| 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 | 35.5 | Very low | 37.8 | Very low | 204 Ų | 204 | 148.5 Ų | 148.5 | 100% | 1.005 | 76% | 0.76 | S | S | * | * | 0 | -46.9 | 0 | -83.1 | -145.8 | 164.8 | 0 | 0 | 113.4 | I3 S4 | M1-I3 VanDerWaalsContact C-N 3.28Å; M1-I3 PolarHBondContact O-N 3.21Å; M1-S4 PolarHBondContact O-N 3.37Å | |||
| 2 | L | 36.6 | Very low | 37.4 | Very low | 158 Ų | 158 | 148.6 Ų | 148.6 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | H | α-helix | trans | -65.5 | -25.8 | 173.1 | -86.2 | 145.7 | 0 | 0 | 0 | 114.5 | ||
| 3 | I | 39.8 | Very low | 36.9 | Very low | 136 Ų | 136 | 150 Ų | 150 | 70% | 0.697 | 77% | 0.771 | S | S | * | * | H | α-helix | trans | -79.1 | -22.5 | 175.9 | -63.8 | 167.5 | 0 | 0 | 0 | 111.9 | M1 I5 | M1-I3 VanDerWaalsContact C-N 3.28Å; M1-I3 PolarHBondContact O-N 3.21Å; I3-I5 VanDerWaalsContact C-N 3.31Å; I3-I5 PolarHBondContact O-N 3.48Å |
| 4 | S | 40.7 | Very low | 36.3 | Very low | 80 Ų | 80 | 146.8 Ų | 146.8 | 56% | 0.559 | 77% | 0.766 | S | S | * | * | H | α-helix | trans | -77 | -20 | 179.6 | -48.3 | 0 | 0 | 0 | 0 | 112.5 | M1 | M1-S4 PolarHBondContact O-N 3.37Å |
| 5 | I | 43.8 | Very low | 36.2 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 60% | 0.595 | 77% | 0.771 | S | S | * | * | H | α-helix | trans | -87 | -24.1 | 179.2 | -63.7 | 173.1 | 0 | 0 | 0 | 111.4 | I3 | I3-I5 VanDerWaalsContact C-N 3.31Å; I3-I5 PolarHBondContact O-N 3.48Å |
| 6 | F | 37.8 | Very low | 35.6 | Very low | 180 Ų | 180 | 149.1 Ų | 149.1 | 79% | 0.789 | 77% | 0.77 | S | S | * | * | H | α-helix | trans | -79.2 | -22.3 | 178.8 | -123.8 | -87 | 0 | 0 | 0 | 113.9 | ||
| 7 | L | 37.1 | Very low | 35.7 | Very low | 141 Ų | 141 | 146.4 Ų | 146.4 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -12.5 | 179.3 | -82.1 | 160 | 0 | 0 | 0 | 114.4 | ||
| 8 | L | 38.9 | Very low | 35.9 | Very low | 143 Ų | 143 | 145.4 Ų | 145.4 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -11.1 | -179.2 | -137 | 88.2 | 0 | 0 | 0 | 114.8 | ||
| 9 | N | 34.3 | Very low | 36.1 | Very low | 130 Ų | 130 | 145.5 Ų | 145.5 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -105.3 | 16.6 | -174.4 | -95.8 | -27.2 | 0 | 0 | 0 | 116 | ||
| 10 | L | 34.6 | Very low | 36.5 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -114.8 | 6.7 | 169.2 | -116.3 | 94.5 | 0 | 0 | 0 | 115.4 | ||
| 11 | Q | 36.6 | Very low | 37.6 | Very low | 184 Ų | 184 | 138.1 Ų | 138.1 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -97.2 | 17.3 | 178.3 | -87.7 | -167.1 | -22.7 | 0 | 0 | 115.6 | ||
| 12 | L | 33.7 | Very low | 38.9 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -114.4 | 14.8 | -177.5 | -107.1 | 150.8 | 0 | 0 | 0 | 116.7 | ||
| 13 | L | 30.4 | Very low | 40.3 | Very low | 167 Ų | 167 | 126.7 Ų | 126.7 | 87% | 0.874 | 68% | 0.68 | S | S | * | * | trans | -136.7 | 70.6 | 173.6 | -79.6 | 165.9 | 0 | 0 | 0 | 112.4 | ||||
| 14 | C | 28.9 | Very low | 41.4 | Very low | 105 Ų | 105 | 125.5 Ų | 125.5 | 71% | 0.709 | 68% | 0.679 | S | S | * | * | trans | -149.4 | 56.5 | 157.5 | -88.3 | 0 | 0 | 0 | 0 | 109.1 | Y16 | C14-Y16 VanDerWaalsContact C-N 3.29Å; C14-Y16 HydrophobicContact CB-CE2 4.36Å; C14-Y16 PolarHBondContact O-N 3Å; C14-Y16 VanDerWaalsContact O-N 3.1Å | ||
| 15 | V | 33.8 | Very low | 42.2 | Very low | 137 Ų | 137 | 129.1 Ų | 129.1 | 83% | 0.83 | 69% | 0.692 | S | S | * | * | trans | -74.6 | 92.4 | 161.4 | -179.4 | 0 | 0 | 0 | 0 | 105.8 | P17 | V15-P17 WeakPolarHBondContact O-CD 3.17Š| ||
| 16 | Y | 27.6 | Very low | 42.8 | Very low | 193 Ų | 193 | 128 Ų | 128 | 76% | 0.757 | 68% | 0.684 | S | S | * | * | trans | -60.4 | 121.2 | 169.3 | -81 | -87.9 | 0 | 0 | 0 | 107.7 | C14 V18 | C14-Y16 VanDerWaalsContact C-N 3.29Å; C14-Y16 HydrophobicContact CB-CE2 4.36Å; C14-Y16 PolarHBondContact O-N 3Å; C14-Y16 VanDerWaalsContact O-N 3.1Å; Y16-V18 PolarHBondContact O-N 3.23Å | ||
| 17 | P | 37.4 | Very low | 43.8 | Very low | 103 Ų | 103 | 124.4 Ų | 124.4 | 67% | 0.669 | 68% | 0.679 | S | S | * | * | trans | -63.6 | 123.9 | 171.7 | 27 | -29.7 | 0 | 0 | 0 | 106.7 | V15 I19 | V15-P17 WeakPolarHBondContact O-CD 3.17Å; P17-I19 VanDerWaalsContact C-N 3.29Å; P17-I19 PolarHBondContact O-N 3.41Å | ||
| 18 | V | 39 | Very low | 45.4 | Very low | 129 Ų | 129 | 122.2 Ų | 122.2 | 78% | 0.782 | 67% | 0.667 | S | S | * | * | trans | -62.1 | 97.2 | 170.9 | 178.4 | 0 | 0 | 0 | 0 | 106.5 | Y16 S20 | Y16-V18 PolarHBondContact O-N 3.23Å; V18-S20 PolarHBondContact O-N 3.15Å; V18-S20 VanDerWaalsContact O-N 3.09Å | ||
| 19 | I | 39.6 | Very low | 47.3 | Very low | 147 Ų | 147 | 119.8 Ų | 119.8 | 75% | 0.754 | 65% | 0.648 | S | S | * | * | trans | -65.5 | 110 | 174.2 | -61.6 | 169.7 | 0 | 0 | 0 | 105.6 | P17 S21 | P17-I19 VanDerWaalsContact C-N 3.29Å; P17-I19 PolarHBondContact O-N 3.41Å; I19-S21 PolarHBondContact O-N 3.32Å | ||
| 20 | S | 43.6 | Very low | 49.7 | Very low | 68 Ų | 68 | 114 Ų | 114 | 48% | 0.476 | 62% | 0.617 | S | S | . | * | trans | -59.5 | 103.4 | 171.2 | 55.4 | 0 | 0 | 0 | 0 | 108.4 | V18 I22 | V18-S20 PolarHBondContact O-N 3.15Å; V18-S20 VanDerWaalsContact O-N 3.09Å; S20-I22 PolarHBondContact O-N 2.93Å | ||
| 21 | S | 59.1 | Low | 51.8 | Low | 69 Ų | 69 | 106.7 Ų | 106.7 | 48% | 0.483 | 58% | 0.58 | S | S | . | * | trans | -72.7 | 116.9 | 175.5 | 56.3 | 0 | 0 | 0 | 0 | 108.9 | I19 S49 | I19-S21 PolarHBondContact O-N 3.32Å; S21-S49 PolarHBondContact O-N 3Å; S21-S49 PolarHBondContact OG-OG 3.29Å | ||
| 22 | I | 63.5 | Low | 53.7 | Low | 114 Ų | 114 | 105.4 Ų | 105.4 | 59% | 0.585 | 58% | 0.575 | S | S | * | * | B | Isolated β-bridge | trans | -57.9 | 141.3 | 164.2 | -64.7 | 164.3 | 0 | 0 | 0 | 107.3 | S20 V24 T48 | S20-I22 PolarHBondContact O-N 2.93Å; I22-V24 HydrophobicContact CB-CG2 3.98Å; I22-V24 HydrophobicContact CG2-CG2 4.02Å; I22-V24 WeakPolarHBondContact O-CG2 3.42Å; I22-V24 PolarHBondContact O-N 3.5Å; I22-T48 HydrophobicContact CG1-CG2 4.35Å |
| 23 | C | 66.3 | Low | 55.7 | Low | 7 Ų | 7 | 105.5 Ų | 105.5 | 5% | 0.047 | 58% | 0.576 | C | S | . | * | trans | -71.9 | 62.7 | 173.2 | -70.5 | 0 | 0 | 0 | 0 | 110.2 | D25 Q26 C34 A47 | C23-D25 VanDerWaalsContact C-N 3.26Å; C23-D25 PolarHBondContact O-N 3.01Å; C23-Q26 CarbonylContact O-C 3.37Å; C23-Q26 PolarHBondContact O-N 3.34Å; C23-Q26 VanDerWaalsContact O-N 3.16Å; C23-C34 VanDerWaalsContact CA-SG 3.59Å; C23-C34 HydrophobicContact CB-CB 3.9Å; C23-C34 WeakPolarHBondContact CB-SG 3.4Å; C23-C34 WeakPolarHBondContact SG-CB 3.4Å; C23-C34 CovalentContact SG-SG 2.04Å; C23-C34 PolarHBondContact SG-SG 2.9Å; C23-A47 HydrophobicContact CB-CB 4.48Å; C23-A47 PolarHBondContact N-O 3.1Å | ||
| 24 | V | 62.9 | Low | 57.9 | Low | 111 Ų | 111 | 99 Ų | 99 | 67% | 0.673 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -38 | -168.5 | -179 | 0 | 0 | 0 | 0 | 112.2 | I22 Q26 | I22-V24 HydrophobicContact CB-CG2 3.98Å; I22-V24 HydrophobicContact CG2-CG2 4.02Å; I22-V24 WeakPolarHBondContact O-CG2 3.42Å; I22-V24 PolarHBondContact O-N 3.5Å; V24-Q26 VanDerWaalsContact C-N 3.33Å; V24-Q26 PolarHBondContact O-N 3.06Å |
| 25 | D | 58.2 | Low | 60.3 | Low | 157 Ų | 157 | 97 Ų | 97 | 84% | 0.84 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -12.3 | -174.7 | -66.4 | -27.3 | 0 | 0 | 0 | 114.1 | C23 | C23-D25 VanDerWaalsContact C-N 3.26Å; C23-D25 PolarHBondContact O-N 3.01Å |
| 26 | Q | 55.9 | Low | 62.5 | Low | 91 Ų | 91 | 96 Ų | 96 | 43% | 0.425 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -142.6 | 79.2 | -179.4 | -64.9 | -166.3 | -6.4 | 0 | 0 | 110.8 | C23 V24 L28 R29 | C23-Q26 CarbonylContact O-C 3.37Å; C23-Q26 PolarHBondContact O-N 3.34Å; C23-Q26 VanDerWaalsContact O-N 3.16Å; V24-Q26 VanDerWaalsContact C-N 3.33Å; V24-Q26 PolarHBondContact O-N 3.06Å; Q26-L28 PolarHBondContact O-N 3.34Å; Q26-R29 HydrophobicContact CB-CB 4.34Å; Q26-R29 HydrophobicContact CB-CG 4.13Å; Q26-R29 PolarHBondContact O-N 2.86Å; Q26-R29 VanDerWaalsContact O-N 3.14Å |
| 27 | P | 57.7 | Low | 65.2 | Low | 106 Ų | 106 | 89.3 Ų | 89.3 | 69% | 0.688 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 133 | 171 | 22.3 | -31.6 | 0 | 0 | 0 | 108.9 | ||
| 28 | L | 70.6 | Confident | 67.4 | Low | 94 Ų | 94 | 84.9 Ų | 84.9 | 49% | 0.492 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | 14.4 | -171.7 | -50.2 | 159.5 | 0 | 0 | 0 | 116.6 | Q26 V37 C38 | Q26-L28 PolarHBondContact O-N 3.34Å; L28-V37 CarbonylContact O-C 3.37Å; L28-C38 PolarHBondContact O-N 2.87Å |
| 29 | R | 78.9 | Confident | 69.7 | Low | 93 Ų | 93 | 80.8 Ų | 80.8 | 35% | 0.351 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 152.2 | 169.9 | -62.6 | -153.5 | -175.4 | -170.2 | -2.7 | 113.8 | Q26 C34 Y36 V37 A47 | Q26-R29 HydrophobicContact CB-CB 4.34Å; Q26-R29 HydrophobicContact CB-CG 4.13Å; Q26-R29 PolarHBondContact O-N 2.86Å; Q26-R29 VanDerWaalsContact O-N 3.14Å; R29-C34 HydrophobicContact CB-CB 4.16Å; R29-C34 WeakPolarHBondContact CD-O 3.39Å; R29-Y36 CarbonylContact C-O 3.46Å; R29-Y36 WeakPolarHBondContact CA-O 3.48Å; R29-Y36 VanDerWaalsContact CB-O 3.31Å; R29-Y36 WeakPolarHBondContact CB-O 3.25Å; R29-V37 HydrophobicContact CG-CG2 4.38Å; R29-A47 VanDerWaalsContact O-CA 3.25Å; R29-A47 WeakPolarHBondContact O-CA 3.47Å; R29-A47 VanDerWaalsContact O-CB 3.3Å; R29-A47 WeakPolarHBondContact O-CB 3.24Å |
| 30 | F | 85.2 | Confident | 71.7 | Confident | 8 Ų | 8 | 74.6 Ų | 74.6 | 4% | 0.035 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 171.7 | -176.4 | 75.6 | -85.6 | 0 | 0 | 0 | 113.2 | C34 S35 Y36 C38 S51 V52 G53 A68 | F30-C34 CarbonylContact O-C 3.53Å; F30-S35 PolarHBondContact O-N 2.94Å; F30-Y36 HydrophobicContact CE2-CD2 4.37Å; F30-Y36 HydrophobicContact CE2-CG 4.36Å; F30-Y36 HydrophobicContact CZ-CG 4.26Å; F30-Y36 PolarHBondContact N-O 3.35Å; F30-Y36 PolarHBondContact O-N 3.49Å; F30-C38 HydrophobicContact CD1-CB 4.11Å; F30-C38 HydrophobicContact CE1-CB 4.39Å; F30-S51 WeakPolarHBondContact CB-OG 3.29Å; F30-S51 WeakPolarHBondContact CD2-O 3.5Å; F30-V52 VanDerWaalsContact CE2-C 3.42Å; F30-V52 WeakPolarHBondContact CE2-O 3.23Å; F30-G53 VanDerWaalsContact CE2-N 3.33Å; F30-A68 HydrophobicContact CZ-CB 4.37Å |
| 31 | G | 78.4 | Confident | 73.4 | Confident | 7 Ų | 7 | 73.7 Ų | 73.7 | 7% | 0.072 | 40% | 0.395 | C | S | . | . | S | Bend | trans | 81.9 | -176.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | N33 C34 T48 S49 | G31-N33 PolarHBondContact O-N 2.91Å; G31-C34 WeakPolarHBondContact O-CA 3.47Å; G31-C34 PolarHBondContact O-N 3.39Å; G31-T48 PolarHBondContact N-O 2.99Å; G31-T48 VanDerWaalsContact N-O 3.16Å; G31-S49 CarbonylContact C-O 3.54Å; G31-S49 WeakPolarHBondContact CA-O 3.5Å; G31-S49 WeakPolarHBondContact O-CA 3.38Å |
| 32 | E | 77.9 | Confident | 73.9 | Confident | 158 Ų | 158 | 78.9 Ų | 78.9 | 74% | 0.738 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -56.9 | 124.3 | -174.6 | -158.9 | 172.1 | -174.1 | 0 | 0 | 110.2 | C34 S35 S49 | E32-C34 PolarHBondContact O-N 3.28Å; E32-S35 WeakPolarHBondContact O-CB 3.19Å; E32-S35 PolarHBondContact O-N 3.42Å; E32-S35 PolarHBondContact O-OG 3.34Å; E32-S49 PolarHBondContact N-O 2.81Å |
| 33 | N | 75.2 | Confident | 74.1 | Confident | 151 Ų | 151 | 80.4 Ų | 80.4 | 81% | 0.807 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | 57.4 | 23.6 | -171.4 | -62.3 | -32.6 | 0 | 0 | 0 | 116.1 | G31 S35 | G31-N33 PolarHBondContact O-N 2.91Å; N33-S35 PolarHBondContact O-N 3.39Å |
| 34 | C | 75.5 | Confident | 74.5 | Confident | 30 Ų | 30 | 81.1 Ų | 81.1 | 20% | 0.203 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | 55.5 | 38.6 | -179 | -50.8 | 0 | 0 | 0 | 0 | 112.4 | C23 R29 F30 G31 E32 | C23-C34 VanDerWaalsContact CA-SG 3.59Å; C23-C34 HydrophobicContact CB-CB 3.9Å; C23-C34 WeakPolarHBondContact CB-SG 3.4Å; C23-C34 WeakPolarHBondContact SG-CB 3.4Å; C23-C34 CovalentContact SG-SG 2.04Å; C23-C34 PolarHBondContact SG-SG 2.9Å; R29-C34 HydrophobicContact CB-CB 4.16Å; R29-C34 WeakPolarHBondContact CD-O 3.39Å; F30-C34 CarbonylContact O-C 3.53Å; G31-C34 WeakPolarHBondContact O-CA 3.47Å; G31-C34 PolarHBondContact O-N 3.39Å; E32-C34 PolarHBondContact O-N 3.28Å |
| 35 | S | 79.8 | Confident | 75.2 | Confident | 63 Ų | 63 | 77.2 Ų | 77.2 | 44% | 0.441 | 40% | 0.403 | S | S | . | . | trans | -79 | -22.8 | -171.3 | 47.7 | 0 | 0 | 0 | 0 | 114.2 | F30 E32 N33 | F30-S35 PolarHBondContact O-N 2.94Å; E32-S35 WeakPolarHBondContact O-CB 3.19Å; E32-S35 PolarHBondContact O-N 3.42Å; E32-S35 PolarHBondContact O-OG 3.34Å; N33-S35 PolarHBondContact O-N 3.39Å | ||
| 36 | Y | 81.2 | Confident | 76.4 | Confident | 117 Ų | 117 | 72.9 Ų | 72.9 | 46% | 0.459 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 143.7 | -175.9 | -56.9 | -76.2 | 0 | 0 | 0 | 111.9 | R29 F30 Q70 | R29-Y36 CarbonylContact C-O 3.46Å; R29-Y36 WeakPolarHBondContact CA-O 3.48Å; R29-Y36 VanDerWaalsContact CB-O 3.31Å; R29-Y36 WeakPolarHBondContact CB-O 3.25Å; F30-Y36 HydrophobicContact CE2-CD2 4.37Å; F30-Y36 HydrophobicContact CE2-CG 4.36Å; F30-Y36 HydrophobicContact CZ-CG 4.26Å; F30-Y36 PolarHBondContact N-O 3.35Å; F30-Y36 PolarHBondContact O-N 3.49Å; Y36-Q70 HydrophobicContact CD1-CG 4.22Å |
| 37 | V | 84.2 | Confident | 77.4 | Confident | 52 Ų | 52 | 69.6 Ų | 69.6 | 32% | 0.315 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 127.5 | 179.7 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | L28 R29 H39 Q70 | L28-V37 CarbonylContact O-C 3.37Å; R29-V37 HydrophobicContact CG-CG2 4.38Å; V37-H39 PolarHBondContact O-CD2 3.48Å; V37-H39 PolarHBondContact O-N 3.3Å; V37-Q70 PolarHBondContact O-NE2 2.88Å |
| 38 | C | 82.8 | Confident | 78.3 | Confident | 11 Ų | 11 | 65.9 Ų | 65.9 | 7% | 0.074 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 123.4 | -179.1 | -156.7 | 0 | 0 | 0 | 0 | 112 | L28 F30 C40 C45 | L28-C38 PolarHBondContact O-N 2.87Å; F30-C38 HydrophobicContact CD1-CB 4.11Å; F30-C38 HydrophobicContact CE1-CB 4.39Å; C38-C40 WeakPolarHBondContact CB-SG 3.38Å; C38-C40 WeakPolarHBondContact SG-CB 3.26Å; C38-C40 CovalentContact SG-SG 2.05Å; C38-C40 PolarHBondContact SG-SG 3.35Å; C38-C45 HydrophobicContact CB-CB 3.86Å; C38-C45 WeakPolarHBondContact CB-SG 3.3Å; C38-C45 VanDerWaalsContact SG-SG 3.61Å |
| 39 | H | 86.5 | Confident | 78.4 | Confident | 43 Ų | 43 | 62.6 Ų | 62.6 | 20% | 0.199 | 33% | 0.327 | C | S | . | . | trans | -110.1 | 54.8 | 171.2 | -61.9 | -65.1 | 0 | 0 | 0 | 109.5 | V37 C59 S60 Y63 C69 | V37-H39 PolarHBondContact O-CD2 3.48Å; V37-H39 PolarHBondContact O-N 3.3Å; H39-C59 WeakPolarHBondContact O-CA 3.49Å; H39-S60 PolarHBondContact O-N 2.75Å; H39-S60 PolarHBondContact O-OG 3.48Å; H39-Y63 HydrophobicContact CB-CD1 4.27Å; H39-Y63 HydrophobicContact CB-CD2 4.08Å; H39-Y63 HydrophobicContact CB-CG 3.83Å; H39-Y63 AromaticContact CD2-CD1 3.71Å; H39-Y63 AromaticContact CD2-CE1 3.78Å; H39-Y63 AromaticContact CE1-CE1 3.82Å; H39-Y63 AromaticContact CE1-CZ 3.66Å; H39-Y63 AromaticContact CG-CD1 3.84Å; H39-Y63 AromaticContact CG-CD2 4Å; H39-Y63 AromaticContact CG-CG 3.82Å; H39-Y63 AromaticContact ND1-CD2 3.99Å; H39-Y63 AromaticContact ND1-CE2 3.79Å; H39-Y63 AromaticContact ND1-CZ 3.82Å; H39-Y63 AromaticContact NE2-CE1 3.66Å; H39-Y63 AromaticContact NE2-CZ 3.99Å; H39-C69 HydrophobicContact CB-CB 3.97Å; H39-C69 WeakPolarHBondContact CB-O 3.35Å; H39-C69 PolarHBondContact CD2-O 3.15Å; H39-C69 VanDerWaalsContact CD2-O 3.32Å; H39-C69 VanDerWaalsContact O-CB 3.31Å; H39-C69 WeakPolarHBondContact O-CB 3.33Å | ||
| 40 | C | 83.1 | Confident | 78.3 | Confident | 17 Ų | 17 | 63.6 Ų | 63.6 | 12% | 0.115 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -89.9 | 144.9 | -177.4 | 12.5 | 0 | 0 | 0 | 0 | 110.8 | C38 S44 C45 C54 | C38-C40 WeakPolarHBondContact CB-SG 3.38Å; C38-C40 WeakPolarHBondContact SG-CB 3.26Å; C38-C40 CovalentContact SG-SG 2.05Å; C38-C40 PolarHBondContact SG-SG 3.35Å; C40-S44 VanDerWaalsContact CB-OG 3.23Å; C40-S44 WeakPolarHBondContact CB-OG 3.39Å; C40-C45 WeakPolarHBondContact SG-CA 3.27Å; C40-C45 WeakPolarHBondContact SG-CB 3.35Å; C40-C45 PolarHBondContact SG-N 2.84Å; C40-C45 VanDerWaalsContact SG-N 3.42Å; C40-C54 WeakPolarHBondContact CA-SG 3.4Å; C40-C54 HydrophobicContact CB-CB 3.77Å; C40-C54 WeakPolarHBondContact CB-SG 3.24Å |
| 41 | L | 78.2 | Confident | 78 | Confident | 48 Ų | 48 | 63.9 Ų | 63.9 | 25% | 0.251 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -77.6 | 142 | 169.3 | -163.3 | 75.5 | 0 | 0 | 0 | 109.8 | D43 S44 S58 L80 | L41-D43 PolarHBondContact O-N 2.81Å; L41-S44 PolarHBondContact O-N 3.35Å; L41-S44 PolarHBondContact O-OG 2.82Å; L41-S58 WeakPolarHBondContact CB-O 3.32Å; L41-S58 PolarHBondContact N-O 3.03Å; L41-L80 HydrophobicContact CD1-CD1 3.73Å; L41-L80 HydrophobicContact CD2-CD1 4.06Å; L41-L80 HydrophobicContact CG-CD1 4.47Å |
| 42 | E | 70.7 | Confident | 78.1 | Confident | 179 Ų | 179 | 68 Ų | 68 | 84% | 0.836 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | 56.2 | 40.5 | 175.1 | -66.2 | 174.7 | -174.7 | 0 | 0 | 115.1 | S44 | E42-S44 PolarHBondContact O-N 2.88Š|
| 43 | D | 66.4 | Low | 78.4 | Confident | 146 Ų | 146 | 60.5 Ų | 60.5 | 78% | 0.781 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | 55.8 | 26.5 | 175.3 | -63.2 | -34.1 | 0 | 0 | 0 | 114.9 | L41 C45 | L41-D43 PolarHBondContact O-N 2.81Å; D43-C45 PolarHBondContact O-N 2.86Å |
| 44 | S | 74.6 | Confident | 78.8 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 15% | 0.154 | 29% | 0.292 | C | S | . | . | trans | -70.5 | 20.8 | 176.6 | 58.2 | 0 | 0 | 0 | 0 | 114.7 | C40 L41 E42 E46 K55 F56 | C40-S44 VanDerWaalsContact CB-OG 3.23Å; C40-S44 WeakPolarHBondContact CB-OG 3.39Å; L41-S44 PolarHBondContact O-N 3.35Å; L41-S44 PolarHBondContact O-OG 2.82Å; E42-S44 PolarHBondContact O-N 2.88Å; S44-E46 PolarHBondContact O-N 3.39Å; S44-K55 WeakPolarHBondContact O-CB 3.45Å; S44-K55 PolarHBondContact O-N 3.02Å; S44-F56 WeakPolarHBondContact CB-O 3.45Å; S44-F56 PolarHBondContact OG-O 3.12Å; S44-F56 VanDerWaalsContact OG-O 3.08Å | ||
| 45 | C | 79.1 | Confident | 79 | Confident | 29 Ų | 29 | 57 Ų | 57 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -70.2 | 117.1 | -177.5 | -175.1 | 0 | 0 | 0 | 0 | 111.5 | C38 C40 D43 A47 | C38-C45 HydrophobicContact CB-CB 3.86Å; C38-C45 WeakPolarHBondContact CB-SG 3.3Å; C38-C45 VanDerWaalsContact SG-SG 3.61Å; C40-C45 WeakPolarHBondContact SG-CA 3.27Å; C40-C45 WeakPolarHBondContact SG-CB 3.35Å; C40-C45 PolarHBondContact SG-N 2.84Å; C40-C45 VanDerWaalsContact SG-N 3.42Å; D43-C45 PolarHBondContact O-N 2.86Å; C45-A47 PolarHBondContact O-N 3.26Å |
| 46 | E | 82.7 | Confident | 78.7 | Confident | 65 Ų | 65 | 61.2 Ų | 61.2 | 30% | 0.304 | 32% | 0.316 | S | S | . | . | trans | -89.9 | 90.4 | 166.6 | -165.5 | 158.4 | -130.9 | 0 | 0 | 109.2 | S44 T48 S51 G53 K55 | S44-E46 PolarHBondContact O-N 3.39Å; E46-T48 HydrophobicContact CG-CG2 4.49Å; E46-T48 PolarHBondContact O-N 2.87Å; E46-S51 WeakPolarHBondContact O-CB 3.39Å; E46-S51 PolarHBondContact O-OG 3.42Å; E46-G53 PolarHBondContact N-O 3.35Å; E46-K55 WeakPolarHBondContact OE1-CE 3.26Å; E46-K55 IonicContact OE1-NZ 2.79Å; E46-K55 PolarHBondContact OE1-NZ 2.96Å | ||
| 47 | A | 76.5 | Confident | 78.3 | Confident | 23 Ų | 23 | 58 Ų | 58 | 19% | 0.19 | 32% | 0.318 | C | S | . | . | trans | -80.3 | 60.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | C23 R29 C45 | C23-A47 HydrophobicContact CB-CB 4.48Å; C23-A47 PolarHBondContact N-O 3.1Å; R29-A47 VanDerWaalsContact O-CA 3.25Å; R29-A47 WeakPolarHBondContact O-CA 3.47Å; R29-A47 VanDerWaalsContact O-CB 3.3Å; R29-A47 WeakPolarHBondContact O-CB 3.24Å; C45-A47 PolarHBondContact O-N 3.26Å | ||
| 48 | T | 75.8 | Confident | 78 | Confident | 27 Ų | 27 | 56.9 Ų | 56.9 | 17% | 0.166 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -120.9 | 154.4 | 175.7 | 65.4 | 0 | 0 | 0 | 0 | 111.1 | I22 G31 E46 N50 S51 | I22-T48 HydrophobicContact CG1-CG2 4.35Å; G31-T48 PolarHBondContact N-O 2.99Å; G31-T48 VanDerWaalsContact N-O 3.16Å; E46-T48 HydrophobicContact CG-CG2 4.49Å; E46-T48 PolarHBondContact O-N 2.87Å; T48-N50 PolarHBondContact O-N 2.89Å; T48-N50 VanDerWaalsContact O-N 3.1Å; T48-S51 PolarHBondContact O-N 3.03Å; T48-S51 VanDerWaalsContact O-N 3.16Å; T48-S51 VanDerWaalsContact OG1-CB 3.31Å; T48-S51 WeakPolarHBondContact OG1-CB 3.39Å; T48-S51 PolarHBondContact OG1-N 3.16Å |
| 49 | S | 74.4 | Confident | 78.2 | Confident | 25 Ų | 25 | 56.4 Ų | 56.4 | 18% | 0.175 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -19.3 | 179.3 | 50.7 | 0 | 0 | 0 | 0 | 114.1 | S21 G31 E32 | S21-S49 PolarHBondContact O-N 3Å; S21-S49 PolarHBondContact OG-OG 3.29Å; G31-S49 CarbonylContact C-O 3.54Å; G31-S49 WeakPolarHBondContact CA-O 3.5Å; G31-S49 WeakPolarHBondContact O-CA 3.38Å; E32-S49 PolarHBondContact N-O 2.81Å |
| 50 | N | 76.3 | Confident | 78.2 | Confident | 115 Ų | 115 | 55.5 Ų | 55.5 | 62% | 0.615 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 4.5 | -177.5 | -58.4 | 1.4 | 0 | 0 | 0 | 112.8 | T48 | T48-N50 PolarHBondContact O-N 2.89Å; T48-N50 VanDerWaalsContact O-N 3.1Å |
| 51 | S | 78.9 | Confident | 78.2 | Confident | 14 Ų | 14 | 57.3 Ų | 57.3 | 10% | 0.098 | 32% | 0.319 | C | S | . | . | trans | -79.1 | 155.8 | -175.8 | 117.5 | 0 | 0 | 0 | 0 | 112.5 | F30 E46 T48 G53 | F30-S51 WeakPolarHBondContact CB-OG 3.29Å; F30-S51 WeakPolarHBondContact CD2-O 3.5Å; E46-S51 WeakPolarHBondContact O-CB 3.39Å; E46-S51 PolarHBondContact O-OG 3.42Å; T48-S51 PolarHBondContact O-N 3.03Å; T48-S51 VanDerWaalsContact O-N 3.16Å; T48-S51 VanDerWaalsContact OG1-CB 3.31Å; T48-S51 WeakPolarHBondContact OG1-CB 3.39Å; T48-S51 PolarHBondContact OG1-N 3.16Å; S51-G53 VanDerWaalsContact C-N 3.35Å; S51-G53 PolarHBondContact OG-N 2.8Å | ||
| 52 | V | 80.6 | Confident | 78.6 | Confident | 93 Ų | 93 | 55 Ų | 55 | 56% | 0.564 | 31% | 0.307 | S | S | * | . | trans | -89.9 | 3.3 | 171.5 | -68.1 | 0 | 0 | 0 | 0 | 113.3 | F30 P67 | F30-V52 VanDerWaalsContact CE2-C 3.42Å; F30-V52 WeakPolarHBondContact CE2-O 3.23Å; V52-P67 HydrophobicContact CB-CG 4.22Å; V52-P67 HydrophobicContact CG2-CB 4.26Å; V52-P67 HydrophobicContact CG2-CG 4.2Å; V52-P67 CarbonylContact O-C 3.6Å | ||
| 53 | G | 84.1 | Confident | 79.5 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 106.5 | -101.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F30 E46 S51 | F30-G53 VanDerWaalsContact CE2-N 3.33Å; E46-G53 PolarHBondContact N-O 3.35Å; S51-G53 VanDerWaalsContact C-N 3.35Å; S51-G53 PolarHBondContact OG-N 2.8Å |
| 54 | C | 84.3 | Confident | 80.5 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -84.9 | 119.5 | -173.8 | -47.2 | 0 | 0 | 0 | 0 | 110.4 | C40 F66 P67 C69 | C40-C54 WeakPolarHBondContact CA-SG 3.4Å; C40-C54 HydrophobicContact CB-CB 3.77Å; C40-C54 WeakPolarHBondContact CB-SG 3.24Å; C54-F66 HydrophobicContact CB-CD2 3.94Å; C54-F66 HydrophobicContact CB-CE2 3.76Å; C54-F66 WeakPolarHBondContact O-CE2 3.2Å; C54-P67 VanDerWaalsContact CB-O 3.28Å; C54-P67 WeakPolarHBondContact CB-O 3.19Å; C54-P67 PolarHBondContact N-O 3.24Å; C54-P67 PolarHBondContact SG-O 3.25Å; C54-C69 PolarHBondContact SG-SG 2.82Å |
| 55 | K | 78.4 | Confident | 81 | Confident | 106 Ų | 106 | 46 Ų | 46 | 46% | 0.461 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -73.4 | -42.5 | -171.9 | -159 | 174.9 | -178.1 | 144.6 | 0 | 113.3 | S44 E46 | S44-K55 WeakPolarHBondContact O-CB 3.45Å; S44-K55 PolarHBondContact O-N 3.02Å; E46-K55 WeakPolarHBondContact OE1-CE 3.26Å; E46-K55 IonicContact OE1-NZ 2.79Å; E46-K55 PolarHBondContact OE1-NZ 2.96Å |
| 56 | F | 74.2 | Confident | 81.1 | Confident | 153 Ų | 153 | 49.4 Ų | 49.4 | 67% | 0.671 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -149.2 | 142.7 | 178.8 | -55.6 | -72.7 | 0 | 0 | 0 | 109.1 | S44 | S44-F56 WeakPolarHBondContact CB-O 3.45Å; S44-F56 PolarHBondContact OG-O 3.12Å; S44-F56 VanDerWaalsContact OG-O 3.08Å |
| 57 | G | 72.1 | Confident | 81.2 | Confident | 50 Ų | 50 | 48.7 Ų | 48.7 | 52% | 0.515 | 28% | 0.278 | S | S | . | . | S | Bend | trans | 111.7 | -166.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | F66 | G57-F66 WeakPolarHBondContact O-CD2 3.34Å; G57-F66 WeakPolarHBondContact O-CE2 3.39Å; G57-F66 WeakPolarHBondContact O-CZ 3.21Å |
| 58 | S | 79 | Confident | 81.6 | Confident | 27 Ų | 27 | 49.4 Ų | 49.4 | 19% | 0.189 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -99.8 | 172.8 | 173.2 | 56.5 | 0 | 0 | 0 | 0 | 111 | L41 | L41-S58 WeakPolarHBondContact CB-O 3.32Å; L41-S58 PolarHBondContact N-O 3.03Å |
| 59 | C | 86.4 | Confident | 82.1 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.007 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -67.5 | 155.7 | 171.7 | -58 | 0 | 0 | 0 | 0 | 111.6 | H39 Y63 F66 C69 L80 | H39-C59 WeakPolarHBondContact O-CA 3.49Å; C59-Y63 WeakPolarHBondContact CB-O 3.32Å; C59-F66 PolarHBondContact SG-N 3.25Å; C59-C69 WeakPolarHBondContact CA-SG 3.48Å; C59-C69 HydrophobicContact CB-CB 3.65Å; C59-C69 WeakPolarHBondContact CB-SG 3.19Å; C59-C69 WeakPolarHBondContact SG-CA 3.36Å; C59-C69 WeakPolarHBondContact SG-CB 3.47Å; C59-C69 CovalentContact SG-SG 2.03Å; C59-C69 PolarHBondContact SG-SG 2.54Å; C59-L80 VanDerWaalsContact O-CD1 3.27Å; C59-L80 WeakPolarHBondContact O-CD1 3.17Å |
| 60 | S | 86.1 | Confident | 82.7 | Confident | 24 Ų | 24 | 50 Ų | 50 | 17% | 0.168 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 154.3 | 172.6 | 62.5 | 0 | 0 | 0 | 0 | 111 | H39 G62 Y63 | H39-S60 PolarHBondContact O-N 2.75Å; H39-S60 PolarHBondContact O-OG 3.48Å; S60-G62 PolarHBondContact O-N 3.33Å; S60-Y63 PolarHBondContact O-N 2.75Å |
| 61 | P | 84 | Confident | 83.3 | Confident | 55 Ų | 55 | 48.6 Ų | 48.6 | 36% | 0.357 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 129.8 | -177.1 | -26.3 | 34.8 | 0 | 0 | 0 | 112.4 | L80 | P61-L80 HydrophobicContact CG-CD1 4.1Š|
| 62 | G | 87 | Confident | 83.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | -4.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | S60 A72 C73 G79 H96 | S60-G62 PolarHBondContact O-N 3.33Å; G62-A72 CarbonylContact O-C 3.57Å; G62-A72 WeakPolarHBondContact O-CA 3.42Å; G62-C73 VanDerWaalsContact CA-SG 3.55Å; G62-C73 PolarHBondContact O-N 2.59Å; G62-C73 PolarHBondContact O-SG 2.77Å; G62-G79 PolarHBondContact N-O 3.46Å; G62-H96 WeakPolarHBondContact CA-O 3.19Å; G62-H96 PolarHBondContact O-CD2 3.21Å; G62-H96 VanDerWaalsContact O-CD2 3.3Å |
| 63 | Y | 88.6 | Confident | 84.1 | Confident | 48 Ų | 48 | 46.2 Ų | 46.2 | 19% | 0.188 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 151 | 176.8 | -62.7 | -92.5 | 0 | 0 | 0 | 110.9 | H39 C59 S60 N71 A72 I97 | H39-Y63 HydrophobicContact CB-CD1 4.27Å; H39-Y63 HydrophobicContact CB-CD2 4.08Å; H39-Y63 HydrophobicContact CB-CG 3.83Å; H39-Y63 AromaticContact CD2-CD1 3.71Å; H39-Y63 AromaticContact CD2-CE1 3.78Å; H39-Y63 AromaticContact CE1-CE1 3.82Å; H39-Y63 AromaticContact CE1-CZ 3.66Å; H39-Y63 AromaticContact CG-CD1 3.84Å; H39-Y63 AromaticContact CG-CD2 4Å; H39-Y63 AromaticContact CG-CG 3.82Å; H39-Y63 AromaticContact ND1-CD2 3.99Å; H39-Y63 AromaticContact ND1-CE2 3.79Å; H39-Y63 AromaticContact ND1-CZ 3.82Å; H39-Y63 AromaticContact NE2-CE1 3.66Å; H39-Y63 AromaticContact NE2-CZ 3.99Å; C59-Y63 WeakPolarHBondContact CB-O 3.32Å; S60-Y63 PolarHBondContact O-N 2.75Å; Y63-N71 CarbonylContact C-O 3.58Å; Y63-N71 VanDerWaalsContact CA-O 3.23Å; Y63-N71 WeakPolarHBondContact CA-O 3.33Å; Y63-A72 HydrophobicContact CD1-CB 4.47Å; Y63-A72 HydrophobicContact CE1-CB 4.33Å; Y63-I97 HydrophobicContact CE2-CD1 4.35Å; Y63-I97 HydrophobicContact CE2-CG1 4.46Å |
| 64 | F | 87.2 | Confident | 84.3 | Confident | 76 Ų | 76 | 49.5 Ų | 49.5 | 33% | 0.333 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 172.6 | 176.2 | 77.5 | -84.9 | 0 | 0 | 0 | 111 | C69 N71 A72 P74 | F64-C69 CarbonylContact O-C 3.04Å; F64-C69 WeakPolarHBondContact O-CA 3.44Å; F64-N71 HydrophobicContact CD1-CB 3.69Å; F64-N71 WeakPolarHBondContact CD1-O 3.37Å; F64-N71 HydrophobicContact CD2-CB 4.2Å; F64-N71 HydrophobicContact CE1-CB 3.36Å; F64-N71 HydrophobicContact CE2-CB 3.9Å; F64-N71 HydrophobicContact CG-CB 4.1Å; F64-N71 HydrophobicContact CZ-CB 3.48Å; F64-N71 VanDerWaalsContact CZ-CB 3.48Å; F64-N71 PolarHBondContact N-O 2.76Å; F64-N71 PolarHBondContact O-N 2.81Å; F64-A72 VanDerWaalsContact CE1-O 3.23Å; F64-A72 WeakPolarHBondContact CE1-O 3.41Å; F64-P74 HydrophobicContact CE1-CG 4.44Å |
| 65 | G | 84.8 | Confident | 84.2 | Confident | 35 Ų | 35 | 53.9 Ų | 53.9 | 36% | 0.361 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 94.5 | 40.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A68 C69 | G65-A68 PolarHBondContact O-N 3.23Å; G65-C69 PolarHBondContact O-N 3.18Å |
| 66 | F | 82.1 | Confident | 84.6 | Confident | 99 Ų | 99 | 49.5 Ų | 49.5 | 43% | 0.434 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 135.8 | 170.6 | 176.6 | -91.3 | 0 | 0 | 0 | 110.1 | C54 G57 C59 | C54-F66 HydrophobicContact CB-CD2 3.94Å; C54-F66 HydrophobicContact CB-CE2 3.76Å; C54-F66 WeakPolarHBondContact O-CE2 3.2Å; G57-F66 WeakPolarHBondContact O-CD2 3.34Å; G57-F66 WeakPolarHBondContact O-CE2 3.39Å; G57-F66 WeakPolarHBondContact O-CZ 3.21Å; C59-F66 PolarHBondContact SG-N 3.25Å |
| 67 | P | 83.7 | Confident | 85.3 | Confident | 51 Ų | 51 | 43.6 Ų | 43.6 | 33% | 0.331 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -87.3 | -11.9 | 10.2 | 32.7 | -34.9 | 0 | 0 | 0 | 116.7 | V52 C54 | V52-P67 HydrophobicContact CB-CG 4.22Å; V52-P67 HydrophobicContact CG2-CB 4.26Å; V52-P67 HydrophobicContact CG2-CG 4.2Å; V52-P67 CarbonylContact O-C 3.6Å; C54-P67 VanDerWaalsContact CB-O 3.28Å; C54-P67 WeakPolarHBondContact CB-O 3.19Å; C54-P67 PolarHBondContact N-O 3.24Å; C54-P67 PolarHBondContact SG-O 3.25Å |
| 68 | A | 84.9 | Confident | 86.3 | Confident | 38 Ų | 38 | 41.6 Ų | 41.6 | 31% | 0.314 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -32.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F30 G65 Q70 | F30-A68 HydrophobicContact CZ-CB 4.37Å; G65-A68 PolarHBondContact O-N 3.23Å; A68-Q70 VanDerWaalsContact C-N 3.28Å; A68-Q70 HydrophobicContact CB-CG 4.3Å; A68-Q70 PolarHBondContact O-N 2.85Å; A68-Q70 PolarHBondContact O-NE2 2.89Å |
| 69 | C | 88 | Confident | 86.5 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | 54.2 | 33.8 | 177.6 | -62.2 | 0 | 0 | 0 | 0 | 115.6 | H39 C54 C59 F64 G65 | H39-C69 HydrophobicContact CB-CB 3.97Å; H39-C69 WeakPolarHBondContact CB-O 3.35Å; H39-C69 PolarHBondContact CD2-O 3.15Å; H39-C69 VanDerWaalsContact CD2-O 3.32Å; H39-C69 VanDerWaalsContact O-CB 3.31Å; H39-C69 WeakPolarHBondContact O-CB 3.33Å; C54-C69 PolarHBondContact SG-SG 2.82Å; C59-C69 WeakPolarHBondContact CA-SG 3.48Å; C59-C69 HydrophobicContact CB-CB 3.65Å; C59-C69 WeakPolarHBondContact CB-SG 3.19Å; C59-C69 WeakPolarHBondContact SG-CA 3.36Å; C59-C69 WeakPolarHBondContact SG-CB 3.47Å; C59-C69 CovalentContact SG-SG 2.03Å; C59-C69 PolarHBondContact SG-SG 2.54Å; F64-C69 CarbonylContact O-C 3.04Å; F64-C69 WeakPolarHBondContact O-CA 3.44Å; G65-C69 PolarHBondContact O-N 3.18Å | ||
| 70 | Q | 87.2 | Confident | 86.4 | Confident | 64 Ų | 64 | 43.9 Ų | 43.9 | 30% | 0.299 | 26% | 0.263 | S | S | . | . | trans | -88.5 | -12.3 | -176.9 | -62.3 | -54.7 | -74.1 | 0 | 0 | 114.6 | Y36 V37 A68 | Y36-Q70 HydrophobicContact CD1-CG 4.22Å; V37-Q70 PolarHBondContact O-NE2 2.88Å; A68-Q70 VanDerWaalsContact C-N 3.28Å; A68-Q70 HydrophobicContact CB-CG 4.3Å; A68-Q70 PolarHBondContact O-N 2.85Å; A68-Q70 PolarHBondContact O-NE2 2.89Å | ||
| 71 | N | 87.8 | Confident | 86.2 | Confident | 86 Ų | 86 | 47.3 Ų | 47.3 | 46% | 0.46 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 121.1 | -173.4 | -60.5 | -21.7 | 0 | 0 | 0 | 110.5 | Y63 F64 | Y63-N71 CarbonylContact C-O 3.58Å; Y63-N71 VanDerWaalsContact CA-O 3.23Å; Y63-N71 WeakPolarHBondContact CA-O 3.33Å; F64-N71 HydrophobicContact CD1-CB 3.69Å; F64-N71 WeakPolarHBondContact CD1-O 3.37Å; F64-N71 HydrophobicContact CD2-CB 4.2Å; F64-N71 HydrophobicContact CE1-CB 3.36Å; F64-N71 HydrophobicContact CE2-CB 3.9Å; F64-N71 HydrophobicContact CG-CB 4.1Å; F64-N71 HydrophobicContact CZ-CB 3.48Å; F64-N71 VanDerWaalsContact CZ-CB 3.48Å; F64-N71 PolarHBondContact N-O 2.76Å; F64-N71 PolarHBondContact O-N 2.81Å |
| 72 | A | 88.1 | Confident | 86.3 | Confident | 46 Ų | 46 | 45.5 Ų | 45.5 | 38% | 0.38 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 150.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G62 Y63 F64 | G62-A72 CarbonylContact O-C 3.57Å; G62-A72 WeakPolarHBondContact O-CA 3.42Å; Y63-A72 HydrophobicContact CD1-CB 4.47Å; Y63-A72 HydrophobicContact CE1-CB 4.33Å; F64-A72 VanDerWaalsContact CE1-O 3.23Å; F64-A72 WeakPolarHBondContact CE1-O 3.41Å |
| 73 | C | 88.6 | Confident | 86.2 | Confident | 10 Ų | 10 | 49.8 Ų | 49.8 | 7% | 0.068 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -58 | 140.9 | -177.8 | -64.9 | 0 | 0 | 0 | 0 | 112.9 | G62 C82 H96 | G62-C73 VanDerWaalsContact CA-SG 3.55Å; G62-C73 PolarHBondContact O-N 2.59Å; G62-C73 PolarHBondContact O-SG 2.77Å; C73-C82 WeakPolarHBondContact CA-SG 3.14Å; C73-C82 HydrophobicContact CB-CB 3.58Å; C73-C82 WeakPolarHBondContact CB-SG 3.15Å; C73-C82 WeakPolarHBondContact SG-CA 3.23Å; C73-C82 WeakPolarHBondContact SG-CB 3.49Å; C73-C82 CovalentContact SG-SG 2.02Å; C73-C82 PolarHBondContact SG-SG 3.47Å; C73-H96 HydrophobicContact CB-CB 3.88Å |
| 74 | P | 87.2 | Confident | 86 | Confident | 69 Ų | 69 | 51.7 Ų | 51.7 | 45% | 0.448 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 147.5 | 176.4 | -22.5 | 30.7 | 0 | 0 | 0 | 112.4 | F64 G76 T77 | F64-P74 HydrophobicContact CE1-CG 4.44Å; P74-G76 PolarHBondContact O-N 2.85Å; P74-T77 WeakPolarHBondContact CD-OG1 3.29Å; P74-T77 PolarHBondContact O-N 3.37Å; P74-T77 PolarHBondContact O-OG1 3Å |
| 75 | T | 83.8 | Confident | 86.1 | Confident | 94 Ų | 94 | 53.4 Ų | 53.4 | 58% | 0.577 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 127.9 | 175.8 | 44.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 76 | G | 85.9 | Confident | 86.2 | Confident | 14 Ų | 14 | 51.9 Ų | 51.9 | 14% | 0.144 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 0.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | P74 C86 | P74-G76 PolarHBondContact O-N 2.85Å; G76-C86 VanDerWaalsContact O-CB 3.24Å; G76-C86 WeakPolarHBondContact O-CB 3.37Å; G76-C86 PolarHBondContact O-N 3.09Å |
| 77 | T | 89.5 | Confident | 86.6 | Confident | 29 Ų | 29 | 49.2 Ų | 49.2 | 18% | 0.178 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 153.8 | 174.4 | 63.8 | 0 | 0 | 0 | 0 | 112.1 | P74 Q84 | P74-T77 WeakPolarHBondContact CD-OG1 3.29Å; P74-T77 PolarHBondContact O-N 3.37Å; P74-T77 PolarHBondContact O-OG1 3Å; T77-Q84 CarbonylContact C-O 3.45Å; T77-Q84 WeakPolarHBondContact CA-O 3.14Å |
| 78 | F | 91.5 | Very high | 86.7 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 4% | 0.035 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 171.6 | 179.4 | 73.3 | -85.9 | 0 | 0 | 0 | 113.6 | C82 Q84 N85 N95 H96 G99 A115 T117 | F78-C82 CarbonylContact O-C 3.57Å; F78-Q84 HydrophobicContact CD1-CB 3.94Å; F78-Q84 HydrophobicContact CD2-CB 4.17Å; F78-Q84 HydrophobicContact CE1-CB 3.62Å; F78-Q84 HydrophobicContact CE2-CB 3.85Å; F78-Q84 HydrophobicContact CE2-CG 4.36Å; F78-Q84 HydrophobicContact CG-CB 4.21Å; F78-Q84 HydrophobicContact CZ-CB 3.56Å; F78-Q84 HydrophobicContact CZ-CG 4.35Å; F78-Q84 PolarHBondContact N-O 2.73Å; F78-Q84 WeakPolarHBondContact O-CB 3.3Å; F78-Q84 PolarHBondContact O-N 3.28Å; F78-Q84 VanDerWaalsContact O-N 3.07Å; F78-N85 WeakPolarHBondContact CE1-O 3.39Å; F78-N95 WeakPolarHBondContact CB-O 3.45Å; F78-H96 CarbonylContact C-O 3.55Å; F78-H96 WeakPolarHBondContact CA-O 3.1Å; F78-H96 WeakPolarHBondContact CB-O 3.48Å; F78-G99 VanDerWaalsContact CD1-CA 3.48Å; F78-G99 VanDerWaalsContact CD2-CA 3.41Å; F78-A115 HydrophobicContact CE2-CB 4.31Å; F78-A115 HydrophobicContact CZ-CB 4.18Å; F78-T117 HydrophobicContact CE1-CG2 4.48Å; F78-T117 HydrophobicContact CE2-CG2 4.43Å; F78-T117 HydrophobicContact CZ-CG2 3.6Å |
| 79 | G | 84.6 | Confident | 86.6 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 9% | 0.093 | 29% | 0.289 | C | S | . | . | S | Bend | trans | 88.1 | -163 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G62 N81 C82 H96 | G62-G79 PolarHBondContact N-O 3.46Å; G79-N81 PolarHBondContact O-N 3.29Å; G79-C82 PolarHBondContact O-N 3.42Å; G79-H96 PolarHBondContact N-O 3.29Å; G79-H96 VanDerWaalsContact N-O 3.09Å |
| 80 | L | 84.1 | Confident | 86.1 | Confident | 66 Ų | 66 | 55.7 Ų | 55.7 | 35% | 0.346 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -65.3 | 126.9 | -178.7 | -160.8 | 81.7 | 0 | 0 | 0 | 110 | L41 C59 P61 C82 S83 | L41-L80 HydrophobicContact CD1-CD1 3.73Å; L41-L80 HydrophobicContact CD2-CD1 4.06Å; L41-L80 HydrophobicContact CG-CD1 4.47Å; C59-L80 VanDerWaalsContact O-CD1 3.27Å; C59-L80 WeakPolarHBondContact O-CD1 3.17Å; P61-L80 HydrophobicContact CG-CD1 4.1Å; L80-C82 PolarHBondContact O-N 3.49Å; L80-C82 VanDerWaalsContact O-N 3.09Å; L80-S83 WeakPolarHBondContact O-CB 3.42Å; L80-S83 PolarHBondContact O-N 2.76Å; L80-S83 PolarHBondContact O-OG 2.74Å |
