O 3.22Å | ||
| 201 | L | 88.8 | Confident | 94.3 | Very high | 118 Ų | 118 | 38.6 Ų | 38.6 | 62% | 0.618 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -20 | 173.2 | -69.1 | 175.8 | 0 | 0 | 0 | 112.7 | I174 | I174-L201 HydrophobicContact CD1-CD2 4.2Å; I174-L201 HydrophobicContact CG1-CD2 4.12Å; I174-L201 HydrophobicContact CG2-CD2 4.33Å |
| 202 | R | 90.7 | Very high | 94.3 | Very high | 240 Ų | 240 | 39.4 Ų | 39.4 | 91% | 0.906 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -0.8 | 174.2 | -62 | -177.7 | -177.9 | 179 | 0.6 | 112.8 | S200 | S200-R202 PolarHBondContact O-N 3.19Å; S200-R202 VanDerWaalsContact O-N 3.14Å; S200-R202 PolarHBondContact OG-N 3.37Å; S200-R202 VanDerWaalsContact OG-N 3.16Å |
| 203 | G | 90.3 | Very high | 94.3 | Very high | 10 Ų | 10 | 38.6 Ų | 38.6 | 10% | 0.103 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 73.2 | -168.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S200 K205 G235 | S200-G203 WeakPolarHBondContact CB-O 3.1Å; S200-G203 WeakPolarHBondContact O-CA 2.95Å; S200-G203 PolarHBondContact O-N 3.07Å; S200-G203 PolarHBondContact OG-N 3.12Å; S200-G203 PolarHBondContact OG-O 3.22Å; G203-K205 PolarHBondContact O-N 2.78Å; G203-G235 CarbonylContact C-O 3.56Å; G203-G235 WeakPolarHBondContact CA-O 3.05Å |
| 204 | G | 87.8 | Confident | 94.4 | Very high | 40 Ų | 40 | 32.3 Ų | 32.3 | 41% | 0.412 | 17% | 0.17 | S | C | . | . | S | Bend | trans | 73.2 | 4.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | I30 G31 G235 | I30-G204 CarbonylContact C-O 3.59Å; G31-G204 WeakPolarHBondContact CA-O 3.34Å; G31-G204 PolarHBondContact N-O 2.77Å; G204-G235 PolarHBondContact N-O 3.08Å |
| 205 | K | 90.2 | Very high | 94.4 | Very high | 90 Ų | 90 | 30.9 Ų | 30.9 | 39% | 0.391 | 16% | 0.162 | S | C | . | . | trans | -137.6 | 111.6 | 175.7 | -64.6 | -169 | 175.7 | -172.6 | 0 | 111.3 | I30 V169 N170 I171 G199 G203 | I30-K205 WeakPolarHBondContact O-CA 3.45Å; V169-K205 HydrophobicContact CG2-CB 3.84Å; V169-K205 HydrophobicContact CG2-CD 4.27Å; V169-K205 HydrophobicContact CG2-CG 4.09Å; N170-K205 WeakPolarHBondContact O-CD 3.31Å; I171-K205 HydrophobicContact CG2-CB 4.15Å; G199-K205 WeakPolarHBondContact CA-O 3.17Å; G203-K205 PolarHBondContact O-N 2.78Å | ||
| 206 | D | 92.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.011 | 16% | 0.162 | C | C | . | . | trans | -163.8 | 160.8 | -175.3 | -157.1 | 3.5 | 0 | 0 | 0 | 113.1 | I29 I30 G235 G241 | I29-D206 WeakPolarHBondContact CG2-O 3.27Å; I30-D206 PolarHBondContact O-N 2.77Å; I30-D206 VanDerWaalsContact O-N 3.09Å; D206-G235 VanDerWaalsContact CB-N 3.3Å; D206-G235 PolarHBondContact OD2-N 2.99Å; D206-G241 VanDerWaalsContact OD1-CA 3.31Å; D206-G241 WeakPolarHBondContact OD1-CA 3.36Å; D206-G241 PolarHBondContact OD1-N 2.97Å; D206-G241 VanDerWaalsContact OD1-N 3.14Å | ||
| 207 | S | 90.9 | Very high | 94.4 | Very high | 7 Ų | 7 | 31.3 Ų | 31.3 | 5% | 0.049 | 16% | 0.164 | C | C | . | . | trans | -73.3 | 159.4 | 157.4 | 57.8 | 0 | 0 | 0 | 0 | 110.5 | Y243 | S207-Y243 PolarHBondContact OG-OH 2.85Š| ||
| 208 | C | 92.6 | Very high | 94.4 | Very high | 10 Ų | 10 | 31.4 Ų | 31.4 | 7% | 0.068 | 17% | 0.165 | C | C | . | . | trans | -143.1 | -174.7 | 177.8 | -159.4 | 0 | 0 | 0 | 0 | 113.8 | R155 G210 D211 C234 | R155-C208 HydrophobicContact CB-CB 4.33Å; C208-G210 PolarHBondContact O-N 3.08Å; C208-G210 VanDerWaalsContact O-N 3.11Å; C208-D211 PolarHBondContact N-OD2 2.89Å; C208-D211 WeakPolarHBondContact O-CB 3.42Å; C208-D211 PolarHBondContact O-N 2.86Å; C208-C234 WeakPolarHBondContact CA-SG 3.42Å; C208-C234 HydrophobicContact CB-CB 3.58Å; C208-C234 WeakPolarHBondContact CB-SG 3.24Å; C208-C234 WeakPolarHBondContact SG-CB 3.43Å; C208-C234 CovalentContact SG-SG 2.04Å; C208-C234 PolarHBondContact SG-SG 3.15Å | ||
| 209 | D | 90.3 | Very high | 94.3 | Very high | 64 Ų | 64 | 37.6 Ų | 37.6 | 34% | 0.342 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | 118.5 | 176.2 | -70.7 | -16.6 | 0 | 0 | 0 | 110.6 | G154 R155 | G154-D209 CarbonylContact C-O 3.43Å; G154-D209 WeakPolarHBondContact CA-O 3.01Å; R155-D209 HydrophobicContact CG-CB 4.21Å; R155-D209 IonicContact CZ-OD2 3.34Å; R155-D209 PolarHBondContact N-O 3.28Å; R155-D209 IonicContact NH1-OD2 3.62Å; R155-D209 PolarHBondContact NH1-OD2 3.36Å; R155-D209 IonicContact NH2-OD2 2.74Å |
| 210 | G | 92.7 | Very high | 94.2 | Very high | 9 Ų | 9 | 40.2 Ų | 40.2 | 9% | 0.093 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 106.4 | -17.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | I53 C54 C208 | I53-G210 WeakPolarHBondContact O-CA 3.22Å; C54-G210 CarbonylContact C-O 3.59Å; C54-G210 WeakPolarHBondContact CA-O 3.46Å; C208-G210 PolarHBondContact O-N 3.08Å; C208-G210 VanDerWaalsContact O-N 3.11Å |
| 211 | D | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -88.9 | -5.5 | 176.1 | -59.2 | -42 | 0 | 0 | 0 | 113.4 | I29 G152 W153 G154 C208 G213 S214 T226 | I29-D211 VanDerWaalsContact CD1-OD1 3.25Å; I29-D211 WeakPolarHBondContact CD1-OD1 3.37Å; I29-D211 WeakPolarHBondContact CD1-OD2 3.43Å; G152-D211 VanDerWaalsContact CA-OD1 3.24Å; G152-D211 WeakPolarHBondContact CA-OD1 3.44Å; W153-D211 PolarHBondContact N-OD1 2.92Å; G154-D211 VanDerWaalsContact CA-OD1 3.28Å; G154-D211 WeakPolarHBondContact CA-OD1 3.29Å; G154-D211 PolarHBondContact N-OD1 3Å; C208-D211 PolarHBondContact N-OD2 2.89Å; C208-D211 WeakPolarHBondContact O-CB 3.42Å; C208-D211 PolarHBondContact O-N 2.86Å; D211-G213 PolarHBondContact O-N 3.39Å; D211-S214 WeakPolarHBondContact O-CB 3.22Å; D211-S214 PolarHBondContact O-N 2.8Å; D211-T226 HydrophobicContact CB-CG2 4.44Å; D211-T226 WeakPolarHBondContact O-CB 3.47Å | ||
