| 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 | 31.5 | Very low | 51 | Low | 245 Ų | 245 | 130.4 Ų | 130.4 | 100% | 1.207 | 74% | 0.735 | S | S | * | * | 0 | 114.8 | 0 | -76.9 | 165.7 | 169.2 | 0 | 0 | 107.2 | G3 | M1-G3 PolarHBondContact O-N 2.81Š| |||
| 2 | K | 34 | Very low | 54.3 | Low | 200 Ų | 200 | 122.5 Ų | 122.5 | 87% | 0.87 | 69% | 0.69 | S | S | * | * | trans | -69.2 | 123.1 | 178.5 | -75.1 | 178.6 | 174.2 | -179.2 | 0 | 107.3 | A4 | K2-A4 PolarHBondContact O-N 2.67Š| ||
| 3 | G | 37.2 | Very low | 57.4 | Low | 76 Ų | 76 | 124.3 Ų | 124.3 | 78% | 0.784 | 69% | 0.685 | S | S | * | * | trans | -54.5 | 114.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | M1 V5 | M1-G3 PolarHBondContact O-N 2.81Å; G3-V5 PolarHBondContact O-N 2.97Å | ||
| 4 | A | 45.6 | Very low | 60.1 | Low | 93 Ų | 93 | 115.6 Ų | 115.6 | 77% | 0.769 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 130.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | K2 D6 | K2-A4 PolarHBondContact O-N 2.67Å; A4-D6 PolarHBondContact O-N 2.86Å; A4-D6 VanDerWaalsContact O-N 3.09Å |
| 5 | V | 48 | Very low | 62.5 | Low | 110 Ų | 110 | 111.8 Ų | 111.8 | 67% | 0.667 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 121.6 | 169.7 | -179.5 | 0 | 0 | 0 | 0 | 106 | G3 P7 | G3-V5 PolarHBondContact O-N 2.97Å; V5-P7 WeakPolarHBondContact O-CD 3.49Å; V5-P7 VanDerWaalsContact O-N 3.15Å |
| 6 | D | 43 | Very low | 64.7 | Low | 103 Ų | 103 | 104.9 Ų | 104.9 | 55% | 0.551 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 120.2 | -179.8 | -147.9 | -21.1 | 0 | 0 | 0 | 107.9 | A4 E8 Y9 | A4-D6 PolarHBondContact O-N 2.86Å; A4-D6 VanDerWaalsContact O-N 3.09Å; D6-E8 PolarHBondContact O-N 3.17Å; D6-Y9 HydrophobicContact CB-CD2 4.45Å; D6-Y9 PolarHBondContact O-N 3.18Å |
| 7 | P | 50.1 | Low | 66.6 | Low | 129 Ų | 129 | 98.7 Ų | 98.7 | 84% | 0.838 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -11 | -175.8 | -23.5 | 32.2 | 0 | 0 | 0 | 114.1 | V5 | V5-P7 WeakPolarHBondContact O-CD 3.49Å; V5-P7 VanDerWaalsContact O-N 3.15Å |
| 8 | E | 52.2 | Low | 68.3 | Low | 174 Ų | 174 | 93.2 Ų | 93.2 | 81% | 0.813 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -10 | -175.6 | -156.2 | 159.1 | -152.4 | 0 | 0 | 114.5 | D6 S10 | D6-E8 PolarHBondContact O-N 3.17Å; E8-S10 PolarHBondContact O-N 3.02Å |
| 9 | Y | 57.2 | Low | 69.8 | Low | 126 Ų | 126 | 88.3 Ų | 88.3 | 49% | 0.494 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -74.3 | 96.8 | 171.5 | -88.4 | -76.2 | 0 | 0 | 0 | 110.9 | D6 I11 E59 | D6-Y9 HydrophobicContact CB-CD2 4.45Å; D6-Y9 PolarHBondContact O-N 3.18Å; Y9-I11 PolarHBondContact O-N 2.92Å; Y9-E59 PolarHBondContact OH-OE2 3.3Å |
| 10 | S | 76.1 | Confident | 71.2 | Confident | 100 Ų | 100 | 84 Ų | 84 | 70% | 0.699 | 46% | 0.46 | S | S | * | . | trans | -52.9 | 124.8 | 176.6 | 63.5 | 0 | 0 | 0 | 0 | 111.5 | E8 I12 | E8-S10 PolarHBondContact O-N 3.02Å; S10-I12 PolarHBondContact O-N 2.77Å | ||
| 11 | I | 86.5 | Confident | 72.3 | Confident | 78 Ų | 78 | 80.7 Ų | 80.7 | 40% | 0.4 | 44% | 0.441 | S | S | . | . | trans | -70.7 | 119.6 | 175.2 | -61.7 | 173.4 | 0 | 0 | 0 | 108.8 | Y9 K13 S61 R63 | Y9-I11 PolarHBondContact O-N 2.92Å; I11-K13 PolarHBondContact O-N 2.7Å; I11-S61 WeakPolarHBondContact CA-O 3.47Å; I11-R63 HydrophobicContact CG2-CB 3.71Å | ||
| 12 | I | 90.7 | Very high | 75.2 | Confident | 36 Ų | 36 | 74.1 Ų | 74.1 | 19% | 0.185 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 115.7 | 174.7 | -63.3 | 167.1 | 0 | 0 | 0 | 107.9 | S10 K60 S61 I62 R63 I178 | S10-I12 PolarHBondContact O-N 2.77Å; I12-K60 HydrophobicContact CD1-CB 4.35Å; I12-K60 HydrophobicContact CD1-CD 3.9Å; I12-K60 HydrophobicContact CD1-CG 4.42Å; I12-S61 PolarHBondContact N-O 2.98Å; I12-I62 HydrophobicContact CB-CG1 4.22Å; I12-I62 CarbonylContact O-C 3.53Å; I12-I62 VanDerWaalsContact O-CA 3.32Å; I12-I62 WeakPolarHBondContact O-CA 3.32Å; I12-R63 PolarHBondContact O-N 3.27Å; I12-I178 HydrophobicContact CD1-CD1 3.96Å; I12-I178 HydrophobicContact CG1-CD1 4.46Å; I12-I178 HydrophobicContact CG2-CD1 3.5Å; I12-I178 VanDerWaalsContact CG2-CD1 3.5Å |
| 13 | K | 93.8 | Very high | 78.1 | Confident | 146 Ų | 146 | 65.6 Ų | 65.6 | 64% | 0.635 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 127.8 | 173.7 | -63.2 | 175.7 | -174.8 | 172.1 | 0 | 108.9 | I11 R63 | I11-K13 PolarHBondContact O-N 2.7Å; K13-R63 HydrophobicContact CG-CB 4.5Å |
| 14 | S | 95.1 | Very high | 80.9 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 124.1 | 176.9 | -170.3 | 0 | 0 | 0 | 0 | 109.6 | R63 Q65 S87 I174 | S14-R63 PolarHBondContact N-O 2.89Å; S14-Q65 PolarHBondContact O-N 3.15Å; S14-S87 PolarHBondContact OG-OG 3.17Å; S14-I174 VanDerWaalsContact OG-CD1 3.22Å; S14-I174 WeakPolarHBondContact OG-CD1 3.3Å |
| 15 | K | 96 | Very high | 83.4 | Confident | 58 Ų | 58 | 58 Ų | 58 | 25% | 0.252 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 124.1 | 177.6 | -76.4 | 179.7 | 177.1 | -173.1 | 0 | 109.2 | Q65 D85 S86 S87 V88 | K15-Q65 HydrophobicContact CG-CB 4.14Å; K15-D85 HydrophobicContact CD-CB 3.68Å; K15-D85 WeakPolarHBondContact CD-O 3.48Å; K15-D85 VanDerWaalsContact NZ-CB 3.35Å; K15-D85 IonicContact NZ-OD2 3.68Å; K15-D85 PolarHBondContact NZ-OD2 2.8Å; K15-S86 WeakPolarHBondContact O-CA 3.38Å; K15-S87 PolarHBondContact N-OG 3.27Å; K15-S87 PolarHBondContact O-N 3.1Å; K15-S87 PolarHBondContact O-OG 3.26Å; K15-V88 PolarHBondContact O-N 2.86Å; K15-V88 VanDerWaalsContact O-N 3.1Å |
| 16 | C | 97.6 | Very high | 85.8 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.007 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 114 | 178.5 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | Q65 L66 W67 V88 I90 | C16-Q65 PolarHBondContact N-O 3.05Å; C16-L66 HydrophobicContact CB-CD2 3.89Å; C16-L66 WeakPolarHBondContact O-CA 3.41Å; C16-W67 PolarHBondContact O-N 3.26Å; C16-V88 VanDerWaalsContact CA-O 3.32Å; C16-V88 WeakPolarHBondContact CA-O 3.24Å; C16-V88 HydrophobicContact CB-CB 4.15Å; C16-I90 WeakPolarHBondContact SG-CD1 3.46Å |
| 17 | V | 97 | Very high | 88.3 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 134 | 175.9 | 65.4 | 0 | 0 | 0 | 0 | 110.4 | L19 W67 T69 I83 S86 V88 A89 I90 | V17-L19 HydrophobicContact CG1-CD1 4.21Å; V17-L19 HydrophobicContact CG1-CG 4.33Å; V17-L19 HydrophobicContact CG2-CD2 4.04Å; V17-L19 HydrophobicContact CG2-CG 4.19Å; V17-W67 HydrophobicContact CB-CB 4.48Å; V17-W67 HydrophobicContact CG2-CB 4.37Å; V17-T69 HydrophobicContact CG2-CG2 3.62Å; V17-I83 HydrophobicContact CG1-CG1 4.39Å; V17-S86 WeakPolarHBondContact CB-OG 3.5Å; V17-V88 PolarHBondContact N-O 3.09Å; V17-A89 HydrophobicContact CG1-CB 3.99Å; V17-A89 WeakPolarHBondContact O-CA 3.47Å; V17-I90 PolarHBondContact O-N 2.82Å |
| 18 | F | 98.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 126.4 | 173 | -75.8 | -109.1 | 0 | 0 | 0 | 109.3 | K26 I29 I30 L66 W67 T69 I90 V92 F167 | F18-K26 HydrophobicContact CB-CB 4.11Å; F18-K26 HydrophobicContact CB-CD 4.1Å; F18-K26 HydrophobicContact CB-CG 4.28Å; F18-K26 HydrophobicContact CD1-CB 4.47Å; F18-I29 HydrophobicContact CE1-CG2 3.98Å; F18-I30 HydrophobicContact CB-CD1 4.28Å; F18-I30 HydrophobicContact CD1-CD1 4.16Å; F18-I30 HydrophobicContact CD1-CG1 4.12Å; F18-I30 HydrophobicContact CD2-CD1 3.65Å; F18-I30 HydrophobicContact CD2-CG1 4.01Å; F18-I30 HydrophobicContact CE1-CD1 4.42Å; F18-I30 HydrophobicContact CE1-CG1 3.91Å; F18-I30 HydrophobicContact CE2-CD1 3.96Å; F18-I30 HydrophobicContact CE2-CG1 3.8Å; F18-I30 HydrophobicContact CG-CD1 3.77Å; F18-I30 HydrophobicContact CG-CG1 4.16Å; F18-I30 HydrophobicContact CZ-CD1 4.33Å; F18-I30 HydrophobicContact CZ-CG1 3.75Å; F18-L66 HydrophobicContact CE2-CB 4.21Å; F18-L66 HydrophobicContact CE2-CD2 4.16Å; F18-W67 PolarHBondContact N-O 3.4Å; F18-T69 WeakPolarHBondContact O-CB 3.23Å; F18-T69 WeakPolarHBondContact O-CG2 3.38Å; F18-T69 PolarHBondContact O-OG1 3.38Å; F18-I90 CarbonylContact C-O 3.45Å; F18-I90 WeakPolarHBondContact CA-O 3.39Å; F18-I90 HydrophobicContact CD1-CB 4.07Å; F18-I90 HydrophobicContact CD1-CG2 3.98Å; F18-I90 HydrophobicContact CE1-CB 4.11Å; F18-I90 HydrophobicContact CE1-CD1 3.87Å; F18-I90 HydrophobicContact CE1-CG2 3.89Å; F18-I90 HydrophobicContact CE2-CD1 4Å; F18-I90 HydrophobicContact CG-CB 4.38Å; F18-I90 HydrophobicContact CZ-CB 4.45Å; F18-I90 HydrophobicContact CZ-CD1 3.51Å; F18-I90 HydrophobicContact CZ-CG1 4.49Å; F18-V92 HydrophobicContact CD1-CG2 4.16Å; F18-F167 HydrophobicContact CE1-CZ 4.44Å; F18-F167 AromaticContact CZ-CE1 3.9Å; F18-F167 HydrophobicContact CZ-CE1 3.9Å; F18-F167 AromaticContact CZ-CZ 3.7Å; F18-F167 HydrophobicContact CZ-CZ 3.7Å |
| 19 | L | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 163.1 | -177.6 | -61.6 | 169 | 0 | 0 | 0 | 110.1 | V17 K26 T69 I79 I83 I90 V91 V92 W107 I111 | V17-L19 HydrophobicContact CG1-CD1 4.21Å; V17-L19 HydrophobicContact CG1-CG 4.33Å; V17-L19 HydrophobicContact CG2-CD2 4.04Å; V17-L19 HydrophobicContact CG2-CG 4.19Å; L19-K26 VanDerWaalsContact C-CD 3.46Å; L19-K26 WeakPolarHBondContact O-CD 3.47Å; L19-T69 HydrophobicContact CD2-CG2 4.08Å; L19-I79 HydrophobicContact CD2-CG2 3.45Å; L19-I79 VanDerWaalsContact CD2-CG2 3.45Å; L19-I83 HydrophobicContact CD1-CD1 3.84Å; L19-I83 HydrophobicContact CD1-CG1 3.95Å; L19-I83 HydrophobicContact CD2-CD1 4.48Å; L19-I90 PolarHBondContact N-O 3.01Å; L19-V91 HydrophobicContact CB-CG2 4.47Å; L19-V91 WeakPolarHBondContact O-CA 3.45Å; L19-V92 PolarHBondContact O-N 3.02Å; L19-W107 HydrophobicContact CB-CB 4.3Å; L19-W107 HydrophobicContact CB-CD2 4.24Å; L19-W107 HydrophobicContact CB-CE3 4.28Å; L19-W107 HydrophobicContact CB-CG 4.28Å; L19-W107 HydrophobicContact CD2-CE3 4.1Å; L19-W107 HydrophobicContact CD2-CZ3 4.3Å; L19-I111 HydrophobicContact CD1-CD1 3.77Å; L19-I111 HydrophobicContact CD1-CG1 3.67Å |
| 20 | G | 96.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | trans | 131.3 | 167.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K26 G71 V92 | G20-K26 PolarHBondContact O-NZ 3.29Å; G20-G71 WeakPolarHBondContact O-CA 3.32Å; G20-V92 WeakPolarHBondContact CA-O 3.32Å | ||
| 21 | E | 95.3 | Very high | 95.7 | Very high | 15 Ų | 15 | 29.8 Ų | 29.8 | 7% | 0.07 | 16% | 0.156 | C | C | . | . | trans | -62.8 | 161.3 | -176.5 | -67.3 | -55.6 | 107.7 | 0 | 0 | 113.5 | A24 K26 R103 W107 | E21-A24 WeakPolarHBondContact O-CB 3.48Å; E21-A24 PolarHBondContact O-N 3.4Å; E21-K26 PolarHBondContact O-NZ 2.79Å; E21-R103 HydrophobicContact CG-CB 3.74Å; E21-R103 HydrophobicContact CG-CG 4.29Å; E21-R103 WeakPolarHBondContact OE1-CD 3.43Å; E21-R103 WeakPolarHBondContact OE2-CD 3.29Å; E21-R103 IonicContact OE2-CZ 2.8Å; E21-R103 IonicContact OE2-NE 2.77Å; E21-R103 IonicContact OE2-NH1 2.79Å; E21-R103 PolarHBondContact OE2-NH1 2.98Å; E21-W107 PolarHBondContact OE1-NE1 3.32Å; E21-W107 VanDerWaalsContact OE1-NE1 3.1Å | ||
| 22 | H | 92.7 | Very high | 96.3 | Very high | 107 Ų | 107 | 27.7 Ų | 27.7 | 50% | 0.495 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 140.6 | 169.8 | 69.8 | 87.7 | 0 | 0 | 0 | 110.1 | A24 G71 Q72 | H22-A24 PolarHBondContact O-N 3.22Å; H22-G71 PolarHBondContact N-O 3.33Å; H22-Q72 HydrophobicContact CB-CG 4.34Å |
| 23 | G | 94.4 | Very high | 96.6 | Very high | 22 Ų | 22 | 26.5 Ų | 26.5 | 23% | 0.227 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | -3.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | G25 Y42 K127 | G23-G25 PolarHBondContact O-N 3.05Å; G23-Y42 PolarHBondContact N-OH 3.39Å; G23-K127 WeakPolarHBondContact O-CE 3.22Å; G23-K127 PolarHBondContact O-NZ 2.77Å |
| 24 | A | 96.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.008 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -63.5 | -22.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | E21 H22 V92 N126 | E21-A24 WeakPolarHBondContact O-CB 3.48Å; E21-A24 PolarHBondContact O-N 3.4Å; H22-A24 PolarHBondContact O-N 3.22Å; A24-V92 HydrophobicContact CB-CB 4.42Å; A24-V92 HydrophobicContact CB-CG1 4.17Å; A24-N126 PolarHBondContact O-ND2 2.92Å |
| 25 | G | 97.5 | Very high | 96.8 | Very high | 9 Ų | 9 | 26.1 Ų | 26.1 | 9% | 0.093 | 14% | 0.137 | C | C | . | . | trans | 99.5 | 24.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | G23 S28 I29 | G23-G25 PolarHBondContact O-N 3.05Å; G25-S28 PolarHBondContact O-N 3.38Å; G25-I29 WeakPolarHBondContact O-CG1 3.48Å; G25-I29 PolarHBondContact O-N 2.95Å | ||
| 26 | K | 97.5 | Very high | 96.8 | Very high | 8 Ų | 8 | 28.6 Ų | 28.6 | 4% | 0.035 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -50.5 | -57.8 | 173.8 | -60.2 | -176.6 | -62.6 | -76.6 | 0 | 112.3 | F18 L19 G20 E21 S28 I29 I30 D68 T69 V92 | F18-K26 HydrophobicContact CB-CB 4.11Å; F18-K26 HydrophobicContact CB-CD 4.1Å; F18-K26 HydrophobicContact CB-CG 4.28Å; F18-K26 HydrophobicContact CD1-CB 4.47Å; L19-K26 VanDerWaalsContact C-CD 3.46Å; L19-K26 WeakPolarHBondContact O-CD 3.47Å; G20-K26 PolarHBondContact O-NZ 3.29Å; E21-K26 PolarHBondContact O-NZ 2.79Å; K26-S28 VanDerWaalsContact C-N 3.29Å; K26-S28 PolarHBondContact O-N 2.83Å; K26-I29 PolarHBondContact O-N 3.33Å; K26-I30 WeakPolarHBondContact O-CG1 3.46Å; K26-I30 PolarHBondContact O-N 3.07Å; K26-D68 WeakPolarHBondContact CB-OD1 3.44Å; K26-T69 WeakPolarHBondContact CE-O 3.3Å; K26-V92 HydrophobicContact CG-CB 4Å; K26-V92 HydrophobicContact CG-CG2 3.95Å |
| 27 | T | 97 | Very high | 96.7 | Very high | 40 Ų | 40 | 31.8 Ų | 31.8 | 25% | 0.245 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.1 | -43.2 | 175.9 | -42.9 | 0 | 0 | 0 | 0 | 111.8 | I29 I30 L31 T45 D68 | T27-I29 PolarHBondContact O-N 3.5Å; T27-I30 PolarHBondContact O-N 2.91Å; T27-L31 HydrophobicContact CG2-CD1 3.97Å; T27-L31 HydrophobicContact CG2-CG 4.25Å; T27-L31 WeakPolarHBondContact O-CB 3.37Å; T27-L31 VanDerWaalsContact O-CG 3.29Å; T27-L31 WeakPolarHBondContact O-CG 3.46Å; T27-L31 PolarHBondContact O-N 2.72Å; T27-T45 PolarHBondContact OG1-OG1 3.03Å; T27-D68 WeakPolarHBondContact CA-OD2 3.35Å; T27-D68 VanDerWaalsContact CB-OD2 3.26Å; T27-D68 WeakPolarHBondContact CB-OD2 3.49Å; T27-D68 WeakPolarHBondContact CG2-OD2 3.36Å; T27-D68 PolarHBondContact OG1-OD2 3.02Å |
| 28 | S | 97.9 | Very high | 96.7 | Very high | 34 Ų | 34 | 35.1 Ų | 35.1 | 24% | 0.238 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.3 | -40.2 | 179.9 | -49.8 | 0 | 0 | 0 | 0 | 112.7 | G25 K26 R32 | G25-S28 PolarHBondContact O-N 3.38Å; K26-S28 VanDerWaalsContact C-N 3.29Å; K26-S28 PolarHBondContact O-N 2.83Å; S28-R32 VanDerWaalsContact O-CB 3.3Å; S28-R32 WeakPolarHBondContact O-CB 3.31Å; S28-R32 PolarHBondContact O-N 2.78Å |
| 29 | I | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.8 | -45.8 | 174.5 | -69.8 | 166.7 | 0 | 0 | 0 | 110 | F18 G25 K26 T27 R32 F33 V92 V124 N126 A157 I163 L166 F167 | F18-I29 HydrophobicContact CE1-CG2 3.98Å; G25-I29 WeakPolarHBondContact O-CG1 3.48Å; G25-I29 PolarHBondContact O-N 2.95Å; K26-I29 PolarHBondContact O-N 3.33Å; T27-I29 PolarHBondContact O-N 3.5Å; I29-R32 PolarHBondContact O-N 3.39Å; I29-F33 WeakPolarHBondContact O-CB 3.48Å; I29-F33 PolarHBondContact O-N 3.39Å; I29-V92 HydrophobicContact CD1-CG1 3.78Å; I29-V92 HydrophobicContact CD1-CG2 4.08Å; I29-V124 HydrophobicContact CD1-CG1 4.14Å; I29-N126 HydrophobicContact CD1-CB 4.08Å; I29-A157 HydrophobicContact CG1-CB 4.15Å; I29-I163 HydrophobicContact CB-CD1 4.41Å; I29-I163 HydrophobicContact CG1-CD1 4.14Å; I29-I163 HydrophobicContact CG2-CD1 4.08Å; I29-L166 HydrophobicContact CG2-CD2 4.19Å; I29-F167 HydrophobicContact CG2-CE2 4.03Å; I29-F167 HydrophobicContact CG2-CZ 4.21Å |
| 30 | I | 97.9 | Very high | 96.1 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.2 | -50.5 | 178.6 | -67.8 | 168.9 | 0 | 0 | 0 | 110.4 | F18 K26 T27 R32 F33 M34 V51 L66 D68 | F18-I30 HydrophobicContact CB-CD1 4.28Å; F18-I30 HydrophobicContact CD1-CD1 4.16Å; F18-I30 HydrophobicContact CD1-CG1 4.12Å; F18-I30 HydrophobicContact CD2-CD1 3.65Å; F18-I30 HydrophobicContact CD2-CG1 4.01Å; F18-I30 HydrophobicContact CE1-CD1 4.42Å; F18-I30 HydrophobicContact CE1-CG1 3.91Å; F18-I30 HydrophobicContact CE2-CD1 3.96Å; F18-I30 HydrophobicContact CE2-CG1 3.8Å; F18-I30 HydrophobicContact CG-CD1 3.77Å; F18-I30 HydrophobicContact CG-CG1 4.16Å; F18-I30 HydrophobicContact CZ-CD1 4.33Å; F18-I30 HydrophobicContact CZ-CG1 3.75Å; K26-I30 WeakPolarHBondContact O-CG1 3.46Å; K26-I30 PolarHBondContact O-N 3.07Å; T27-I30 PolarHBondContact O-N 2.91Å; I30-R32 VanDerWaalsContact C-N 3.34Å; I30-R32 PolarHBondContact O-N 2.59Å; I30-F33 PolarHBondContact O-N 3.21Å; I30-M34 HydrophobicContact CG2-CG 3.95Å; I30-M34 VanDerWaalsContact O-CB 3.24Å; I30-M34 WeakPolarHBondContact O-CB 3.48Å; I30-M34 WeakPolarHBondContact O-CG 3.35Å; I30-M34 PolarHBondContact O-N 3.47Å; I30-V51 HydrophobicContact CG2-CG2 3.43Å; I30-V51 VanDerWaalsContact CG2-CG2 3.43Å; I30-L66 HydrophobicContact CG2-CD1 4.19Å; I30-D68 HydrophobicContact CD1-CB 3.49Å; I30-D68 VanDerWaalsContact CD1-CB 3.49Å |
| 31 | L | 96.7 | Very high | 95.7 | Very high | 59 Ų | 59 | 46.6 Ų | 46.6 | 31% | 0.309 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | -179.9 | -69.8 | 176.4 | 0 | 0 | 0 | 112.3 | T27 M34 H35 D36 | T27-L31 HydrophobicContact CG2-CD1 3.97Å; T27-L31 HydrophobicContact CG2-CG 4.25Å; T27-L31 WeakPolarHBondContact O-CB 3.37Å; T27-L31 VanDerWaalsContact O-CG 3.29Å; T27-L31 WeakPolarHBondContact O-CG 3.46Å; T27-L31 PolarHBondContact O-N 2.72Å; L31-M34 PolarHBondContact O-N 3.25Å; L31-H35 WeakPolarHBondContact O-CA 3.36Å; L31-H35 WeakPolarHBondContact O-CB 3.33Å; L31-H35 PolarHBondContact O-N 2.95Å; L31-D36 PolarHBondContact O-N 2.96Å |