| 81 | N | 81.2 | Confident | 85.8 | Confident | 96 Ų | 96 | 59.3 Ų | 59.3 | 51% | 0.513 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | 53.5 | 21.9 | -173.5 | -63.7 | -27.4 | 0 | 0 | 0 | 114.6 | G79 S83 | G79-N81 PolarHBondContact O-N 3.29Å; N81-S83 PolarHBondContact O-N 2.75Å |
| 82 | C | 86.6 | Confident | 85.5 | Confident | 17 Ų | 17 | 58.4 Ų | 58.4 | 12% | 0.115 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | 57.9 | 29.8 | -177.9 | -43.6 | 0 | 0 | 0 | 0 | 113.7 | C73 F78 G79 L80 Q84 | C73-C82 WeakPolarHBondContact CA-SG 3.14Å; C73-C82 HydrophobicContact CB-CB 3.58Å; C73-C82 WeakPolarHBondContact CB-SG 3.15Å; C73-C82 WeakPolarHBondContact SG-CA 3.23Å; C73-C82 WeakPolarHBondContact SG-CB 3.49Å; C73-C82 CovalentContact SG-SG 2.02Å; C73-C82 PolarHBondContact SG-SG 3.47Å; F78-C82 CarbonylContact O-C 3.57Å; G79-C82 PolarHBondContact O-N 3.42Å; L80-C82 PolarHBondContact O-N 3.49Å; L80-C82 VanDerWaalsContact O-N 3.09Å; C82-Q84 PolarHBondContact O-N 2.71Å |
| 83 | S | 84.3 | Confident | 85.2 | Confident | 90 Ų | 90 | 58.7 Ų | 58.7 | 63% | 0.629 | 33% | 0.331 | S | S | * | . | trans | -77.5 | -15.4 | -172.6 | 54.7 | 0 | 0 | 0 | 0 | 114.7 | L80 N81 | L80-S83 WeakPolarHBondContact O-CB 3.42Å; L80-S83 PolarHBondContact O-N 2.76Å; L80-S83 PolarHBondContact O-OG 2.74Å; N81-S83 PolarHBondContact O-N 2.75Å | ||
| 84 | Q | 85.8 | Confident | 85.1 | Confident | 89 Ų | 89 | 58.8 Ų | 58.8 | 42% | 0.416 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 135.1 | -179.2 | -58.5 | -154.6 | 4.5 | 0 | 0 | 111.5 | T77 F78 C82 T117 | T77-Q84 CarbonylContact C-O 3.45Å; T77-Q84 WeakPolarHBondContact CA-O 3.14Å; F78-Q84 HydrophobicContact CD1-CB 3.94Å; F78-Q84 HydrophobicContact CD2-CB 4.17Å; F78-Q84 HydrophobicContact CE1-CB 3.62Å; F78-Q84 HydrophobicContact CE2-CB 3.85Å; F78-Q84 HydrophobicContact CE2-CG 4.36Å; F78-Q84 HydrophobicContact CG-CB 4.21Å; F78-Q84 HydrophobicContact CZ-CB 3.56Å; F78-Q84 HydrophobicContact CZ-CG 4.35Å; F78-Q84 PolarHBondContact N-O 2.73Å; F78-Q84 WeakPolarHBondContact O-CB 3.3Å; F78-Q84 PolarHBondContact O-N 3.28Å; F78-Q84 VanDerWaalsContact O-N 3.07Å; C82-Q84 PolarHBondContact O-N 2.71Å; Q84-T117 VanDerWaalsContact OE1-CG2 3.31Å |
| 85 | N | 88.5 | Confident | 85.1 | Confident | 111 Ų | 111 | 57.9 Ų | 57.9 | 59% | 0.594 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 144.4 | 175.6 | -69.1 | -22.6 | 0 | 0 | 0 | 111.2 | F78 | F78-N85 WeakPolarHBondContact CE1-O 3.39Å |
| 86 | C | 87.7 | Confident | 85.2 | Confident | 4 Ų | 4 | 56 Ų | 56 | 3% | 0.027 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 137.6 | 171.9 | -153.6 | 0 | 0 | 0 | 0 | 110.8 | G76 C88 N92 C94 | G76-C86 VanDerWaalsContact O-CB 3.24Å; G76-C86 WeakPolarHBondContact O-CB 3.37Å; G76-C86 PolarHBondContact O-N 3.09Å; C86-C88 VanDerWaalsContact SG-SG 3.61Å; C86-N92 VanDerWaalsContact CB-OD1 3.24Å; C86-N92 WeakPolarHBondContact CB-OD1 3.26Å; C86-N92 PolarHBondContact O-ND2 3.06Å; C86-N92 PolarHBondContact O-OD1 2.86Å; C86-N92 PolarHBondContact SG-O 2.8Å; C86-C94 VanDerWaalsContact CA-SG 3.57Å; C86-C94 HydrophobicContact CB-CB 4.34Å; C86-C94 WeakPolarHBondContact CB-SG 3.49Å; C86-C94 WeakPolarHBondContact SG-CB 3.48Å; C86-C94 PolarHBondContact SG-N 2.77Å; C86-C94 CovalentContact SG-SG 2.03Å; C86-C94 PolarHBondContact SG-SG 2.84Å |
| 87 | N | 89.5 | Confident | 85.1 | Confident | 42 Ų | 42 | 58.9 Ų | 58.9 | 23% | 0.225 | 32% | 0.32 | C | S | . | . | trans | -122.1 | 43.7 | 176.9 | -62.4 | -43.2 | 0 | 0 | 0 | 111 | N92 G108 F111 C116 | N87-N92 PolarHBondContact N-OD1 3.49Å; N87-G108 PolarHBondContact O-N 3.41Å; N87-F111 HydrophobicContact CB-CB 4.25Å; N87-F111 HydrophobicContact CB-CD1 4.12Å; N87-F111 HydrophobicContact CB-CD2 3.67Å; N87-F111 HydrophobicContact CB-CE1 4.4Å; N87-F111 HydrophobicContact CB-CE2 3.98Å; N87-F111 HydrophobicContact CB-CG 3.74Å; N87-F111 HydrophobicContact CB-CZ 4.33Å; N87-F111 WeakPolarHBondContact ND2-CD1 3.43Å; N87-F111 WeakPolarHBondContact ND2-CE1 3.31Å; N87-C116 HydrophobicContact CB-CB 4.01Å; N87-C116 WeakPolarHBondContact CB-O 3.39Å; N87-C116 PolarHBondContact ND2-O 3.33Å | ||
| 88 | C | 86.1 | Confident | 84.6 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.02 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 142.6 | -175.3 | -64.1 | 0 | 0 | 0 | 0 | 111.2 | C86 N92 C101 N105 K106 | C86-C88 VanDerWaalsContact SG-SG 3.61Å; C88-N92 PolarHBondContact N-OD1 2.87Å; C88-N92 WeakPolarHBondContact O-CA 3.42Å; C88-N92 WeakPolarHBondContact O-CB 3.26Å; C88-N92 PolarHBondContact O-N 2.84Å; C88-N92 PolarHBondContact O-OD1 3.09Å; C88-C101 HydrophobicContact CB-CB 3.88Å; C88-C101 WeakPolarHBondContact CB-SG 3.5Å; C88-C101 WeakPolarHBondContact SG-CA 3.15Å; C88-C101 WeakPolarHBondContact SG-CB 3.32Å; C88-C101 CovalentContact SG-SG 2.03Å; C88-C101 PolarHBondContact SG-SG 3.49Å; C88-N105 HydrophobicContact CB-CB 4.11Å; C88-K106 CarbonylContact C-O 3.53Å; C88-K106 WeakPolarHBondContact CA-O 3.5Å |
| 89 | E | 81.7 | Confident | 84.3 | Confident | 106 Ų | 106 | 60.5 Ų | 60.5 | 50% | 0.495 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 146.5 | 177.9 | -73.7 | 177.2 | -164.8 | 0 | 0 | 110.5 | N105 K106 | E89-N105 CarbonylContact O-C 3.59Å; E89-N105 WeakPolarHBondContact O-CA 3.12Å; E89-N105 PolarHBondContact O-OD1 2.77Å; E89-K106 PolarHBondContact N-O 3.24Å; E89-K106 PolarHBondContact O-N 2.53Å |
| 90 | P | 77.9 | Confident | 84.2 | Confident | 116 Ų | 116 | 61.4 Ų | 61.4 | 75% | 0.753 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -89 | -18.3 | 7.8 | 31.7 | -33.4 | 0 | 0 | 0 | 116.2 | N105 | P90-N105 VanDerWaalsContact CD-OD1 3.27Å; P90-N105 WeakPolarHBondContact CD-OD1 3.13Å |
| 91 | Q | 80.9 | Confident | 84.1 | Confident | 140 Ų | 140 | 59.2 Ų | 59.2 | 65% | 0.654 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 5.1 | -168.2 | -67.7 | 176.5 | -11.6 | 0 | 0 | 114.8 | L93 N105 | Q91-L93 HydrophobicContact CB-CD1 3.68Å; Q91-L93 HydrophobicContact CB-CG 4.4Å; Q91-L93 PolarHBondContact O-N 3.1Å; Q91-N105 PolarHBondContact N-OD1 3.38Å |
| 92 | N | 82.9 | Confident | 84 | Confident | 68 Ų | 68 | 58.8 Ų | 58.8 | 36% | 0.364 | 32% | 0.318 | S | S | . | . | trans | 48.9 | 37.4 | -176 | -149 | 24.8 | 0 | 0 | 0 | 116.2 | C86 N87 C88 | C86-N92 VanDerWaalsContact CB-OD1 3.24Å; C86-N92 WeakPolarHBondContact CB-OD1 3.26Å; C86-N92 PolarHBondContact O-ND2 3.06Å; C86-N92 PolarHBondContact O-OD1 2.86Å; C86-N92 PolarHBondContact SG-O 2.8Å; N87-N92 PolarHBondContact N-OD1 3.49Å; C88-N92 PolarHBondContact N-OD1 2.87Å; C88-N92 WeakPolarHBondContact O-CA 3.42Å; C88-N92 WeakPolarHBondContact O-CB 3.26Å; C88-N92 PolarHBondContact O-N 2.84Å; C88-N92 PolarHBondContact O-OD1 3.09Å | ||
| 93 | L | 81.9 | Confident | 83.6 | Confident | 51 Ų | 51 | 61.2 Ų | 61.2 | 27% | 0.267 | 35% | 0.346 | S | S | . | . | trans | -98 | 119.2 | 177.2 | -80.1 | 150 | 0 | 0 | 0 | 111 | Q91 C101 I102 | Q91-L93 HydrophobicContact CB-CD1 3.68Å; Q91-L93 HydrophobicContact CB-CG 4.4Å; Q91-L93 PolarHBondContact O-N 3.1Å; L93-C101 WeakPolarHBondContact O-CA 3.27Å; L93-I102 PolarHBondContact O-N 2.96Å | ||
| 94 | C | 85.7 | Confident | 83.1 | Confident | 12 Ų | 12 | 60.4 Ų | 60.4 | 8% | 0.081 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | -137 | 165.6 | 169.5 | 49.3 | 0 | 0 | 0 | 0 | 111.6 | C86 H96 G99 V100 I102 | C86-C94 VanDerWaalsContact CA-SG 3.57Å; C86-C94 HydrophobicContact CB-CB 4.34Å; C86-C94 WeakPolarHBondContact CB-SG 3.49Å; C86-C94 WeakPolarHBondContact SG-CB 3.48Å; C86-C94 PolarHBondContact SG-N 2.77Å; C86-C94 CovalentContact SG-SG 2.03Å; C86-C94 PolarHBondContact SG-SG 2.84Å; C94-H96 PolarHBondContact O-N 3.22Å; C94-G99 VanDerWaalsContact CB-O 3.25Å; C94-G99 WeakPolarHBondContact CB-O 3.23Å; C94-V100 CarbonylContact C-O 3.47Å; C94-V100 VanDerWaalsContact CA-O 3.24Å; C94-V100 WeakPolarHBondContact CA-O 3.33Å; C94-V100 VanDerWaalsContact CB-O 3.31Å; C94-V100 WeakPolarHBondContact CB-O 3.46Å; C94-I102 VanDerWaalsContact C-CD1 3.45Å |
| 95 | N | 87 | Confident | 82.8 | Confident | 50 Ų | 50 | 56.8 Ų | 56.8 | 27% | 0.267 | 34% | 0.335 | S | S | . | . | trans | -66.9 | 123.1 | 177.7 | -179.7 | -45 | 0 | 0 | 0 | 110.4 | F78 I97 N98 G99 V100 I102 | F78-N95 WeakPolarHBondContact CB-O 3.45Å; N95-I97 PolarHBondContact O-N 2.84Å; N95-I97 VanDerWaalsContact O-N 3.09Å; N95-I97 WeakPolarHBondContact OD1-CB 3.44Å; N95-I97 PolarHBondContact OD1-N 2.71Å; N95-N98 VanDerWaalsContact CB-OD1 3.22Å; N95-N98 WeakPolarHBondContact CB-OD1 3.48Å; N95-N98 PolarHBondContact O-N 3.39Å; N95-G99 WeakPolarHBondContact O-CA 3.37Å; N95-G99 PolarHBondContact O-N 3.13Å; N95-V100 PolarHBondContact N-O 3.48Å; N95-I102 HydrophobicContact CB-CD1 4.08Å; N95-I102 HydrophobicContact CB-CG1 4.23Å | ||
| 96 | H | 85.9 | Confident | 82.4 | Confident | 56 Ų | 56 | 59.2 Ų | 59.2 | 26% | 0.259 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -22.1 | -177.3 | 57.8 | -86.4 | 0 | 0 | 0 | 113.7 | G62 C73 F78 G79 C94 | G62-H96 WeakPolarHBondContact CA-O 3.19Å; G62-H96 PolarHBondContact O-CD2 3.21Å; G62-H96 VanDerWaalsContact O-CD2 3.3Å; C73-H96 HydrophobicContact CB-CB 3.88Å; F78-H96 CarbonylContact C-O 3.55Å; F78-H96 WeakPolarHBondContact CA-O 3.1Å; F78-H96 WeakPolarHBondContact CB-O 3.48Å; G79-H96 PolarHBondContact N-O 3.29Å; G79-H96 VanDerWaalsContact N-O 3.09Å; C94-H96 PolarHBondContact O-N 3.22Å |
| 97 | I | 83.4 | Confident | 82.1 | Confident | 74 Ų | 74 | 61 Ų | 61 | 38% | 0.379 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -49.8 | 178.4 | -57.4 | 177.1 | 0 | 0 | 0 | 111 | Y63 N95 | Y63-I97 HydrophobicContact CE2-CD1 4.35Å; Y63-I97 HydrophobicContact CE2-CG1 4.46Å; N95-I97 PolarHBondContact O-N 2.84Å; N95-I97 VanDerWaalsContact O-N 3.09Å; N95-I97 WeakPolarHBondContact OD1-CB 3.44Å; N95-I97 PolarHBondContact OD1-N 2.71Å |
| 98 | N | 80.5 | Confident | 81.8 | Confident | 70 Ų | 70 | 59 Ų | 59 | 37% | 0.374 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | 0.4 | -164.1 | 68.4 | 10.8 | 0 | 0 | 0 | 115.5 | N95 V100 A115 | N95-N98 VanDerWaalsContact CB-OD1 3.22Å; N95-N98 WeakPolarHBondContact CB-OD1 3.48Å; N95-N98 PolarHBondContact O-N 3.39Å; N98-V100 PolarHBondContact O-N 3.44Å; N98-V100 WeakPolarHBondContact OD1-CB 3.06Å; N98-V100 VanDerWaalsContact OD1-CG2 3.31Å; N98-V100 WeakPolarHBondContact OD1-CG2 3.47Å; N98-V100 PolarHBondContact OD1-N 3.33Å; N98-V100 VanDerWaalsContact OD1-N 3.14Å; N98-A115 WeakPolarHBondContact O-CB 3.35Å |
| 99 | G | 85.2 | Confident | 81.6 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 38% | 0.377 | C | S | . | . | trans | 73.6 | 5.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | F78 C94 N95 C101 A115 | F78-G99 VanDerWaalsContact CD1-CA 3.48Å; F78-G99 VanDerWaalsContact CD2-CA 3.41Å; C94-G99 VanDerWaalsContact CB-O 3.25Å; C94-G99 WeakPolarHBondContact CB-O 3.23Å; N95-G99 WeakPolarHBondContact O-CA 3.37Å; N95-G99 PolarHBondContact O-N 3.13Å; G99-C101 PolarHBondContact O-N 2.78Å; G99-A115 WeakPolarHBondContact O-CA 3.47Å | ||
| 100 | V | 81.9 | Confident | 81.6 | Confident | 29 Ų | 29 | 65.1 Ų | 65.1 | 18% | 0.176 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 129.1 | 178.3 | 179.1 | 0 | 0 | 0 | 0 | 109.9 | C94 N95 N98 I102 A114 | C94-V100 CarbonylContact C-O 3.47Å; C94-V100 VanDerWaalsContact CA-O 3.24Å; C94-V100 WeakPolarHBondContact CA-O 3.33Å; C94-V100 VanDerWaalsContact CB-O 3.31Å; C94-V100 WeakPolarHBondContact CB-O 3.46Å; N95-V100 PolarHBondContact N-O 3.48Å; N98-V100 PolarHBondContact O-N 3.44Å; N98-V100 WeakPolarHBondContact OD1-CB 3.06Å; N98-V100 VanDerWaalsContact OD1-CG2 3.31Å; N98-V100 WeakPolarHBondContact OD1-CG2 3.47Å; N98-V100 PolarHBondContact OD1-N 3.33Å; N98-V100 VanDerWaalsContact OD1-N 3.14Å; V100-I102 PolarHBondContact O-N 2.83Å; V100-A114 WeakPolarHBondContact CA-O 3.36Å; V100-A114 WeakPolarHBondContact CG2-O 3.01Å |
| 101 | C | 82 | Confident | 81.9 | Confident | 19 Ų | 19 | 62.1 Ų | 62.1 | 13% | 0.128 | 35% | 0.345 | C | S | . | . | B | Isolated β-bridge | trans | -58.2 | 132.8 | 179.1 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | C88 L93 G99 N105 C116 | C88-C101 HydrophobicContact CB-CB 3.88Å; C88-C101 WeakPolarHBondContact CB-SG 3.5Å; C88-C101 WeakPolarHBondContact SG-CA 3.15Å; C88-C101 WeakPolarHBondContact SG-CB 3.32Å; C88-C101 CovalentContact SG-SG 2.03Å; C88-C101 PolarHBondContact SG-SG 3.49Å; L93-C101 WeakPolarHBondContact O-CA 3.27Å; G99-C101 PolarHBondContact O-N 2.78Å; C101-N105 HydrophobicContact CB-CB 3.98Å; C101-N105 WeakPolarHBondContact CB-O 3.16Å; C101-C116 PolarHBondContact SG-SG 3.23Å |
| 102 | I | 77.8 | Confident | 82 | Confident | 87 Ų | 87 | 56.6 Ų | 56.6 | 45% | 0.446 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -97.3 | 141.4 | -177.5 | -64.1 | 172.2 | 0 | 0 | 0 | 110.1 | L93 C94 N95 V100 N105 | L93-I102 PolarHBondContact O-N 2.96Å; C94-I102 VanDerWaalsContact C-CD1 3.45Å; N95-I102 HydrophobicContact CB-CD1 4.08Å; N95-I102 HydrophobicContact CB-CG1 4.23Å; V100-I102 PolarHBondContact O-N 2.83Å; I102-N105 PolarHBondContact O-ND2 2.75Å |
| 103 | G | 79.1 | Confident | 81.6 | Confident | 69 Ų | 69 | 54.7 Ų | 54.7 | 71% | 0.711 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | -138.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | N105 | G103-N105 PolarHBondContact O-N 3.34Š|
| 104 | G | 73.8 | Confident | 81.1 | Confident | 72 Ų | 72 | 56.2 Ų | 56.2 | 74% | 0.742 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | 0.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 105 | N | 80.1 | Confident | 80.6 | Confident | 13 Ų | 13 | 56.4 Ų | 56.4 | 7% | 0.07 | 34% | 0.337 | C | S | . | . | trans | -71.8 | 143.6 | -177.4 | -64.2 | -73.8 | 0 | 0 | 0 | 112 | C88 E89 P90 Q91 C101 I102 G103 | C88-N105 HydrophobicContact CB-CB 4.11Å; E89-N105 CarbonylContact O-C 3.59Å; E89-N105 WeakPolarHBondContact O-CA 3.12Å; E89-N105 PolarHBondContact O-OD1 2.77Å; P90-N105 VanDerWaalsContact CD-OD1 3.27Å; P90-N105 WeakPolarHBondContact CD-OD1 3.13Å; Q91-N105 PolarHBondContact N-OD1 3.38Å; C101-N105 HydrophobicContact CB-CB 3.98Å; C101-N105 WeakPolarHBondContact CB-O 3.16Å; I102-N105 PolarHBondContact O-ND2 2.75Å; G103-N105 PolarHBondContact O-N 3.34Å | ||
| 106 | K | 80.3 | Confident | 80.5 | Confident | 163 Ų | 163 | 54.1 Ų | 54.1 | 71% | 0.709 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 162.8 | 176.6 | -64.5 | -179.6 | -177.6 | 175.9 | 0 | 110 | C88 E89 G108 | C88-K106 CarbonylContact C-O 3.53Å; C88-K106 WeakPolarHBondContact CA-O 3.5Å; E89-K106 PolarHBondContact N-O 3.24Å; E89-K106 PolarHBondContact O-N 2.53Å; K106-G108 PolarHBondContact O-N 3.36Å |
| 107 | C | 81 | Confident | 80.3 | Confident | 40 Ų | 40 | 54.4 Ų | 54.4 | 27% | 0.27 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 136.2 | 171.7 | -58.8 | 0 | 0 | 0 | 0 | 110.1 | F111 G113 C116 | C107-F111 HydrophobicContact CB-CB 4.31Å; C107-F111 WeakPolarHBondContact CB-O 3.4Å; C107-G113 PolarHBondContact SG-O 2.91Å; C107-G113 VanDerWaalsContact SG-O 3.41Å; C107-C116 WeakPolarHBondContact CA-SG 3.43Å; C107-C116 HydrophobicContact CB-CB 3.66Å; C107-C116 WeakPolarHBondContact CB-SG 3.45Å; C107-C116 VanDerWaalsContact SG-CA 3.51Å; C107-C116 WeakPolarHBondContact SG-CB 3.47Å; C107-C116 CovalentContact SG-SG 2.03Å; C107-C116 PolarHBondContact SG-SG 3.02Å |
| 108 | G | 83 | Confident | 80.1 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | trans | -55.4 | 158 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | N87 K106 D110 F111 | N87-G108 PolarHBondContact O-N 3.41Å; K106-G108 PolarHBondContact O-N 3.36Å; G108-D110 PolarHBondContact O-N 2.96Å; G108-F111 PolarHBondContact O-N 3.43Å | ||
| 109 | K | 81.3 | Confident | 80.2 | Confident | 171 Ų | 171 | 56.5 Ų | 56.5 | 74% | 0.743 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -30.9 | -168.9 | -68.6 | -179.8 | -178.5 | 174.5 | 0 | 114.5 | R120 | K109-R120 WeakPolarHBondContact O-CD 3.3Š|
| 110 | D | 81.9 | Confident | 80.3 | Confident | 65 Ų | 65 | 59.7 Ų | 59.7 | 35% | 0.348 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -7.2 | -179.8 | -62.1 | -56.7 | 0 | 0 | 0 | 113.6 | G108 I119 R120 K122 | G108-D110 PolarHBondContact O-N 2.96Å; D110-I119 WeakPolarHBondContact O-CA 3.48Å; D110-R120 PolarHBondContact O-N 3.37Å; D110-K122 IonicContact OD1-NZ 2.72Å |
| 111 | F | 84.4 | Confident | 80.5 | Confident | 53 Ų | 53 | 58.3 Ų | 58.3 | 23% | 0.232 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 155.2 | -171.1 | -59.3 | -82.6 | 0 | 0 | 0 | 113.4 | N87 C107 G108 C116 K118 I119 R120 | N87-F111 HydrophobicContact CB-CB 4.25Å; N87-F111 HydrophobicContact CB-CD1 4.12Å; N87-F111 HydrophobicContact CB-CD2 3.67Å; N87-F111 HydrophobicContact CB-CE1 4.4Å; N87-F111 HydrophobicContact CB-CE2 3.98Å; N87-F111 HydrophobicContact CB-CG 3.74Å; N87-F111 HydrophobicContact CB-CZ 4.33Å; N87-F111 WeakPolarHBondContact ND2-CD1 3.43Å; N87-F111 WeakPolarHBondContact ND2-CE1 3.31Å; C107-F111 HydrophobicContact CB-CB 4.31Å; C107-F111 WeakPolarHBondContact CB-O 3.4Å; G108-F111 PolarHBondContact O-N 3.43Å; F111-C116 HydrophobicContact CB-CB 4.2Å; F111-C116 WeakPolarHBondContact CB-O 2.99Å; F111-C116 WeakPolarHBondContact CD1-O 3.47Å; F111-K118 CarbonylContact C-O 3.53Å; F111-K118 VanDerWaalsContact CA-O 3.29Å; F111-K118 WeakPolarHBondContact CA-O 3.43Å; F111-I119 HydrophobicContact CD1-CG1 4.42Å; F111-I119 HydrophobicContact CE1-CG1 4.24Å; F111-R120 PolarHBondContact O-NE 2.88Å; F111-R120 VanDerWaalsContact O-NE 3.1Å |
| 112 | Y | 83.4 | Confident | 80.8 | Confident | 24 Ų | 24 | 60.8 Ų | 60.8 | 9% | 0.094 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 175.3 | 174.3 | 80.3 | -77.5 | 0 | 0 | 0 | 112.3 | C116 K118 I119 R120 F205 V207 V216 | Y112-C116 WeakPolarHBondContact O-CA 3Å; Y112-K118 HydrophobicContact CD1-CB 3.64Å; Y112-K118 WeakPolarHBondContact CD1-O 3.39Å; Y112-K118 HydrophobicContact CD2-CB 4.33Å; Y112-K118 HydrophobicContact CE1-CB 3.26Å; Y112-K118 HydrophobicContact CE1-CD 4.44Å; Y112-K118 HydrophobicContact CE1-CG 4.47Å; Y112-K118 HydrophobicContact CE2-CB 4Å; Y112-K118 HydrophobicContact CE2-CD 3.82Å; Y112-K118 HydrophobicContact CG-CB 4.16Å; Y112-K118 VanDerWaalsContact CZ-CB 3.46Å; Y112-K118 PolarHBondContact N-O 3.08Å; Y112-K118 WeakPolarHBondContact O-CB 3.44Å; Y112-K118 PolarHBondContact O-N 2.91Å; Y112-K118 VanDerWaalsContact O-N 3.15Å; Y112-I119 WeakPolarHBondContact CE1-O 3.3Å; Y112-R120 HydrophobicContact CD1-CB 4.42Å; Y112-R120 HydrophobicContact CD1-CG 3.64Å; Y112-R120 HydrophobicContact CG-CG 4.12Å; Y112-F205 HydrophobicContact CD1-CZ 4.21Å; Y112-F205 AromaticContact CE1-CE2 4Å; Y112-F205 HydrophobicContact CE1-CE2 4Å; Y112-F205 AromaticContact CE1-CZ 3.75Å; Y112-F205 HydrophobicContact CE1-CZ 3.75Å; Y112-F205 HydrophobicContact CE2-CE2 4.32Å; Y112-F205 AromaticContact CZ-CE2 3.73Å; Y112-F205 AromaticContact CZ-CZ 3.92Å; Y112-V207 HydrophobicContact CE2-CG1 4.23Å; Y112-V207 HydrophobicContact CE2-CG2 3.67Å; Y112-V216 HydrophobicContact CD2-CG1 4.32Å; Y112-V216 HydrophobicContact CD2-CG2 4.3Å; Y112-V216 HydrophobicContact CE2-CG2 4.49Å; Y112-V216 HydrophobicContact CG-CG1 4.3Å |
| 113 | G | 73.2 | Confident | 81.3 | Confident | 28 Ų | 28 | 56.8 Ų | 56.8 | 29% | 0.289 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 93.9 | 167.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | C107 A115 C116 | C107-G113 PolarHBondContact SG-O 2.91Å; C107-G113 VanDerWaalsContact SG-O 3.41Å; G113-A115 PolarHBondContact O-N 3.05Å; G113-C116 PolarHBondContact O-N 2.82Å; G113-C116 VanDerWaalsContact O-N 3.09Å |
| 114 | A | 72.6 | Confident | 81.7 | Confident | 84 Ų | 84 | 56.9 Ų | 56.9 | 69% | 0.694 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -37.7 | -174 | 0 | 0 | 0 | 0 | 0 | 113.1 | V100 | V100-A114 WeakPolarHBondContact CA-O 3.36Å; V100-A114 WeakPolarHBondContact CG2-O 3.01Å |
| 115 | A | 75.7 | Confident | 82.4 | Confident | 16 Ų | 16 | 58.8 Ų | 58.8 | 13% | 0.132 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | 7.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | F78 N98 G99 G113 T117 | F78-A115 HydrophobicContact CE2-CB 4.31Å; F78-A115 HydrophobicContact CZ-CB 4.18Å; N98-A115 WeakPolarHBondContact O-CB 3.35Å; G99-A115 WeakPolarHBondContact O-CA 3.47Å; G113-A115 PolarHBondContact O-N 3.05Å; A115-T117 HydrophobicContact CB-CG2 4.01Å; A115-T117 PolarHBondContact O-N 2.95Å; A115-T117 VanDerWaalsContact O-N 3.15Å |
| 116 | C | 84.4 | Confident | 82.9 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.007 | 32% | 0.316 | C | S | . | . | S | Bend | trans | 54.5 | 32.1 | -176.7 | -48.8 | 0 | 0 | 0 | 0 | 114.7 | N87 C101 C107 F111 Y112 G113 | N87-C116 HydrophobicContact CB-CB 4.01Å; N87-C116 WeakPolarHBondContact CB-O 3.39Å; N87-C116 PolarHBondContact ND2-O 3.33Å; C101-C116 PolarHBondContact SG-SG 3.23Å; C107-C116 WeakPolarHBondContact CA-SG 3.43Å; C107-C116 HydrophobicContact CB-CB 3.66Å; C107-C116 WeakPolarHBondContact CB-SG 3.45Å; C107-C116 VanDerWaalsContact SG-CA 3.51Å; C107-C116 WeakPolarHBondContact SG-CB 3.47Å; C107-C116 CovalentContact SG-SG 2.03Å; C107-C116 PolarHBondContact SG-SG 3.02Å; F111-C116 HydrophobicContact CB-CB 4.2Å; F111-C116 WeakPolarHBondContact CB-O 2.99Å; F111-C116 WeakPolarHBondContact CD1-O 3.47Å; Y112-C116 WeakPolarHBondContact O-CA 3Å; G113-C116 PolarHBondContact O-N 2.82Å; G113-C116 VanDerWaalsContact O-N 3.09Å |
| 117 | T | 80.5 | Confident | 83.5 | Confident | 62 Ų | 62 | 53.6 Ų | 53.6 | 38% | 0.38 | 28% | 0.284 | S | S | . | . | trans | -93.1 | -18.1 | -179.2 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | F78 Q84 A115 | F78-T117 HydrophobicContact CE1-CG2 4.48Å; F78-T117 HydrophobicContact CE2-CG2 4.43Å; F78-T117 HydrophobicContact CZ-CG2 3.6Å; Q84-T117 VanDerWaalsContact OE1-CG2 3.31Å; A115-T117 HydrophobicContact CB-CG2 4.01Å; A115-T117 PolarHBondContact O-N 2.95Å; A115-T117 VanDerWaalsContact O-N 3.15Å | ||
| 118 | K | 80.3 | Confident | 83.9 | Confident | 103 Ų | 103 | 61.1 Ų | 61.1 | 45% | 0.448 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 137 | -177.3 | -57.2 | -173.4 | 177.8 | -173.1 | 0 | 109.8 | F111 Y112 | F111-K118 CarbonylContact C-O 3.53Å; F111-K118 VanDerWaalsContact CA-O 3.29Å; F111-K118 WeakPolarHBondContact CA-O 3.43Å; Y112-K118 HydrophobicContact CD1-CB 3.64Å; Y112-K118 WeakPolarHBondContact CD1-O 3.39Å; Y112-K118 HydrophobicContact CD2-CB 4.33Å; Y112-K118 HydrophobicContact CE1-CB 3.26Å; Y112-K118 HydrophobicContact CE1-CD 4.44Å; Y112-K118 HydrophobicContact CE1-CG 4.47Å; Y112-K118 HydrophobicContact CE2-CB 4Å; Y112-K118 HydrophobicContact CE2-CD 3.82Å; Y112-K118 HydrophobicContact CG-CB 4.16Å; Y112-K118 VanDerWaalsContact CZ-CB 3.46Å; Y112-K118 PolarHBondContact N-O 3.08Å; Y112-K118 WeakPolarHBondContact O-CB 3.44Å; Y112-K118 PolarHBondContact O-N 2.91Å; Y112-K118 VanDerWaalsContact O-N 3.15Å |
| 119 | I | 83.4 | Confident | 84.3 | Confident | 85 Ų | 85 | 62.4 Ų | 62.4 | 44% | 0.436 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 127 | -178.8 | -56.4 | 171.1 | 0 | 0 | 0 | 109.2 | D110 F111 Y112 I149 | D110-I119 WeakPolarHBondContact O-CA 3.48Å; F111-I119 HydrophobicContact CD1-CG1 4.42Å; F111-I119 HydrophobicContact CE1-CG1 4.24Å; Y112-I119 WeakPolarHBondContact CE1-O 3.3Å; I119-I149 HydrophobicContact CG2-CG2 4.09Å |
| 120 | R | 85.5 | Confident | 84.6 | Confident | 68 Ų | 68 | 59.8 Ų | 59.8 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 145.8 | 176.1 | -70.2 | -179.7 | -178.7 | -112.4 | 3.4 | 110.7 | K109 D110 F111 Y112 K122 F205 V216 E217 V219 | K109-R120 WeakPolarHBondContact O-CD 3.3Å; D110-R120 PolarHBondContact O-N 3.37Å; F111-R120 PolarHBondContact O-NE 2.88Å; F111-R120 VanDerWaalsContact O-NE 3.1Å; Y112-R120 HydrophobicContact CD1-CB 4.42Å; Y112-R120 HydrophobicContact CD1-CG 3.64Å; Y112-R120 HydrophobicContact CG-CG 4.12Å; R120-K122 PolarHBondContact O-N 3.3Å; R120-F205 HydrophobicContact CB-CE1 4.29Å; R120-F205 HydrophobicContact CB-CZ 4.47Å; R120-V216 HydrophobicContact CG-CG1 4.44Å; R120-E217 PolarHBondContact NH1-O 3.29Å; R120-V219 HydrophobicContact CB-CG2 3.83Å |
| 121 | T | 87 | Confident | 84.6 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 127 | 178.3 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | F143 Y148 I149 S151 I154 A203 F205 G218 V219 | T121-F143 HydrophobicContact CG2-CD2 4.42Å; T121-F143 HydrophobicContact CG2-CE2 4.14Å; T121-Y148 HydrophobicContact CG2-CD1 4.08Å; T121-I149 CarbonylContact C-O 3.57Å; T121-I149 VanDerWaalsContact CA-O 3.22Å; T121-I149 WeakPolarHBondContact CA-O 3.25Å; T121-S151 PolarHBondContact OG1-N 2.86Å; T121-S151 PolarHBondContact OG1-O 2.86Å; T121-I154 HydrophobicContact CG2-CD1 4.15Å; T121-I154 HydrophobicContact CG2-CG1 4.4Å; T121-A203 HydrophobicContact CG2-CB 3.96Å; T121-F205 VanDerWaalsContact N-CE1 3.28Å; T121-F205 VanDerWaalsContact OG1-CD1 3.24Å; T121-F205 WeakPolarHBondContact OG1-CD1 3.29Å; T121-F205 WeakPolarHBondContact OG1-CG 3.31Å; T121-G218 CarbonylContact O-C 3.6Å; T121-G218 VanDerWaalsContact O-CA 3.23Å; T121-G218 WeakPolarHBondContact O-CA 3.5Å; T121-V219 PolarHBondContact O-N 3.12Å |
| 122 | K | 87.6 | Confident | 84.2 | Confident | 70 Ų | 70 | 59 Ų | 59 | 30% | 0.304 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 131.4 | -176.4 | -176.3 | 175 | -175.5 | 172.1 | 0 | 111 | D110 R120 Y148 I149 V219 | D110-K122 IonicContact OD1-NZ 2.72Å; R120-K122 PolarHBondContact O-N 3.3Å; K122-Y148 CarbonylContact O-C 3.58Å; K122-Y148 VanDerWaalsContact O-CA 3.29Å; K122-Y148 WeakPolarHBondContact O-CA 3.4Å; K122-I149 PolarHBondContact N-O 2.87Å; K122-I149 PolarHBondContact O-N 3.45Å; K122-V219 HydrophobicContact CB-CB 3.91Å; K122-V219 HydrophobicContact CB-CG2 4.39Å; K122-V219 HydrophobicContact CD-CB 4.04Å; K122-V219 HydrophobicContact CD-CG1 3.91Å; K122-V219 HydrophobicContact CG-CB 3.87Å; K122-V219 HydrophobicContact CG-CG1 4.12Å |
| 123 | M | 89.1 | Confident | 83.7 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.02 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 131.7 | 170.7 | -165.2 | 168.2 | 84.4 | 0 | 0 | 109.8 | F125 P127 W140 Y148 V201 | M123-F125 WeakPolarHBondContact CE-O 3.27Å; M123-P127 HydrophobicContact CE-CB 4.45Å; M123-W140 HydrophobicContact CE-CB 4.23Å; M123-W140 HydrophobicContact SD-CB 4.17Å; M123-Y148 HydrophobicContact CB-CD1 3.89Å; M123-Y148 HydrophobicContact CB-CE1 3.52Å; M123-Y148 HydrophobicContact CG-CD1 4.29Å; M123-Y148 HydrophobicContact CG-CE1 3.79Å; M123-Y148 HydrophobicContact CG-CE2 4.14Å; M123-Y148 HydrophobicContact SD-CE1 4.09Å; M123-Y148 HydrophobicContact SD-CE2 4.26Å; M123-Y148 PolarHBondContact SD-OH 3.08Å; M123-V201 HydrophobicContact CE-CB 4.26Å |
| 124 | I | 87.2 | Confident | 83.8 | Confident | 70 Ų | 70 | 60 Ų | 60 | 36% | 0.359 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -75 | -39.1 | -173.5 | -59.8 | 168.7 | 0 | 0 | 0 | 111.3 | Y147 I149 | I124-Y147 WeakPolarHBondContact CG1-O 3.42Å; I124-Y147 PolarHBondContact N-O 3.25Å; I124-I149 HydrophobicContact CD1-CD1 4.28Å; I124-I149 HydrophobicContact CD1-CG1 3.95Å; I124-I149 HydrophobicContact CG1-CD1 3.99Å; I124-I149 HydrophobicContact CG1-CG1 3.89Å |
| 125 | F | 88.3 | Confident | 84.1 | Confident | 113 Ų | 113 | 56.2 Ų | 56.2 | 50% | 0.496 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -106 | 155.9 | -174.9 | -59.4 | -73.3 | 0 | 0 | 0 | 111.8 | M123 Y147 | M123-F125 WeakPolarHBondContact CE-O 3.27Å; F125-Y147 AromaticContact CD2-CD1 3.89Å; F125-Y147 HydrophobicContact CD2-CD1 3.89Å; F125-Y147 HydrophobicContact CD2-CE1 4.47Å; F125-Y147 HydrophobicContact CE2-CD1 4.3Å |
| 126 | P | 90.9 | Very high | 84.6 | Confident | 60 Ų | 60 | 55.5 Ų | 55.5 | 39% | 0.39 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 155.8 | 171.8 | 28.9 | -34.1 | 0 | 0 | 0 | 112.1 | P222 | P126-P222 WeakPolarHBondContact CA-O 3.03Å; P126-P222 HydrophobicContact CB-CB 4.31Å; P126-P222 WeakPolarHBondContact CB-O 3.25Å |
| 127 | P | 93 | Very high | 84.8 | Confident | 6 Ų | 6 | 56.2 Ų | 56.2 | 4% | 0.039 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 149.9 | 172.3 | 30.2 | -35.7 | 0 | 0 | 0 | 111.1 | M123 I138 W140 F199 V201 | M123-P127 HydrophobicContact CE-CB 4.45Å; P127-I138 HydrophobicContact CB-CG2 4.07Å; P127-W140 HydrophobicContact CB-CB 4.45Å; P127-F199 HydrophobicContact CG-CB 4.17Å; P127-F199 WeakPolarHBondContact CG-O 3.29Å; P127-V201 HydrophobicContact CB-CG2 3.93Å; P127-V201 HydrophobicContact CG-CG2 4.07Å |
| 128 | R | 90.2 | Very high | 85.3 | Confident | 199 Ų | 199 | 53.3 Ų | 53.3 | 75% | 0.751 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 131.4 | 176.1 | -71.5 | -177.9 | -179.5 | -178.7 | 0.8 | 109.9 | I138 S139 | R128-I138 WeakPolarHBondContact O-CA 3.33Å; R128-S139 WeakPolarHBondContact CB-OG 3.43Å; R128-S139 PolarHBondContact N-O 3.43Å; R128-S139 PolarHBondContact O-N 3.16Å; R128-S139 PolarHBondContact O-OG 3.1Å |
| 129 | V | 91.1 | Very high | 85.8 | Confident | 29 Ų | 29 | 49.5 Ų | 49.5 | 18% | 0.176 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 130.6 | -177.1 | -169.3 | 0 | 0 | 0 | 0 | 110.6 | L136 H137 I138 F199 L227 | V129-L136 HydrophobicContact CG1-CB 4.28Å; V129-H137 VanDerWaalsContact CA-O 3.22Å; V129-H137 WeakPolarHBondContact CA-O 3.49Å; V129-I138 HydrophobicContact CG1-CG1 4.21Å; V129-I138 HydrophobicContact CG2-CG1 4.21Å; V129-I138 HydrophobicContact CG2-CG2 4.39Å; V129-F199 HydrophobicContact CG1-CD2 4.04Å; V129-F199 HydrophobicContact CG1-CE2 4.05Å; V129-F199 HydrophobicContact CG2-CB 4.32Å; V129-F199 HydrophobicContact CG2-CD2 3.86Å; V129-F199 HydrophobicContact CG2-CG 4.41Å; V129-L227 HydrophobicContact CB-CD2 4.49Å; V129-L227 HydrophobicContact CG1-CB 4.47Å; V129-L227 HydrophobicContact CG1-CD2 4.08Å |
| 130 | Y | 86.3 | Confident | 86.2 | Confident | 115 Ų | 115 | 45.7 Ų | 45.7 | 45% | 0.451 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 161.5 | 176.2 | 66.2 | -85.6 | 0 | 0 | 0 | 111.7 | L136 H137 | Y130-L136 CarbonylContact O-C 3.51Å; Y130-L136 WeakPolarHBondContact O-CA 3.37Å; Y130-H137 HydrophobicContact CD1-CB 3.84Å; Y130-H137 HydrophobicContact CD2-CB 4.11Å; Y130-H137 HydrophobicContact CE1-CB 3.37Å; Y130-H137 HydrophobicContact CE2-CB 3.69Å; Y130-H137 AromaticContact CE2-CG 3.8Å; Y130-H137 HydrophobicContact CG-CB 4.18Å; Y130-H137 AromaticContact CZ-CG 3.58Å; Y130-H137 AromaticContact CZ-ND1 3.87Å; Y130-H137 PolarHBondContact N-O 2.87Å; Y130-H137 VanDerWaalsContact N-O 3.1Å; Y130-H137 PolarHBondContact O-N 2.75Å; Y130-H137 PolarHBondContact OH-ND1 2.75Å |
| 131 | S | 82.2 | Confident | 86.4 | Confident | 40 Ų | 40 | 43.6 Ų | 43.6 | 28% | 0.28 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 139.2 | -177.7 | -172.7 | 0 | 0 | 0 | 0 | 112.5 | S135 | S131-S135 WeakPolarHBondContact CA-O 3.27Å; S131-S135 PolarHBondContact OG-O 2.79Å |
| 132 | D | 77 | Confident | 86.3 | Confident | 61 Ų | 61 | 44.5 Ų | 44.5 | 33% | 0.326 | 22% | 0.218 | S | C | . | . | trans | -108.7 | 23.7 | 176.7 | 70.1 | -8.1 | 0 | 0 | 0 | 113.5 | E134 S135 H137 K187 | D132-E134 PolarHBondContact O-N 2.97Å; D132-E134 PolarHBondContact OD1-N 3.16Å; D132-E134 VanDerWaalsContact OD1-N 3.14Å; D132-S135 PolarHBondContact N-O 3.39Å; D132-S135 WeakPolarHBondContact OD1-CA 3.24Å; D132-S135 PolarHBondContact OD1-N 2.69Å; D132-S135 VanDerWaalsContact OD1-O 3.06Å; D132-S135 PolarHBondContact OD1-OG 2.88Å; D132-S135 PolarHBondContact OD2-OG 2.9Å; D132-H137 IonicContact OD2-CD2 2.96Å; D132-H137 IonicContact OD2-NE2 3.88Å; D132-H137 PolarHBondContact OD2-NE2 3.3Å; D132-K187 IonicContact OD2-NZ 2.87Å; D132-K187 PolarHBondContact OD2-NZ 2.91Å; D132-K187 VanDerWaalsContact OD2-NZ 3.15Å | ||
| 133 | C | 72.9 | Confident | 86 | Confident | 12 Ų | 12 | 44 Ų | 44 | 8% | 0.081 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 71.2 | -13.8 | -173 | -121.8 | 0 | 0 | 0 | 0 | 115 | C231 N255 | C133-C231 WeakPolarHBondContact CB-SG 3.41Å; C133-C231 PolarHBondContact O-SG 2.88Å; C133-C231 WeakPolarHBondContact SG-CA 3.28Å; C133-C231 WeakPolarHBondContact SG-CB 3.26Å; C133-C231 CovalentContact SG-SG 2.03Å; C133-C231 PolarHBondContact SG-SG 3.05Å; C133-N255 PolarHBondContact SG-ND2 2.91Å; C133-N255 VanDerWaalsContact SG-ND2 3.45Å |
| 134 | E | 74.3 | Confident | 85.6 | Confident | 63 Ų | 63 | 47.3 Ų | 47.3 | 29% | 0.294 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -119 | -28.5 | 178.6 | -67.6 | -167.4 | 175.8 | 0 | 0 | 113.6 | D132 S257 | D132-E134 PolarHBondContact O-N 2.97Å; D132-E134 PolarHBondContact OD1-N 3.16Å; D132-E134 VanDerWaalsContact OD1-N 3.14Å; E134-S257 PolarHBondContact OE1-OG 2.98Å |
| 135 | S | 79.8 | Confident | 85.1 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 3% | 0.028 | 25% | 0.251 | C | S | . | . | trans | -150.6 | 164.8 | -174.6 | 59.9 | 0 | 0 | 0 | 0 | 112 | S131 D132 | S131-S135 WeakPolarHBondContact CA-O 3.27Å; S131-S135 PolarHBondContact OG-O 2.79Å; D132-S135 PolarHBondContact N-O 3.39Å; D132-S135 WeakPolarHBondContact OD1-CA 3.24Å; D132-S135 PolarHBondContact OD1-N 2.69Å; D132-S135 VanDerWaalsContact OD1-O 3.06Å; D132-S135 PolarHBondContact OD1-OG 2.88Å; D132-S135 PolarHBondContact OD2-OG 2.9Å | ||
| 136 | L | 85.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 127.5 | 166 | -63.4 | -179.9 | 0 | 0 | 0 | 108.8 | V129 Y130 F188 F197 F199 L227 I229 | V129-L136 HydrophobicContact CG1-CB 4.28Å; Y130-L136 CarbonylContact O-C 3.51Å; Y130-L136 WeakPolarHBondContact O-CA 3.37Å; L136-F188 HydrophobicContact CB-CB 4.23Å; L136-F188 HydrophobicContact CB-CD1 4.26Å; L136-F188 HydrophobicContact CD1-CD1 4.13Å; L136-F188 HydrophobicContact CG-CD1 4.48Å; L136-F188 PolarHBondContact N-O 2.56Å; L136-F188 PolarHBondContact O-N 3.45Å; L136-F197 HydrophobicContact CD1-CB 4.41Å; L136-F197 HydrophobicContact CD1-CD2 4.25Å; L136-F199 HydrophobicContact CD1-CE2 3.93Å; L136-F199 HydrophobicContact CD1-CZ 4.13Å; L136-L227 HydrophobicContact CD2-CD2 4.1Å; L136-L227 HydrophobicContact CD2-CG 4.32Å; L136-I229 HydrophobicContact CD1-CG1 4.35Å; L136-I229 HydrophobicContact CD2-CG1 3.86Å; L136-I229 HydrophobicContact CG-CD1 4.45Å; L136-I229 HydrophobicContact CG-CG1 3.68Å |
| 137 | H | 87.8 | Confident | 84.5 | Confident | 17 Ų | 17 | 48.4 Ų | 48.4 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 127.2 | 173.5 | -81.7 | -109.4 | 0 | 0 | 0 | 109.7 | V129 Y130 D132 D185 I186 K187 | V129-H137 VanDerWaalsContact CA-O 3.22Å; V129-H137 WeakPolarHBondContact CA-O 3.49Å; Y130-H137 HydrophobicContact CD1-CB 3.84Å; Y130-H137 HydrophobicContact CD2-CB 4.11Å; Y130-H137 HydrophobicContact CE1-CB 3.37Å; Y130-H137 HydrophobicContact CE2-CB 3.69Å; Y130-H137 AromaticContact CE2-CG 3.8Å; Y130-H137 HydrophobicContact CG-CB 4.18Å; Y130-H137 AromaticContact CZ-CG 3.58Å; Y130-H137 AromaticContact CZ-ND1 3.87Å; Y130-H137 PolarHBondContact N-O 2.87Å; Y130-H137 VanDerWaalsContact N-O 3.1Å; Y130-H137 PolarHBondContact O-N 2.75Å; Y130-H137 PolarHBondContact OH-ND1 2.75Å; D132-H137 IonicContact OD2-CD2 2.96Å; D132-H137 IonicContact OD2-NE2 3.88Å; D132-H137 PolarHBondContact OD2-NE2 3.3Å; H137-D185 IonicContact CE1-OD2 3.68Å; H137-D185 IonicContact CG-OD2 3.88Å; H137-D185 IonicContact ND1-OD1 3.73Å; H137-D185 IonicContact ND1-OD2 2.82Å; H137-D185 PolarHBondContact ND1-OD2 3.46Å; H137-I186 WeakPolarHBondContact CA-O 3.12Å; H137-K187 WeakPolarHBondContact CE1-CE 3.25Å; H137-K187 PolarHBondContact CE1-NZ 3.26Å; H137-K187 VanDerWaalsContact NE2-CE 3.27Å; H137-K187 WeakPolarHBondContact NE2-CE 3.42Å; H137-K187 PolarHBondContact NE2-NZ 3.26Å |
| 138 | I | 92.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 113.1 | -178.5 | -57.2 | 143.8 | 0 | 0 | 0 | 107.9 | P127 R128 V129 W140 V159 D185 I186 F188 F199 | P127-I138 HydrophobicContact CB-CG2 4.07Å; R128-I138 WeakPolarHBondContact O-CA 3.33Å; V129-I138 HydrophobicContact CG1-CG1 4.21Å; V129-I138 HydrophobicContact CG2-CG1 4.21Å; V129-I138 HydrophobicContact CG2-CG2 4.39Å; I138-W140 HydrophobicContact CG2-CE3 4.22Å; I138-W140 HydrophobicContact CG2-CZ3 4.2Å; I138-W140 WeakPolarHBondContact O-CZ3 3.28Å; I138-V159 HydrophobicContact CG2-CG1 4.39Å; I138-D185 VanDerWaalsContact C-OD1 3.3Å; I138-D185 PolarHBondContact N-OD1 2.83Å; I138-D185 WeakPolarHBondContact O-CA 3.49Å; I138-I186 HydrophobicContact CB-CG1 4.06Å; I138-I186 HydrophobicContact CD1-CD1 4.47Å; I138-I186 HydrophobicContact CD1-CG1 4.25Å; I138-I186 PolarHBondContact N-O 2.94Å; I138-I186 PolarHBondContact O-N 2.93Å; I138-F188 HydrophobicContact CD1-CB 3.45Å; I138-F188 VanDerWaalsContact CD1-CB 3.45Å; I138-F188 HydrophobicContact CD1-CD2 4.45Å; I138-F188 HydrophobicContact CD1-CG 4.17Å; I138-F188 HydrophobicContact CG1-CB 4.5Å; I138-F199 HydrophobicContact CD1-CD1 3.54Å; I138-F199 HydrophobicContact CD1-CD2 4.41Å; I138-F199 HydrophobicContact CD1-CE1 3.46Å; I138-F199 VanDerWaalsContact CD1-CE1 3.46Å; I138-F199 HydrophobicContact CD1-CE2 4.33Å; I138-F199 HydrophobicContact CD1-CG 4.03Å; I138-F199 HydrophobicContact CD1-CZ 3.87Å; I138-F199 HydrophobicContact CG1-CD1 4.1Å; I138-F199 HydrophobicContact CG1-CD2 4.2Å; I138-F199 HydrophobicContact CG1-CE1 4.26Å; I138-F199 HydrophobicContact CG1-CE2 4.34Å; I138-F199 HydrophobicContact CG1-CG 4.06Å; I138-F199 HydrophobicContact CG1-CZ 4.36Å; I138-F199 HydrophobicContact CG2-CB 4.39Å |