| 212 | S | 98.1 | Very high | 94.9 | Very high | 18 Ų | 18 | 35.6 Ų | 35.6 | 13% | 0.126 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | 131.9 | 174.7 | -67.6 | 0 | 0 | 0 | 0 | 111.7 | C54 A55 H69 S214 | C54-S212 WeakPolarHBondContact CB-O 3.17Å; A55-S212 PolarHBondContact N-O 2.79Å; H69-S212 VanDerWaalsContact CE1-CB 3.47Å; H69-S212 WeakPolarHBondContact CE1-CB 3.29Å; H69-S212 PolarHBondContact CE1-OG 2.89Å; H69-S212 WeakPolarHBondContact NE2-CB 3.49Å; H69-S212 PolarHBondContact NE2-OG 3.42Å; S212-S214 VanDerWaalsContact C-N 3.3Å |
| 213 | G | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -7.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | A55 G56 D211 T226 | A55-G213 CarbonylContact O-C 3.16Å; A55-G213 WeakPolarHBondContact O-CA 3.43Å; G56-G213 WeakPolarHBondContact CA-O 3.31Å; D211-G213 PolarHBondContact O-N 3.39Å; G213-T226 PolarHBondContact N-O 2.95Å |
| 214 | S | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -63 | 144.9 | 177.2 | 178.2 | 0 | 0 | 0 | 0 | 112.5 | V150 A151 D211 S212 V225 T226 | V150-S214 WeakPolarHBondContact CG2-OG 3.4Å; A151-S214 WeakPolarHBondContact O-CB 3.47Å; A151-S214 PolarHBondContact O-OG 2Å; D211-S214 WeakPolarHBondContact O-CB 3.22Å; D211-S214 PolarHBondContact O-N 2.8Å; S212-S214 VanDerWaalsContact C-N 3.3Å; S214-V225 WeakPolarHBondContact O-CA 3.32Å; S214-T226 PolarHBondContact O-N 2.75Å; S214-T226 PolarHBondContact O-OG1 2.98Å; S214-T226 VanDerWaalsContact O-OG1 3.13Å | ||
| 215 | P | 98.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.013 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 127.1 | 173 | 30.1 | -35.9 | 0 | 0 | 0 | 113.1 | Y42 M43 A57 L133 L217 F222 | Y42-P215 HydrophobicContact CD2-CG 4.11Å; Y42-P215 HydrophobicContact CE2-CG 3.82Å; M43-P215 HydrophobicContact SD-CG 3.67Å; A57-P215 HydrophobicContact CB-CB 4.11Å; A57-P215 HydrophobicContact CB-CG 4.06Å; L133-P215 HydrophobicContact CD2-CB 3.64Å; L133-P215 HydrophobicContact CD2-CG 4.04Å; P215-L217 HydrophobicContact CB-CD2 4.16Å; P215-F222 HydrophobicContact CB-CD2 3.7Å; P215-F222 HydrophobicContact CB-CE1 4.43Å; P215-F222 HydrophobicContact CB-CE2 3.32Å; P215-F222 HydrophobicContact CB-CG 4.43Å; P215-F222 HydrophobicContact CB-CZ 3.72Å |
| 216 | L | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 114.7 | 163.5 | -179.4 | 69.8 | 0 | 0 | 0 | 109.6 | C148 I171 I173 V196 A198 R223 G224 Y243 | C148-L216 HydrophobicContact CB-CD1 3.64Å; C148-L216 HydrophobicContact CB-CG 4.24Å; I171-L216 HydrophobicContact CD1-CD1 3.77Å; I171-L216 HydrophobicContact CG1-CD1 4.3Å; I173-L216 HydrophobicContact CD1-CD2 4.26Å; V196-L216 HydrophobicContact CG2-CD2 3.88Å; A198-L216 HydrophobicContact CB-CD1 4.49Å; L216-R223 PolarHBondContact O-N 3.25Å; L216-G224 WeakPolarHBondContact CB-O 3.35Å; L216-G224 PolarHBondContact N-O 3.41Å; L216-G224 PolarHBondContact O-N 3.47Å; L216-Y243 HydrophobicContact CB-CD1 3.66Å; L216-Y243 HydrophobicContact CB-CE1 4.09Å; L216-Y243 HydrophobicContact CB-CG 4.24Å; L216-Y243 HydrophobicContact CD1-CD1 4.2Å; L216-Y243 HydrophobicContact CD1-CE1 3.96Å; L216-Y243 HydrophobicContact CD2-CD1 4.07Å; L216-Y243 HydrophobicContact CD2-CD2 4.1Å; L216-Y243 HydrophobicContact CD2-CG 3.8Å; L216-Y243 HydrophobicContact CG-CD1 4.19Å; L216-Y243 HydrophobicContact CG-CE1 4.44Å; L216-Y243 HydrophobicContact CG-CG 4.43Å |
| 217 | L | 98.8 | Very high | 96.9 | Very high | 13 Ų | 13 | 20.2 Ų | 20.2 | 7% | 0.068 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 124.1 | 175.2 | -62.9 | -149.3 | 0 | 0 | 0 | 110.7 | Y42 L133 C148 Q149 P215 V221 F222 | Y42-L217 HydrophobicContact CE1-CD1 4.33Å; Y42-L217 HydrophobicContact CE2-CD1 4.5Å; Y42-L217 WeakPolarHBondContact OH-CD1 3.46Å; L133-L217 HydrophobicContact CD1-CD1 4.36Å; L133-L217 HydrophobicContact CD1-CD2 4.15Å; L133-L217 HydrophobicContact CD2-CD2 3.86Å; C148-L217 CarbonylContact C-O 3.58Å; C148-L217 WeakPolarHBondContact CA-O 3.34Å; C148-L217 WeakPolarHBondContact CB-O 3.47Å; Q149-L217 PolarHBondContact N-O 2.8Å; Q149-L217 PolarHBondContact O-N 3.46Å; Q149-L217 PolarHBondContact OE1-O 2.89Å; P215-L217 HydrophobicContact CB-CD2 4.16Å; L217-V221 CarbonylContact C-O 3.46Å; L217-V221 WeakPolarHBondContact CA-O 3.4Å; L217-F222 HydrophobicContact CD2-CB 3.93Å; L217-F222 HydrophobicContact CD2-CD2 4.24Å; L217-F222 HydrophobicContact CD2-CG 4.31Å |
| 218 | C | 98.6 | Very high | 97.3 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.02 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 122.2 | 174.2 | -55.8 | 0 | 0 | 0 | 0 | 109.1 | V142 T146 C148 G220 V221 R223 | V142-C218 HydrophobicContact CG1-CB 4.14Å; T146-C218 HydrophobicContact CG2-CB 4.06Å; C148-C218 HydrophobicContact CB-CB 4.01Å; C148-C218 WeakPolarHBondContact CB-SG 3.37Å; C148-C218 WeakPolarHBondContact SG-CB 3.29Å; C148-C218 CovalentContact SG-SG 2.04Å; C148-C218 PolarHBondContact SG-SG 3.35Å; C218-G220 PolarHBondContact O-N 2.61Å; C218-V221 PolarHBondContact N-O 3.26Å; C218-V221 PolarHBondContact O-N 2.97Å; C218-R223 HydrophobicContact CB-CB 4.42Å; C218-R223 HydrophobicContact CB-CG 3.84Å |