| 32 | R | 97.8 | Very high | 95.3 | Very high | 35 Ų | 35 | 52.3 Ų | 52.3 | 13% | 0.132 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61 | -48 | 174.3 | 177.3 | 54.7 | 70.2 | -171 | 3.8 | 110.9 | S28 I29 I30 D36 T37 A157 K158 D160 I163 | S28-R32 VanDerWaalsContact O-CB 3.3Å; S28-R32 WeakPolarHBondContact O-CB 3.31Å; S28-R32 PolarHBondContact O-N 2.78Å; I29-R32 PolarHBondContact O-N 3.39Å; I30-R32 VanDerWaalsContact C-N 3.34Å; I30-R32 PolarHBondContact O-N 2.59Å; R32-D36 IonicContact CZ-OD1 2.71Å; R32-D36 PolarHBondContact NH1-O 2.93Å; R32-D36 IonicContact NH1-OD1 3.84Å; R32-D36 PolarHBondContact NH1-OD1 3.33Å; R32-D36 WeakPolarHBondContact O-CA 3.38Å; R32-D36 PolarHBondContact O-N 2.67Å; R32-T37 VanDerWaalsContact CA-O 3.31Å; R32-T37 WeakPolarHBondContact CA-O 3.36Å; R32-T37 PolarHBondContact N-O 3Å; R32-A157 HydrophobicContact CB-CB 4.41Å; R32-A157 PolarHBondContact NE-O 3.09Å; R32-K158 PolarHBondContact NH2-O 2.97Å; R32-D160 WeakPolarHBondContact CD-OD1 3.48Å; R32-D160 HydrophobicContact CG-CB 4.43Å; R32-D160 WeakPolarHBondContact CG-OD1 3.48Å; R32-I163 HydrophobicContact CG-CB 4.24Å; R32-I163 HydrophobicContact CG-CD1 4.38Å; R32-I163 HydrophobicContact CG-CG1 3.78Å; R32-I163 HydrophobicContact CG-CG2 4.05Å |
| 33 | F | 98.1 | Very high | 95 | Very high | 11 Ų | 11 | 53.4 Ų | 53.4 | 5% | 0.048 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.6 | -39.6 | 179.1 | 175.7 | -114.3 | 0 | 0 | 0 | 114.1 | I29 I30 K53 L55 L66 I163 F167 | I29-F33 WeakPolarHBondContact O-CB 3.48Å; I29-F33 PolarHBondContact O-N 3.39Å; I30-F33 PolarHBondContact O-N 3.21Å; F33-K53 HydrophobicContact CD1-CD 4.43Å; F33-K53 HydrophobicContact CE1-CB 4.41Å; F33-K53 HydrophobicContact CE1-CD 3.77Å; F33-K53 HydrophobicContact CZ-CD 3.88Å; F33-K53 PolarHBondContact O-NZ 3.47Å; F33-L55 HydrophobicContact CZ-CD1 3.97Å; F33-L55 HydrophobicContact CZ-CD2 4.13Å; F33-L66 HydrophobicContact CD1-CD1 3.98Å; F33-L66 HydrophobicContact CE1-CD1 4.3Å; F33-I163 HydrophobicContact CB-CG2 3.79Å; F33-I163 HydrophobicContact CD2-CG2 4.44Å; F33-F167 HydrophobicContact CB-CD2 3.78Å; F33-F167 HydrophobicContact CB-CE2 3.3Å; F33-F167 HydrophobicContact CB-CZ 3.78Å; F33-F167 AromaticContact CD1-CD1 3.83Å; F33-F167 HydrophobicContact CD1-CD1 3.83Å; F33-F167 AromaticContact CD1-CD2 3.87Å; F33-F167 HydrophobicContact CD1-CD2 3.87Å; F33-F167 AromaticContact CD1-CE1 3.66Å; F33-F167 HydrophobicContact CD1-CE1 3.66Å; F33-F167 AromaticContact CD1-CE2 3.75Å; F33-F167 HydrophobicContact CD1-CE2 3.75Å; F33-F167 AromaticContact CD1-CG 3.92Å; F33-F167 HydrophobicContact CD1-CG 3.92Å; F33-F167 AromaticContact CD1-CZ 3.61Å; F33-F167 HydrophobicContact CD1-CZ 3.61Å; F33-F167 HydrophobicContact CD2-CB 4.03Å; F33-F167 HydrophobicContact CD2-CD1 4.38Å; F33-F167 AromaticContact CD2-CD2 3.26Å; F33-F167 HydrophobicContact CD2-CD2 3.26Å; F33-F167 AromaticContact CD2-CE2 3.76Å; F33-F167 HydrophobicContact CD2-CE2 3.76Å; F33-F167 AromaticContact CD2-CG 3.63Å; F33-F167 HydrophobicContact CD2-CG 3.63Å; F33-F167 HydrophobicContact CD2-CZ 4.45Å; F33-F167 HydrophobicContact CE1-CB 4.42Å; F33-F167 AromaticContact CE1-CD1 3.68Å; F33-F167 HydrophobicContact CE1-CD1 3.68Å; F33-F167 HydrophobicContact CE1-CD2 4.27Å; F33-F167 AromaticContact CE1-CE1 3.91Å; F33-F167 HydrophobicContact CE1-CE1 3.91Å; F33-F167 AromaticContact CE1-CG 3.86Å; F33-F167 HydrophobicContact CE1-CG 3.86Å; F33-F167 HydrophobicContact CE1-CZ 4.32Å; F33-F167 HydrophobicContact CE2-CB 3.55Å; F33-F167 HydrophobicContact CE2-CD1 4.27Å; F33-F167 AromaticContact CE2-CD2 3.73Å; F33-F167 HydrophobicContact CE2-CD2 3.73Å; F33-F167 AromaticContact CE2-CG 3.58Å; F33-F167 HydrophobicContact CE2-CG 3.58Å; F33-F167 HydrophobicContact CG-CD1 4.17Å; F33-F167 AromaticContact CG-CD2 3.33Å; F33-F167 HydrophobicContact CG-CD2 3.33Å; F33-F167 HydrophobicContact CG-CE1 4.1Å; F33-F167 AromaticContact CG-CE2 3.3Å; F33-F167 HydrophobicContact CG-CE2 3.3Å; F33-F167 AromaticContact CG-CG 3.79Å; F33-F167 HydrophobicContact CG-CG 3.79Å; F33-F167 AromaticContact CG-CZ 3.68Å; F33-F167 HydrophobicContact CG-CZ 3.68Å; F33-F167 HydrophobicContact CZ-CB 3.77Å; F33-F167 AromaticContact CZ-CD1 3.92Å; F33-F167 HydrophobicContact CZ-CD1 3.92Å; F33-F167 HydrophobicContact CZ-CD2 4.2Å; F33-F167 AromaticContact CZ-CG 3.69Å; F33-F167 HydrophobicContact CZ-CG 3.69Å |
| 34 | M | 96.3 | Very high | 94.7 | Very high | 31 Ų | 31 | 54.3 Ų | 54.3 | 15% | 0.153 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -78.4 | -39.7 | -174.5 | -70.8 | -59.8 | -55.9 | 0 | 0 | 112.4 | I30 L31 V51 S52 K53 L66 | I30-M34 HydrophobicContact CG2-CG 3.95Å; I30-M34 VanDerWaalsContact O-CB 3.24Å; I30-M34 WeakPolarHBondContact O-CB 3.48Å; I30-M34 WeakPolarHBondContact O-CG 3.35Å; I30-M34 PolarHBondContact O-N 3.47Å; L31-M34 PolarHBondContact O-N 3.25Å; M34-V51 HydrophobicContact CE-CB 4.23Å; M34-V51 HydrophobicContact CE-CG2 4.39Å; M34-V51 HydrophobicContact CG-CB 4.49Å; M34-V51 HydrophobicContact CG-CG2 3.81Å; M34-V51 HydrophobicContact SD-CG2 4.18Å; M34-S52 WeakPolarHBondContact CE-O 3.47Å; M34-K53 HydrophobicContact CE-CB 3.82Å; M34-K53 HydrophobicContact CE-CD 4.37Å; M34-K53 HydrophobicContact CE-CG 4.43Å; M34-K53 HydrophobicContact SD-CB 3.66Å; M34-K53 HydrophobicContact SD-CD 3.96Å; M34-K53 HydrophobicContact SD-CG 4.38Å; M34-L66 HydrophobicContact CG-CD1 4.15Å; M34-L66 HydrophobicContact SD-CD1 3.82Å |
| 35 | H | 95.3 | Very high | 94 | Very high | 110 Ų | 110 | 55.4 Ų | 55.4 | 51% | 0.509 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -130 | -0.7 | -165.8 | -57.2 | -54.4 | 0 | 0 | 0 | 113.9 | L31 T37 | L31-H35 WeakPolarHBondContact O-CA 3.36Å; L31-H35 WeakPolarHBondContact O-CB 3.33Å; L31-H35 PolarHBondContact O-N 2.95Å; H35-T37 HydrophobicContact CB-CG2 4.23Å; H35-T37 WeakPolarHBondContact O-CG2 3.21Å; H35-T37 PolarHBondContact O-N 3.29Å |
| 36 | D | 96.3 | Very high | 93.4 | Very high | 110 Ų | 110 | 61.1 Ų | 61.1 | 59% | 0.588 | 33% | 0.326 | S | S | * | . | S | Bend | trans | 52.6 | 41.7 | -172.9 | -165.9 | 26.1 | 0 | 0 | 0 | 112.6 | L31 R32 | L31-D36 PolarHBondContact O-N 2.96Å; R32-D36 IonicContact CZ-OD1 2.71Å; R32-D36 PolarHBondContact NH1-O 2.93Å; R32-D36 IonicContact NH1-OD1 3.84Å; R32-D36 PolarHBondContact NH1-OD1 3.33Å; R32-D36 WeakPolarHBondContact O-CA 3.38Å; R32-D36 PolarHBondContact O-N 2.67Å |
| 37 | T | 96 | Very high | 92.9 | Very high | 68 Ų | 68 | 61.2 Ų | 61.2 | 42% | 0.417 | 33% | 0.33 | S | S | . | . | trans | -125.3 | 153.6 | 179.8 | 58.2 | 0 | 0 | 0 | 0 | 111.9 | R32 H35 | R32-T37 VanDerWaalsContact CA-O 3.31Å; R32-T37 WeakPolarHBondContact CA-O 3.36Å; R32-T37 PolarHBondContact N-O 3Å; H35-T37 HydrophobicContact CB-CG2 4.23Å; H35-T37 WeakPolarHBondContact O-CG2 3.21Å; H35-T37 PolarHBondContact O-N 3.29Å | ||
| 38 | F | 96.3 | Very high | 92.5 | Very high | 70 Ų | 70 | 61 Ų | 61 | 31% | 0.307 | 33% | 0.327 | S | S | . | . | trans | -140.2 | 125.3 | 170.4 | 175 | -94.2 | 0 | 0 | 0 | 109.1 | P40 A157 K158 | F38-P40 HydrophobicContact CE1-CB 4.04Å; F38-A157 HydrophobicContact CD2-CB 4.14Å; F38-A157 HydrophobicContact CE2-CB 4.38Å; F38-K158 HydrophobicContact CD1-CB 4.28Å; F38-K158 HydrophobicContact CD1-CG 3.99Å; F38-K158 HydrophobicContact CD2-CB 4.15Å; F38-K158 HydrophobicContact CE1-CB 4.04Å; F38-K158 HydrophobicContact CE1-CD 4.46Å; F38-K158 HydrophobicContact CE1-CG 3.74Å; F38-K158 HydrophobicContact CE2-CB 3.9Å; F38-K158 HydrophobicContact CG-CB 4.33Å; F38-K158 HydrophobicContact CG-CG 4.49Å; F38-K158 HydrophobicContact CZ-CB 3.84Å; F38-K158 HydrophobicContact CZ-CG 4.03Å | ||
| 39 | D | 93 | Very high | 92.3 | Very high | 81 Ų | 81 | 63.9 Ų | 63.9 | 43% | 0.433 | 34% | 0.34 | S | S | . | . | trans | -98.8 | 118.6 | 171.6 | -169.4 | -14.5 | 0 | 0 | 0 | 109.2 | A41 H43 | D39-A41 PolarHBondContact O-N 3.42Å; D39-A41 WeakPolarHBondContact OD1-CB 3.37Å; D39-A41 PolarHBondContact OD1-N 3.07Å; D39-H43 IonicContact OD2-CD2 3.12Å; D39-H43 IonicContact OD2-NE2 2.73Å | ||
| 40 | P | 89.8 | Confident | 92 | Very high | 113 Ų | 113 | 67.9 Ų | 67.9 | 73% | 0.734 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -68.8 | -19.5 | 175.7 | 29.5 | -35.7 | 0 | 0 | 0 | 113.1 | F38 | F38-P40 HydrophobicContact CE1-CB 4.04Š|
| 41 | A | 89.4 | Confident | 91.9 | Very high | 48 Ų | 48 | 69.1 Ų | 69.1 | 40% | 0.397 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -74.8 | 125.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | D39 H43 | D39-A41 PolarHBondContact O-N 3.42Å; D39-A41 WeakPolarHBondContact OD1-CB 3.37Å; D39-A41 PolarHBondContact OD1-N 3.07Å; A41-H43 WeakPolarHBondContact CB-NE2 3.26Å; A41-H43 PolarHBondContact O-CD2 2.96Å; A41-H43 PolarHBondContact O-N 3.24Å |
| 42 | Y | 85.7 | Confident | 91.9 | Very high | 135 Ų | 135 | 68.7 Ų | 68.7 | 53% | 0.529 | 37% | 0.367 | S | S | . | . | trans | -77.7 | 114.3 | 173.9 | 176.3 | -107.4 | 0 | 0 | 0 | 110.4 | G23 A44 | G23-Y42 PolarHBondContact N-OH 3.39Å; Y42-A44 HydrophobicContact CE1-CB 4.16Å | ||
| 43 | H | 87 | Confident | 91.8 | Very high | 129 Ų | 129 | 69.5 Ų | 69.5 | 60% | 0.597 | 37% | 0.371 | S | S | * | . | trans | -107.9 | 122.2 | 169.4 | -64.4 | -73.6 | 0 | 0 | 0 | 109.4 | D39 A41 T45 | D39-H43 IonicContact OD2-CD2 3.12Å; D39-H43 IonicContact OD2-NE2 2.73Å; A41-H43 WeakPolarHBondContact CB-NE2 3.26Å; A41-H43 PolarHBondContact O-CD2 2.96Å; A41-H43 PolarHBondContact O-N 3.24Å; H43-T45 PolarHBondContact O-N 2.98Å | ||
| 44 | A | 87.5 | Confident | 91.6 | Very high | 41 Ų | 41 | 71.9 Ų | 71.9 | 34% | 0.339 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 119.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y42 I46 | Y42-A44 HydrophobicContact CE1-CB 4.16Å; A44-I46 PolarHBondContact O-N 3.35Å |
| 45 | T | 83.2 | Confident | 91.4 | Very high | 24 Ų | 24 | 71 Ų | 71 | 15% | 0.147 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 129.9 | 170.6 | -40.1 | 0 | 0 | 0 | 0 | 109.7 | T27 H43 A70 | T27-T45 PolarHBondContact OG1-OG1 3.03Å; H43-T45 PolarHBondContact O-N 2.98Å; T45-A70 WeakPolarHBondContact O-CB 3.5Å |
| 46 | I | 84.5 | Confident | 90.9 | Very high | 129 Ų | 129 | 67.6 Ų | 67.6 | 66% | 0.662 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -103.1 | 121.9 | 178.2 | -62.6 | 179.1 | 0 | 0 | 0 | 107.6 | A44 I48 F75 | A44-I46 PolarHBondContact O-N 3.35Å; I46-I48 PolarHBondContact O-N 3.26Å; I46-F75 HydrophobicContact CB-CZ 4.43Å; I46-F75 HydrophobicContact CG2-CE1 4.3Å; I46-F75 HydrophobicContact CG2-CZ 3.81Å |
| 47 | G | 87 | Confident | 90.2 | Very high | 11 Ų | 11 | 63.5 Ų | 63.5 | 11% | 0.113 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 66 | -121.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A70 | G47-A70 WeakPolarHBondContact O-CB 3.43Å; G47-A70 PolarHBondContact O-N 2.92Å |
| 48 | I | 89 | Confident | 89.5 | Confident | 36 Ų | 36 | 64.5 Ų | 64.5 | 19% | 0.185 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 132.9 | -176.9 | -63.5 | 174.2 | 0 | 0 | 0 | 108.2 | I46 W67 D68 T69 L78 Y82 | I46-I48 PolarHBondContact O-N 3.26Å; I48-W67 HydrophobicContact CG2-CE3 3.92Å; I48-D68 CarbonylContact C-O 3.57Å; I48-D68 VanDerWaalsContact CA-O 3.26Å; I48-D68 WeakPolarHBondContact CA-O 3.22Å; I48-D68 WeakPolarHBondContact CG2-O 3.45Å; I48-T69 HydrophobicContact CD1-CG2 4.49Å; I48-T69 HydrophobicContact CG1-CG2 4.38Å; I48-L78 HydrophobicContact CD1-CB 3.74Å; I48-L78 HydrophobicContact CD1-CD1 4.42Å; I48-Y82 HydrophobicContact CD1-CD1 4.42Å; I48-Y82 HydrophobicContact CD1-CD2 3.22Å; I48-Y82 HydrophobicContact CD1-CE1 4.3Å; I48-Y82 HydrophobicContact CD1-CE2 3.09Å; I48-Y82 HydrophobicContact CD1-CG 3.91Å; I48-Y82 HydrophobicContact CG1-CE2 4.4Å; I48-Y82 HydrophobicContact CG2-CD1 4.3Å; I48-Y82 HydrophobicContact CG2-CE1 4Å |
| 49 | D | 92.3 | Very high | 88.8 | Confident | 93 Ų | 93 | 68.1 Ų | 68.1 | 50% | 0.497 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 158.4 | 175.6 | -161.8 | 8.7 | 0 | 0 | 0 | 110.9 | D68 | D49-D68 HydrophobicContact CB-CB 4.22Å; D49-D68 PolarHBondContact N-O 3.32Å; D49-D68 PolarHBondContact O-N 2.99Å |
| 50 | F | 93.5 | Very high | 88.3 | Confident | 84 Ų | 84 | 66.6 Ų | 66.6 | 37% | 0.368 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 125.9 | -174.2 | 171 | -101.8 | 0 | 0 | 0 | 111.9 | Q65 W67 | F50-Q65 HydrophobicContact CE2-CB 3.78Å; F50-Q65 HydrophobicContact CE2-CG 3.9Å; F50-Q65 HydrophobicContact CZ-CB 4.48Å; F50-Q65 HydrophobicContact CZ-CG 4.12Å; F50-W67 HydrophobicContact CB-CE3 3.89Å; F50-W67 HydrophobicContact CB-CH2 4.36Å; F50-W67 HydrophobicContact CB-CZ3 3.75Å; F50-W67 AromaticContact CD2-CD2 3.79Å; F50-W67 HydrophobicContact CD2-CD2 3.79Å; F50-W67 AromaticContact CD2-CE2 3.65Å; F50-W67 AromaticContact CD2-CE3 3.91Å; F50-W67 HydrophobicContact CD2-CE3 3.91Å; F50-W67 HydrophobicContact CD2-CG 4.47Å; F50-W67 AromaticContact CD2-CH2 3.89Å; F50-W67 HydrophobicContact CD2-CH2 3.89Å; F50-W67 AromaticContact CD2-CZ2 3.74Å; F50-W67 HydrophobicContact CD2-CZ2 3.74Å; F50-W67 AromaticContact CD2-CZ3 3.94Å; F50-W67 HydrophobicContact CD2-CZ3 3.94Å; F50-W67 HydrophobicContact CE2-CZ2 4.03Å; F50-W67 HydrophobicContact CG-CE3 4.29Å; F50-W67 HydrophobicContact CG-CH2 4.19Å; F50-W67 HydrophobicContact CG-CZ2 4.48Å; F50-W67 HydrophobicContact CG-CZ3 4.06Å |
| 51 | V | 96.3 | Very high | 88.4 | Confident | 34 Ų | 34 | 62.4 Ų | 62.4 | 21% | 0.206 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 156.8 | 169.4 | -63.9 | 0 | 0 | 0 | 0 | 110.1 | I30 M34 L66 | I30-V51 HydrophobicContact CG2-CG2 3.43Å; I30-V51 VanDerWaalsContact CG2-CG2 3.43Å; M34-V51 HydrophobicContact CE-CB 4.23Å; M34-V51 HydrophobicContact CE-CG2 4.39Å; M34-V51 HydrophobicContact CG-CB 4.49Å; M34-V51 HydrophobicContact CG-CG2 3.81Å; M34-V51 HydrophobicContact SD-CG2 4.18Å; V51-L66 HydrophobicContact CG2-CB 3.92Å; V51-L66 HydrophobicContact CG2-CD1 4.22Å; V51-L66 HydrophobicContact CG2-CG 4.43Å; V51-L66 PolarHBondContact N-O 2.84Å; V51-L66 VanDerWaalsContact N-O 3.08Å; V51-L66 PolarHBondContact O-N 3.01Å |
| 52 | S | 96.5 | Very high | 88.5 | Confident | 49 Ų | 49 | 60.1 Ų | 60.1 | 34% | 0.343 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 142.7 | 177.7 | 74.8 | 0 | 0 | 0 | 0 | 112.4 | M34 L64 | M34-S52 WeakPolarHBondContact CE-O 3.47Å; S52-L64 CarbonylContact C-O 3.47Å; S52-L64 WeakPolarHBondContact CA-O 3.25Å; S52-L64 VanDerWaalsContact CB-O 3.29Å; S52-L64 WeakPolarHBondContact CB-O 3.5Å |
| 53 | K | 94.6 | Very high | 89 | Confident | 52 Ų | 52 | 58.1 Ų | 58.1 | 23% | 0.226 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 135 | 176.9 | -164.5 | 166.2 | 179.3 | 178.6 | 0 | 109.1 | F33 M34 L55 L64 | F33-K53 HydrophobicContact CD1-CD 4.43Å; F33-K53 HydrophobicContact CE1-CB 4.41Å; F33-K53 HydrophobicContact CE1-CD 3.77Å; F33-K53 HydrophobicContact CZ-CD 3.88Å; F33-K53 PolarHBondContact O-NZ 3.47Å; M34-K53 HydrophobicContact CE-CB 3.82Å; M34-K53 HydrophobicContact CE-CD 4.37Å; M34-K53 HydrophobicContact CE-CG 4.43Å; M34-K53 HydrophobicContact SD-CB 3.66Å; M34-K53 HydrophobicContact SD-CD 3.96Å; M34-K53 HydrophobicContact SD-CG 4.38Å; K53-L55 HydrophobicContact CD-CD2 4.21Å; K53-L55 HydrophobicContact CG-CD2 4.14Å; K53-L64 PolarHBondContact N-O 3.47Å; K53-L64 PolarHBondContact O-N 2.8Å |
| 54 | T | 94.2 | Very high | 89.5 | Confident | 61 Ų | 61 | 52 Ų | 52 | 37% | 0.374 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 128.6 | 170.9 | -54.4 | 0 | 0 | 0 | 0 | 108.3 | I62 R63 | T54-I62 CarbonylContact C-O 3.5Å; T54-I62 WeakPolarHBondContact CA-O 3.47Å; T54-R63 PolarHBondContact OG1-NE 2.72Å |
| 55 | L | 91.4 | Very high | 89.9 | Confident | 13 Ų | 13 | 51.7 Ų | 51.7 | 7% | 0.068 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 135 | -174.5 | -72.7 | -176.5 | 0 | 0 | 0 | 108.5 | F33 K53 I62 L64 V171 W200 | F33-L55 HydrophobicContact CZ-CD1 3.97Å; F33-L55 HydrophobicContact CZ-CD2 4.13Å; K53-L55 HydrophobicContact CD-CD2 4.21Å; K53-L55 HydrophobicContact CG-CD2 4.14Å; L55-I62 PolarHBondContact N-O 2.94Å; L55-I62 PolarHBondContact O-N 2.9Å; L55-L64 HydrophobicContact CD1-CD1 3.49Å; L55-L64 VanDerWaalsContact CD1-CD1 3.49Å; L55-L64 HydrophobicContact CD1-CG 4.03Å; L55-V171 HydrophobicContact CD1-CG2 3.57Å; L55-W200 HydrophobicContact CB-CZ3 3.87Å; L55-W200 HydrophobicContact CD1-CH2 4.26Å; L55-W200 HydrophobicContact CD1-CZ3 4.2Å; L55-W200 HydrophobicContact CD2-CZ3 3.95Å; L55-W200 HydrophobicContact CG-CZ3 4.2Å |
| 56 | C | 85.7 | Confident | 90.6 | Very high | 39 Ų | 39 | 50.6 Ų | 50.6 | 26% | 0.264 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 116.9 | 174.9 | -63.4 | 0 | 0 | 0 | 0 | 108.9 | ||
| 57 | F | 81.3 | Confident | 91.2 | Very high | 24 Ų | 24 | 46.8 Ų | 46.8 | 11% | 0.105 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 116.3 | 175.5 | -175.7 | -93.3 | 0 | 0 | 0 | 108.7 | E59 K60 I62 V171 M172 V175 W200 | F57-E59 PolarHBondContact O-N 2.97Å; F57-K60 PolarHBondContact N-O 3.33Å; F57-K60 PolarHBondContact O-N 2.74Å; F57-I62 HydrophobicContact CB-CD1 4.39Å; F57-V171 HydrophobicContact CB-CG1 3.59Å; F57-V171 HydrophobicContact CD1-CG1 4.33Å; F57-V171 HydrophobicContact CD2-CG1 3.93Å; F57-V171 HydrophobicContact CG-CG1 3.69Å; F57-M172 HydrophobicContact CE1-CG 4.49Å; F57-M172 HydrophobicContact CE2-CG 3.78Å; F57-M172 HydrophobicContact CZ-CG 3.65Å; F57-M172 HydrophobicContact CZ-SD 4.48Å; F57-V175 HydrophobicContact CD1-CG2 3.99Å; F57-W200 HydrophobicContact CD2-CZ2 4.23Å |