| 139 | S | 90.4 | Very high | 83.7 | Confident | 24 Ų | 24 | 43 Ų | 43 | 17% | 0.168 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 141.8 | -176.3 | 58.2 | 0 | 0 | 0 | 0 | 113.4 | R128 Y184 | R128-S139 WeakPolarHBondContact CB-OG 3.43Å; R128-S139 PolarHBondContact N-O 3.43Å; R128-S139 PolarHBondContact O-N 3.16Å; R128-S139 PolarHBondContact O-OG 3.1Å; S139-Y184 CarbonylContact C-O 3.48Å; S139-Y184 WeakPolarHBondContact CA-O 3.31Å; S139-Y184 WeakPolarHBondContact CB-O 3.11Å |
| 140 | W | 92 | Very high | 83.2 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.015 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 150.8 | 177.5 | 65.2 | 93.9 | 0 | 0 | 0 | 111.6 | M123 P127 I138 Y157 V159 V174 N183 Y184 I186 V201 | M123-W140 HydrophobicContact CE-CB 4.23Å; M123-W140 HydrophobicContact SD-CB 4.17Å; P127-W140 HydrophobicContact CB-CB 4.45Å; I138-W140 HydrophobicContact CG2-CE3 4.22Å; I138-W140 HydrophobicContact CG2-CZ3 4.2Å; I138-W140 WeakPolarHBondContact O-CZ3 3.28Å; W140-Y157 HydrophobicContact CZ2-CG 4.37Å; W140-Y157 AromaticContact NE1-CD1 3.55Å; W140-Y157 AromaticContact NE1-CD2 3.73Å; W140-Y157 AromaticContact NE1-CG 3.38Å; W140-V159 HydrophobicContact CH2-CG2 3.46Å; W140-V159 VanDerWaalsContact CH2-CG2 3.46Å; W140-V159 HydrophobicContact CZ2-CG2 4.13Å; W140-V159 HydrophobicContact CZ3-CG2 3.71Å; W140-V174 HydrophobicContact CH2-CG2 3.97Å; W140-V174 HydrophobicContact CZ2-CB 4.23Å; W140-V174 HydrophobicContact CZ2-CG2 4.11Å; W140-N183 CarbonylContact O-C 3.57Å; W140-N183 WeakPolarHBondContact O-CA 3.49Å; W140-Y184 VanDerWaalsContact CE2-CB 3.45Å; W140-Y184 AromaticContact CE2-CG 3.99Å; W140-Y184 HydrophobicContact CZ2-CG 4.1Å; W140-Y184 PolarHBondContact N-O 3.35Å; W140-Y184 AromaticContact NE1-CD2 3.52Å; W140-Y184 AromaticContact NE1-CG 3.82Å; W140-Y184 PolarHBondContact O-N 3.16Å; W140-I186 HydrophobicContact CH2-CD1 4.19Å; W140-I186 HydrophobicContact CH2-CG1 4.28Å; W140-I186 HydrophobicContact CH2-CG2 3.91Å; W140-I186 HydrophobicContact CZ3-CD1 4.2Å; W140-I186 HydrophobicContact CZ3-CG1 4Å; W140-I186 HydrophobicContact CZ3-CG2 4.31Å; W140-V201 HydrophobicContact CB-CG2 4.49Å; W140-V201 HydrophobicContact CD2-CG1 4.17Å; W140-V201 HydrophobicContact CD2-CG2 3.98Å; W140-V201 HydrophobicContact CE3-CG2 3.96Å; W140-V201 HydrophobicContact CG-CG1 4.21Å; W140-V201 HydrophobicContact CG-CG2 4.22Å |
| 141 | P | 88.9 | Confident | 82.6 | Confident | 24 Ų | 24 | 39.8 Ų | 39.8 | 16% | 0.156 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 151.8 | 178.7 | 30.1 | -34.2 | 0 | 0 | 0 | 112 | Y147 Y148 N183 | P141-Y147 HydrophobicContact CB-CD2 4.36Å; P141-Y147 HydrophobicContact CB-CG 4.31Å; P141-Y147 HydrophobicContact CG-CD1 3.76Å; P141-Y147 HydrophobicContact CG-CD2 4.33Å; P141-Y147 HydrophobicContact CG-CE1 4.29Å; P141-Y147 HydrophobicContact CG-CG 3.79Å; P141-Y148 PolarHBondContact O-OH 3.33Å; P141-Y148 VanDerWaalsContact O-OH 3.05Å; P141-N183 WeakPolarHBondContact CA-OD1 3.38Å |
| 142 | A | 84.9 | Confident | 82.2 | Confident | 20 Ų | 20 | 41.9 Ų | 41.9 | 17% | 0.165 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -66.9 | 168.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N144 E181 N182 Y184 | A142-N144 PolarHBondContact O-N 2.82Å; A142-E181 VanDerWaalsContact CB-O 3.32Å; A142-E181 WeakPolarHBondContact CB-O 3.21Å; A142-N182 PolarHBondContact N-O 2.04Å; A142-Y184 HydrophobicContact CB-CD2 4.43Å; A142-Y184 HydrophobicContact CB-CE2 3.77Å |
| 143 | F | 81 | Confident | 82.6 | Confident | 58 Ų | 58 | 42.6 Ų | 42.6 | 25% | 0.254 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -55.5 | 117.9 | -178.7 | -172.1 | -92.3 | 0 | 0 | 0 | 111.4 | T121 Y148 S151 S152 I154 Y157 | T121-F143 HydrophobicContact CG2-CD2 4.42Å; T121-F143 HydrophobicContact CG2-CE2 4.14Å; F143-Y148 HydrophobicContact CD2-CD1 4.27Å; F143-Y148 HydrophobicContact CD2-CD2 4.21Å; F143-Y148 AromaticContact CD2-CG 3.81Å; F143-Y148 HydrophobicContact CD2-CG 3.81Å; F143-Y148 VanDerWaalsContact CE2-CB 3.48Å; F143-Y148 HydrophobicContact CE2-CG 4.14Å; F143-S151 WeakPolarHBondContact CE2-O 3.07Å; F143-S152 VanDerWaalsContact CZ-CA 3.42Å; F143-I154 HydrophobicContact CB-CD1 3.89Å; F143-I154 HydrophobicContact CB-CG1 4.42Å; F143-I154 HydrophobicContact CD2-CD1 3.59Å; F143-I154 HydrophobicContact CD2-CG1 4.08Å; F143-I154 HydrophobicContact CG-CD1 4.15Å; F143-Y157 PolarHBondContact N-OH 3.28Å; F143-Y157 VanDerWaalsContact N-OH 3.15Å |
| 144 | N | 80.3 | Confident | 83.1 | Confident | 75 Ų | 75 | 42.7 Ų | 42.7 | 40% | 0.401 | 25% | 0.253 | S | S | . | . | trans | -145.7 | 136.3 | 170.9 | 177.4 | -27 | 0 | 0 | 0 | 107 | A142 S146 Y147 Y148 | A142-N144 PolarHBondContact O-N 2.82Å; N144-S146 PolarHBondContact ND2-OG 2.78Å; N144-S146 PolarHBondContact O-N 2.75Å; N144-S146 PolarHBondContact OD1-N 3.34Å; N144-S146 PolarHBondContact OD1-OG 3.29Å; N144-Y147 HydrophobicContact CB-CD2 4.06Å; N144-Y147 PolarHBondContact O-N 2.94Å; N144-Y148 PolarHBondContact O-N 3.21Å | ||
| 145 | S | 76.6 | Confident | 83.7 | Confident | 102 Ų | 102 | 42 Ų | 42 | 71% | 0.713 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -17.7 | -176.8 | 52.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 146 | S | 82.4 | Confident | 84.2 | Confident | 65 Ų | 65 | 44.8 Ų | 44.8 | 46% | 0.455 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -24.6 | 171.9 | 51.8 | 0 | 0 | 0 | 0 | 114.3 | N144 | N144-S146 PolarHBondContact ND2-OG 2.78Å; N144-S146 PolarHBondContact O-N 2.75Å; N144-S146 PolarHBondContact OD1-N 3.34Å; N144-S146 PolarHBondContact OD1-OG 3.29Å |
| 147 | Y | 84.1 | Confident | 84.5 | Confident | 99 Ų | 99 | 45 Ų | 45 | 39% | 0.388 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -18.6 | -178.2 | -64.6 | -86.2 | 0 | 0 | 0 | 113.4 | I124 F125 P141 N144 | I124-Y147 WeakPolarHBondContact CG1-O 3.42Å; I124-Y147 PolarHBondContact N-O 3.25Å; F125-Y147 AromaticContact CD2-CD1 3.89Å; F125-Y147 HydrophobicContact CD2-CD1 3.89Å; F125-Y147 HydrophobicContact CD2-CE1 4.47Å; F125-Y147 HydrophobicContact CE2-CD1 4.3Å; P141-Y147 HydrophobicContact CB-CD2 4.36Å; P141-Y147 HydrophobicContact CB-CG 4.31Å; P141-Y147 HydrophobicContact CG-CD1 3.76Å; P141-Y147 HydrophobicContact CG-CD2 4.33Å; P141-Y147 HydrophobicContact CG-CE1 4.29Å; P141-Y147 HydrophobicContact CG-CG 3.79Å; N144-Y147 HydrophobicContact CB-CD2 4.06Å; N144-Y147 PolarHBondContact O-N 2.94Å |
| 148 | Y | 86.3 | Confident | 84.7 | Confident | 7 Ų | 7 | 44.3 Ų | 44.3 | 3% | 0.027 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 143.6 | -175.1 | -69.8 | -98.1 | 0 | 0 | 0 | 112.4 | T121 K122 M123 P141 F143 N144 I154 Y157 A203 | T121-Y148 HydrophobicContact CG2-CD1 4.08Å; K122-Y148 CarbonylContact O-C 3.58Å; K122-Y148 VanDerWaalsContact O-CA 3.29Å; K122-Y148 WeakPolarHBondContact O-CA 3.4Å; M123-Y148 HydrophobicContact CB-CD1 3.89Å; M123-Y148 HydrophobicContact CB-CE1 3.52Å; M123-Y148 HydrophobicContact CG-CD1 4.29Å; M123-Y148 HydrophobicContact CG-CE1 3.79Å; M123-Y148 HydrophobicContact CG-CE2 4.14Å; M123-Y148 HydrophobicContact SD-CE1 4.09Å; M123-Y148 HydrophobicContact SD-CE2 4.26Å; M123-Y148 PolarHBondContact SD-OH 3.08Å; P141-Y148 PolarHBondContact O-OH 3.33Å; P141-Y148 VanDerWaalsContact O-OH 3.05Å; F143-Y148 HydrophobicContact CD2-CD1 4.27Å; F143-Y148 HydrophobicContact CD2-CD2 4.21Å; F143-Y148 AromaticContact CD2-CG 3.81Å; F143-Y148 HydrophobicContact CD2-CG 3.81Å; F143-Y148 VanDerWaalsContact CE2-CB 3.48Å; F143-Y148 HydrophobicContact CE2-CG 4.14Å; N144-Y148 PolarHBondContact O-N 3.21Å; Y148-I154 HydrophobicContact CD1-CD1 4.41Å; Y148-I154 HydrophobicContact CE1-CD1 4.27Å; Y148-Y157 HydrophobicContact CE1-CE1 4.22Å; Y148-Y157 AromaticContact CZ-CE1 3.96Å; Y148-Y157 WeakPolarHBondContact OH-CE1 3.3Å; Y148-A203 HydrophobicContact CD1-CB 4.45Å; Y148-A203 HydrophobicContact CE1-CB 3.97Å |
| 149 | I | 81.3 | Confident | 84.7 | Confident | 84 Ų | 84 | 44.3 Ų | 44.3 | 43% | 0.431 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 128.6 | 169.8 | -58 | 170.7 | 0 | 0 | 0 | 107.2 | I119 T121 K122 I124 | I119-I149 HydrophobicContact CG2-CG2 4.09Å; T121-I149 CarbonylContact C-O 3.57Å; T121-I149 VanDerWaalsContact CA-O 3.22Å; T121-I149 WeakPolarHBondContact CA-O 3.25Å; K122-I149 PolarHBondContact N-O 2.87Å; K122-I149 PolarHBondContact O-N 3.45Å; I124-I149 HydrophobicContact CD1-CD1 4.28Å; I124-I149 HydrophobicContact CD1-CG1 3.95Å; I124-I149 HydrophobicContact CG1-CD1 3.99Å; I124-I149 HydrophobicContact CG1-CG1 3.89Å |
| 150 | G | 80.4 | Confident | 84.8 | Confident | 41 Ų | 41 | 43.7 Ų | 43.7 | 42% | 0.423 | 26% | 0.257 | S | S | . | . | S | Bend | trans | 118.5 | -149.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 151 | S | 73.4 | Confident | 84.7 | Confident | 36 Ų | 36 | 45 Ų | 45 | 25% | 0.252 | 26% | 0.263 | S | S | . | . | trans | -77.5 | 138.6 | -173.1 | -176 | 0 | 0 | 0 | 0 | 112.8 | T121 F143 N153 F205 | T121-S151 PolarHBondContact OG1-N 2.86Å; T121-S151 PolarHBondContact OG1-O 2.86Å; F143-S151 WeakPolarHBondContact CE2-O 3.07Å; S151-N153 PolarHBondContact OG-N 3.43Å; S151-F205 VanDerWaalsContact CB-CD2 3.46Å | ||
| 152 | S | 74.8 | Confident | 84.5 | Confident | 83 Ų | 83 | 47.1 Ų | 47.1 | 58% | 0.58 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -80.3 | -12.7 | 177.8 | 60.4 | 0 | 0 | 0 | 0 | 114.9 | F143 I154 | F143-S152 VanDerWaalsContact CZ-CA 3.42Å; S152-I154 PolarHBondContact O-N 3.21Å |
| 153 | N | 84 | Confident | 84 | Confident | 76 Ų | 76 | 48.2 Ų | 48.2 | 41% | 0.406 | 28% | 0.275 | S | S | . | . | trans | -85.7 | 58.7 | -174.8 | -157.4 | 3.3 | 0 | 0 | 0 | 111.6 | S151 F205 L206 | S151-N153 PolarHBondContact OG-N 3.43Å; N153-F205 CarbonylContact O-C 3.52Å; N153-F205 VanDerWaalsContact O-CA 3.25Å; N153-F205 WeakPolarHBondContact O-CA 3.23Å; N153-F205 WeakPolarHBondContact O-CB 3.28Å; N153-L206 HydrophobicContact CB-CB 4.49Å; N153-L206 PolarHBondContact O-N 2.67Å | ||
| 154 | I | 84.4 | Confident | 83.3 | Confident | 15 Ų | 15 | 53.5 Ų | 53.5 | 8% | 0.077 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 129.2 | 179 | -60.8 | -173.5 | 0 | 0 | 0 | 109.1 | T121 F143 Y148 S152 Y157 A176 A203 | T121-I154 HydrophobicContact CG2-CD1 4.15Å; T121-I154 HydrophobicContact CG2-CG1 4.4Å; F143-I154 HydrophobicContact CB-CD1 3.89Å; F143-I154 HydrophobicContact CB-CG1 4.42Å; F143-I154 HydrophobicContact CD2-CD1 3.59Å; F143-I154 HydrophobicContact CD2-CG1 4.08Å; F143-I154 HydrophobicContact CG-CD1 4.15Å; Y148-I154 HydrophobicContact CD1-CD1 4.41Å; Y148-I154 HydrophobicContact CE1-CD1 4.27Å; S152-I154 PolarHBondContact O-N 3.21Å; I154-Y157 HydrophobicContact CD1-CE1 3.63Å; I154-Y157 WeakPolarHBondContact CD1-OH 3.2Å; I154-Y157 HydrophobicContact CG2-CD1 4.37Å; I154-Y157 HydrophobicContact CG2-CD2 4.41Å; I154-Y157 HydrophobicContact CG2-CE1 3.96Å; I154-Y157 HydrophobicContact CG2-CE2 4Å; I154-A176 HydrophobicContact CB-CB 4.42Å; I154-A176 HydrophobicContact CG2-CB 4.08Å; I154-A176 WeakPolarHBondContact O-CB 3.4Å; I154-A203 HydrophobicContact CD1-CB 3.49Å; I154-A203 VanDerWaalsContact CD1-CB 3.49Å; I154-A203 HydrophobicContact CG1-CB 4.2Å; I154-A203 HydrophobicContact CG2-CB 4.33Å |
| 155 | V | 87.4 | Confident | 82.3 | Confident | 49 Ų | 49 | 52.6 Ų | 52.6 | 30% | 0.297 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -38.8 | 176.6 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | A176 D204 L206 I215 | V155-A176 PolarHBondContact O-N 2.93Å; V155-D204 PolarHBondContact N-O 3.2Å; V155-L206 HydrophobicContact CG2-CB 3.69Å; V155-L206 HydrophobicContact CG2-CD1 4.29Å; V155-I215 HydrophobicContact CG1-CD1 4.13Å; V155-I215 HydrophobicContact CG2-CG1 4.37Å |
| 156 | K | 90.1 | Very high | 81.5 | Confident | 61 Ų | 61 | 53.6 Ų | 53.6 | 27% | 0.265 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 152.5 | -179.7 | 64.9 | 178.2 | -173.9 | 169.9 | 0 | 112.6 | V174 D204 | K156-V174 CarbonylContact C-O 3.48Å; K156-V174 VanDerWaalsContact CA-O 3.26Å; K156-V174 WeakPolarHBondContact CA-O 3.47Å; K156-V174 WeakPolarHBondContact CB-O 3.05Å; K156-D204 WeakPolarHBondContact CE-OD2 3.16Å; K156-D204 HydrophobicContact CG-CB 3.93Å; K156-D204 PolarHBondContact N-O 3.01Å; K156-D204 IonicContact NZ-OD2 2.78Å; K156-D204 PolarHBondContact O-N 3Å |
| 157 | Y | 91.7 | Very high | 81.2 | Confident | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 127.3 | 167.5 | -59.9 | -82.6 | 0 | 0 | 0 | 109.1 | W140 F143 Y148 I154 S173 V174 A176 Y184 V201 R202 A203 | W140-Y157 HydrophobicContact CZ2-CG 4.37Å; W140-Y157 AromaticContact NE1-CD1 3.55Å; W140-Y157 AromaticContact NE1-CD2 3.73Å; W140-Y157 AromaticContact NE1-CG 3.38Å; F143-Y157 PolarHBondContact N-OH 3.28Å; F143-Y157 VanDerWaalsContact N-OH 3.15Å; Y148-Y157 HydrophobicContact CE1-CE1 4.22Å; Y148-Y157 AromaticContact CZ-CE1 3.96Å; Y148-Y157 WeakPolarHBondContact OH-CE1 3.3Å; I154-Y157 HydrophobicContact CD1-CE1 3.63Å; I154-Y157 WeakPolarHBondContact CD1-OH 3.2Å; I154-Y157 HydrophobicContact CG2-CD1 4.37Å; I154-Y157 HydrophobicContact CG2-CD2 4.41Å; I154-Y157 HydrophobicContact CG2-CE1 3.96Å; I154-Y157 HydrophobicContact CG2-CE2 4Å; Y157-S173 CarbonylContact O-C 3.57Å; Y157-S173 VanDerWaalsContact O-CA 3.27Å; Y157-S173 WeakPolarHBondContact O-CA 3.39Å; Y157-V174 PolarHBondContact N-O 3.11Å; Y157-V174 PolarHBondContact O-N 3.04Å; Y157-A176 HydrophobicContact CE2-CB 4.03Å; Y157-Y184 HydrophobicContact CD2-CD2 4.26Å; Y157-Y184 HydrophobicContact CD2-CE2 4.05Å; Y157-Y184 AromaticContact CE2-CD2 3.97Å; Y157-Y184 HydrophobicContact CE2-CD2 3.97Å; Y157-Y184 AromaticContact CE2-CE2 3.41Å; Y157-Y184 HydrophobicContact CE2-CE2 3.41Å; Y157-Y184 VanDerWaalsContact CE2-CE2 3.41Å; Y157-Y184 AromaticContact CE2-CZ 3.9Å; Y157-V201 HydrophobicContact CD1-CG1 4.02Å; Y157-V201 HydrophobicContact CG-CG1 4.41Å; Y157-R202 CarbonylContact C-O 3.57Å; Y157-R202 WeakPolarHBondContact CA-O 2.92Å; Y157-A203 HydrophobicContact CD1-CB 4.08Å; Y157-A203 HydrophobicContact CE1-CB 4.05Å |
| 158 | T | 92.5 | Very high | 80.9 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 3% | 0.025 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 116.3 | 174.5 | -58.5 | 0 | 0 | 0 | 0 | 108.6 | L160 V170 S173 R202 | T158-L160 HydrophobicContact CG2-CD2 4.4Å; T158-V170 HydrophobicContact CG2-CB 4.45Å; T158-V170 HydrophobicContact CG2-CG1 3.63Å; T158-V170 HydrophobicContact CG2-CG2 4.08Å; T158-S173 PolarHBondContact OG1-OG 3.05Å; T158-R202 PolarHBondContact N-O 3.11Å; T158-R202 PolarHBondContact O-N 3Å |
| 159 | V | 91.7 | Very high | 80.6 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 124.2 | 177.3 | -173.9 | 0 | 0 | 0 | 0 | 109 | I138 W140 Y171 Q172 I186 F199 V201 | I138-V159 HydrophobicContact CG2-CG1 4.39Å; W140-V159 HydrophobicContact CH2-CG2 3.46Å; W140-V159 VanDerWaalsContact CH2-CG2 3.46Å; W140-V159 HydrophobicContact CZ2-CG2 4.13Å; W140-V159 HydrophobicContact CZ3-CG2 3.71Å; V159-Y171 PolarHBondContact O-N 2.99Å; V159-Q172 PolarHBondContact N-O 3.37Å; V159-I186 HydrophobicContact CB-CD1 4.08Å; V159-I186 HydrophobicContact CG1-CD1 4.15Å; V159-I186 HydrophobicContact CG2-CD1 3.67Å; V159-F199 HydrophobicContact CG1-CD1 4.41Å; V159-V201 HydrophobicContact CG2-CG2 4.32Å |
| 160 | L | 92.4 | Very high | 80.9 | Confident | 11 Ų | 11 | 56.2 Ų | 56.2 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 145.7 | -177.5 | -59.3 | 159.2 | 0 | 0 | 0 | 108.5 | T158 L168 S169 V170 F199 S200 R202 P220 | T158-L160 HydrophobicContact CG2-CD2 4.4Å; L160-L168 HydrophobicContact CB-CB 4.37Å; L160-L168 HydrophobicContact CB-CD2 4.05Å; L160-S169 CarbonylContact C-O 3.58Å; L160-S169 VanDerWaalsContact CA-O 3.24Å; L160-S169 WeakPolarHBondContact CA-O 3.16Å; L160-V170 HydrophobicContact CD2-CB 4.47Å; L160-V170 HydrophobicContact CD2-CG2 3.71Å; L160-F199 CarbonylContact O-C 3.52Å; L160-F199 VanDerWaalsContact O-CA 3.3Å; L160-F199 WeakPolarHBondContact O-CA 3Å; L160-S200 WeakPolarHBondContact CA-O 3.34Å; L160-S200 WeakPolarHBondContact CB-O 3.31Å; L160-S200 PolarHBondContact N-O 2.83Å; L160-S200 PolarHBondContact O-N 3.4Å; L160-R202 HydrophobicContact CD1-CB 4.08Å; L160-P220 HydrophobicContact CD1-CB 3.96Å; L160-P220 HydrophobicContact CD1-CG 4.07Å |
| 161 | F | 90.1 | Very high | 81.1 | Confident | 30 Ų | 30 | 57.6 Ų | 57.6 | 13% | 0.132 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 157.9 | 176.9 | 74.3 | -76.5 | 0 | 0 | 0 | 112 | S169 F188 F197 A198 F199 | F161-S169 VanDerWaalsContact CD1-O 3.3Å; F161-S169 WeakPolarHBondContact CD1-O 3.31Å; F161-S169 VanDerWaalsContact CE1-OG 3.25Å; F161-S169 WeakPolarHBondContact CE1-OG 3.25Å; F161-S169 VanDerWaalsContact CZ-OG 3.26Å; F161-S169 WeakPolarHBondContact CZ-OG 3.19Å; F161-S169 PolarHBondContact N-O 3.39Å; F161-S169 PolarHBondContact O-N 2.82Å; F161-S169 PolarHBondContact O-OG 2.9Å; F161-S169 VanDerWaalsContact O-OG 3.1Å; F161-F188 HydrophobicContact CD2-CE2 4.37Å; F161-F188 HydrophobicContact CD2-CZ 4.3Å; F161-F188 HydrophobicContact CG-CE2 4.32Å; F161-F197 AromaticContact CD2-CD1 4Å; F161-F197 HydrophobicContact CD2-CD1 4Å; F161-F197 HydrophobicContact CD2-CE1 4.37Å; F161-A198 CarbonylContact C-O 3.51Å; F161-A198 VanDerWaalsContact CA-O 3.23Å; F161-A198 WeakPolarHBondContact CA-O 3.44Å; F161-F199 HydrophobicContact CB-CD1 3.63Å; F161-F199 HydrophobicContact CB-CE1 3.59Å |
| 162 | R | 85.3 | Confident | 81.8 | Confident | 69 Ų | 69 | 60.2 Ų | 60.2 | 26% | 0.26 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 139.9 | 173.7 | -178.2 | -174.2 | -74.8 | 144.7 | 1.2 | 109.8 | S165 T166 L168 F197 A198 E223 | R162-S165 VanDerWaalsContact CD-O 3.25Å; R162-S165 WeakPolarHBondContact CD-O 3.33Å; R162-S165 WeakPolarHBondContact CG-O 3.26Å; R162-S165 PolarHBondContact NE-O 2.84Å; R162-T166 PolarHBondContact NH2-O 2.97Å; R162-L168 HydrophobicContact CB-CD2 4.28Å; R162-F197 WeakPolarHBondContact O-CA 2.98Å; R162-A198 PolarHBondContact N-O 3.22Å; R162-A198 PolarHBondContact O-N 3.16Å; R162-E223 IonicContact CZ-OE1 2.65Å; R162-E223 IonicContact CZ-OE2 2.81Å; R162-E223 IonicContact NH1-OE1 2.67Å; R162-E223 PolarHBondContact NH1-OE1 2.94Å; R162-E223 IonicContact NH1-OE2 3.75Å; R162-E223 PolarHBondContact NH1-OE2 3.42Å; R162-E223 IonicContact NH2-OE1 3.82Å; R162-E223 PolarHBondContact NH2-OE1 2.94Å |
| 163 | S | 73.1 | Confident | 82.4 | Confident | 44 Ų | 44 | 58.6 Ų | 58.6 | 31% | 0.308 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -121.5 | -49.9 | 177.8 | 76.3 | 0 | 0 | 0 | 0 | 112.2 | F197 | S163-F197 VanDerWaalsContact CB-CE1 3.49Š|
| 164 | E | 68.1 | Low | 82.6 | Confident | 168 Ų | 168 | 56.4 Ų | 56.4 | 79% | 0.785 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -148.1 | -14.4 | 178.2 | -65.8 | -175 | 165.1 | 0 | 0 | 113.8 | I195 | E164-I195 HydrophobicContact CG-CG2 4.46Š|
| 165 | S | 58.5 | Low | 82.7 | Confident | 57 Ų | 57 | 61.2 Ų | 61.2 | 40% | 0.399 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -77.1 | 149.4 | -178.4 | 53 | 0 | 0 | 0 | 0 | 112.8 | R162 N167 | R162-S165 VanDerWaalsContact CD-O 3.25Å; R162-S165 WeakPolarHBondContact CD-O 3.33Å; R162-S165 WeakPolarHBondContact CG-O 3.26Å; R162-S165 PolarHBondContact NE-O 2.84Å; S165-N167 PolarHBondContact O-N 2.8Å; S165-N167 PolarHBondContact OG-O 2.97Å |
| 166 | T | 60.6 | Low | 82.4 | Confident | 122 Ų | 122 | 60.6 Ų | 60.6 | 75% | 0.748 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -60.6 | -26.4 | 172.3 | 57.7 | 0 | 0 | 0 | 0 | 112.2 | R162 | R162-T166 PolarHBondContact NH2-O 2.97Š|
| 167 | N | 74.2 | Confident | 81.8 | Confident | 117 Ų | 117 | 61.2 Ų | 61.2 | 63% | 0.626 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -106.6 | 144.6 | -173.6 | -62.2 | -11.9 | 0 | 0 | 0 | 112 | S165 | S165-N167 PolarHBondContact O-N 2.8Å; S165-N167 PolarHBondContact OG-O 2.97Å |
| 168 | L | 77.8 | Confident | 80.1 | Confident | 58 Ų | 58 | 66.3 Ų | 66.3 | 30% | 0.304 | 38% | 0.375 | S | S | . | . | trans | -74.1 | 133.4 | 172.9 | -78.2 | 151.5 | 0 | 0 | 0 | 110.6 | L160 R162 E223 | L160-L168 HydrophobicContact CB-CB 4.37Å; L160-L168 HydrophobicContact CB-CD2 4.05Å; R162-L168 HydrophobicContact CB-CD2 4.28Å; L168-E223 HydrophobicContact CD2-CG 4.46Å | ||
| 169 | S | 81.7 | Confident | 78.4 | Confident | 45 Ų | 45 | 70.8 Ų | 70.8 | 32% | 0.315 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 147.7 | 175.5 | 44.8 | 0 | 0 | 0 | 0 | 112 | L160 F161 | L160-S169 CarbonylContact C-O 3.58Å; L160-S169 VanDerWaalsContact CA-O 3.24Å; L160-S169 WeakPolarHBondContact CA-O 3.16Å; F161-S169 VanDerWaalsContact CD1-O 3.3Å; F161-S169 WeakPolarHBondContact CD1-O 3.31Å; F161-S169 VanDerWaalsContact CE1-OG 3.25Å; F161-S169 WeakPolarHBondContact CE1-OG 3.25Å; F161-S169 VanDerWaalsContact CZ-OG 3.26Å; F161-S169 WeakPolarHBondContact CZ-OG 3.19Å; F161-S169 PolarHBondContact N-O 3.39Å; F161-S169 PolarHBondContact O-N 2.82Å; F161-S169 PolarHBondContact O-OG 2.9Å; F161-S169 VanDerWaalsContact O-OG 3.1Å |
| 170 | V | 86.4 | Confident | 76.5 | Confident | 90 Ų | 90 | 81 Ų | 81 | 55% | 0.545 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 124.6 | 177.9 | 178.8 | 0 | 0 | 0 | 0 | 110.1 | T158 L160 | T158-V170 HydrophobicContact CG2-CB 4.45Å; T158-V170 HydrophobicContact CG2-CG1 3.63Å; T158-V170 HydrophobicContact CG2-CG2 4.08Å; L160-V170 HydrophobicContact CD2-CB 4.47Å; L160-V170 HydrophobicContact CD2-CG2 3.71Å |
| 171 | Y | 85.6 | Confident | 75 | Confident | 70 Ų | 70 | 85.4 Ų | 85.4 | 28% | 0.275 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -60.1 | 171.1 | 177.7 | -115.9 | 0 | 0 | 0 | 110.9 | V159 I186 K187 F188 | V159-Y171 PolarHBondContact O-N 2.99Å; Y171-I186 HydrophobicContact CD1-CD1 3.97Å; Y171-I186 HydrophobicContact CE1-CD1 4Å; Y171-K187 PolarHBondContact OH-O 2.91Å; Y171-K187 VanDerWaalsContact OH-O 3.1Å; Y171-F188 HydrophobicContact CD1-CD2 4.06Å; Y171-F188 AromaticContact CD2-CD2 3.56Å; Y171-F188 HydrophobicContact CD2-CD2 3.56Å; Y171-F188 AromaticContact CD2-CE2 3.57Å; Y171-F188 HydrophobicContact CD2-CE2 3.57Å; Y171-F188 HydrophobicContact CE1-CB 4.45Å; Y171-F188 AromaticContact CE1-CD2 3.93Å; Y171-F188 HydrophobicContact CE1-CD2 3.93Å; Y171-F188 AromaticContact CE2-CD2 3.4Å; Y171-F188 HydrophobicContact CE2-CD2 3.4Å; Y171-F188 VanDerWaalsContact CE2-CD2 3.4Å; Y171-F188 AromaticContact CE2-CE2 3.7Å; Y171-F188 HydrophobicContact CE2-CE2 3.7Å; Y171-F188 HydrophobicContact CE2-CG 4.44Å; Y171-F188 AromaticContact CG-CD2 3.89Å; Y171-F188 HydrophobicContact CG-CD2 3.89Å; Y171-F188 HydrophobicContact CG-CE2 4.14Å; Y171-F188 AromaticContact CZ-CD2 3.6Å |
| 172 | Q | 87.7 | Confident | 74.2 | Confident | 92 Ų | 92 | 90.8 Ų | 90.8 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 152.8 | -175.6 | -171.6 | 175.2 | 6.4 | 0 | 0 | 110.8 | V159 | V159-Q172 PolarHBondContact N-O 3.37Å |
| 173 | S | 87.7 | Confident | 74.1 | Confident | 49 Ų | 49 | 92.6 Ų | 92.6 | 34% | 0.343 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 133.1 | 165.5 | -65.1 | 0 | 0 | 0 | 0 | 110.6 | Y157 T158 | Y157-S173 CarbonylContact O-C 3.57Å; Y157-S173 VanDerWaalsContact O-CA 3.27Å; Y157-S173 WeakPolarHBondContact O-CA 3.39Å; T158-S173 PolarHBondContact OG1-OG 3.05Å |
| 174 | V | 87.2 | Confident | 74.8 | Confident | 29 Ų | 29 | 91.2 Ų | 91.2 | 18% | 0.176 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 122.8 | 176.1 | -177.2 | 0 | 0 | 0 | 0 | 108 | W140 K156 Y157 Y184 I186 | W140-V174 HydrophobicContact CH2-CG2 3.97Å; W140-V174 HydrophobicContact CZ2-CB 4.23Å; W140-V174 HydrophobicContact CZ2-CG2 4.11Å; K156-V174 CarbonylContact C-O 3.48Å; K156-V174 VanDerWaalsContact CA-O 3.26Å; K156-V174 WeakPolarHBondContact CA-O 3.47Å; K156-V174 WeakPolarHBondContact CB-O 3.05Å; Y157-V174 PolarHBondContact N-O 3.11Å; Y157-V174 PolarHBondContact O-N 3.04Å; V174-Y184 HydrophobicContact CG1-CD1 4.05Å; V174-Y184 HydrophobicContact CG1-CE1 4.41Å; V174-I186 HydrophobicContact CG2-CG2 3.99Å |
| 175 | N | 86.8 | Confident | 75.7 | Confident | 117 Ų | 117 | 86.7 Ų | 86.7 | 63% | 0.626 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69 | 141.3 | 177.1 | -69.6 | -17.1 | 0 | 0 | 0 | 110.2 | ||
| 176 | A | 82 | Confident | 77.2 | Confident | 35 Ų | 35 | 85 Ų | 85 | 29% | 0.289 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -73 | 128.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110 | I154 V155 Y157 | I154-A176 HydrophobicContact CB-CB 4.42Å; I154-A176 HydrophobicContact CG2-CB 4.08Å; I154-A176 WeakPolarHBondContact O-CB 3.4Å; V155-A176 PolarHBondContact O-N 2.93Å; Y157-A176 HydrophobicContact CE2-CB 4.03Å |
| 177 | T | 76.7 | Confident | 78.5 | Confident | 75 Ų | 75 | 84.7 Ų | 84.7 | 46% | 0.46 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -99 | 146.9 | -178.2 | 41.4 | 0 | 0 | 0 | 0 | 110.5 | E181 Y184 | T177-E181 PolarHBondContact OG1-OE2 3.06Å; T177-Y184 PolarHBondContact N-OH 3.27Å; T177-Y184 VanDerWaalsContact N-OH 3.14Å; T177-Y184 WeakPolarHBondContact OG1-CE1 3.45Å; T177-Y184 PolarHBondContact OG1-OH 2.76Å |
| 178 | S | 56.7 | Low | 79 | Confident | 111 Ų | 111 | 79.1 Ų | 79.1 | 78% | 0.776 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -81.7 | 129 | -179.4 | 46 | 0 | 0 | 0 | 0 | 113 | Y180 | S178-Y180 PolarHBondContact O-N 2.87Š|
| 179 | A | 55.3 | Low | 78.9 | Confident | 97 Ų | 97 | 79.8 Ų | 79.8 | 80% | 0.802 | 44% | 0.438 | S | S | * | . | S | Bend | trans | 68.9 | -11.9 | 156 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||
| 180 | Y | 53.7 | Low | 78.6 | Confident | 216 Ų | 216 | 81.4 Ų | 81.4 | 85% | 0.847 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -125.6 | -10.1 | -175 | -66.7 | -76.4 | 0 | 0 | 0 | 118 | S178 | S178-Y180 PolarHBondContact O-N 2.87Š|
| 181 | E | 59.1 | Low | 77.7 | Confident | 103 Ų | 103 | 85.3 Ų | 85.3 | 48% | 0.481 | 46% | 0.459 | S | S | . | . | trans | -99.1 | 111.1 | 176.7 | -76.1 | 177.3 | 152.4 | 0 | 0 | 110.8 | A142 T177 N183 Y184 | A142-E181 VanDerWaalsContact CB-O 3.32Å; A142-E181 WeakPolarHBondContact CB-O 3.21Å; T177-E181 PolarHBondContact OG1-OE2 3.06Å; E181-N183 VanDerWaalsContact C-N 3.35Å; E181-Y184 VanDerWaalsContact OE2-CE1 3.32Å; E181-Y184 WeakPolarHBondContact OE2-CE1 3.3Å | ||
| 182 | N | 73.1 | Confident | 76.8 | Confident | 142 Ų | 142 | 85.8 Ų | 85.8 | 76% | 0.759 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -72.7 | -30.9 | 174.1 | -75.5 | -17 | 0 | 0 | 0 | 112 | A142 | A142-N182 PolarHBondContact N-O 2.04Š|
| 183 | N | 84 | Confident | 75.7 | Confident | 107 Ų | 107 | 82.8 Ų | 82.8 | 57% | 0.572 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 143 | -177.3 | -65.9 | -28.2 | 0 | 0 | 0 | 110.4 | W140 P141 E181 | W140-N183 CarbonylContact O-C 3.57Å; W140-N183 WeakPolarHBondContact O-CA 3.49Å; P141-N183 WeakPolarHBondContact CA-OD1 3.38Å; E181-N183 VanDerWaalsContact C-N 3.35Å |
| 184 | Y | 88.5 | Confident | 74.5 | Confident | 15 Ų | 15 | 86.4 Ų | 86.4 | 6% | 0.059 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 142.3 | 168.5 | -64.1 | -82.3 | 0 | 0 | 0 | 109.1 | S139 W140 A142 Y157 V174 T177 E181 | S139-Y184 CarbonylContact C-O 3.48Å; S139-Y184 WeakPolarHBondContact CA-O 3.31Å; S139-Y184 WeakPolarHBondContact CB-O 3.11Å; W140-Y184 VanDerWaalsContact CE2-CB 3.45Å; W140-Y184 AromaticContact CE2-CG 3.99Å; W140-Y184 HydrophobicContact CZ2-CG 4.1Å; W140-Y184 PolarHBondContact N-O 3.35Å; W140-Y184 AromaticContact NE1-CD2 3.52Å; W140-Y184 AromaticContact NE1-CG 3.82Å; W140-Y184 PolarHBondContact O-N 3.16Å; A142-Y184 HydrophobicContact CB-CD2 4.43Å; A142-Y184 HydrophobicContact CB-CE2 3.77Å; Y157-Y184 HydrophobicContact CD2-CD2 4.26Å; Y157-Y184 HydrophobicContact CD2-CE2 4.05Å; Y157-Y184 AromaticContact CE2-CD2 3.97Å; Y157-Y184 HydrophobicContact CE2-CD2 3.97Å; Y157-Y184 AromaticContact CE2-CE2 3.41Å; Y157-Y184 HydrophobicContact CE2-CE2 3.41Å; Y157-Y184 VanDerWaalsContact CE2-CE2 3.41Å; Y157-Y184 AromaticContact CE2-CZ 3.9Å; V174-Y184 HydrophobicContact CG1-CD1 4.05Å; V174-Y184 HydrophobicContact CG1-CE1 4.41Å; T177-Y184 PolarHBondContact N-OH 3.27Å; T177-Y184 VanDerWaalsContact N-OH 3.14Å; T177-Y184 WeakPolarHBondContact OG1-CE1 3.45Å; T177-Y184 PolarHBondContact OG1-OH 2.76Å; E181-Y184 VanDerWaalsContact OE2-CE1 3.32Å; E181-Y184 WeakPolarHBondContact OE2-CE1 3.3Å |
| 185 | D | 87 | Confident | 73.8 | Confident | 74 Ų | 74 | 86.5 Ų | 86.5 | 40% | 0.396 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 133.7 | 171.9 | -172.9 | 35.3 | 0 | 0 | 0 | 109.4 | H137 I138 | H137-D185 IonicContact CE1-OD2 3.68Å; H137-D185 IonicContact CG-OD2 3.88Å; H137-D185 IonicContact ND1-OD1 3.73Å; H137-D185 IonicContact ND1-OD2 2.82Å; H137-D185 PolarHBondContact ND1-OD2 3.46Å; I138-D185 VanDerWaalsContact C-OD1 3.3Å; I138-D185 PolarHBondContact N-OD1 2.83Å; I138-D185 WeakPolarHBondContact O-CA 3.49Å |
| 186 | I | 89.7 | Confident | 73.5 | Confident | 22 Ų | 22 | 83.3 Ų | 83.3 | 11% | 0.113 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 147.1 | 176.1 | 68.5 | 174 | 0 | 0 | 0 | 111 | H137 I138 W140 V159 Y171 V174 | H137-I186 WeakPolarHBondContact CA-O 3.12Å; I138-I186 HydrophobicContact CB-CG1 4.06Å; I138-I186 HydrophobicContact CD1-CD1 4.47Å; I138-I186 HydrophobicContact CD1-CG1 4.25Å; I138-I186 PolarHBondContact N-O 2.94Å; I138-I186 PolarHBondContact O-N 2.93Å; W140-I186 HydrophobicContact CH2-CD1 4.19Å; W140-I186 HydrophobicContact CH2-CG1 4.28Å; W140-I186 HydrophobicContact CH2-CG2 3.91Å; W140-I186 HydrophobicContact CZ3-CD1 4.2Å; W140-I186 HydrophobicContact CZ3-CG1 4Å; W140-I186 HydrophobicContact CZ3-CG2 4.31Å; V159-I186 HydrophobicContact CB-CD1 4.08Å; V159-I186 HydrophobicContact CG1-CD1 4.15Å; V159-I186 HydrophobicContact CG2-CD1 3.67Å; Y171-I186 HydrophobicContact CD1-CD1 3.97Å; Y171-I186 HydrophobicContact CE1-CD1 4Å; V174-I186 HydrophobicContact CG2-CG2 3.99Å |
| 187 | K | 86.7 | Confident | 73.7 | Confident | 114 Ų | 114 | 81.6 Ų | 81.6 | 50% | 0.496 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 125.8 | 172 | -65.1 | -168.6 | -179.6 | -122 | 0 | 110.5 | D132 H137 Y171 | D132-K187 IonicContact OD2-NZ 2.87Å; D132-K187 PolarHBondContact OD2-NZ 2.91Å; D132-K187 VanDerWaalsContact OD2-NZ 3.15Å; H137-K187 WeakPolarHBondContact CE1-CE 3.25Å; H137-K187 PolarHBondContact CE1-NZ 3.26Å; H137-K187 VanDerWaalsContact NE2-CE 3.27Å; H137-K187 WeakPolarHBondContact NE2-CE 3.42Å; H137-K187 PolarHBondContact NE2-NZ 3.26Å; Y171-K187 PolarHBondContact OH-O 2.91Å; Y171-K187 VanDerWaalsContact OH-O 3.1Å |
| 188 | F | 85.2 | Confident | 74.4 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 121.2 | 170.8 | 177.1 | -91.1 | 0 | 0 | 0 | 109.8 | L136 I138 F161 Y171 H190 F197 F199 | L136-F188 HydrophobicContact CB-CB 4.23Å; L136-F188 HydrophobicContact CB-CD1 4.26Å; L136-F188 HydrophobicContact CD1-CD1 4.13Å; L136-F188 HydrophobicContact CG-CD1 4.48Å; L136-F188 PolarHBondContact N-O 2.56Å; L136-F188 PolarHBondContact O-N 3.45Å; I138-F188 HydrophobicContact CD1-CB 3.45Å; I138-F188 VanDerWaalsContact CD1-CB 3.45Å; I138-F188 HydrophobicContact CD1-CD2 4.45Å; I138-F188 HydrophobicContact CD1-CG 4.17Å; I138-F188 HydrophobicContact CG1-CB 4.5Å; F161-F188 HydrophobicContact CD2-CE2 4.37Å; F161-F188 HydrophobicContact CD2-CZ 4.3Å; F161-F188 HydrophobicContact CG-CE2 4.32Å; Y171-F188 HydrophobicContact CD1-CD2 4.06Å; Y171-F188 AromaticContact CD2-CD2 3.56Å; Y171-F188 HydrophobicContact CD2-CD2 3.56Å; Y171-F188 AromaticContact CD2-CE2 3.57Å; Y171-F188 HydrophobicContact CD2-CE2 3.57Å; Y171-F188 HydrophobicContact CE1-CB 4.45Å; Y171-F188 AromaticContact CE1-CD2 3.93Å; Y171-F188 HydrophobicContact CE1-CD2 3.93Å; Y171-F188 AromaticContact CE2-CD2 3.4Å; Y171-F188 HydrophobicContact CE2-CD2 3.4Å; Y171-F188 VanDerWaalsContact CE2-CD2 3.4Å; Y171-F188 AromaticContact CE2-CE2 3.7Å; Y171-F188 HydrophobicContact CE2-CE2 3.7Å; Y171-F188 HydrophobicContact CE2-CG 4.44Å; Y171-F188 AromaticContact CG-CD2 3.89Å; Y171-F188 HydrophobicContact CG-CD2 3.89Å; Y171-F188 HydrophobicContact CG-CE2 4.14Å; Y171-F188 AromaticContact CZ-CD2 3.6Å; F188-H190 HydrophobicContact CE1-CB 3.63Å; F188-H190 HydrophobicContact CZ-CB 3.8Å; F188-F197 HydrophobicContact CE1-CB 4.48Å; F188-F197 HydrophobicContact CE1-CD1 4.2Å; F188-F197 AromaticContact CE1-CD2 3.76Å; F188-F197 HydrophobicContact CE1-CD2 3.76Å; F188-F197 HydrophobicContact CE1-CE1 4.41Å; F188-F197 HydrophobicContact CE1-CE2 4.01Å; F188-F197 AromaticContact CE1-CG 3.88Å; F188-F197 HydrophobicContact CE1-CG 3.88Å; F188-F197 HydrophobicContact CE1-CZ 4.34Å; F188-F197 HydrophobicContact CZ-CD1 4Å; F188-F197 HydrophobicContact CZ-CD2 4.38Å; F188-F197 HydrophobicContact CZ-CE1 4.15Å; F188-F197 HydrophobicContact CZ-CG 4.13Å; F188-F197 HydrophobicContact CZ-CZ 4.44Å; F188-F199 HydrophobicContact CB-CE1 4.42Å; F188-F199 HydrophobicContact CB-CZ 4.34Å; F188-F199 HydrophobicContact CD1-CE1 4.19Å; F188-F199 AromaticContact CD1-CZ 3.67Å; F188-F199 HydrophobicContact CD1-CZ 3.67Å; F188-F199 AromaticContact CD2-CE1 3.66Å; F188-F199 HydrophobicContact CD2-CE1 3.66Å; F188-F199 HydrophobicContact CD2-CZ 4.01Å; F188-F199 HydrophobicContact CE1-CE1 4.34Å; F188-F199 AromaticContact CE1-CZ 3.84Å; F188-F199 HydrophobicContact CE1-CZ 3.84Å; F188-F199 AromaticContact CE2-CE1 3.84Å; F188-F199 HydrophobicContact CE2-CE1 3.84Å; F188-F199 HydrophobicContact CE2-CZ 4.18Å; F188-F199 AromaticContact CG-CE1 3.84Å; F188-F199 HydrophobicContact CG-CE1 3.84Å; F188-F199 AromaticContact CG-CZ 3.75Å; F188-F199 HydrophobicContact CG-CZ 3.75Å; F188-F199 HydrophobicContact CZ-CE1 4.17Å; F188-F199 HydrophobicContact CZ-CZ 4.09Å |
| 189 | T | 76.7 | Confident | 76.1 | Confident | 73 Ų | 73 | 73 Ų | 73 | 45% | 0.448 | 38% | 0.384 | S | S | . | . | trans | -124.1 | 128.2 | 174.8 | 51.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 190 | H | 74.1 | Confident | 77.9 | Confident | 78 Ų | 78 | 68.4 Ų | 68.4 | 36% | 0.361 | 35% | 0.346 | S | S | . | . | trans | -129.5 | 146.9 | 178.4 | -163.3 | 67.6 | 0 | 0 | 0 | 109.7 | F188 N192 F197 | F188-H190 HydrophobicContact CE1-CB 3.63Å; F188-H190 HydrophobicContact CZ-CB 3.8Å; H190-N192 PolarHBondContact CD2-N 3.36Å; H190-N192 PolarHBondContact O-N 2.75Å; H190-N192 VanDerWaalsContact O-N 3.15Å; H190-F197 HydrophobicContact CB-CE2 4.29Å; H190-F197 HydrophobicContact CB-CZ 4.09Å; H190-F197 AromaticContact CD2-CZ 3.37Å; H190-F197 WeakPolarHBondContact CD2-CZ 3Å; H190-F197 AromaticContact CG-CZ 3.8Å | ||
| 191 | N | 68.6 | Low | 79.8 | Confident | 173 Ų | 173 | 58.1 Ų | 58.1 | 93% | 0.925 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -62.9 | -22.2 | -179.1 | -70.3 | -5.1 | 0 | 0 | 0 | 112.5 | ||
| 192 | N | 66.2 | Low | 81.4 | Confident | 79 Ų | 79 | 55 Ų | 55 | 42% | 0.422 | 29% | 0.289 | S | S | . | . | trans | -113 | 95.4 | -179.3 | -135.5 | -5 | 0 | 0 | 0 | 109.7 | H190 L194 I195 | H190-N192 PolarHBondContact CD2-N 3.36Å; H190-N192 PolarHBondContact O-N 2.75Å; H190-N192 VanDerWaalsContact O-N 3.15Å; N192-L194 VanDerWaalsContact C-N 3.28Å; N192-L194 PolarHBondContact O-N 2.92Å; N192-I195 HydrophobicContact CB-CD1 4.07Å; N192-I195 HydrophobicContact CB-CG1 4.44Å; N192-I195 WeakPolarHBondContact ND2-CD1 3.49Å | ||
| 193 | S | 63.8 | Low | 82.2 | Confident | 29 Ų | 29 | 48.3 Ų | 48.3 | 20% | 0.203 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -14.2 | -176.7 | 50.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 194 | L | 63.5 | Low | 82.4 | Confident | 126 Ų | 126 | 43.3 Ų | 43.3 | 66% | 0.66 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -8.2 | -173 | -69.6 | 166.6 | 0 | 0 | 0 | 114.5 | N192 | N192-L194 VanDerWaalsContact C-N 3.28Å; N192-L194 PolarHBondContact O-N 2.92Å |
| 195 | I | 72.5 | Confident | 82.4 | Confident | 31 Ų | 31 | 42.6 Ų | 42.6 | 16% | 0.159 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -95.3 | 130.7 | -177.5 | -53 | 174.7 | 0 | 0 | 0 | 108.7 | E164 N192 F197 | E164-I195 HydrophobicContact CG-CG2 4.46Å; N192-I195 HydrophobicContact CB-CD1 4.07Å; N192-I195 HydrophobicContact CB-CG1 4.44Å; N192-I195 WeakPolarHBondContact ND2-CD1 3.49Å; I195-F197 HydrophobicContact CB-CE2 4.19Å; I195-F197 HydrophobicContact CB-CZ 3.94Å; I195-F197 HydrophobicContact CG2-CZ 4.49Å; I195-F197 WeakPolarHBondContact O-CD2 3.33Å; I195-F197 WeakPolarHBondContact O-CE2 3.23Å; I195-F197 PolarHBondContact O-N 3.33Å |