| 219 | N | 95.5 | Very high | 97.4 | Very high | 130 Ų | 130 | 22.1 Ų | 22.1 | 70% | 0.695 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 40.1 | -171.3 | -59.1 | -34.3 | 0 | 0 | 0 | 112.6 | V221 | N219-V221 PolarHBondContact O-N 2.68Š|
| 220 | G | 95.3 | Very high | 97.5 | Very high | 56 Ų | 56 | 22.6 Ų | 22.6 | 58% | 0.577 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | 3.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | C218 | C218-G220 PolarHBondContact O-N 2.61Š|
| 221 | V | 98.4 | Very high | 97.3 | Very high | 53 Ų | 53 | 30.6 Ų | 30.6 | 32% | 0.321 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 133.9 | 178 | -178.3 | 0 | 0 | 0 | 0 | 110 | P136 L217 C218 N219 R223 | P136-V221 HydrophobicContact CB-CG1 3.92Å; L217-V221 CarbonylContact C-O 3.46Å; L217-V221 WeakPolarHBondContact CA-O 3.4Å; C218-V221 PolarHBondContact N-O 3.26Å; C218-V221 PolarHBondContact O-N 2.97Å; N219-V221 PolarHBondContact O-N 2.68Å; V221-R223 HydrophobicContact CB-CG 4.46Å; V221-R223 HydrophobicContact CG1-CG 4.38Å; V221-R223 PolarHBondContact O-N 2.77Å; V221-R223 VanDerWaalsContact O-N 3.15Å |
| 222 | F | 98.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 108.4 | 172.9 | -170.2 | -175.1 | 0 | 0 | 0 | 110 | A57 I59 L65 L133 L135 P136 P215 L217 G224 V225 L246 | A57-F222 HydrophobicContact CB-CE1 3.77Å; A57-F222 HydrophobicContact CB-CZ 3.85Å; I59-F222 HydrophobicContact CG2-CE1 3.9Å; L65-F222 HydrophobicContact CD2-CE1 4.04Å; L65-F222 HydrophobicContact CD2-CZ 3.86Å; L133-F222 HydrophobicContact CD1-CB 4.38Å; L133-F222 HydrophobicContact CD2-CB 3.91Å; L133-F222 HydrophobicContact CD2-CD1 3.34Å; L133-F222 HydrophobicContact CD2-CD2 4.11Å; L133-F222 HydrophobicContact CD2-CE1 3.74Å; L133-F222 HydrophobicContact CD2-CE2 4.45Å; L133-F222 HydrophobicContact CD2-CG 3.54Å; L133-F222 HydrophobicContact CD2-CZ 4.28Å; L133-F222 HydrophobicContact CG-CB 4.02Å; L133-F222 HydrophobicContact CG-CD1 3.66Å; L133-F222 HydrophobicContact CG-CE1 4.34Å; L133-F222 HydrophobicContact CG-CG 4.04Å; L135-F222 HydrophobicContact CD2-CD1 4.5Å; P136-F222 VanDerWaalsContact CD-O 3.28Å; P136-F222 WeakPolarHBondContact CD-O 3.43Å; P136-F222 VanDerWaalsContact CG-O 3.24Å; P136-F222 WeakPolarHBondContact CG-O 3.35Å; P215-F222 HydrophobicContact CB-CD2 3.7Å; P215-F222 HydrophobicContact CB-CE1 4.43Å; P215-F222 HydrophobicContact CB-CE2 3.32Å; P215-F222 HydrophobicContact CB-CG 4.43Å; P215-F222 HydrophobicContact CB-CZ 3.72Å; L217-F222 HydrophobicContact CD2-CB 3.93Å; L217-F222 HydrophobicContact CD2-CD2 4.24Å; L217-F222 HydrophobicContact CD2-CG 4.31Å; F222-G224 WeakPolarHBondContact CE2-O 2.89Å; F222-V225 HydrophobicContact CE2-CG2 4.03Å; F222-V225 HydrophobicContact CZ-CG2 4.02Å; F222-L246 HydrophobicContact CB-CD1 4.44Å; F222-L246 HydrophobicContact CD1-CD1 3.94Å; F222-L246 HydrophobicContact CD2-CD1 3.71Å; F222-L246 HydrophobicContact CE1-CD1 4.13Å; F222-L246 HydrophobicContact CE2-CD1 3.87Å; F222-L246 HydrophobicContact CG-CD1 3.74Å; F222-L246 HydrophobicContact CZ-CD1 4.1Å |
| 223 | R | 98.8 | Very high | 96.4 | Very high | 51 Ų | 51 | 40.4 Ų | 40.4 | 19% | 0.192 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | -26.3 | -172.7 | -72.3 | -58.7 | -175 | 165.5 | -3.9 | 114.5 | D140 V142 L216 C218 V221 L246 | D140-R223 PolarHBondContact O-NH1 3.22Å; D140-R223 VanDerWaalsContact O-NH1 3.15Å; V142-R223 HydrophobicContact CG2-CB 3.76Å; V142-R223 HydrophobicContact CG2-CG 3.73Å; L216-R223 PolarHBondContact O-N 3.25Å; C218-R223 HydrophobicContact CB-CB 4.42Å; C218-R223 HydrophobicContact CB-CG 3.84Å; V221-R223 HydrophobicContact CB-CG 4.46Å; V221-R223 HydrophobicContact CG1-CG 4.38Å; V221-R223 PolarHBondContact O-N 2.77Å; V221-R223 VanDerWaalsContact O-N 3.15Å; R223-L246 PolarHBondContact O-N 3.36Å |
| 224 | G | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 172.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L216 F222 I244 | L216-G224 WeakPolarHBondContact CB-O 3.35Å; L216-G224 PolarHBondContact N-O 3.41Å; L216-G224 PolarHBondContact O-N 3.47Å; F222-G224 WeakPolarHBondContact CE2-O 2.89Å; G224-I244 CarbonylContact C-O 3.43Å; G224-I244 WeakPolarHBondContact CA-O 3.4Å |
| 225 | V | 98.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 129.1 | -178.6 | 177.1 | 0 | 0 | 0 | 0 | 109 | L65 L115 S214 F222 S227 Y243 I244 L246 | L65-V225 HydrophobicContact CD2-CG2 3.89Å; L65-V225 HydrophobicContact CG-CG2 4.16Å; L115-V225 HydrophobicContact CD2-CB 3.62Å; L115-V225 HydrophobicContact CD2-CG1 4.03Å; L115-V225 HydrophobicContact CD2-CG2 3.53Å; S214-V225 WeakPolarHBondContact O-CA 3.32Å; F222-V225 HydrophobicContact CE2-CG2 4.03Å; F222-V225 HydrophobicContact CZ-CG2 4.02Å; V225-S227 PolarHBondContact O-N 3.15Å; V225-Y243 CarbonylContact O-C 3.47Å; V225-Y243 WeakPolarHBondContact O-CA 3.33Å; V225-I244 PolarHBondContact N-O 3.31Å; V225-I244 PolarHBondContact O-N 3.5Å; V225-L246 HydrophobicContact CG2-CD2 4.19Å |