| 58 | N | 81.1 | Confident | 91.6 | Very high | 89 Ų | 89 | 46.5 Ų | 46.5 | 48% | 0.476 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | -121.5 | -164.8 | -59.4 | -9.1 | 0 | 0 | 0 | 110.5 | G198 | N58-G198 WeakPolarHBondContact OD1-CA 3.33Š|
| 59 | E | 81.7 | Confident | 91.7 | Very high | 145 Ų | 145 | 44.8 Ų | 44.8 | 68% | 0.678 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 5.6 | 177.7 | -56.7 | -173.6 | 160.8 | 0 | 0 | 112.6 | Y9 F57 | Y9-E59 PolarHBondContact OH-OE2 3.3Å; F57-E59 PolarHBondContact O-N 2.97Å |
| 60 | K | 83.8 | Confident | 91.4 | Very high | 49 Ų | 49 | 40.5 Ų | 40.5 | 21% | 0.213 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 133.8 | -177.9 | -64.1 | -179.9 | -179.5 | 178.9 | 0 | 110.9 | I12 F57 V175 N179 | I12-K60 HydrophobicContact CD1-CB 4.35Å; I12-K60 HydrophobicContact CD1-CD 3.9Å; I12-K60 HydrophobicContact CD1-CG 4.42Å; F57-K60 PolarHBondContact N-O 3.33Å; F57-K60 PolarHBondContact O-N 2.74Å; K60-V175 HydrophobicContact CD-CG1 4.39Å; K60-N179 PolarHBondContact NZ-OD1 2.81Å |
| 61 | S | 90.4 | Very high | 90.5 | Very high | 25 Ų | 25 | 36.9 Ų | 36.9 | 18% | 0.175 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 118.7 | 167.9 | -69.5 | 0 | 0 | 0 | 0 | 109.9 | I11 I12 | I11-S61 WeakPolarHBondContact CA-O 3.47Å; I12-S61 PolarHBondContact N-O 2.98Å |
| 62 | I | 92.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 115.8 | 179.8 | -62.6 | 162.6 | 0 | 0 | 0 | 108.6 | I12 T54 L55 F57 L64 V171 V175 | I12-I62 HydrophobicContact CB-CG1 4.22Å; I12-I62 CarbonylContact O-C 3.53Å; I12-I62 VanDerWaalsContact O-CA 3.32Å; I12-I62 WeakPolarHBondContact O-CA 3.32Å; T54-I62 CarbonylContact C-O 3.5Å; T54-I62 WeakPolarHBondContact CA-O 3.47Å; L55-I62 PolarHBondContact N-O 2.94Å; L55-I62 PolarHBondContact O-N 2.9Å; F57-I62 HydrophobicContact CB-CD1 4.39Å; I62-L64 HydrophobicContact CG2-CD2 3.82Å; I62-L64 HydrophobicContact CG2-CG 4.22Å; I62-L64 PolarHBondContact O-N 2.68Å; I62-V171 HydrophobicContact CD1-CG1 3.63Å; I62-V175 HydrophobicContact CD1-CG2 3.46Å; I62-V175 VanDerWaalsContact CD1-CG2 3.46Å |
| 63 | R | 95.5 | Very high | 88.9 | Confident | 94 Ų | 94 | 43.2 Ų | 43.2 | 36% | 0.355 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 100.6 | 170 | -175 | 173.8 | -68.8 | -167.2 | 0.5 | 109 | I11 I12 K13 S14 T54 | I11-R63 HydrophobicContact CG2-CB 3.71Å; I12-R63 PolarHBondContact O-N 3.27Å; K13-R63 HydrophobicContact CG-CB 4.5Å; S14-R63 PolarHBondContact N-O 2.89Å; T54-R63 PolarHBondContact OG1-NE 2.72Å |
| 64 | L | 96.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 124.1 | 170.4 | -66.8 | -173.4 | 0 | 0 | 0 | 109.5 | S52 K53 L55 I62 L66 F167 V171 I174 | S52-L64 CarbonylContact C-O 3.47Å; S52-L64 WeakPolarHBondContact CA-O 3.25Å; S52-L64 VanDerWaalsContact CB-O 3.29Å; S52-L64 WeakPolarHBondContact CB-O 3.5Å; K53-L64 PolarHBondContact N-O 3.47Å; K53-L64 PolarHBondContact O-N 2.8Å; L55-L64 HydrophobicContact CD1-CD1 3.49Å; L55-L64 VanDerWaalsContact CD1-CD1 3.49Å; L55-L64 HydrophobicContact CD1-CG 4.03Å; I62-L64 HydrophobicContact CG2-CD2 3.82Å; I62-L64 HydrophobicContact CG2-CG 4.22Å; I62-L64 PolarHBondContact O-N 2.68Å; L64-L66 HydrophobicContact CB-CD2 3.94Å; L64-F167 HydrophobicContact CD1-CD1 4.18Å; L64-V171 HydrophobicContact CD1-CG2 4.02Å; L64-V171 HydrophobicContact CG-CG2 4.47Å; L64-I174 HydrophobicContact CD2-CD1 3.57Å |
| 65 | Q | 97.4 | Very high | 87.9 | Confident | 35 Ų | 35 | 47.3 Ų | 47.3 | 16% | 0.164 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 102 | 174.8 | -76.1 | -174.9 | -8.9 | 0 | 0 | 107.9 | S14 K15 C16 F50 | S14-Q65 PolarHBondContact O-N 3.15Å; K15-Q65 HydrophobicContact CG-CB 4.14Å; C16-Q65 PolarHBondContact N-O 3.05Å; F50-Q65 HydrophobicContact CE2-CB 3.78Å; F50-Q65 HydrophobicContact CE2-CG 3.9Å; F50-Q65 HydrophobicContact CZ-CB 4.48Å; F50-Q65 HydrophobicContact CZ-CG 4.12Å |
| 66 | L | 97.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 116.3 | -175.6 | -46.5 | -176 | 0 | 0 | 0 | 109 | C16 F18 I30 F33 M34 V51 L64 F167 | C16-L66 HydrophobicContact CB-CD2 3.89Å; C16-L66 WeakPolarHBondContact O-CA 3.41Å; F18-L66 HydrophobicContact CE2-CB 4.21Å; F18-L66 HydrophobicContact CE2-CD2 4.16Å; I30-L66 HydrophobicContact CG2-CD1 4.19Å; F33-L66 HydrophobicContact CD1-CD1 3.98Å; F33-L66 HydrophobicContact CE1-CD1 4.3Å; M34-L66 HydrophobicContact CG-CD1 4.15Å; M34-L66 HydrophobicContact SD-CD1 3.82Å; V51-L66 HydrophobicContact CG2-CB 3.92Å; V51-L66 HydrophobicContact CG2-CD1 4.22Å; V51-L66 HydrophobicContact CG2-CG 4.43Å; V51-L66 PolarHBondContact N-O 2.84Å; V51-L66 VanDerWaalsContact N-O 3.08Å; V51-L66 PolarHBondContact O-N 3.01Å; L64-L66 HydrophobicContact CB-CD2 3.94Å; L66-F167 HydrophobicContact CD1-CE1 4.05Å; L66-F167 HydrophobicContact CD1-CZ 4.41Å; L66-F167 HydrophobicContact CD2-CE1 4.09Å |
| 67 | W | 96.2 | Very high | 87.6 | Confident | 49 Ų | 49 | 51.4 Ų | 51.4 | 19% | 0.186 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 104.1 | 177.3 | -65.1 | 93.3 | 0 | 0 | 0 | 108.8 | C16 V17 F18 I48 F50 Y82 | C16-W67 PolarHBondContact O-N 3.26Å; V17-W67 HydrophobicContact CB-CB 4.48Å; V17-W67 HydrophobicContact CG2-CB 4.37Å; F18-W67 PolarHBondContact N-O 3.4Å; I48-W67 HydrophobicContact CG2-CE3 3.92Å; F50-W67 HydrophobicContact CB-CE3 3.89Å; F50-W67 HydrophobicContact CB-CH2 4.36Å; F50-W67 HydrophobicContact CB-CZ3 3.75Å; F50-W67 AromaticContact CD2-CD2 3.79Å; F50-W67 HydrophobicContact CD2-CD2 3.79Å; F50-W67 AromaticContact CD2-CE2 3.65Å; F50-W67 AromaticContact CD2-CE3 3.91Å; F50-W67 HydrophobicContact CD2-CE3 3.91Å; F50-W67 HydrophobicContact CD2-CG 4.47Å; F50-W67 AromaticContact CD2-CH2 3.89Å; F50-W67 HydrophobicContact CD2-CH2 3.89Å; F50-W67 AromaticContact CD2-CZ2 3.74Å; F50-W67 HydrophobicContact CD2-CZ2 3.74Å; F50-W67 AromaticContact CD2-CZ3 3.94Å; F50-W67 HydrophobicContact CD2-CZ3 3.94Å; F50-W67 HydrophobicContact CE2-CZ2 4.03Å; F50-W67 HydrophobicContact CG-CE3 4.29Å; F50-W67 HydrophobicContact CG-CH2 4.19Å; F50-W67 HydrophobicContact CG-CZ2 4.48Å; F50-W67 HydrophobicContact CG-CZ3 4.06Å; W67-Y82 HydrophobicContact CB-CD1 4.38Å; W67-Y82 AromaticContact CD2-CD1 3.69Å; W67-Y82 HydrophobicContact CD2-CD1 3.69Å; W67-Y82 AromaticContact CD2-CE1 3.84Å; W67-Y82 HydrophobicContact CD2-CE1 3.84Å; W67-Y82 AromaticContact CE3-CD1 3.6Å; W67-Y82 HydrophobicContact CE3-CD1 3.6Å; W67-Y82 AromaticContact CE3-CE1 3.28Å; W67-Y82 HydrophobicContact CE3-CE1 3.28Å; W67-Y82 HydrophobicContact CG-CD1 4.07Å; W67-Y82 AromaticContact CH2-CE1 3.98Å; W67-Y82 HydrophobicContact CH2-CE1 3.98Å; W67-Y82 HydrophobicContact CZ2-CE1 4.47Å; W67-Y82 HydrophobicContact CZ3-CD1 4.12Å; W67-Y82 AromaticContact CZ3-CE1 3.38Å; W67-Y82 HydrophobicContact CZ3-CE1 3.38Å |
| 68 | D | 95.1 | Very high | 87.9 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.032 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 120.8 | 176.2 | -170.6 | 22.2 | 0 | 0 | 0 | 109.7 | K26 T27 I30 I48 D49 | K26-D68 WeakPolarHBondContact CB-OD1 3.44Å; T27-D68 WeakPolarHBondContact CA-OD2 3.35Å; T27-D68 VanDerWaalsContact CB-OD2 3.26Å; T27-D68 WeakPolarHBondContact CB-OD2 3.49Å; T27-D68 WeakPolarHBondContact CG2-OD2 3.36Å; T27-D68 PolarHBondContact OG1-OD2 3.02Å; I30-D68 HydrophobicContact CD1-CB 3.49Å; I30-D68 VanDerWaalsContact CD1-CB 3.49Å; I48-D68 CarbonylContact C-O 3.57Å; I48-D68 VanDerWaalsContact CA-O 3.26Å; I48-D68 WeakPolarHBondContact CA-O 3.22Å; I48-D68 WeakPolarHBondContact CG2-O 3.45Å; D49-D68 HydrophobicContact CB-CB 4.22Å; D49-D68 PolarHBondContact N-O 3.32Å; D49-D68 PolarHBondContact O-N 2.99Å |
| 69 | T | 91.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 144.1 | 179.9 | 68.4 | 0 | 0 | 0 | 0 | 111.6 | V17 F18 L19 K26 I48 G71 I79 | V17-T69 HydrophobicContact CG2-CG2 3.62Å; F18-T69 WeakPolarHBondContact O-CB 3.23Å; F18-T69 WeakPolarHBondContact O-CG2 3.38Å; F18-T69 PolarHBondContact O-OG1 3.38Å; L19-T69 HydrophobicContact CD2-CG2 4.08Å; K26-T69 WeakPolarHBondContact CE-O 3.3Å; I48-T69 HydrophobicContact CD1-CG2 4.49Å; I48-T69 HydrophobicContact CG1-CG2 4.38Å; T69-G71 PolarHBondContact O-N 3.27Å; T69-I79 HydrophobicContact CG2-CG1 4.44Å |
| 70 | A | 86.7 | Confident | 88.7 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 2% | 0.017 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -65.3 | 126 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | T45 G47 Q72 F75 | T45-A70 WeakPolarHBondContact O-CB 3.5Å; G47-A70 WeakPolarHBondContact O-CB 3.43Å; G47-A70 PolarHBondContact O-N 2.92Å; A70-Q72 PolarHBondContact O-N 3.34Å; A70-F75 HydrophobicContact CB-CB 4.05Å; A70-F75 HydrophobicContact CB-CD2 3.37Å; A70-F75 HydrophobicContact CB-CE2 4.07Å; A70-F75 HydrophobicContact CB-CG 3.96Å |
| 71 | G | 74.2 | Confident | 89 | Confident | 8 Ų | 8 | 45.4 Ų | 45.4 | 8% | 0.082 | 23% | 0.232 | C | C | . | . | trans | -78.1 | 11.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G20 H22 T69 | G20-G71 WeakPolarHBondContact O-CA 3.32Å; H22-G71 PolarHBondContact N-O 3.33Å; T69-G71 PolarHBondContact O-N 3.27Å | ||
| 72 | Q | 81.3 | Confident | 89.1 | Confident | 54 Ų | 54 | 47.4 Ų | 47.4 | 25% | 0.252 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -93.6 | 136.7 | 178.9 | -64.2 | -172.9 | 17.1 | 0 | 0 | 110.5 | H22 A70 R74 F75 | H22-Q72 HydrophobicContact CB-CG 4.34Å; A70-Q72 PolarHBondContact O-N 3.34Å; Q72-R74 HydrophobicContact CB-CG 4.27Å; Q72-R74 PolarHBondContact O-N 2.82Å; Q72-R74 VanDerWaalsContact O-N 3.13Å; Q72-F75 HydrophobicContact CB-CD2 4.11Å; Q72-F75 PolarHBondContact O-N 3.07Å |
| 73 | E | 78.2 | Confident | 89.1 | Confident | 162 Ų | 162 | 47.5 Ų | 47.5 | 76% | 0.757 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -55.1 | -35.8 | -176.2 | -166.3 | -164.6 | -158.6 | 0 | 0 | 113.7 | F75 S76 | E73-F75 PolarHBondContact O-N 2.99Å; E73-S76 WeakPolarHBondContact O-CB 3.48Å; E73-S76 PolarHBondContact O-N 3.48Å; E73-S76 PolarHBondContact O-OG 2.85Å |
| 74 | R | 82.3 | Confident | 88.9 | Confident | 164 Ų | 164 | 48.8 Ų | 48.8 | 62% | 0.619 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -59.1 | -17.2 | 179 | 68.7 | 179.2 | 174.9 | 165.6 | 4.6 | 114.8 | Q72 | Q72-R74 HydrophobicContact CB-CG 4.27Å; Q72-R74 PolarHBondContact O-N 2.82Å; Q72-R74 VanDerWaalsContact O-N 3.13Å |
| 75 | F | 85.4 | Confident | 88.5 | Confident | 36 Ų | 36 | 53 Ų | 53 | 16% | 0.158 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -105.2 | 2.3 | 176.1 | -58.1 | -65.7 | 0 | 0 | 0 | 113.2 | I46 A70 Q72 E73 S77 L78 | I46-F75 HydrophobicContact CB-CZ 4.43Å; I46-F75 HydrophobicContact CG2-CE1 4.3Å; I46-F75 HydrophobicContact CG2-CZ 3.81Å; A70-F75 HydrophobicContact CB-CB 4.05Å; A70-F75 HydrophobicContact CB-CD2 3.37Å; A70-F75 HydrophobicContact CB-CE2 4.07Å; A70-F75 HydrophobicContact CB-CG 3.96Å; Q72-F75 HydrophobicContact CB-CD2 4.11Å; Q72-F75 PolarHBondContact O-N 3.07Å; E73-F75 PolarHBondContact O-N 2.99Å; F75-S77 PolarHBondContact O-N 2.69Å; F75-L78 WeakPolarHBondContact O-CB 3.45Å; F75-L78 PolarHBondContact O-N 2.92Å; F75-L78 VanDerWaalsContact O-N 3.1Å |
| 76 | S | 83.5 | Confident | 88.4 | Confident | 36 Ų | 36 | 51.3 Ų | 51.3 | 25% | 0.252 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -59 | -31.6 | -175.6 | 58.9 | 0 | 0 | 0 | 0 | 113.6 | E73 L78 I79 P80 | E73-S76 WeakPolarHBondContact O-CB 3.48Å; E73-S76 PolarHBondContact O-N 3.48Å; E73-S76 PolarHBondContact O-OG 2.85Å; S76-L78 PolarHBondContact O-N 2.9Å; S76-L78 VanDerWaalsContact O-N 3.13Å; S76-I79 WeakPolarHBondContact O-CB 3.42Å; S76-I79 PolarHBondContact O-N 2.97Å; S76-I79 VanDerWaalsContact O-N 3.09Å; S76-P80 VanDerWaalsContact O-CD 3.25Å; S76-P80 WeakPolarHBondContact O-CD 3.31Å |
| 77 | S | 87.4 | Confident | 88.2 | Confident | 102 Ų | 102 | 53.3 Ų | 53.3 | 71% | 0.713 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -63.3 | -18.4 | 178.4 | 57.1 | 0 | 0 | 0 | 0 | 114.2 | F75 | F75-S77 PolarHBondContact O-N 2.69Š|
| 78 | L | 87.3 | Confident | 88.3 | Confident | 74 Ų | 74 | 51 Ų | 51 | 39% | 0.387 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -82.9 | -29.1 | 176 | -60.9 | 175.6 | 0 | 0 | 0 | 112.2 | I48 F75 S76 S81 Y82 | I48-L78 HydrophobicContact CD1-CB 3.74Å; I48-L78 HydrophobicContact CD1-CD1 4.42Å; F75-L78 WeakPolarHBondContact O-CB 3.45Å; F75-L78 PolarHBondContact O-N 2.92Å; F75-L78 VanDerWaalsContact O-N 3.1Å; S76-L78 PolarHBondContact O-N 2.9Å; S76-L78 VanDerWaalsContact O-N 3.13Å; L78-S81 PolarHBondContact O-N 3.09Å; L78-S81 PolarHBondContact O-OG 2.91Å; L78-Y82 VanDerWaalsContact O-CD2 3.22Å; L78-Y82 WeakPolarHBondContact O-CD2 3.38Å |
| 79 | I | 89.5 | Confident | 88.4 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.5 | -43.5 | -166.7 | -66.3 | 175.7 | 0 | 0 | 0 | 113.6 | L19 T69 S76 S81 Y82 I83 W107 | L19-I79 HydrophobicContact CD2-CG2 3.45Å; L19-I79 VanDerWaalsContact CD2-CG2 3.45Å; T69-I79 HydrophobicContact CG2-CG1 4.44Å; S76-I79 WeakPolarHBondContact O-CB 3.42Å; S76-I79 PolarHBondContact O-N 2.97Å; S76-I79 VanDerWaalsContact O-N 3.09Å; I79-S81 PolarHBondContact O-N 3.13Å; I79-S81 VanDerWaalsContact O-N 3.14Å; I79-Y82 PolarHBondContact O-N 3.42Å; I79-I83 HydrophobicContact CG2-CD1 3.6Å; I79-I83 HydrophobicContact CG2-CG1 3.95Å; I79-I83 PolarHBondContact O-N 2.95Å; I79-I83 VanDerWaalsContact O-N 3.09Å; I79-W107 HydrophobicContact CD1-CH2 3.39Å; I79-W107 HydrophobicContact CD1-CZ3 3.42Å; I79-W107 VanDerWaalsContact CD1-CZ3 3.42Å; I79-W107 HydrophobicContact CG2-CZ3 4.02Å |
| 80 | P | 91.1 | Very high | 88.8 | Confident | 35 Ų | 35 | 50.7 Ų | 50.7 | 23% | 0.227 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -52.7 | -38.8 | -179.1 | -31.4 | 36.3 | 0 | 0 | 0 | 114.1 | S76 Y82 K84 E114 | S76-P80 VanDerWaalsContact O-CD 3.25Å; S76-P80 WeakPolarHBondContact O-CD 3.31Å; P80-Y82 VanDerWaalsContact C-N 3.32Å; P80-Y82 PolarHBondContact O-N 3.49Å; P80-K84 WeakPolarHBondContact O-CA 3.37Å; P80-K84 PolarHBondContact O-N 3.33Å; P80-E114 HydrophobicContact CB-CG 4.16Å |
| 81 | S | 90.2 | Very high | 89.3 | Confident | 69 Ų | 69 | 50.6 Ų | 50.6 | 48% | 0.483 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.9 | -28.3 | 179 | 55.9 | 0 | 0 | 0 | 0 | 113.8 | L78 I79 K84 D85 | L78-S81 PolarHBondContact O-N 3.09Å; L78-S81 PolarHBondContact O-OG 2.91Å; I79-S81 PolarHBondContact O-N 3.13Å; I79-S81 VanDerWaalsContact O-N 3.14Å; S81-K84 WeakPolarHBondContact O-CA 3.32Å; S81-D85 PolarHBondContact O-N 3.48Å |
| 82 | Y | 91 | Very high | 90.5 | Very high | 68 Ų | 68 | 50.2 Ų | 50.2 | 27% | 0.267 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -82.2 | -37 | 178.5 | -70 | -92.2 | 0 | 0 | 0 | 111.9 | I48 W67 L78 I79 P80 K84 D85 S86 | I48-Y82 HydrophobicContact CD1-CD1 4.42Å; I48-Y82 HydrophobicContact CD1-CD2 3.22Å; I48-Y82 HydrophobicContact CD1-CE1 4.3Å; I48-Y82 HydrophobicContact CD1-CE2 3.09Å; I48-Y82 HydrophobicContact CD1-CG 3.91Å; I48-Y82 HydrophobicContact CG1-CE2 4.4Å; I48-Y82 HydrophobicContact CG2-CD1 4.3Å; I48-Y82 HydrophobicContact CG2-CE1 4Å; W67-Y82 HydrophobicContact CB-CD1 4.38Å; W67-Y82 AromaticContact CD2-CD1 3.69Å; W67-Y82 HydrophobicContact CD2-CD1 3.69Å; W67-Y82 AromaticContact CD2-CE1 3.84Å; W67-Y82 HydrophobicContact CD2-CE1 3.84Å; W67-Y82 AromaticContact CE3-CD1 3.6Å; W67-Y82 HydrophobicContact CE3-CD1 3.6Å; W67-Y82 AromaticContact CE3-CE1 3.28Å; W67-Y82 HydrophobicContact CE3-CE1 3.28Å; W67-Y82 HydrophobicContact CG-CD1 4.07Å; W67-Y82 AromaticContact CH2-CE1 3.98Å; W67-Y82 HydrophobicContact CH2-CE1 3.98Å; W67-Y82 HydrophobicContact CZ2-CE1 4.47Å; W67-Y82 HydrophobicContact CZ3-CD1 4.12Å; W67-Y82 AromaticContact CZ3-CE1 3.38Å; W67-Y82 HydrophobicContact CZ3-CE1 3.38Å; L78-Y82 VanDerWaalsContact O-CD2 3.22Å; L78-Y82 WeakPolarHBondContact O-CD2 3.38Å; I79-Y82 PolarHBondContact O-N 3.42Å; P80-Y82 VanDerWaalsContact C-N 3.32Å; P80-Y82 PolarHBondContact O-N 3.49Å; Y82-K84 VanDerWaalsContact C-N 3.26Å; Y82-D85 PolarHBondContact O-N 3.26Å; Y82-S86 WeakPolarHBondContact O-CB 3.22Å; Y82-S86 PolarHBondContact O-N 3.14Å; Y82-S86 PolarHBondContact O-OG 3.09Å |
| 83 | I | 93.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.1 | -47.2 | 165.4 | -62 | 177.2 | 0 | 0 | 0 | 109.3 | V17 L19 I79 D85 S86 E110 I111 E114 R115 | V17-I83 HydrophobicContact CG1-CG1 4.39Å; L19-I83 HydrophobicContact CD1-CD1 3.84Å; L19-I83 HydrophobicContact CD1-CG1 3.95Å; L19-I83 HydrophobicContact CD2-CD1 4.48Å; I79-I83 HydrophobicContact CG2-CD1 3.6Å; I79-I83 HydrophobicContact CG2-CG1 3.95Å; I79-I83 PolarHBondContact O-N 2.95Å; I79-I83 VanDerWaalsContact O-N 3.09Å; I83-D85 PolarHBondContact O-N 3.01Å; I83-S86 PolarHBondContact O-N 2.66Å; I83-E110 HydrophobicContact CD1-CB 4.39Å; I83-E110 HydrophobicContact CD1-CG 4Å; I83-I111 HydrophobicContact CD1-CG1 4.2Å; I83-I111 HydrophobicContact CG2-CB 4.33Å; I83-I111 HydrophobicContact CG2-CG1 4.27Å; I83-I111 HydrophobicContact CG2-CG2 4.35Å; I83-E114 HydrophobicContact CB-CB 4.26Å; I83-E114 HydrophobicContact CG2-CB 3.65Å; I83-E114 HydrophobicContact CG2-CG 4.29Å; I83-R115 HydrophobicContact CG2-CG 4.36Å; I83-R115 WeakPolarHBondContact O-CG 3.44Å |
| 84 | K | 91.8 | Very high | 92.3 | Very high | 122 Ų | 122 | 40.5 Ų | 40.5 | 53% | 0.53 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -21.4 | -51.4 | 161.6 | 178.5 | -134.2 | -173.1 | -172.1 | 0 | 114.5 | P80 S81 Y82 E114 R115 | P80-K84 WeakPolarHBondContact O-CA 3.37Å; P80-K84 PolarHBondContact O-N 3.33Å; S81-K84 WeakPolarHBondContact O-CA 3.32Å; Y82-K84 VanDerWaalsContact C-N 3.26Å; K84-E114 HydrophobicContact CB-CB 4.25Å; K84-R115 PolarHBondContact O-NE 3.14Å; K84-R115 PolarHBondContact O-NH2 3.15Å |