| 196 | P | 81.5 | Confident | 82.1 | Confident | 49 Ų | 49 | 40.7 Ų | 40.7 | 32% | 0.318 | 21% | 0.214 | S | C | . | . | trans | -70 | 128.1 | 173.7 | 27.1 | -33.5 | 0 | 0 | 0 | 110.2 | P226 E228 | P196-P226 HydrophobicContact CB-CB 3.77Å; P196-E228 HydrophobicContact CB-CG 3.83Å | ||
| 197 | F | 86.2 | Confident | 81.3 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -108.2 | 129.5 | 179.8 | -63 | -80.9 | 0 | 0 | 0 | 111.1 | L136 F161 R162 S163 F188 H190 I195 F199 P226 L227 | L136-F197 HydrophobicContact CD1-CB 4.41Å; L136-F197 HydrophobicContact CD1-CD2 4.25Å; F161-F197 AromaticContact CD2-CD1 4Å; F161-F197 HydrophobicContact CD2-CD1 4Å; F161-F197 HydrophobicContact CD2-CE1 4.37Å; R162-F197 WeakPolarHBondContact O-CA 2.98Å; S163-F197 VanDerWaalsContact CB-CE1 3.49Å; F188-F197 HydrophobicContact CE1-CB 4.48Å; F188-F197 HydrophobicContact CE1-CD1 4.2Å; F188-F197 AromaticContact CE1-CD2 3.76Å; F188-F197 HydrophobicContact CE1-CD2 3.76Å; F188-F197 HydrophobicContact CE1-CE1 4.41Å; F188-F197 HydrophobicContact CE1-CE2 4.01Å; F188-F197 AromaticContact CE1-CG 3.88Å; F188-F197 HydrophobicContact CE1-CG 3.88Å; F188-F197 HydrophobicContact CE1-CZ 4.34Å; F188-F197 HydrophobicContact CZ-CD1 4Å; F188-F197 HydrophobicContact CZ-CD2 4.38Å; F188-F197 HydrophobicContact CZ-CE1 4.15Å; F188-F197 HydrophobicContact CZ-CG 4.13Å; F188-F197 HydrophobicContact CZ-CZ 4.44Å; H190-F197 HydrophobicContact CB-CE2 4.29Å; H190-F197 HydrophobicContact CB-CZ 4.09Å; H190-F197 AromaticContact CD2-CZ 3.37Å; H190-F197 WeakPolarHBondContact CD2-CZ 3Å; H190-F197 AromaticContact CG-CZ 3.8Å; I195-F197 HydrophobicContact CB-CE2 4.19Å; I195-F197 HydrophobicContact CB-CZ 3.94Å; I195-F197 HydrophobicContact CG2-CZ 4.49Å; I195-F197 WeakPolarHBondContact O-CD2 3.33Å; I195-F197 WeakPolarHBondContact O-CE2 3.23Å; I195-F197 PolarHBondContact O-N 3.33Å; F197-F199 HydrophobicContact CB-CD2 4.37Å; F197-F199 HydrophobicContact CB-CE1 4.39Å; F197-F199 HydrophobicContact CB-CE2 3.44Å; F197-F199 VanDerWaalsContact CB-CE2 3.44Å; F197-F199 HydrophobicContact CB-CZ 3.46Å; F197-F199 VanDerWaalsContact CB-CZ 3.46Å; F197-F199 HydrophobicContact CG-CZ 4.27Å; F197-P226 WeakPolarHBondContact O-CA 3.49Å; F197-L227 PolarHBondContact N-O 2.85Å; F197-L227 PolarHBondContact O-N 3.28Å |
| 198 | A | 90.3 | Very high | 80.1 | Confident | 5 Ų | 5 | 38 Ų | 38 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 138.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | F161 R162 E223 P226 | F161-A198 CarbonylContact C-O 3.51Å; F161-A198 VanDerWaalsContact CA-O 3.23Å; F161-A198 WeakPolarHBondContact CA-O 3.44Å; R162-A198 PolarHBondContact N-O 3.22Å; R162-A198 PolarHBondContact O-N 3.16Å; A198-E223 HydrophobicContact CB-CB 4.41Å; A198-P226 HydrophobicContact CB-CG 4.23Å |
| 199 | F | 93 | Very high | 78.5 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 144.5 | -173.8 | -61.9 | -87.4 | 0 | 0 | 0 | 112.2 | P127 V129 L136 I138 V159 L160 F161 F188 F197 E223 S224 | P127-F199 HydrophobicContact CG-CB 4.17Å; P127-F199 WeakPolarHBondContact CG-O 3.29Å; V129-F199 HydrophobicContact CG1-CD2 4.04Å; V129-F199 HydrophobicContact CG1-CE2 4.05Å; V129-F199 HydrophobicContact CG2-CB 4.32Å; V129-F199 HydrophobicContact CG2-CD2 3.86Å; V129-F199 HydrophobicContact CG2-CG 4.41Å; L136-F199 HydrophobicContact CD1-CE2 3.93Å; L136-F199 HydrophobicContact CD1-CZ 4.13Å; I138-F199 HydrophobicContact CD1-CD1 3.54Å; I138-F199 HydrophobicContact CD1-CD2 4.41Å; I138-F199 HydrophobicContact CD1-CE1 3.46Å; I138-F199 VanDerWaalsContact CD1-CE1 3.46Å; I138-F199 HydrophobicContact CD1-CE2 4.33Å; I138-F199 HydrophobicContact CD1-CG 4.03Å; I138-F199 HydrophobicContact CD1-CZ 3.87Å; I138-F199 HydrophobicContact CG1-CD1 4.1Å; I138-F199 HydrophobicContact CG1-CD2 4.2Å; I138-F199 HydrophobicContact CG1-CE1 4.26Å; I138-F199 HydrophobicContact CG1-CE2 4.34Å; I138-F199 HydrophobicContact CG1-CG 4.06Å; I138-F199 HydrophobicContact CG1-CZ 4.36Å; I138-F199 HydrophobicContact CG2-CB 4.39Å; V159-F199 HydrophobicContact CG1-CD1 4.41Å; L160-F199 CarbonylContact O-C 3.52Å; L160-F199 VanDerWaalsContact O-CA 3.3Å; L160-F199 WeakPolarHBondContact O-CA 3Å; F161-F199 HydrophobicContact CB-CD1 3.63Å; F161-F199 HydrophobicContact CB-CE1 3.59Å; F188-F199 HydrophobicContact CB-CE1 4.42Å; F188-F199 HydrophobicContact CB-CZ 4.34Å; F188-F199 HydrophobicContact CD1-CE1 4.19Å; F188-F199 AromaticContact CD1-CZ 3.67Å; F188-F199 HydrophobicContact CD1-CZ 3.67Å; F188-F199 AromaticContact CD2-CE1 3.66Å; F188-F199 HydrophobicContact CD2-CE1 3.66Å; F188-F199 HydrophobicContact CD2-CZ 4.01Å; F188-F199 HydrophobicContact CE1-CE1 4.34Å; F188-F199 AromaticContact CE1-CZ 3.84Å; F188-F199 HydrophobicContact CE1-CZ 3.84Å; F188-F199 AromaticContact CE2-CE1 3.84Å; F188-F199 HydrophobicContact CE2-CE1 3.84Å; F188-F199 HydrophobicContact CE2-CZ 4.18Å; F188-F199 AromaticContact CG-CE1 3.84Å; F188-F199 HydrophobicContact CG-CE1 3.84Å; F188-F199 AromaticContact CG-CZ 3.75Å; F188-F199 HydrophobicContact CG-CZ 3.75Å; F188-F199 HydrophobicContact CZ-CE1 4.17Å; F188-F199 HydrophobicContact CZ-CZ 4.09Å; F197-F199 HydrophobicContact CB-CD2 4.37Å; F197-F199 HydrophobicContact CB-CE1 4.39Å; F197-F199 HydrophobicContact CB-CE2 3.44Å; F197-F199 VanDerWaalsContact CB-CE2 3.44Å; F197-F199 HydrophobicContact CB-CZ 3.46Å; F197-F199 VanDerWaalsContact CB-CZ 3.46Å; F197-F199 HydrophobicContact CG-CZ 4.27Å; F199-E223 CarbonylContact O-C 3.59Å; F199-E223 WeakPolarHBondContact O-CA 3.33Å; F199-S224 PolarHBondContact N-OG 3.14Å; F199-S224 PolarHBondContact O-N 2.79Å |
| 200 | S | 93.5 | Very high | 77.1 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 148.5 | 174.3 | 173.1 | 0 | 0 | 0 | 0 | 109.3 | L160 P220 S221 | L160-S200 WeakPolarHBondContact CA-O 3.34Å; L160-S200 WeakPolarHBondContact CB-O 3.31Å; L160-S200 PolarHBondContact N-O 2.83Å; L160-S200 PolarHBondContact O-N 3.4Å; S200-P220 WeakPolarHBondContact OG-CB 3.32Å; S200-S221 WeakPolarHBondContact CA-OG 2.86Å; S200-S221 PolarHBondContact OG-N 3.35Å; S200-S221 PolarHBondContact OG-O 3.08Å; S200-S221 PolarHBondContact OG-OG 2.87Å |
| 201 | V | 92.5 | Very high | 75.6 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 128.4 | 179.3 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | M123 P127 W140 Y157 V159 S221 | M123-V201 HydrophobicContact CE-CB 4.26Å; P127-V201 HydrophobicContact CB-CG2 3.93Å; P127-V201 HydrophobicContact CG-CG2 4.07Å; W140-V201 HydrophobicContact CB-CG2 4.49Å; W140-V201 HydrophobicContact CD2-CG1 4.17Å; W140-V201 HydrophobicContact CD2-CG2 3.98Å; W140-V201 HydrophobicContact CE3-CG2 3.96Å; W140-V201 HydrophobicContact CG-CG1 4.21Å; W140-V201 HydrophobicContact CG-CG2 4.22Å; Y157-V201 HydrophobicContact CD1-CG1 4.02Å; Y157-V201 HydrophobicContact CG-CG1 4.41Å; V159-V201 HydrophobicContact CG2-CG2 4.32Å; V201-S221 PolarHBondContact N-OG 2.05Å; V201-S221 WeakPolarHBondContact O-CB 3.47Å; V201-S221 PolarHBondContact O-N 2.96Å |
| 202 | R | 92.4 | Very high | 74.2 | Confident | 37 Ų | 37 | 44.7 Ų | 44.7 | 14% | 0.14 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 124.7 | 176.3 | -170 | -176.2 | 75.3 | -176.6 | 4.4 | 110.3 | Y157 T158 L160 D204 E217 G218 P220 | Y157-R202 CarbonylContact C-O 3.57Å; Y157-R202 WeakPolarHBondContact CA-O 2.92Å; T158-R202 PolarHBondContact N-O 3.11Å; T158-R202 PolarHBondContact O-N 3Å; L160-R202 HydrophobicContact CD1-CB 4.08Å; R202-D204 IonicContact CZ-OD1 2.99Å; R202-D204 IonicContact CZ-OD2 3.36Å; R202-D204 IonicContact NE-OD1 3.09Å; R202-D204 PolarHBondContact NE-OD1 3.21Å; R202-D204 IonicContact NE-OD2 3.88Å; R202-D204 IonicContact NH2-OD1 3.5Å; R202-D204 PolarHBondContact NH2-OD1 3.3Å; R202-D204 IonicContact NH2-OD2 3.69Å; R202-D204 PolarHBondContact NH2-OD2 2.85Å; R202-E217 VanDerWaalsContact CZ-CD 3.47Å; R202-E217 IonicContact CZ-OE1 3.84Å; R202-E217 VanDerWaalsContact CZ-OE1 3.27Å; R202-E217 IonicContact CZ-OE2 3.84Å; R202-E217 IonicContact NH1-OE1 3.29Å; R202-E217 PolarHBondContact NH1-OE1 2.03Å; R202-E217 IonicContact NH1-OE2 3.54Å; R202-E217 PolarHBondContact NH1-OE2 3.32Å; R202-E217 VanDerWaalsContact NH2-CD 3.32Å; R202-E217 IonicContact NH2-OE1 3.91Å; R202-E217 PolarHBondContact NH2-OE1 3.41Å; R202-G218 VanDerWaalsContact CD-O 3.31Å; R202-G218 WeakPolarHBondContact CD-O 3.48Å; R202-G218 WeakPolarHBondContact CG-O 3.18Å; R202-P220 HydrophobicContact CG-CG 4.34Å |
| 203 | A | 89.8 | Confident | 73.9 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 2% | 0.017 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 105.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | T121 Y148 I154 Y157 G218 | T121-A203 HydrophobicContact CG2-CB 3.96Å; Y148-A203 HydrophobicContact CD1-CB 4.45Å; Y148-A203 HydrophobicContact CE1-CB 3.97Å; I154-A203 HydrophobicContact CD1-CB 3.49Å; I154-A203 VanDerWaalsContact CD1-CB 3.49Å; I154-A203 HydrophobicContact CG1-CB 4.2Å; I154-A203 HydrophobicContact CG2-CB 4.33Å; Y157-A203 HydrophobicContact CD1-CB 4.08Å; Y157-A203 HydrophobicContact CE1-CB 4.05Å; A203-G218 WeakPolarHBondContact O-CA 3.32Å; A203-G218 PolarHBondContact O-N 2.83Å |
| 204 | D | 88.9 | Confident | 74.3 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.011 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 130.1 | 177.2 | -61.1 | -17 | 0 | 0 | 0 | 109.2 | V155 K156 R202 I215 E217 G218 | V155-D204 PolarHBondContact N-O 3.2Å; K156-D204 WeakPolarHBondContact CE-OD2 3.16Å; K156-D204 HydrophobicContact CG-CB 3.93Å; K156-D204 PolarHBondContact N-O 3.01Å; K156-D204 IonicContact NZ-OD2 2.78Å; K156-D204 PolarHBondContact O-N 3Å; R202-D204 IonicContact CZ-OD1 2.99Å; R202-D204 IonicContact CZ-OD2 3.36Å; R202-D204 IonicContact NE-OD1 3.09Å; R202-D204 PolarHBondContact NE-OD1 3.21Å; R202-D204 IonicContact NE-OD2 3.88Å; R202-D204 IonicContact NH2-OD1 3.5Å; R202-D204 PolarHBondContact NH2-OD1 3.3Å; R202-D204 IonicContact NH2-OD2 3.69Å; R202-D204 PolarHBondContact NH2-OD2 2.85Å; D204-I215 HydrophobicContact CB-CG2 3.93Å; D204-E217 WeakPolarHBondContact OD1-CA 3.1Å; D204-G218 PolarHBondContact OD1-N 2.71Å |
| 205 | F | 87.7 | Confident | 75 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 152.4 | -166.6 | 64.1 | -82.7 | 0 | 0 | 0 | 112.3 | Y112 R120 T121 S151 N153 V207 I215 V216 | Y112-F205 HydrophobicContact CD1-CZ 4.21Å; Y112-F205 AromaticContact CE1-CE2 4Å; Y112-F205 HydrophobicContact CE1-CE2 4Å; Y112-F205 AromaticContact CE1-CZ 3.75Å; Y112-F205 HydrophobicContact CE1-CZ 3.75Å; Y112-F205 HydrophobicContact CE2-CE2 4.32Å; Y112-F205 AromaticContact CZ-CE2 3.73Å; Y112-F205 AromaticContact CZ-CZ 3.92Å; R120-F205 HydrophobicContact CB-CE1 4.29Å; R120-F205 HydrophobicContact CB-CZ 4.47Å; T121-F205 VanDerWaalsContact N-CE1 3.28Å; T121-F205 VanDerWaalsContact OG1-CD1 3.24Å; T121-F205 WeakPolarHBondContact OG1-CD1 3.29Å; T121-F205 WeakPolarHBondContact OG1-CG 3.31Å; S151-F205 VanDerWaalsContact CB-CD2 3.46Å; N153-F205 CarbonylContact O-C 3.52Å; N153-F205 VanDerWaalsContact O-CA 3.25Å; N153-F205 WeakPolarHBondContact O-CA 3.23Å; N153-F205 WeakPolarHBondContact O-CB 3.28Å; F205-V207 HydrophobicContact CD2-CG2 3.87Å; F205-V207 HydrophobicContact CE2-CG2 3.5Å; F205-V207 HydrophobicContact CZ-CG2 4.49Å; F205-I215 WeakPolarHBondContact O-CA 3.48Å; F205-V216 WeakPolarHBondContact CD1-O 3.31Å; F205-V216 HydrophobicContact CE1-CB 4.04Å; F205-V216 HydrophobicContact CE1-CG1 3.94Å; F205-V216 HydrophobicContact CE2-CB 4.06Å; F205-V216 HydrophobicContact CE2-CG1 4.42Å; F205-V216 HydrophobicContact CZ-CB 3.76Å; F205-V216 HydrophobicContact CZ-CG1 3.68Å; F205-V216 PolarHBondContact N-O 3.22Å; F205-V216 PolarHBondContact O-N 2.77Å |
| 206 | L | 81.9 | Confident | 75.4 | Confident | 34 Ų | 34 | 47.9 Ų | 47.9 | 18% | 0.178 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 135.9 | 179.7 | -161.1 | 70.3 | 0 | 0 | 0 | 110.5 | N153 V155 E213 I215 | N153-L206 HydrophobicContact CB-CB 4.49Å; N153-L206 PolarHBondContact O-N 2.67Å; V155-L206 HydrophobicContact CG2-CB 3.69Å; V155-L206 HydrophobicContact CG2-CD1 4.29Å; L206-E213 HydrophobicContact CD1-CB 4.02Å; L206-E213 HydrophobicContact CD2-CB 4.27Å; L206-E213 WeakPolarHBondContact CD2-OE2 3.35Å; L206-E213 HydrophobicContact CG-CB 4.16Å; L206-I215 HydrophobicContact CD1-CG1 3.96Å |
| 207 | V | 73.4 | Confident | 75.6 | Confident | 7 Ų | 7 | 50.6 Ų | 50.6 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 109.1 | 171.7 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | Y112 F205 V209 Y214 V216 | Y112-V207 HydrophobicContact CE2-CG1 4.23Å; Y112-V207 HydrophobicContact CE2-CG2 3.67Å; F205-V207 HydrophobicContact CD2-CG2 3.87Å; F205-V207 HydrophobicContact CE2-CG2 3.5Å; F205-V207 HydrophobicContact CZ-CG2 4.49Å; V207-V209 HydrophobicContact CG1-CG2 4.36Å; V207-Y214 HydrophobicContact CB-CE1 4.23Å; V207-Y214 HydrophobicContact CB-CE2 4.34Å; V207-Y214 HydrophobicContact CG1-CE1 4.13Å; V207-Y214 PolarHBondContact N-O 3.26Å; V207-Y214 PolarHBondContact O-N 2.55Å; V207-V216 HydrophobicContact CB-CG2 4.26Å; V207-V216 HydrophobicContact CG2-CB 4.12Å; V207-V216 HydrophobicContact CG2-CG2 3.54Å |
| 208 | S | 60.3 | Low | 75.7 | Confident | 71 Ų | 71 | 51 Ų | 51 | 50% | 0.497 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 117.8 | 172.8 | -45.5 | 0 | 0 | 0 | 0 | 109.3 | E213 | S208-E213 PolarHBondContact OG-OE1 2.83Å |
| 209 | V | 52.4 | Low | 75.6 | Confident | 74 Ų | 74 | 51.6 Ų | 51.6 | 45% | 0.448 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 151.8 | 166 | -179.6 | 0 | 0 | 0 | 0 | 106.8 | V207 T211 D212 Y214 | V207-V209 HydrophobicContact CG1-CG2 4.36Å; V209-T211 PolarHBondContact O-N 3.23Å; V209-D212 PolarHBondContact N-O 2.89Å; V209-D212 PolarHBondContact O-N 3.13Å; V209-D212 VanDerWaalsContact O-O 3.06Å; V209-Y214 HydrophobicContact CG2-CE1 3.75Å |
| 210 | V | 46.8 | Very low | 75.5 | Confident | 152 Ų | 152 | 54 Ų | 54 | 92% | 0.921 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.4 | -16.5 | -170.5 | -179.2 | 0 | 0 | 0 | 0 | 115.3 | ||
| 211 | T | 43.1 | Very low | 75.4 | Confident | 121 Ų | 121 | 54.3 Ų | 54.3 | 74% | 0.742 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.7 | -0.1 | 174.8 | 61 | 0 | 0 | 0 | 0 | 116.3 | V209 | V209-T211 PolarHBondContact O-N 3.23Š|
| 212 | D | 38.6 | Very low | 75.4 | Confident | 119 Ų | 119 | 57 Ų | 57 | 64% | 0.636 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 148.3 | -176.5 | -86.5 | -40 | 0 | 0 | 0 | 111.6 | V209 | V209-D212 PolarHBondContact N-O 2.89Å; V209-D212 PolarHBondContact O-N 3.13Å; V209-D212 VanDerWaalsContact O-O 3.06Å |
| 213 | E | 59.7 | Low | 75.2 | Confident | 125 Ų | 125 | 58.8 Ų | 58.8 | 58% | 0.584 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 133.5 | 172.5 | -54.1 | -165.2 | 131.1 | 0 | 0 | 110.4 | L206 S208 | L206-E213 HydrophobicContact CD1-CB 4.02Å; L206-E213 HydrophobicContact CD2-CB 4.27Å; L206-E213 WeakPolarHBondContact CD2-OE2 3.35Å; L206-E213 HydrophobicContact CG-CB 4.16Å; S208-E213 PolarHBondContact OG-OE1 2.83Å |
| 214 | Y | 72.2 | Confident | 75.3 | Confident | 107 Ų | 107 | 59 Ų | 59 | 42% | 0.42 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 150.9 | 174.1 | 64.2 | -83 | 0 | 0 | 0 | 111.4 | V207 V209 V216 | V207-Y214 HydrophobicContact CB-CE1 4.23Å; V207-Y214 HydrophobicContact CB-CE2 4.34Å; V207-Y214 HydrophobicContact CG1-CE1 4.13Å; V207-Y214 PolarHBondContact N-O 3.26Å; V207-Y214 PolarHBondContact O-N 2.55Å; V209-Y214 HydrophobicContact CG2-CE1 3.75Å; Y214-V216 HydrophobicContact CD2-CG2 3.65Å; Y214-V216 HydrophobicContact CE2-CG2 3.26Å |
| 215 | I | 78.4 | Confident | 75.1 | Confident | 89 Ų | 89 | 63.5 Ų | 63.5 | 46% | 0.456 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 126.1 | 179.5 | -58.3 | 173.9 | 0 | 0 | 0 | 108.7 | V155 D204 F205 L206 | V155-I215 HydrophobicContact CG1-CD1 4.13Å; V155-I215 HydrophobicContact CG2-CG1 4.37Å; D204-I215 HydrophobicContact CB-CG2 3.93Å; F205-I215 WeakPolarHBondContact O-CA 3.48Å; L206-I215 HydrophobicContact CD1-CG1 3.96Å |
| 216 | V | 80.7 | Confident | 75 | Confident | 11 Ų | 11 | 67.6 Ų | 67.6 | 7% | 0.067 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 131.9 | 172.9 | 178.3 | 0 | 0 | 0 | 0 | 108.8 | Y112 R120 F205 V207 Y214 G218 | Y112-V216 HydrophobicContact CD2-CG1 4.32Å; Y112-V216 HydrophobicContact CD2-CG2 4.3Å; Y112-V216 HydrophobicContact CE2-CG2 4.49Å; Y112-V216 HydrophobicContact CG-CG1 4.3Å; R120-V216 HydrophobicContact CG-CG1 4.44Å; F205-V216 WeakPolarHBondContact CD1-O 3.31Å; F205-V216 HydrophobicContact CE1-CB 4.04Å; F205-V216 HydrophobicContact CE1-CG1 3.94Å; F205-V216 HydrophobicContact CE2-CB 4.06Å; F205-V216 HydrophobicContact CE2-CG1 4.42Å; F205-V216 HydrophobicContact CZ-CB 3.76Å; F205-V216 HydrophobicContact CZ-CG1 3.68Å; F205-V216 PolarHBondContact N-O 3.22Å; F205-V216 PolarHBondContact O-N 2.77Å; V207-V216 HydrophobicContact CB-CG2 4.26Å; V207-V216 HydrophobicContact CG2-CB 4.12Å; V207-V216 HydrophobicContact CG2-CG2 3.54Å; Y214-V216 HydrophobicContact CD2-CG2 3.65Å; Y214-V216 HydrophobicContact CE2-CG2 3.26Å; V216-G218 PolarHBondContact O-N 3.47Å |
| 217 | E | 86 | Confident | 74.9 | Confident | 106 Ų | 106 | 68.6 Ų | 68.6 | 50% | 0.495 | 39% | 0.388 | S | S | . | . | trans | -65.7 | 130.9 | 173.4 | -59.7 | -165.4 | 137.6 | 0 | 0 | 110.6 | R120 R202 D204 | R120-E217 PolarHBondContact NH1-O 3.29Å; R202-E217 VanDerWaalsContact CZ-CD 3.47Å; R202-E217 IonicContact CZ-OE1 3.84Å; R202-E217 VanDerWaalsContact CZ-OE1 3.27Å; R202-E217 IonicContact CZ-OE2 3.84Å; R202-E217 IonicContact NH1-OE1 3.29Å; R202-E217 PolarHBondContact NH1-OE1 2.03Å; R202-E217 IonicContact NH1-OE2 3.54Å; R202-E217 PolarHBondContact NH1-OE2 3.32Å; R202-E217 VanDerWaalsContact NH2-CD 3.32Å; R202-E217 IonicContact NH2-OE1 3.91Å; R202-E217 PolarHBondContact NH2-OE1 3.41Å; D204-E217 WeakPolarHBondContact OD1-CA 3.1Å | ||
| 218 | G | 87.8 | Confident | 75.1 | Confident | 7 Ų | 7 | 71.2 Ų | 71.2 | 7% | 0.072 | 40% | 0.4 | C | S | . | . | trans | -73.6 | -177.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | T121 R202 A203 D204 V216 | T121-G218 CarbonylContact O-C 3.6Å; T121-G218 VanDerWaalsContact O-CA 3.23Å; T121-G218 WeakPolarHBondContact O-CA 3.5Å; R202-G218 VanDerWaalsContact CD-O 3.31Å; R202-G218 WeakPolarHBondContact CD-O 3.48Å; R202-G218 WeakPolarHBondContact CG-O 3.18Å; A203-G218 WeakPolarHBondContact O-CA 3.32Å; A203-G218 PolarHBondContact O-N 2.83Å; D204-G218 PolarHBondContact OD1-N 2.71Å; V216-G218 PolarHBondContact O-N 3.47Å | ||
| 219 | V | 89.1 | Confident | 75.7 | Confident | 19 Ų | 19 | 68.6 Ų | 68.6 | 12% | 0.115 | 38% | 0.38 | C | S | . | . | B | Isolated β-bridge | trans | -91.2 | 129.4 | 170.4 | -173.7 | 0 | 0 | 0 | 0 | 108.5 | R120 T121 K122 | R120-V219 HydrophobicContact CB-CG2 3.83Å; T121-V219 PolarHBondContact O-N 3.12Å; K122-V219 HydrophobicContact CB-CB 3.91Å; K122-V219 HydrophobicContact CB-CG2 4.39Å; K122-V219 HydrophobicContact CD-CB 4.04Å; K122-V219 HydrophobicContact CD-CG1 3.91Å; K122-V219 HydrophobicContact CG-CB 3.87Å; K122-V219 HydrophobicContact CG-CG1 4.12Å |
| 220 | P | 90.5 | Very high | 76.3 | Confident | 50 Ų | 50 | 71.7 Ų | 71.7 | 33% | 0.325 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 141 | 174 | -24.2 | 33.6 | 0 | 0 | 0 | 111.7 | L160 S200 R202 | L160-P220 HydrophobicContact CD1-CB 3.96Å; L160-P220 HydrophobicContact CD1-CG 4.07Å; S200-P220 WeakPolarHBondContact OG-CB 3.32Å; R202-P220 HydrophobicContact CG-CG 4.34Å |
| 221 | S | 91.7 | Very high | 77.4 | Confident | 6 Ų | 6 | 64.9 Ų | 64.9 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 163.2 | 172.6 | 74.5 | 0 | 0 | 0 | 0 | 111.4 | S200 V201 | S200-S221 WeakPolarHBondContact CA-OG 2.86Å; S200-S221 PolarHBondContact OG-N 3.35Å; S200-S221 PolarHBondContact OG-O 3.08Å; S200-S221 PolarHBondContact OG-OG 2.87Å; V201-S221 PolarHBondContact N-OG 2.05Å; V201-S221 WeakPolarHBondContact O-CB 3.47Å; V201-S221 PolarHBondContact O-N 2.96Å |
| 222 | P | 91.1 | Very high | 78.8 | Confident | 59 Ų | 59 | 62.8 Ų | 62.8 | 38% | 0.383 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -50.2 | 147.3 | 160.4 | -23.2 | 34 | 0 | 0 | 0 | 111 | P126 | P126-P222 WeakPolarHBondContact CA-O 3.03Å; P126-P222 HydrophobicContact CB-CB 4.31Å; P126-P222 WeakPolarHBondContact CB-O 3.25Å |
| 223 | E | 89.9 | Confident | 80.4 | Confident | 74 Ų | 74 | 59.5 Ų | 59.5 | 35% | 0.346 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 141 | 178.1 | -68 | 174 | -156.8 | 0 | 0 | 110.5 | R162 L168 A198 F199 | R162-E223 IonicContact CZ-OE1 2.65Å; R162-E223 IonicContact CZ-OE2 2.81Å; R162-E223 IonicContact NH1-OE1 2.67Å; R162-E223 PolarHBondContact NH1-OE1 2.94Å; R162-E223 IonicContact NH1-OE2 3.75Å; R162-E223 PolarHBondContact NH1-OE2 3.42Å; R162-E223 IonicContact NH2-OE1 3.82Å; R162-E223 PolarHBondContact NH2-OE1 2.94Å; L168-E223 HydrophobicContact CD2-CG 4.46Å; A198-E223 HydrophobicContact CB-CB 4.41Å; F199-E223 CarbonylContact O-C 3.59Å; F199-E223 WeakPolarHBondContact O-CA 3.33Å |
| 224 | S | 90.7 | Very high | 81.3 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 5% | 0.049 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 156.2 | 168 | 72.8 | 0 | 0 | 0 | 0 | 110.3 | F199 | F199-S224 PolarHBondContact N-OG 3.14Å; F199-S224 PolarHBondContact O-N 2.79Å |
| 225 | S | 85 | Confident | 81.5 | Confident | 96 Ų | 96 | 50.5 Ų | 50.5 | 67% | 0.671 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 134.6 | 165.2 | 51.4 | 0 | 0 | 0 | 0 | 109.5 | L227 | S225-L227 PolarHBondContact O-N 3.18Š|
| 226 | P | 85.5 | Confident | 81.6 | Confident | 86 Ų | 86 | 55.2 Ų | 55.2 | 56% | 0.558 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 129.9 | 177.8 | -20.7 | 29.2 | 0 | 0 | 0 | 111.3 | P196 F197 A198 | P196-P226 HydrophobicContact CB-CB 3.77Å; F197-P226 WeakPolarHBondContact O-CA 3.49Å; A198-P226 HydrophobicContact CB-CG 4.23Å |
| 227 | L | 80.2 | Confident | 81.8 | Confident | 54 Ų | 54 | 56.3 Ų | 56.3 | 28% | 0.283 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | -131.3 | 139.7 | -178.9 | -166.7 | 68.9 | 0 | 0 | 0 | 111.4 | V129 L136 F197 S225 | V129-L227 HydrophobicContact CB-CD2 4.49Å; V129-L227 HydrophobicContact CG1-CB 4.47Å; V129-L227 HydrophobicContact CG1-CD2 4.08Å; L136-L227 HydrophobicContact CD2-CD2 4.1Å; L136-L227 HydrophobicContact CD2-CG 4.32Å; F197-L227 PolarHBondContact N-O 2.85Å; F197-L227 PolarHBondContact O-N 3.28Å; S225-L227 PolarHBondContact O-N 3.18Å |
| 228 | E | 77.3 | Confident | 81.8 | Confident | 63 Ų | 63 | 53.5 Ų | 53.5 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | trans | -102.8 | 158 | 176.1 | -65.9 | 162 | -167.5 | 0 | 0 | 110.7 | P196 K230 | P196-E228 HydrophobicContact CB-CG 3.83Å; E228-K230 HydrophobicContact CB-CG 4.16Å; E228-K230 PolarHBondContact O-N 2.78Å; E228-K230 WeakPolarHBondContact OE2-CE 3.28Å; E228-K230 IonicContact OE2-NZ 3.76Å | ||
| 229 | I | 73.5 | Confident | 81.9 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 8% | 0.077 | 31% | 0.306 | C | S | . | . | trans | -77.7 | 105.2 | 170.5 | -59 | 170.4 | 0 | 0 | 0 | 107.8 | L136 V317 | L136-I229 HydrophobicContact CD1-CG1 4.35Å; L136-I229 HydrophobicContact CD2-CG1 3.86Å; L136-I229 HydrophobicContact CG-CD1 4.45Å; L136-I229 HydrophobicContact CG-CG1 3.68Å; I229-V317 HydrophobicContact CG2-CG1 4.41Å | ||
| 230 | K | 65.7 | Low | 81.6 | Confident | 139 Ų | 139 | 57.6 Ų | 57.6 | 60% | 0.604 | 32% | 0.323 | S | S | * | . | trans | -110.9 | 127 | -175.4 | -68.4 | -173.9 | 178.5 | -177.3 | 0 | 112 | E228 | E228-K230 HydrophobicContact CB-CG 4.16Å; E228-K230 PolarHBondContact O-N 2.78Å; E228-K230 WeakPolarHBondContact OE2-CE 3.28Å; E228-K230 IonicContact OE2-NZ 3.76Å | ||
| 231 | C | 69.5 | Low | 81.1 | Confident | 9 Ų | 9 | 58.2 Ų | 58.2 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -105.6 | 136.3 | 167.1 | -84.9 | 0 | 0 | 0 | 0 | 111.9 | C133 V317 S320 | C133-C231 WeakPolarHBondContact CB-SG 3.41Å; C133-C231 PolarHBondContact O-SG 2.88Å; C133-C231 WeakPolarHBondContact SG-CA 3.28Å; C133-C231 WeakPolarHBondContact SG-CB 3.26Å; C133-C231 CovalentContact SG-SG 2.03Å; C133-C231 PolarHBondContact SG-SG 3.05Å; C231-V317 HydrophobicContact CB-CG1 4.44Å; C231-S320 PolarHBondContact O-N 2.65Å; C231-S320 PolarHBondContact O-OG 2.78Å |
| 232 | S | 71.5 | Confident | 80.6 | Confident | 77 Ų | 77 | 62 Ų | 62 | 54% | 0.538 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 146.1 | 177.6 | 49.6 | 0 | 0 | 0 | 0 | 112.7 | T319 | S232-T319 VanDerWaalsContact O-CB 3.29Å; S232-T319 WeakPolarHBondContact O-CB 3.46Å; S232-T319 WeakPolarHBondContact O-CG2 3.09Å |
| 233 | A | 72.7 | Confident | 80.2 | Confident | 50 Ų | 50 | 64.3 Ų | 64.3 | 41% | 0.413 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 155.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S320 | A233-S320 WeakPolarHBondContact CA-OG 3.3Å; A233-S320 WeakPolarHBondContact CB-OG 3.49Å; A233-S320 PolarHBondContact N-OG 3.05Å |
| 234 | L | 77.8 | Confident | 79.9 | Confident | 6 Ų | 6 | 62.7 Ų | 62.7 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 132.9 | 169.1 | -78.1 | 169.2 | 0 | 0 | 0 | 110.5 | V237 P253 I258 V261 | L234-V237 HydrophobicContact CB-CG2 4.08Å; L234-P253 HydrophobicContact CD2-CB 4.05Å; L234-P253 HydrophobicContact CD2-CG 4.42Å; L234-I258 HydrophobicContact CD2-CG2 4.44Å; L234-V261 HydrophobicContact CD1-CG1 3.93Å; L234-V261 HydrophobicContact CD1-CG2 3.87Å |
| 235 | P | 76.9 | Confident | 79.6 | Confident | 38 Ų | 38 | 62.5 Ų | 62.5 | 25% | 0.247 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 139.1 | -177.9 | 29.6 | -32.5 | 0 | 0 | 0 | 112.2 | N251 D252 | P235-N251 HydrophobicContact CB-CB 4.46Å; P235-N251 HydrophobicContact CG-CB 4.12Å; P235-N251 PolarHBondContact O-N 3.3Å; P235-D252 VanDerWaalsContact CG-O 3.29Å; P235-D252 WeakPolarHBondContact CG-O 3.22Å |
| 236 | Y | 81.3 | Confident | 79.7 | Confident | 188 Ų | 188 | 58 Ų | 58 | 74% | 0.737 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 46.7 | 170.2 | -55.2 | -81.7 | 0 | 0 | 0 | 117.4 | N251 | Y236-N251 HydrophobicContact CD2-CB 3.94Å; Y236-N251 WeakPolarHBondContact CD2-ND2 3.23Å |
| 237 | V | 84.8 | Confident | 79.8 | Confident | 34 Ų | 34 | 56.2 Ų | 56.2 | 21% | 0.206 | 30% | 0.303 | C | S | . | . | trans | -73.3 | 128.8 | 174.4 | -177.6 | 0 | 0 | 0 | 0 | 111.8 | L234 R249 W250 V309 | L234-V237 HydrophobicContact CB-CG2 4.08Å; V237-R249 CarbonylContact C-O 3.59Å; V237-R249 VanDerWaalsContact CA-O 3.23Å; V237-R249 WeakPolarHBondContact CA-O 3.41Å; V237-W250 HydrophobicContact CG2-CB 4.06Å; V237-V309 HydrophobicContact CG1-CB 3.85Å; V237-V309 HydrophobicContact CG1-CG1 4.09Å; V237-V309 HydrophobicContact CG1-CG2 3.96Å; V237-V309 HydrophobicContact CG2-CG1 4.47Å | ||
| 238 | S | 86.2 | Confident | 80.3 | Confident | 47 Ų | 47 | 53.7 Ų | 53.7 | 33% | 0.329 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 139.2 | 175.1 | 72.9 | 0 | 0 | 0 | 0 | 112.7 | I248 R249 | S238-I248 CarbonylContact O-C 3.6Å; S238-I248 VanDerWaalsContact O-CA 3.29Å; S238-I248 WeakPolarHBondContact O-CA 3.36Å; S238-R249 PolarHBondContact N-O 3.31Å; S238-R249 PolarHBondContact O-N 3.42Å |
| 239 | V | 88.4 | Confident | 80.9 | Confident | 20 Ų | 20 | 56.3 Ų | 56.3 | 12% | 0.121 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 122.1 | -176 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | V246 N247 I248 V307 T324 | V239-V246 HydrophobicContact CG1-CG2 3.44Å; V239-V246 VanDerWaalsContact CG1-CG2 3.44Å; V239-N247 CarbonylContact C-O 3.5Å; V239-N247 WeakPolarHBondContact CA-O 3.46Å; V239-I248 HydrophobicContact CG1-CG1 4.26Å; V239-I248 HydrophobicContact CG2-CG1 4.31Å; V239-I248 HydrophobicContact CG2-CG2 4.34Å; V239-V307 HydrophobicContact CG1-CB 4.06Å; V239-V307 HydrophobicContact CG1-CG1 4.04Å; V239-V307 HydrophobicContact CG1-CG2 4.24Å; V239-V307 HydrophobicContact CG2-CG1 4.27Å; V239-T324 HydrophobicContact CB-CG2 4.38Å |
| 240 | I | 82.4 | Confident | 81.6 | Confident | 91 Ų | 91 | 55.8 Ų | 55.8 | 47% | 0.467 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 121.3 | -175.7 | -53.9 | 172.9 | 0 | 0 | 0 | 111.3 | V246 N247 | I240-V246 WeakPolarHBondContact O-CA 3.38Å; I240-V246 WeakPolarHBondContact O-CG2 3.47Å; I240-N247 PolarHBondContact N-O 3.35Å; I240-N247 PolarHBondContact O-N 3.08Å |
| 241 | P | 81 | Confident | 82.4 | Confident | 63 Ų | 63 | 53 Ų | 53 | 41% | 0.409 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 147.2 | 177.8 | 32.1 | -33.2 | 0 | 0 | 0 | 113.5 | I326 | P241-I326 HydrophobicContact CB-CB 4.1Å; P241-I326 HydrophobicContact CB-CD1 4.23Å; P241-I326 HydrophobicContact CB-CG2 4.1Å; P241-I326 HydrophobicContact CG-CB 4.22Å; P241-I326 HydrophobicContact CG-CG2 3.9Å |
| 242 | N | 80.9 | Confident | 82.9 | Confident | 86 Ų | 86 | 57 Ų | 57 | 46% | 0.46 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 106 | 178.8 | -178.5 | 16.1 | 0 | 0 | 0 | 111.1 | N244 S245 | N242-N244 PolarHBondContact O-N 3.37Å; N242-S245 PolarHBondContact N-O 2.83Å; N242-S245 PolarHBondContact O-N 2.81Å; N242-S245 PolarHBondContact O-OG 3.32Å; N242-S245 VanDerWaalsContact O-OG 3.05Å |
| 243 | N | 83.4 | Confident | 83.1 | Confident | 108 Ų | 108 | 54.7 Ų | 54.7 | 58% | 0.578 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | -96.3 | -174 | -69.7 | -3.2 | 0 | 0 | 0 | 113.4 | T328 | N243-T328 VanDerWaalsContact O-CB 3.32Å; N243-T328 WeakPolarHBondContact O-CB 3.3Å |
| 244 | N | 82.9 | Confident | 82.9 | Confident | 39 Ų | 39 | 61.6 Ų | 61.6 | 21% | 0.209 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | 27.9 | 179.1 | 66.3 | -8 | 0 | 0 | 0 | 112.2 | N242 Q298 L299 Y301 | N242-N244 PolarHBondContact O-N 3.37Å; N244-Q298 PolarHBondContact ND2-NE2 2.9Å; N244-Q298 PolarHBondContact O-NE2 3.31Å; N244-Q298 VanDerWaalsContact O-NE2 3.16Å; N244-Q298 PolarHBondContact OD1-NE2 2.69Å; N244-L299 WeakPolarHBondContact CB-O 3.27Å; N244-L299 CarbonylContact O-C 3.55Å; N244-L299 WeakPolarHBondContact O-CA 3.44Å; N244-L299 PolarHBondContact O-N 3.49Å; N244-Y301 HydrophobicContact CB-CD1 4.18Å; N244-Y301 HydrophobicContact CB-CE1 3.79Å; N244-Y301 HydrophobicContact CB-CE2 4.15Å; N244-Y301 PolarHBondContact ND2-OH 3.33Å |
| 245 | S | 83.8 | Confident | 82.5 | Confident | 4 Ų | 4 | 63.1 Ų | 63.1 | 3% | 0.028 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 167.1 | 176.4 | 68.3 | 0 | 0 | 0 | 0 | 112.1 | N242 Q296 L297 | N242-S245 PolarHBondContact N-O 2.83Å; N242-S245 PolarHBondContact O-N 2.81Å; N242-S245 PolarHBondContact O-OG 3.32Å; N242-S245 VanDerWaalsContact O-OG 3.05Å; S245-Q296 PolarHBondContact OG-NE2 2.91Å; S245-Q296 VanDerWaalsContact OG-NE2 3.09Å; S245-L297 CarbonylContact C-O 3.57Å; S245-L297 WeakPolarHBondContact CA-O 3.05Å; S245-L297 WeakPolarHBondContact CB-O 3.49Å |
| 246 | V | 87.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 138 | 177 | 65 | 0 | 0 | 0 | 0 | 111.6 | V239 I240 I248 Q296 L297 L299 I326 | V239-V246 HydrophobicContact CG1-CG2 3.44Å; V239-V246 VanDerWaalsContact CG1-CG2 3.44Å; I240-V246 WeakPolarHBondContact O-CA 3.38Å; I240-V246 WeakPolarHBondContact O-CG2 3.47Å; V246-I248 HydrophobicContact CG1-CD1 4.35Å; V246-I248 HydrophobicContact CG2-CG1 4.41Å; V246-Q296 CarbonylContact O-C 3.48Å; V246-Q296 WeakPolarHBondContact O-CA 3.5Å; V246-L297 HydrophobicContact CG1-CB 3.8Å; V246-L297 HydrophobicContact CG1-CD2 4.2Å; V246-L297 HydrophobicContact CG1-CG 4.43Å; V246-L297 PolarHBondContact N-O 3.09Å; V246-L297 PolarHBondContact O-N 2.8Å; V246-L299 HydrophobicContact CB-CD1 4.09Å; V246-L299 HydrophobicContact CG1-CD1 3.77Å; V246-L299 HydrophobicContact CG1-CG 4.4Å; V246-I326 HydrophobicContact CB-CD1 3.86Å; V246-I326 HydrophobicContact CG1-CD1 4.36Å; V246-I326 HydrophobicContact CG2-CD1 3.81Å |
| 247 | N | 88.4 | Confident | 81.9 | Confident | 50 Ų | 50 | 59.6 Ų | 59.6 | 27% | 0.267 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 136 | 176.6 | -76.5 | -11.2 | 0 | 0 | 0 | 111.8 | V239 I240 I295 Q296 | V239-N247 CarbonylContact C-O 3.5Å; V239-N247 WeakPolarHBondContact CA-O 3.46Å; I240-N247 PolarHBondContact N-O 3.35Å; I240-N247 PolarHBondContact O-N 3.08Å; N247-I295 CarbonylContact C-O 3.54Å; N247-I295 WeakPolarHBondContact CA-O 3.23Å; N247-Q296 WeakPolarHBondContact OD1-CA 3.46Å; N247-Q296 WeakPolarHBondContact OD1-CB 3.17Å; N247-Q296 WeakPolarHBondContact OD1-CG 3.18Å |
| 248 | I | 90.7 | Very high | 81.5 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 131.1 | -169.7 | -55.3 | 168.5 | 0 | 0 | 0 | 111.6 | S238 V239 V246 W250 I263 I295 V307 V309 | S238-I248 CarbonylContact O-C 3.6Å; S238-I248 VanDerWaalsContact O-CA 3.29Å; S238-I248 WeakPolarHBondContact O-CA 3.36Å; V239-I248 HydrophobicContact CG1-CG1 4.26Å; V239-I248 HydrophobicContact CG2-CG1 4.31Å; V239-I248 HydrophobicContact CG2-CG2 4.34Å; V246-I248 HydrophobicContact CG1-CD1 4.35Å; V246-I248 HydrophobicContact CG2-CG1 4.41Å; I248-W250 HydrophobicContact CG2-CE3 4.38Å; I248-W250 HydrophobicContact CG2-CZ3 4.2Å; I248-I263 HydrophobicContact CB-CD1 4.47Å; I248-I263 HydrophobicContact CD1-CD1 4.17Å; I248-I263 HydrophobicContact CD1-CG1 4.48Å; I248-I263 HydrophobicContact CD1-CG2 3.35Å; I248-I263 HydrophobicContact CG2-CD1 4.21Å; I248-I295 PolarHBondContact N-O 3.11Å; I248-I295 PolarHBondContact O-N 3.29Å; I248-V307 HydrophobicContact CD1-CG1 3.68Å; I248-V307 HydrophobicContact CG1-CG1 4.41Å; I248-V309 HydrophobicContact CG2-CG2 3.79Å |
| 249 | R | 89.1 | Confident | 81.2 | Confident | 118 Ų | 118 | 61.8 Ų | 61.8 | 45% | 0.445 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 154.7 | -178.4 | -59.9 | -176.1 | -121.9 | 162 | 2.8 | 114.4 | V237 S238 K293 D294 | V237-R249 CarbonylContact C-O 3.59Å; V237-R249 VanDerWaalsContact CA-O 3.23Å; V237-R249 WeakPolarHBondContact CA-O 3.41Å; S238-R249 PolarHBondContact N-O 3.31Å; S238-R249 PolarHBondContact O-N 3.42Å; R249-K293 VanDerWaalsContact CA-O 3.29Å; R249-K293 WeakPolarHBondContact CA-O 3.34Å; R249-K293 WeakPolarHBondContact CB-O 3.46Å; R249-D294 HydrophobicContact CG-CB 3.93Å; R249-D294 WeakPolarHBondContact CG-OD1 3.36Å; R249-D294 IonicContact NE-OD1 3.52Å; R249-D294 IonicContact NE-OD2 3.27Å |
| 250 | W | 88.4 | Confident | 81 | Confident | 5 Ų | 5 | 62.2 Ų | 62.2 | 2% | 0.019 | 33% | 0.329 | C | S | . | . | trans | -155 | 169.9 | 175.4 | 62.1 | 85.3 | 0 | 0 | 0 | 114.9 | V237 I248 V261 I263 V288 V290 A292 I295 V309 | V237-W250 HydrophobicContact CG2-CB 4.06Å; I248-W250 HydrophobicContact CG2-CE3 4.38Å; I248-W250 HydrophobicContact CG2-CZ3 4.2Å; W250-V261 HydrophobicContact CD2-CG1 4.24Å; W250-V261 HydrophobicContact CD2-CG2 4.49Å; W250-V261 HydrophobicContact CE3-CG1 4.23Å; W250-V261 HydrophobicContact CH2-CB 4.19Å; W250-V261 HydrophobicContact CH2-CG1 3.96Å; W250-V261 HydrophobicContact CZ2-CB 3.81Å; W250-V261 HydrophobicContact CZ2-CG1 3.95Å; W250-V261 HydrophobicContact CZ2-CG2 3.87Å; W250-V261 HydrophobicContact CZ3-CG1 4.12Å; W250-I263 HydrophobicContact CH2-CD1 4.3Å; W250-I263 HydrophobicContact CZ3-CD1 4.01Å; W250-V288 HydrophobicContact CH2-CG2 3.5Å; W250-V288 HydrophobicContact CZ2-CG2 3.77Å; W250-V290 PolarHBondContact NE1-O 3.37Å; W250-A292 WeakPolarHBondContact CH2-O 3.4Å; W250-A292 WeakPolarHBondContact CZ2-O 3.42Å; W250-I295 HydrophobicContact CH2-CD1 3.68Å; W250-I295 HydrophobicContact CH2-CG1 4.3Å; W250-I295 HydrophobicContact CZ3-CD1 4.28Å; W250-V309 HydrophobicContact CE3-CG1 4.42Å | ||
| 251 | N | 83.9 | Confident | 81.1 | Confident | 80 Ų | 80 | 57.9 Ų | 57.9 | 43% | 0.428 | 31% | 0.307 | S | S | . | . | trans | -105.2 | 168.5 | 175.4 | -75.8 | -1.3 | 0 | 0 | 0 | 113.8 | P235 Y236 | P235-N251 HydrophobicContact CB-CB 4.46Å; P235-N251 HydrophobicContact CG-CB 4.12Å; P235-N251 PolarHBondContact O-N 3.3Å; Y236-N251 HydrophobicContact CD2-CB 3.94Å; Y236-N251 WeakPolarHBondContact CD2-ND2 3.23Å | ||
| 252 | D | 78.6 | Confident | 81.5 | Confident | 93 Ų | 93 | 57.9 Ų | 57.9 | 50% | 0.497 | 30% | 0.3 | S | S | . | . | trans | -66.4 | 134.4 | -176.3 | -60.3 | -44.5 | 0 | 0 | 0 | 112.8 | P235 K293 | P235-D252 VanDerWaalsContact CG-O 3.29Å; P235-D252 WeakPolarHBondContact CG-O 3.22Å; D252-K293 VanDerWaalsContact CG-NZ 3.34Å; D252-K293 WeakPolarHBondContact OD1-CE 3.5Å; D252-K293 IonicContact OD1-NZ 3.1Å; D252-K293 PolarHBondContact OD1-NZ 2.77Å; D252-K293 VanDerWaalsContact OD1-NZ 3.14Å; D252-K293 IonicContact OD2-NZ 2.85Å; D252-K293 PolarHBondContact OD2-NZ 2.85Å | ||