| 226 | T | 98.8 | Very high | 95.3 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 127.5 | 179.5 | -53.3 | 0 | 0 | 0 | 0 | 110.9 | D211 G213 S214 Y243 | D211-T226 HydrophobicContact CB-CG2 4.44Å; D211-T226 WeakPolarHBondContact O-CB 3.47Å; G213-T226 PolarHBondContact N-O 2.95Å; S214-T226 PolarHBondContact O-N 2.75Å; S214-T226 PolarHBondContact O-OG1 2.98Å; S214-T226 VanDerWaalsContact O-OG1 3.13Å; T226-Y243 HydrophobicContact CG2-CE1 4.2Å; T226-Y243 VanDerWaalsContact OG1-CE1 3.25Å; T226-Y243 WeakPolarHBondContact OG1-CE1 3.45Å |
| 227 | S | 98.5 | Very high | 95 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | -66 | -177.2 | -179 | 0 | 0 | 0 | 0 | 112.1 | H69 D114 V225 V242 | H69-S227 PolarHBondContact CE1-O 3.2Å; D114-S227 WeakPolarHBondContact CB-OG 3.41Å; D114-S227 WeakPolarHBondContact OD2-CB 3.37Å; D114-S227 PolarHBondContact OD2-OG 3.03Å; V225-S227 PolarHBondContact O-N 3.15Å; S227-V242 PolarHBondContact N-O 3.1Å |
| 228 | F | 97.8 | Very high | 94.9 | Very high | 25 Ų | 25 | 45.9 Ų | 45.9 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 167.1 | -175.1 | 72.2 | -86.2 | 0 | 0 | 0 | 113.2 | H111 Y185 P189 I191 M195 V242 | H111-F228 HydrophobicContact CB-CD1 3.52Å; H111-F228 HydrophobicContact CB-CE1 3.63Å; H111-F228 HydrophobicContact CB-CG 4.47Å; H111-F228 AromaticContact CD2-CD1 3.83Å; H111-F228 AromaticContact CD2-CG 4Å; H111-F228 AromaticContact CG-CD1 3.61Å; Y185-F228 HydrophobicContact CD1-CE2 4.38Å; Y185-F228 HydrophobicContact CE1-CD2 4.35Å; Y185-F228 AromaticContact CE1-CE2 3.7Å; Y185-F228 HydrophobicContact CE1-CE2 3.7Å; Y185-F228 AromaticContact CZ-CE2 3.93Å; P189-F228 HydrophobicContact CG-CE1 4.49Å; P189-F228 HydrophobicContact CG-CE2 3.59Å; P189-F228 HydrophobicContact CG-CZ 3.48Å; P189-F228 VanDerWaalsContact CG-CZ 3.48Å; I191-F228 HydrophobicContact CD1-CE2 4.43Å; I191-F228 HydrophobicContact CD1-CZ 3.78Å; M195-F228 HydrophobicContact SD-CE1 4.24Å; F228-V242 HydrophobicContact CD1-CB 3.93Å; F228-V242 HydrophobicContact CD1-CG1 4.11Å; F228-V242 HydrophobicContact CD2-CB 4.37Å; F228-V242 HydrophobicContact CD2-CG2 4.36Å; F228-V242 HydrophobicContact CE1-CB 3.61Å; F228-V242 HydrophobicContact CE1-CG1 3.43Å; F228-V242 VanDerWaalsContact CE1-CG1 3.43Å; F228-V242 HydrophobicContact CE1-CG2 4.12Å; F228-V242 HydrophobicContact CE2-CB 4.08Å; F228-V242 HydrophobicContact CE2-CG2 3.78Å; F228-V242 HydrophobicContact CG-CB 4.3Å; F228-V242 HydrophobicContact CZ-CB 3.69Å; F228-V242 HydrophobicContact CZ-CG1 3.71Å; F228-V242 HydrophobicContact CZ-CG2 3.65Å; F228-V242 PolarHBondContact N-O 3.25Å; F228-V242 PolarHBondContact O-N 3.15Å |
| 229 | G | 95.2 | Very high | 94.7 | Very high | 32 Ų | 32 | 45.8 Ų | 45.8 | 33% | 0.33 | 25% | 0.247 | S | C | . | . | trans | -144.1 | -172.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | K231 | G229-K231 PolarHBondContact O-N 3.42Š| ||
| 230 | R | 92.3 | Very high | 94.8 | Very high | 75 Ų | 75 | 39.8 Ų | 39.8 | 28% | 0.283 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -70 | 125.9 | 169.2 | -78.8 | -175.5 | 174.1 | -175.6 | -1.2 | 109.9 | H184 Y185 N232 R233 D236 G238 | H184-R230 PolarHBondContact O-NH2 3.38Å; Y185-R230 HydrophobicContact CE1-CG 4.32Å; R230-N232 PolarHBondContact O-N 3.03Å; R230-R233 HydrophobicContact CB-CB 3.89Å; R230-R233 CarbonylContact O-C 3.46Å; R230-R233 PolarHBondContact O-N 3.17Å; R230-D236 IonicContact NH1-OD2 3.87Å; R230-G238 PolarHBondContact NE-O 2.86Å; R230-G238 PolarHBondContact NH2-O 3Å |
| 231 | K | 88.3 | Confident | 95 | Very high | 176 Ų | 176 | 37.1 Ų | 37.1 | 77% | 0.765 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52 | 127.3 | -179 | -175.7 | 177.3 | -179.1 | 178 | 0 | 111.7 | G229 R233 | G229-K231 PolarHBondContact O-N 3.42Å; K231-R233 PolarHBondContact O-N 2.99Å |
| 232 | N | 85.6 | Confident | 95 | Very high | 87 Ų | 87 | 34.6 Ų | 34.6 | 47% | 0.465 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 23.8 | -179.1 | -55.6 | -27.3 | 0 | 0 | 0 | 114.5 | N158 R230 | N158-N232 PolarHBondContact OD1-O 3.14Å; R230-N232 PolarHBondContact O-N 3.03Å |
| 233 | R | 90.8 | Very high | 95 | Very high | 137 Ų | 137 | 34.5 Ų | 34.5 | 52% | 0.517 | 17% | 0.172 | S | C | . | . | trans | -138.1 | 35.4 | -179.2 | -62.2 | -169.8 | -176.2 | -162.5 | 2.6 | 111.4 | N158 R230 K231 G235 D236 | N158-R233 PolarHBondContact OD1-N 2.93Å; R230-R233 HydrophobicContact CB-CB 3.89Å; R230-R233 CarbonylContact O-C 3.46Å; R230-R233 PolarHBondContact O-N 3.17Å; K231-R233 PolarHBondContact O-N 2.99Å; R233-G235 PolarHBondContact O-N 2.77Å; R233-D236 HydrophobicContact CB-CB 3.93Å; R233-D236 IonicContact NH1-OD2 3.81Å; R233-D236 WeakPolarHBondContact O-CB 3.36Å; R233-D236 PolarHBondContact O-N 3.2Å | ||
| 234 | C | 90.8 | Very high | 95 | Very high | 11 Ų | 11 | 32.1 Ų | 32.1 | 7% | 0.074 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 136.1 | 171.7 | -53.1 | 0 | 0 | 0 | 0 | 108.7 | I30 N158 C208 D236 | I30-C234 VanDerWaalsContact CD1-C 3.5Å; I30-C234 HydrophobicContact CD1-CB 3.27Å; I30-C234 WeakPolarHBondContact CD1-O 3.36Å; I30-C234 HydrophobicContact CG1-CB 4.35Å; N158-C234 PolarHBondContact ND2-O 3.3Å; N158-C234 VanDerWaalsContact ND2-O 3.14Å; N158-C234 PolarHBondContact OD1-N 3.26Å; C208-C234 WeakPolarHBondContact CA-SG 3.42Å; C208-C234 HydrophobicContact CB-CB 3.58Å; C208-C234 WeakPolarHBondContact CB-SG 3.24Å; C208-C234 WeakPolarHBondContact SG-CB 3.43Å; C208-C234 CovalentContact SG-SG 2.04Å; C208-C234 PolarHBondContact SG-SG 3.15Å; C234-D236 VanDerWaalsContact C-N 3.28Å; C234-D236 PolarHBondContact O-N 3.03Å |