| 85 | D | 88.1 | Confident | 93.1 | Very high | 87 Ų | 87 | 32.7 Ų | 32.7 | 47% | 0.465 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -112.6 | 1.6 | -170.4 | -73.7 | -14.9 | 0 | 0 | 0 | 114.3 | K15 S81 Y82 I83 | K15-D85 HydrophobicContact CD-CB 3.68Å; K15-D85 WeakPolarHBondContact CD-O 3.48Å; K15-D85 VanDerWaalsContact NZ-CB 3.35Å; K15-D85 IonicContact NZ-OD2 3.68Å; K15-D85 PolarHBondContact NZ-OD2 2.8Å; S81-D85 PolarHBondContact O-N 3.48Å; Y82-D85 PolarHBondContact O-N 3.26Å; I83-D85 PolarHBondContact O-N 3.01Å |
| 86 | S | 94.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | trans | -92.4 | 129.7 | -170.6 | -63.8 | 0 | 0 | 0 | 0 | 112.8 | K15 V17 Y82 I83 V88 T119 | K15-S86 WeakPolarHBondContact O-CA 3.38Å; V17-S86 WeakPolarHBondContact CB-OG 3.5Å; Y82-S86 WeakPolarHBondContact O-CB 3.22Å; Y82-S86 PolarHBondContact O-N 3.14Å; Y82-S86 PolarHBondContact O-OG 3.09Å; I83-S86 PolarHBondContact O-N 2.66Å; S86-V88 WeakPolarHBondContact CB-O 3.44Å; S86-T119 PolarHBondContact O-OG1 2.82Å | ||
| 87 | S | 94.4 | Very high | 94.4 | Very high | 41 Ų | 41 | 32.9 Ų | 32.9 | 29% | 0.287 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -78.5 | -24.7 | 169.5 | 36.5 | 0 | 0 | 0 | 0 | 111.7 | S14 K15 L120 | S14-S87 PolarHBondContact OG-OG 3.17Å; K15-S87 PolarHBondContact N-OG 3.27Å; K15-S87 PolarHBondContact O-N 3.1Å; K15-S87 PolarHBondContact O-OG 3.26Å; S87-L120 PolarHBondContact O-N 2.79Å |
| 88 | V | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 137.1 | 178.7 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | K15 C16 V17 S86 I90 L120 F122 V170 I174 | K15-V88 PolarHBondContact O-N 2.86Å; K15-V88 VanDerWaalsContact O-N 3.1Å; C16-V88 VanDerWaalsContact CA-O 3.32Å; C16-V88 WeakPolarHBondContact CA-O 3.24Å; C16-V88 HydrophobicContact CB-CB 4.15Å; V17-V88 PolarHBondContact N-O 3.09Å; S86-V88 WeakPolarHBondContact CB-O 3.44Å; V88-I90 HydrophobicContact CG1-CG1 4.21Å; V88-L120 CarbonylContact C-O 3.56Å; V88-L120 WeakPolarHBondContact CA-O 3.44Å; V88-L120 HydrophobicContact CG2-CB 4.32Å; V88-L120 HydrophobicContact CG2-CD1 4.2Å; V88-F122 HydrophobicContact CG1-CD2 3.97Å; V88-F122 HydrophobicContact CG1-CE2 4.14Å; V88-V170 HydrophobicContact CG1-CG1 4.08Å; V88-V170 HydrophobicContact CG1-CG2 4.3Å; V88-V170 HydrophobicContact CG2-CG1 4.19Å; V88-I174 HydrophobicContact CG2-CD1 3.82Å; V88-I174 HydrophobicContact CG2-CG1 3.72Å |
| 89 | A | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 127.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | V17 I111 T119 L120 I121 F122 | V17-A89 HydrophobicContact CG1-CB 3.99Å; V17-A89 WeakPolarHBondContact O-CA 3.47Å; A89-I111 HydrophobicContact CB-CD1 3.5Å; A89-I111 HydrophobicContact CB-CG1 3.95Å; A89-I111 HydrophobicContact CB-CG2 4.27Å; A89-T119 HydrophobicContact CB-CG2 3.82Å; A89-L120 PolarHBondContact N-O 3.45Å; A89-I121 WeakPolarHBondContact O-CA 3.22Å; A89-F122 PolarHBondContact O-N 3.32Å |
| 90 | I | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 107 | 176.1 | -61.6 | 179.3 | 0 | 0 | 0 | 107.8 | C16 V17 F18 L19 V88 V92 F122 V124 V170 | C16-I90 WeakPolarHBondContact SG-CD1 3.46Å; V17-I90 PolarHBondContact O-N 2.82Å; F18-I90 CarbonylContact C-O 3.45Å; F18-I90 WeakPolarHBondContact CA-O 3.39Å; F18-I90 HydrophobicContact CD1-CB 4.07Å; F18-I90 HydrophobicContact CD1-CG2 3.98Å; F18-I90 HydrophobicContact CE1-CB 4.11Å; F18-I90 HydrophobicContact CE1-CD1 3.87Å; F18-I90 HydrophobicContact CE1-CG2 3.89Å; F18-I90 HydrophobicContact CE2-CD1 4Å; F18-I90 HydrophobicContact CG-CB 4.38Å; F18-I90 HydrophobicContact CZ-CB 4.45Å; F18-I90 HydrophobicContact CZ-CD1 3.51Å; F18-I90 HydrophobicContact CZ-CG1 4.49Å; L19-I90 PolarHBondContact N-O 3.01Å; V88-I90 HydrophobicContact CG1-CG1 4.21Å; I90-V92 HydrophobicContact CG2-CG2 3.88Å; I90-F122 HydrophobicContact CG1-CB 4.19Å; I90-V124 HydrophobicContact CG2-CB 4.23Å; I90-V124 HydrophobicContact CG2-CG2 3.6Å; I90-V170 HydrophobicContact CD1-CG2 4.09Å |
| 91 | V | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 109.9 | 177.8 | -175.7 | 0 | 0 | 0 | 0 | 108.5 | L19 A104 W107 I108 I111 I121 F122 L123 V124 | L19-V91 HydrophobicContact CB-CG2 4.47Å; L19-V91 WeakPolarHBondContact O-CA 3.45Å; V91-A104 HydrophobicContact CG1-CB 3.83Å; V91-W107 HydrophobicContact CG1-CB 3.91Å; V91-W107 HydrophobicContact CG2-CB 4.27Å; V91-I108 HydrophobicContact CG2-CG1 4.28Å; V91-I111 HydrophobicContact CG2-CD1 3.55Å; V91-I121 HydrophobicContact CG2-CG2 4.19Å; V91-F122 PolarHBondContact N-O 2.85Å; V91-L123 HydrophobicContact CB-CD1 4.48Å; V91-L123 HydrophobicContact CG1-CD1 4.38Å; V91-L123 WeakPolarHBondContact O-CA 3.44Å; V91-V124 PolarHBondContact O-N 3.06Å |
| 92 | V | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 132 | -175 | -171.4 | 0 | 0 | 0 | 0 | 110.2 | F18 L19 G20 A24 K26 I29 I90 V124 N126 | F18-V92 HydrophobicContact CD1-CG2 4.16Å; L19-V92 PolarHBondContact O-N 3.02Å; G20-V92 WeakPolarHBondContact CA-O 3.32Å; A24-V92 HydrophobicContact CB-CB 4.42Å; A24-V92 HydrophobicContact CB-CG1 4.17Å; K26-V92 HydrophobicContact CG-CB 4Å; K26-V92 HydrophobicContact CG-CG2 3.95Å; I29-V92 HydrophobicContact CD1-CG1 3.78Å; I29-V92 HydrophobicContact CD1-CG2 4.08Å; I90-V92 HydrophobicContact CG2-CG2 3.88Å; V92-V124 WeakPolarHBondContact CA-O 3.44Å; V92-V124 HydrophobicContact CG2-CB 4.4Å; V92-N126 HydrophobicContact CG1-CB 3.84Å |
| 93 | Y | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 159.3 | 166.1 | 75 | -85.2 | 0 | 0 | 0 | 110.3 | V95 F101 L123 V124 G125 N126 V136 A141 F152 | Y93-V95 HydrophobicContact CE2-CG1 3.87Å; Y93-F101 AromaticContact CD1-CD2 3.93Å; Y93-F101 HydrophobicContact CD1-CD2 3.93Å; Y93-F101 HydrophobicContact CD2-CB 3.78Å; Y93-F101 AromaticContact CD2-CD2 3.8Å; Y93-F101 HydrophobicContact CD2-CD2 3.8Å; Y93-F101 HydrophobicContact CD2-CG 4.23Å; Y93-F101 AromaticContact CE1-CD2 3.94Å; Y93-F101 HydrophobicContact CE1-CD2 3.94Å; Y93-F101 HydrophobicContact CE1-CE2 4.29Å; Y93-F101 HydrophobicContact CE2-CB 4.39Å; Y93-F101 AromaticContact CE2-CD2 3.83Å; Y93-F101 HydrophobicContact CE2-CD2 3.83Å; Y93-F101 HydrophobicContact CE2-CG 4.44Å; Y93-F101 HydrophobicContact CG-CB 4.11Å; Y93-F101 AromaticContact CG-CD2 3.87Å; Y93-F101 HydrophobicContact CG-CD2 3.87Å; Y93-F101 AromaticContact CZ-CD2 3.92Å; Y93-L123 HydrophobicContact CD1-CD1 3.8Å; Y93-L123 HydrophobicContact CD1-CG 4.16Å; Y93-L123 HydrophobicContact CE1-CD1 4.15Å; Y93-L123 HydrophobicContact CE1-CD2 4.36Å; Y93-L123 HydrophobicContact CE1-CG 3.98Å; Y93-V124 WeakPolarHBondContact CD1-O 3.3Å; Y93-V124 PolarHBondContact N-O 2.84Å; Y93-G125 WeakPolarHBondContact OH-CA 3.47Å; Y93-N126 PolarHBondContact O-N 3.14Å; Y93-V136 HydrophobicContact CE2-CB 4.1Å; Y93-V136 HydrophobicContact CE2-CG1 3.85Å; Y93-V136 HydrophobicContact CE2-CG2 4.49Å; Y93-A141 HydrophobicContact CE1-CB 4.22Å; Y93-A141 WeakPolarHBondContact OH-CB 3.42Å; Y93-F152 HydrophobicContact CE1-CE2 4.34Å |
| 94 | D | 98.6 | Very high | 97.2 | Very high | 12 Ų | 12 | 35.7 Ų | 35.7 | 6% | 0.064 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 123.7 | 174.6 | 171.6 | -4.8 | 0 | 0 | 0 | 108.8 | T96 S97 S100 K127 | D94-T96 VanDerWaalsContact CG-OG1 3.23Å; D94-T96 PolarHBondContact O-N 2.95Å; D94-T96 VanDerWaalsContact O-N 3.09Å; D94-T96 WeakPolarHBondContact OD1-CA 3.17Å; D94-T96 WeakPolarHBondContact OD1-CB 3.33Å; D94-T96 PolarHBondContact OD1-N 3.2Å; D94-T96 PolarHBondContact OD1-OG1 3.21Å; D94-T96 PolarHBondContact OD2-OG1 2.88Å; D94-S97 CarbonylContact O-C 3.44Å; D94-S97 PolarHBondContact O-N 3.35Å; D94-S100 PolarHBondContact N-OG 3.41Å; D94-S100 PolarHBondContact O-OG 2.94Å; D94-K127 HydrophobicContact CB-CD 4.39Å; D94-K127 WeakPolarHBondContact OD2-CD 2.89Å; D94-K127 VanDerWaalsContact OD2-CE 3.24Å; D94-K127 WeakPolarHBondContact OD2-CE 3.32Å; D94-K127 IonicContact OD2-NZ 3.88Å; D94-K127 PolarHBondContact OD2-NZ 2.74Å |
| 95 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -17.3 | -177.8 | -58.8 | 0 | 0 | 0 | 0 | 113.7 | Y93 N126 K127 V128 R134 V135 V136 | Y93-V95 HydrophobicContact CE2-CG1 3.87Å; V95-N126 WeakPolarHBondContact CG1-O 3.47Å; V95-N126 WeakPolarHBondContact CG2-O 2.84Å; V95-N126 PolarHBondContact N-O 3.08Å; V95-K127 WeakPolarHBondContact CG2-O 3.25Å; V95-V128 HydrophobicContact CG1-CG1 4.05Å; V95-V128 HydrophobicContact CG2-CG1 4.41Å; V95-R134 HydrophobicContact CB-CG 4.45Å; V95-V135 PolarHBondContact O-N 3.44Å; V95-V136 PolarHBondContact O-N 3.33Å; V95-V136 VanDerWaalsContact O-N 3.11Å |
| 96 | T | 98.6 | Very high | 97.8 | Very high | 38 Ų | 38 | 33.5 Ų | 33.5 | 23% | 0.233 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -4 | 174.6 | 75 | 0 | 0 | 0 | 0 | 113.2 | D94 L130 K133 V135 | D94-T96 VanDerWaalsContact CG-OG1 3.23Å; D94-T96 PolarHBondContact O-N 2.95Å; D94-T96 VanDerWaalsContact O-N 3.09Å; D94-T96 WeakPolarHBondContact OD1-CA 3.17Å; D94-T96 WeakPolarHBondContact OD1-CB 3.33Å; D94-T96 PolarHBondContact OD1-N 3.2Å; D94-T96 PolarHBondContact OD1-OG1 3.21Å; D94-T96 PolarHBondContact OD2-OG1 2.88Å; T96-L130 HydrophobicContact CG2-CB 3.6Å; T96-L130 HydrophobicContact CG2-CD1 4Å; T96-L130 HydrophobicContact CG2-CG 4.46Å; T96-K133 WeakPolarHBondContact CA-O 3.49Å; T96-K133 WeakPolarHBondContact CB-O 3.41Å; T96-K133 HydrophobicContact CG2-CB 3.73Å; T96-V135 VanDerWaalsContact C-CG2 3.44Å; T96-V135 WeakPolarHBondContact O-CG2 3.4Å |
| 97 | S | 98.5 | Very high | 97.8 | Very high | 38 Ų | 38 | 33.8 Ų | 33.8 | 27% | 0.266 | 17% | 0.167 | S | C | . | . | trans | -122.4 | 99.2 | 179.4 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | D94 E99 S100 F101 | D94-S97 CarbonylContact O-C 3.44Å; D94-S97 PolarHBondContact O-N 3.35Å; S97-E99 PolarHBondContact O-N 3.09Å; S97-S100 WeakPolarHBondContact CB-OG 3.09Å; S97-S100 PolarHBondContact O-N 2.79Å; S97-S100 VanDerWaalsContact O-N 3.12Å; S97-S100 PolarHBondContact O-OG 3.38Å; S97-S100 PolarHBondContact OG-N 2.98Å; S97-F101 PolarHBondContact O-N 2.79Å | ||
| 98 | R | 98.5 | Very high | 97.9 | Very high | 94 Ų | 94 | 32 Ų | 32 | 36% | 0.355 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -53.4 | -39.5 | 172.6 | 177.7 | 58.2 | 63.6 | 173.9 | 6.7 | 112.1 | F101 V102 V135 E140 | R98-F101 PolarHBondContact O-N 2.79Å; R98-V102 WeakPolarHBondContact O-CG2 3.48Å; R98-V102 PolarHBondContact O-N 3.27Å; R98-V135 HydrophobicContact CB-CG2 3.93Å; R98-V135 VanDerWaalsContact N-CG2 3.32Å; R98-V135 PolarHBondContact NH2-O 3.22Å; R98-E140 IonicContact CZ-OE1 3.07Å; R98-E140 IonicContact CZ-OE2 3.7Å; R98-E140 IonicContact NH1-OE1 2.67Å; R98-E140 PolarHBondContact NH1-OE1 3.32Å; R98-E140 IonicContact NH1-OE2 3.4Å; R98-E140 PolarHBondContact NH1-OE2 2.9Å; R98-E140 IonicContact NH2-OE1 2.81Å; R98-E140 IonicContact NH2-OE2 2.97Å; R98-E140 PolarHBondContact NH2-OE2 2.87Å |
| 99 | E | 98.1 | Very high | 97.8 | Very high | 111 Ų | 111 | 35.2 Ų | 35.2 | 52% | 0.519 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 178.8 | -178 | 176.4 | -170.2 | 0 | 0 | 111.8 | S97 F101 V102 R103 | S97-E99 PolarHBondContact O-N 3.09Å; E99-F101 VanDerWaalsContact C-N 3.26Å; E99-F101 PolarHBondContact O-N 2.79Å; E99-V102 PolarHBondContact O-N 2.68Å; E99-R103 HydrophobicContact CG-CG 4.38Å; E99-R103 WeakPolarHBondContact O-CB 3.41Å; E99-R103 WeakPolarHBondContact O-CG 3.45Å; E99-R103 PolarHBondContact O-N 3.44Å; E99-R103 IonicContact OE1-CZ 3.21Å; E99-R103 IonicContact OE1-NE 2.68Å; E99-R103 PolarHBondContact OE1-NE 3.03Å; E99-R103 VanDerWaalsContact OE1-NE 3.12Å; E99-R103 IonicContact OE1-NH2 2.69Å; E99-R103 PolarHBondContact OE1-NH2 3.03Å |
| 100 | S | 98.2 | Very high | 97.6 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 5% | 0.049 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.1 | -35 | 179.2 | 74.9 | 0 | 0 | 0 | 0 | 112.6 | D94 S97 A104 | D94-S100 PolarHBondContact N-OG 3.41Å; D94-S100 PolarHBondContact O-OG 2.94Å; S97-S100 WeakPolarHBondContact CB-OG 3.09Å; S97-S100 PolarHBondContact O-N 2.79Å; S97-S100 VanDerWaalsContact O-N 3.12Å; S97-S100 PolarHBondContact O-OG 3.38Å; S97-S100 PolarHBondContact OG-N 2.98Å; S100-A104 PolarHBondContact O-N 2.93Å; S100-A104 VanDerWaalsContact O-N 3.15Å |
| 101 | F | 98.8 | Very high | 97.4 | Very high | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.3 | -40.8 | 176.2 | 177.7 | -109.7 | 0 | 0 | 0 | 112.7 | Y93 S97 R98 E99 A104 L123 V136 E140 A141 K144 | Y93-F101 AromaticContact CD1-CD2 3.93Å; Y93-F101 HydrophobicContact CD1-CD2 3.93Å; Y93-F101 HydrophobicContact CD2-CB 3.78Å; Y93-F101 AromaticContact CD2-CD2 3.8Å; Y93-F101 HydrophobicContact CD2-CD2 3.8Å; Y93-F101 HydrophobicContact CD2-CG 4.23Å; Y93-F101 AromaticContact CE1-CD2 3.94Å; Y93-F101 HydrophobicContact CE1-CD2 3.94Å; Y93-F101 HydrophobicContact CE1-CE2 4.29Å; Y93-F101 HydrophobicContact CE2-CB 4.39Å; Y93-F101 AromaticContact CE2-CD2 3.83Å; Y93-F101 HydrophobicContact CE2-CD2 3.83Å; Y93-F101 HydrophobicContact CE2-CG 4.44Å; Y93-F101 HydrophobicContact CG-CB 4.11Å; Y93-F101 AromaticContact CG-CD2 3.87Å; Y93-F101 HydrophobicContact CG-CD2 3.87Å; Y93-F101 AromaticContact CZ-CD2 3.92Å; S97-F101 PolarHBondContact O-N 2.79Å; R98-F101 PolarHBondContact O-N 2.79Å; E99-F101 VanDerWaalsContact C-N 3.26Å; E99-F101 PolarHBondContact O-N 2.79Å; F101-A104 VanDerWaalsContact O-CB 3.23Å; F101-A104 WeakPolarHBondContact O-CB 3.16Å; F101-A104 PolarHBondContact O-N 3.18Å; F101-L123 HydrophobicContact CE2-CD2 4.32Å; F101-V136 HydrophobicContact CB-CG1 4.33Å; F101-V136 HydrophobicContact CB-CG2 3.77Å; F101-V136 HydrophobicContact CD1-CG1 3.9Å; F101-V136 HydrophobicContact CD1-CG2 4.28Å; F101-V136 HydrophobicContact CD2-CG1 3.87Å; F101-V136 HydrophobicContact CE1-CG1 4.07Å; F101-V136 HydrophobicContact CE2-CG1 4.04Å; F101-V136 HydrophobicContact CG-CG1 3.77Å; F101-V136 HydrophobicContact CG-CG2 4.06Å; F101-V136 HydrophobicContact CZ-CG1 4.12Å; F101-E140 HydrophobicContact CE1-CG 4.02Å; F101-E140 HydrophobicContact CZ-CG 4.17Å; F101-A141 HydrophobicContact CE2-CB 3.73Å; F101-A141 HydrophobicContact CZ-CB 4.22Å; F101-K144 HydrophobicContact CD2-CD 4.45Å; F101-K144 HydrophobicContact CE1-CD 4.41Å; F101-K144 HydrophobicContact CE2-CB 4.37Å; F101-K144 HydrophobicContact CE2-CD 3.68Å; F101-K144 HydrophobicContact CZ-CB 3.95Å; F101-K144 HydrophobicContact CZ-CD 3.68Å; F101-K144 HydrophobicContact CZ-CG 4.43Å |
| 102 | V | 98.4 | Very high | 97.2 | Very high | 81 Ų | 81 | 42 Ų | 42 | 49% | 0.491 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.3 | -43.2 | 175 | 172 | 0 | 0 | 0 | 0 | 110.5 | R98 E99 A104 D105 | R98-V102 WeakPolarHBondContact O-CG2 3.48Å; R98-V102 PolarHBondContact O-N 3.27Å; E99-V102 PolarHBondContact O-N 2.68Å; V102-A104 PolarHBondContact O-N 3.45Å; V102-D105 WeakPolarHBondContact O-CB 3.23Å; V102-D105 PolarHBondContact O-N 3.24Å |
| 103 | R | 97.1 | Very high | 97 | Very high | 110 Ų | 110 | 46.5 Ų | 46.5 | 42% | 0.415 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -69.3 | -15.5 | 178.5 | -71.1 | -171.4 | -177.9 | -162.2 | 5 | 113.7 | E21 E99 D105 K106 W107 | E21-R103 HydrophobicContact CG-CB 3.74Å; E21-R103 HydrophobicContact CG-CG 4.29Å; E21-R103 WeakPolarHBondContact OE1-CD 3.43Å; E21-R103 WeakPolarHBondContact OE2-CD 3.29Å; E21-R103 IonicContact OE2-CZ 2.8Å; E21-R103 IonicContact OE2-NE 2.77Å; E21-R103 IonicContact OE2-NH1 2.79Å; E21-R103 PolarHBondContact OE2-NH1 2.98Å; E99-R103 HydrophobicContact CG-CG 4.38Å; E99-R103 WeakPolarHBondContact O-CB 3.41Å; E99-R103 WeakPolarHBondContact O-CG 3.45Å; E99-R103 PolarHBondContact O-N 3.44Å; E99-R103 IonicContact OE1-CZ 3.21Å; E99-R103 IonicContact OE1-NE 2.68Å; E99-R103 PolarHBondContact OE1-NE 3.03Å; E99-R103 VanDerWaalsContact OE1-NE 3.12Å; E99-R103 IonicContact OE1-NH2 2.69Å; E99-R103 PolarHBondContact OE1-NH2 3.03Å; R103-D105 PolarHBondContact O-N 3.04Å; R103-K106 WeakPolarHBondContact O-CB 3.38Å; R103-K106 PolarHBondContact O-N 3.42Å; R103-K106 VanDerWaalsContact O-N 3.08Å; R103-W107 VanDerWaalsContact O-CD1 3.26Å |
| 104 | A | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -54.9 | -32.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V91 S100 F101 V102 K106 W107 I108 L123 | V91-A104 HydrophobicContact CG1-CB 3.83Å; S100-A104 PolarHBondContact O-N 2.93Å; S100-A104 VanDerWaalsContact O-N 3.15Å; F101-A104 VanDerWaalsContact O-CB 3.23Å; F101-A104 WeakPolarHBondContact O-CB 3.16Å; F101-A104 PolarHBondContact O-N 3.18Å; V102-A104 PolarHBondContact O-N 3.45Å; A104-K106 VanDerWaalsContact C-N 3.29Å; A104-K106 PolarHBondContact O-N 3.48Å; A104-W107 PolarHBondContact O-N 2.88Å; A104-W107 VanDerWaalsContact O-N 3.14Å; A104-I108 WeakPolarHBondContact O-CD1 3.47Å; A104-I108 VanDerWaalsContact O-CG1 3.31Å; A104-I108 WeakPolarHBondContact O-CG1 3.46Å; A104-I108 PolarHBondContact O-N 2.9Å; A104-L123 HydrophobicContact CB-CD1 4.05Å |
| 105 | D | 97.5 | Very high | 96.2 | Very high | 61 Ų | 61 | 52.5 Ų | 52.5 | 33% | 0.326 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.5 | -36.5 | 178 | -67.3 | -28.3 | 0 | 0 | 0 | 112.4 | V102 R103 S109 K144 | V102-D105 WeakPolarHBondContact O-CB 3.23Å; V102-D105 PolarHBondContact O-N 3.24Å; R103-D105 PolarHBondContact O-N 3.04Å; D105-S109 WeakPolarHBondContact O-CB 3.45Å; D105-S109 PolarHBondContact O-N 2.67Å; D105-K144 IonicContact OD1-NZ 2.72Å; D105-K144 PolarHBondContact OD1-NZ 3.24Å; D105-K144 IonicContact OD2-NZ 3Å; D105-K144 PolarHBondContact OD2-NZ 3.32Å |