| 253 | P | 76 | Confident | 81.8 | Confident | 29 Ų | 29 | 53.9 Ų | 53.9 | 19% | 0.188 | 28% | 0.279 | C | S | . | . | trans | -73.8 | 148.4 | -177.5 | 27 | -32.8 | 0 | 0 | 0 | 113.9 | L234 I258 V290 | L234-P253 HydrophobicContact CD2-CB 4.05Å; L234-P253 HydrophobicContact CD2-CG 4.42Å; P253-I258 HydrophobicContact CB-CB 4.26Å; P253-I258 HydrophobicContact CB-CD1 3.73Å; P253-I258 HydrophobicContact CB-CG2 4.48Å; P253-I258 HydrophobicContact CG-CB 4.08Å; P253-I258 HydrophobicContact CG-CD1 4.48Å; P253-I258 HydrophobicContact CG-CG2 4.23Å; P253-V290 HydrophobicContact CG-CG2 3.95Å | ||
| 254 | Q | 68.4 | Low | 81.9 | Confident | 195 Ų | 195 | 51 Ų | 51 | 91% | 0.911 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -73.1 | -27.5 | 176 | -69.8 | -160.7 | -6.6 | 0 | 0 | 114.2 | ||
| 255 | N | 70.6 | Confident | 82 | Confident | 37 Ų | 37 | 49.1 Ų | 49.1 | 20% | 0.198 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -94.5 | 116.1 | 178.9 | -173.9 | -25 | 0 | 0 | 0 | 109.9 | C133 S257 I258 | C133-N255 PolarHBondContact SG-ND2 2.91Å; C133-N255 VanDerWaalsContact SG-ND2 3.45Å; N255-S257 PolarHBondContact O-N 2.92Å; N255-S257 VanDerWaalsContact O-N 3.14Å; N255-S257 WeakPolarHBondContact OD1-CB 2.99Å; N255-S257 PolarHBondContact OD1-N 3.09Å; N255-S257 PolarHBondContact OD1-OG 3Å; N255-I258 HydrophobicContact CB-CD1 4.12Å; N255-I258 PolarHBondContact O-N 3.33Å |
| 256 | P | 72 | Confident | 82.1 | Confident | 122 Ų | 122 | 50.4 Ų | 50.4 | 79% | 0.792 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -13.3 | -176.6 | 27.9 | -35.2 | 0 | 0 | 0 | 113.9 | I258 | P256-I258 PolarHBondContact O-N 2.76Š|
| 257 | S | 72.3 | Confident | 81.7 | Confident | 30 Ų | 30 | 50.7 Ų | 50.7 | 21% | 0.21 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -15.3 | 176.6 | -63 | 0 | 0 | 0 | 0 | 113.5 | E134 N255 Q259 T313 S314 | E134-S257 PolarHBondContact OE1-OG 2.98Å; N255-S257 PolarHBondContact O-N 2.92Å; N255-S257 VanDerWaalsContact O-N 3.14Å; N255-S257 WeakPolarHBondContact OD1-CB 2.99Å; N255-S257 PolarHBondContact OD1-N 3.09Å; N255-S257 PolarHBondContact OD1-OG 3Å; S257-Q259 PolarHBondContact O-N 2.9Å; S257-T313 WeakPolarHBondContact O-CA 3.45Å; S257-T313 WeakPolarHBondContact O-CB 3.25Å; S257-S314 PolarHBondContact O-N 3.13Å |
| 258 | I | 77.3 | Confident | 81.5 | Confident | 10 Ų | 10 | 51 Ų | 51 | 5% | 0.051 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 112 | -179.6 | -60.4 | 162 | 0 | 0 | 0 | 110.1 | L234 P253 N255 P256 T313 T319 | L234-I258 HydrophobicContact CD2-CG2 4.44Å; P253-I258 HydrophobicContact CB-CB 4.26Å; P253-I258 HydrophobicContact CB-CD1 3.73Å; P253-I258 HydrophobicContact CB-CG2 4.48Å; P253-I258 HydrophobicContact CG-CB 4.08Å; P253-I258 HydrophobicContact CG-CD1 4.48Å; P253-I258 HydrophobicContact CG-CG2 4.23Å; N255-I258 HydrophobicContact CB-CD1 4.12Å; N255-I258 PolarHBondContact O-N 3.33Å; P256-I258 PolarHBondContact O-N 2.76Å; I258-T313 HydrophobicContact CG1-CG2 4.12Å; I258-T319 HydrophobicContact CD1-CG2 3.46Å; I258-T319 VanDerWaalsContact CD1-CG2 3.46Å; I258-T319 HydrophobicContact CG1-CG2 4.01Å |
| 259 | Q | 78.8 | Confident | 80.8 | Confident | 117 Ų | 117 | 51 Ų | 51 | 55% | 0.547 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | -27.1 | -171.6 | -67.2 | -177.5 | -11.5 | 0 | 0 | 114.2 | S257 V290 L312 | S257-Q259 PolarHBondContact O-N 2.9Å; Q259-V290 PolarHBondContact O-N 2.02Å; Q259-L312 PolarHBondContact N-O 3.49Å |
| 260 | S | 84.5 | Confident | 80.3 | Confident | 29 Ų | 29 | 45.5 Ų | 45.5 | 20% | 0.203 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 154.3 | -175.2 | 61.6 | 0 | 0 | 0 | 0 | 111.8 | V288 G311 L312 | S260-V288 WeakPolarHBondContact CA-O 3.27Å; S260-G311 CarbonylContact O-C 3.53Å; S260-G311 VanDerWaalsContact O-CA 3.3Å; S260-G311 WeakPolarHBondContact O-CA 3.42Å; S260-L312 PolarHBondContact N-O 2.86Å; S260-L312 PolarHBondContact O-N 3.46Å |
| 261 | V | 86 | Confident | 79.7 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 127.8 | 176.1 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | L234 W250 T287 V288 V290 V309 Y310 | L234-V261 HydrophobicContact CD1-CG1 3.93Å; L234-V261 HydrophobicContact CD1-CG2 3.87Å; W250-V261 HydrophobicContact CD2-CG1 4.24Å; W250-V261 HydrophobicContact CD2-CG2 4.49Å; W250-V261 HydrophobicContact CE3-CG1 4.23Å; W250-V261 HydrophobicContact CH2-CB 4.19Å; W250-V261 HydrophobicContact CH2-CG1 3.96Å; W250-V261 HydrophobicContact CZ2-CB 3.81Å; W250-V261 HydrophobicContact CZ2-CG1 3.95Å; W250-V261 HydrophobicContact CZ2-CG2 3.87Å; W250-V261 HydrophobicContact CZ3-CG1 4.12Å; V261-T287 WeakPolarHBondContact O-CA 3.43Å; V261-V288 HydrophobicContact CB-CG2 4.2Å; V261-V288 PolarHBondContact N-O 3.19Å; V261-V288 PolarHBondContact O-N 2.94Å; V261-V290 HydrophobicContact CG2-CB 4.19Å; V261-V290 HydrophobicContact CG2-CG2 3.76Å; V261-V309 HydrophobicContact CG1-CG1 3.67Å; V261-Y310 WeakPolarHBondContact CA-O 3.41Å |
| 262 | F | 87.7 | Confident | 79.1 | Confident | 63 Ų | 63 | 45.5 Ų | 45.5 | 28% | 0.276 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 129 | 177.5 | -85 | -113 | 0 | 0 | 0 | 109.4 | T287 V309 Y310 L312 | F262-T287 VanDerWaalsContact CD1-OG1 3.25Å; F262-T287 WeakPolarHBondContact CD1-OG1 3.17Å; F262-T287 HydrophobicContact CD2-CG2 3.65Å; F262-T287 HydrophobicContact CE1-CG2 4.17Å; F262-T287 WeakPolarHBondContact CE1-OG1 3.38Å; F262-T287 HydrophobicContact CE2-CG2 3.22Å; F262-T287 HydrophobicContact CG-CG2 4.3Å; F262-T287 HydrophobicContact CZ-CG2 3.53Å; F262-T287 WeakPolarHBondContact CZ-OG1 3.44Å; F262-V309 WeakPolarHBondContact O-CA 3.24Å; F262-Y310 HydrophobicContact CB-CD2 4.42Å; F262-Y310 HydrophobicContact CB-CE1 4.09Å; F262-Y310 HydrophobicContact CB-CE2 3.97Å; F262-Y310 PolarHBondContact N-O 3.37Å; F262-Y310 PolarHBondContact O-N 3.19Å; F262-Y310 VanDerWaalsContact O-N 3.08Å; F262-L312 HydrophobicContact CB-CD1 4.24Å; F262-L312 HydrophobicContact CD1-CD1 4.22Å; F262-L312 HydrophobicContact CD2-CB 4.28Å; F262-L312 HydrophobicContact CD2-CD1 3.13Å; F262-L312 HydrophobicContact CD2-CG 4.27Å; F262-L312 HydrophobicContact CE1-CD1 4.36Å; F262-L312 HydrophobicContact CE2-CB 4.35Å; F262-L312 HydrophobicContact CE2-CD1 3.31Å; F262-L312 HydrophobicContact CE2-CG 4.42Å; F262-L312 HydrophobicContact CG-CD1 3.62Å; F262-L312 HydrophobicContact CZ-CD1 3.94Å |
| 263 | I | 87.5 | Confident | 78.7 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126.9 | 175.7 | -61.8 | 168.3 | 0 | 0 | 0 | 107.4 | I248 W250 T285 K286 I295 V307 T308 V309 | I248-I263 HydrophobicContact CB-CD1 4.47Å; I248-I263 HydrophobicContact CD1-CD1 4.17Å; I248-I263 HydrophobicContact CD1-CG1 4.48Å; I248-I263 HydrophobicContact CD1-CG2 3.35Å; I248-I263 HydrophobicContact CG2-CD1 4.21Å; W250-I263 HydrophobicContact CH2-CD1 4.3Å; W250-I263 HydrophobicContact CZ3-CD1 4.01Å; I263-T285 CarbonylContact O-C 3.57Å; I263-T285 WeakPolarHBondContact O-CA 3.36Å; I263-K286 HydrophobicContact CB-CB 4.49Å; I263-K286 PolarHBondContact N-O 3.16Å; I263-K286 PolarHBondContact O-N 2.99Å; I263-I295 HydrophobicContact CD1-CB 4.36Å; I263-I295 HydrophobicContact CD1-CD1 3.77Å; I263-I295 HydrophobicContact CD1-CG2 4.37Å; I263-V307 HydrophobicContact CG2-CG1 4.36Å; I263-T308 WeakPolarHBondContact CA-O 3.39Å; I263-V309 HydrophobicContact CG1-CG1 4.3Å; I263-V309 HydrophobicContact CG1-CG2 4.36Å |
| 264 | H | 86.1 | Confident | 78.1 | Confident | 48 Ų | 48 | 47.8 Ų | 47.8 | 22% | 0.222 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 108.4 | -179.7 | -167.6 | -144.5 | 0 | 0 | 0 | 109.8 | T266 N283 Y284 T285 V307 T308 | H264-T266 WeakPolarHBondContact CE1-CG2 3.3Å; H264-T266 WeakPolarHBondContact ND1-CG2 3.2Å; H264-N283 WeakPolarHBondContact NE2-CB 3.47Å; H264-Y284 WeakPolarHBondContact CA-O 3.42Å; H264-T285 WeakPolarHBondContact CD2-CG2 3.3Å; H264-V307 CarbonylContact O-C 3.58Å; H264-V307 WeakPolarHBondContact O-CA 3.29Å; H264-T308 PolarHBondContact N-O 3.05Å; H264-T308 PolarHBondContact O-N 2.99Å |
| 265 | A | 85.1 | Confident | 77.7 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 95.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | Y284 L297 L299 Y305 I306 V307 | A265-Y284 PolarHBondContact N-O 2.65Å; A265-Y284 PolarHBondContact O-N 3.18Å; A265-L297 HydrophobicContact CB-CD2 3.84Å; A265-L299 HydrophobicContact CB-CD2 4.12Å; A265-Y305 HydrophobicContact CB-CD1 4.12Å; A265-Y305 HydrophobicContact CB-CG 4.48Å; A265-I306 CarbonylContact C-O 3.53Å; A265-I306 WeakPolarHBondContact CA-O 3.44Å; A265-V307 HydrophobicContact CB-CG2 4.09Å |
| 266 | T | 85 | Confident | 77.2 | Confident | 30 Ų | 30 | 42.4 Ų | 42.4 | 18% | 0.184 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 123.7 | 173.2 | 35.9 | 0 | 0 | 0 | 0 | 110.5 | H264 I268 N283 Y305 I306 | H264-T266 WeakPolarHBondContact CE1-CG2 3.3Å; H264-T266 WeakPolarHBondContact ND1-CG2 3.2Å; T266-I268 PolarHBondContact O-N 2.93Å; T266-N283 WeakPolarHBondContact CA-OD1 3.34Å; T266-Y305 CarbonylContact O-C 3.48Å; T266-Y305 WeakPolarHBondContact O-CA 3.39Å; T266-I306 PolarHBondContact N-O 3.44Å; T266-I306 PolarHBondContact O-N 3.48Å; T266-I306 WeakPolarHBondContact OG1-CB 3.34Å; T266-I306 PolarHBondContact OG1-O 3.19Å |
| 267 | L | 80.4 | Confident | 76.6 | Confident | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 122.5 | 168.2 | -173 | 70.9 | 0 | 0 | 0 | 108.5 | G269 I270 L276 D280 R303 R304 Y305 | L267-G269 WeakPolarHBondContact CD1-O 3.35Å; L267-I270 HydrophobicContact CD2-CG1 4.46Å; L267-L276 HydrophobicContact CB-CD1 4.42Å; L267-L276 HydrophobicContact CD2-CD1 4.35Å; L267-L276 HydrophobicContact CD2-CD2 3.57Å; L267-L276 HydrophobicContact CG-CD1 4.08Å; L267-L276 HydrophobicContact CG-CD2 3.98Å; L267-L276 WeakPolarHBondContact O-CD1 3.33Å; L267-D280 HydrophobicContact CD2-CB 4.48Å; L267-D280 WeakPolarHBondContact CD2-O 3.26Å; L267-R303 HydrophobicContact CD1-CB 3.46Å; L267-R303 VanDerWaalsContact CD1-CB 3.46Å; L267-R303 HydrophobicContact CD1-CG 3.66Å; L267-R304 WeakPolarHBondContact CD1-O 3.15Å; L267-Y305 HydrophobicContact CB-CD1 4.09Å; L267-Y305 HydrophobicContact CB-CE1 3.82Å; L267-Y305 HydrophobicContact CD1-CD1 4.06Å; L267-Y305 HydrophobicContact CD1-CE1 3.6Å; L267-Y305 HydrophobicContact CD1-CE2 4.18Å; L267-Y305 HydrophobicContact CG-CE1 4.32Å |
| 268 | I | 82.6 | Confident | 76.1 | Confident | 56 Ų | 56 | 43 Ų | 43 | 29% | 0.287 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | -9 | 178.2 | 56.5 | 153.1 | 0 | 0 | 0 | 113.3 | T266 R304 I306 T325 | T266-I268 PolarHBondContact O-N 2.93Å; I268-R304 HydrophobicContact CD1-CB 4.01Å; I268-R304 HydrophobicContact CG1-CB 3.69Å; I268-R304 WeakPolarHBondContact CG1-O 3.37Å; I268-R304 PolarHBondContact N-O 3.26Å; I268-I306 HydrophobicContact CB-CG1 4.48Å; I268-I306 HydrophobicContact CD1-CD1 4.28Å; I268-I306 HydrophobicContact CD1-CG1 3.84Å; I268-I306 HydrophobicContact CG1-CG1 4.19Å; I268-I306 HydrophobicContact CG2-CB 4.19Å; I268-I306 HydrophobicContact CG2-CD1 3.6Å; I268-I306 HydrophobicContact CG2-CG1 3.61Å; I268-T325 HydrophobicContact CD1-CG2 3.77Å |
| 269 | G | 76.6 | Confident | 75.1 | Confident | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179 | 160.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L267 R304 | L267-G269 WeakPolarHBondContact CD1-O 3.35Å; G269-R304 PolarHBondContact N-O 2.85Å; G269-R304 PolarHBondContact O-N 3.38Å |
| 270 | I | 79.4 | Confident | 74 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 94.5 | 171.7 | -55.2 | -179.3 | 0 | 0 | 0 | 106 | L267 D272 C273 L276 D280 W302 R303 C359 | L267-I270 HydrophobicContact CD2-CG1 4.46Å; I270-D272 PolarHBondContact O-N 3.18Å; I270-C273 HydrophobicContact CB-CB 4.38Å; I270-C273 PolarHBondContact N-O 3.38Å; I270-C273 VanDerWaalsContact N-O 3.15Å; I270-C273 WeakPolarHBondContact O-CB 3.46Å; I270-C273 PolarHBondContact O-N 2.68Å; I270-L276 HydrophobicContact CD1-CD2 4.23Å; I270-L276 HydrophobicContact CG1-CD2 3.73Å; I270-D280 HydrophobicContact CD1-CB 4.35Å; I270-W302 CarbonylContact C-O 3.59Å; I270-W302 WeakPolarHBondContact CA-O 3.36Å; I270-W302 HydrophobicContact CG2-CD2 4.44Å; I270-W302 HydrophobicContact CG2-CE3 3.56Å; I270-W302 HydrophobicContact CG2-CZ3 3.75Å; I270-R303 VanDerWaalsContact CG2-NH1 3.34Å; I270-C359 HydrophobicContact CB-CB 4.41Å; I270-C359 HydrophobicContact CD1-CB 4.35Å; I270-C359 WeakPolarHBondContact CG2-O 3.08Å |
| 271 | G | 74.3 | Confident | 72.8 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | -109.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | W302 R304 | G271-W302 VanDerWaalsContact CA-CE2 3.4Å; G271-W302 PolarHBondContact N-O 3.3Å; G271-R304 WeakPolarHBondContact O-CD 3.26Å |
| 272 | D | 71.5 | Confident | 71.5 | Confident | 80 Ų | 80 | 52.2 Ų | 52.2 | 43% | 0.428 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -7 | 176.7 | 63.6 | -12.7 | 0 | 0 | 0 | 113.8 | I270 F274 W302 | I270-D272 PolarHBondContact O-N 3.18Å; D272-F274 WeakPolarHBondContact O-CD2 3.41Å; D272-F274 WeakPolarHBondContact O-CE2 3.22Å; D272-F274 PolarHBondContact O-N 2.86Å; D272-W302 WeakPolarHBondContact OD1-CH2 3.15Å; D272-W302 WeakPolarHBondContact OD1-CZ2 3.27Å |
| 273 | C | 70.6 | Confident | 70.5 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 9% | 0.088 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -82 | 108.7 | 173 | -67.3 | 0 | 0 | 0 | 0 | 111.2 | I270 C359 | I270-C273 HydrophobicContact CB-CB 4.38Å; I270-C273 PolarHBondContact N-O 3.38Å; I270-C273 VanDerWaalsContact N-O 3.15Å; I270-C273 WeakPolarHBondContact O-CB 3.46Å; I270-C273 PolarHBondContact O-N 2.68Å; C273-C359 HydrophobicContact CB-CB 3.49Å; C273-C359 VanDerWaalsContact CB-CB 3.49Å; C273-C359 WeakPolarHBondContact CB-SG 3.19Å; C273-C359 WeakPolarHBondContact SG-CB 3.29Å; C273-C359 CovalentContact SG-SG 2.03Å; C273-C359 PolarHBondContact SG-SG 3.04Å |
| 274 | F | 64.5 | Low | 69.9 | Low | 157 Ų | 157 | 54.6 Ų | 54.6 | 69% | 0.689 | 30% | 0.299 | S | S | * | . | trans | -82.4 | -17 | 177.8 | -59.4 | -75.8 | 0 | 0 | 0 | 113.8 | D272 L276 | D272-F274 WeakPolarHBondContact O-CD2 3.41Å; D272-F274 WeakPolarHBondContact O-CE2 3.22Å; D272-F274 PolarHBondContact O-N 2.86Å; F274-L276 PolarHBondContact O-N 2.59Å | ||
| 275 | S | 59.4 | Low | 69.6 | Low | 97 Ų | 97 | 57 Ų | 57 | 68% | 0.678 | 32% | 0.317 | S | S | * | . | trans | -91.8 | 96.3 | 179.8 | 61.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 276 | L | 59.5 | Low | 69.4 | Low | 22 Ų | 22 | 61.1 Ų | 61.1 | 12% | 0.115 | 34% | 0.335 | C | S | . | . | trans | -79.6 | 128.8 | 171.6 | -67.4 | 172.2 | 0 | 0 | 0 | 110.3 | L267 I270 F274 D280 Y281 | L267-L276 HydrophobicContact CB-CD1 4.42Å; L267-L276 HydrophobicContact CD2-CD1 4.35Å; L267-L276 HydrophobicContact CD2-CD2 3.57Å; L267-L276 HydrophobicContact CG-CD1 4.08Å; L267-L276 HydrophobicContact CG-CD2 3.98Å; L267-L276 WeakPolarHBondContact O-CD1 3.33Å; I270-L276 HydrophobicContact CD1-CD2 4.23Å; I270-L276 HydrophobicContact CG1-CD2 3.73Å; F274-L276 PolarHBondContact O-N 2.59Å; L276-D280 HydrophobicContact CD2-CB 4.15Å; L276-Y281 HydrophobicContact CB-CD2 4.24Å; L276-Y281 HydrophobicContact CB-CE1 4.22Å; L276-Y281 HydrophobicContact CB-CE2 3.65Å; L276-Y281 HydrophobicContact CD1-CD1 4.18Å; L276-Y281 HydrophobicContact CD1-CE1 3.73Å | ||
| 277 | S | 58.8 | Low | 69.3 | Low | 42 Ų | 42 | 63.2 Ų | 63.2 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | trans | -75.1 | 155.2 | 170 | 73.6 | 0 | 0 | 0 | 0 | 110.1 | S279 D280 Y281 | S277-S279 PolarHBondContact O-N 3.41Å; S277-S279 VanDerWaalsContact O-N 3.07Å; S277-S279 PolarHBondContact OG-OG 2.83Å; S277-D280 WeakPolarHBondContact CB-OD2 3.37Å; S277-D280 PolarHBondContact N-OD2 2.88Å; S277-D280 VanDerWaalsContact N-OD2 3.12Å; S277-D280 WeakPolarHBondContact O-CB 3.23Å; S277-D280 PolarHBondContact O-N 2.56Å; S277-D280 PolarHBondContact OG-OD2 3.06Å; S277-Y281 VanDerWaalsContact O-CD2 3.25Å; S277-Y281 WeakPolarHBondContact O-CD2 3.13Å | ||
| 278 | P | 62.9 | Low | 69.6 | Low | 122 Ų | 122 | 64 Ų | 64 | 79% | 0.792 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -30.8 | 180 | -26.6 | 34.5 | 0 | 0 | 0 | 113.9 | ||
| 279 | S | 55.6 | Low | 69.6 | Low | 96 Ų | 96 | 66.8 Ų | 66.8 | 67% | 0.671 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -20.9 | 175.5 | 45.3 | 0 | 0 | 0 | 0 | 114.4 | S277 | S277-S279 PolarHBondContact O-N 3.41Å; S277-S279 VanDerWaalsContact O-N 3.07Å; S277-S279 PolarHBondContact OG-OG 2.83Å |
| 280 | D | 57.1 | Low | 69.9 | Low | 34 Ų | 34 | 67.8 Ų | 67.8 | 18% | 0.182 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -15.3 | 179.2 | -62.8 | -45.2 | 0 | 0 | 0 | 112.4 | L267 I270 L276 S277 L282 | L267-D280 HydrophobicContact CD2-CB 4.48Å; L267-D280 WeakPolarHBondContact CD2-O 3.26Å; I270-D280 HydrophobicContact CD1-CB 4.35Å; L276-D280 HydrophobicContact CD2-CB 4.15Å; S277-D280 WeakPolarHBondContact CB-OD2 3.37Å; S277-D280 PolarHBondContact N-OD2 2.88Å; S277-D280 VanDerWaalsContact N-OD2 3.12Å; S277-D280 WeakPolarHBondContact O-CB 3.23Å; S277-D280 PolarHBondContact O-N 2.56Å; S277-D280 PolarHBondContact OG-OD2 3.06Å; D280-L282 PolarHBondContact O-N 3.02Å |
| 281 | Y | 59 | Low | 69.9 | Low | 124 Ų | 124 | 70.1 Ų | 70.1 | 49% | 0.486 | 40% | 0.398 | S | S | . | . | trans | -72.9 | 69.3 | 176.6 | -70.4 | -88.5 | 0 | 0 | 0 | 111.3 | L276 S277 N283 | L276-Y281 HydrophobicContact CB-CD2 4.24Å; L276-Y281 HydrophobicContact CB-CE1 4.22Å; L276-Y281 HydrophobicContact CB-CE2 3.65Å; L276-Y281 HydrophobicContact CD1-CD1 4.18Å; L276-Y281 HydrophobicContact CD1-CE1 3.73Å; S277-Y281 VanDerWaalsContact O-CD2 3.25Å; S277-Y281 WeakPolarHBondContact O-CD2 3.13Å; Y281-N283 PolarHBondContact O-N 3.36Å | ||
| 282 | L | 58 | Low | 70.2 | Confident | 97 Ų | 97 | 71.8 Ų | 71.8 | 51% | 0.508 | 41% | 0.411 | S | S | . | . | trans | -80.6 | 97 | 155.9 | -95.3 | 102.4 | 0 | 0 | 0 | 108.4 | D280 Y284 | D280-L282 PolarHBondContact O-N 3.02Å; L282-Y284 HydrophobicContact CB-CE2 4.33Å | ||
| 283 | N | 66.2 | Low | 70.5 | Confident | 66 Ų | 66 | 72.4 Ų | 72.4 | 35% | 0.353 | 41% | 0.41 | S | S | . | . | trans | -82.1 | 121.4 | 165.6 | -70.1 | -18.1 | 0 | 0 | 0 | 108.4 | H264 T266 Y281 T285 | H264-N283 WeakPolarHBondContact NE2-CB 3.47Å; T266-N283 WeakPolarHBondContact CA-OD1 3.34Å; Y281-N283 PolarHBondContact O-N 3.36Å; N283-T285 PolarHBondContact O-N 3.48Å | ||
| 284 | Y | 75.4 | Confident | 71 | Confident | 48 Ų | 48 | 76.4 Ų | 76.4 | 19% | 0.188 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 109.3 | 173.9 | -58.6 | -96.2 | 0 | 0 | 0 | 108.1 | H264 A265 L282 L299 D300 Y305 | H264-Y284 WeakPolarHBondContact CA-O 3.42Å; A265-Y284 PolarHBondContact N-O 2.65Å; A265-Y284 PolarHBondContact O-N 3.18Å; L282-Y284 HydrophobicContact CB-CE2 4.33Å; Y284-L299 HydrophobicContact CD2-CD2 3.58Å; Y284-L299 HydrophobicContact CE2-CD2 3.86Å; Y284-L299 HydrophobicContact CG-CD2 4.03Å; Y284-D300 VanDerWaalsContact OH-CG 3.3Å; Y284-D300 PolarHBondContact OH-OD1 3.31Å; Y284-D300 PolarHBondContact OH-OD2 2.91Å; Y284-Y305 AromaticContact CD2-CE1 3.85Å; Y284-Y305 HydrophobicContact CD2-CE1 3.85Å; Y284-Y305 AromaticContact CE2-CE1 3.71Å; Y284-Y305 HydrophobicContact CE2-CE1 3.71Å; Y284-Y305 AromaticContact CE2-CZ 3.87Å; Y284-Y305 WeakPolarHBondContact CE2-OH 3.41Å |
| 285 | T | 79 | Confident | 72.1 | Confident | 100 Ų | 100 | 69.5 Ų | 69.5 | 61% | 0.613 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 131.4 | 174.5 | 55.2 | 0 | 0 | 0 | 0 | 108.8 | I263 H264 N283 | I263-T285 CarbonylContact O-C 3.57Å; I263-T285 WeakPolarHBondContact O-CA 3.36Å; H264-T285 WeakPolarHBondContact CD2-CG2 3.3Å; N283-T285 PolarHBondContact O-N 3.48Å |
| 286 | K | 81.5 | Confident | 73.3 | Confident | 86 Ų | 86 | 69.9 Ų | 69.9 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 120.5 | 172.4 | -167.3 | 168.5 | 179.3 | 177 | 0 | 109.2 | I263 V288 I295 | I263-K286 HydrophobicContact CB-CB 4.49Å; I263-K286 PolarHBondContact N-O 3.16Å; I263-K286 PolarHBondContact O-N 2.99Å; K286-V288 HydrophobicContact CG-CG1 4.34Å; K286-I295 HydrophobicContact CD-CG2 3.94Å |
| 287 | T | 83.4 | Confident | 74.6 | Confident | 73 Ų | 73 | 69.8 Ų | 69.8 | 45% | 0.448 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 131.5 | 173.6 | -53.8 | 0 | 0 | 0 | 0 | 108.7 | V261 F262 | V261-T287 WeakPolarHBondContact O-CA 3.43Å; F262-T287 VanDerWaalsContact CD1-OG1 3.25Å; F262-T287 WeakPolarHBondContact CD1-OG1 3.17Å; F262-T287 HydrophobicContact CD2-CG2 3.65Å; F262-T287 HydrophobicContact CE1-CG2 4.17Å; F262-T287 WeakPolarHBondContact CE1-OG1 3.38Å; F262-T287 HydrophobicContact CE2-CG2 3.22Å; F262-T287 HydrophobicContact CG-CG2 4.3Å; F262-T287 HydrophobicContact CZ-CG2 3.53Å; F262-T287 WeakPolarHBondContact CZ-OG1 3.44Å |
| 288 | V | 86 | Confident | 75.7 | Confident | 23 Ų | 23 | 72.7 Ų | 72.7 | 14% | 0.139 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 158.2 | 173.9 | -69.2 | 0 | 0 | 0 | 0 | 111.6 | W250 S260 V261 K286 A292 I295 | W250-V288 HydrophobicContact CH2-CG2 3.5Å; W250-V288 HydrophobicContact CZ2-CG2 3.77Å; S260-V288 WeakPolarHBondContact CA-O 3.27Å; V261-V288 HydrophobicContact CB-CG2 4.2Å; V261-V288 PolarHBondContact N-O 3.19Å; V261-V288 PolarHBondContact O-N 2.94Å; K286-V288 HydrophobicContact CG-CG1 4.34Å; V288-A292 HydrophobicContact CB-CB 4.1Å; V288-A292 HydrophobicContact CG2-CB 4.37Å; V288-I295 HydrophobicContact CB-CD1 3.83Å; V288-I295 HydrophobicContact CG1-CD1 3.33Å; V288-I295 HydrophobicContact CG2-CD1 3.36Å |
| 289 | N | 83.7 | Confident | 76.8 | Confident | 115 Ų | 115 | 67.1 Ų | 67.1 | 62% | 0.615 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62 | 141.6 | 168.5 | -170.6 | -34.3 | 0 | 0 | 0 | 109 | G291 A292 | N289-G291 PolarHBondContact O-N 3.06Å; N289-G291 PolarHBondContact OD1-N 3.42Å; N289-A292 PolarHBondContact O-N 3.3Å |
| 290 | V | 81.8 | Confident | 78.2 | Confident | 23 Ų | 23 | 65.8 Ų | 65.8 | 14% | 0.139 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -24.8 | -179 | 82.1 | 0 | 0 | 0 | 0 | 113.2 | W250 P253 Q259 V261 A292 | W250-V290 PolarHBondContact NE1-O 3.37Å; P253-V290 HydrophobicContact CG-CG2 3.95Å; Q259-V290 PolarHBondContact O-N 2.02Å; V261-V290 HydrophobicContact CG2-CB 4.19Å; V261-V290 HydrophobicContact CG2-CG2 3.76Å; V290-A292 PolarHBondContact O-N 2.76Å |
| 291 | G | 79.2 | Confident | 79.5 | Confident | 50 Ų | 50 | 68 Ų | 68 | 52% | 0.515 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -10.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | N289 K293 | N289-G291 PolarHBondContact O-N 3.06Å; N289-G291 PolarHBondContact OD1-N 3.42Å; G291-K293 PolarHBondContact O-N 3.04Å; G291-K293 VanDerWaalsContact O-N 3.14Å |
| 292 | A | 80.4 | Confident | 80.7 | Confident | 39 Ų | 39 | 62.5 Ų | 62.5 | 32% | 0.322 | 33% | 0.334 | S | S | . | . | trans | -86.5 | 76.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | W250 V288 N289 V290 D294 | W250-A292 WeakPolarHBondContact CH2-O 3.4Å; W250-A292 WeakPolarHBondContact CZ2-O 3.42Å; V288-A292 HydrophobicContact CB-CB 4.1Å; V288-A292 HydrophobicContact CG2-CB 4.37Å; N289-A292 PolarHBondContact O-N 3.3Å; V290-A292 PolarHBondContact O-N 2.76Å; A292-D294 VanDerWaalsContact C-N 3.33Å; A292-D294 PolarHBondContact O-N 2.95Å | ||
| 293 | K | 78.2 | Confident | 81.9 | Confident | 94 Ų | 94 | 59.4 Ų | 59.4 | 41% | 0.409 | 32% | 0.316 | S | S | . | . | trans | -69.1 | -9.3 | -163.9 | -57.8 | -174.4 | 177.6 | -169.4 | 0 | 117.3 | R249 D252 G291 | R249-K293 VanDerWaalsContact CA-O 3.29Å; R249-K293 WeakPolarHBondContact CA-O 3.34Å; R249-K293 WeakPolarHBondContact CB-O 3.46Å; D252-K293 VanDerWaalsContact CG-NZ 3.34Å; D252-K293 WeakPolarHBondContact OD1-CE 3.5Å; D252-K293 IonicContact OD1-NZ 3.1Å; D252-K293 PolarHBondContact OD1-NZ 2.77Å; D252-K293 VanDerWaalsContact OD1-NZ 3.14Å; D252-K293 IonicContact OD2-NZ 2.85Å; D252-K293 PolarHBondContact OD2-NZ 2.85Å; G291-K293 PolarHBondContact O-N 3.04Å; G291-K293 VanDerWaalsContact O-N 3.14Å | ||
| 294 | D | 82.3 | Confident | 82.8 | Confident | 96 Ų | 96 | 59.9 Ų | 59.9 | 51% | 0.513 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 127.6 | -179.7 | -164.5 | -4.4 | 0 | 0 | 0 | 112.1 | R249 A292 | R249-D294 HydrophobicContact CG-CB 3.93Å; R249-D294 WeakPolarHBondContact CG-OD1 3.36Å; R249-D294 IonicContact NE-OD1 3.52Å; R249-D294 IonicContact NE-OD2 3.27Å; A292-D294 VanDerWaalsContact C-N 3.33Å; A292-D294 PolarHBondContact O-N 2.95Å |
| 295 | I | 86.6 | Confident | 83.3 | Confident | 13 Ų | 13 | 57.6 Ų | 57.6 | 7% | 0.067 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 130.8 | -171.7 | -58.3 | -176.6 | 0 | 0 | 0 | 112 | N247 I248 W250 I263 K286 V288 | N247-I295 CarbonylContact C-O 3.54Å; N247-I295 WeakPolarHBondContact CA-O 3.23Å; I248-I295 PolarHBondContact N-O 3.11Å; I248-I295 PolarHBondContact O-N 3.29Å; W250-I295 HydrophobicContact CH2-CD1 3.68Å; W250-I295 HydrophobicContact CH2-CG1 4.3Å; W250-I295 HydrophobicContact CZ3-CD1 4.28Å; I263-I295 HydrophobicContact CD1-CB 4.36Å; I263-I295 HydrophobicContact CD1-CD1 3.77Å; I263-I295 HydrophobicContact CD1-CG2 4.37Å; K286-I295 HydrophobicContact CD-CG2 3.94Å; V288-I295 HydrophobicContact CB-CD1 3.83Å; V288-I295 HydrophobicContact CG1-CD1 3.33Å; V288-I295 HydrophobicContact CG2-CD1 3.36Å |
| 296 | Q | 85.7 | Confident | 83.6 | Confident | 105 Ų | 105 | 55.2 Ų | 55.2 | 49% | 0.491 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 141.2 | 167.1 | -170.9 | 167.2 | 8.3 | 0 | 0 | 111.7 | S245 V246 N247 | S245-Q296 PolarHBondContact OG-NE2 2.91Å; S245-Q296 VanDerWaalsContact OG-NE2 3.09Å; V246-Q296 CarbonylContact O-C 3.48Å; V246-Q296 WeakPolarHBondContact O-CA 3.5Å; N247-Q296 WeakPolarHBondContact OD1-CA 3.46Å; N247-Q296 WeakPolarHBondContact OD1-CB 3.17Å; N247-Q296 WeakPolarHBondContact OD1-CG 3.18Å |
| 297 | L | 85.5 | Confident | 83.9 | Confident | 20 Ų | 20 | 51.1 Ų | 51.1 | 11% | 0.105 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 125.1 | 179.4 | -176.9 | 70.4 | 0 | 0 | 0 | 110.6 | S245 V246 A265 L299 | S245-L297 CarbonylContact C-O 3.57Å; S245-L297 WeakPolarHBondContact CA-O 3.05Å; S245-L297 WeakPolarHBondContact CB-O 3.49Å; V246-L297 HydrophobicContact CG1-CB 3.8Å; V246-L297 HydrophobicContact CG1-CD2 4.2Å; V246-L297 HydrophobicContact CG1-CG 4.43Å; V246-L297 PolarHBondContact N-O 3.09Å; V246-L297 PolarHBondContact O-N 2.8Å; A265-L297 HydrophobicContact CB-CD2 3.84Å; L297-L299 HydrophobicContact CD2-CD2 4.18Å; L297-L299 HydrophobicContact CG-CD2 4.3Å |
| 298 | Q | 82.7 | Confident | 84.1 | Confident | 103 Ų | 103 | 48.8 Ų | 48.8 | 48% | 0.481 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 138.9 | 178.4 | -166.6 | 68.1 | 25 | 0 | 0 | 111 | N244 | N244-Q298 PolarHBondContact ND2-NE2 2.9Å; N244-Q298 PolarHBondContact O-NE2 3.31Å; N244-Q298 VanDerWaalsContact O-NE2 3.16Å; N244-Q298 PolarHBondContact OD1-NE2 2.69Å |
| 299 | L | 86.2 | Confident | 84.2 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | trans | -137.3 | 170.6 | -172.9 | -60.6 | 175.8 | 0 | 0 | 0 | 111.2 | N244 V246 A265 Y284 L297 Y305 I326 T328 | N244-L299 WeakPolarHBondContact CB-O 3.27Å; N244-L299 CarbonylContact O-C 3.55Å; N244-L299 WeakPolarHBondContact O-CA 3.44Å; N244-L299 PolarHBondContact O-N 3.49Å; V246-L299 HydrophobicContact CB-CD1 4.09Å; V246-L299 HydrophobicContact CG1-CD1 3.77Å; V246-L299 HydrophobicContact CG1-CG 4.4Å; A265-L299 HydrophobicContact CB-CD2 4.12Å; Y284-L299 HydrophobicContact CD2-CD2 3.58Å; Y284-L299 HydrophobicContact CE2-CD2 3.86Å; Y284-L299 HydrophobicContact CG-CD2 4.03Å; L297-L299 HydrophobicContact CD2-CD2 4.18Å; L297-L299 HydrophobicContact CG-CD2 4.3Å; L299-Y305 HydrophobicContact CB-CD2 4.4Å; L299-Y305 HydrophobicContact CB-CE2 3.71Å; L299-Y305 HydrophobicContact CD1-CD2 3.74Å; L299-Y305 HydrophobicContact CD1-CE2 3.93Å; L299-Y305 HydrophobicContact CD1-CG 4.3Å; L299-Y305 HydrophobicContact CD2-CD1 4.32Å; L299-Y305 HydrophobicContact CD2-CD2 4.28Å; L299-Y305 HydrophobicContact CD2-CE1 4.09Å; L299-Y305 HydrophobicContact CD2-CE2 4Å; L299-Y305 HydrophobicContact CD2-CG 4.42Å; L299-Y305 HydrophobicContact CG-CD2 4.37Å; L299-Y305 HydrophobicContact CG-CE2 4.09Å; L299-I326 HydrophobicContact CD1-CD1 3.75Å; L299-T328 HydrophobicContact CB-CG2 4.22Å; L299-T328 HydrophobicContact CD1-CG2 4.45Å | ||
| 300 | D | 84 | Confident | 84.4 | Confident | 67 Ų | 67 | 45 Ų | 45 | 36% | 0.358 | 23% | 0.229 | S | C | . | . | trans | -89.8 | 156.6 | 179.7 | -62.5 | -29.1 | 0 | 0 | 0 | 112.7 | Y284 R303 Y305 T328 | Y284-D300 VanDerWaalsContact OH-CG 3.3Å; Y284-D300 PolarHBondContact OH-OD1 3.31Å; Y284-D300 PolarHBondContact OH-OD2 2.91Å; D300-R303 HydrophobicContact CB-CG 3.6Å; D300-Y305 PolarHBondContact N-OH 2.99Å; D300-T328 WeakPolarHBondContact O-CB 3.41Å; D300-T328 WeakPolarHBondContact O-CG2 3.34Å; D300-T328 PolarHBondContact O-OG1 3.26Å | ||
| 301 | Y | 83.9 | Confident | 84.5 | Confident | 82 Ų | 82 | 43.9 Ų | 43.9 | 32% | 0.322 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | 150.7 | 177.2 | -73.7 | -72.3 | 0 | 0 | 0 | 113.4 | N244 R303 S329 | N244-Y301 HydrophobicContact CB-CD1 4.18Å; N244-Y301 HydrophobicContact CB-CE1 3.79Å; N244-Y301 HydrophobicContact CB-CE2 4.15Å; N244-Y301 PolarHBondContact ND2-OH 3.33Å; Y301-R303 WeakPolarHBondContact O-CG 3.45Å; Y301-R303 PolarHBondContact O-N 3.4Å; Y301-R303 PolarHBondContact O-NH1 3.01Å; Y301-S329 WeakPolarHBondContact CD1-O 3.39Å; Y301-S329 WeakPolarHBondContact CD1-OG 3.23Å; Y301-S329 VanDerWaalsContact CE1-OG 3.26Å; Y301-S329 WeakPolarHBondContact CE1-OG 3.41Å |
| 302 | W | 84.5 | Confident | 84.5 | Confident | 7 Ų | 7 | 42.8 Ų | 42.8 | 3% | 0.027 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49 | 41.3 | -179.5 | -165.1 | 48.1 | 0 | 0 | 0 | 113.5 | I270 G271 D272 T328 S329 F330 R362 G364 | I270-W302 CarbonylContact C-O 3.59Å; I270-W302 WeakPolarHBondContact CA-O 3.36Å; I270-W302 HydrophobicContact CG2-CD2 4.44Å; I270-W302 HydrophobicContact CG2-CE3 3.56Å; I270-W302 HydrophobicContact CG2-CZ3 3.75Å; G271-W302 VanDerWaalsContact CA-CE2 3.4Å; G271-W302 PolarHBondContact N-O 3.3Å; D272-W302 WeakPolarHBondContact OD1-CH2 3.15Å; D272-W302 WeakPolarHBondContact OD1-CZ2 3.27Å; W302-T328 PolarHBondContact N-OG1 3.1Å; W302-T328 VanDerWaalsContact N-OG1 3.08Å; W302-S329 WeakPolarHBondContact CA-O 3.48Å; W302-S329 PolarHBondContact N-O 3.18Å; W302-F330 AromaticContact CD1-CD1 3.25Å; W302-F330 AromaticContact CD1-CE1 3.41Å; W302-F330 VanDerWaalsContact CD1-CE1 3.41Å; W302-F330 HydrophobicContact CG-CD1 4.05Å; W302-F330 AromaticContact NE1-CD1 3.72Å; W302-F330 AromaticContact NE1-CE1 3.55Å; W302-R362 HydrophobicContact CH2-CB 4.28Å; W302-R362 HydrophobicContact CZ3-CB 3.83Å; W302-G364 VanDerWaalsContact CZ2-C 3.42Å |
| 303 | R | 84.8 | Confident | 84.2 | Confident | 32 Ų | 32 | 41.3 Ų | 41.3 | 12% | 0.121 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 140.7 | -179.5 | -70.1 | -39.7 | -176.6 | -102.5 | 7.5 | 110.3 | L267 I270 D300 Y301 Y305 M327 T328 | L267-R303 HydrophobicContact CD1-CB 3.46Å; L267-R303 VanDerWaalsContact CD1-CB 3.46Å; L267-R303 HydrophobicContact CD1-CG 3.66Å; I270-R303 VanDerWaalsContact CG2-NH1 3.34Å; D300-R303 HydrophobicContact CB-CG 3.6Å; Y301-R303 WeakPolarHBondContact O-CG 3.45Å; Y301-R303 PolarHBondContact O-N 3.4Å; Y301-R303 PolarHBondContact O-NH1 3.01Å; R303-Y305 HydrophobicContact CB-CD2 4.02Å; R303-Y305 HydrophobicContact CB-CE2 3.28Å; R303-Y305 HydrophobicContact CG-CE2 4.14Å; R303-M327 WeakPolarHBondContact O-CA 3.49Å; R303-T328 PolarHBondContact N-OG1 3.36Å; R303-T328 PolarHBondContact O-N 2.69Å; R303-T328 PolarHBondContact O-OG1 3.01Å |
| 304 | R | 85 | Confident | 83.8 | Confident | 76 Ų | 76 | 40.4 Ų | 40.4 | 29% | 0.287 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 124.6 | 170.6 | -67.1 | -176.5 | 75.2 | -178.1 | -1 | 108.5 | L267 I268 G269 G271 I326 M327 | L267-R304 WeakPolarHBondContact CD1-O 3.15Å; I268-R304 HydrophobicContact CD1-CB 4.01Å; I268-R304 HydrophobicContact CG1-CB 3.69Å; I268-R304 WeakPolarHBondContact CG1-O 3.37Å; I268-R304 PolarHBondContact N-O 3.26Å; G269-R304 PolarHBondContact N-O 2.85Å; G269-R304 PolarHBondContact O-N 3.38Å; G271-R304 WeakPolarHBondContact O-CD 3.26Å; R304-I326 VanDerWaalsContact CA-O 3.32Å; R304-I326 WeakPolarHBondContact CA-O 3.42Å; R304-M327 HydrophobicContact CG-CB 4.2Å; R304-M327 HydrophobicContact CG-CE 3.33Å; R304-M327 HydrophobicContact CG-CG 4Å; R304-M327 HydrophobicContact CG-SD 4.5Å |
| 305 | Y | 85.9 | Confident | 83 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 141.6 | 175.4 | -62.5 | -89.5 | 0 | 0 | 0 | 110.8 | A265 T266 L267 Y284 L299 D300 R303 T325 I326 T328 | A265-Y305 HydrophobicContact CB-CD1 4.12Å; A265-Y305 HydrophobicContact CB-CG 4.48Å; T266-Y305 CarbonylContact O-C 3.48Å; T266-Y305 WeakPolarHBondContact O-CA 3.39Å; L267-Y305 HydrophobicContact CB-CD1 4.09Å; L267-Y305 HydrophobicContact CB-CE1 3.82Å; L267-Y305 HydrophobicContact CD1-CD1 4.06Å; L267-Y305 HydrophobicContact CD1-CE1 3.6Å; L267-Y305 HydrophobicContact CD1-CE2 4.18Å; L267-Y305 HydrophobicContact CG-CE1 4.32Å; Y284-Y305 AromaticContact CD2-CE1 3.85Å; Y284-Y305 HydrophobicContact CD2-CE1 3.85Å; Y284-Y305 AromaticContact CE2-CE1 3.71Å; Y284-Y305 HydrophobicContact CE2-CE1 3.71Å; Y284-Y305 AromaticContact CE2-CZ 3.87Å; Y284-Y305 WeakPolarHBondContact CE2-OH 3.41Å; L299-Y305 HydrophobicContact CB-CD2 4.4Å; L299-Y305 HydrophobicContact CB-CE2 3.71Å; L299-Y305 HydrophobicContact CD1-CD2 3.74Å; L299-Y305 HydrophobicContact CD1-CE2 3.93Å; L299-Y305 HydrophobicContact CD1-CG 4.3Å; L299-Y305 HydrophobicContact CD2-CD1 4.32Å; L299-Y305 HydrophobicContact CD2-CD2 4.28Å; L299-Y305 HydrophobicContact CD2-CE1 4.09Å; L299-Y305 HydrophobicContact CD2-CE2 4Å; L299-Y305 HydrophobicContact CD2-CG 4.42Å; L299-Y305 HydrophobicContact CG-CD2 4.37Å; L299-Y305 HydrophobicContact CG-CE2 4.09Å; D300-Y305 PolarHBondContact N-OH 2.99Å; R303-Y305 HydrophobicContact CB-CD2 4.02Å; R303-Y305 HydrophobicContact CB-CE2 3.28Å; R303-Y305 HydrophobicContact CG-CE2 4.14Å; Y305-T325 CarbonylContact O-C 3.49Å; Y305-T325 WeakPolarHBondContact O-CA 3.22Å; Y305-I326 PolarHBondContact N-O 3.02Å; Y305-I326 PolarHBondContact O-N 2.9Å; Y305-T328 HydrophobicContact CE2-CG2 4.42Å |
| 306 | I | 85 | Confident | 82.1 | Confident | 51 Ų | 51 | 45.3 Ų | 45.3 | 26% | 0.262 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 118.9 | 154.8 | -63.8 | 176.7 | 0 | 0 | 0 | 106.3 | A265 T266 I268 T323 T325 | A265-I306 CarbonylContact C-O 3.53Å; A265-I306 WeakPolarHBondContact CA-O 3.44Å; T266-I306 PolarHBondContact N-O 3.44Å; T266-I306 PolarHBondContact O-N 3.48Å; T266-I306 WeakPolarHBondContact OG1-CB 3.34Å; T266-I306 PolarHBondContact OG1-O 3.19Å; I268-I306 HydrophobicContact CB-CG1 4.48Å; I268-I306 HydrophobicContact CD1-CD1 4.28Å; I268-I306 HydrophobicContact CD1-CG1 3.84Å; I268-I306 HydrophobicContact CG1-CG1 4.19Å; I268-I306 HydrophobicContact CG2-CB 4.19Å; I268-I306 HydrophobicContact CG2-CD1 3.6Å; I268-I306 HydrophobicContact CG2-CG1 3.61Å; I306-T323 HydrophobicContact CG2-CG2 4.44Å; I306-T325 HydrophobicContact CG1-CG2 4.33Å |
| 307 | V | 86.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 117.7 | 173.5 | -177.2 | 0 | 0 | 0 | 0 | 107.8 | V239 I248 I263 H264 A265 V309 T323 T324 I326 | V239-V307 HydrophobicContact CG1-CB 4.06Å; V239-V307 HydrophobicContact CG1-CG1 4.04Å; V239-V307 HydrophobicContact CG1-CG2 4.24Å; V239-V307 HydrophobicContact CG2-CG1 4.27Å; I248-V307 HydrophobicContact CD1-CG1 3.68Å; I248-V307 HydrophobicContact CG1-CG1 4.41Å; I263-V307 HydrophobicContact CG2-CG1 4.36Å; H264-V307 CarbonylContact O-C 3.58Å; H264-V307 WeakPolarHBondContact O-CA 3.29Å; A265-V307 HydrophobicContact CB-CG2 4.09Å; V307-V309 HydrophobicContact CG1-CG2 4.36Å; V307-T323 CarbonylContact O-C 3.5Å; V307-T323 WeakPolarHBondContact O-CA 3.28Å; V307-T324 PolarHBondContact N-O 3.5Å; V307-T324 PolarHBondContact O-N 3.29Å; V307-I326 HydrophobicContact CG2-CD1 3.92Å; V307-I326 HydrophobicContact CG2-CG1 4.11Å |
| 308 | T | 88.7 | Confident | 80.9 | Confident | 24 Ų | 24 | 42.3 Ų | 42.3 | 15% | 0.147 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 128.8 | -179.6 | -54.3 | 0 | 0 | 0 | 0 | 108.8 | I263 H264 Y310 P321 S322 T323 | I263-T308 WeakPolarHBondContact CA-O 3.39Å; H264-T308 PolarHBondContact N-O 3.05Å; H264-T308 PolarHBondContact O-N 2.99Å; T308-Y310 HydrophobicContact CG2-CD1 4.04Å; T308-Y310 HydrophobicContact CG2-CE1 4.41Å; T308-P321 HydrophobicContact CG2-CB 3.58Å; T308-S322 CarbonylContact C-O 3.51Å; T308-S322 WeakPolarHBondContact CA-O 3.32Å; T308-T323 HydrophobicContact CG2-CG2 3.77Å |