| 235 | G | 89.5 | Confident | 95 | Very high | 11 Ų | 11 | 32.3 Ų | 32.3 | 11% | 0.113 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | -0.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | G203 G204 D206 R233 | G203-G235 CarbonylContact C-O 3.56Å; G203-G235 WeakPolarHBondContact CA-O 3.05Å; G204-G235 PolarHBondContact N-O 3.08Å; D206-G235 VanDerWaalsContact CB-N 3.3Å; D206-G235 PolarHBondContact OD2-N 2.99Å; R233-G235 PolarHBondContact O-N 2.77Å |
| 236 | D | 93.6 | Very high | 95 | Very high | 44 Ų | 44 | 32.4 Ų | 32.4 | 24% | 0.235 | 16% | 0.164 | C | C | . | . | trans | -67.9 | 125 | 169.3 | -179.3 | -23.3 | 0 | 0 | 0 | 109.2 | R230 R233 C234 G238 G239 | R230-D236 IonicContact NH1-OD2 3.87Å; R233-D236 HydrophobicContact CB-CB 3.93Å; R233-D236 IonicContact NH1-OD2 3.81Å; R233-D236 WeakPolarHBondContact O-CB 3.36Å; R233-D236 PolarHBondContact O-N 3.2Å; C234-D236 VanDerWaalsContact C-N 3.28Å; C234-D236 PolarHBondContact O-N 3.03Å; D236-G238 PolarHBondContact O-N 2.83Å; D236-G238 VanDerWaalsContact O-N 3.15Å; D236-G238 WeakPolarHBondContact OD1-CA 3.14Å; D236-G238 PolarHBondContact OD1-N 3.29Å; D236-G239 CarbonylContact O-C 3.6Å; D236-G239 PolarHBondContact O-N 3.04Å | ||
| 237 | P | 93.1 | Very high | 95 | Very high | 57 Ų | 57 | 32.8 Ų | 32.8 | 37% | 0.37 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -27 | 179.5 | 23.5 | -32.7 | 0 | 0 | 0 | 113.3 | H184 G239 | H184-P237 PolarHBondContact CD2-O 2.04Å; H184-P237 PolarHBondContact NE2-O 2.83Å; P237-G239 PolarHBondContact O-N 3.19Å |
| 238 | G | 95.1 | Very high | 95 | Very high | 8 Ų | 8 | 40.4 Ų | 40.4 | 8% | 0.082 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K183 H184 R230 D236 | K183-G238 WeakPolarHBondContact O-CA 3.19Å; H184-G238 CarbonylContact C-O 3.47Å; H184-G238 VanDerWaalsContact CA-O 3.22Å; H184-G238 WeakPolarHBondContact CA-O 3.33Å; R230-G238 PolarHBondContact NE-O 2.86Å; R230-G238 PolarHBondContact NH2-O 3Å; D236-G238 PolarHBondContact O-N 2.83Å; D236-G238 VanDerWaalsContact O-N 3.15Å; D236-G238 WeakPolarHBondContact OD1-CA 3.14Å; D236-G238 PolarHBondContact OD1-N 3.29Å |
| 239 | G | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -147.1 | 58.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D236 P237 | D236-G239 CarbonylContact O-C 3.6Å; D236-G239 PolarHBondContact O-N 3.04Å; P237-G239 PolarHBondContact O-N 3.19Å |
| 240 | P | 97.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | trans | -61.7 | 146.3 | -179.2 | 29.3 | -36.5 | 0 | 0 | 0 | 111 | I174 Y185 C197 V242 | I174-P240 HydrophobicContact CD1-CB 3.52Å; I174-P240 HydrophobicContact CD1-CG 3.81Å; Y185-P240 HydrophobicContact CE2-CG 4.37Å; Y185-P240 PolarHBondContact OH-O 3.17Å; C197-P240 HydrophobicContact CB-CG 4.23Å; P240-V242 PolarHBondContact O-N 3.42Å | ||
| 241 | G | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51 | 137.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | C197 A198 D206 Y243 | C197-G241 WeakPolarHBondContact CA-O 3.17Å; A198-G241 PolarHBondContact N-O 3.44Å; A198-G241 PolarHBondContact O-N 2.96Å; D206-G241 VanDerWaalsContact OD1-CA 3.31Å; D206-G241 WeakPolarHBondContact OD1-CA 3.36Å; D206-G241 PolarHBondContact OD1-N 2.97Å; D206-G241 VanDerWaalsContact OD1-N 3.14Å; G241-Y243 WeakPolarHBondContact O-CD2 3.02Å; G241-Y243 VanDerWaalsContact O-CE2 3.27Å; G241-Y243 WeakPolarHBondContact O-CE2 3.36Å |
| 242 | V | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 132.2 | 179.1 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | Y185 I191 M195 V196 S227 F228 P240 | Y185-V242 HydrophobicContact CD2-CG2 4.5Å; Y185-V242 HydrophobicContact CE2-CG2 3.59Å; Y185-V242 WeakPolarHBondContact OH-CG2 3.3Å; I191-V242 HydrophobicContact CD1-CG1 4.24Å; I191-V242 HydrophobicContact CD1-CG2 3.8Å; M195-V242 HydrophobicContact CB-CG1 3.97Å; M195-V242 HydrophobicContact CG-CG1 4.23Å; M195-V242 HydrophobicContact SD-CG1 3.91Å; V196-V242 WeakPolarHBondContact O-CA 3.38Å; S227-V242 PolarHBondContact N-O 3.1Å; F228-V242 HydrophobicContact CD1-CB 3.93Å; F228-V242 HydrophobicContact CD1-CG1 4.11Å; F228-V242 HydrophobicContact CD2-CB 4.37Å; F228-V242 HydrophobicContact CD2-CG2 4.36Å; F228-V242 HydrophobicContact CE1-CB 3.61Å; F228-V242 HydrophobicContact CE1-CG1 3.43Å; F228-V242 VanDerWaalsContact CE1-CG1 3.43Å; F228-V242 HydrophobicContact CE1-CG2 4.12Å; F228-V242 HydrophobicContact CE2-CB 4.08Å; F228-V242 HydrophobicContact CE2-CG2 3.78Å; F228-V242 HydrophobicContact CG-CB 4.3Å; F228-V242 HydrophobicContact CZ-CB 3.69Å; F228-V242 HydrophobicContact CZ-CG1 3.71Å; F228-V242 HydrophobicContact CZ-CG2 3.65Å; F228-V242 PolarHBondContact N-O 3.25Å; F228-V242 PolarHBondContact O-N 3.15Å; P240-V242 PolarHBondContact O-N 3.42Å |