| 106 | K | 95.4 | Very high | 95 | Very high | 102 Ų | 102 | 57.7 Ų | 57.7 | 44% | 0.443 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61 | -49.6 | 174.1 | -179.6 | -167.2 | 169.2 | -172.1 | 0 | 110.3 | R103 A104 I108 S109 E110 | R103-K106 WeakPolarHBondContact O-CB 3.38Å; R103-K106 PolarHBondContact O-N 3.42Å; R103-K106 VanDerWaalsContact O-N 3.08Å; A104-K106 VanDerWaalsContact C-N 3.29Å; A104-K106 PolarHBondContact O-N 3.48Å; K106-I108 PolarHBondContact O-N 3.47Å; K106-S109 WeakPolarHBondContact O-CB 3.39Å; K106-S109 PolarHBondContact O-N 3.3Å; K106-E110 WeakPolarHBondContact O-CB 3.48Å; K106-E110 PolarHBondContact O-N 2.89Å |
| 107 | W | 95.2 | Very high | 93.7 | Very high | 7 Ų | 7 | 60.7 Ų | 60.7 | 3% | 0.027 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.7 | -41.1 | -178.6 | -62.5 | 112.6 | 0 | 0 | 0 | 112 | L19 E21 I79 V91 R103 A104 E110 I111 | L19-W107 HydrophobicContact CB-CB 4.3Å; L19-W107 HydrophobicContact CB-CD2 4.24Å; L19-W107 HydrophobicContact CB-CE3 4.28Å; L19-W107 HydrophobicContact CB-CG 4.28Å; L19-W107 HydrophobicContact CD2-CE3 4.1Å; L19-W107 HydrophobicContact CD2-CZ3 4.3Å; E21-W107 PolarHBondContact OE1-NE1 3.32Å; E21-W107 VanDerWaalsContact OE1-NE1 3.1Å; I79-W107 HydrophobicContact CD1-CH2 3.39Å; I79-W107 HydrophobicContact CD1-CZ3 3.42Å; I79-W107 VanDerWaalsContact CD1-CZ3 3.42Å; I79-W107 HydrophobicContact CG2-CZ3 4.02Å; V91-W107 HydrophobicContact CG1-CB 3.91Å; V91-W107 HydrophobicContact CG2-CB 4.27Å; R103-W107 VanDerWaalsContact O-CD1 3.26Å; A104-W107 PolarHBondContact O-N 2.88Å; A104-W107 VanDerWaalsContact O-N 3.14Å; W107-E110 PolarHBondContact O-N 3.1Å; W107-I111 WeakPolarHBondContact O-CD1 3.45Å; W107-I111 VanDerWaalsContact O-CG1 3.23Å; W107-I111 WeakPolarHBondContact O-CG1 3.41Å; W107-I111 PolarHBondContact O-N 3.2Å |
| 108 | I | 96.2 | Very high | 92.6 | Very high | 3 Ų | 3 | 66.5 Ų | 66.5 | 2% | 0.015 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 175.2 | -65.7 | 156.8 | 0 | 0 | 0 | 110.9 | V91 A104 K106 I111 R112 L150 | V91-I108 HydrophobicContact CG2-CG1 4.28Å; A104-I108 WeakPolarHBondContact O-CD1 3.47Å; A104-I108 VanDerWaalsContact O-CG1 3.31Å; A104-I108 WeakPolarHBondContact O-CG1 3.46Å; A104-I108 PolarHBondContact O-N 2.9Å; K106-I108 PolarHBondContact O-N 3.47Å; I108-I111 PolarHBondContact O-N 3.1Å; I108-R112 WeakPolarHBondContact O-CG 3.26Å; I108-R112 PolarHBondContact O-N 2.59Å; I108-R112 VanDerWaalsContact O-N 3.07Å; I108-L150 HydrophobicContact CD1-CD1 3.56Å; I108-L150 HydrophobicContact CG1-CD1 4.03Å; I108-L150 HydrophobicContact CG2-CD2 4.42Å |
| 109 | S | 95.1 | Very high | 92.3 | Very high | 69 Ų | 69 | 63.1 Ų | 63.1 | 48% | 0.483 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 176.6 | -172.6 | 0 | 0 | 0 | 0 | 112.2 | D105 K106 R112 T113 | D105-S109 WeakPolarHBondContact O-CB 3.45Å; D105-S109 PolarHBondContact O-N 2.67Å; K106-S109 WeakPolarHBondContact O-CB 3.39Å; K106-S109 PolarHBondContact O-N 3.3Å; S109-R112 PolarHBondContact O-N 3Å; S109-T113 WeakPolarHBondContact O-CB 3.39Å; S109-T113 PolarHBondContact O-N 2.91Å; S109-T113 PolarHBondContact O-OG1 2.81Å |
| 110 | E | 93.7 | Very high | 92.2 | Very high | 35 Ų | 35 | 59.2 Ų | 59.2 | 16% | 0.164 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 177.9 | -162.6 | 167.7 | 161.5 | 0 | 0 | 111.4 | I83 K106 W107 R112 T113 E114 | I83-E110 HydrophobicContact CD1-CB 4.39Å; I83-E110 HydrophobicContact CD1-CG 4Å; K106-E110 WeakPolarHBondContact O-CB 3.48Å; K106-E110 PolarHBondContact O-N 2.89Å; W107-E110 PolarHBondContact O-N 3.1Å; E110-R112 PolarHBondContact O-N 2.84Å; E110-T113 PolarHBondContact O-N 2.86Å; E110-E114 WeakPolarHBondContact O-CG 3.42Å; E110-E114 PolarHBondContact O-N 3.04Å |
| 111 | I | 95.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.5 | -48.3 | 173.5 | -63.9 | 155.3 | 0 | 0 | 0 | 111.2 | L19 I83 A89 V91 W107 I108 T113 E114 R115 T119 I121 | L19-I111 HydrophobicContact CD1-CD1 3.77Å; L19-I111 HydrophobicContact CD1-CG1 3.67Å; I83-I111 HydrophobicContact CD1-CG1 4.2Å; I83-I111 HydrophobicContact CG2-CB 4.33Å; I83-I111 HydrophobicContact CG2-CG1 4.27Å; I83-I111 HydrophobicContact CG2-CG2 4.35Å; A89-I111 HydrophobicContact CB-CD1 3.5Å; A89-I111 HydrophobicContact CB-CG1 3.95Å; A89-I111 HydrophobicContact CB-CG2 4.27Å; V91-I111 HydrophobicContact CG2-CD1 3.55Å; W107-I111 WeakPolarHBondContact O-CD1 3.45Å; W107-I111 VanDerWaalsContact O-CG1 3.23Å; W107-I111 WeakPolarHBondContact O-CG1 3.41Å; W107-I111 PolarHBondContact O-N 3.2Å; I108-I111 PolarHBondContact O-N 3.1Å; I111-T113 VanDerWaalsContact C-N 3.28Å; I111-T113 PolarHBondContact O-N 2.85Å; I111-E114 PolarHBondContact O-N 3.33Å; I111-R115 WeakPolarHBondContact O-CA 3.5Å; I111-R115 WeakPolarHBondContact O-CB 3.34Å; I111-R115 PolarHBondContact O-N 2.89Å; I111-T119 HydrophobicContact CG2-CG2 3.91Å; I111-I121 HydrophobicContact CB-CD1 4.16Å; I111-I121 HydrophobicContact CD1-CD1 4.42Å; I111-I121 HydrophobicContact CD1-CG2 4.03Å; I111-I121 HydrophobicContact CG2-CD1 3.56Å; I111-I121 HydrophobicContact CG2-CG1 3.95Å |
| 112 | R | 94.6 | Very high | 92.2 | Very high | 105 Ų | 105 | 59.4 Ų | 59.4 | 40% | 0.396 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67 | -30.3 | -179.1 | -72.8 | 177.4 | 176.2 | 164.2 | 5.5 | 112.8 | I108 S109 E110 P116 I121 E148 | I108-R112 WeakPolarHBondContact O-CG 3.26Å; I108-R112 PolarHBondContact O-N 2.59Å; I108-R112 VanDerWaalsContact O-N 3.07Å; S109-R112 PolarHBondContact O-N 3Å; E110-R112 PolarHBondContact O-N 2.84Å; R112-P116 WeakPolarHBondContact O-CA 3.34Å; R112-I121 HydrophobicContact CG-CD1 4.48Å; R112-E148 IonicContact CZ-OE2 2.77Å; R112-E148 IonicContact NH1-OE2 3.6Å; R112-E148 PolarHBondContact NH1-OE2 3.09Å; R112-E148 PolarHBondContact NH2-O 3.34Å; R112-E148 IonicContact NH2-OE2 3.58Å; R112-E148 PolarHBondContact NH2-OE2 2.8Å |
| 113 | T | 93.4 | Very high | 92.2 | Very high | 95 Ų | 95 | 55.5 Ų | 55.5 | 58% | 0.583 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -68.6 | -48.8 | 175.7 | -58 | 0 | 0 | 0 | 0 | 110.8 | S109 E110 I111 | S109-T113 WeakPolarHBondContact O-CB 3.39Å; S109-T113 PolarHBondContact O-N 2.91Å; S109-T113 PolarHBondContact O-OG1 2.81Å; E110-T113 PolarHBondContact O-N 2.86Å; I111-T113 VanDerWaalsContact C-N 3.28Å; I111-T113 PolarHBondContact O-N 2.85Å |
| 114 | E | 92 | Very high | 92.3 | Very high | 67 Ų | 67 | 50.3 Ų | 50.3 | 31% | 0.313 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -78.4 | -26.9 | -177.1 | -64 | -57.5 | 140.8 | 0 | 0 | 113.2 | P80 I83 K84 E110 I111 | P80-E114 HydrophobicContact CB-CG 4.16Å; I83-E114 HydrophobicContact CB-CB 4.26Å; I83-E114 HydrophobicContact CG2-CB 3.65Å; I83-E114 HydrophobicContact CG2-CG 4.29Å; K84-E114 HydrophobicContact CB-CB 4.25Å; E110-E114 WeakPolarHBondContact O-CG 3.42Å; E110-E114 PolarHBondContact O-N 3.04Å; I111-E114 PolarHBondContact O-N 3.33Å |
| 115 | R | 87.8 | Confident | 92.3 | Very high | 71 Ų | 71 | 50.2 Ų | 50.2 | 27% | 0.268 | 26% | 0.263 | S | S | . | . | trans | -137.7 | 75 | -176.9 | -76.3 | -72.9 | -170.9 | 143.6 | -9.5 | 112.5 | I83 K84 I111 S117 T119 | I83-R115 HydrophobicContact CG2-CG 4.36Å; I83-R115 WeakPolarHBondContact O-CG 3.44Å; K84-R115 PolarHBondContact O-NE 3.14Å; K84-R115 PolarHBondContact O-NH2 3.15Å; I111-R115 WeakPolarHBondContact O-CA 3.5Å; I111-R115 WeakPolarHBondContact O-CB 3.34Å; I111-R115 PolarHBondContact O-N 2.89Å; R115-S117 VanDerWaalsContact C-N 3.29Å; R115-S117 PolarHBondContact O-N 3.26Å; R115-T119 VanDerWaalsContact CB-OG1 3.22Å; R115-T119 WeakPolarHBondContact CB-OG1 3.29Å; R115-T119 WeakPolarHBondContact CG-OG1 2.97Å | ||
| 116 | P | 74.4 | Confident | 92.4 | Very high | 109 Ų | 109 | 47.5 Ų | 47.5 | 71% | 0.708 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -16.4 | -170.5 | -24.9 | 34.3 | 0 | 0 | 0 | 117.7 | R112 | R112-P116 WeakPolarHBondContact O-CA 3.34Š|
| 117 | S | 71.1 | Confident | 92.5 | Very high | 102 Ų | 102 | 45.1 Ų | 45.1 | 71% | 0.713 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -146.1 | 12.7 | -169.2 | 57.5 | 0 | 0 | 0 | 0 | 117.1 | R115 | R115-S117 VanDerWaalsContact C-N 3.29Å; R115-S117 PolarHBondContact O-N 3.26Å |
| 118 | K | 76.5 | Confident | 92.7 | Very high | 160 Ų | 160 | 45.7 Ų | 45.7 | 70% | 0.696 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -146.8 | 4.5 | -165.6 | -65 | -171.1 | 179.4 | -177.3 | 0 | 117.5 | ||
| 119 | T | 91 | Very high | 92.8 | Very high | 23 Ų | 23 | 47.7 Ų | 47.7 | 14% | 0.141 | 25% | 0.253 | C | S | . | . | trans | -108.5 | 126.2 | -174.4 | -59.2 | 0 | 0 | 0 | 0 | 110.6 | S86 A89 I111 R115 I121 | S86-T119 PolarHBondContact O-OG1 2.82Å; A89-T119 HydrophobicContact CB-CG2 3.82Å; I111-T119 HydrophobicContact CG2-CG2 3.91Å; R115-T119 VanDerWaalsContact CB-OG1 3.22Å; R115-T119 WeakPolarHBondContact CB-OG1 3.29Å; R115-T119 WeakPolarHBondContact CG-OG1 2.97Å; T119-I121 HydrophobicContact CG2-CG1 4.24Å; T119-I121 PolarHBondContact O-N 3.34Å | ||
| 120 | L | 96.2 | Very high | 92.9 | Very high | 28 Ų | 28 | 46.5 Ų | 46.5 | 15% | 0.147 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 120.7 | 168.7 | -60.5 | 169.2 | 0 | 0 | 0 | 107.8 | S87 V88 A89 F122 F151 E173 I174 | S87-L120 PolarHBondContact O-N 2.79Å; V88-L120 CarbonylContact C-O 3.56Å; V88-L120 WeakPolarHBondContact CA-O 3.44Å; V88-L120 HydrophobicContact CG2-CB 4.32Å; V88-L120 HydrophobicContact CG2-CD1 4.2Å; A89-L120 PolarHBondContact N-O 3.45Å; L120-F122 HydrophobicContact CB-CE2 4.19Å; L120-F151 HydrophobicContact CB-CE2 4.37Å; L120-F151 HydrophobicContact CD2-CE2 3.9Å; L120-F151 HydrophobicContact CD2-CZ 4.37Å; L120-E173 HydrophobicContact CD1-CB 3.76Å; L120-E173 HydrophobicContact CD2-CB 4.31Å; L120-I174 HydrophobicContact CD1-CG1 4.17Å |
| 121 | I | 97.9 | Very high | 93.2 | Very high | 17 Ų | 17 | 50.1 Ų | 50.1 | 9% | 0.087 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122.9 | -176.1 | -48.8 | 177.2 | 0 | 0 | 0 | 109.4 | A89 V91 I111 R112 T119 L150 F151 | A89-I121 WeakPolarHBondContact O-CA 3.22Å; V91-I121 HydrophobicContact CG2-CG2 4.19Å; I111-I121 HydrophobicContact CB-CD1 4.16Å; I111-I121 HydrophobicContact CD1-CD1 4.42Å; I111-I121 HydrophobicContact CD1-CG2 4.03Å; I111-I121 HydrophobicContact CG2-CD1 3.56Å; I111-I121 HydrophobicContact CG2-CG1 3.95Å; R112-I121 HydrophobicContact CG-CD1 4.48Å; T119-I121 HydrophobicContact CG2-CG1 4.24Å; T119-I121 PolarHBondContact O-N 3.34Å; I121-L150 HydrophobicContact CB-CD2 3.71Å; I121-L150 HydrophobicContact CD1-CD2 4.22Å; I121-L150 HydrophobicContact CG2-CD2 3.76Å; I121-F151 PolarHBondContact O-N 2.89Å |
| 122 | F | 98.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 126.8 | 175 | -71.5 | -106.1 | 0 | 0 | 0 | 109 | V88 A89 I90 V91 L120 V124 F151 L166 E169 V170 E173 | V88-F122 HydrophobicContact CG1-CD2 3.97Å; V88-F122 HydrophobicContact CG1-CE2 4.14Å; A89-F122 PolarHBondContact O-N 3.32Å; I90-F122 HydrophobicContact CG1-CB 4.19Å; V91-F122 PolarHBondContact N-O 2.85Å; L120-F122 HydrophobicContact CB-CE2 4.19Å; F122-V124 HydrophobicContact CB-CG2 4.29Å; F122-F151 CarbonylContact C-O 3.56Å; F122-F151 WeakPolarHBondContact CA-O 2.89Å; F122-F151 HydrophobicContact CB-CB 4.45Å; F122-F151 HydrophobicContact CD1-CB 3.32Å; F122-F151 HydrophobicContact CD1-CD2 4.43Å; F122-F151 HydrophobicContact CD1-CG 4.07Å; F122-F151 HydrophobicContact CD2-CB 4.29Å; F122-F151 HydrophobicContact CD2-CD2 4.02Å; F122-F151 HydrophobicContact CD2-CG 4.48Å; F122-F151 HydrophobicContact CE1-CB 3.39Å; F122-F151 HydrophobicContact CE1-CD1 4.34Å; F122-F151 HydrophobicContact CE1-CD2 4.09Å; F122-F151 AromaticContact CE1-CG 3.69Å; F122-F151 HydrophobicContact CE1-CG 3.69Å; F122-F151 HydrophobicContact CE2-CB 4.34Å; F122-F151 AromaticContact CE2-CD2 3.65Å; F122-F151 HydrophobicContact CE2-CD2 3.65Å; F122-F151 HydrophobicContact CE2-CE2 4.26Å; F122-F151 HydrophobicContact CE2-CG 4.13Å; F122-F151 HydrophobicContact CG-CB 3.78Å; F122-F151 HydrophobicContact CG-CD2 4.38Å; F122-F151 HydrophobicContact CG-CG 4.43Å; F122-F151 HydrophobicContact CZ-CB 3.92Å; F122-F151 HydrophobicContact CZ-CD1 4.35Å; F122-F151 AromaticContact CZ-CD2 3.68Å; F122-F151 HydrophobicContact CZ-CD2 3.68Å; F122-F151 HydrophobicContact CZ-CE2 4.31Å; F122-F151 AromaticContact CZ-CG 3.71Å; F122-F151 HydrophobicContact CZ-CG 3.71Å; F122-L166 HydrophobicContact CD1-CD1 3.93Å; F122-L166 HydrophobicContact CG-CD1 4.47Å; F122-E169 HydrophobicContact CE1-CB 3.96Å; F122-V170 HydrophobicContact CD1-CG2 4.18Å; F122-V170 HydrophobicContact CD2-CG2 3.97Å; F122-V170 HydrophobicContact CE1-CG2 3.94Å; F122-V170 HydrophobicContact CE2-CB 4.46Å; F122-V170 HydrophobicContact CE2-CG2 3.71Å; F122-V170 HydrophobicContact CG-CG2 4.23Å; F122-V170 HydrophobicContact CZ-CB 4.32Å; F122-V170 HydrophobicContact CZ-CG2 3.7Å; F122-E173 HydrophobicContact CZ-CB 4.45Å; F122-E173 HydrophobicContact CZ-CG 4.25Å |
| 123 | L | 98.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 122.9 | 165.1 | -177.4 | 65.7 | 0 | 0 | 0 | 108.4 | V91 Y93 F101 A104 K144 A145 L150 F151 F152 V153 | V91-L123 HydrophobicContact CB-CD1 4.48Å; V91-L123 HydrophobicContact CG1-CD1 4.38Å; V91-L123 WeakPolarHBondContact O-CA 3.44Å; Y93-L123 HydrophobicContact CD1-CD1 3.8Å; Y93-L123 HydrophobicContact CD1-CG 4.16Å; Y93-L123 HydrophobicContact CE1-CD1 4.15Å; Y93-L123 HydrophobicContact CE1-CD2 4.36Å; Y93-L123 HydrophobicContact CE1-CG 3.98Å; F101-L123 HydrophobicContact CE2-CD2 4.32Å; A104-L123 HydrophobicContact CB-CD1 4.05Å; L123-K144 HydrophobicContact CD2-CB 4.47Å; L123-K144 HydrophobicContact CD2-CD 4.05Å; L123-K144 HydrophobicContact CD2-CG 4.33Å; L123-A145 HydrophobicContact CD2-CB 4.22Å; L123-L150 HydrophobicContact CB-CD1 4.12Å; L123-F151 PolarHBondContact N-O 2.79Å; L123-F152 HydrophobicContact CB-CD2 4.41Å; L123-F152 HydrophobicContact CD2-CD2 4.41Å; L123-F152 HydrophobicContact CG-CD2 4.38Å; L123-F152 WeakPolarHBondContact O-CA 3.33Å; L123-F152 WeakPolarHBondContact O-CD2 2.91Å; L123-V153 PolarHBondContact O-N 3.35Å |
| 124 | V | 98.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 115.3 | -175.1 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | I29 I90 V91 V92 Y93 F122 V153 T155 L166 | I29-V124 HydrophobicContact CD1-CG1 4.14Å; I90-V124 HydrophobicContact CG2-CB 4.23Å; I90-V124 HydrophobicContact CG2-CG2 3.6Å; V91-V124 PolarHBondContact O-N 3.06Å; V92-V124 WeakPolarHBondContact CA-O 3.44Å; V92-V124 HydrophobicContact CG2-CB 4.4Å; Y93-V124 WeakPolarHBondContact CD1-O 3.3Å; Y93-V124 PolarHBondContact N-O 2.84Å; F122-V124 HydrophobicContact CB-CG2 4.29Å; V124-V153 VanDerWaalsContact CA-O 3.26Å; V124-V153 WeakPolarHBondContact CA-O 3.15Å; V124-T155 HydrophobicContact CG1-CG2 3.86Å; V124-T155 WeakPolarHBondContact CG1-OG1 3.22Å; V124-L166 HydrophobicContact CG1-CD2 4.2Å; V124-L166 HydrophobicContact CG2-CD1 3.64Å; V124-L166 HydrophobicContact CG2-CD2 3.95Å; V124-L166 HydrophobicContact CG2-CG 4.47Å |
| 125 | G | 98.9 | Very high | 94 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 106.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | Y93 V153 E154 T155 | Y93-G125 WeakPolarHBondContact OH-CA 3.47Å; G125-V153 PolarHBondContact N-O 3.21Å; G125-E154 CarbonylContact O-C 3.59Å; G125-E154 WeakPolarHBondContact O-CA 3.07Å; G125-T155 PolarHBondContact O-N 3.45Å |
| 126 | N | 98.9 | Very high | 94.5 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 163 | -176.7 | -170.5 | 36.5 | 0 | 0 | 0 | 112.5 | A24 I29 V92 Y93 V95 T155 A157 | A24-N126 PolarHBondContact O-ND2 2.92Å; I29-N126 HydrophobicContact CD1-CB 4.08Å; V92-N126 HydrophobicContact CG1-CB 3.84Å; Y93-N126 PolarHBondContact O-N 3.14Å; V95-N126 WeakPolarHBondContact CG1-O 3.47Å; V95-N126 WeakPolarHBondContact CG2-O 2.84Å; V95-N126 PolarHBondContact N-O 3.08Å; N126-T155 CarbonylContact C-O 3.56Å; N126-T155 VanDerWaalsContact CA-O 3.29Å; N126-T155 WeakPolarHBondContact CA-O 3.26Å; N126-T155 PolarHBondContact OD1-O 3.32Å; N126-T155 PolarHBondContact OD1-OG1 2.96Å; N126-A157 PolarHBondContact OD1-N 3.34Å |
| 127 | K | 98.5 | Very high | 95.7 | Very high | 51 Ų | 51 | 49.7 Ų | 49.7 | 22% | 0.222 | 26% | 0.257 | C | S | . | . | trans | 71.5 | 33.9 | 178.3 | -44.3 | -170.7 | -164.3 | 169.4 | 0 | 114.6 | G23 D94 V95 D129 L130 T155 | G23-K127 WeakPolarHBondContact O-CE 3.22Å; G23-K127 PolarHBondContact O-NZ 2.77Å; D94-K127 HydrophobicContact CB-CD 4.39Å; D94-K127 WeakPolarHBondContact OD2-CD 2.89Å; D94-K127 VanDerWaalsContact OD2-CE 3.24Å; D94-K127 WeakPolarHBondContact OD2-CE 3.32Å; D94-K127 IonicContact OD2-NZ 3.88Å; D94-K127 PolarHBondContact OD2-NZ 2.74Å; V95-K127 WeakPolarHBondContact CG2-O 3.25Å; K127-D129 WeakPolarHBondContact CA-OD1 3.33Å; K127-D129 PolarHBondContact O-N 3.05Å; K127-D129 VanDerWaalsContact O-N 3.09Å; K127-L130 HydrophobicContact CB-CD1 4.17Å; K127-L130 HydrophobicContact CB-CG 4.47Å; K127-L130 HydrophobicContact CD-CD1 4.26Å; K127-L130 WeakPolarHBondContact O-CB 3.47Å; K127-L130 PolarHBondContact O-N 3.42Å; K127-T155 PolarHBondContact N-O 3.44Å | ||
| 128 | V | 98.7 | Very high | 97 | Very high | 19 Ų | 19 | 47.8 Ų | 47.8 | 12% | 0.115 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -64.8 | -9.6 | 175.5 | -57.9 | 0 | 0 | 0 | 0 | 114.5 | V95 L130 R134 E154 T155 F161 | V95-V128 HydrophobicContact CG1-CG1 4.05Å; V95-V128 HydrophobicContact CG2-CG1 4.41Å; V128-L130 PolarHBondContact O-N 3.43Å; V128-R134 VanDerWaalsContact CG1-NH2 3.33Å; V128-E154 HydrophobicContact CG1-CB 3.76Å; V128-E154 HydrophobicContact CG1-CG 4.32Å; V128-T155 PolarHBondContact N-O 2.65Å; V128-F161 HydrophobicContact CG2-CD1 3.42Å; V128-F161 VanDerWaalsContact CG2-CD1 3.42Å; V128-F161 HydrophobicContact CG2-CE1 3.81Å; V128-F161 HydrophobicContact CG2-CG 4.26Å |