| 309 | V | 87.9 | Confident | 80.8 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 127 | 179.6 | -172.7 | 0 | 0 | 0 | 0 | 109.7 | V237 I248 W250 V261 F262 I263 V307 S322 | V237-V309 HydrophobicContact CG1-CB 3.85Å; V237-V309 HydrophobicContact CG1-CG1 4.09Å; V237-V309 HydrophobicContact CG1-CG2 3.96Å; V237-V309 HydrophobicContact CG2-CG1 4.47Å; I248-V309 HydrophobicContact CG2-CG2 3.79Å; W250-V309 HydrophobicContact CE3-CG1 4.42Å; V261-V309 HydrophobicContact CG1-CG1 3.67Å; F262-V309 WeakPolarHBondContact O-CA 3.24Å; I263-V309 HydrophobicContact CG1-CG1 4.3Å; I263-V309 HydrophobicContact CG1-CG2 4.36Å; V307-V309 HydrophobicContact CG1-CG2 4.36Å; V309-S322 PolarHBondContact N-O 3.48Å; V309-S322 PolarHBondContact O-N 3.39Å |
| 310 | Y | 87.6 | Confident | 80.3 | Confident | 58 Ų | 58 | 39.8 Ų | 39.8 | 23% | 0.227 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 153.8 | 177.2 | 59.8 | -84.1 | 0 | 0 | 0 | 112.1 | V261 F262 T308 L312 P321 | V261-Y310 WeakPolarHBondContact CA-O 3.41Å; F262-Y310 HydrophobicContact CB-CD2 4.42Å; F262-Y310 HydrophobicContact CB-CE1 4.09Å; F262-Y310 HydrophobicContact CB-CE2 3.97Å; F262-Y310 PolarHBondContact N-O 3.37Å; F262-Y310 PolarHBondContact O-N 3.19Å; F262-Y310 VanDerWaalsContact O-N 3.08Å; T308-Y310 HydrophobicContact CG2-CD1 4.04Å; T308-Y310 HydrophobicContact CG2-CE1 4.41Å; Y310-L312 HydrophobicContact CD2-CD1 4.2Å; Y310-L312 HydrophobicContact CD2-CG 4.37Å; Y310-L312 HydrophobicContact CE2-CD1 3.54Å; Y310-L312 HydrophobicContact CE2-CG 4.09Å; Y310-P321 HydrophobicContact CD1-CB 4.37Å |
| 311 | G | 83.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 154.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S260 S318 T319 | S260-G311 CarbonylContact O-C 3.53Å; S260-G311 VanDerWaalsContact O-CA 3.3Å; S260-G311 WeakPolarHBondContact O-CA 3.42Å; G311-S318 CarbonylContact O-C 3.55Å; G311-S318 VanDerWaalsContact O-CA 3.3Å; G311-S318 WeakPolarHBondContact O-CA 3.13Å; G311-T319 PolarHBondContact N-OG1 2.86Å; G311-T319 PolarHBondContact O-N 2.83Å |
| 312 | L | 79.5 | Confident | 80 | Confident | 26 Ų | 26 | 38.1 Ų | 38.1 | 14% | 0.136 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 129.9 | 179.7 | -102.2 | 148.2 | 0 | 0 | 0 | 110.6 | Q259 S260 F262 Y310 G316 | Q259-L312 PolarHBondContact N-O 3.49Å; S260-L312 PolarHBondContact N-O 2.86Å; S260-L312 PolarHBondContact O-N 3.46Å; F262-L312 HydrophobicContact CB-CD1 4.24Å; F262-L312 HydrophobicContact CD1-CD1 4.22Å; F262-L312 HydrophobicContact CD2-CB 4.28Å; F262-L312 HydrophobicContact CD2-CD1 3.13Å; F262-L312 HydrophobicContact CD2-CG 4.27Å; F262-L312 HydrophobicContact CE1-CD1 4.36Å; F262-L312 HydrophobicContact CE2-CB 4.35Å; F262-L312 HydrophobicContact CE2-CD1 3.31Å; F262-L312 HydrophobicContact CE2-CG 4.42Å; F262-L312 HydrophobicContact CG-CD1 3.62Å; F262-L312 HydrophobicContact CZ-CD1 3.94Å; Y310-L312 HydrophobicContact CD2-CD1 4.2Å; Y310-L312 HydrophobicContact CD2-CG 4.37Å; Y310-L312 HydrophobicContact CE2-CD1 3.54Å; Y310-L312 HydrophobicContact CE2-CG 4.09Å; L312-G316 VanDerWaalsContact CD2-CA 3.47Å; L312-G316 VanDerWaalsContact CD2-O 3.29Å; L312-G316 WeakPolarHBondContact CD2-O 3.41Å |
| 313 | T | 75.3 | Confident | 79.9 | Confident | 8 Ų | 8 | 41.9 Ų | 41.9 | 5% | 0.049 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 165.9 | 173.4 | 68.5 | 0 | 0 | 0 | 0 | 111.8 | S257 I258 R315 G316 V317 | S257-T313 WeakPolarHBondContact O-CA 3.45Å; S257-T313 WeakPolarHBondContact O-CB 3.25Å; I258-T313 HydrophobicContact CG1-CG2 4.12Å; T313-R315 PolarHBondContact O-N 2.58Å; T313-R315 VanDerWaalsContact O-N 3.12Å; T313-G316 PolarHBondContact O-N 3.13Å; T313-V317 HydrophobicContact CG2-CB 4.38Å; T313-V317 PolarHBondContact N-O 3.5Å; T313-V317 WeakPolarHBondContact OG1-CB 3.02Å; T313-V317 PolarHBondContact OG1-N 3.15Å; T313-V317 VanDerWaalsContact OG1-N 3.12Å; T313-V317 PolarHBondContact OG1-O 3.48Å |
| 314 | S | 68.7 | Low | 79.9 | Confident | 75 Ų | 75 | 43.2 Ų | 43.2 | 52% | 0.524 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -25 | 175.8 | 59.3 | 0 | 0 | 0 | 0 | 114.1 | S257 | S257-S314 PolarHBondContact O-N 3.13Š|
| 315 | R | 66.4 | Low | 79.9 | Confident | 167 Ų | 167 | 43.3 Ų | 43.3 | 63% | 0.63 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -2.8 | 175.7 | -78.3 | -172.5 | 169 | -165.9 | -0.8 | 114.5 | T313 | T313-R315 PolarHBondContact O-N 2.58Å; T313-R315 VanDerWaalsContact O-N 3.12Å |
| 316 | G | 67.5 | Low | 79.8 | Confident | 46 Ų | 46 | 43.9 Ų | 43.9 | 47% | 0.474 | 26% | 0.259 | S | S | . | . | trans | 90.2 | 11.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L312 T313 | L312-G316 VanDerWaalsContact CD2-CA 3.47Å; L312-G316 VanDerWaalsContact CD2-O 3.29Å; L312-G316 WeakPolarHBondContact CD2-O 3.41Å; T313-G316 PolarHBondContact O-N 3.13Å | ||
| 317 | V | 70.5 | Confident | 79.7 | Confident | 15 Ų | 15 | 45.8 Ų | 45.8 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 124.5 | 174.1 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | I229 C231 T313 | I229-V317 HydrophobicContact CG2-CG1 4.41Å; C231-V317 HydrophobicContact CB-CG1 4.44Å; T313-V317 HydrophobicContact CG2-CB 4.38Å; T313-V317 PolarHBondContact N-O 3.5Å; T313-V317 WeakPolarHBondContact OG1-CB 3.02Å; T313-V317 PolarHBondContact OG1-N 3.15Å; T313-V317 VanDerWaalsContact OG1-N 3.12Å; T313-V317 PolarHBondContact OG1-O 3.48Å |
| 318 | S | 75.1 | Confident | 79.7 | Confident | 47 Ų | 47 | 46 Ų | 46 | 33% | 0.329 | 27% | 0.27 | S | S | . | . | B | Isolated β-bridge | trans | -85.5 | 141.9 | 179.3 | 49.9 | 0 | 0 | 0 | 0 | 111.9 | G311 | G311-S318 CarbonylContact O-C 3.55Å; G311-S318 VanDerWaalsContact O-CA 3.3Å; G311-S318 WeakPolarHBondContact O-CA 3.13Å |
| 319 | T | 79.5 | Confident | 79.5 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -68.5 | 163 | 165.9 | 67.3 | 0 | 0 | 0 | 0 | 110.2 | S232 I258 G311 | S232-T319 VanDerWaalsContact O-CB 3.29Å; S232-T319 WeakPolarHBondContact O-CB 3.46Å; S232-T319 WeakPolarHBondContact O-CG2 3.09Å; I258-T319 HydrophobicContact CD1-CG2 3.46Å; I258-T319 VanDerWaalsContact CD1-CG2 3.46Å; I258-T319 HydrophobicContact CG1-CG2 4.01Å; G311-T319 PolarHBondContact N-OG1 2.86Å; G311-T319 PolarHBondContact O-N 2.83Å |
| 320 | S | 75.9 | Confident | 79.6 | Confident | 53 Ų | 53 | 52 Ų | 52 | 37% | 0.371 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 127.6 | 168.4 | 5 | 0 | 0 | 0 | 0 | 110.3 | C231 A233 | C231-S320 PolarHBondContact O-N 2.65Å; C231-S320 PolarHBondContact O-OG 2.78Å; A233-S320 WeakPolarHBondContact CA-OG 3.3Å; A233-S320 WeakPolarHBondContact CB-OG 3.49Å; A233-S320 PolarHBondContact N-OG 3.05Å |
| 321 | P | 82.2 | Confident | 79.5 | Confident | 76 Ų | 76 | 54.4 Ų | 54.4 | 49% | 0.494 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 138.7 | -174.8 | 28.9 | -33.3 | 0 | 0 | 0 | 112.4 | T308 Y310 | T308-P321 HydrophobicContact CG2-CB 3.58Å; Y310-P321 HydrophobicContact CD1-CB 4.37Å |
| 322 | S | 79.7 | Confident | 79.6 | Confident | 37 Ų | 37 | 58.4 Ų | 58.4 | 26% | 0.259 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 122.3 | 166.3 | -65.6 | 0 | 0 | 0 | 0 | 109.2 | T308 V309 | T308-S322 CarbonylContact C-O 3.51Å; T308-S322 WeakPolarHBondContact CA-O 3.32Å; V309-S322 PolarHBondContact N-O 3.48Å; V309-S322 PolarHBondContact O-N 3.39Å |
| 323 | T | 83.5 | Confident | 80 | Confident | 87 Ų | 87 | 57.5 Ų | 57.5 | 53% | 0.534 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 140.6 | -175.8 | 51.7 | 0 | 0 | 0 | 0 | 112 | I306 V307 T308 | I306-T323 HydrophobicContact CG2-CG2 4.44Å; V307-T323 CarbonylContact O-C 3.5Å; V307-T323 WeakPolarHBondContact O-CA 3.28Å; T308-T323 HydrophobicContact CG2-CG2 3.77Å |
| 324 | T | 83.3 | Confident | 80.5 | Confident | 59 Ų | 59 | 61.1 Ų | 61.1 | 36% | 0.362 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 136 | 175.5 | -53.8 | 0 | 0 | 0 | 0 | 110 | V239 V307 | V239-T324 HydrophobicContact CB-CG2 4.38Å; V307-T324 PolarHBondContact N-O 3.5Å; V307-T324 PolarHBondContact O-N 3.29Å |
| 325 | T | 85.3 | Confident | 81.2 | Confident | 78 Ų | 78 | 57.6 Ų | 57.6 | 48% | 0.479 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 132.6 | 177.9 | -48.6 | 0 | 0 | 0 | 0 | 111 | I268 Y305 I306 | I268-T325 HydrophobicContact CD1-CG2 3.77Å; Y305-T325 CarbonylContact O-C 3.49Å; Y305-T325 WeakPolarHBondContact O-CA 3.22Å; I306-T325 HydrophobicContact CG1-CG2 4.33Å |
| 326 | I | 84.8 | Confident | 82.2 | Confident | 12 Ų | 12 | 51.6 Ų | 51.6 | 6% | 0.062 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 160.8 | 179.9 | 60.1 | 163.9 | 0 | 0 | 0 | 111.6 | P241 V246 L299 R304 Y305 V307 | P241-I326 HydrophobicContact CB-CB 4.1Å; P241-I326 HydrophobicContact CB-CD1 4.23Å; P241-I326 HydrophobicContact CB-CG2 4.1Å; P241-I326 HydrophobicContact CG-CB 4.22Å; P241-I326 HydrophobicContact CG-CG2 3.9Å; V246-I326 HydrophobicContact CB-CD1 3.86Å; V246-I326 HydrophobicContact CG1-CD1 4.36Å; V246-I326 HydrophobicContact CG2-CD1 3.81Å; L299-I326 HydrophobicContact CD1-CD1 3.75Å; R304-I326 VanDerWaalsContact CA-O 3.32Å; R304-I326 WeakPolarHBondContact CA-O 3.42Å; Y305-I326 PolarHBondContact N-O 3.02Å; Y305-I326 PolarHBondContact O-N 2.9Å; V307-I326 HydrophobicContact CG2-CD1 3.92Å; V307-I326 HydrophobicContact CG2-CG1 4.11Å |
| 327 | M | 83.4 | Confident | 83.2 | Confident | 91 Ų | 91 | 49.4 Ų | 49.4 | 45% | 0.448 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 134.9 | 172.6 | -175 | -175.8 | -80.7 | 0 | 0 | 110.4 | R303 R304 | R303-M327 WeakPolarHBondContact O-CA 3.49Å; R304-M327 HydrophobicContact CG-CB 4.2Å; R304-M327 HydrophobicContact CG-CE 3.33Å; R304-M327 HydrophobicContact CG-CG 4Å; R304-M327 HydrophobicContact CG-SD 4.5Å |
| 328 | T | 86.4 | Confident | 83.8 | Confident | 6 Ų | 6 | 51.2 Ų | 51.2 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -90 | 164.7 | 176.1 | 57.8 | 0 | 0 | 0 | 0 | 112.1 | N243 L299 D300 W302 R303 Y305 | N243-T328 VanDerWaalsContact O-CB 3.32Å; N243-T328 WeakPolarHBondContact O-CB 3.3Å; L299-T328 HydrophobicContact CB-CG2 4.22Å; L299-T328 HydrophobicContact CD1-CG2 4.45Å; D300-T328 WeakPolarHBondContact O-CB 3.41Å; D300-T328 WeakPolarHBondContact O-CG2 3.34Å; D300-T328 PolarHBondContact O-OG1 3.26Å; W302-T328 PolarHBondContact N-OG1 3.1Å; W302-T328 VanDerWaalsContact N-OG1 3.08Å; R303-T328 PolarHBondContact N-OG1 3.36Å; R303-T328 PolarHBondContact O-N 2.69Å; R303-T328 PolarHBondContact O-OG1 3.01Å; Y305-T328 HydrophobicContact CE2-CG2 4.42Å |
| 329 | S | 84.3 | Confident | 84.1 | Confident | 47 Ų | 47 | 53.8 Ų | 53.8 | 33% | 0.329 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 167.4 | -171.9 | 53 | 0 | 0 | 0 | 0 | 115.7 | Y301 W302 | Y301-S329 WeakPolarHBondContact CD1-O 3.39Å; Y301-S329 WeakPolarHBondContact CD1-OG 3.23Å; Y301-S329 VanDerWaalsContact CE1-OG 3.26Å; Y301-S329 WeakPolarHBondContact CE1-OG 3.41Å; W302-S329 WeakPolarHBondContact CA-O 3.48Å; W302-S329 PolarHBondContact N-O 3.18Å |
| 330 | F | 88.5 | Confident | 84.1 | Confident | 102 Ų | 102 | 54.8 Ų | 54.8 | 45% | 0.447 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -81 | 161.2 | -176.7 | -52.1 | -25.4 | 0 | 0 | 0 | 114.7 | W302 V415 | W302-F330 AromaticContact CD1-CD1 3.25Å; W302-F330 AromaticContact CD1-CE1 3.41Å; W302-F330 VanDerWaalsContact CD1-CE1 3.41Å; W302-F330 HydrophobicContact CG-CD1 4.05Å; W302-F330 AromaticContact NE1-CD1 3.72Å; W302-F330 AromaticContact NE1-CE1 3.55Å; F330-V415 HydrophobicContact CB-CG2 3.84Å |
| 331 | E | 86.9 | Confident | 84.2 | Confident | 108 Ų | 108 | 57.6 Ų | 57.6 | 51% | 0.505 | 32% | 0.318 | S | S | . | . | trans | -144.3 | 166.1 | 178.6 | -173.1 | 174.4 | -169.2 | 0 | 0 | 111.8 | G363 N413 | E331-G363 PolarHBondContact N-O 2.96Å; E331-G363 CarbonylContact O-C 3.47Å; E331-G363 VanDerWaalsContact O-CA 3.29Å; E331-G363 WeakPolarHBondContact O-CA 3.41Å; E331-N413 PolarHBondContact O-ND2 3.47Å | ||
| 332 | N | 84.5 | Confident | 83.7 | Confident | 84 Ų | 84 | 57 Ų | 57 | 45% | 0.449 | 31% | 0.308 | S | S | . | . | trans | -60.1 | 147.4 | 171.6 | -79.6 | -36.3 | 0 | 0 | 0 | 112.6 | S334 V415 G416 | N332-S334 PolarHBondContact O-N 3.47Å; N332-V415 VanDerWaalsContact OD1-C 3.24Å; N332-V415 WeakPolarHBondContact OD1-CG1 3.46Å; N332-V415 PolarHBondContact OD1-O 2.81Å; N332-G416 VanDerWaalsContact OD1-CA 3.28Å; N332-G416 WeakPolarHBondContact OD1-CA 3.33Å; N332-G416 PolarHBondContact OD1-N 2.76Å | ||
| 333 | P | 88.3 | Confident | 83.3 | Confident | 8 Ų | 8 | 59.6 Ų | 59.6 | 5% | 0.052 | 32% | 0.319 | C | S | . | . | trans | -66.5 | 131 | 173.7 | -9.2 | 24.4 | 0 | 0 | 0 | 110.6 | Q361 R362 Y411 N413 G416 G418 | P333-Q361 CarbonylContact C-O 3.41Å; P333-Q361 WeakPolarHBondContact CA-O 3.49Å; P333-R362 WeakPolarHBondContact CA-O 3.47Å; P333-R362 WeakPolarHBondContact CB-O 3.41Å; P333-R362 WeakPolarHBondContact CG-O 3.29Å; P333-Y411 HydrophobicContact CB-CD1 3.98Å; P333-Y411 HydrophobicContact CG-CD1 3.83Å; P333-Y411 HydrophobicContact CG-CE1 4.32Å; P333-N413 VanDerWaalsContact CD-ND2 3.34Å; P333-N413 WeakPolarHBondContact CD-ND2 3.2Å; P333-N413 HydrophobicContact CG-CB 3.95Å; P333-N413 WeakPolarHBondContact CG-ND2 2.88Å; P333-G416 WeakPolarHBondContact CD-O 3.29Å; P333-G418 WeakPolarHBondContact O-CA 3.34Å | ||
| 334 | S | 85.4 | Confident | 82.5 | Confident | 84 Ų | 84 | 58.2 Ų | 58.2 | 59% | 0.587 | 31% | 0.313 | S | S | * | . | trans | -96.6 | -14.1 | 179.3 | 57.1 | 0 | 0 | 0 | 0 | 113.9 | N332 Q361 | N332-S334 PolarHBondContact O-N 3.47Å; S334-Q361 PolarHBondContact N-O 2.63Å; S334-Q361 WeakPolarHBondContact OG-CA 3.49Å; S334-Q361 PolarHBondContact OG-O 2.85Å | ||
| 335 | G | 83.2 | Confident | 81.8 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -119.5 | 149.1 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | P357 Q361 | G335-P357 WeakPolarHBondContact O-CG 3.35Å; G335-Q361 PolarHBondContact N-O 3.15Å |
| 336 | P | 88.1 | Confident | 80.8 | Confident | 41 Ų | 41 | 58.3 Ų | 58.3 | 27% | 0.266 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -85.2 | 160.1 | 178.2 | 36.1 | -35.4 | 0 | 0 | 0 | 111.8 | L338 P419 | P336-L338 PolarHBondContact O-N 2.78Å; P336-P419 VanDerWaalsContact CA-O 3.29Å; P336-P419 WeakPolarHBondContact CA-O 3.27Å; P336-P419 HydrophobicContact CB-CB 4.32Å; P336-P419 HydrophobicContact CB-CG 4.15Å; P336-P419 VanDerWaalsContact CB-O 3.31Å; P336-P419 WeakPolarHBondContact CB-O 3.48Å; P336-P419 HydrophobicContact CG-CG 4.48Å |
| 337 | P | 88.2 | Confident | 79.8 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 131.4 | 171.6 | -24.4 | 35 | 0 | 0 | 0 | 111.8 | W354 D355 Y369 V409 S421 | P337-W354 HydrophobicContact CB-CB 4.37Å; P337-W354 HydrophobicContact CB-CG 4.22Å; P337-D355 CarbonylContact C-O 3.59Å; P337-D355 WeakPolarHBondContact CA-O 3.38Å; P337-Y369 HydrophobicContact CB-CE1 4.35Å; P337-Y369 HydrophobicContact CG-CD1 4.19Å; P337-Y369 HydrophobicContact CG-CE1 3.99Å; P337-V409 HydrophobicContact CB-CG1 4.5Å; P337-V409 VanDerWaalsContact CD-O 3.27Å; P337-V409 WeakPolarHBondContact CD-O 3.3Å; P337-V409 HydrophobicContact CG-CG1 4.13Å; P337-V409 WeakPolarHBondContact CG-O 3.44Å; P337-S421 VanDerWaalsContact O-CB 3.27Å; P337-S421 WeakPolarHBondContact O-CB 3.44Å; P337-S421 PolarHBondContact O-OG 3.46Å |
| 338 | L | 84 | Confident | 79.3 | Confident | 53 Ų | 53 | 64.2 Ų | 64.2 | 28% | 0.277 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 159.2 | -172.2 | -65.9 | 178 | 0 | 0 | 0 | 112.4 | P336 L340 W354 D355 L358 | P336-L338 PolarHBondContact O-N 2.78Å; L338-L340 PolarHBondContact O-N 2.99Å; L338-L340 VanDerWaalsContact O-N 3.1Å; L338-W354 CarbonylContact O-C 3.57Å; L338-W354 WeakPolarHBondContact O-CA 3.36Å; L338-W354 WeakPolarHBondContact O-CB 3.34Å; L338-D355 HydrophobicContact CB-CB 4.3Å; L338-D355 PolarHBondContact N-O 2.97Å; L338-D355 PolarHBondContact O-N 2.91Å; L338-L358 HydrophobicContact CD1-CD2 3.64Å; L338-L358 HydrophobicContact CD1-CG 3.68Å |
| 339 | N | 81.9 | Confident | 78.8 | Confident | 101 Ų | 101 | 64.7 Ų | 64.7 | 54% | 0.54 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 52.7 | 35.9 | 171.4 | -54.7 | -41 | 0 | 0 | 0 | 115.3 | R341 D355 | N339-R341 VanDerWaalsContact CB-NH1 3.32Å; N339-R341 WeakPolarHBondContact O-CG 3.49Å; N339-R341 PolarHBondContact O-N 2.99Å; N339-R341 PolarHBondContact O-NH1 2.88Å; N339-D355 WeakPolarHBondContact CB-OD2 3.49Å; N339-D355 PolarHBondContact ND2-OD2 3.18Å |
| 340 | L | 78 | Confident | 78.3 | Confident | 23 Ų | 23 | 62.5 Ų | 62.5 | 12% | 0.12 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 107.6 | 172.2 | -179.7 | 63.9 | 0 | 0 | 0 | 109.3 | L338 T353 W354 L407 V409 S421 L423 | L338-L340 PolarHBondContact O-N 2.99Å; L338-L340 VanDerWaalsContact O-N 3.1Å; L340-T353 WeakPolarHBondContact CA-O 3.43Å; L340-W354 HydrophobicContact CB-CB 4.29Å; L340-W354 HydrophobicContact CD1-CB 4.07Å; L340-W354 HydrophobicContact CD1-CD2 4.21Å; L340-W354 HydrophobicContact CD1-CE3 3.53Å; L340-W354 HydrophobicContact CD1-CG 4.46Å; L340-W354 HydrophobicContact CD1-CZ3 4.31Å; L340-L407 HydrophobicContact CD1-CD2 4.05Å; L340-V409 HydrophobicContact CD1-CG2 3.78Å; L340-V409 HydrophobicContact CD2-CG2 4.05Å; L340-S421 VanDerWaalsContact CD2-O 3.26Å; L340-S421 WeakPolarHBondContact CD2-O 3.1Å; L340-L423 HydrophobicContact CD2-CB 3.71Å; L340-L423 HydrophobicContact CG-CB 3.88Å; L340-L423 HydrophobicContact CG-CD2 4.4Å |
| 341 | R | 78.3 | Confident | 77.9 | Confident | 113 Ų | 113 | 59.8 Ų | 59.8 | 43% | 0.426 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 152 | -172.9 | 68.4 | -174.9 | 178.3 | -98.6 | 5.7 | 112.1 | N339 V352 T353 D355 | N339-R341 VanDerWaalsContact CB-NH1 3.32Å; N339-R341 WeakPolarHBondContact O-CG 3.49Å; N339-R341 PolarHBondContact O-N 2.99Å; N339-R341 PolarHBondContact O-NH1 2.88Å; R341-V352 WeakPolarHBondContact O-CA 2.92Å; R341-T353 HydrophobicContact CG-CG2 3.75Å; R341-T353 PolarHBondContact N-O 2.67Å; R341-T353 PolarHBondContact O-N 3.27Å; R341-D355 IonicContact NH1-OD2 3.74Å |
| 342 | Q | 72.6 | Confident | 77.5 | Confident | 62 Ų | 62 | 54.7 Ų | 54.7 | 29% | 0.29 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 125.2 | 170.3 | 166.8 | 172.8 | -26 | 0 | 0 | 109.5 | V350 L423 | Q342-V350 HydrophobicContact CB-CG1 4.15Å; Q342-V350 HydrophobicContact CG-CG1 3.58Å; Q342-L423 HydrophobicContact CB-CD2 4.26Å |
| 343 | L | 70.5 | Confident | 77.5 | Confident | 93 Ų | 93 | 51.4 Ų | 51.4 | 49% | 0.487 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -40.3 | 176.4 | -69.7 | 177 | 0 | 0 | 0 | 112.1 | N351 T353 P393 | L343-N351 HydrophobicContact CB-CB 4.38Å; L343-N351 PolarHBondContact N-O 2.85Å; L343-T353 HydrophobicContact CD1-CG2 3.78Å; L343-T353 HydrophobicContact CD2-CG2 3.75Å; L343-T353 HydrophobicContact CG-CG2 3.68Å; L343-P393 HydrophobicContact CD1-CB 3.76Å; L343-P393 HydrophobicContact CD1-CG 4.35Å |
| 344 | S | 67 | Low | 77.3 | Confident | 58 Ų | 58 | 51.3 Ų | 51.3 | 41% | 0.406 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 151.9 | -179.4 | 60.2 | 0 | 0 | 0 | 0 | 110.9 | N351 | S344-N351 PolarHBondContact O-N 3.36Å |
| 345 | Q | 68.3 | Low | 77.2 | Confident | 89 Ų | 89 | 50.5 Ų | 50.5 | 42% | 0.416 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 137 | 173.6 | 52.9 | -175.8 | 18.4 | 0 | 0 | 110.9 | V350 L427 N428 | Q345-V350 HydrophobicContact CB-CG2 4.21Å; Q345-L427 HydrophobicContact CB-CD2 3.82Å; Q345-N428 PolarHBondContact NE2-O 3.46Å |
| 346 | S | 64.8 | Low | 77.3 | Confident | 49 Ų | 49 | 53.4 Ų | 53.4 | 34% | 0.343 | 28% | 0.28 | S | S | . | . | trans | -107.5 | -175.4 | 163.3 | 83.5 | 0 | 0 | 0 | 0 | 109.9 | Q348 S349 L427 | S346-Q348 PolarHBondContact O-N 2.87Å; S346-Q348 PolarHBondContact OG-N 2.9Å; S346-S349 PolarHBondContact N-O 2.9Å; S346-S349 PolarHBondContact OG-N 3.5Å; S346-S349 PolarHBondContact OG-O 2.81Å; S346-S349 PolarHBondContact OG-OG 3.46Å; S346-L427 WeakPolarHBondContact O-CD2 3.18Å | ||
| 347 | N | 64.5 | Low | 77.2 | Confident | 120 Ų | 120 | 51.4 Ų | 51.4 | 64% | 0.642 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -66.9 | -21.6 | 174.6 | 63.6 | -11.4 | 0 | 0 | 0 | 113.6 | P401 | N347-P401 WeakPolarHBondContact O-CG 3.39Š|
| 348 | Q | 71.2 | Confident | 76.9 | Confident | 107 Ų | 107 | 56 Ų | 56 | 50% | 0.5 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -138.9 | 5.8 | -174.9 | -67.2 | -176.6 | -5.8 | 0 | 0 | 114.7 | S346 N398 L399 | S346-Q348 PolarHBondContact O-N 2.87Å; S346-Q348 PolarHBondContact OG-N 2.9Å; Q348-N398 PolarHBondContact O-N 2.79Å; Q348-L399 VanDerWaalsContact CA-O 3.32Å; Q348-L399 WeakPolarHBondContact CA-O 3.48Å; Q348-L399 PolarHBondContact O-N 3.24Å |
| 349 | S | 76.3 | Confident | 76.7 | Confident | 17 Ų | 17 | 54.5 Ų | 54.5 | 12% | 0.119 | 29% | 0.285 | C | S | . | . | trans | -146.8 | 152.2 | -178.9 | 69 | 0 | 0 | 0 | 0 | 112.3 | S346 Q395 I396 N397 | S346-S349 PolarHBondContact N-O 2.9Å; S346-S349 PolarHBondContact OG-N 3.5Å; S346-S349 PolarHBondContact OG-O 2.81Å; S346-S349 PolarHBondContact OG-OG 3.46Å; S349-Q395 PolarHBondContact OG-NE2 2.93Å; S349-I396 WeakPolarHBondContact CA-O 3.42Å; S349-I396 WeakPolarHBondContact CB-O 3.45Å; S349-N397 WeakPolarHBondContact CB-OD1 3.43Å | ||
| 350 | V | 74.3 | Confident | 76.6 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 132.3 | 173.8 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | Q342 Q345 V352 I396 L399 I425 L427 | Q342-V350 HydrophobicContact CB-CG1 4.15Å; Q342-V350 HydrophobicContact CG-CG1 3.58Å; Q345-V350 HydrophobicContact CB-CG2 4.21Å; V350-V352 HydrophobicContact CG1-CG1 4.07Å; V350-I396 PolarHBondContact N-O 2.93Å; V350-I396 VanDerWaalsContact N-O 3.08Å; V350-I396 PolarHBondContact O-N 3.26Å; V350-L399 HydrophobicContact CB-CD1 4.15Å; V350-L399 HydrophobicContact CG2-CD1 3.99Å; V350-I425 HydrophobicContact CB-CD1 4.4Å; V350-I425 HydrophobicContact CB-CG2 4.22Å; V350-I425 HydrophobicContact CG1-CD1 4.01Å; V350-I425 HydrophobicContact CG1-CG2 4.21Å; V350-I425 HydrophobicContact CG2-CG2 3.6Å; V350-L427 HydrophobicContact CG2-CD2 4.16Å |
| 351 | N | 79.2 | Confident | 77 | Confident | 44 Ų | 44 | 53.3 Ų | 53.3 | 24% | 0.235 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 120.6 | 171.7 | -76.8 | -7.9 | 0 | 0 | 0 | 109.1 | L343 S344 Q395 | L343-N351 HydrophobicContact CB-CB 4.38Å; L343-N351 PolarHBondContact N-O 2.85Å; S344-N351 PolarHBondContact O-N 3.36Å; N351-Q395 WeakPolarHBondContact OD1-CA 3.45Å; N351-Q395 WeakPolarHBondContact OD1-CB 3.36Å; N351-Q395 WeakPolarHBondContact OD1-CG 3.45Å |
| 352 | V | 79.1 | Confident | 77.3 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 143.2 | 178.5 | -74.6 | 0 | 0 | 0 | 0 | 110.8 | R341 V350 W354 P393 I394 I396 L407 L423 I425 | R341-V352 WeakPolarHBondContact O-CA 2.92Å; V350-V352 HydrophobicContact CG1-CG1 4.07Å; V352-W354 HydrophobicContact CB-CZ3 4.41Å; V352-W354 HydrophobicContact CG2-CZ3 3.93Å; V352-P393 CarbonylContact O-C 3.6Å; V352-P393 VanDerWaalsContact O-CA 3.26Å; V352-P393 WeakPolarHBondContact O-CA 3.29Å; V352-I394 VanDerWaalsContact CG2-O 3.3Å; V352-I394 WeakPolarHBondContact CG2-O 3.36Å; V352-I394 PolarHBondContact N-O 3.28Å; V352-I394 PolarHBondContact O-N 3.26Å; V352-I396 HydrophobicContact CG2-CD1 3.71Å; V352-I396 HydrophobicContact CG2-CG1 4.12Å; V352-L407 HydrophobicContact CB-CD2 3.99Å; V352-L407 HydrophobicContact CG1-CD2 3.71Å; V352-L407 HydrophobicContact CG2-CD2 3.84Å; V352-L423 HydrophobicContact CG1-CD2 4.01Å; V352-I425 HydrophobicContact CG1-CD1 3.93Å |
| 353 | T | 83.8 | Confident | 77.8 | Confident | 16 Ų | 16 | 47.2 Ų | 47.2 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 156 | 172.8 | -165.5 | 0 | 0 | 0 | 0 | 110.2 | L340 R341 L343 | L340-T353 WeakPolarHBondContact CA-O 3.43Å; R341-T353 HydrophobicContact CG-CG2 3.75Å; R341-T353 PolarHBondContact N-O 2.67Å; R341-T353 PolarHBondContact O-N 3.27Å; L343-T353 HydrophobicContact CD1-CG2 3.78Å; L343-T353 HydrophobicContact CD2-CG2 3.75Å; L343-T353 HydrophobicContact CG-CG2 3.68Å |
| 354 | W | 85.5 | Confident | 78.5 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 2% | 0.019 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 159.5 | 174 | 55.4 | 89.1 | 0 | 0 | 0 | 108.4 | P337 L338 L340 V352 Y369 I371 P392 I394 V409 | P337-W354 HydrophobicContact CB-CB 4.37Å; P337-W354 HydrophobicContact CB-CG 4.22Å; L338-W354 CarbonylContact O-C 3.57Å; L338-W354 WeakPolarHBondContact O-CA 3.36Å; L338-W354 WeakPolarHBondContact O-CB 3.34Å; L340-W354 HydrophobicContact CB-CB 4.29Å; L340-W354 HydrophobicContact CD1-CB 4.07Å; L340-W354 HydrophobicContact CD1-CD2 4.21Å; L340-W354 HydrophobicContact CD1-CE3 3.53Å; L340-W354 HydrophobicContact CD1-CG 4.46Å; L340-W354 HydrophobicContact CD1-CZ3 4.31Å; V352-W354 HydrophobicContact CB-CZ3 4.41Å; V352-W354 HydrophobicContact CG2-CZ3 3.93Å; W354-Y369 HydrophobicContact CZ2-CG 4.4Å; W354-Y369 AromaticContact NE1-CD1 3.56Å; W354-Y369 AromaticContact NE1-CD2 3.98Å; W354-Y369 AromaticContact NE1-CE1 3.59Å; W354-Y369 AromaticContact NE1-CG 3.78Å; W354-Y369 AromaticContact NE1-CZ 3.87Å; W354-I371 HydrophobicContact CH2-CD1 3.54Å; W354-I371 HydrophobicContact CH2-CG1 4Å; W354-I371 HydrophobicContact CZ2-CD1 3.97Å; W354-I371 HydrophobicContact CZ2-CG1 4.27Å; W354-P392 HydrophobicContact CD2-CB 4.37Å; W354-P392 HydrophobicContact CD2-CG 4.21Å; W354-P392 HydrophobicContact CE3-CB 4.41Å; W354-P392 HydrophobicContact CH2-CB 4.45Å; W354-P392 HydrophobicContact CZ2-CB 4.39Å; W354-P392 HydrophobicContact CZ2-CG 4.24Å; W354-P392 HydrophobicContact CZ3-CB 4.45Å; W354-I394 HydrophobicContact CH2-CB 4.22Å; W354-I394 HydrophobicContact CH2-CD1 3.65Å; W354-I394 HydrophobicContact CH2-CG1 3.85Å; W354-I394 HydrophobicContact CZ2-CD1 4.07Å; W354-I394 HydrophobicContact CZ2-CG1 4.49Å; W354-V409 HydrophobicContact CD2-CG1 3.98Å; W354-V409 HydrophobicContact CD2-CG2 4.43Å; W354-V409 HydrophobicContact CE3-CG1 4.49Å; W354-V409 HydrophobicContact CE3-CG2 4.18Å; W354-V409 HydrophobicContact CG-CG1 4.4Å; W354-V409 HydrophobicContact CH2-CG1 4.37Å; W354-V409 HydrophobicContact CH2-CG2 4.46Å; W354-V409 HydrophobicContact CZ2-CG1 3.86Å; W354-V409 HydrophobicContact CZ3-CG2 4.19Å |
| 355 | D | 83.5 | Confident | 79.3 | Confident | 67 Ų | 67 | 42 Ų | 42 | 36% | 0.358 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 158.6 | 172.2 | -57.2 | -43.4 | 0 | 0 | 0 | 109.4 | P337 L338 N339 R341 | P337-D355 CarbonylContact C-O 3.59Å; P337-D355 WeakPolarHBondContact CA-O 3.38Å; L338-D355 HydrophobicContact CB-CB 4.3Å; L338-D355 PolarHBondContact N-O 2.97Å; L338-D355 PolarHBondContact O-N 2.91Å; N339-D355 WeakPolarHBondContact CB-OD2 3.49Å; N339-D355 PolarHBondContact ND2-OD2 3.18Å; R341-D355 IonicContact NH1-OD2 3.74Å |
| 356 | N | 84.6 | Confident | 79.9 | Confident | 61 Ų | 61 | 40.1 Ų | 40.1 | 33% | 0.326 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -62.1 | 157.6 | 173.7 | -61.7 | 16.6 | 0 | 0 | 0 | 110.4 | Y369 | N356-Y369 PolarHBondContact OD1-OH 3.46Š|
| 357 | P | 85.3 | Confident | 80.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -53 | 155.1 | 164.1 | -17.8 | 28.4 | 0 | 0 | 0 | 110.4 | G335 C359 Q361 R362 Y411 | G335-P357 WeakPolarHBondContact O-CG 3.35Å; P357-C359 PolarHBondContact O-N 3.18Å; P357-Q361 HydrophobicContact CB-CB 4.46Å; P357-R362 HydrophobicContact CB-CG 4.2Å; P357-R362 PolarHBondContact O-NE 2.79Å; P357-R362 PolarHBondContact O-NH2 3.26Å; P357-Y411 HydrophobicContact CG-CD2 3.81Å; P357-Y411 HydrophobicContact CG-CG 3.8Å |
| 358 | L | 81.4 | Confident | 81.7 | Confident | 95 Ų | 95 | 37.5 Ų | 37.5 | 50% | 0.497 | 20% | 0.199 | S | C | . | . | P | Polyproline II helix | trans | -53.3 | 141.3 | 171.5 | -61.9 | 173.9 | 0 | 0 | 0 | 109.3 | L338 S360 Q361 | L338-L358 HydrophobicContact CD1-CD2 3.64Å; L338-L358 HydrophobicContact CD1-CG 3.68Å; L358-S360 PolarHBondContact O-N 2.72Å; L358-S360 VanDerWaalsContact O-N 3.13Å; L358-Q361 HydrophobicContact CB-CG 4.33Å; L358-Q361 WeakPolarHBondContact O-CA 3.48Å; L358-Q361 WeakPolarHBondContact O-CB 3.34Å; L358-Q361 PolarHBondContact O-N 3.16Å |
| 359 | C | 80.7 | Confident | 82.4 | Confident | 23 Ų | 23 | 32.9 Ų | 32.9 | 16% | 0.155 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -53.2 | -39.3 | -174.4 | -75.5 | 0 | 0 | 0 | 0 | 113.1 | I270 C273 P357 Q361 R362 | I270-C359 HydrophobicContact CB-CB 4.41Å; I270-C359 HydrophobicContact CD1-CB 4.35Å; I270-C359 WeakPolarHBondContact CG2-O 3.08Å; C273-C359 HydrophobicContact CB-CB 3.49Å; C273-C359 VanDerWaalsContact CB-CB 3.49Å; C273-C359 WeakPolarHBondContact CB-SG 3.19Å; C273-C359 WeakPolarHBondContact SG-CB 3.29Å; C273-C359 CovalentContact SG-SG 2.03Å; C273-C359 PolarHBondContact SG-SG 3.04Å; P357-C359 PolarHBondContact O-N 3.18Å; C359-Q361 PolarHBondContact O-N 2.74Å; C359-Q361 VanDerWaalsContact O-N 3.15Å; C359-R362 PolarHBondContact O-N 2.73Å |
| 360 | S | 79.9 | Confident | 82.7 | Confident | 38 Ų | 38 | 33.2 Ų | 33.2 | 27% | 0.266 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -61.1 | -20.2 | 176.5 | 50.8 | 0 | 0 | 0 | 0 | 114.6 | L358 | L358-S360 PolarHBondContact O-N 2.72Å; L358-S360 VanDerWaalsContact O-N 3.13Å |
| 361 | Q | 85.3 | Confident | 83.2 | Confident | 60 Ų | 60 | 33.2 Ų | 33.2 | 28% | 0.28 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -104.3 | 0.8 | -176.3 | -60.8 | 179.1 | -33.6 | 0 | 0 | 114 | P333 S334 G335 P357 L358 C359 | P333-Q361 CarbonylContact C-O 3.41Å; P333-Q361 WeakPolarHBondContact CA-O 3.49Å; S334-Q361 PolarHBondContact N-O 2.63Å; S334-Q361 WeakPolarHBondContact OG-CA 3.49Å; S334-Q361 PolarHBondContact OG-O 2.85Å; G335-Q361 PolarHBondContact N-O 3.15Å; P357-Q361 HydrophobicContact CB-CB 4.46Å; L358-Q361 HydrophobicContact CB-CG 4.33Å; L358-Q361 WeakPolarHBondContact O-CA 3.48Å; L358-Q361 WeakPolarHBondContact O-CB 3.34Å; L358-Q361 PolarHBondContact O-N 3.16Å; C359-Q361 PolarHBondContact O-N 2.74Å; C359-Q361 VanDerWaalsContact O-N 3.15Å |
| 362 | R | 84.6 | Confident | 83.2 | Confident | 39 Ų | 39 | 33.7 Ų | 33.7 | 15% | 0.147 | 18% | 0.181 | C | C | . | . | trans | -82.6 | -26.7 | -177 | -62.7 | 175.8 | -172.1 | -179.6 | 7.4 | 113.4 | W302 P333 P357 C359 G364 Y411 N413 | W302-R362 HydrophobicContact CH2-CB 4.28Å; W302-R362 HydrophobicContact CZ3-CB 3.83Å; P333-R362 WeakPolarHBondContact CA-O 3.47Å; P333-R362 WeakPolarHBondContact CB-O 3.41Å; P333-R362 WeakPolarHBondContact CG-O 3.29Å; P357-R362 HydrophobicContact CB-CG 4.2Å; P357-R362 PolarHBondContact O-NE 2.79Å; P357-R362 PolarHBondContact O-NH2 3.26Å; C359-R362 PolarHBondContact O-N 2.73Å; R362-G364 WeakPolarHBondContact CB-O 3.16Å; R362-G364 PolarHBondContact O-N 3.28Å; R362-Y411 HydrophobicContact CB-CE1 4.03Å; R362-Y411 WeakPolarHBondContact CD-OH 3.48Å; R362-Y411 HydrophobicContact CG-CE1 4.27Å; R362-Y411 HydrophobicContact CG-CE2 4.35Å; R362-N413 PolarHBondContact O-ND2 3.45Å | ||
| 363 | G | 83.2 | Confident | 83.2 | Confident | 9 Ų | 9 | 34.2 Ų | 34.2 | 9% | 0.093 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 62.7 | -8.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | E331 | E331-G363 PolarHBondContact N-O 2.96Å; E331-G363 CarbonylContact O-C 3.47Å; E331-G363 VanDerWaalsContact O-CA 3.29Å; E331-G363 WeakPolarHBondContact O-CA 3.41Å |
| 364 | G | 86 | Confident | 82.7 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | S | Bend | trans | 173.7 | 170.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | W302 R362 Y411 N413 | W302-G364 VanDerWaalsContact CZ2-C 3.42Å; R362-G364 WeakPolarHBondContact CB-O 3.16Å; R362-G364 PolarHBondContact O-N 3.28Å; G364-Y411 PolarHBondContact O-OH 3.32Å; G364-N413 PolarHBondContact N-ND2 3.08Å |
| 365 | P | 84.3 | Confident | 82.1 | Confident | 41 Ų | 41 | 35.8 Ų | 35.8 | 27% | 0.266 | 20% | 0.195 | S | C | . | . | trans | -65.2 | 156.4 | -179.7 | 28.4 | -35.1 | 0 | 0 | 0 | 112.1 | E367 N413 P414 | P365-E367 PolarHBondContact O-N 2.77Å; P365-N413 WeakPolarHBondContact O-CA 2.88Å; P365-N413 VanDerWaalsContact O-CB 3.24Å; P365-N413 WeakPolarHBondContact O-CB 3.39Å; P365-P414 HydrophobicContact CG-CG 4.15Å; P365-P414 WeakPolarHBondContact O-CD 3.38Å | ||
| 366 | L | 81.2 | Confident | 81 | Confident | 49 Ų | 49 | 39.7 Ų | 39.7 | 26% | 0.257 | 22% | 0.215 | S | C | . | . | trans | -70.4 | 123 | 180 | 174.4 | 68 | 0 | 0 | 0 | 109.9 | M368 Y369 Y411 | L366-M368 WeakPolarHBondContact CD1-O 3.28Å; L366-Y369 HydrophobicContact CD1-CD2 4.19Å; L366-Y369 HydrophobicContact CD1-CE1 4.28Å; L366-Y369 HydrophobicContact CD1-CE2 3.83Å; L366-Y369 HydrophobicContact CD2-CD2 4.13Å; L366-Y369 HydrophobicContact CD2-CE2 3.41Å; L366-Y369 VanDerWaalsContact CD2-CE2 3.41Å; L366-Y369 HydrophobicContact CG-CE2 4.29Å; L366-Y411 WeakPolarHBondContact CA-OH 3.45Å; L366-Y411 HydrophobicContact CB-CE2 3.67Å; L366-Y411 WeakPolarHBondContact CB-OH 3.49Å; L366-Y411 HydrophobicContact CD1-CD1 4.49Å; L366-Y411 HydrophobicContact CD1-CD2 3.5Å; L366-Y411 HydrophobicContact CD1-CE1 4.39Å; L366-Y411 HydrophobicContact CD1-CE2 3.38Å; L366-Y411 HydrophobicContact CD1-CG 4.09Å; L366-Y411 HydrophobicContact CG-CE2 4Å; L366-Y411 PolarHBondContact N-OH 2.9Å | ||
| 367 | E | 81.8 | Confident | 79.7 | Confident | 88 Ų | 88 | 41.1 Ų | 41.1 | 41% | 0.411 | 23% | 0.229 | S | C | . | . | trans | -87.8 | -54.5 | 167.4 | -165.8 | -170.7 | 163.2 | 0 | 0 | 109.9 | P365 K412 | P365-E367 PolarHBondContact O-N 2.77Å; E367-K412 WeakPolarHBondContact CB-O 3.44Å; E367-K412 PolarHBondContact N-O 2.78Å; E367-K412 IonicContact OE1-NZ 2.71Å; E367-K412 PolarHBondContact OE1-NZ 3.22Å; E367-K412 VanDerWaalsContact OE2-CD 3.25Å; E367-K412 WeakPolarHBondContact OE2-CD 3.24Å; E367-K412 WeakPolarHBondContact OE2-CE 3.24Å; E367-K412 IonicContact OE2-NZ 3.48Å; E367-K412 PolarHBondContact OE2-NZ 3Å | ||
| 368 | M | 83.8 | Confident | 78.3 | Confident | 27 Ų | 27 | 45.9 Ų | 45.9 | 13% | 0.133 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.1 | 165.8 | 178.2 | 67.1 | -165.8 | -29.3 | 0 | 0 | 113.1 | L366 L385 N387 K412 | L366-M368 WeakPolarHBondContact CD1-O 3.28Å; M368-L385 HydrophobicContact CE-CB 3.82Å; M368-L385 HydrophobicContact CE-CD1 4.13Å; M368-L385 HydrophobicContact CE-CD2 4Å; M368-L385 HydrophobicContact CE-CG 4.2Å; M368-L385 HydrophobicContact SD-CD2 4.29Å; M368-N387 WeakPolarHBondContact CE-OD1 3.34Å; M368-K412 HydrophobicContact CG-CB 4.14Å; M368-K412 HydrophobicContact CG-CD 3.92Å; M368-K412 PolarHBondContact N-O 3.11Å; M368-K412 WeakPolarHBondContact O-CB 3.43Å; M368-K412 PolarHBondContact O-N 2.87Å; M368-K412 HydrophobicContact SD-CD 4.15Å |
| 369 | Y | 86.2 | Confident | 77 | Confident | 10 Ų | 10 | 45.8 Ų | 45.8 | 4% | 0.039 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 139.2 | 166.3 | -68.7 | -76.9 | 0 | 0 | 0 | 111.5 | P337 W354 N356 L366 A386 V409 A410 Y411 | P337-Y369 HydrophobicContact CB-CE1 4.35Å; P337-Y369 HydrophobicContact CG-CD1 4.19Å; P337-Y369 HydrophobicContact CG-CE1 3.99Å; W354-Y369 HydrophobicContact CZ2-CG 4.4Å; W354-Y369 AromaticContact NE1-CD1 3.56Å; W354-Y369 AromaticContact NE1-CD2 3.98Å; W354-Y369 AromaticContact NE1-CE1 3.59Å; W354-Y369 AromaticContact NE1-CG 3.78Å; W354-Y369 AromaticContact NE1-CZ 3.87Å; N356-Y369 PolarHBondContact OD1-OH 3.46Å; L366-Y369 HydrophobicContact CD1-CD2 4.19Å; L366-Y369 HydrophobicContact CD1-CE1 4.28Å; L366-Y369 HydrophobicContact CD1-CE2 3.83Å; L366-Y369 HydrophobicContact CD2-CD2 4.13Å; L366-Y369 HydrophobicContact CD2-CE2 3.41Å; L366-Y369 VanDerWaalsContact CD2-CE2 3.41Å; L366-Y369 HydrophobicContact CG-CE2 4.29Å; Y369-A386 PolarHBondContact N-O 3.38Å; Y369-A386 PolarHBondContact O-N 2.8Å; Y369-V409 HydrophobicContact CD1-CG1 4.1Å; Y369-A410 WeakPolarHBondContact CA-O 3.26Å; Y369-Y411 AromaticContact CE1-CD2 3.74Å; Y369-Y411 HydrophobicContact CE1-CD2 3.74Å; Y369-Y411 HydrophobicContact CE1-CG 4.44Å; Y369-Y411 AromaticContact CZ-CD2 3.89Å |
| 370 | V | 82.5 | Confident | 75.9 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 14% | 0.139 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 120.7 | 175.1 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | T383 L385 V409 A410 F417 | V370-T383 HydrophobicContact CG1-CG2 3.5Å; V370-T383 VanDerWaalsContact CG1-CG2 3.5Å; V370-L385 HydrophobicContact CB-CD2 4.49Å; V370-L385 HydrophobicContact CG1-CD2 4.33Å; V370-L385 HydrophobicContact CG2-CD2 3.98Å; V370-V409 CarbonylContact O-C 3.47Å; V370-V409 WeakPolarHBondContact O-CA 3.33Å; V370-A410 PolarHBondContact N-O 3.08Å; V370-A410 PolarHBondContact O-N 3.42Å; V370-F417 HydrophobicContact CG2-CD1 4.16Å; V370-F417 HydrophobicContact CG2-CE1 3.85Å |