| 243 | Y | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 138.8 | -175.8 | -53.5 | -104.1 | 0 | 0 | 0 | 109.2 | V150 I171 M195 V196 A198 S207 L216 V225 T226 G241 L245 | V150-Y243 HydrophobicContact CB-CE1 4.33Å; V150-Y243 HydrophobicContact CG2-CE1 4.11Å; I171-Y243 HydrophobicContact CD1-CE2 4.17Å; I171-Y243 WeakPolarHBondContact CD1-OH 3.46Å; M195-Y243 CarbonylContact C-O 3.46Å; M195-Y243 VanDerWaalsContact CA-O 3.29Å; M195-Y243 WeakPolarHBondContact CA-O 3.28Å; V196-Y243 PolarHBondContact N-O 3.44Å; V196-Y243 PolarHBondContact O-N 3.31Å; A198-Y243 HydrophobicContact CB-CD2 4.15Å; A198-Y243 HydrophobicContact CB-CE2 3.72Å; S207-Y243 PolarHBondContact OG-OH 2.85Å; L216-Y243 HydrophobicContact CB-CD1 3.66Å; L216-Y243 HydrophobicContact CB-CE1 4.09Å; L216-Y243 HydrophobicContact CB-CG 4.24Å; L216-Y243 HydrophobicContact CD1-CD1 4.2Å; L216-Y243 HydrophobicContact CD1-CE1 3.96Å; L216-Y243 HydrophobicContact CD2-CD1 4.07Å; L216-Y243 HydrophobicContact CD2-CD2 4.1Å; L216-Y243 HydrophobicContact CD2-CG 3.8Å; L216-Y243 HydrophobicContact CG-CD1 4.19Å; L216-Y243 HydrophobicContact CG-CE1 4.44Å; L216-Y243 HydrophobicContact CG-CG 4.43Å; V225-Y243 CarbonylContact O-C 3.47Å; V225-Y243 WeakPolarHBondContact O-CA 3.33Å; T226-Y243 HydrophobicContact CG2-CE1 4.2Å; T226-Y243 VanDerWaalsContact OG1-CE1 3.25Å; T226-Y243 WeakPolarHBondContact OG1-CE1 3.45Å; G241-Y243 WeakPolarHBondContact O-CD2 3.02Å; G241-Y243 VanDerWaalsContact O-CE2 3.27Å; G241-Y243 WeakPolarHBondContact O-CE2 3.36Å; Y243-L245 PolarHBondContact O-N 2.98Å |
| 244 | I | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 116.6 | 172.4 | -49.7 | -51.4 | 0 | 0 | 0 | 107.8 | H111 D114 L115 M195 G224 V225 L246 Y250 | H111-I244 WeakPolarHBondContact O-CD1 3.43Å; D114-I244 HydrophobicContact CB-CD1 3.96Å; D114-I244 HydrophobicContact CB-CG1 3.91Å; L115-I244 HydrophobicContact CD1-CG2 3.77Å; L115-I244 HydrophobicContact CD2-CB 4.15Å; L115-I244 HydrophobicContact CD2-CG2 4.27Å; L115-I244 HydrophobicContact CG-CB 4.19Å; L115-I244 HydrophobicContact CG-CG1 4.49Å; L115-I244 HydrophobicContact CG-CG2 3.85Å; M195-I244 HydrophobicContact CE-CD1 4.39Å; M195-I244 HydrophobicContact CG-CD1 4.17Å; G224-I244 CarbonylContact C-O 3.43Å; G224-I244 WeakPolarHBondContact CA-O 3.4Å; V225-I244 PolarHBondContact N-O 3.31Å; V225-I244 PolarHBondContact O-N 3.5Å; I244-L246 PolarHBondContact O-N 3.44Å; I244-Y250 HydrophobicContact CG2-CD2 4.11Å; I244-Y250 HydrophobicContact CG2-CE2 3.65Å |
| 245 | L | 98.9 | Very high | 97.2 | Very high | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.026 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 132.6 | 177.5 | 178.7 | 68.3 | 0 | 0 | 0 | 108.8 | D141 V142 M193 N194 V196 Y243 S247 Y250 | D141-L245 HydrophobicContact CB-CD2 4.31Å; V142-L245 HydrophobicContact CG2-CD1 4.21Å; M193-L245 WeakPolarHBondContact O-CD2 3.22Å; N194-L245 WeakPolarHBondContact O-CB 3.29Å; N194-L245 PolarHBondContact O-N 2.9Å; V196-L245 HydrophobicContact CG1-CB 4.32Å; V196-L245 HydrophobicContact CG1-CD1 3.95Å; Y243-L245 PolarHBondContact O-N 2.98Å; L245-S247 PolarHBondContact O-N 3.28Å; L245-Y250 WeakPolarHBondContact O-CD2 3.24Å |
| 246 | L | 98.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | trans | -73.8 | 63.7 | 170.5 | -65.1 | -176.2 | 0 | 0 | 0 | 110.7 | L65 L135 P136 G139 F222 R223 V225 I244 L251 I254 | L65-L246 HydrophobicContact CD2-CD2 4.02Å; L135-L246 HydrophobicContact CD2-CD1 4.44Å; P136-L246 HydrophobicContact CG-CB 3.98Å; P136-L246 HydrophobicContact CG-CD1 4.12Å; G139-L246 WeakPolarHBondContact CA-O 3.18Å; F222-L246 HydrophobicContact CB-CD1 4.44Å; F222-L246 HydrophobicContact CD1-CD1 3.94Å; F222-L246 HydrophobicContact CD2-CD1 3.71Å; F222-L246 HydrophobicContact CE1-CD1 4.13Å; F222-L246 HydrophobicContact CE2-CD1 3.87Å; F222-L246 HydrophobicContact CG-CD1 3.74Å; F222-L246 HydrophobicContact CZ-CD1 4.1Å; R223-L246 PolarHBondContact O-N 3.36Å; V225-L246 HydrophobicContact CG2-CD2 4.19Å; I244-L246 PolarHBondContact O-N 3.44Å; L246-L251 HydrophobicContact CB-CD2 4.13Å; L246-L251 HydrophobicContact CB-CG 4.46Å; L246-L251 WeakPolarHBondContact O-CD1 3.33Å; L246-I254 HydrophobicContact CD2-CD1 4.13Å | ||
| 247 | S | 98.6 | Very high | 97.8 | Very high | 12 Ų | 12 | 31.6 Ų | 31.6 | 8% | 0.084 | 16% | 0.164 | C | C | . | . | trans | -69 | 167.1 | -179.9 | 78.4 | 0 | 0 | 0 | 0 | 111.5 | N194 L245 K249 Y250 L251 | N194-S247 PolarHBondContact OD1-OG 3.41Å; N194-S247 VanDerWaalsContact OD1-OG 3.12Å; L245-S247 PolarHBondContact O-N 3.28Å; S247-K249 PolarHBondContact O-N 3.34Å; S247-K249 VanDerWaalsContact O-N 3.11Å; S247-Y250 PolarHBondContact O-N 2.74Å; S247-Y250 VanDerWaalsContact OG-CD2 3.29Å; S247-Y250 WeakPolarHBondContact OG-CD2 3.42Å; S247-L251 WeakPolarHBondContact O-CG 3.49Å; S247-L251 PolarHBondContact O-N 2.98Å | ||
| 248 | K | 98.1 | Very high | 98 | Very high | 163 Ų | 163 | 30.5 Ų | 30.5 | 71% | 0.709 | 16% | 0.155 | S | C | * | . | H | α-helix | trans | -52.5 | -36.4 | 177.4 | -174.4 | 179.9 | 178.9 | -177.2 | 0 | 112.4 | S252 | K248-S252 WeakPolarHBondContact O-CB 3.35Å; K248-S252 PolarHBondContact O-N 3.36Å; K248-S252 VanDerWaalsContact O-N 3.08Å; K248-S252 PolarHBondContact O-OG 3.45Å |
| 249 | K | 97.9 | Very high | 97.9 | Very high | 84 Ų | 84 | 37.6 Ų | 37.6 | 37% | 0.365 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.4 | -51.6 | 177.2 | -176 | -176 | 74.3 | 178.7 | 0 | 111.2 | Y103 E112 N194 S247 W253 | Y103-K249 WeakPolarHBondContact OH-CD 3.22Å; Y103-K249 VanDerWaalsContact OH-CE 3.32Å; Y103-K249 WeakPolarHBondContact OH-CE 3.48Å; E112-K249 IonicContact OE1-NZ 3.55Å; N194-K249 PolarHBondContact ND2-NZ 3.1Å; S247-K249 PolarHBondContact O-N 3.34Å; S247-K249 VanDerWaalsContact O-N 3.11Å; K249-W253 PolarHBondContact O-N 3.32Å |