| 129 | D | 98.5 | Very high | 98.1 | Very high | 46 Ų | 46 | 47.8 Ų | 47.8 | 25% | 0.246 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -66.2 | -14.8 | 167.7 | 62.2 | -76.5 | 0 | 0 | 0 | 113.3 | K127 S156 K158 T159 | K127-D129 WeakPolarHBondContact CA-OD1 3.33Å; K127-D129 PolarHBondContact O-N 3.05Å; K127-D129 VanDerWaalsContact O-N 3.09Å; D129-S156 VanDerWaalsContact CG-OG 3.32Å; D129-S156 WeakPolarHBondContact OD1-CB 3.42Å; D129-S156 PolarHBondContact OD1-OG 3.49Å; D129-K158 WeakPolarHBondContact OD2-CD 3.3Å; D129-K158 IonicContact OD2-NZ 3.8Å; D129-T159 HydrophobicContact CB-CG2 3.74Å |
| 130 | L | 98 | Very high | 98.4 | Very high | 44 Ų | 44 | 50.1 Ų | 50.1 | 23% | 0.23 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -100.2 | 45.4 | 177.2 | -56.9 | 179.8 | 0 | 0 | 0 | 111.6 | T96 K127 V128 D132 K133 R134 | T96-L130 HydrophobicContact CG2-CB 3.6Å; T96-L130 HydrophobicContact CG2-CD1 4Å; T96-L130 HydrophobicContact CG2-CG 4.46Å; K127-L130 HydrophobicContact CB-CD1 4.17Å; K127-L130 HydrophobicContact CB-CG 4.47Å; K127-L130 HydrophobicContact CD-CD1 4.26Å; K127-L130 WeakPolarHBondContact O-CB 3.47Å; K127-L130 PolarHBondContact O-N 3.42Å; V128-L130 PolarHBondContact O-N 3.43Å; L130-D132 PolarHBondContact O-N 3.15Å; L130-K133 HydrophobicContact CB-CB 4.45Å; L130-K133 CarbonylContact O-C 3.54Å; L130-K133 WeakPolarHBondContact O-CA 3.26Å; L130-K133 PolarHBondContact O-N 3.19Å; L130-R134 PolarHBondContact O-N 3.35Å |
| 131 | E | 98 | Very high | 98.5 | Very high | 110 Ų | 110 | 48.8 Ų | 48.8 | 51% | 0.514 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -58.2 | -33.8 | -175 | -168.4 | 60.1 | -150.6 | 0 | 0 | 112.8 | K133 R134 | E131-K133 PolarHBondContact O-N 2.97Å; E131-R134 VanDerWaalsContact CD-NE 3.28Å; E131-R134 VanDerWaalsContact O-CB 3.3Å; E131-R134 WeakPolarHBondContact O-CB 3.44Å; E131-R134 PolarHBondContact O-N 2.96Å; E131-R134 VanDerWaalsContact O-N 3.13Å; E131-R134 WeakPolarHBondContact OE1-CD 3.36Å; E131-R134 IonicContact OE1-NE 3.93Å; E131-R134 PolarHBondContact OE1-NE 3.34Å; E131-R134 VanDerWaalsContact OE1-NE 3.07Å; E131-R134 IonicContact OE2-CZ 2.65Å; E131-R134 IonicContact OE2-NE 3.13Å; E131-R134 PolarHBondContact OE2-NE 3.28Å; E131-R134 IonicContact OE2-NH2 3.52Å; E131-R134 PolarHBondContact OE2-NH2 3.2Å; E131-R134 VanDerWaalsContact OE2-NH2 3.09Å |
| 132 | D | 98.1 | Very high | 98.6 | Very high | 135 Ų | 135 | 49.8 Ų | 49.8 | 72% | 0.722 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -63 | -20.7 | 175.2 | 65.3 | -51.2 | 0 | 0 | 0 | 113.6 | L130 | L130-D132 PolarHBondContact O-N 3.15Š|
| 133 | K | 98.4 | Very high | 98.6 | Very high | 122 Ų | 122 | 56.9 Ų | 56.9 | 53% | 0.53 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -110.3 | 5.1 | 179.1 | -60.2 | 178.4 | -174 | 176.9 | 0 | 112.5 | T96 L130 E131 V135 | T96-K133 WeakPolarHBondContact CA-O 3.49Å; T96-K133 WeakPolarHBondContact CB-O 3.41Å; T96-K133 HydrophobicContact CG2-CB 3.73Å; L130-K133 HydrophobicContact CB-CB 4.45Å; L130-K133 CarbonylContact O-C 3.54Å; L130-K133 WeakPolarHBondContact O-CA 3.26Å; L130-K133 PolarHBondContact O-N 3.19Å; E131-K133 PolarHBondContact O-N 2.97Å; K133-V135 PolarHBondContact O-N 2.87Å |
| 134 | R | 98.7 | Very high | 98.6 | Very high | 42 Ų | 42 | 58.5 Ų | 58.5 | 16% | 0.158 | 30% | 0.295 | C | S | . | . | trans | -59.8 | 126.9 | 180 | 178.5 | -179.3 | -73.2 | -95.3 | 13.6 | 109.6 | V95 V128 L130 E131 V136 E154 | V95-R134 HydrophobicContact CB-CG 4.45Å; V128-R134 VanDerWaalsContact CG1-NH2 3.33Å; L130-R134 PolarHBondContact O-N 3.35Å; E131-R134 VanDerWaalsContact CD-NE 3.28Å; E131-R134 VanDerWaalsContact O-CB 3.3Å; E131-R134 WeakPolarHBondContact O-CB 3.44Å; E131-R134 PolarHBondContact O-N 2.96Å; E131-R134 VanDerWaalsContact O-N 3.13Å; E131-R134 WeakPolarHBondContact OE1-CD 3.36Å; E131-R134 IonicContact OE1-NE 3.93Å; E131-R134 PolarHBondContact OE1-NE 3.34Å; E131-R134 VanDerWaalsContact OE1-NE 3.07Å; E131-R134 IonicContact OE2-CZ 2.65Å; E131-R134 IonicContact OE2-NE 3.13Å; E131-R134 PolarHBondContact OE2-NE 3.28Å; E131-R134 IonicContact OE2-NH2 3.52Å; E131-R134 PolarHBondContact OE2-NH2 3.2Å; E131-R134 VanDerWaalsContact OE2-NH2 3.09Å; R134-V136 VanDerWaalsContact CD-O 3.28Å; R134-V136 WeakPolarHBondContact CD-O 3.47Å; R134-V136 WeakPolarHBondContact CG-O 3.42Å; R134-V136 PolarHBondContact NH1-O 3.13Å; R134-E154 IonicContact CZ-OE1 2.7Å; R134-E154 IonicContact CZ-OE2 3.68Å; R134-E154 IonicContact NH1-OE1 2.74Å; R134-E154 PolarHBondContact NH1-OE1 2.84Å; R134-E154 IonicContact NH1-OE2 3.21Å; R134-E154 IonicContact NH2-OE1 3.75Å; R134-E154 IonicContact NH2-OE2 3.54Å; R134-E154 PolarHBondContact NH2-OE2 3.11Å | ||
| 135 | V | 98.7 | Very high | 98.5 | Very high | 70 Ų | 70 | 58.6 Ų | 58.6 | 42% | 0.424 | 30% | 0.295 | S | S | . | . | trans | -117.7 | -11.1 | 173.4 | -57.7 | 0 | 0 | 0 | 0 | 112.5 | V95 T96 R98 K133 | V95-V135 PolarHBondContact O-N 3.44Å; T96-V135 VanDerWaalsContact C-CG2 3.44Å; T96-V135 WeakPolarHBondContact O-CG2 3.4Å; R98-V135 HydrophobicContact CB-CG2 3.93Å; R98-V135 VanDerWaalsContact N-CG2 3.32Å; R98-V135 PolarHBondContact NH2-O 3.22Å; K133-V135 PolarHBondContact O-N 2.87Å | ||
| 136 | V | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -114.9 | 117.8 | 173.7 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | Y93 V95 F101 R134 A141 | Y93-V136 HydrophobicContact CE2-CB 4.1Å; Y93-V136 HydrophobicContact CE2-CG1 3.85Å; Y93-V136 HydrophobicContact CE2-CG2 4.49Å; V95-V136 PolarHBondContact O-N 3.33Å; V95-V136 VanDerWaalsContact O-N 3.11Å; F101-V136 HydrophobicContact CB-CG1 4.33Å; F101-V136 HydrophobicContact CB-CG2 3.77Å; F101-V136 HydrophobicContact CD1-CG1 3.9Å; F101-V136 HydrophobicContact CD1-CG2 4.28Å; F101-V136 HydrophobicContact CD2-CG1 3.87Å; F101-V136 HydrophobicContact CE1-CG1 4.07Å; F101-V136 HydrophobicContact CE2-CG1 4.04Å; F101-V136 HydrophobicContact CG-CG1 3.77Å; F101-V136 HydrophobicContact CG-CG2 4.06Å; F101-V136 HydrophobicContact CZ-CG1 4.12Å; R134-V136 VanDerWaalsContact CD-O 3.28Å; R134-V136 WeakPolarHBondContact CD-O 3.47Å; R134-V136 WeakPolarHBondContact CG-O 3.42Å; R134-V136 PolarHBondContact NH1-O 3.13Å; V136-A141 HydrophobicContact CG1-CB 4.38Å |
| 137 | T | 98.6 | Very high | 98.5 | Very high | 70 Ų | 70 | 73.7 Ų | 73.7 | 43% | 0.429 | 36% | 0.363 | S | S | . | . | trans | -76.4 | 151.1 | -179.7 | 67.5 | 0 | 0 | 0 | 0 | 111 | E139 E140 A141 | T137-E139 PolarHBondContact O-N 3.31Å; T137-E140 PolarHBondContact O-N 3.3Å; T137-E140 WeakPolarHBondContact OG1-CB 3.49Å; T137-E140 PolarHBondContact OG1-N 3.04Å; T137-A141 PolarHBondContact O-N 2.9Å; T137-A141 VanDerWaalsContact O-N 3.15Å | ||
| 138 | T | 98.6 | Very high | 98.3 | Very high | 62 Ų | 62 | 72.9 Ų | 72.9 | 38% | 0.38 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.6 | -38.7 | 174.8 | -49.2 | 0 | 0 | 0 | 0 | 111.4 | A141 A142 F152 E154 | T138-A141 PolarHBondContact O-N 3.08Å; T138-A142 VanDerWaalsContact O-CB 3.25Å; T138-A142 WeakPolarHBondContact O-CB 3.15Å; T138-A142 PolarHBondContact O-N 3.12Å; T138-F152 HydrophobicContact CG2-CE1 3.88Å; T138-F152 HydrophobicContact CG2-CZ 4.24Å; T138-E154 HydrophobicContact CG2-CG 4.44Å; T138-E154 PolarHBondContact OG1-OE1 3.45Å; T138-E154 PolarHBondContact OG1-OE2 2.68Å |
| 139 | E | 98.6 | Very high | 98.2 | Very high | 160 Ų | 160 | 79.1 Ų | 79.1 | 75% | 0.748 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.8 | -44.7 | 177.5 | -174.6 | -175.6 | 173.8 | 0 | 0 | 112.1 | T137 A141 A142 K143 | T137-E139 PolarHBondContact O-N 3.31Å; E139-A141 PolarHBondContact O-N 2.71Å; E139-A142 PolarHBondContact O-N 3.02Å; E139-K143 VanDerWaalsContact O-CB 3.32Å; E139-K143 WeakPolarHBondContact O-CB 3.29Å; E139-K143 PolarHBondContact O-N 2.77Å |
| 140 | E | 98.4 | Very high | 98.2 | Very high | 73 Ų | 73 | 77.8 Ų | 77.8 | 34% | 0.341 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 179.9 | -174.6 | -178.7 | -179.6 | 0 | 0 | 111.9 | R98 F101 T137 K143 K144 | R98-E140 IonicContact CZ-OE1 3.07Å; R98-E140 IonicContact CZ-OE2 3.7Å; R98-E140 IonicContact NH1-OE1 2.67Å; R98-E140 PolarHBondContact NH1-OE1 3.32Å; R98-E140 IonicContact NH1-OE2 3.4Å; R98-E140 PolarHBondContact NH1-OE2 2.9Å; R98-E140 IonicContact NH2-OE1 2.81Å; R98-E140 IonicContact NH2-OE2 2.97Å; R98-E140 PolarHBondContact NH2-OE2 2.87Å; F101-E140 HydrophobicContact CE1-CG 4.02Å; F101-E140 HydrophobicContact CZ-CG 4.17Å; T137-E140 PolarHBondContact O-N 3.3Å; T137-E140 WeakPolarHBondContact OG1-CB 3.49Å; T137-E140 PolarHBondContact OG1-N 3.04Å; E140-K143 PolarHBondContact O-N 3.18Å; E140-K144 PolarHBondContact O-N 3.29Å |
| 141 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.6 | -41.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y93 F101 V136 T137 T138 E139 K143 K144 A145 F152 | Y93-A141 HydrophobicContact CE1-CB 4.22Å; Y93-A141 WeakPolarHBondContact OH-CB 3.42Å; F101-A141 HydrophobicContact CE2-CB 3.73Å; F101-A141 HydrophobicContact CZ-CB 4.22Å; V136-A141 HydrophobicContact CG1-CB 4.38Å; T137-A141 PolarHBondContact O-N 2.9Å; T137-A141 VanDerWaalsContact O-N 3.15Å; T138-A141 PolarHBondContact O-N 3.08Å; E139-A141 PolarHBondContact O-N 2.71Å; A141-K143 VanDerWaalsContact C-N 3.34Å; A141-K143 PolarHBondContact O-N 2.73Å; A141-K144 PolarHBondContact O-N 2.55Å; A141-A145 PolarHBondContact O-N 3.25Å; A141-F152 HydrophobicContact CB-CD2 4.48Å; A141-F152 HydrophobicContact CB-CE1 4.46Å; A141-F152 HydrophobicContact CB-CE2 3.57Å; A141-F152 HydrophobicContact CB-CZ 3.55Å |
| 142 | A | 98.7 | Very high | 98.2 | Very high | 38 Ų | 38 | 75.9 Ų | 75.9 | 31% | 0.314 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.5 | -44 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T138 E139 K144 A145 E146 F152 | T138-A142 VanDerWaalsContact O-CB 3.25Å; T138-A142 WeakPolarHBondContact O-CB 3.15Å; T138-A142 PolarHBondContact O-N 3.12Å; E139-A142 PolarHBondContact O-N 3.02Å; A142-K144 VanDerWaalsContact C-N 3.33Å; A142-K144 PolarHBondContact O-N 3.24Å; A142-A145 PolarHBondContact O-N 2.9Å; A142-E146 WeakPolarHBondContact O-CB 3.5Å; A142-E146 PolarHBondContact O-N 2.76Å; A142-F152 HydrophobicContact CB-CD1 3.85Å; A142-F152 HydrophobicContact CB-CE1 3.88Å |
| 143 | K | 98.7 | Very high | 98.2 | Very high | 149 Ų | 149 | 69.6 Ų | 69.6 | 65% | 0.648 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.3 | -38.4 | 176.3 | -173.5 | 176.8 | -176.4 | 175.1 | 0 | 112.4 | E139 E140 A141 K147 | E139-K143 VanDerWaalsContact O-CB 3.32Å; E139-K143 WeakPolarHBondContact O-CB 3.29Å; E139-K143 PolarHBondContact O-N 2.77Å; E140-K143 PolarHBondContact O-N 3.18Å; A141-K143 VanDerWaalsContact C-N 3.34Å; A141-K143 PolarHBondContact O-N 2.73Å; K143-K147 VanDerWaalsContact O-CB 3.26Å; K143-K147 WeakPolarHBondContact O-CB 3.26Å; K143-K147 PolarHBondContact O-N 3.2Å |
| 144 | K | 98.5 | Very high | 98.3 | Very high | 33 Ų | 33 | 64.7 Ų | 64.7 | 14% | 0.143 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.2 | -48.2 | 172.7 | 179.1 | -175.5 | -72.1 | -71.4 | 0 | 110.6 | F101 D105 L123 E140 A141 A142 E146 K147 E148 | F101-K144 HydrophobicContact CD2-CD 4.45Å; F101-K144 HydrophobicContact CE1-CD 4.41Å; F101-K144 HydrophobicContact CE2-CB 4.37Å; F101-K144 HydrophobicContact CE2-CD 3.68Å; F101-K144 HydrophobicContact CZ-CB 3.95Å; F101-K144 HydrophobicContact CZ-CD 3.68Å; F101-K144 HydrophobicContact CZ-CG 4.43Å; D105-K144 IonicContact OD1-NZ 2.72Å; D105-K144 PolarHBondContact OD1-NZ 3.24Å; D105-K144 IonicContact OD2-NZ 3Å; D105-K144 PolarHBondContact OD2-NZ 3.32Å; L123-K144 HydrophobicContact CD2-CB 4.47Å; L123-K144 HydrophobicContact CD2-CD 4.05Å; L123-K144 HydrophobicContact CD2-CG 4.33Å; E140-K144 PolarHBondContact O-N 3.29Å; A141-K144 PolarHBondContact O-N 2.55Å; A142-K144 VanDerWaalsContact C-N 3.33Å; A142-K144 PolarHBondContact O-N 3.24Å; K144-E146 PolarHBondContact O-N 3.12Å; K144-K147 PolarHBondContact O-N 3.33Å; K144-E148 HydrophobicContact CG-CG 4.37Å; K144-E148 WeakPolarHBondContact O-CB 3.11Å; K144-E148 WeakPolarHBondContact O-CG 3.28Å; K144-E148 PolarHBondContact O-N 3.05Å |
| 145 | A | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 62.7 Ų | 62.7 | 2% | 0.017 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L123 A141 A142 E148 N149 L150 F152 | L123-A145 HydrophobicContact CD2-CB 4.22Å; A141-A145 PolarHBondContact O-N 3.25Å; A142-A145 PolarHBondContact O-N 2.9Å; A145-E148 CarbonylContact O-C 3.57Å; A145-E148 PolarHBondContact O-N 3.25Å; A145-N149 WeakPolarHBondContact O-CA 3.21Å; A145-N149 PolarHBondContact O-N 3.01Å; A145-L150 HydrophobicContact CB-CB 4.18Å; A145-L150 PolarHBondContact O-N 3.23Å; A145-F152 HydrophobicContact CB-CB 3.61Å; A145-F152 HydrophobicContact CB-CG 4.2Å |
| 146 | E | 98.3 | Very high | 98.3 | Very high | 155 Ų | 155 | 59.3 Ų | 59.3 | 72% | 0.724 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -59.9 | -51.2 | 174.8 | -176.7 | -177 | -167.9 | 0 | 0 | 111.3 | A142 K144 E148 N149 | A142-E146 WeakPolarHBondContact O-CB 3.5Å; A142-E146 PolarHBondContact O-N 2.76Å; K144-E146 PolarHBondContact O-N 3.12Å; E146-E148 PolarHBondContact O-N 3.34Å; E146-N149 PolarHBondContact O-N 2.91Å |
| 147 | K | 97.7 | Very high | 98.3 | Very high | 166 Ų | 166 | 59.4 Ų | 59.4 | 72% | 0.722 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -56 | -41.3 | 178 | 178.9 | -168 | 168.3 | -158.6 | 0 | 111.9 | K143 K144 N149 | K143-K147 VanDerWaalsContact O-CB 3.26Å; K143-K147 WeakPolarHBondContact O-CB 3.26Å; K143-K147 PolarHBondContact O-N 3.2Å; K144-K147 PolarHBondContact O-N 3.33Å; K147-N149 VanDerWaalsContact C-N 3.33Å |
| 148 | E | 95.9 | Very high | 98.2 | Very high | 34 Ų | 34 | 61.2 Ų | 61.2 | 16% | 0.159 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 5.5 | -177.3 | -62 | -59.2 | 152.3 | 0 | 0 | 113 | R112 K144 A145 E146 L150 | R112-E148 IonicContact CZ-OE2 2.77Å; R112-E148 IonicContact NH1-OE2 3.6Å; R112-E148 PolarHBondContact NH1-OE2 3.09Å; R112-E148 PolarHBondContact NH2-O 3.34Å; R112-E148 IonicContact NH2-OE2 3.58Å; R112-E148 PolarHBondContact NH2-OE2 2.8Å; K144-E148 HydrophobicContact CG-CG 4.37Å; K144-E148 WeakPolarHBondContact O-CB 3.11Å; K144-E148 WeakPolarHBondContact O-CG 3.28Å; K144-E148 PolarHBondContact O-N 3.05Å; A145-E148 CarbonylContact O-C 3.57Å; A145-E148 PolarHBondContact O-N 3.25Å; E146-E148 PolarHBondContact O-N 3.34Å; E148-L150 HydrophobicContact CB-CD1 3.71Å; E148-L150 HydrophobicContact CB-CD2 4.08Å; E148-L150 HydrophobicContact CB-CG 3.63Å; E148-L150 WeakPolarHBondContact O-CD2 3.23Å; E148-L150 PolarHBondContact O-N 2.89Å |
| 149 | N | 95.9 | Very high | 98.2 | Very high | 150 Ų | 150 | 62.3 Ų | 62.3 | 80% | 0.802 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 53.7 | -177 | -170.6 | 48.8 | 0 | 0 | 0 | 112.9 | A145 E146 K147 | A145-N149 WeakPolarHBondContact O-CA 3.21Å; A145-N149 PolarHBondContact O-N 3.01Å; E146-N149 PolarHBondContact O-N 2.91Å; K147-N149 VanDerWaalsContact C-N 3.33Å |
| 150 | L | 97.8 | Very high | 98.2 | Very high | 19 Ų | 19 | 57.3 Ų | 57.3 | 10% | 0.099 | 28% | 0.28 | C | S | . | . | trans | -114.4 | 152.7 | -179.4 | -42.5 | 176.2 | 0 | 0 | 0 | 109.9 | I108 I121 L123 A145 E148 | I108-L150 HydrophobicContact CD1-CD1 3.56Å; I108-L150 HydrophobicContact CG1-CD1 4.03Å; I108-L150 HydrophobicContact CG2-CD2 4.42Å; I121-L150 HydrophobicContact CB-CD2 3.71Å; I121-L150 HydrophobicContact CD1-CD2 4.22Å; I121-L150 HydrophobicContact CG2-CD2 3.76Å; L123-L150 HydrophobicContact CB-CD1 4.12Å; A145-L150 HydrophobicContact CB-CB 4.18Å; A145-L150 PolarHBondContact O-N 3.23Å; E148-L150 HydrophobicContact CB-CD1 3.71Å; E148-L150 HydrophobicContact CB-CD2 4.08Å; E148-L150 HydrophobicContact CB-CG 3.63Å; E148-L150 WeakPolarHBondContact O-CD2 3.23Å; E148-L150 PolarHBondContact O-N 2.89Å | ||
| 151 | F | 98.3 | Very high | 98.2 | Very high | 63 Ų | 63 | 58.4 Ų | 58.4 | 28% | 0.276 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 147.4 | 163.7 | -59.1 | -81.6 | 0 | 0 | 0 | 109.5 | L120 I121 F122 L123 E173 | L120-F151 HydrophobicContact CB-CE2 4.37Å; L120-F151 HydrophobicContact CD2-CE2 3.9Å; L120-F151 HydrophobicContact CD2-CZ 4.37Å; I121-F151 PolarHBondContact O-N 2.89Å; F122-F151 CarbonylContact C-O 3.56Å; F122-F151 WeakPolarHBondContact CA-O 2.89Å; F122-F151 HydrophobicContact CB-CB 4.45Å; F122-F151 HydrophobicContact CD1-CB 3.32Å; F122-F151 HydrophobicContact CD1-CD2 4.43Å; F122-F151 HydrophobicContact CD1-CG 4.07Å; F122-F151 HydrophobicContact CD2-CB 4.29Å; F122-F151 HydrophobicContact CD2-CD2 4.02Å; F122-F151 HydrophobicContact CD2-CG 4.48Å; F122-F151 HydrophobicContact CE1-CB 3.39Å; F122-F151 HydrophobicContact CE1-CD1 4.34Å; F122-F151 HydrophobicContact CE1-CD2 4.09Å; F122-F151 AromaticContact CE1-CG 3.69Å; F122-F151 HydrophobicContact CE1-CG 3.69Å; F122-F151 HydrophobicContact CE2-CB 4.34Å; F122-F151 AromaticContact CE2-CD2 3.65Å; F122-F151 HydrophobicContact CE2-CD2 3.65Å; F122-F151 HydrophobicContact CE2-CE2 4.26Å; F122-F151 HydrophobicContact CE2-CG 4.13Å; F122-F151 HydrophobicContact CG-CB 3.78Å; F122-F151 HydrophobicContact CG-CD2 4.38Å; F122-F151 HydrophobicContact CG-CG 4.43Å; F122-F151 HydrophobicContact CZ-CB 3.92Å; F122-F151 HydrophobicContact CZ-CD1 4.35Å; F122-F151 AromaticContact CZ-CD2 3.68Å; F122-F151 HydrophobicContact CZ-CD2 3.68Å; F122-F151 HydrophobicContact CZ-CE2 4.31Å; F122-F151 AromaticContact CZ-CG 3.71Å; F122-F151 HydrophobicContact CZ-CG 3.71Å; L123-F151 PolarHBondContact N-O 2.79Å; F151-E173 HydrophobicContact CD1-CG 4.25Å; F151-E173 HydrophobicContact CE1-CG 3.55Å; F151-E173 HydrophobicContact CE2-CG 4.14Å; F151-E173 HydrophobicContact CZ-CB 4.18Å; F151-E173 HydrophobicContact CZ-CG 3.49Å; F151-E173 VanDerWaalsContact CZ-CG 3.49Å |