| 371 | I | 84.4 | Confident | 74.8 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 114.6 | -176.1 | -55.6 | 154.2 | 0 | 0 | 0 | 109.4 | W354 I373 T383 I384 A386 I394 L407 Q408 V409 | W354-I371 HydrophobicContact CH2-CD1 3.54Å; W354-I371 HydrophobicContact CH2-CG1 4Å; W354-I371 HydrophobicContact CZ2-CD1 3.97Å; W354-I371 HydrophobicContact CZ2-CG1 4.27Å; I371-I373 HydrophobicContact CG2-CG1 4.42Å; I371-T383 WeakPolarHBondContact O-CA 3.3Å; I371-I384 HydrophobicContact CB-CB 4.21Å; I371-I384 WeakPolarHBondContact CB-O 3.02Å; I371-I384 HydrophobicContact CD1-CB 4.41Å; I371-I384 HydrophobicContact CD1-CG2 4.3Å; I371-I384 PolarHBondContact N-O 3.48Å; I371-I384 PolarHBondContact O-N 3.07Å; I371-A386 HydrophobicContact CD1-CB 3.93Å; I371-I394 HydrophobicContact CD1-CD1 3.71Å; I371-L407 HydrophobicContact CG2-CD1 3.33Å; I371-L407 HydrophobicContact CG2-CG 4.43Å; I371-Q408 CarbonylContact C-O 3.57Å; I371-Q408 VanDerWaalsContact CA-O 3.32Å; I371-Q408 WeakPolarHBondContact CA-O 3.34Å; I371-V409 HydrophobicContact CG1-CG1 4.12Å; I371-V409 HydrophobicContact CG1-CG2 4.18Å; I371-V409 HydrophobicContact CG2-CG2 4.29Å |
| 372 | N | 80.3 | Confident | 73.5 | Confident | 54 Ų | 54 | 53.9 Ų | 53.9 | 29% | 0.289 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 132.6 | 177 | -73.9 | -22.7 | 0 | 0 | 0 | 110.4 | T383 L407 Q408 | N372-T383 WeakPolarHBondContact OD1-CB 3.47Å; N372-T383 WeakPolarHBondContact OD1-CG2 3.21Å; N372-T383 PolarHBondContact OD1-OG1 2.89Å; N372-L407 CarbonylContact O-C 3.54Å; N372-L407 WeakPolarHBondContact O-CA 3.45Å; N372-Q408 HydrophobicContact CB-CB 4.36Å; N372-Q408 PolarHBondContact N-O 3.07Å; N372-Q408 PolarHBondContact O-N 2.95Å |
| 373 | I | 78.5 | Confident | 72.5 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 6% | 0.056 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 119.9 | 178.7 | -53.3 | 171.4 | 0 | 0 | 0 | 108.2 | I371 M381 I384 I396 Y405 T406 L407 | I371-I373 HydrophobicContact CG2-CG1 4.42Å; I373-M381 HydrophobicContact CB-CB 4.38Å; I373-M381 PolarHBondContact O-N 3.47Å; I373-I384 HydrophobicContact CD1-CD1 3.97Å; I373-I396 HydrophobicContact CD1-CB 4.47Å; I373-I396 HydrophobicContact CD1-CD1 3.83Å; I373-I396 HydrophobicContact CD1-CG1 4.09Å; I373-I396 HydrophobicContact CD1-CG2 3.55Å; I373-I396 HydrophobicContact CG1-CD1 4.47Å; I373-Y405 HydrophobicContact CG2-CD1 3.89Å; I373-T406 WeakPolarHBondContact CA-O 3.33Å; I373-L407 HydrophobicContact CD1-CD1 4.28Å; I373-L407 HydrophobicContact CG1-CD1 3.65Å |
| 374 | S | 74.8 | Confident | 71.8 | Confident | 36 Ų | 36 | 57.9 Ų | 57.9 | 25% | 0.252 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 149.7 | 178.8 | 58.8 | 0 | 0 | 0 | 0 | 111.7 | T406 | S374-T406 PolarHBondContact N-O 3.28Å; S374-T406 PolarHBondContact O-N 2.76Å |
| 375 | T | 70.9 | Confident | 70.8 | Confident | 19 Ų | 19 | 62.4 Ų | 62.4 | 12% | 0.117 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 166 | 170.1 | 63.5 | 0 | 0 | 0 | 0 | 110.3 | S377 S378 I403 Y405 | T375-S377 PolarHBondContact O-N 2.9Å; T375-S377 PolarHBondContact OG1-N 3.04Å; T375-S377 PolarHBondContact OG1-OG 2.86Å; T375-S378 PolarHBondContact O-N 2.78Å; T375-S378 VanDerWaalsContact O-N 3.09Å; T375-I403 HydrophobicContact CG2-CG2 3.74Å; T375-Y405 HydrophobicContact CG2-CD1 3.7Å; T375-Y405 HydrophobicContact CG2-CE1 3.55Å |
| 376 | L | 61.4 | Low | 69.7 | Low | 148 Ų | 148 | 60.5 Ų | 60.5 | 78% | 0.775 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -24.6 | 171.9 | -76.8 | 158.1 | 0 | 0 | 0 | 113.1 | S378 V404 | L376-S378 PolarHBondContact O-N 3.41Å; L376-V404 HydrophobicContact CD1-CB 4.44Å |
| 377 | S | 57.3 | Low | 68.7 | Low | 91 Ų | 91 | 62.2 Ų | 62.2 | 64% | 0.636 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | 12.5 | 175.1 | 57.3 | 0 | 0 | 0 | 0 | 114.2 | T375 V379 | T375-S377 PolarHBondContact O-N 2.9Å; T375-S377 PolarHBondContact OG1-N 3.04Å; T375-S377 PolarHBondContact OG1-OG 2.86Å; S377-V379 PolarHBondContact O-N 3.29Å; S377-V379 VanDerWaalsContact O-N 3.11Å |
| 378 | S | 56.6 | Low | 67.6 | Low | 100 Ų | 100 | 61.9 Ų | 61.9 | 70% | 0.699 | 37% | 0.367 | S | S | * | . | trans | 62.4 | 10.9 | 175.6 | -43.7 | 0 | 0 | 0 | 0 | 115.9 | T375 L376 V380 | T375-S378 PolarHBondContact O-N 2.78Å; T375-S378 VanDerWaalsContact O-N 3.09Å; L376-S378 PolarHBondContact O-N 3.41Å; S378-V380 PolarHBondContact O-N 3.24Å; S378-V380 VanDerWaalsContact O-N 3.1Å | ||
| 379 | V | 54.5 | Low | 66.2 | Low | 94 Ų | 94 | 69.8 Ų | 69.8 | 57% | 0.57 | 40% | 0.4 | S | S | * | . | trans | -74.4 | 103.5 | 171.3 | -176.3 | 0 | 0 | 0 | 0 | 107.7 | S377 M381 | S377-V379 PolarHBondContact O-N 3.29Å; S377-V379 VanDerWaalsContact O-N 3.11Å; V379-M381 PolarHBondContact O-N 3.31Å | ||
| 380 | V | 56.5 | Low | 64.7 | Low | 105 Ų | 105 | 74.5 Ų | 74.5 | 64% | 0.636 | 43% | 0.426 | S | S | * | . | B | Isolated β-bridge | trans | -79.5 | 117 | 177.6 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | S378 | S378-V380 PolarHBondContact O-N 3.24Å; S378-V380 VanDerWaalsContact O-N 3.1Å |
| 381 | M | 57 | Low | 63.7 | Low | 81 Ų | 81 | 79.7 Ų | 79.7 | 40% | 0.399 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -73 | 153.3 | 168.1 | -74 | -71.2 | -137 | 0 | 0 | 109.5 | I373 V379 T383 | I373-M381 HydrophobicContact CB-CB 4.38Å; I373-M381 PolarHBondContact O-N 3.47Å; V379-M381 PolarHBondContact O-N 3.31Å; M381-T383 PolarHBondContact O-N 3.43Å |
| 382 | P | 58.5 | Low | 62.5 | Low | 105 Ų | 105 | 80.8 Ų | 80.8 | 68% | 0.682 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 132.4 | 179.5 | 20.1 | -31.4 | 0 | 0 | 0 | 112 | I384 | P382-I384 PolarHBondContact O-N 3.43Š|
| 383 | T | 63.6 | Low | 62.1 | Low | 67 Ų | 67 | 82 Ų | 82 | 41% | 0.411 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 124.9 | 174.3 | -58.6 | 0 | 0 | 0 | 0 | 110.4 | V370 I371 N372 M381 L385 | V370-T383 HydrophobicContact CG1-CG2 3.5Å; V370-T383 VanDerWaalsContact CG1-CG2 3.5Å; I371-T383 WeakPolarHBondContact O-CA 3.3Å; N372-T383 WeakPolarHBondContact OD1-CB 3.47Å; N372-T383 WeakPolarHBondContact OD1-CG2 3.21Å; N372-T383 PolarHBondContact OD1-OG1 2.89Å; M381-T383 PolarHBondContact O-N 3.43Å; T383-L385 HydrophobicContact CG2-CD2 4.35Å |
| 384 | I | 67.3 | Low | 61.9 | Low | 65 Ų | 65 | 82.7 Ų | 82.7 | 33% | 0.333 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 119.6 | 176.3 | -56.1 | 172.5 | 0 | 0 | 0 | 107.6 | I371 I373 P382 | I371-I384 HydrophobicContact CB-CB 4.21Å; I371-I384 WeakPolarHBondContact CB-O 3.02Å; I371-I384 HydrophobicContact CD1-CB 4.41Å; I371-I384 HydrophobicContact CD1-CG2 4.3Å; I371-I384 PolarHBondContact N-O 3.48Å; I371-I384 PolarHBondContact O-N 3.07Å; I373-I384 HydrophobicContact CD1-CD1 3.97Å; P382-I384 PolarHBondContact O-N 3.43Å |
| 385 | L | 66 | Low | 62 | Low | 94 Ų | 94 | 85.7 Ų | 85.7 | 49% | 0.492 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 117 | 173.8 | -67.3 | 176.3 | 0 | 0 | 0 | 109 | M368 V370 T383 | M368-L385 HydrophobicContact CE-CB 3.82Å; M368-L385 HydrophobicContact CE-CD1 4.13Å; M368-L385 HydrophobicContact CE-CD2 4Å; M368-L385 HydrophobicContact CE-CG 4.2Å; M368-L385 HydrophobicContact SD-CD2 4.29Å; V370-L385 HydrophobicContact CB-CD2 4.49Å; V370-L385 HydrophobicContact CG1-CD2 4.33Å; V370-L385 HydrophobicContact CG2-CD2 3.98Å; T383-L385 HydrophobicContact CG2-CD2 4.35Å |
| 386 | A | 60.8 | Low | 62.3 | Low | 2 Ų | 2 | 85.3 Ų | 85.3 | 2% | 0.017 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 106.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110 | Y369 I371 I394 | Y369-A386 PolarHBondContact N-O 3.38Å; Y369-A386 PolarHBondContact O-N 2.8Å; I371-A386 HydrophobicContact CD1-CB 3.93Å; A386-I394 HydrophobicContact CB-CD1 3.56Å |
| 387 | N | 60.8 | Low | 63 | Low | 84 Ų | 84 | 82.3 Ų | 82.3 | 45% | 0.449 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 173.7 | -178.9 | -51.6 | 18.4 | 0 | 0 | 0 | 109.6 | M368 K389 N390 | M368-N387 WeakPolarHBondContact CE-OD1 3.34Å; N387-K389 PolarHBondContact O-N 3.25Å; N387-N390 PolarHBondContact O-N 3.08Å |
| 388 | S | 57.5 | Low | 63.7 | Low | 82 Ų | 82 | 84 Ų | 84 | 57% | 0.573 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -15.5 | 178.7 | 62.5 | 0 | 0 | 0 | 0 | 115.6 | ||
| 389 | K | 55.7 | Low | 64.5 | Low | 192 Ų | 192 | 79.6 Ų | 79.6 | 84% | 0.835 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -20 | 174.1 | -68.2 | -173.2 | 177.4 | -177.9 | 0 | 114.8 | N387 | N387-K389 PolarHBondContact O-N 3.25Š|
| 390 | N | 54.3 | Low | 65 | Low | 109 Ų | 109 | 80 Ų | 80 | 58% | 0.583 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -116.1 | 69.3 | -178.5 | -73.3 | -5.1 | 0 | 0 | 0 | 110.5 | N387 | N387-N390 PolarHBondContact O-N 3.08Š|
| 391 | I | 61.6 | Low | 65.3 | Low | 133 Ų | 133 | 77.9 Ų | 77.9 | 68% | 0.682 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 141 | -179.9 | -56.8 | 171.1 | 0 | 0 | 0 | 109.5 | ||
| 392 | P | 59.1 | Low | 65.5 | Low | 24 Ų | 24 | 82 Ų | 82 | 16% | 0.156 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -55 | 150.8 | 173.5 | 20 | -31.9 | 0 | 0 | 0 | 113 | W354 I394 | W354-P392 HydrophobicContact CD2-CB 4.37Å; W354-P392 HydrophobicContact CD2-CG 4.21Å; W354-P392 HydrophobicContact CE3-CB 4.41Å; W354-P392 HydrophobicContact CH2-CB 4.45Å; W354-P392 HydrophobicContact CZ2-CB 4.39Å; W354-P392 HydrophobicContact CZ2-CG 4.24Å; W354-P392 HydrophobicContact CZ3-CB 4.45Å; P392-I394 HydrophobicContact CB-CG1 4.34Å |
| 393 | P | 71.9 | Confident | 65.7 | Low | 80 Ų | 80 | 79.7 Ų | 79.7 | 52% | 0.519 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | cis | -79.8 | 134.1 | 16.8 | 30.4 | -34.4 | 0 | 0 | 0 | 113.7 | L343 V352 | L343-P393 HydrophobicContact CD1-CB 3.76Å; L343-P393 HydrophobicContact CD1-CG 4.35Å; V352-P393 CarbonylContact O-C 3.6Å; V352-P393 VanDerWaalsContact O-CA 3.26Å; V352-P393 WeakPolarHBondContact O-CA 3.29Å |
| 394 | I | 73.9 | Confident | 65.9 | Low | 26 Ų | 26 | 78.9 Ų | 78.9 | 13% | 0.133 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 128.4 | 175.5 | -56.4 | -162.7 | 0 | 0 | 0 | 108.5 | V352 W354 I371 A386 P392 | V352-I394 VanDerWaalsContact CG2-O 3.3Å; V352-I394 WeakPolarHBondContact CG2-O 3.36Å; V352-I394 PolarHBondContact N-O 3.28Å; V352-I394 PolarHBondContact O-N 3.26Å; W354-I394 HydrophobicContact CH2-CB 4.22Å; W354-I394 HydrophobicContact CH2-CD1 3.65Å; W354-I394 HydrophobicContact CH2-CG1 3.85Å; W354-I394 HydrophobicContact CZ2-CD1 4.07Å; W354-I394 HydrophobicContact CZ2-CG1 4.49Å; I371-I394 HydrophobicContact CD1-CD1 3.71Å; A386-I394 HydrophobicContact CB-CD1 3.56Å; P392-I394 HydrophobicContact CB-CG1 4.34Å |
| 395 | Q | 75.9 | Confident | 66.4 | Low | 99 Ų | 99 | 76.3 Ų | 76.3 | 46% | 0.463 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 117.3 | 175.2 | -174 | 172.5 | -8.2 | 0 | 0 | 109.9 | S349 N351 N397 | S349-Q395 PolarHBondContact OG-NE2 2.93Å; N351-Q395 WeakPolarHBondContact OD1-CA 3.45Å; N351-Q395 WeakPolarHBondContact OD1-CB 3.36Å; N351-Q395 WeakPolarHBondContact OD1-CG 3.45Å; Q395-N397 VanDerWaalsContact CD-OD1 3.28Å; Q395-N397 VanDerWaalsContact CG-OD1 3.24Å; Q395-N397 WeakPolarHBondContact CG-OD1 3.43Å; Q395-N397 PolarHBondContact NE2-OD1 3.16Å |
| 396 | I | 77.7 | Confident | 67 | Low | 10 Ų | 10 | 72.5 Ų | 72.5 | 5% | 0.051 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 112.3 | 173.2 | -59.4 | 170.6 | 0 | 0 | 0 | 107.4 | S349 V350 V352 I373 L399 L407 | S349-I396 WeakPolarHBondContact CA-O 3.42Å; S349-I396 WeakPolarHBondContact CB-O 3.45Å; V350-I396 PolarHBondContact N-O 2.93Å; V350-I396 VanDerWaalsContact N-O 3.08Å; V350-I396 PolarHBondContact O-N 3.26Å; V352-I396 HydrophobicContact CG2-CD1 3.71Å; V352-I396 HydrophobicContact CG2-CG1 4.12Å; I373-I396 HydrophobicContact CD1-CB 4.47Å; I373-I396 HydrophobicContact CD1-CD1 3.83Å; I373-I396 HydrophobicContact CD1-CG1 4.09Å; I373-I396 HydrophobicContact CD1-CG2 3.55Å; I373-I396 HydrophobicContact CG1-CD1 4.47Å; I396-L399 HydrophobicContact CB-CD1 4.42Å; I396-L399 HydrophobicContact CG2-CD1 4.01Å; I396-L399 HydrophobicContact CG2-CD2 3.79Å; I396-L399 HydrophobicContact CG2-CG 4.03Å; I396-L407 HydrophobicContact CD1-CD1 3.54Å; I396-L407 HydrophobicContact CD1-CD2 3.96Å; I396-L407 HydrophobicContact CD1-CG 4.37Å |
| 397 | N | 77.4 | Confident | 68 | Low | 86 Ų | 86 | 72.4 Ų | 72.4 | 46% | 0.46 | 38% | 0.383 | S | S | . | . | trans | -99.1 | 166.9 | -176.9 | -69.8 | -36 | 0 | 0 | 0 | 112.3 | S349 Q395 | S349-N397 WeakPolarHBondContact CB-OD1 3.43Å; Q395-N397 VanDerWaalsContact CD-OD1 3.28Å; Q395-N397 VanDerWaalsContact CG-OD1 3.24Å; Q395-N397 WeakPolarHBondContact CG-OD1 3.43Å; Q395-N397 PolarHBondContact NE2-OD1 3.16Å | ||
| 398 | N | 71.7 | Confident | 69.1 | Low | 127 Ų | 127 | 71.4 Ų | 71.4 | 68% | 0.679 | 38% | 0.376 | S | S | * | . | trans | 64.1 | 34.2 | 176.1 | -53.8 | -26.8 | 0 | 0 | 0 | 114.2 | Q348 | Q348-N398 PolarHBondContact O-N 2.79Š| ||
| 399 | L | 73.5 | Confident | 70.5 | Confident | 7 Ų | 7 | 67.5 Ų | 67.5 | 4% | 0.037 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -82.5 | 135.9 | 173.8 | -59.9 | 178.2 | 0 | 0 | 0 | 110.2 | Q348 V350 I396 Y405 | Q348-L399 VanDerWaalsContact CA-O 3.32Å; Q348-L399 WeakPolarHBondContact CA-O 3.48Å; Q348-L399 PolarHBondContact O-N 3.24Å; V350-L399 HydrophobicContact CB-CD1 4.15Å; V350-L399 HydrophobicContact CG2-CD1 3.99Å; I396-L399 HydrophobicContact CB-CD1 4.42Å; I396-L399 HydrophobicContact CG2-CD1 4.01Å; I396-L399 HydrophobicContact CG2-CD2 3.79Å; I396-L399 HydrophobicContact CG2-CG 4.03Å; L399-Y405 HydrophobicContact CB-CD2 4.47Å; L399-Y405 HydrophobicContact CB-CE2 3.88Å; L399-Y405 HydrophobicContact CD2-CD1 3.91Å; L399-Y405 HydrophobicContact CD2-CD2 3.92Å; L399-Y405 HydrophobicContact CD2-CE1 3.75Å; L399-Y405 HydrophobicContact CD2-CE2 3.76Å; L399-Y405 HydrophobicContact CD2-CG 3.99Å; L399-Y405 HydrophobicContact CG-CE2 4.33Å |
| 400 | I | 63.6 | Low | 72.1 | Confident | 101 Ų | 101 | 58.7 Ų | 58.7 | 52% | 0.518 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -87.7 | 128.1 | 179.8 | -57.3 | 173.2 | 0 | 0 | 0 | 108.3 | I403 Y405 | I400-I403 HydrophobicContact CB-CD1 3.73Å; I400-I403 HydrophobicContact CB-CG1 4.11Å; I400-I403 HydrophobicContact CD1-CD1 4.06Å; I400-I403 HydrophobicContact CG1-CD1 4.43Å; I400-I403 HydrophobicContact CG2-CD1 3.94Å; I400-I403 HydrophobicContact CG2-CG1 4.17Å; I400-I403 PolarHBondContact O-N 3.18Å; I400-Y405 PolarHBondContact N-OH 3.09Å |
| 401 | P | 64 | Low | 73.7 | Confident | 62 Ų | 62 | 53.6 Ų | 53.6 | 40% | 0.403 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 148.6 | 174 | -21.1 | 25.5 | 0 | 0 | 0 | 112.8 | N347 I403 | N347-P401 WeakPolarHBondContact O-CG 3.39Å; P401-I403 PolarHBondContact O-N 2.92Å; P401-I403 VanDerWaalsContact O-N 3.13Å |
| 402 | Q | 61.2 | Low | 74.9 | Confident | 166 Ų | 166 | 49.3 Ų | 49.3 | 78% | 0.776 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 4.2 | 179.8 | -55.4 | -180 | -31.4 | 0 | 0 | 116 | ||
| 403 | I | 62.6 | Low | 76.2 | Confident | 58 Ų | 58 | 48.1 Ų | 48.1 | 30% | 0.297 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -92.2 | 133.3 | 166.8 | -57.7 | -168.7 | 0 | 0 | 0 | 109.4 | T375 I400 P401 Y405 | T375-I403 HydrophobicContact CG2-CG2 3.74Å; I400-I403 HydrophobicContact CB-CD1 3.73Å; I400-I403 HydrophobicContact CB-CG1 4.11Å; I400-I403 HydrophobicContact CD1-CD1 4.06Å; I400-I403 HydrophobicContact CG1-CD1 4.43Å; I400-I403 HydrophobicContact CG2-CD1 3.94Å; I400-I403 HydrophobicContact CG2-CG1 4.17Å; I400-I403 PolarHBondContact O-N 3.18Å; P401-I403 PolarHBondContact O-N 2.92Å; P401-I403 VanDerWaalsContact O-N 3.13Å; I403-Y405 HydrophobicContact CB-CD2 4.4Å; I403-Y405 HydrophobicContact CB-CE2 3.74Å; I403-Y405 HydrophobicContact CG2-CD2 4.22Å; I403-Y405 HydrophobicContact CG2-CE1 4.3Å; I403-Y405 HydrophobicContact CG2-CE2 3.81Å; I403-Y405 WeakPolarHBondContact O-CD2 3.36Å |
| 404 | V | 67.3 | Low | 76.8 | Confident | 50 Ų | 50 | 48.2 Ų | 48.2 | 30% | 0.303 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 118.2 | 171.4 | -173.7 | 0 | 0 | 0 | 0 | 109 | L376 F424 I425 | L376-V404 HydrophobicContact CD1-CB 4.44Å; V404-F424 HydrophobicContact CG1-CB 4.42Å; V404-I425 WeakPolarHBondContact CA-O 3.34Å |
| 405 | Y | 78 | Confident | 77.3 | Confident | 10 Ų | 10 | 50.5 Ų | 50.5 | 4% | 0.039 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 140.4 | 175.5 | -66.6 | -89.3 | 0 | 0 | 0 | 110.3 | I373 T375 L399 I400 I403 F424 I425 | I373-Y405 HydrophobicContact CG2-CD1 3.89Å; T375-Y405 HydrophobicContact CG2-CD1 3.7Å; T375-Y405 HydrophobicContact CG2-CE1 3.55Å; L399-Y405 HydrophobicContact CB-CD2 4.47Å; L399-Y405 HydrophobicContact CB-CE2 3.88Å; L399-Y405 HydrophobicContact CD2-CD1 3.91Å; L399-Y405 HydrophobicContact CD2-CD2 3.92Å; L399-Y405 HydrophobicContact CD2-CE1 3.75Å; L399-Y405 HydrophobicContact CD2-CE2 3.76Å; L399-Y405 HydrophobicContact CD2-CG 3.99Å; L399-Y405 HydrophobicContact CG-CE2 4.33Å; I400-Y405 PolarHBondContact N-OH 3.09Å; I403-Y405 HydrophobicContact CB-CD2 4.4Å; I403-Y405 HydrophobicContact CB-CE2 3.74Å; I403-Y405 HydrophobicContact CG2-CD2 4.22Å; I403-Y405 HydrophobicContact CG2-CE1 4.3Å; I403-Y405 HydrophobicContact CG2-CE2 3.81Å; I403-Y405 WeakPolarHBondContact O-CD2 3.36Å; Y405-F424 CarbonylContact O-C 3.49Å; Y405-F424 WeakPolarHBondContact O-CA 3.46Å; Y405-I425 PolarHBondContact N-O 3.09Å; Y405-I425 PolarHBondContact O-N 2.94Å |
| 406 | T | 78.1 | Confident | 77.8 | Confident | 14 Ų | 14 | 46.4 Ų | 46.4 | 9% | 0.086 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 117.8 | 169.8 | -54.9 | 0 | 0 | 0 | 0 | 108.5 | I373 S374 Q408 Q422 F424 | I373-T406 WeakPolarHBondContact CA-O 3.33Å; S374-T406 PolarHBondContact N-O 3.28Å; S374-T406 PolarHBondContact O-N 2.76Å; T406-Q408 HydrophobicContact CG2-CG 4.44Å; T406-Q422 HydrophobicContact CG2-CG 3.57Å; T406-F424 HydrophobicContact CG2-CD1 4.17Å; T406-F424 HydrophobicContact CG2-CE1 3.86Å; T406-F424 WeakPolarHBondContact OG1-CD1 3.4Å; T406-F424 VanDerWaalsContact OG1-CE1 3.25Å; T406-F424 WeakPolarHBondContact OG1-CE1 3.44Å |
| 407 | L | 83.1 | Confident | 78.1 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 125.9 | 176.7 | 179.8 | 70 | 0 | 0 | 0 | 109.4 | L340 V352 I371 N372 I373 I396 V409 Q422 L423 I425 | L340-L407 HydrophobicContact CD1-CD2 4.05Å; V352-L407 HydrophobicContact CB-CD2 3.99Å; V352-L407 HydrophobicContact CG1-CD2 3.71Å; V352-L407 HydrophobicContact CG2-CD2 3.84Å; I371-L407 HydrophobicContact CG2-CD1 3.33Å; I371-L407 HydrophobicContact CG2-CG 4.43Å; N372-L407 CarbonylContact O-C 3.54Å; N372-L407 WeakPolarHBondContact O-CA 3.45Å; I373-L407 HydrophobicContact CD1-CD1 4.28Å; I373-L407 HydrophobicContact CG1-CD1 3.65Å; I396-L407 HydrophobicContact CD1-CD1 3.54Å; I396-L407 HydrophobicContact CD1-CD2 3.96Å; I396-L407 HydrophobicContact CD1-CG 4.37Å; L407-V409 HydrophobicContact CD2-CG2 4.47Å; L407-V409 HydrophobicContact CG-CG2 4.24Å; L407-Q422 CarbonylContact O-C 3.6Å; L407-Q422 WeakPolarHBondContact O-CA 3.5Å; L407-L423 HydrophobicContact CB-CB 4.39Å; L407-L423 PolarHBondContact N-O 2.88Å; L407-L423 PolarHBondContact O-N 3.27Å; L407-I425 HydrophobicContact CB-CD1 4.42Å; L407-I425 HydrophobicContact CD2-CD1 4.34Å |
| 408 | Q | 83.8 | Confident | 78.6 | Confident | 62 Ų | 62 | 48.5 Ų | 48.5 | 29% | 0.29 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 128.5 | 175.1 | -72.3 | -179.6 | -25.3 | 0 | 0 | 111.1 | I371 N372 T406 S421 Q422 | I371-Q408 CarbonylContact C-O 3.57Å; I371-Q408 VanDerWaalsContact CA-O 3.32Å; I371-Q408 WeakPolarHBondContact CA-O 3.34Å; N372-Q408 HydrophobicContact CB-CB 4.36Å; N372-Q408 PolarHBondContact N-O 3.07Å; N372-Q408 PolarHBondContact O-N 2.95Å; T406-Q408 HydrophobicContact CG2-CG 4.44Å; Q408-S421 CarbonylContact C-O 3.55Å; Q408-S421 VanDerWaalsContact CA-O 3.23Å; Q408-S421 WeakPolarHBondContact CA-O 3.02Å; Q408-Q422 HydrophobicContact CG-CB 4.16Å; Q408-Q422 HydrophobicContact CG-CG 3.95Å |
| 409 | V | 87.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 122.7 | -177.3 | -171.8 | 0 | 0 | 0 | 0 | 111.2 | P337 L340 W354 Y369 V370 I371 L407 S420 S421 | P337-V409 HydrophobicContact CB-CG1 4.5Å; P337-V409 VanDerWaalsContact CD-O 3.27Å; P337-V409 WeakPolarHBondContact CD-O 3.3Å; P337-V409 HydrophobicContact CG-CG1 4.13Å; P337-V409 WeakPolarHBondContact CG-O 3.44Å; L340-V409 HydrophobicContact CD1-CG2 3.78Å; L340-V409 HydrophobicContact CD2-CG2 4.05Å; W354-V409 HydrophobicContact CD2-CG1 3.98Å; W354-V409 HydrophobicContact CD2-CG2 4.43Å; W354-V409 HydrophobicContact CE3-CG1 4.49Å; W354-V409 HydrophobicContact CE3-CG2 4.18Å; W354-V409 HydrophobicContact CG-CG1 4.4Å; W354-V409 HydrophobicContact CH2-CG1 4.37Å; W354-V409 HydrophobicContact CH2-CG2 4.46Å; W354-V409 HydrophobicContact CZ2-CG1 3.86Å; W354-V409 HydrophobicContact CZ3-CG2 4.19Å; Y369-V409 HydrophobicContact CD1-CG1 4.1Å; V370-V409 CarbonylContact O-C 3.47Å; V370-V409 WeakPolarHBondContact O-CA 3.33Å; I371-V409 HydrophobicContact CG1-CG1 4.12Å; I371-V409 HydrophobicContact CG1-CG2 4.18Å; I371-V409 HydrophobicContact CG2-CG2 4.29Å; L407-V409 HydrophobicContact CD2-CG2 4.47Å; L407-V409 HydrophobicContact CG-CG2 4.24Å; V409-S420 CarbonylContact O-C 3.48Å; V409-S420 VanDerWaalsContact O-CA 3.22Å; V409-S420 WeakPolarHBondContact O-CA 3.49Å; V409-S421 PolarHBondContact N-O 2.99Å; V409-S421 PolarHBondContact O-N 3.3Å |
| 410 | A | 87.5 | Confident | 79.8 | Confident | 8 Ų | 8 | 47.8 Ų | 47.8 | 7% | 0.066 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 149 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y369 V370 S420 | Y369-A410 WeakPolarHBondContact CA-O 3.26Å; V370-A410 PolarHBondContact N-O 3.08Å; V370-A410 PolarHBondContact O-N 3.42Å; A410-S420 WeakPolarHBondContact CB-OG 3.31Å |
| 411 | Y | 88.9 | Confident | 80.8 | Confident | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 127.6 | 173.4 | -175.6 | -81.4 | 0 | 0 | 0 | 110.6 | P333 P357 R362 G364 L366 Y369 N413 G418 | P333-Y411 HydrophobicContact CB-CD1 3.98Å; P333-Y411 HydrophobicContact CG-CD1 3.83Å; P333-Y411 HydrophobicContact CG-CE1 4.32Å; P357-Y411 HydrophobicContact CG-CD2 3.81Å; P357-Y411 HydrophobicContact CG-CG 3.8Å; R362-Y411 HydrophobicContact CB-CE1 4.03Å; R362-Y411 WeakPolarHBondContact CD-OH 3.48Å; R362-Y411 HydrophobicContact CG-CE1 4.27Å; R362-Y411 HydrophobicContact CG-CE2 4.35Å; G364-Y411 PolarHBondContact O-OH 3.32Å; L366-Y411 WeakPolarHBondContact CA-OH 3.45Å; L366-Y411 HydrophobicContact CB-CE2 3.67Å; L366-Y411 WeakPolarHBondContact CB-OH 3.49Å; L366-Y411 HydrophobicContact CD1-CD1 4.49Å; L366-Y411 HydrophobicContact CD1-CD2 3.5Å; L366-Y411 HydrophobicContact CD1-CE1 4.39Å; L366-Y411 HydrophobicContact CD1-CE2 3.38Å; L366-Y411 HydrophobicContact CD1-CG 4.09Å; L366-Y411 HydrophobicContact CG-CE2 4Å; L366-Y411 PolarHBondContact N-OH 2.9Å; Y369-Y411 AromaticContact CE1-CD2 3.74Å; Y369-Y411 HydrophobicContact CE1-CD2 3.74Å; Y369-Y411 HydrophobicContact CE1-CG 4.44Å; Y369-Y411 AromaticContact CZ-CD2 3.89Å; Y411-N413 HydrophobicContact CE1-CB 4.09Å; Y411-G418 PolarHBondContact O-N 2.87Å |
| 412 | K | 86.2 | Confident | 81.5 | Confident | 43 Ų | 43 | 45.7 Ų | 45.7 | 19% | 0.187 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 132.4 | 175.8 | -169.3 | -163.7 | -177 | -149.8 | 0 | 110.7 | E367 M368 F417 | E367-K412 WeakPolarHBondContact CB-O 3.44Å; E367-K412 PolarHBondContact N-O 2.78Å; E367-K412 IonicContact OE1-NZ 2.71Å; E367-K412 PolarHBondContact OE1-NZ 3.22Å; E367-K412 VanDerWaalsContact OE2-CD 3.25Å; E367-K412 WeakPolarHBondContact OE2-CD 3.24Å; E367-K412 WeakPolarHBondContact OE2-CE 3.24Å; E367-K412 IonicContact OE2-NZ 3.48Å; E367-K412 PolarHBondContact OE2-NZ 3Å; M368-K412 HydrophobicContact CG-CB 4.14Å; M368-K412 HydrophobicContact CG-CD 3.92Å; M368-K412 PolarHBondContact N-O 3.11Å; M368-K412 WeakPolarHBondContact O-CB 3.43Å; M368-K412 PolarHBondContact O-N 2.87Å; M368-K412 HydrophobicContact SD-CD 4.15Å; K412-F417 HydrophobicContact CB-CD1 3.71Å; K412-F417 HydrophobicContact CB-CE1 4Å; K412-F417 HydrophobicContact CD-CD1 3.91Å; K412-F417 HydrophobicContact CD-CE1 3.36Å; K412-F417 HydrophobicContact CD-CZ 3.75Å; K412-F417 HydrophobicContact CG-CD1 3.52Å; K412-F417 HydrophobicContact CG-CE1 3.55Å; K412-F417 HydrophobicContact CG-CG 4.1Å; K412-F417 HydrophobicContact CG-CZ 4.15Å |
| 413 | N | 87.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -114.2 | 175.4 | 170.4 | 81.2 | 9 | 0 | 0 | 0 | 110.5 | E331 P333 R362 G364 P365 Y411 V415 G416 | E331-N413 PolarHBondContact O-ND2 3.47Å; P333-N413 VanDerWaalsContact CD-ND2 3.34Å; P333-N413 WeakPolarHBondContact CD-ND2 3.2Å; P333-N413 HydrophobicContact CG-CB 3.95Å; P333-N413 WeakPolarHBondContact CG-ND2 2.88Å; R362-N413 PolarHBondContact O-ND2 3.45Å; G364-N413 PolarHBondContact N-ND2 3.08Å; P365-N413 WeakPolarHBondContact O-CA 2.88Å; P365-N413 VanDerWaalsContact O-CB 3.24Å; P365-N413 WeakPolarHBondContact O-CB 3.39Å; Y411-N413 HydrophobicContact CE1-CB 4.09Å; N413-V415 PolarHBondContact O-N 3.19Å; N413-V415 WeakPolarHBondContact OD1-CA 3.41Å; N413-V415 WeakPolarHBondContact OD1-CB 3.29Å; N413-V415 PolarHBondContact OD1-N 3.26Å; N413-G416 PolarHBondContact N-O 3.29Å; N413-G416 PolarHBondContact O-N 2.9Å; N413-G416 PolarHBondContact OD1-N 3.2Å; N413-G416 PolarHBondContact OD1-O 3.3Å | ||
| 414 | P | 84.4 | Confident | 82.8 | Confident | 81 Ų | 81 | 43 Ų | 43 | 53% | 0.526 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -58.6 | -19 | -179.3 | -26.8 | 35 | 0 | 0 | 0 | 115.9 | P365 | P365-P414 HydrophobicContact CG-CG 4.15Å; P365-P414 WeakPolarHBondContact O-CD 3.38Å |
| 415 | V | 84.2 | Confident | 82.9 | Confident | 74 Ų | 74 | 40.9 Ų | 40.9 | 45% | 0.448 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -89.4 | -38.9 | 179.4 | -169.9 | 0 | 0 | 0 | 0 | 110.8 | F330 N332 N413 | F330-V415 HydrophobicContact CB-CG2 3.84Å; N332-V415 VanDerWaalsContact OD1-C 3.24Å; N332-V415 WeakPolarHBondContact OD1-CG1 3.46Å; N332-V415 PolarHBondContact OD1-O 2.81Å; N413-V415 PolarHBondContact O-N 3.19Å; N413-V415 WeakPolarHBondContact OD1-CA 3.41Å; N413-V415 WeakPolarHBondContact OD1-CB 3.29Å; N413-V415 PolarHBondContact OD1-N 3.26Å |
| 416 | G | 85.4 | Confident | 82.1 | Confident | 14 Ų | 14 | 42.7 Ų | 42.7 | 14% | 0.144 | 24% | 0.237 | C | C | . | . | trans | 171.8 | -165.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | N332 P333 N413 | N332-G416 VanDerWaalsContact OD1-CA 3.28Å; N332-G416 WeakPolarHBondContact OD1-CA 3.33Å; N332-G416 PolarHBondContact OD1-N 2.76Å; P333-G416 WeakPolarHBondContact CD-O 3.29Å; N413-G416 PolarHBondContact N-O 3.29Å; N413-G416 PolarHBondContact O-N 2.9Å; N413-G416 PolarHBondContact OD1-N 3.2Å; N413-G416 PolarHBondContact OD1-O 3.3Å | ||
| 417 | F | 86 | Confident | 81 | Confident | 127 Ų | 127 | 43.2 Ų | 43.2 | 56% | 0.557 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 142.2 | -177.1 | -54.3 | -92.7 | 0 | 0 | 0 | 111.7 | V370 K412 | V370-F417 HydrophobicContact CG2-CD1 4.16Å; V370-F417 HydrophobicContact CG2-CE1 3.85Å; K412-F417 HydrophobicContact CB-CD1 3.71Å; K412-F417 HydrophobicContact CB-CE1 4Å; K412-F417 HydrophobicContact CD-CD1 3.91Å; K412-F417 HydrophobicContact CD-CE1 3.36Å; K412-F417 HydrophobicContact CD-CZ 3.75Å; K412-F417 HydrophobicContact CG-CD1 3.52Å; K412-F417 HydrophobicContact CG-CE1 3.55Å; K412-F417 HydrophobicContact CG-CG 4.1Å; K412-F417 HydrophobicContact CG-CZ 4.15Å |
| 418 | G | 86.6 | Confident | 79.3 | Confident | 12 Ų | 12 | 48.7 Ų | 48.7 | 12% | 0.124 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 176.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | P333 Y411 | P333-G418 WeakPolarHBondContact O-CA 3.34Å; Y411-G418 PolarHBondContact O-N 2.87Å |
| 419 | P | 84.9 | Confident | 77.3 | Confident | 62 Ų | 62 | 57.7 Ų | 57.7 | 40% | 0.403 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 153.3 | 175.8 | 24.1 | -30.4 | 0 | 0 | 0 | 112.5 | P336 | P336-P419 VanDerWaalsContact CA-O 3.29Å; P336-P419 WeakPolarHBondContact CA-O 3.27Å; P336-P419 HydrophobicContact CB-CB 4.32Å; P336-P419 HydrophobicContact CB-CG 4.15Å; P336-P419 VanDerWaalsContact CB-O 3.31Å; P336-P419 WeakPolarHBondContact CB-O 3.48Å; P336-P419 HydrophobicContact CG-CG 4.48Å |
| 420 | S | 86.4 | Confident | 75.2 | Confident | 57 Ų | 57 | 63.4 Ų | 63.4 | 40% | 0.399 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 143.4 | -179.4 | -60.7 | 0 | 0 | 0 | 0 | 112.6 | V409 A410 | V409-S420 CarbonylContact O-C 3.48Å; V409-S420 VanDerWaalsContact O-CA 3.22Å; V409-S420 WeakPolarHBondContact O-CA 3.49Å; A410-S420 WeakPolarHBondContact CB-OG 3.31Å |
| 421 | S | 84.1 | Confident | 73.1 | Confident | 23 Ų | 23 | 70.1 Ų | 70.1 | 16% | 0.161 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 140.6 | 164.5 | -82.9 | 0 | 0 | 0 | 0 | 111.1 | P337 L340 Q408 V409 | P337-S421 VanDerWaalsContact O-CB 3.27Å; P337-S421 WeakPolarHBondContact O-CB 3.44Å; P337-S421 PolarHBondContact O-OG 3.46Å; L340-S421 VanDerWaalsContact CD2-O 3.26Å; L340-S421 WeakPolarHBondContact CD2-O 3.1Å; Q408-S421 CarbonylContact C-O 3.55Å; Q408-S421 VanDerWaalsContact CA-O 3.23Å; Q408-S421 WeakPolarHBondContact CA-O 3.02Å; V409-S421 PolarHBondContact N-O 2.99Å; V409-S421 PolarHBondContact O-N 3.3Å |
| 422 | Q | 78 | Confident | 71 | Confident | 97 Ų | 97 | 73.3 Ų | 73.3 | 45% | 0.453 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 135.2 | -172.4 | -172.6 | 169.2 | -32.5 | 0 | 0 | 112.6 | T406 L407 Q408 | T406-Q422 HydrophobicContact CG2-CG 3.57Å; L407-Q422 CarbonylContact O-C 3.6Å; L407-Q422 WeakPolarHBondContact O-CA 3.5Å; Q408-Q422 HydrophobicContact CG-CB 4.16Å; Q408-Q422 HydrophobicContact CG-CG 3.95Å |
| 423 | L | 79 | Confident | 70.2 | Confident | 35 Ų | 35 | 74.1 Ų | 74.1 | 18% | 0.183 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 130.5 | 176.3 | -179.9 | 68.6 | 0 | 0 | 0 | 110.5 | L340 Q342 V352 L407 I425 | L340-L423 HydrophobicContact CD2-CB 3.71Å; L340-L423 HydrophobicContact CG-CB 3.88Å; L340-L423 HydrophobicContact CG-CD2 4.4Å; Q342-L423 HydrophobicContact CB-CD2 4.26Å; V352-L423 HydrophobicContact CG1-CD2 4.01Å; L407-L423 HydrophobicContact CB-CB 4.39Å; L407-L423 PolarHBondContact N-O 2.88Å; L407-L423 PolarHBondContact O-N 3.27Å; L423-I425 HydrophobicContact CD2-CD1 4.18Å; L423-I425 HydrophobicContact CD2-CG1 4Å; L423-I425 HydrophobicContact CG-CG1 4.07Å |
| 424 | F | 73.1 | Confident | 69.6 | Low | 133 Ų | 133 | 77.8 Ų | 77.8 | 58% | 0.583 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 125.3 | 171.7 | -60.2 | -79 | 0 | 0 | 0 | 109.8 | V404 Y405 T406 | V404-F424 HydrophobicContact CG1-CB 4.42Å; Y405-F424 CarbonylContact O-C 3.49Å; Y405-F424 WeakPolarHBondContact O-CA 3.46Å; T406-F424 HydrophobicContact CG2-CD1 4.17Å; T406-F424 HydrophobicContact CG2-CE1 3.86Å; T406-F424 WeakPolarHBondContact OG1-CD1 3.4Å; T406-F424 VanDerWaalsContact OG1-CE1 3.25Å; T406-F424 WeakPolarHBondContact OG1-CE1 3.44Å |
| 425 | I | 68 | Low | 69.3 | Low | 4 Ų | 4 | 74.1 Ų | 74.1 | 2% | 0.021 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 120.4 | -178.4 | -62.5 | 168.8 | 0 | 0 | 0 | 107.7 | V350 V352 V404 Y405 L407 L423 | V350-I425 HydrophobicContact CB-CD1 4.4Å; V350-I425 HydrophobicContact CB-CG2 4.22Å; V350-I425 HydrophobicContact CG1-CD1 4.01Å; V350-I425 HydrophobicContact CG1-CG2 4.21Å; V350-I425 HydrophobicContact CG2-CG2 3.6Å; V352-I425 HydrophobicContact CG1-CD1 3.93Å; V404-I425 WeakPolarHBondContact CA-O 3.34Å; Y405-I425 PolarHBondContact N-O 3.09Å; Y405-I425 PolarHBondContact O-N 2.94Å; L407-I425 HydrophobicContact CB-CD1 4.42Å; L407-I425 HydrophobicContact CD2-CD1 4.34Å; L423-I425 HydrophobicContact CD2-CD1 4.18Å; L423-I425 HydrophobicContact CD2-CG1 4Å; L423-I425 HydrophobicContact CG-CG1 4.07Å |
| 426 | S | 62.7 | Low | 69.1 | Low | 49 Ų | 49 | 72 Ų | 72 | 34% | 0.343 | 39% | 0.389 | S | S | . | . | trans | -135.2 | 128 | 175.3 | -177.3 | 0 | 0 | 0 | 0 | 109 | N428 | S426-N428 PolarHBondContact O-N 2.76Š| ||
| 427 | L | 54.4 | Low | 68.9 | Low | 25 Ų | 25 | 75.1 Ų | 75.1 | 13% | 0.131 | 41% | 0.409 | C | S | . | . | trans | -84.5 | 87.7 | -173.1 | -67.9 | 161.2 | 0 | 0 | 0 | 110.8 | Q345 S346 V350 | Q345-L427 HydrophobicContact CB-CD2 3.82Å; S346-L427 WeakPolarHBondContact O-CD2 3.18Å; V350-L427 HydrophobicContact CG2-CD2 4.16Å | ||
| 428 | N | 48.1 | Very low | 68.8 | Low | 115 Ų | 115 | 70 Ų | 70 | 62% | 0.615 | 39% | 0.387 | S | S | * | . | trans | -143.4 | 159.3 | 175.6 | -81.2 | -28.9 | 0 | 0 | 0 | 113 | Q345 S426 | Q345-N428 PolarHBondContact NE2-O 3.46Å; S426-N428 PolarHBondContact O-N 2.76Å | ||
| 429 | R | 40.2 | Very low | 68.7 | Low | 252 Ų | 252 | 72 Ų | 72 | 95% | 0.951 | 40% | 0.399 | S | S | * | . | trans | -81.8 | 161.8 | -165.7 | -87 | -177.5 | 172.1 | -173.6 | -2.2 | 117.6 | ||||
| 430 | S | 44.4 | Very low | 68.6 | Low | 120 Ų | 120 | 71.6 Ų | 71.6 | 84% | 0.839 | 40% | 0.395 | S | S | * | . | trans | -91 | 164.7 | -153.8 | 50 | 0 | 0 | 0 | 0 | 123 | ||||
| 431 | V | 43 | Very low | 68.1 | Low | 149 Ų | 149 | 74.1 Ų | 74.1 | 90% | 0.903 | 40% | 0.401 | S | S | * | . | trans | -141 | 160.9 | -174.3 | -174.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 432 | S | 45.1 | Very low | 67.6 | Low | 67 Ų | 67 | 78.1 Ų | 78.1 | 47% | 0.469 | 41% | 0.413 | S | S | . | . | trans | -144.9 | 83.6 | -153.1 | 170.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 433 | N | 68.3 | Low | 67.4 | Low | 60 Ų | 60 | 74.9 Ų | 74.9 | 32% | 0.321 | 40% | 0.401 | S | S | . | . | trans | -116.6 | 17.8 | 177.4 | -72.3 | -3.4 | 0 | 0 | 0 | 117 | A516 | N433-A516 VanDerWaalsContact O-CB 3.28Å; N433-A516 WeakPolarHBondContact O-CB 3.45Å | ||
| 434 | Q | 74.9 | Confident | 67.2 | Low | 78 Ų | 78 | 74.1 Ų | 74.1 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -98.4 | 152.1 | -171.3 | 59 | -164 | 33.5 | 0 | 0 | 113.6 | T436 N517 | Q434-T436 WeakPolarHBondContact O-CG2 3.39Å; Q434-T436 PolarHBondContact O-N 2.9Å; Q434-N517 WeakPolarHBondContact CB-O 3.4Å |
| 435 | P | 78.1 | Confident | 67.1 | Low | 3 Ų | 3 | 70.5 Ų | 70.5 | 2% | 0.019 | 39% | 0.387 | C | S | . | . | trans | -56.3 | 131 | 165.5 | -18.2 | 30.2 | 0 | 0 | 0 | 109.4 | P455 Y467 | P435-P455 HydrophobicContact CG-CG 4.41Å; P435-Y467 HydrophobicContact CG-CE1 4.43Å | ||
| 436 | T | 79.9 | Confident | 67.7 | Low | 29 Ų | 29 | 74.6 Ų | 74.6 | 18% | 0.178 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 158.2 | -171.8 | 58.5 | 0 | 0 | 0 | 0 | 111.2 | Q434 L438 L453 | Q434-T436 WeakPolarHBondContact O-CG2 3.39Å; Q434-T436 PolarHBondContact O-N 2.9Å; T436-L438 VanDerWaalsContact C-N 3.3Å; T436-L438 PolarHBondContact O-N 2.82Å; T436-L453 PolarHBondContact N-O 3.03Å; T436-L453 VanDerWaalsContact N-O 3.09Å; T436-L453 WeakPolarHBondContact O-CA 3.46Å; T436-L453 WeakPolarHBondContact O-CB 3.31Å; T436-L453 PolarHBondContact O-N 3.14Å |
| 437 | S | 82.4 | Confident | 68.5 | Low | 81 Ų | 81 | 74 Ų | 74 | 57% | 0.566 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 58.7 | 34.5 | 173.2 | -45.2 | 0 | 0 | 0 | 0 | 115.1 | S439 | S437-S439 PolarHBondContact O-N 3.28Å; S437-S439 PolarHBondContact O-OG 2.9Å |
| 438 | L | 83.8 | Confident | 69.9 | Low | 20 Ų | 20 | 72.8 Ų | 72.8 | 11% | 0.105 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 123.6 | 169.7 | 177.2 | 59.9 | 0 | 0 | 0 | 109.4 | T436 T451 W452 V507 S518 I521 | T436-L438 VanDerWaalsContact C-N 3.3Å; T436-L438 PolarHBondContact O-N 2.82Å; L438-T451 CarbonylContact C-O 3.57Å; L438-T451 WeakPolarHBondContact CA-O 3.25Å; L438-W452 HydrophobicContact CB-CB 4.3Å; L438-W452 HydrophobicContact CD1-CB 4.08Å; L438-W452 HydrophobicContact CD1-CE3 4Å; L438-V507 HydrophobicContact CD1-CB 4.38Å; L438-V507 HydrophobicContact CD1-CG2 3.45Å; L438-V507 VanDerWaalsContact CD1-CG2 3.45Å; L438-V507 HydrophobicContact CD2-CB 4.25Å; L438-V507 HydrophobicContact CD2-CG2 3.83Å; L438-V507 HydrophobicContact CG-CG2 4.26Å; L438-S518 VanDerWaalsContact CD2-OG 3.3Å; L438-S518 WeakPolarHBondContact CD2-OG 3.34Å; L438-I521 HydrophobicContact CB-CG2 4.38Å; L438-I521 HydrophobicContact CD1-CD1 4.27Å; L438-I521 HydrophobicContact CD2-CD1 4.24Å; L438-I521 HydrophobicContact CD2-CG1 3.88Å; L438-I521 HydrophobicContact CD2-CG2 4.24Å; L438-I521 HydrophobicContact CG-CD1 3.79Å; L438-I521 HydrophobicContact CG-CG1 3.94Å; L438-I521 HydrophobicContact CG-CG2 4.08Å; L438-I521 WeakPolarHBondContact O-CG2 3.27Å |
| 439 | S | 83.2 | Confident | 71.8 | Confident | 54 Ų | 54 | 71.3 Ų | 71.3 | 38% | 0.378 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 167.6 | -174.7 | 53.2 | 0 | 0 | 0 | 0 | 111.2 | S437 L450 T451 | S437-S439 PolarHBondContact O-N 3.28Å; S437-S439 PolarHBondContact O-OG 2.9Å; S439-L450 WeakPolarHBondContact O-CA 3.31Å; S439-T451 PolarHBondContact N-O 2.86Å; S439-T451 PolarHBondContact O-N 2.91Å; S439-T451 PolarHBondContact OG-O 3.43Å; S439-T451 PolarHBondContact OG-OG1 3.19Å |