| 250 | Y | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -75.5 | -36.2 | -176.4 | -58.2 | -60.6 | 0 | 0 | 0 | 112.8 | Y103 G113 L115 N194 I244 L245 S247 S252 W253 I254 | Y103-Y250 HydrophobicContact CD1-CD1 4.37Å; Y103-Y250 AromaticContact CD1-CE1 3.87Å; Y103-Y250 HydrophobicContact CD1-CE1 3.87Å; Y103-Y250 HydrophobicContact CD2-CD1 4.25Å; Y103-Y250 HydrophobicContact CE1-CD1 4.09Å; Y103-Y250 AromaticContact CE1-CE1 3.47Å; Y103-Y250 HydrophobicContact CE1-CE1 3.47Å; Y103-Y250 VanDerWaalsContact CE1-CE1 3.47Å; Y103-Y250 AromaticContact CE2-CD1 3.98Å; Y103-Y250 HydrophobicContact CE2-CD1 3.98Å; Y103-Y250 HydrophobicContact CE2-CE1 4.21Å; Y103-Y250 HydrophobicContact CG-CD1 4.44Å; Y103-Y250 HydrophobicContact CG-CE1 4.37Å; Y103-Y250 AromaticContact CZ-CD1 3.88Å; Y103-Y250 AromaticContact CZ-CE1 3.66Å; G113-Y250 WeakPolarHBondContact CA-OH 3.43Å; G113-Y250 PolarHBondContact N-OH 3.22Å; L115-Y250 HydrophobicContact CD1-CD1 3.59Å; L115-Y250 HydrophobicContact CD1-CD2 4.12Å; L115-Y250 HydrophobicContact CD1-CE1 4.17Å; L115-Y250 HydrophobicContact CD1-CG 3.55Å; N194-Y250 HydrophobicContact CB-CE2 3.69Å; N194-Y250 WeakPolarHBondContact CB-OH 3.21Å; I244-Y250 HydrophobicContact CG2-CD2 4.11Å; I244-Y250 HydrophobicContact CG2-CE2 3.65Å; L245-Y250 WeakPolarHBondContact O-CD2 3.24Å; S247-Y250 PolarHBondContact O-N 2.74Å; S247-Y250 VanDerWaalsContact OG-CD2 3.29Å; S247-Y250 WeakPolarHBondContact OG-CD2 3.42Å; Y250-S252 VanDerWaalsContact C-N 3.32Å; Y250-S252 PolarHBondContact O-N 2.83Å; Y250-W253 PolarHBondContact O-N 2.79Å; Y250-I254 VanDerWaalsContact O-CG1 3.28Å; Y250-I254 WeakPolarHBondContact O-CG1 3.41Å; Y250-I254 PolarHBondContact O-N 3.03Å |
| 251 | L | 98.6 | Very high | 96.1 | Very high | 14 Ų | 14 | 41.9 Ų | 41.9 | 7% | 0.073 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.7 | -43.8 | 173.4 | -67.6 | 173.6 | 0 | 0 | 0 | 111.6 | L135 P136 L246 S247 W253 I254 I255 | L135-L251 HydrophobicContact CB-CD2 4.2Å; L135-L251 HydrophobicContact CD2-CD2 4.35Å; P136-L251 HydrophobicContact CG-CD1 4.02Å; P136-L251 HydrophobicContact CG-CD2 3.84Å; P136-L251 HydrophobicContact CG-CG 4.49Å; L246-L251 HydrophobicContact CB-CD2 4.13Å; L246-L251 HydrophobicContact CB-CG 4.46Å; L246-L251 WeakPolarHBondContact O-CD1 3.33Å; S247-L251 WeakPolarHBondContact O-CG 3.49Å; S247-L251 PolarHBondContact O-N 2.98Å; L251-W253 VanDerWaalsContact C-N 3.33Å; L251-W253 PolarHBondContact O-N 3.08Å; L251-I254 PolarHBondContact O-N 2.99Å; L251-I255 WeakPolarHBondContact O-CB 3.29Å; L251-I255 WeakPolarHBondContact O-CD1 3.36Å; L251-I255 VanDerWaalsContact O-CG1 3.24Å; L251-I255 WeakPolarHBondContact O-CG1 3.33Å; L251-I255 PolarHBondContact O-N 3.19Å |
| 252 | S | 98 | Very high | 94 | Very high | 68 Ų | 68 | 50.1 Ų | 50.1 | 48% | 0.476 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 174.9 | -67 | 0 | 0 | 0 | 0 | 111.9 | K248 Y250 M256 | K248-S252 WeakPolarHBondContact O-CB 3.35Å; K248-S252 PolarHBondContact O-N 3.36Å; K248-S252 VanDerWaalsContact O-N 3.08Å; K248-S252 PolarHBondContact O-OG 3.45Å; Y250-S252 VanDerWaalsContact C-N 3.32Å; Y250-S252 PolarHBondContact O-N 2.83Å; S252-M256 WeakPolarHBondContact O-CB 3.27Å; S252-M256 PolarHBondContact O-N 2.94Å |
| 253 | W | 98.6 | Very high | 93.8 | Very high | 19 Ų | 19 | 52.6 Ų | 52.6 | 7% | 0.072 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 175.6 | 166.7 | 74.2 | 0 | 0 | 0 | 111.8 | L65 F101 Y103 L115 L117 K249 Y250 L251 I255 M256 T257 | L65-W253 HydrophobicContact CD1-CZ3 4.43Å; F101-W253 VanDerWaalsContact O-CZ2 3.27Å; F101-W253 WeakPolarHBondContact O-CZ2 3.28Å; Y103-W253 HydrophobicContact CD2-CB 4.24Å; Y103-W253 AromaticContact CD2-CD1 3.9Å; Y103-W253 AromaticContact CD2-CD2 3.53Å; Y103-W253 HydrophobicContact CD2-CD2 3.53Å; Y103-W253 AromaticContact CD2-CE2 3.83Å; Y103-W253 AromaticContact CD2-CE3 3.92Å; Y103-W253 HydrophobicContact CD2-CE3 3.92Å; Y103-W253 AromaticContact CD2-CG 3.61Å; Y103-W253 HydrophobicContact CD2-CG 3.61Å; Y103-W253 HydrophobicContact CD2-CZ2 4.48Å; Y103-W253 HydrophobicContact CE2-CB 4.02Å; Y103-W253 HydrophobicContact CE2-CD2 4.22Å; Y103-W253 AromaticContact CE2-CG 3.84Å; Y103-W253 HydrophobicContact CE2-CG 3.84Å; L115-W253 HydrophobicContact CB-CH2 4.39Å; L115-W253 HydrophobicContact CB-CZ3 3.96Å; L117-W253 HydrophobicContact CB-CH2 4.25Å; L117-W253 HydrophobicContact CD1-CH2 3.97Å; L117-W253 HydrophobicContact CD1-CZ2 4.22Å; L117-W253 HydrophobicContact CD1-CZ3 4.26Å; L117-W253 HydrophobicContact CG-CH2 3.73Å; L117-W253 HydrophobicContact CG-CZ2 4.35Å; L117-W253 HydrophobicContact CG-CZ3 4.13Å; K249-W253 PolarHBondContact O-N 3.32Å; Y250-W253 PolarHBondContact O-N 2.79Å; L251-W253 VanDerWaalsContact C-N 3.33Å; L251-W253 PolarHBondContact O-N 3.08Å; W253-I255 PolarHBondContact O-N 3.37Å; W253-M256 PolarHBondContact O-N 3.38Å; W253-T257 PolarHBondContact NE1-OG1 3.21Å; W253-T257 WeakPolarHBondContact O-CB 3.32Å; W253-T257 PolarHBondContact O-N 2.75Å; W253-T257 PolarHBondContact O-OG1 3.15Å; W253-T257 VanDerWaalsContact O-OG1 3.11Å |