| 152 | F | 98.7 | Very high | 98.2 | Very high | 50 Ų | 50 | 60.8 Ų | 60.8 | 22% | 0.219 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 128 | -178.1 | 177.2 | -120.7 | 0 | 0 | 0 | 112 | Y93 L123 T138 A141 A142 A145 E154 | Y93-F152 HydrophobicContact CE1-CE2 4.34Å; L123-F152 HydrophobicContact CB-CD2 4.41Å; L123-F152 HydrophobicContact CD2-CD2 4.41Å; L123-F152 HydrophobicContact CG-CD2 4.38Å; L123-F152 WeakPolarHBondContact O-CA 3.33Å; L123-F152 WeakPolarHBondContact O-CD2 2.91Å; T138-F152 HydrophobicContact CG2-CE1 3.88Å; T138-F152 HydrophobicContact CG2-CZ 4.24Å; A141-F152 HydrophobicContact CB-CD2 4.48Å; A141-F152 HydrophobicContact CB-CE1 4.46Å; A141-F152 HydrophobicContact CB-CE2 3.57Å; A141-F152 HydrophobicContact CB-CZ 3.55Å; A142-F152 HydrophobicContact CB-CD1 3.85Å; A142-F152 HydrophobicContact CB-CE1 3.88Å; A145-F152 HydrophobicContact CB-CB 3.61Å; A145-F152 HydrophobicContact CB-CG 4.2Å; F152-E154 HydrophobicContact CE1-CG 4.21Å; F152-E154 HydrophobicContact CE2-CG 4.08Å; F152-E154 HydrophobicContact CZ-CG 3.5Å; F152-E154 VanDerWaalsContact CZ-CG 3.5Å |
| 153 | V | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 140.2 | 175.3 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | L123 V124 G125 T155 Q162 L166 E169 | L123-V153 PolarHBondContact O-N 3.35Å; V124-V153 VanDerWaalsContact CA-O 3.26Å; V124-V153 WeakPolarHBondContact CA-O 3.15Å; G125-V153 PolarHBondContact N-O 3.21Å; V153-T155 HydrophobicContact CG1-CG2 4.02Å; V153-Q162 HydrophobicContact CG1-CB 4.17Å; V153-L166 HydrophobicContact CB-CD1 4.26Å; V153-L166 HydrophobicContact CG1-CB 4.26Å; V153-L166 HydrophobicContact CG2-CD1 4.14Å; V153-E169 WeakPolarHBondContact CG2-OE2 3.24Å |
| 154 | E | 98.8 | Very high | 98.1 | Very high | 19 Ų | 19 | 55.8 Ų | 55.8 | 9% | 0.089 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 137.1 | 166.1 | -69 | -161.9 | 147.8 | 0 | 0 | 110.5 | G125 V128 R134 T138 F152 Q162 | G125-E154 CarbonylContact O-C 3.59Å; G125-E154 WeakPolarHBondContact O-CA 3.07Å; V128-E154 HydrophobicContact CG1-CB 3.76Å; V128-E154 HydrophobicContact CG1-CG 4.32Å; R134-E154 IonicContact CZ-OE1 2.7Å; R134-E154 IonicContact CZ-OE2 3.68Å; R134-E154 IonicContact NH1-OE1 2.74Å; R134-E154 PolarHBondContact NH1-OE1 2.84Å; R134-E154 IonicContact NH1-OE2 3.21Å; R134-E154 IonicContact NH2-OE1 3.75Å; R134-E154 IonicContact NH2-OE2 3.54Å; R134-E154 PolarHBondContact NH2-OE2 3.11Å; T138-E154 HydrophobicContact CG2-CG 4.44Å; T138-E154 PolarHBondContact OG1-OE1 3.45Å; T138-E154 PolarHBondContact OG1-OE2 2.68Å; F152-E154 HydrophobicContact CE1-CG 4.21Å; F152-E154 HydrophobicContact CE2-CG 4.08Å; F152-E154 HydrophobicContact CZ-CG 3.5Å; F152-E154 VanDerWaalsContact CZ-CG 3.5Å; E154-Q162 VanDerWaalsContact O-CB 3.27Å; E154-Q162 WeakPolarHBondContact O-CB 3.27Å; E154-Q162 PolarHBondContact O-NE2 2.85Å |
| 155 | T | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 159.8 | -175.1 | 63.2 | 0 | 0 | 0 | 0 | 112.4 | V124 G125 N126 K127 V128 V153 F161 Q162 I163 L166 | V124-T155 HydrophobicContact CG1-CG2 3.86Å; V124-T155 WeakPolarHBondContact CG1-OG1 3.22Å; G125-T155 PolarHBondContact O-N 3.45Å; N126-T155 CarbonylContact C-O 3.56Å; N126-T155 VanDerWaalsContact CA-O 3.29Å; N126-T155 WeakPolarHBondContact CA-O 3.26Å; N126-T155 PolarHBondContact OD1-O 3.32Å; N126-T155 PolarHBondContact OD1-OG1 2.96Å; K127-T155 PolarHBondContact N-O 3.44Å; V128-T155 PolarHBondContact N-O 2.65Å; V153-T155 HydrophobicContact CG1-CG2 4.02Å; T155-F161 CarbonylContact C-O 3.57Å; T155-F161 VanDerWaalsContact CA-O 3.23Å; T155-F161 WeakPolarHBondContact CA-O 3.29Å; T155-Q162 HydrophobicContact CG2-CB 4.41Å; T155-I163 HydrophobicContact CG2-CD1 4.25Å; T155-L166 HydrophobicContact CG2-CB 4.32Å; T155-L166 HydrophobicContact CG2-CD2 4.2Å |
| 156 | S | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -130.5 | 113.3 | 155.9 | 173.1 | 0 | 0 | 0 | 0 | 109.6 | D129 K158 T159 D160 F161 | D129-S156 VanDerWaalsContact CG-OG 3.32Å; D129-S156 WeakPolarHBondContact OD1-CB 3.42Å; D129-S156 PolarHBondContact OD1-OG 3.49Å; S156-K158 PolarHBondContact O-N 3.42Å; S156-K158 PolarHBondContact OG-N 2.96Å; S156-T159 VanDerWaalsContact CB-OG1 3.24Å; S156-T159 WeakPolarHBondContact CB-OG1 3.44Å; S156-T159 PolarHBondContact O-N 3.25Å; S156-T159 PolarHBondContact OG-N 3.38Å; S156-T159 PolarHBondContact OG-OG1 2.95Å; S156-D160 CarbonylContact O-C 3.59Å; S156-D160 WeakPolarHBondContact O-CA 3.45Å; S156-D160 PolarHBondContact O-N 2.78Å; S156-F161 PolarHBondContact N-O 2.77Å; S156-F161 PolarHBondContact O-N 3.3Å; S156-F161 VanDerWaalsContact O-N 3.1Å |
| 157 | A | 98.5 | Very high | 98 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 2% | 0.017 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -27 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I29 R32 F38 N126 I163 | I29-A157 HydrophobicContact CG1-CB 4.15Å; R32-A157 HydrophobicContact CB-CB 4.41Å; R32-A157 PolarHBondContact NE-O 3.09Å; F38-A157 HydrophobicContact CD2-CB 4.14Å; F38-A157 HydrophobicContact CE2-CB 4.38Å; N126-A157 PolarHBondContact OD1-N 3.34Å; A157-I163 HydrophobicContact CB-CD1 4.48Å |
| 158 | K | 98.3 | Very high | 97.9 | Very high | 108 Ų | 108 | 45.7 Ų | 45.7 | 47% | 0.47 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -48.3 | -179.7 | -174.4 | -169.5 | -176.7 | -178.5 | 0 | 111.5 | R32 F38 D129 S156 | R32-K158 PolarHBondContact NH2-O 2.97Å; F38-K158 HydrophobicContact CD1-CB 4.28Å; F38-K158 HydrophobicContact CD1-CG 3.99Å; F38-K158 HydrophobicContact CD2-CB 4.15Å; F38-K158 HydrophobicContact CE1-CB 4.04Å; F38-K158 HydrophobicContact CE1-CD 4.46Å; F38-K158 HydrophobicContact CE1-CG 3.74Å; F38-K158 HydrophobicContact CE2-CB 3.9Å; F38-K158 HydrophobicContact CG-CB 4.33Å; F38-K158 HydrophobicContact CG-CG 4.49Å; F38-K158 HydrophobicContact CZ-CB 3.84Å; F38-K158 HydrophobicContact CZ-CG 4.03Å; D129-K158 WeakPolarHBondContact OD2-CD 3.3Å; D129-K158 IonicContact OD2-NZ 3.8Å; S156-K158 PolarHBondContact O-N 3.42Å; S156-K158 PolarHBondContact OG-N 2.96Å |
| 159 | T | 98.1 | Very high | 97.9 | Very high | 84 Ų | 84 | 46.2 Ų | 46.2 | 52% | 0.515 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 5.5 | -175.1 | 62.3 | 0 | 0 | 0 | 0 | 114 | D129 S156 F161 | D129-T159 HydrophobicContact CB-CG2 3.74Å; S156-T159 VanDerWaalsContact CB-OG1 3.24Å; S156-T159 WeakPolarHBondContact CB-OG1 3.44Å; S156-T159 PolarHBondContact O-N 3.25Å; S156-T159 PolarHBondContact OG-N 3.38Å; S156-T159 PolarHBondContact OG-OG1 2.95Å; T159-F161 PolarHBondContact O-N 3.25Å |
| 160 | D | 98.4 | Very high | 98 | Very high | 56 Ų | 56 | 39 Ų | 39 | 30% | 0.299 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 17.8 | -173 | -165.6 | 42.6 | 0 | 0 | 0 | 114.3 | R32 S156 Q162 I163 | R32-D160 WeakPolarHBondContact CD-OD1 3.48Å; R32-D160 HydrophobicContact CG-CB 4.43Å; R32-D160 WeakPolarHBondContact CG-OD1 3.48Å; S156-D160 CarbonylContact O-C 3.59Å; S156-D160 WeakPolarHBondContact O-CA 3.45Å; S156-D160 PolarHBondContact O-N 2.78Å; D160-Q162 PolarHBondContact O-N 3.22Å; D160-I163 WeakPolarHBondContact OD1-CB 3.48Å |
| 161 | F | 98.7 | Very high | 97.9 | Very high | 95 Ų | 95 | 38.1 Ų | 38.1 | 42% | 0.417 | 18% | 0.184 | S | C | . | . | B | Isolated β-bridge | trans | -67 | 121.3 | -179.2 | -179.5 | -104.5 | 0 | 0 | 0 | 111.2 | V128 T155 S156 T159 I163 | V128-F161 HydrophobicContact CG2-CD1 3.42Å; V128-F161 VanDerWaalsContact CG2-CD1 3.42Å; V128-F161 HydrophobicContact CG2-CE1 3.81Å; V128-F161 HydrophobicContact CG2-CG 4.26Å; T155-F161 CarbonylContact C-O 3.57Å; T155-F161 VanDerWaalsContact CA-O 3.23Å; T155-F161 WeakPolarHBondContact CA-O 3.29Å; S156-F161 PolarHBondContact N-O 2.77Å; S156-F161 PolarHBondContact O-N 3.3Å; S156-F161 VanDerWaalsContact O-N 3.1Å; T159-F161 PolarHBondContact O-N 3.25Å; F161-I163 PolarHBondContact O-N 2.77Å; F161-I163 VanDerWaalsContact O-N 3.09Å |
| 162 | Q | 98.4 | Very high | 97.7 | Very high | 50 Ų | 50 | 38.3 Ų | 38.3 | 23% | 0.234 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 16.1 | 177.1 | -67.2 | -168.3 | 72.3 | 0 | 0 | 116.1 | V153 E154 T155 D160 K165 L166 | V153-Q162 HydrophobicContact CG1-CB 4.17Å; E154-Q162 VanDerWaalsContact O-CB 3.27Å; E154-Q162 WeakPolarHBondContact O-CB 3.27Å; E154-Q162 PolarHBondContact O-NE2 2.85Å; T155-Q162 HydrophobicContact CG2-CB 4.41Å; D160-Q162 PolarHBondContact O-N 3.22Å; Q162-K165 HydrophobicContact CB-CB 4.32Å; Q162-K165 HydrophobicContact CG-CD 4.26Å; Q162-K165 PolarHBondContact O-N 3.47Å; Q162-K165 VanDerWaalsContact OE1-CD 3.31Å; Q162-L166 PolarHBondContact O-N 2.92Å |
| 163 | I | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.6 | -53.4 | 178.4 | -61.7 | -71.4 | 0 | 0 | 0 | 110.3 | I29 R32 F33 T155 A157 D160 F161 K165 L166 F167 | I29-I163 HydrophobicContact CB-CD1 4.41Å; I29-I163 HydrophobicContact CG1-CD1 4.14Å; I29-I163 HydrophobicContact CG2-CD1 4.08Å; R32-I163 HydrophobicContact CG-CB 4.24Å; R32-I163 HydrophobicContact CG-CD1 4.38Å; R32-I163 HydrophobicContact CG-CG1 3.78Å; R32-I163 HydrophobicContact CG-CG2 4.05Å; F33-I163 HydrophobicContact CB-CG2 3.79Å; F33-I163 HydrophobicContact CD2-CG2 4.44Å; T155-I163 HydrophobicContact CG2-CD1 4.25Å; A157-I163 HydrophobicContact CB-CD1 4.48Å; D160-I163 WeakPolarHBondContact OD1-CB 3.48Å; F161-I163 PolarHBondContact O-N 2.77Å; F161-I163 VanDerWaalsContact O-N 3.09Å; I163-K165 VanDerWaalsContact C-N 3.29Å; I163-K165 PolarHBondContact O-N 2.67Å; I163-L166 WeakPolarHBondContact O-CB 3.24Å; I163-L166 PolarHBondContact O-N 3.47Å; I163-F167 HydrophobicContact CG2-CD2 4.21Å; I163-F167 HydrophobicContact CG2-CE2 4.08Å; I163-F167 VanDerWaalsContact O-CD2 3.26Å; I163-F167 WeakPolarHBondContact O-CD2 3.34Å; I163-F167 PolarHBondContact O-N 2.94Å |
| 164 | N | 96.3 | Very high | 97.3 | Very high | 82 Ų | 82 | 37.8 Ų | 37.8 | 44% | 0.439 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.5 | -41.3 | 177.1 | -68.9 | -46.2 | 0 | 0 | 0 | 111.8 | L166 F167 D168 | N164-L166 VanDerWaalsContact C-N 3.35Å; N164-L166 PolarHBondContact O-N 3.18Å; N164-F167 PolarHBondContact O-N 3.3Å; N164-F167 VanDerWaalsContact O-N 3.14Å; N164-D168 WeakPolarHBondContact O-CB 3.38Å; N164-D168 PolarHBondContact O-N 2.82Å; N164-D168 VanDerWaalsContact O-OD1 3.07Å |
| 165 | K | 96.9 | Very high | 97 | Very high | 100 Ų | 100 | 37.4 Ų | 37.4 | 44% | 0.435 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -57.9 | -43.5 | 176.7 | -178.9 | 178.4 | 161.4 | -161.9 | 0 | 112.7 | Q162 I163 F167 D168 E169 | Q162-K165 HydrophobicContact CB-CB 4.32Å; Q162-K165 HydrophobicContact CG-CD 4.26Å; Q162-K165 PolarHBondContact O-N 3.47Å; Q162-K165 VanDerWaalsContact OE1-CD 3.31Å; I163-K165 VanDerWaalsContact C-N 3.29Å; I163-K165 PolarHBondContact O-N 2.67Å; K165-F167 VanDerWaalsContact C-N 3.34Å; K165-F167 PolarHBondContact O-N 3.42Å; K165-D168 PolarHBondContact O-N 3.22Å; K165-E169 WeakPolarHBondContact CE-OE1 3.43Å; K165-E169 IonicContact NZ-OE1 3.09Å; K165-E169 WeakPolarHBondContact O-CG 3.48Å; K165-E169 PolarHBondContact O-N 2.96Å |
| 166 | L | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.9 | -48.7 | 175.2 | 170.2 | 62.5 | 0 | 0 | 0 | 111.4 | I29 F122 V124 V153 T155 Q162 I163 N164 E169 V170 | I29-L166 HydrophobicContact CG2-CD2 4.19Å; F122-L166 HydrophobicContact CD1-CD1 3.93Å; F122-L166 HydrophobicContact CG-CD1 4.47Å; V124-L166 HydrophobicContact CG1-CD2 4.2Å; V124-L166 HydrophobicContact CG2-CD1 3.64Å; V124-L166 HydrophobicContact CG2-CD2 3.95Å; V124-L166 HydrophobicContact CG2-CG 4.47Å; V153-L166 HydrophobicContact CB-CD1 4.26Å; V153-L166 HydrophobicContact CG1-CB 4.26Å; V153-L166 HydrophobicContact CG2-CD1 4.14Å; T155-L166 HydrophobicContact CG2-CB 4.32Å; T155-L166 HydrophobicContact CG2-CD2 4.2Å; Q162-L166 PolarHBondContact O-N 2.92Å; I163-L166 WeakPolarHBondContact O-CB 3.24Å; I163-L166 PolarHBondContact O-N 3.47Å; N164-L166 VanDerWaalsContact C-N 3.35Å; N164-L166 PolarHBondContact O-N 3.18Å; L166-E169 PolarHBondContact O-N 3.43Å; L166-V170 HydrophobicContact CD1-CG2 4.43Å; L166-V170 VanDerWaalsContact O-CG2 3.29Å; L166-V170 WeakPolarHBondContact O-CG2 3.41Å; L166-V170 PolarHBondContact O-N 2.98Å |
| 167 | F | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -74.2 | -29.9 | -177.9 | -71.2 | -81.9 | 0 | 0 | 0 | 113 | F18 I29 F33 L64 L66 I163 N164 K165 V170 V171 | F18-F167 HydrophobicContact CE1-CZ 4.44Å; F18-F167 AromaticContact CZ-CE1 3.9Å; F18-F167 HydrophobicContact CZ-CE1 3.9Å; F18-F167 AromaticContact CZ-CZ 3.7Å; F18-F167 HydrophobicContact CZ-CZ 3.7Å; I29-F167 HydrophobicContact CG2-CE2 4.03Å; I29-F167 HydrophobicContact CG2-CZ 4.21Å; F33-F167 HydrophobicContact CB-CD2 3.78Å; F33-F167 HydrophobicContact CB-CE2 3.3Å; F33-F167 HydrophobicContact CB-CZ 3.78Å; F33-F167 AromaticContact CD1-CD1 3.83Å; F33-F167 HydrophobicContact CD1-CD1 3.83Å; F33-F167 AromaticContact CD1-CD2 3.87Å; F33-F167 HydrophobicContact CD1-CD2 3.87Å; F33-F167 AromaticContact CD1-CE1 3.66Å; F33-F167 HydrophobicContact CD1-CE1 3.66Å; F33-F167 AromaticContact CD1-CE2 3.75Å; F33-F167 HydrophobicContact CD1-CE2 3.75Å; F33-F167 AromaticContact CD1-CG 3.92Å; F33-F167 HydrophobicContact CD1-CG 3.92Å; F33-F167 AromaticContact CD1-CZ 3.61Å; F33-F167 HydrophobicContact CD1-CZ 3.61Å; F33-F167 HydrophobicContact CD2-CB 4.03Å; F33-F167 HydrophobicContact CD2-CD1 4.38Å; F33-F167 AromaticContact CD2-CD2 3.26Å; F33-F167 HydrophobicContact CD2-CD2 3.26Å; F33-F167 AromaticContact CD2-CE2 3.76Å; F33-F167 HydrophobicContact CD2-CE2 3.76Å; F33-F167 AromaticContact CD2-CG 3.63Å; F33-F167 HydrophobicContact CD2-CG 3.63Å; F33-F167 HydrophobicContact CD2-CZ 4.45Å; F33-F167 HydrophobicContact CE1-CB 4.42Å; F33-F167 AromaticContact CE1-CD1 3.68Å; F33-F167 HydrophobicContact CE1-CD1 3.68Å; F33-F167 HydrophobicContact CE1-CD2 4.27Å; F33-F167 AromaticContact CE1-CE1 3.91Å; F33-F167 HydrophobicContact CE1-CE1 3.91Å; F33-F167 AromaticContact CE1-CG 3.86Å; F33-F167 HydrophobicContact CE1-CG 3.86Å; F33-F167 HydrophobicContact CE1-CZ 4.32Å; F33-F167 HydrophobicContact CE2-CB 3.55Å; F33-F167 HydrophobicContact CE2-CD1 4.27Å; F33-F167 AromaticContact CE2-CD2 3.73Å; F33-F167 HydrophobicContact CE2-CD2 3.73Å; F33-F167 AromaticContact CE2-CG 3.58Å; F33-F167 HydrophobicContact CE2-CG 3.58Å; F33-F167 HydrophobicContact CG-CD1 4.17Å; F33-F167 AromaticContact CG-CD2 3.33Å; F33-F167 HydrophobicContact CG-CD2 3.33Å; F33-F167 HydrophobicContact CG-CE1 4.1Å; F33-F167 AromaticContact CG-CE2 3.3Å; F33-F167 HydrophobicContact CG-CE2 3.3Å; F33-F167 AromaticContact CG-CG 3.79Å; F33-F167 HydrophobicContact CG-CG 3.79Å; F33-F167 AromaticContact CG-CZ 3.68Å; F33-F167 HydrophobicContact CG-CZ 3.68Å; F33-F167 HydrophobicContact CZ-CB 3.77Å; F33-F167 AromaticContact CZ-CD1 3.92Å; F33-F167 HydrophobicContact CZ-CD1 3.92Å; F33-F167 HydrophobicContact CZ-CD2 4.2Å; F33-F167 AromaticContact CZ-CG 3.69Å; F33-F167 HydrophobicContact CZ-CG 3.69Å; L64-F167 HydrophobicContact CD1-CD1 4.18Å; L66-F167 HydrophobicContact CD1-CE1 4.05Å; L66-F167 HydrophobicContact CD1-CZ 4.41Å; L66-F167 HydrophobicContact CD2-CE1 4.09Å; I163-F167 HydrophobicContact CG2-CD2 4.21Å; I163-F167 HydrophobicContact CG2-CE2 4.08Å; I163-F167 VanDerWaalsContact O-CD2 3.26Å; I163-F167 WeakPolarHBondContact O-CD2 3.34Å; I163-F167 PolarHBondContact O-N 2.94Å; N164-F167 PolarHBondContact O-N 3.3Å; N164-F167 VanDerWaalsContact O-N 3.14Å; K165-F167 VanDerWaalsContact C-N 3.34Å; K165-F167 PolarHBondContact O-N 3.42Å; F167-V170 PolarHBondContact O-N 2.87Å; F167-V171 WeakPolarHBondContact O-CB 3.44Å; F167-V171 WeakPolarHBondContact O-CG2 3.47Å; F167-V171 PolarHBondContact O-N 2.81Å |
| 168 | D | 95.3 | Very high | 95.8 | Very high | 45 Ų | 45 | 46.5 Ų | 46.5 | 24% | 0.241 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.9 | -47 | 171.8 | -70.9 | 8.5 | 0 | 0 | 0 | 110.4 | N164 K165 V171 M172 W200 | N164-D168 WeakPolarHBondContact O-CB 3.38Å; N164-D168 PolarHBondContact O-N 2.82Å; N164-D168 VanDerWaalsContact O-OD1 3.07Å; K165-D168 PolarHBondContact O-N 3.22Å; D168-V171 PolarHBondContact O-N 3.44Å; D168-M172 WeakPolarHBondContact O-CB 3.47Å; D168-M172 VanDerWaalsContact O-CG 3.3Å; D168-M172 WeakPolarHBondContact O-CG 3.44Å; D168-M172 PolarHBondContact O-N 2.69Å; D168-W200 HydrophobicContact CB-CZ2 4.08Å; D168-W200 WeakPolarHBondContact OD1-CZ2 3.41Å; D168-W200 PolarHBondContact OD2-NE1 3.25Å |
| 169 | E | 97 | Very high | 95.2 | Very high | 44 Ų | 44 | 44.1 Ų | 44.1 | 21% | 0.206 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 175.5 | -72 | -177.6 | -156.4 | 0 | 0 | 111.8 | F122 V153 K165 L166 V171 M172 E173 | F122-E169 HydrophobicContact CE1-CB 3.96Å; V153-E169 WeakPolarHBondContact CG2-OE2 3.24Å; K165-E169 WeakPolarHBondContact CE-OE1 3.43Å; K165-E169 IonicContact NZ-OE1 3.09Å; K165-E169 WeakPolarHBondContact O-CG 3.48Å; K165-E169 PolarHBondContact O-N 2.96Å; L166-E169 PolarHBondContact O-N 3.43Å; E169-V171 VanDerWaalsContact C-N 3.33Å; E169-V171 PolarHBondContact O-N 3.23Å; E169-M172 HydrophobicContact CB-CE 4.41Å; E169-M172 HydrophobicContact CG-CE 3.96Å; E169-M172 PolarHBondContact O-N 2.82Å; E169-E173 WeakPolarHBondContact O-CG 3.39Å; E169-E173 PolarHBondContact O-N 2.97Å |