| 254 | I | 98.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56 | -51.4 | -180 | -67.9 | 162.7 | 0 | 0 | 0 | 110.5 | I59 L65 L117 L135 L246 Y250 L251 M256 T257 I258 | I59-I254 HydrophobicContact CD1-CG2 3.75Å; L65-I254 HydrophobicContact CD1-CD1 4.23Å; L65-I254 HydrophobicContact CD1-CG1 4.42Å; L65-I254 HydrophobicContact CD2-CD1 3.86Å; L117-I254 HydrophobicContact CD1-CB 4.43Å; L117-I254 HydrophobicContact CD1-CG1 4.45Å; L117-I254 HydrophobicContact CD1-CG2 4.25Å; L117-I254 HydrophobicContact CD2-CG2 4.3Å; L135-I254 HydrophobicContact CD1-CB 4.44Å; L135-I254 HydrophobicContact CD1-CG2 3.58Å; L135-I254 HydrophobicContact CD2-CD1 4.22Å; L135-I254 HydrophobicContact CD2-CG2 4.42Å; L246-I254 HydrophobicContact CD2-CD1 4.13Å; Y250-I254 VanDerWaalsContact O-CG1 3.28Å; Y250-I254 WeakPolarHBondContact O-CG1 3.41Å; Y250-I254 PolarHBondContact O-N 3.03Å; L251-I254 PolarHBondContact O-N 2.99Å; I254-M256 PolarHBondContact O-N 3.47Å; I254-T257 PolarHBondContact O-N 2.76Å; I254-I258 HydrophobicContact CG2-CD1 3.79Å; I254-I258 WeakPolarHBondContact O-CG1 3.27Å; I254-I258 PolarHBondContact O-N 2.96Å |
| 255 | I | 97.9 | Very high | 93.2 | Very high | 77 Ų | 77 | 58.4 Ų | 58.4 | 40% | 0.395 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64 | -42 | -177.3 | -66.1 | 165.1 | 0 | 0 | 0 | 111 | L135 L251 W253 K259 | L135-I255 HydrophobicContact CD1-CG1 4.45Å; L251-I255 WeakPolarHBondContact O-CB 3.29Å; L251-I255 WeakPolarHBondContact O-CD1 3.36Å; L251-I255 VanDerWaalsContact O-CG1 3.24Å; L251-I255 WeakPolarHBondContact O-CG1 3.33Å; L251-I255 PolarHBondContact O-N 3.19Å; W253-I255 PolarHBondContact O-N 3.37Å; I255-K259 HydrophobicContact CG2-CD 4.07Å; I255-K259 WeakPolarHBondContact O-CB 3.39Å; I255-K259 VanDerWaalsContact O-CG 3.32Å; I255-K259 WeakPolarHBondContact O-CG 3.45Å; I255-K259 PolarHBondContact O-N 3.29Å |
| 256 | M | 97.6 | Very high | 92.9 | Very high | 131 Ų | 131 | 61.6 Ų | 61.6 | 65% | 0.645 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -66.8 | -42 | 179.4 | -174.2 | 178.5 | 78 | 0 | 0 | 111.7 | S252 W253 I254 K259 G260 | S252-M256 WeakPolarHBondContact O-CB 3.27Å; S252-M256 PolarHBondContact O-N 2.94Å; W253-M256 PolarHBondContact O-N 3.38Å; I254-M256 PolarHBondContact O-N 3.47Å; M256-K259 PolarHBondContact O-N 3.42Å; M256-G260 PolarHBondContact O-N 3.07Å |
| 257 | T | 98.1 | Very high | 92.5 | Very high | 19 Ų | 19 | 65.3 Ų | 65.3 | 12% | 0.117 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 177.6 | -65.4 | 0 | 0 | 0 | 0 | 111.7 | W63 F101 L117 W253 I254 K259 G260 A261 | W63-T257 HydrophobicContact CH2-CG2 4.2Å; W63-T257 HydrophobicContact CZ3-CG2 4.16Å; F101-T257 HydrophobicContact CB-CG2 3.91Å; F101-T257 HydrophobicContact CD1-CG2 3.66Å; F101-T257 HydrophobicContact CD2-CG2 4.38Å; F101-T257 HydrophobicContact CE1-CG2 4.19Å; F101-T257 HydrophobicContact CG-CG2 3.75Å; L117-T257 HydrophobicContact CD1-CG2 3.71Å; W253-T257 PolarHBondContact NE1-OG1 3.21Å; W253-T257 WeakPolarHBondContact O-CB 3.32Å; W253-T257 PolarHBondContact O-N 2.75Å; W253-T257 PolarHBondContact O-OG1 3.15Å; W253-T257 VanDerWaalsContact O-OG1 3.11Å; I254-T257 PolarHBondContact O-N 2.76Å; T257-K259 PolarHBondContact O-N 2.83Å; T257-G260 PolarHBondContact O-N 2.89Å; T257-A261 VanDerWaalsContact O-CB 3.3Å; T257-A261 WeakPolarHBondContact O-CB 3.38Å; T257-A261 PolarHBondContact O-N 2.68Å |
| 258 | I | 96.6 | Very high | 92.1 | Very high | 35 Ų | 35 | 68.9 Ų | 68.9 | 18% | 0.179 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 177.5 | -67.2 | 169.8 | 0 | 0 | 0 | 110.4 | I59 W63 L117 I254 | I59-I258 HydrophobicContact CD1-CD1 3.82Å; W63-I258 HydrophobicContact CD2-CG1 3.77Å; W63-I258 HydrophobicContact CE3-CG1 4.08Å; W63-I258 HydrophobicContact CG-CD1 4.36Å; W63-I258 HydrophobicContact CG-CG1 4.02Å; L117-I258 HydrophobicContact CD1-CG1 4.42Å; I254-I258 HydrophobicContact CG2-CD1 3.79Å; I254-I258 WeakPolarHBondContact O-CG1 3.27Å; I254-I258 PolarHBondContact O-N 2.96Å |
| 259 | K | 93.1 | Very high | 91.7 | Very high | 156 Ų | 156 | 62.1 Ų | 62.1 | 68% | 0.678 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -66.6 | -36.6 | -179.8 | -73.9 | 179.3 | 179.2 | -176.2 | 0 | 113.7 | I255 M256 T257 | I255-K259 HydrophobicContact CG2-CD 4.07Å; I255-K259 WeakPolarHBondContact O-CB 3.39Å; I255-K259 VanDerWaalsContact O-CG 3.32Å; I255-K259 WeakPolarHBondContact O-CG 3.45Å; I255-K259 PolarHBondContact O-N 3.29Å; M256-K259 PolarHBondContact O-N 3.42Å; T257-K259 PolarHBondContact O-N 2.83Å |
| 260 | G | 84.6 | Confident | 91.2 | Very high | 68 Ų | 68 | 60.5 Ų | 60.5 | 70% | 0.701 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -84.8 | -7.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | M256 T257 | M256-G260 PolarHBondContact O-N 3.07Å; T257-G260 PolarHBondContact O-N 2.89Å |
| 261 | A | 71.4 | Confident | 90.6 | Very high | 27 Ų | 27 | 65.5 Ų | 65.5 | 22% | 0.223 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -2.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | W63 F101 T257 | W63-A261 HydrophobicContact CH2-CB 3.64Å; W63-A261 HydrophobicContact CZ2-CB 3.59Å; F101-A261 HydrophobicContact CZ-CB 3.94Å; T257-A261 VanDerWaalsContact O-CB 3.3Å; T257-A261 WeakPolarHBondContact O-CB 3.38Å; T257-A261 PolarHBondContact O-N 2.68Å |
| 262 | V | 53.7 | Low | 89.8 | Confident | 172 Ų | 172 | 70.2 Ų | 70.2 | 100% | 1.042 | 41% | 0.412 | S | S | * | . | trans | -83.9 | 0 | 168.4 | 178.9 | 0 | 0 | 0 | 0 | 109.4 |
Retrieved 262 of 262 residues in 187.4 ms
(Link to these results)