| 170 | V | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.6 | -47.9 | 174 | 165.9 | 0 | 0 | 0 | 0 | 111.4 | V88 I90 F122 L166 F167 E173 I174 | V88-V170 HydrophobicContact CG1-CG1 4.08Å; V88-V170 HydrophobicContact CG1-CG2 4.3Å; V88-V170 HydrophobicContact CG2-CG1 4.19Å; I90-V170 HydrophobicContact CD1-CG2 4.09Å; F122-V170 HydrophobicContact CD1-CG2 4.18Å; F122-V170 HydrophobicContact CD2-CG2 3.97Å; F122-V170 HydrophobicContact CE1-CG2 3.94Å; F122-V170 HydrophobicContact CE2-CB 4.46Å; F122-V170 HydrophobicContact CE2-CG2 3.71Å; F122-V170 HydrophobicContact CG-CG2 4.23Å; F122-V170 HydrophobicContact CZ-CB 4.32Å; F122-V170 HydrophobicContact CZ-CG2 3.7Å; L166-V170 HydrophobicContact CD1-CG2 4.43Å; L166-V170 VanDerWaalsContact O-CG2 3.29Å; L166-V170 WeakPolarHBondContact O-CG2 3.41Å; L166-V170 PolarHBondContact O-N 2.98Å; F167-V170 PolarHBondContact O-N 2.87Å; V170-E173 PolarHBondContact O-N 3.49Å; V170-I174 HydrophobicContact CG1-CD1 3.75Å; V170-I174 WeakPolarHBondContact O-CD1 3.45Å; V170-I174 WeakPolarHBondContact O-CG1 3.18Å; V170-I174 PolarHBondContact O-N 3.33Å |
| 171 | V | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.6 | -45.5 | 179.7 | 163.7 | 0 | 0 | 0 | 0 | 111.6 | L55 F57 I62 L64 F167 D168 E169 E173 I174 V175 W200 | L55-V171 HydrophobicContact CD1-CG2 3.57Å; F57-V171 HydrophobicContact CB-CG1 3.59Å; F57-V171 HydrophobicContact CD1-CG1 4.33Å; F57-V171 HydrophobicContact CD2-CG1 3.93Å; F57-V171 HydrophobicContact CG-CG1 3.69Å; I62-V171 HydrophobicContact CD1-CG1 3.63Å; L64-V171 HydrophobicContact CD1-CG2 4.02Å; L64-V171 HydrophobicContact CG-CG2 4.47Å; F167-V171 WeakPolarHBondContact O-CB 3.44Å; F167-V171 WeakPolarHBondContact O-CG2 3.47Å; F167-V171 PolarHBondContact O-N 2.81Å; D168-V171 PolarHBondContact O-N 3.44Å; E169-V171 VanDerWaalsContact C-N 3.33Å; E169-V171 PolarHBondContact O-N 3.23Å; V171-E173 VanDerWaalsContact C-N 3.32Å; V171-E173 PolarHBondContact O-N 3.19Å; V171-I174 PolarHBondContact O-N 3.32Å; V171-V175 WeakPolarHBondContact O-CG2 3.44Å; V171-V175 PolarHBondContact O-N 3.27Å; V171-W200 HydrophobicContact CB-CH2 4.37Å; V171-W200 HydrophobicContact CG1-CH2 4.25Å; V171-W200 HydrophobicContact CG2-CH2 4.3Å |
| 172 | M | 94.4 | Very high | 92.7 | Very high | 67 Ų | 67 | 46 Ų | 46 | 33% | 0.33 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.2 | -45.2 | 178 | -75.4 | -171.6 | -68.1 | 0 | 0 | 111.4 | F57 D168 E169 V175 K176 | F57-M172 HydrophobicContact CE1-CG 4.49Å; F57-M172 HydrophobicContact CE2-CG 3.78Å; F57-M172 HydrophobicContact CZ-CG 3.65Å; F57-M172 HydrophobicContact CZ-SD 4.48Å; D168-M172 WeakPolarHBondContact O-CB 3.47Å; D168-M172 VanDerWaalsContact O-CG 3.3Å; D168-M172 WeakPolarHBondContact O-CG 3.44Å; D168-M172 PolarHBondContact O-N 2.69Å; E169-M172 HydrophobicContact CB-CE 4.41Å; E169-M172 HydrophobicContact CG-CE 3.96Å; E169-M172 PolarHBondContact O-N 2.82Å; M172-V175 PolarHBondContact O-N 2.9Å; M172-K176 VanDerWaalsContact O-CG 3.32Å; M172-K176 WeakPolarHBondContact O-CG 3.37Å; M172-K176 PolarHBondContact O-N 3.22Å |
| 173 | E | 95.2 | Very high | 91.3 | Very high | 35 Ų | 35 | 46.7 Ų | 46.7 | 16% | 0.164 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.6 | -33.4 | -178.9 | -65 | -54.3 | 136.3 | 0 | 0 | 113 | L120 F122 F151 E169 V170 V171 V175 K176 S177 | L120-E173 HydrophobicContact CD1-CB 3.76Å; L120-E173 HydrophobicContact CD2-CB 4.31Å; F122-E173 HydrophobicContact CZ-CB 4.45Å; F122-E173 HydrophobicContact CZ-CG 4.25Å; F151-E173 HydrophobicContact CD1-CG 4.25Å; F151-E173 HydrophobicContact CE1-CG 3.55Å; F151-E173 HydrophobicContact CE2-CG 4.14Å; F151-E173 HydrophobicContact CZ-CB 4.18Å; F151-E173 HydrophobicContact CZ-CG 3.49Å; F151-E173 VanDerWaalsContact CZ-CG 3.49Å; E169-E173 WeakPolarHBondContact O-CG 3.39Å; E169-E173 PolarHBondContact O-N 2.97Å; V170-E173 PolarHBondContact O-N 3.49Å; V171-E173 VanDerWaalsContact C-N 3.32Å; V171-E173 PolarHBondContact O-N 3.19Å; E173-V175 VanDerWaalsContact C-N 3.35Å; E173-K176 WeakPolarHBondContact OE1-CD 3.33Å; E173-K176 IonicContact OE1-NZ 3.61Å; E173-K176 PolarHBondContact OE1-NZ 3.03Å; E173-S177 VanDerWaalsContact O-CB 3.31Å; E173-S177 WeakPolarHBondContact O-CB 3.24Å; E173-S177 PolarHBondContact O-N 3.09Å; E173-S177 PolarHBondContact O-OG 3.1Å |
| 174 | I | 94.1 | Very high | 89.5 | Confident | 7 Ų | 7 | 53.1 Ų | 53.1 | 4% | 0.036 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.4 | -47.8 | 169.1 | -70.5 | 160.2 | 0 | 0 | 0 | 110 | S14 L64 V88 L120 V170 V171 S177 I178 | S14-I174 VanDerWaalsContact OG-CD1 3.22Å; S14-I174 WeakPolarHBondContact OG-CD1 3.3Å; L64-I174 HydrophobicContact CD2-CD1 3.57Å; V88-I174 HydrophobicContact CG2-CD1 3.82Å; V88-I174 HydrophobicContact CG2-CG1 3.72Å; L120-I174 HydrophobicContact CD1-CG1 4.17Å; V170-I174 HydrophobicContact CG1-CD1 3.75Å; V170-I174 WeakPolarHBondContact O-CD1 3.45Å; V170-I174 WeakPolarHBondContact O-CG1 3.18Å; V170-I174 PolarHBondContact O-N 3.33Å; V171-I174 PolarHBondContact O-N 3.32Å; I174-S177 PolarHBondContact O-N 3.47Å; I174-I178 HydrophobicContact CG2-CD1 3.82Å; I174-I178 VanDerWaalsContact O-CG1 3.3Å; I174-I178 WeakPolarHBondContact O-CG1 3.4Å; I174-I178 PolarHBondContact O-N 2.97Å; I174-I178 VanDerWaalsContact O-N 3.07Å |
| 175 | V | 92.3 | Very high | 87.7 | Confident | 10 Ų | 10 | 56.4 Ų | 56.4 | 6% | 0.061 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.4 | -44.3 | -178.2 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | F57 K60 I62 V171 M172 E173 S177 I178 N179 | F57-V175 HydrophobicContact CD1-CG2 3.99Å; K60-V175 HydrophobicContact CD-CG1 4.39Å; I62-V175 HydrophobicContact CD1-CG2 3.46Å; I62-V175 VanDerWaalsContact CD1-CG2 3.46Å; V171-V175 WeakPolarHBondContact O-CG2 3.44Å; V171-V175 PolarHBondContact O-N 3.27Å; M172-V175 PolarHBondContact O-N 2.9Å; E173-V175 VanDerWaalsContact C-N 3.35Å; V175-S177 PolarHBondContact O-N 2.97Å; V175-I178 PolarHBondContact O-N 3.19Å; V175-N179 PolarHBondContact O-N 3.07Å |
| 176 | K | 91.8 | Very high | 85.5 | Confident | 103 Ų | 103 | 58.3 Ų | 58.3 | 45% | 0.448 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.3 | -47.1 | 175 | -72.5 | 172.5 | -173 | 173.1 | 0 | 111.3 | M172 E173 I178 N179 N180 | M172-K176 VanDerWaalsContact O-CG 3.32Å; M172-K176 WeakPolarHBondContact O-CG 3.37Å; M172-K176 PolarHBondContact O-N 3.22Å; E173-K176 WeakPolarHBondContact OE1-CD 3.33Å; E173-K176 IonicContact OE1-NZ 3.61Å; E173-K176 PolarHBondContact OE1-NZ 3.03Å; K176-I178 VanDerWaalsContact C-N 3.29Å; K176-I178 PolarHBondContact O-N 3.24Å; K176-N179 PolarHBondContact O-N 3.13Å; K176-N180 WeakPolarHBondContact O-CB 3.34Å; K176-N180 PolarHBondContact O-N 3.38Å; K176-N180 PolarHBondContact O-OD1 2.96Å |
| 177 | S | 90.7 | Very high | 82.8 | Confident | 45 Ų | 45 | 62.1 Ų | 62.1 | 32% | 0.315 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.3 | -38.5 | 179.2 | -61.4 | 0 | 0 | 0 | 0 | 112.6 | E173 I174 V175 S181 | E173-S177 VanDerWaalsContact O-CB 3.31Å; E173-S177 WeakPolarHBondContact O-CB 3.24Å; E173-S177 PolarHBondContact O-N 3.09Å; E173-S177 PolarHBondContact O-OG 3.1Å; I174-S177 PolarHBondContact O-N 3.47Å; V175-S177 PolarHBondContact O-N 2.97Å; S177-S181 WeakPolarHBondContact O-CB 3.31Å; S177-S181 PolarHBondContact O-N 3.09Å; S177-S181 VanDerWaalsContact O-N 3.15Å; S177-S181 PolarHBondContact O-OG 3.4Å |
| 178 | I | 87.4 | Confident | 80.4 | Confident | 46 Ų | 46 | 69.4 Ų | 69.4 | 24% | 0.236 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.5 | -44.2 | 176.5 | -68.3 | 167.4 | 0 | 0 | 0 | 111.2 | I12 I174 V175 K176 S181 K182 | I12-I178 HydrophobicContact CD1-CD1 3.96Å; I12-I178 HydrophobicContact CG1-CD1 4.46Å; I12-I178 HydrophobicContact CG2-CD1 3.5Å; I12-I178 VanDerWaalsContact CG2-CD1 3.5Å; I174-I178 HydrophobicContact CG2-CD1 3.82Å; I174-I178 VanDerWaalsContact O-CG1 3.3Å; I174-I178 WeakPolarHBondContact O-CG1 3.4Å; I174-I178 PolarHBondContact O-N 2.97Å; I174-I178 VanDerWaalsContact O-N 3.07Å; V175-I178 PolarHBondContact O-N 3.19Å; K176-I178 VanDerWaalsContact C-N 3.29Å; K176-I178 PolarHBondContact O-N 3.24Å; I178-S181 PolarHBondContact O-N 3.3Å; I178-K182 PolarHBondContact O-N 3.31Å; I178-K182 VanDerWaalsContact O-N 3.09Å |
| 179 | N | 86.9 | Confident | 77.5 | Confident | 57 Ų | 57 | 73.6 Ų | 73.6 | 31% | 0.305 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 179.2 | -72.6 | -7.2 | 0 | 0 | 0 | 111.2 | K60 V175 K176 S181 K182 E183 | K60-N179 PolarHBondContact NZ-OD1 2.81Å; V175-N179 PolarHBondContact O-N 3.07Å; K176-N179 PolarHBondContact O-N 3.13Å; N179-S181 PolarHBondContact O-N 3.42Å; N179-K182 PolarHBondContact O-N 2.92Å; N179-E183 PolarHBondContact O-N 3.22Å |
| 180 | N | 85.8 | Confident | 74.6 | Confident | 86 Ų | 86 | 78.9 Ų | 78.9 | 46% | 0.46 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.5 | -34.3 | 176.2 | -65.1 | -8.3 | 0 | 0 | 0 | 112 | K176 N184 | K176-N180 WeakPolarHBondContact O-CB 3.34Å; K176-N180 PolarHBondContact O-N 3.38Å; K176-N180 PolarHBondContact O-OD1 2.96Å; N180-N184 WeakPolarHBondContact O-CB 3.49Å; N180-N184 VanDerWaalsContact O-CG 3.27Å; N180-N184 PolarHBondContact O-N 3.28Å; N180-N184 PolarHBondContact O-ND2 2.89Å |
| 181 | S | 80.9 | Confident | 71.7 | Confident | 69 Ų | 69 | 87.2 Ų | 87.2 | 48% | 0.483 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.3 | -38.9 | 175.7 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | S177 I178 N179 E185 | S177-S181 WeakPolarHBondContact O-CB 3.31Å; S177-S181 PolarHBondContact O-N 3.09Å; S177-S181 VanDerWaalsContact O-N 3.15Å; S177-S181 PolarHBondContact O-OG 3.4Å; I178-S181 PolarHBondContact O-N 3.3Å; N179-S181 PolarHBondContact O-N 3.42Å; S181-E185 WeakPolarHBondContact O-CG 3.32Å; S181-E185 PolarHBondContact O-N 2.7Å |
| 182 | K | 76 | Confident | 68.8 | Low | 120 Ų | 120 | 96.3 Ų | 96.3 | 52% | 0.522 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.9 | -39.2 | 175.7 | -69.7 | -173.9 | 178.3 | -168.6 | 0 | 112.6 | I178 N179 E185 H186 | I178-K182 PolarHBondContact O-N 3.31Å; I178-K182 VanDerWaalsContact O-N 3.09Å; N179-K182 PolarHBondContact O-N 2.92Å; K182-E185 WeakPolarHBondContact O-CB 3.5Å; K182-E185 PolarHBondContact O-N 2.95Å; K182-H186 WeakPolarHBondContact O-CB 3.02Å; K182-H186 PolarHBondContact O-N 3.19Å |
| 183 | E | 67.6 | Low | 65.9 | Low | 64 Ų | 64 | 98.9 Ų | 98.9 | 30% | 0.299 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 174.5 | -76.6 | 169.3 | -147.6 | 0 | 0 | 110.6 | N179 E185 H186 S187 L193 | N179-E183 PolarHBondContact O-N 3.22Å; E183-E185 PolarHBondContact O-N 2.93Å; E183-E185 VanDerWaalsContact O-N 3.17Å; E183-H186 CarbonylContact O-C 3.48Å; E183-H186 PolarHBondContact O-N 3.23Å; E183-S187 VanDerWaalsContact O-CB 3.24Å; E183-S187 WeakPolarHBondContact O-CB 3.47Å; E183-S187 PolarHBondContact O-N 2.59Å; E183-S187 PolarHBondContact O-OG 3.28Å; E183-L193 WeakPolarHBondContact OE1-CD2 3.36Å |
| 184 | N | 61.3 | Low | 63.1 | Low | 135 Ų | 135 | 104.7 Ų | 104.7 | 72% | 0.722 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.6 | -25.4 | 174.9 | -72.1 | -39 | 0 | 0 | 0 | 113.7 | N180 | N180-N184 WeakPolarHBondContact O-CB 3.49Å; N180-N184 VanDerWaalsContact O-CG 3.27Å; N180-N184 PolarHBondContact O-N 3.28Å; N180-N184 PolarHBondContact O-ND2 2.89Å |
| 185 | E | 58 | Low | 60.4 | Low | 151 Ų | 151 | 113.5 Ų | 113.5 | 71% | 0.706 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -79.6 | -33.5 | 170.5 | -69.9 | 174.6 | 178.2 | 0 | 0 | 112.6 | S181 K182 E183 | S181-E185 WeakPolarHBondContact O-CG 3.32Å; S181-E185 PolarHBondContact O-N 2.7Å; K182-E185 WeakPolarHBondContact O-CB 3.5Å; K182-E185 PolarHBondContact O-N 2.95Å; E183-E185 PolarHBondContact O-N 2.93Å; E183-E185 VanDerWaalsContact O-N 3.17Å |
| 186 | H | 51 | Low | 57.8 | Low | 140 Ų | 140 | 119.7 Ų | 119.7 | 65% | 0.648 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -96.4 | -18.3 | -175.2 | -91 | 63.1 | 0 | 0 | 0 | 115.5 | K182 E183 N188 N189 | K182-H186 WeakPolarHBondContact O-CB 3.02Å; K182-H186 PolarHBondContact O-N 3.19Å; E183-H186 CarbonylContact O-C 3.48Å; E183-H186 PolarHBondContact O-N 3.23Å; H186-N188 CarbonylContact O-C 3.44Å; H186-N188 PolarHBondContact O-N 3.25Å; H186-N189 PolarHBondContact O-N 3.3Å |
| 187 | S | 42.7 | Very low | 55.4 | Low | 81 Ų | 81 | 123 Ų | 123 | 57% | 0.566 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 18.6 | 179.9 | -67 | 0 | 0 | 0 | 0 | 113.7 | E183 | E183-S187 VanDerWaalsContact O-CB 3.24Å; E183-S187 WeakPolarHBondContact O-CB 3.47Å; E183-S187 PolarHBondContact O-N 2.59Å; E183-S187 PolarHBondContact O-OG 3.28Å |
| 188 | N | 46.6 | Very low | 53.1 | Low | 152 Ų | 152 | 122 Ų | 122 | 81% | 0.813 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -2.5 | 143 | -91.8 | -20.5 | 0 | 0 | 0 | 113.8 | H186 | H186-N188 CarbonylContact O-C 3.44Å; H186-N188 PolarHBondContact O-N 3.25Å |
| 189 | N | 35.4 | Very low | 50.7 | Low | 134 Ų | 134 | 130.2 Ų | 130.2 | 72% | 0.717 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -150.8 | 125.8 | 172.3 | -75.9 | -47.9 | 0 | 0 | 0 | 110.4 | H186 | H186-N189 PolarHBondContact O-N 3.3Š|
| 190 | N | 36.6 | Very low | 48.6 | Very low | 155 Ų | 155 | 131.7 Ų | 131.7 | 83% | 0.829 | 66% | 0.659 | S | S | * | * | trans | -61.3 | 145 | -179 | -60.9 | -46.7 | 0 | 0 | 0 | 112.5 | ||||
| 191 | I | 34.8 | Very low | 46.4 | Very low | 175 Ų | 175 | 135.3 Ų | 135.3 | 90% | 0.897 | 67% | 0.671 | S | S | * | * | trans | -174.7 | 147.6 | 138 | -88 | 145.1 | 0 | 0 | 0 | 110.4 | ||||
| 192 | E | 35 | Very low | 44.3 | Very low | 191 Ų | 191 | 136.8 Ų | 136.8 | 89% | 0.893 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -77 | 151.4 | -168.4 | -150 | 167.9 | -168.2 | 0 | 0 | 114.6 | ||
| 193 | L | 34.2 | Very low | 42.3 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 63% | 0.634 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -100 | 129.6 | -170 | -75.1 | 166.7 | 0 | 0 | 0 | 113.4 | E183 | E183-L193 WeakPolarHBondContact OE1-CD2 3.36Š|
| 194 | D | 36.5 | Very low | 40.9 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 83% | 0.834 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 138.7 | 171.7 | -157.9 | 1.6 | 0 | 0 | 0 | 111.6 | ||
| 195 | K | 36.9 | Very low | 39.7 | Very low | 192 Ų | 192 | 147.7 Ų | 147.7 | 84% | 0.835 | 73% | 0.729 | S | S | * | * | trans | -108.3 | 98.3 | -173.6 | -71.2 | -177.3 | -178.2 | 175.6 | 0 | 109.6 | ||||
| 196 | D | 38.6 | Very low | 38.7 | Very low | 141 Ų | 141 | 147.5 Ų | 147.5 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | trans | -117.4 | 133.6 | 173.1 | -140.1 | -2.4 | 0 | 0 | 0 | 112.1 | G198 | D196-G198 PolarHBondContact O-N 3.18Š| ||
| 197 | H | 40.8 | Very low | 38.1 | Very low | 173 Ų | 173 | 147.9 Ų | 147.9 | 80% | 0.801 | 73% | 0.734 | S | S | * | * | trans | -84 | 111.1 | -174.6 | -76.2 | -45.4 | 0 | 0 | 0 | 110.8 | ||||
| 198 | G | 41.3 | Very low | 37.8 | Very low | 24 Ų | 24 | 151.6 Ų | 151.6 | 25% | 0.247 | 74% | 0.744 | C | S | . | * | P | Polyproline II helix | trans | -70.3 | 126.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | N58 D196 | N58-G198 WeakPolarHBondContact OD1-CA 3.33Å; D196-G198 PolarHBondContact O-N 3.18Å |
| 199 | Y | 37 | Very low | 37.3 | Very low | 218 Ų | 218 | 151.6 Ų | 151.6 | 86% | 0.855 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 142.4 | 169.5 | -88.7 | -91.7 | 0 | 0 | 0 | 112.3 | ||
| 200 | W | 44.7 | Very low | 37.5 | Very low | 88 Ų | 88 | 152.7 Ų | 152.7 | 33% | 0.333 | 74% | 0.741 | S | S | . | * | P | Polyproline II helix | trans | -76.6 | 141.6 | 179.2 | -61.1 | 94.1 | 0 | 0 | 0 | 113.2 | L55 F57 D168 V171 | L55-W200 HydrophobicContact CB-CZ3 3.87Å; L55-W200 HydrophobicContact CD1-CH2 4.26Å; L55-W200 HydrophobicContact CD1-CZ3 4.2Å; L55-W200 HydrophobicContact CD2-CZ3 3.95Å; L55-W200 HydrophobicContact CG-CZ3 4.2Å; F57-W200 HydrophobicContact CD2-CZ2 4.23Å; D168-W200 HydrophobicContact CB-CZ2 4.08Å; D168-W200 WeakPolarHBondContact OD1-CZ2 3.41Å; D168-W200 PolarHBondContact OD2-NE1 3.25Å; V171-W200 HydrophobicContact CB-CH2 4.37Å; V171-W200 HydrophobicContact CG1-CH2 4.25Å; V171-W200 HydrophobicContact CG2-CH2 4.3Å |
| 201 | K | 39.1 | Very low | 37.5 | Very low | 162 Ų | 162 | 152.5 Ų | 152.5 | 70% | 0.704 | 74% | 0.735 | S | S | * | * | trans | -122.4 | 102.8 | 153.4 | -75.8 | -173.5 | -178.7 | 173.9 | 0 | 108.8 | W203 | K201-W203 PolarHBondContact O-N 2.86Š| ||
| 202 | C | 36.8 | Very low | 37.7 | Very low | 99 Ų | 99 | 150.9 Ų | 150.9 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | trans | -72 | 121.8 | 176.4 | -159.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 203 | W | 32.6 | Very low | 37.9 | Very low | 172 Ų | 172 | 147.8 Ų | 147.8 | 65% | 0.652 | 71% | 0.711 | S | S | * | * | trans | -108.2 | 100.7 | 165.1 | -72.5 | 85.2 | 0 | 0 | 0 | 107.5 | K201 | K201-W203 PolarHBondContact O-N 2.86Š| ||
| 204 | C | 39.6 | Very low | 38.2 | Very low | 114 Ų | 114 | 150.1 Ų | 150.1 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | trans | -74.8 | 122.3 | 160.8 | -61.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 205 | F | 34.8 | Very low | 38.4 | Very low | 262 Ų | 262 | 149.5 Ų | 149.5 | 100% | 1.149 | 71% | 0.706 | S | S | * | * | trans | -92.8 | 0 | 155.9 | -75.6 | -81.5 | 0 | 0 | 0 | 108.4 |
Retrieved 205 of 205 residues in 224.2 ms
(Link to these results)