| 440 | V | 82.8 | Confident | 74.2 | Confident | 52 Ų | 52 | 59.3 Ų | 59.3 | 32% | 0.315 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 123.2 | 176.4 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | C443 L450 I521 F523 | V440-C443 VanDerWaalsContact CG1-SG 3.56Å; V440-L450 HydrophobicContact CB-CD2 4.19Å; V440-L450 HydrophobicContact CG1-CD2 4.4Å; V440-L450 HydrophobicContact CG2-CD2 3.45Å; V440-L450 VanDerWaalsContact CG2-CD2 3.45Å; V440-I521 HydrophobicContact CG2-CD1 3.9Å; V440-F523 HydrophobicContact CG2-CB 3.48Å; V440-F523 VanDerWaalsContact CG2-CB 3.48Å; V440-F523 HydrophobicContact CG2-CD1 4.15Å; V440-F523 HydrophobicContact CG2-CG 3.93Å |
| 441 | Q | 76.4 | Confident | 76.3 | Confident | 111 Ų | 111 | 55.1 Ų | 55.1 | 52% | 0.519 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | -45.6 | 179.8 | -167.7 | -178.7 | 21.1 | 0 | 0 | 111.9 | R449 T451 | Q441-R449 HydrophobicContact CB-CB 4.41Å; Q441-R449 PolarHBondContact N-O 2.89Å; Q441-R449 VanDerWaalsContact OE1-CD 3.22Å; Q441-T451 HydrophobicContact CB-CG2 3.77Å; Q441-T451 HydrophobicContact CG-CG2 4.18Å |
| 442 | Y | 74.4 | Confident | 78.6 | Confident | 107 Ų | 107 | 48.3 Ų | 48.3 | 42% | 0.42 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 153.2 | 170.4 | 64.9 | -98.8 | 0 | 0 | 0 | 111 | C448 R449 L493 | Y442-C448 CarbonylContact O-C 3.35Å; Y442-C448 WeakPolarHBondContact O-CA 3.22Å; Y442-R449 HydrophobicContact CD1-CB 3.89Å; Y442-R449 HydrophobicContact CD2-CB 4.4Å; Y442-R449 HydrophobicContact CE1-CB 3.59Å; Y442-R449 HydrophobicContact CE1-CG 4.11Å; Y442-R449 HydrophobicContact CE2-CB 4.09Å; Y442-R449 HydrophobicContact CG-CB 4.29Å; Y442-R449 PolarHBondContact O-N 2.59Å; Y442-L493 HydrophobicContact CE2-CD1 4.09Å |
| 443 | C | 74.3 | Confident | 80.4 | Confident | 28 Ų | 28 | 49.3 Ų | 49.3 | 19% | 0.189 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 128.1 | 172.3 | -86.3 | 0 | 0 | 0 | 0 | 110.2 | V440 S447 C448 L526 | V440-C443 VanDerWaalsContact CG1-SG 3.56Å; C443-S447 CarbonylContact C-O 3.59Å; C443-C448 HydrophobicContact CB-CB 4.18Å; C443-C448 WeakPolarHBondContact CB-SG 3.15Å; C443-C448 WeakPolarHBondContact SG-CB 3.35Å; C443-C448 CovalentContact SG-SG 2.03Å; C443-C448 PolarHBondContact SG-SG 2.97Å; C443-L526 WeakPolarHBondContact O-CD1 3.25Å; C443-L526 WeakPolarHBondContact O-CG 3.29Å |
| 444 | G | 73.7 | Confident | 81.1 | Confident | 19 Ų | 19 | 48.7 Ų | 48.7 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | trans | -97.1 | -164.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S447 L526 | G444-S447 PolarHBondContact N-O 3.08Å; G444-L526 PolarHBondContact O-N 3.4Å; G444-L526 VanDerWaalsContact O-N 3.07Å | ||
| 445 | M | 71.4 | Confident | 81.2 | Confident | 57 Ų | 57 | 45.6 Ų | 45.6 | 28% | 0.281 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -66.4 | -43.3 | 178.4 | -62.9 | 175.3 | -178.6 | 0 | 0 | 111.7 | S499 T525 L526 S615 | M445-S499 WeakPolarHBondContact O-CA 3.32Å; M445-S499 WeakPolarHBondContact O-CB 3.31Å; M445-S499 PolarHBondContact O-N 2.64Å; M445-T525 WeakPolarHBondContact O-CB 3.21Å; M445-L526 HydrophobicContact CG-CB 4.41Å; M445-S615 WeakPolarHBondContact CE-O 3.47Å |
| 446 | N | 80 | Confident | 80.6 | Confident | 91 Ų | 91 | 53.5 Ų | 53.5 | 49% | 0.487 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -128.3 | 16.9 | -171.9 | -58.6 | 9.1 | 0 | 0 | 0 | 112.4 | S495 Q496 L497 | N446-S495 CarbonylContact O-C 3.57Å; N446-Q496 PolarHBondContact O-N 3.32Å; N446-L497 VanDerWaalsContact CA-O 3.23Å; N446-L497 WeakPolarHBondContact CA-O 3.11Å; N446-L497 WeakPolarHBondContact CB-O 3.38Å; N446-L497 PolarHBondContact O-N 3.17Å |
| 447 | S | 79.7 | Confident | 79.4 | Confident | 36 Ų | 36 | 58.9 Ų | 58.9 | 25% | 0.252 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 150.6 | -178.9 | 59.2 | 0 | 0 | 0 | 0 | 112.3 | C443 G444 L494 | C443-S447 CarbonylContact C-O 3.59Å; G444-S447 PolarHBondContact N-O 3.08Å; S447-L494 CarbonylContact C-O 3.57Å; S447-L494 WeakPolarHBondContact CA-O 3.24Å; S447-L494 WeakPolarHBondContact CB-O 3.17Å |
| 448 | C | 84.6 | Confident | 78.1 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 133.8 | 177.6 | -74.5 | 0 | 0 | 0 | 0 | 110.4 | Y442 C443 L494 L497 F523 | Y442-C448 CarbonylContact O-C 3.35Å; Y442-C448 WeakPolarHBondContact O-CA 3.22Å; C443-C448 HydrophobicContact CB-CB 4.18Å; C443-C448 WeakPolarHBondContact CB-SG 3.15Å; C443-C448 WeakPolarHBondContact SG-CB 3.35Å; C443-C448 CovalentContact SG-SG 2.03Å; C443-C448 PolarHBondContact SG-SG 2.97Å; C448-L494 PolarHBondContact N-O 3.11Å; C448-L494 WeakPolarHBondContact O-CA 3.37Å; C448-L494 WeakPolarHBondContact O-CB 3.22Å; C448-L494 PolarHBondContact O-N 2.98Å; C448-L497 HydrophobicContact CB-CD1 3.85Å; C448-F523 HydrophobicContact CB-CD2 4Å; C448-F523 HydrophobicContact CB-CE2 3.75Å; C448-F523 VanDerWaalsContact SG-CD2 3.53Å |
| 449 | R | 87.6 | Confident | 76.8 | Confident | 83 Ų | 83 | 63 Ų | 63 | 31% | 0.313 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 122.4 | 176.5 | -164.6 | 168.8 | -172.1 | 153.7 | 5.3 | 110.5 | Q441 Y442 D491 C492 L493 | Q441-R449 HydrophobicContact CB-CB 4.41Å; Q441-R449 PolarHBondContact N-O 2.89Å; Q441-R449 VanDerWaalsContact OE1-CD 3.22Å; Y442-R449 HydrophobicContact CD1-CB 3.89Å; Y442-R449 HydrophobicContact CD2-CB 4.4Å; Y442-R449 HydrophobicContact CE1-CB 3.59Å; Y442-R449 HydrophobicContact CE1-CG 4.11Å; Y442-R449 HydrophobicContact CE2-CB 4.09Å; Y442-R449 HydrophobicContact CG-CB 4.29Å; Y442-R449 PolarHBondContact O-N 2.59Å; R449-D491 IonicContact CZ-OD2 3.91Å; R449-D491 IonicContact NE-OD2 2.89Å; R449-D491 PolarHBondContact NE-OD2 3.02Å; R449-D491 IonicContact NH2-OD2 2.78Å; R449-D491 PolarHBondContact NH2-OD2 3.11Å; R449-C492 CarbonylContact C-O 3.49Å; R449-C492 VanDerWaalsContact CA-O 3.3Å; R449-C492 WeakPolarHBondContact CA-O 3.47Å; R449-L493 HydrophobicContact CB-CD1 4.04Å |
| 450 | L | 91.1 | Very high | 75.5 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 147.9 | 176.9 | -57.8 | -175.5 | 0 | 0 | 0 | 110.7 | S439 V440 W452 V469 D491 C492 L494 A505 I521 F523 | S439-L450 WeakPolarHBondContact O-CA 3.31Å; V440-L450 HydrophobicContact CB-CD2 4.19Å; V440-L450 HydrophobicContact CG1-CD2 4.4Å; V440-L450 HydrophobicContact CG2-CD2 3.45Å; V440-L450 VanDerWaalsContact CG2-CD2 3.45Å; L450-W452 HydrophobicContact CB-CZ3 4.46Å; L450-V469 HydrophobicContact CD1-CG1 3.91Å; L450-D491 CarbonylContact O-C 3.54Å; L450-D491 WeakPolarHBondContact O-CA 3.39Å; L450-D491 WeakPolarHBondContact O-CB 3.3Å; L450-C492 PolarHBondContact N-O 3.07Å; L450-C492 PolarHBondContact O-N 3.16Å; L450-L494 HydrophobicContact CD1-CD1 3.87Å; L450-L494 HydrophobicContact CD1-CG 4.47Å; L450-L494 HydrophobicContact CG-CD1 4.15Å; L450-L494 HydrophobicContact CG-CG 4.49Å; L450-A505 HydrophobicContact CD1-CB 3.62Å; L450-I521 HydrophobicContact CD2-CD1 4.05Å; L450-F523 HydrophobicContact CD1-CE1 4.41Å; L450-F523 HydrophobicContact CD2-CD1 4.17Å; L450-F523 HydrophobicContact CD2-CE1 4.19Å |
| 451 | T | 87.6 | Confident | 74.3 | Confident | 33 Ų | 33 | 71.3 Ų | 71.3 | 20% | 0.202 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 143.4 | 178.8 | 51 | 0 | 0 | 0 | 0 | 111.1 | L438 S439 Q441 Q490 D491 | L438-T451 CarbonylContact C-O 3.57Å; L438-T451 WeakPolarHBondContact CA-O 3.25Å; S439-T451 PolarHBondContact N-O 2.86Å; S439-T451 PolarHBondContact O-N 2.91Å; S439-T451 PolarHBondContact OG-O 3.43Å; S439-T451 PolarHBondContact OG-OG1 3.19Å; Q441-T451 HydrophobicContact CB-CG2 3.77Å; Q441-T451 HydrophobicContact CG-CG2 4.18Å; T451-Q490 WeakPolarHBondContact CA-O 3.29Å; T451-D491 HydrophobicContact CG2-CB 3.7Å |
| 452 | W | 91 | Very high | 74 | Confident | 6 Ų | 6 | 66.9 Ų | 66.9 | 2% | 0.023 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 160.7 | 176.7 | 57.8 | 92.6 | 0 | 0 | 0 | 112.1 | L438 L450 Y467 V469 V485 Q490 C492 V507 | L438-W452 HydrophobicContact CB-CB 4.3Å; L438-W452 HydrophobicContact CD1-CB 4.08Å; L438-W452 HydrophobicContact CD1-CE3 4Å; L450-W452 HydrophobicContact CB-CZ3 4.46Å; W452-Y467 HydrophobicContact CZ2-CD2 4.04Å; W452-Y467 AromaticContact CZ2-CG 3.94Å; W452-Y467 HydrophobicContact CZ2-CG 3.94Å; W452-Y467 AromaticContact NE1-CD1 3.54Å; W452-Y467 AromaticContact NE1-CD2 3.58Å; W452-Y467 AromaticContact NE1-CE1 3.6Å; W452-Y467 AromaticContact NE1-CE2 3.64Å; W452-Y467 AromaticContact NE1-CG 3.53Å; W452-Y467 AromaticContact NE1-CZ 3.65Å; W452-V469 HydrophobicContact CH2-CG2 3.49Å; W452-V469 VanDerWaalsContact CH2-CG2 3.49Å; W452-V469 HydrophobicContact CZ2-CG2 4.28Å; W452-V469 HydrophobicContact CZ3-CG2 3.82Å; W452-V485 HydrophobicContact CH2-CB 4.47Å; W452-V485 HydrophobicContact CH2-CG1 4.32Å; W452-V485 HydrophobicContact CH2-CG2 4.31Å; W452-V485 HydrophobicContact CZ2-CB 4.49Å; W452-V485 HydrophobicContact CZ2-CG1 4.26Å; W452-Q490 PolarHBondContact N-O 2.98Å; W452-C492 HydrophobicContact CH2-CB 4.02Å; W452-C492 HydrophobicContact CZ3-CB 4.08Å; W452-V507 HydrophobicContact CD2-CB 4.33Å; W452-V507 HydrophobicContact CD2-CG1 3.85Å; W452-V507 HydrophobicContact CD2-CG2 3.91Å; W452-V507 HydrophobicContact CE3-CG1 4.38Å; W452-V507 HydrophobicContact CE3-CG2 3.65Å; W452-V507 HydrophobicContact CG-CG1 4.11Å; W452-V507 HydrophobicContact CG-CG2 4.45Å; W452-V507 HydrophobicContact CZ2-CG1 4.13Å; W452-V507 HydrophobicContact CZ3-CG2 3.99Å |
| 453 | L | 83.3 | Confident | 74 | Confident | 88 Ų | 88 | 71.5 Ų | 71.5 | 46% | 0.461 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 144.5 | 170.5 | -67.2 | 177 | 0 | 0 | 0 | 110.9 | T436 | T436-L453 PolarHBondContact N-O 3.03Å; T436-L453 VanDerWaalsContact N-O 3.09Å; T436-L453 WeakPolarHBondContact O-CA 3.46Å; T436-L453 WeakPolarHBondContact O-CB 3.31Å; T436-L453 PolarHBondContact O-N 3.14Å |
| 454 | P | 82.1 | Confident | 74.3 | Confident | 47 Ų | 47 | 71.7 Ų | 71.7 | 31% | 0.305 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -62 | 155.4 | 174.6 | 26.2 | -33.3 | 0 | 0 | 0 | 111.7 | Y467 | P454-Y467 WeakPolarHBondContact CA-OH 3.43Å; P454-Y467 WeakPolarHBondContact CB-OH 3.37Å |
| 455 | P | 77.2 | Confident | 74.8 | Confident | 13 Ų | 13 | 75.2 Ų | 75.2 | 8% | 0.084 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 138 | 175 | -22.3 | 33 | 0 | 0 | 0 | 111.7 | P435 F511 | P435-P455 HydrophobicContact CG-CG 4.41Å; P455-F511 HydrophobicContact CB-CZ 4.39Å; P455-F511 HydrophobicContact CG-CE2 4.47Å; P455-F511 HydrophobicContact CG-CZ 4.02Å |
| 456 | K | 65.9 | Low | 75.5 | Confident | 168 Ų | 168 | 74.6 Ų | 74.6 | 73% | 0.73 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -70.7 | -36.7 | -179.1 | -70.9 | -174.2 | 178.5 | -179.3 | 0 | 112.8 | ||
| 457 | E | 55.5 | Low | 76 | Confident | 143 Ų | 143 | 70.4 Ų | 70.4 | 67% | 0.668 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -141 | 158.7 | 178.1 | -69 | -179.5 | 170.4 | 0 | 0 | 108.9 | ||
| 458 | G | 54 | Low | 76.4 | Confident | 12 Ų | 12 | 73.2 Ų | 73.2 | 12% | 0.124 | 33% | 0.333 | C | S | . | . | trans | 137 | 3.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | E460 W461 | G458-E460 PolarHBondContact O-N 3.3Å; G458-W461 PolarHBondContact O-N 3.1Å | ||
| 459 | Y | 56 | Low | 76.7 | Confident | 176 Ų | 176 | 73.2 Ų | 73.2 | 69% | 0.69 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -61 | -14.4 | 176.9 | -62 | -76.5 | 0 | 0 | 0 | 114 | W461 G462 | Y459-W461 PolarHBondContact O-N 2.9Å; Y459-G462 PolarHBondContact O-N 3.07Å |
| 460 | E | 56.4 | Low | 76.7 | Confident | 183 Ų | 183 | 70.9 Ų | 70.9 | 86% | 0.855 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -59.8 | -25.7 | 170.2 | -60.3 | -170.8 | 175.9 | 0 | 0 | 112.4 | G458 G462 | G458-E460 PolarHBondContact O-N 3.3Å; E460-G462 PolarHBondContact O-N 3.48Å |
| 461 | W | 58 | Low | 76.5 | Confident | 97 Ų | 97 | 72.6 Ų | 72.6 | 37% | 0.367 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -83.5 | 11.7 | 176.6 | -67.5 | 17.5 | 0 | 0 | 0 | 112.7 | G458 Y459 F511 T512 Y513 | G458-W461 PolarHBondContact O-N 3.1Å; Y459-W461 PolarHBondContact O-N 2.9Å; W461-F511 HydrophobicContact CB-CB 3.8Å; W461-F511 HydrophobicContact CB-CD2 4.42Å; W461-F511 HydrophobicContact CB-CG 4.03Å; W461-F511 HydrophobicContact CE3-CD2 4.36Å; W461-F511 VanDerWaalsContact O-CB 3.31Å; W461-F511 WeakPolarHBondContact O-CB 3.2Å; W461-T512 PolarHBondContact O-N 2.03Å; W461-Y513 VanDerWaalsContact C-CD2 3.48Å; W461-Y513 VanDerWaalsContact O-CD2 3.24Å; W461-Y513 WeakPolarHBondContact O-CD2 3.32Å; W461-Y513 PolarHBondContact O-N 3.21Å |
| 462 | G | 69.3 | Low | 76.3 | Confident | 17 Ų | 17 | 72.4 Ų | 72.4 | 18% | 0.175 | 33% | 0.328 | C | S | . | . | trans | 90.2 | -163 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y459 E460 | Y459-G462 PolarHBondContact O-N 3.07Å; E460-G462 PolarHBondContact O-N 3.48Å | ||
| 463 | R | 75.1 | Confident | 75.6 | Confident | 204 Ų | 204 | 74.7 Ų | 74.7 | 77% | 0.77 | 34% | 0.337 | S | S | * | . | trans | -72.8 | 133.5 | -179.7 | -176 | 177.7 | 175.7 | 178.8 | 0.4 | 109.9 | I465 F511 T512 | R463-I465 PolarHBondContact O-N 2.93Å; R463-F511 WeakPolarHBondContact O-CA 3.25Å; R463-T512 PolarHBondContact N-OG1 3.33Å; R463-T512 PolarHBondContact O-N 2.47Å; R463-T512 PolarHBondContact O-OG1 2.72Å | ||
| 464 | L | 80.5 | Confident | 75.1 | Confident | 33 Ų | 33 | 74.9 Ų | 74.9 | 17% | 0.173 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 117.6 | 166.9 | -179.4 | 71.6 | 0 | 0 | 0 | 109.1 | Y467 A487 F511 | L464-Y467 HydrophobicContact CD1-CE1 4.34Å; L464-Y467 HydrophobicContact CD2-CE1 4.32Å; L464-Y467 HydrophobicContact CD2-CE2 3.87Å; L464-Y467 VanDerWaalsContact CD2-OH 3.29Å; L464-Y467 WeakPolarHBondContact CD2-OH 3.27Å; L464-A487 HydrophobicContact CD2-CB 4.02Å; L464-A487 HydrophobicContact CG-CB 3.95Å; L464-F511 HydrophobicContact CB-CD1 4.08Å; L464-F511 HydrophobicContact CB-CE1 4.04Å; L464-F511 HydrophobicContact CD1-CD1 4.32Å; L464-F511 HydrophobicContact CD1-CE1 4.15Å; L464-F511 HydrophobicContact CD1-CE2 4.47Å; L464-F511 HydrophobicContact CD1-CZ 4.24Å |
| 465 | I | 83.6 | Confident | 74 | Confident | 93 Ų | 93 | 78.6 Ų | 78.6 | 48% | 0.477 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -52.5 | -175.7 | -61.2 | 173.8 | 0 | 0 | 0 | 109.9 | R463 A487 V510 | R463-I465 PolarHBondContact O-N 2.93Å; I465-A487 WeakPolarHBondContact O-CB 3.36Å; I465-V510 PolarHBondContact N-O 3.27Å |
| 466 | E | 86 | Confident | 73.5 | Confident | 44 Ų | 44 | 80.5 Ų | 80.5 | 21% | 0.206 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 166.5 | -172.8 | 61.5 | -178.5 | -162.1 | 0 | 0 | 111.4 | R468 V510 | E466-R468 IonicContact OE1-CZ 3.71Å; E466-R468 VanDerWaalsContact OE1-CZ 3.23Å; E466-R468 IonicContact OE1-NE 3.21Å; E466-R468 PolarHBondContact OE1-NE 3Å; E466-R468 IonicContact OE1-NH2 3.95Å; E466-R468 PolarHBondContact OE1-NH2 3.47Å; E466-V510 HydrophobicContact CG-CB 3.97Å; E466-V510 HydrophobicContact CG-CG1 4.45Å; E466-V510 HydrophobicContact CG-CG2 4.24Å; E466-V510 PolarHBondContact O-N 2.79Å |
| 467 | Y | 91.9 | Very high | 73.1 | Confident | 2 Ų | 2 | 75.8 Ų | 75.8 | 1% | 0.008 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 141.5 | 164 | -67.9 | -73.4 | 0 | 0 | 0 | 109.9 | P435 W452 P454 L464 V485 V507 Q508 | P435-Y467 HydrophobicContact CG-CE1 4.43Å; W452-Y467 HydrophobicContact CZ2-CD2 4.04Å; W452-Y467 AromaticContact CZ2-CG 3.94Å; W452-Y467 HydrophobicContact CZ2-CG 3.94Å; W452-Y467 AromaticContact NE1-CD1 3.54Å; W452-Y467 AromaticContact NE1-CD2 3.58Å; W452-Y467 AromaticContact NE1-CE1 3.6Å; W452-Y467 AromaticContact NE1-CE2 3.64Å; W452-Y467 AromaticContact NE1-CG 3.53Å; W452-Y467 AromaticContact NE1-CZ 3.65Å; P454-Y467 WeakPolarHBondContact CA-OH 3.43Å; P454-Y467 WeakPolarHBondContact CB-OH 3.37Å; L464-Y467 HydrophobicContact CD1-CE1 4.34Å; L464-Y467 HydrophobicContact CD2-CE1 4.32Å; L464-Y467 HydrophobicContact CD2-CE2 3.87Å; L464-Y467 VanDerWaalsContact CD2-OH 3.29Å; L464-Y467 WeakPolarHBondContact CD2-OH 3.27Å; Y467-V485 PolarHBondContact N-O 3.48Å; Y467-V485 PolarHBondContact O-N 2.76Å; Y467-V507 HydrophobicContact CD1-CG1 3.84Å; Y467-V507 HydrophobicContact CG-CG1 4.31Å; Y467-Q508 WeakPolarHBondContact CA-O 2.98Å |
| 468 | R | 88.7 | Confident | 73.3 | Confident | 95 Ų | 95 | 76.5 Ų | 76.5 | 36% | 0.358 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 113.7 | 170.5 | -65 | 179.9 | -176.6 | 171.7 | 1.5 | 109.3 | E466 F470 T484 Q508 V510 | E466-R468 IonicContact OE1-CZ 3.71Å; E466-R468 VanDerWaalsContact OE1-CZ 3.23Å; E466-R468 IonicContact OE1-NE 3.21Å; E466-R468 PolarHBondContact OE1-NE 3Å; E466-R468 IonicContact OE1-NH2 3.95Å; E466-R468 PolarHBondContact OE1-NH2 3.47Å; R468-F470 HydrophobicContact CB-CD2 4.29Å; R468-F470 HydrophobicContact CB-CE2 3.54Å; R468-F470 HydrophobicContact CB-CZ 3.95Å; R468-F470 WeakPolarHBondContact O-CD2 3.13Å; R468-T484 HydrophobicContact CG-CG2 4.33Å; R468-Q508 HydrophobicContact CB-CB 4.38Å; R468-Q508 PolarHBondContact N-O 3.44Å; R468-Q508 PolarHBondContact O-N 2.94Å; R468-V510 HydrophobicContact CG-CG2 4.09Å |
| 469 | V | 90.1 | Very high | 73.7 | Confident | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 115.6 | 176 | -173.2 | 0 | 0 | 0 | 0 | 107.6 | L450 W452 N482 I483 V485 C492 V507 | L450-V469 HydrophobicContact CD1-CG1 3.91Å; W452-V469 HydrophobicContact CH2-CG2 3.49Å; W452-V469 VanDerWaalsContact CH2-CG2 3.49Å; W452-V469 HydrophobicContact CZ2-CG2 4.28Å; W452-V469 HydrophobicContact CZ3-CG2 3.82Å; V469-N482 CarbonylContact O-C 3.57Å; V469-N482 WeakPolarHBondContact O-CA 3.35Å; V469-I483 PolarHBondContact N-O 2.81Å; V469-I483 PolarHBondContact O-N 2.78Å; V469-V485 HydrophobicContact CG2-CG2 3.94Å; V469-C492 HydrophobicContact CG2-CB 4.2Å; V469-V507 HydrophobicContact CG1-CG2 4.29Å; V469-V507 HydrophobicContact CG2-CG2 4.12Å |
| 470 | F | 86.8 | Confident | 74.6 | Confident | 35 Ų | 35 | 77 Ų | 77 | 15% | 0.154 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 134.4 | 175.3 | -63.7 | -90.6 | 0 | 0 | 0 | 109 | R468 W472 V480 S481 N482 A505 K506 Q508 | R468-F470 HydrophobicContact CB-CD2 4.29Å; R468-F470 HydrophobicContact CB-CE2 3.54Å; R468-F470 HydrophobicContact CB-CZ 3.95Å; R468-F470 WeakPolarHBondContact O-CD2 3.13Å; F470-W472 HydrophobicContact CB-CZ3 4.15Å; F470-V480 HydrophobicContact CB-CG1 3.87Å; F470-V480 HydrophobicContact CD1-CG1 3.81Å; F470-V480 HydrophobicContact CG-CG1 4.32Å; F470-S481 CarbonylContact C-O 3.58Å; F470-S481 WeakPolarHBondContact CA-O 3.32Å; F470-N482 HydrophobicContact CD1-CB 3.66Å; F470-N482 HydrophobicContact CE1-CB 3.77Å; F470-N482 HydrophobicContact CG-CB 4.39Å; F470-A505 CarbonylContact O-C 3.56Å; F470-A505 WeakPolarHBondContact O-CA 3.16Å; F470-A505 WeakPolarHBondContact O-CB 2.99Å; F470-K506 HydrophobicContact CB-CG 3.94Å; F470-K506 HydrophobicContact CD2-CG 4.3Å; F470-K506 PolarHBondContact N-O 2.84Å; F470-K506 PolarHBondContact O-N 3.24Å; F470-Q508 HydrophobicContact CE2-CB 3.99Å |
| 471 | Y | 87.3 | Confident | 75.7 | Confident | 35 Ų | 35 | 70.9 Ų | 70.9 | 14% | 0.137 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 148.1 | 174.4 | 67.6 | -80.5 | 0 | 0 | 0 | 111.9 | S481 I483 L494 L497 Y503 Y504 | Y471-S481 VanDerWaalsContact CE1-CB 3.48Å; Y471-S481 PolarHBondContact N-O 2.83Å; Y471-S481 PolarHBondContact O-N 3.25Å; Y471-I483 HydrophobicContact CE1-CD1 3.81Å; Y471-I483 HydrophobicContact CE1-CG1 4.04Å; Y471-L494 HydrophobicContact CD1-CD1 4.28Å; Y471-L494 HydrophobicContact CD1-CD2 3.91Å; Y471-L494 HydrophobicContact CD2-CD1 4.36Å; Y471-L494 HydrophobicContact CE1-CD2 3.88Å; Y471-L494 HydrophobicContact CG-CD1 4.07Å; Y471-L497 HydrophobicContact CD2-CD2 4.4Å; Y471-L497 HydrophobicContact CE2-CD2 3.96Å; Y471-Y503 HydrophobicContact CD2-CD1 4.08Å; Y471-Y503 HydrophobicContact CD2-CE1 4.33Å; Y471-Y504 CarbonylContact C-O 3.59Å; Y471-Y504 WeakPolarHBondContact CA-O 3.29Å; Y471-Y504 WeakPolarHBondContact CB-O 3.38Å |
| 472 | W | 83.8 | Confident | 77.1 | Confident | 30 Ų | 30 | 71 Ų | 71 | 11% | 0.114 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 153.2 | -179.6 | 58.1 | 95.3 | 0 | 0 | 0 | 110.8 | F470 L479 V480 Y503 Y504 K506 I520 | F470-W472 HydrophobicContact CB-CZ3 4.15Å; W472-L479 WeakPolarHBondContact CB-O 3.41Å; W472-V480 HydrophobicContact CB-CG2 4.09Å; W472-V480 HydrophobicContact CD2-CG2 4.13Å; W472-V480 HydrophobicContact CE3-CG1 3.84Å; W472-V480 HydrophobicContact CE3-CG2 4.06Å; W472-V480 HydrophobicContact CG-CG2 4.2Å; W472-V480 HydrophobicContact CZ3-CG1 4.45Å; W472-Y503 CarbonylContact O-C 3.41Å; W472-Y503 VanDerWaalsContact O-CA 3.28Å; W472-Y503 WeakPolarHBondContact O-CA 3.32Å; W472-Y504 AromaticContact CD1-CD2 3.82Å; W472-Y504 VanDerWaalsContact CE2-CB 3.41Å; W472-Y504 HydrophobicContact CZ2-CG 4.23Å; W472-Y504 PolarHBondContact N-O 2.82Å; W472-Y504 AromaticContact NE1-CD2 3.35Å; W472-Y504 VanDerWaalsContact NE1-CD2 3.35Å; W472-Y504 AromaticContact NE1-CG 3.8Å; W472-Y504 PolarHBondContact O-N 3.25Å; W472-K506 HydrophobicContact CH2-CD 4.44Å; W472-K506 HydrophobicContact CH2-CG 4.3Å; W472-K506 HydrophobicContact CZ3-CG 4.17Å; W472-I520 HydrophobicContact CH2-CD1 4.15Å; W472-I520 HydrophobicContact CH2-CG1 4.29Å; W472-I520 HydrophobicContact CH2-CG2 4.01Å; W472-I520 HydrophobicContact CZ2-CD1 4.26Å; W472-I520 HydrophobicContact CZ2-CG2 4.06Å |
| 473 | K | 77.2 | Confident | 77.9 | Confident | 53 Ų | 53 | 72.7 Ų | 72.7 | 23% | 0.23 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 139.8 | 172.9 | -59.5 | 178.3 | -177.9 | -177.6 | 0 | 108.9 | V475 T476 E498 V501 Y503 | K473-V475 PolarHBondContact O-N 2.89Å; K473-V475 VanDerWaalsContact O-N 3.12Å; K473-T476 CarbonylContact O-C 3.59Å; K473-T476 PolarHBondContact O-N 2.83Å; K473-E498 IonicContact NZ-OE1 3.43Å; K473-E498 PolarHBondContact NZ-OE1 3.12Å; K473-E498 IonicContact NZ-OE2 2.96Å; K473-E498 PolarHBondContact NZ-OE2 2.96Å; K473-V501 HydrophobicContact CB-CG1 4.36Å; K473-V501 HydrophobicContact CD-CG1 4.11Å; K473-V501 HydrophobicContact CG-CG1 3.98Å; K473-Y503 HydrophobicContact CB-CE1 4.45Å; K473-Y503 HydrophobicContact CD-CE1 4.47Å; K473-Y503 WeakPolarHBondContact CE-OH 3.39Å; K473-Y503 HydrophobicContact CG-CD1 3.98Å; K473-Y503 HydrophobicContact CG-CE1 3.41Å; K473-Y503 VanDerWaalsContact CG-CE1 3.41Å |
| 474 | Q | 71.6 | Confident | 78.6 | Confident | 92 Ų | 92 | 67.5 Ų | 67.5 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -34.4 | 174.6 | 172.8 | 172.8 | 20.3 | 0 | 0 | 112.5 | V502 Y504 | Q474-V502 HydrophobicContact CB-CB 4.13Å; Q474-V502 HydrophobicContact CB-CG1 4.11Å; Q474-V502 PolarHBondContact N-O 2.98Å; Q474-Y504 HydrophobicContact CB-CD2 4.11Å; Q474-Y504 HydrophobicContact CB-CE2 3.6Å; Q474-Y504 HydrophobicContact CG-CE2 3.66Å; Q474-Y504 PolarHBondContact NE2-OH 3.08Å |
| 475 | V | 59.1 | Low | 78.9 | Confident | 126 Ų | 126 | 66.6 Ų | 66.6 | 76% | 0.764 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -25.2 | -177.9 | -167.1 | 0 | 0 | 0 | 0 | 112.5 | K473 | K473-V475 PolarHBondContact O-N 2.89Å; K473-V475 VanDerWaalsContact O-N 3.12Å |
| 476 | T | 66.2 | Low | 79.1 | Confident | 53 Ų | 53 | 68.7 Ų | 68.7 | 33% | 0.325 | 36% | 0.362 | S | S | . | . | trans | -129.9 | 67.3 | -176.8 | 59.8 | 0 | 0 | 0 | 0 | 111.1 | K473 N478 L479 | K473-T476 CarbonylContact O-C 3.59Å; K473-T476 PolarHBondContact O-N 2.83Å; T476-N478 PolarHBondContact O-N 2.81Å; T476-L479 PolarHBondContact O-N 2.86Å | ||
| 477 | P | 58.2 | Low | 79.1 | Confident | 68 Ų | 68 | 68 Ų | 68 | 44% | 0.442 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -16.5 | -174.5 | 26.3 | -34.6 | 0 | 0 | 0 | 114.4 | V480 | P477-V480 WeakPolarHBondContact O-CG2 3.39Š|
| 478 | N | 60.5 | Low | 78.7 | Confident | 159 Ų | 159 | 73.8 Ų | 73.8 | 85% | 0.85 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -18.1 | 178.1 | -58.5 | -14.8 | 0 | 0 | 0 | 113.1 | T476 V480 | T476-N478 PolarHBondContact O-N 2.81Å; N478-V480 PolarHBondContact O-N 3.21Å |
| 479 | L | 61.6 | Low | 78.6 | Confident | 128 Ų | 128 | 71.7 Ų | 71.7 | 67% | 0.67 | 39% | 0.392 | S | S | * | . | trans | -99.1 | 78.5 | 179.2 | -84.7 | 138.3 | 0 | 0 | 0 | 109.4 | W472 T476 | W472-L479 WeakPolarHBondContact CB-O 3.41Å; T476-L479 PolarHBondContact O-N 2.86Å | ||
| 480 | V | 74 | Confident | 78.4 | Confident | 69 Ų | 69 | 75.9 Ų | 75.9 | 42% | 0.418 | 41% | 0.412 | S | S | . | . | trans | -90.5 | 115.7 | -179.9 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | F470 W472 P477 N478 | F470-V480 HydrophobicContact CB-CG1 3.87Å; F470-V480 HydrophobicContact CD1-CG1 3.81Å; F470-V480 HydrophobicContact CG-CG1 4.32Å; W472-V480 HydrophobicContact CB-CG2 4.09Å; W472-V480 HydrophobicContact CD2-CG2 4.13Å; W472-V480 HydrophobicContact CE3-CG1 3.84Å; W472-V480 HydrophobicContact CE3-CG2 4.06Å; W472-V480 HydrophobicContact CG-CG2 4.2Å; W472-V480 HydrophobicContact CZ3-CG1 4.45Å; P477-V480 WeakPolarHBondContact O-CG2 3.39Å; N478-V480 PolarHBondContact O-N 3.21Å | ||
| 481 | S | 79.8 | Confident | 78.5 | Confident | 55 Ų | 55 | 76.2 Ų | 76.2 | 39% | 0.385 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 144.3 | 169.1 | -60.7 | 0 | 0 | 0 | 0 | 109.6 | F470 Y471 | F470-S481 CarbonylContact C-O 3.58Å; F470-S481 WeakPolarHBondContact CA-O 3.32Å; Y471-S481 VanDerWaalsContact CE1-CB 3.48Å; Y471-S481 PolarHBondContact N-O 2.83Å; Y471-S481 PolarHBondContact O-N 3.25Å |
| 482 | N | 87.7 | Confident | 78.7 | Confident | 101 Ų | 101 | 75.2 Ų | 75.2 | 54% | 0.54 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 148.9 | 174.8 | 66.6 | 5.4 | 0 | 0 | 0 | 111.9 | V469 F470 | V469-N482 CarbonylContact O-C 3.57Å; V469-N482 WeakPolarHBondContact O-CA 3.35Å; F470-N482 HydrophobicContact CD1-CB 3.66Å; F470-N482 HydrophobicContact CE1-CB 3.77Å; F470-N482 HydrophobicContact CG-CB 4.39Å |
| 483 | I | 86.5 | Confident | 78.9 | Confident | 52 Ų | 52 | 77.7 Ų | 77.7 | 27% | 0.267 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 128.4 | 173.9 | -61.9 | 169.4 | 0 | 0 | 0 | 107.5 | V469 Y471 V485 L494 | V469-I483 PolarHBondContact N-O 2.81Å; V469-I483 PolarHBondContact O-N 2.78Å; Y471-I483 HydrophobicContact CE1-CD1 3.81Å; Y471-I483 HydrophobicContact CE1-CG1 4.04Å; I483-V485 HydrophobicContact CG2-CG2 4.15Å; I483-L494 HydrophobicContact CD1-CD2 3.45Å; I483-L494 VanDerWaalsContact CD1-CD2 3.45Å |
| 484 | T | 89.2 | Confident | 79.5 | Confident | 94 Ų | 94 | 75.1 Ų | 75.1 | 58% | 0.577 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 126.4 | 173.4 | 45.4 | 0 | 0 | 0 | 0 | 109.9 | R468 | R468-T484 HydrophobicContact CG-CG2 4.33Å |
| 485 | V | 87.6 | Confident | 80.1 | Confident | 14 Ų | 14 | 74.1 Ų | 74.1 | 9% | 0.085 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 132.6 | -178.8 | 179.2 | 0 | 0 | 0 | 0 | 108.1 | W452 Y467 V469 I483 V489 C492 | W452-V485 HydrophobicContact CH2-CB 4.47Å; W452-V485 HydrophobicContact CH2-CG1 4.32Å; W452-V485 HydrophobicContact CH2-CG2 4.31Å; W452-V485 HydrophobicContact CZ2-CB 4.49Å; W452-V485 HydrophobicContact CZ2-CG1 4.26Å; Y467-V485 PolarHBondContact N-O 3.48Å; Y467-V485 PolarHBondContact O-N 2.76Å; V469-V485 HydrophobicContact CG2-CG2 3.94Å; I483-V485 HydrophobicContact CG2-CG2 4.15Å; V485-V489 HydrophobicContact CG1-CB 3.48Å; V485-V489 VanDerWaalsContact CG1-CB 3.48Å; V485-V489 HydrophobicContact CG1-CG1 3.49Å; V485-V489 VanDerWaalsContact CG1-CG1 3.49Å; V485-C492 HydrophobicContact CG2-CB 4.07Å |
| 486 | Q | 87.8 | Confident | 81.2 | Confident | 138 Ų | 138 | 76.9 Ų | 76.9 | 65% | 0.645 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 147 | -179.4 | -66.4 | -169.7 | -17.5 | 0 | 0 | 110.9 | N488 V489 | Q486-N488 WeakPolarHBondContact CB-OD1 3.15Å; Q486-N488 PolarHBondContact O-N 2.98Å; Q486-V489 HydrophobicContact CB-CG2 4.44Å; Q486-V489 PolarHBondContact O-N 2.77Å |
| 487 | A | 84.8 | Confident | 82 | Confident | 30 Ų | 30 | 74.6 Ų | 74.6 | 25% | 0.248 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -20.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L464 I465 | L464-A487 HydrophobicContact CD2-CB 4.02Å; L464-A487 HydrophobicContact CG-CB 3.95Å; I465-A487 WeakPolarHBondContact O-CB 3.36Å |
| 488 | N | 84.6 | Confident | 83 | Confident | 123 Ų | 123 | 76.3 Ų | 76.3 | 66% | 0.658 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -7.8 | 176.3 | 61.2 | -25.5 | 0 | 0 | 0 | 113.9 | Q486 | Q486-N488 WeakPolarHBondContact CB-OD1 3.15Å; Q486-N488 PolarHBondContact O-N 2.98Å |
| 489 | V | 85.5 | Confident | 83.5 | Confident | 50 Ų | 50 | 71 Ų | 71 | 30% | 0.303 | 39% | 0.388 | S | S | . | . | trans | -104.4 | 129.8 | -178.2 | 179.5 | 0 | 0 | 0 | 0 | 109.2 | V485 Q486 D491 | V485-V489 HydrophobicContact CG1-CB 3.48Å; V485-V489 VanDerWaalsContact CG1-CB 3.48Å; V485-V489 HydrophobicContact CG1-CG1 3.49Å; V485-V489 VanDerWaalsContact CG1-CG1 3.49Å; Q486-V489 HydrophobicContact CB-CG2 4.44Å; Q486-V489 PolarHBondContact O-N 2.77Å; V489-D491 VanDerWaalsContact CG1-O 3.28Å; V489-D491 WeakPolarHBondContact CG1-O 3.26Å; V489-D491 WeakPolarHBondContact CG1-OD1 3.41Å | ||
| 490 | Q | 87.1 | Confident | 84 | Confident | 88 Ų | 88 | 66.8 Ų | 66.8 | 41% | 0.411 | 38% | 0.376 | S | S | . | . | trans | -114 | 11 | -172.4 | -66.9 | 178.1 | 4.7 | 0 | 0 | 112.7 | T451 W452 | T451-Q490 WeakPolarHBondContact CA-O 3.29Å; W452-Q490 PolarHBondContact N-O 2.98Å | ||
| 491 | D | 89.1 | Confident | 84.3 | Confident | 43 Ų | 43 | 64.9 Ų | 64.9 | 23% | 0.23 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 162.1 | 179.3 | 73 | -21.1 | 0 | 0 | 0 | 112.1 | R449 L450 T451 V489 | R449-D491 IonicContact CZ-OD2 3.91Å; R449-D491 IonicContact NE-OD2 2.89Å; R449-D491 PolarHBondContact NE-OD2 3.02Å; R449-D491 IonicContact NH2-OD2 2.78Å; R449-D491 PolarHBondContact NH2-OD2 3.11Å; L450-D491 CarbonylContact O-C 3.54Å; L450-D491 WeakPolarHBondContact O-CA 3.39Å; L450-D491 WeakPolarHBondContact O-CB 3.3Å; T451-D491 HydrophobicContact CG2-CB 3.7Å; V489-D491 VanDerWaalsContact CG1-O 3.28Å; V489-D491 WeakPolarHBondContact CG1-O 3.26Å; V489-D491 WeakPolarHBondContact CG1-OD1 3.41Å |
| 492 | C | 89.9 | Confident | 84.2 | Confident | 13 Ų | 13 | 64.1 Ų | 64.1 | 9% | 0.088 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 128.9 | -179.6 | -175.7 | 0 | 0 | 0 | 0 | 110.9 | R449 L450 W452 V469 V485 | R449-C492 CarbonylContact C-O 3.49Å; R449-C492 VanDerWaalsContact CA-O 3.3Å; R449-C492 WeakPolarHBondContact CA-O 3.47Å; L450-C492 PolarHBondContact N-O 3.07Å; L450-C492 PolarHBondContact O-N 3.16Å; W452-C492 HydrophobicContact CH2-CB 4.02Å; W452-C492 HydrophobicContact CZ3-CB 4.08Å; V469-C492 HydrophobicContact CG2-CB 4.2Å; V485-C492 HydrophobicContact CG2-CB 4.07Å |
| 493 | L | 89.3 | Confident | 84 | Confident | 82 Ų | 82 | 59.9 Ų | 59.9 | 43% | 0.429 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 113.3 | 171.9 | -179.1 | 67.5 | 0 | 0 | 0 | 110.1 | Y442 R449 | Y442-L493 HydrophobicContact CE2-CD1 4.09Å; R449-L493 HydrophobicContact CB-CD1 4.04Å |
| 494 | L | 88.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 122.4 | 167.6 | -49.3 | -177.6 | 0 | 0 | 0 | 108 | S447 C448 L450 Y471 I483 L497 F523 | S447-L494 CarbonylContact C-O 3.57Å; S447-L494 WeakPolarHBondContact CA-O 3.24Å; S447-L494 WeakPolarHBondContact CB-O 3.17Å; C448-L494 PolarHBondContact N-O 3.11Å; C448-L494 WeakPolarHBondContact O-CA 3.37Å; C448-L494 WeakPolarHBondContact O-CB 3.22Å; C448-L494 PolarHBondContact O-N 2.98Å; L450-L494 HydrophobicContact CD1-CD1 3.87Å; L450-L494 HydrophobicContact CD1-CG 4.47Å; L450-L494 HydrophobicContact CG-CD1 4.15Å; L450-L494 HydrophobicContact CG-CG 4.49Å; Y471-L494 HydrophobicContact CD1-CD1 4.28Å; Y471-L494 HydrophobicContact CD1-CD2 3.91Å; Y471-L494 HydrophobicContact CD2-CD1 4.36Å; Y471-L494 HydrophobicContact CE1-CD2 3.88Å; Y471-L494 HydrophobicContact CG-CD1 4.07Å; I483-L494 HydrophobicContact CD1-CD2 3.45Å; I483-L494 VanDerWaalsContact CD1-CD2 3.45Å; L494-L497 HydrophobicContact CB-CD1 3.99Å; L494-L497 HydrophobicContact CB-CD2 4.36Å; L494-L497 HydrophobicContact CB-CG 4.34Å; L494-F523 HydrophobicContact CD1-CE1 4.24Å; L494-F523 HydrophobicContact CD1-CE2 4.24Å; L494-F523 HydrophobicContact CD1-CZ 3.51Å |
| 495 | S | 84.6 | Confident | 83.7 | Confident | 71 Ų | 71 | 55.9 Ų | 55.9 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 166.8 | 177.5 | 62.6 | 0 | 0 | 0 | 0 | 111.1 | N446 L497 | N446-S495 CarbonylContact O-C 3.57Å; S495-L497 VanDerWaalsContact C-N 3.25Å; S495-L497 PolarHBondContact O-N 2.91Å |
| 496 | Q | 81.6 | Confident | 83.6 | Confident | 183 Ų | 183 | 57.7 Ų | 57.7 | 86% | 0.855 | 31% | 0.312 | S | S | * | . | S | Bend | trans | 61.8 | 28.9 | -177.2 | -50.4 | -179.8 | 0.7 | 0 | 0 | 114.3 | N446 | N446-Q496 PolarHBondContact O-N 3.32Š|
| 497 | L | 84.8 | Confident | 83.6 | Confident | 6 Ų | 6 | 51.1 Ų | 51.1 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 154.1 | 171.2 | -56.5 | 179.1 | 0 | 0 | 0 | 110.3 | N446 C448 Y471 L494 S495 Y503 F523 T525 | N446-L497 VanDerWaalsContact CA-O 3.23Å; N446-L497 WeakPolarHBondContact CA-O 3.11Å; N446-L497 WeakPolarHBondContact CB-O 3.38Å; N446-L497 PolarHBondContact O-N 3.17Å; C448-L497 HydrophobicContact CB-CD1 3.85Å; Y471-L497 HydrophobicContact CD2-CD2 4.4Å; Y471-L497 HydrophobicContact CE2-CD2 3.96Å; L494-L497 HydrophobicContact CB-CD1 3.99Å; L494-L497 HydrophobicContact CB-CD2 4.36Å; L494-L497 HydrophobicContact CB-CG 4.34Å; S495-L497 VanDerWaalsContact C-N 3.25Å; S495-L497 PolarHBondContact O-N 2.91Å; L497-Y503 HydrophobicContact CB-CE2 4.24Å; L497-Y503 HydrophobicContact CD2-CE1 3.96Å; L497-Y503 HydrophobicContact CD2-CE2 4.28Å; L497-F523 HydrophobicContact CD1-CE2 3.98Å; L497-T525 HydrophobicContact CB-CG2 3.65Å; L497-T525 HydrophobicContact CD1-CG2 3.83Å; L497-T525 HydrophobicContact CG-CG2 4.43Å |
| 498 | E | 77.4 | Confident | 83.7 | Confident | 103 Ų | 103 | 51 Ų | 51 | 48% | 0.481 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -81.1 | 134.5 | 173.6 | -76.4 | 167.3 | -154.8 | 0 | 0 | 110.1 | K473 V501 Y503 T525 | K473-E498 IonicContact NZ-OE1 3.43Å; K473-E498 PolarHBondContact NZ-OE1 3.12Å; K473-E498 IonicContact NZ-OE2 2.96Å; K473-E498 PolarHBondContact NZ-OE2 2.96Å; E498-V501 HydrophobicContact CB-CB 4.29Å; E498-V501 HydrophobicContact CB-CG2 3.62Å; E498-Y503 PolarHBondContact N-OH 3.05Å; E498-T525 WeakPolarHBondContact O-CB 3.31Å; E498-T525 PolarHBondContact O-OG1 3.4Å |
| 499 | S | 72.3 | Confident | 83.5 | Confident | 47 Ų | 47 | 45.2 Ų | 45.2 | 33% | 0.329 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | 135 | 177.7 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | M445 L526 | M445-S499 WeakPolarHBondContact O-CA 3.32Å; M445-S499 WeakPolarHBondContact O-CB 3.31Å; M445-S499 PolarHBondContact O-N 2.64Å; S499-L526 PolarHBondContact OG-O 3.34Å |
| 500 | G | 72.6 | Confident | 83.3 | Confident | 40 Ų | 40 | 43.7 Ų | 43.7 | 41% | 0.412 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 19.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | T525 L526 | G500-T525 PolarHBondContact N-O 2.98Å; G500-T525 PolarHBondContact N-OG1 2.87Å; G500-L526 PolarHBondContact N-O 2.86Å |
| 501 | V | 78.6 | Confident | 82.8 | Confident | 29 Ų | 29 | 40.1 Ų | 40.1 | 18% | 0.176 | 22% | 0.219 | C | C | . | . | trans | -108 | 140.2 | -177.6 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | K473 E498 Y503 T525 | K473-V501 HydrophobicContact CB-CG1 4.36Å; K473-V501 HydrophobicContact CD-CG1 4.11Å; K473-V501 HydrophobicContact CG-CG1 3.98Å; E498-V501 HydrophobicContact CB-CB 4.29Å; E498-V501 HydrophobicContact CB-CG2 3.62Å; V501-Y503 HydrophobicContact CB-CD2 4.35Å; V501-Y503 HydrophobicContact CB-CE2 3.73Å; V501-Y503 HydrophobicContact CG1-CD2 4.09Å; V501-Y503 HydrophobicContact CG1-CE2 3.61Å; V501-Y503 WeakPolarHBondContact O-CD2 3.39Å; V501-T525 PolarHBondContact N-OG1 3.3Å; V501-T525 PolarHBondContact O-N 2.87Å; V501-T525 PolarHBondContact O-OG1 2.97Å | ||
| 502 | V | 78.8 | Confident | 82 | Confident | 40 Ų | 40 | 41.3 Ų | 41.3 | 24% | 0.242 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 126 | 176.4 | -174.4 | 0 | 0 | 0 | 0 | 110.4 | Q474 T522 N524 | Q474-V502 HydrophobicContact CB-CB 4.13Å; Q474-V502 HydrophobicContact CB-CG1 4.11Å; Q474-V502 PolarHBondContact N-O 2.98Å; V502-T522 HydrophobicContact CG1-CG2 3.42Å; V502-T522 VanDerWaalsContact CG1-CG2 3.42Å; V502-N524 VanDerWaalsContact CG1-OD1 3.32Å; V502-N524 WeakPolarHBondContact CG1-OD1 3.36Å; V502-N524 WeakPolarHBondContact CG2-OD1 3.46Å |
| 503 | Y | 83.2 | Confident | 80.6 | Confident | 12 Ų | 12 | 49.7 Ų | 49.7 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 143.4 | 177.8 | -72.3 | -96.8 | 0 | 0 | 0 | 111 | Y471 W472 K473 L497 E498 V501 T522 F523 T525 | Y471-Y503 HydrophobicContact CD2-CD1 4.08Å; Y471-Y503 HydrophobicContact CD2-CE1 4.33Å; W472-Y503 CarbonylContact O-C 3.41Å; W472-Y503 VanDerWaalsContact O-CA 3.28Å; W472-Y503 WeakPolarHBondContact O-CA 3.32Å; K473-Y503 HydrophobicContact CB-CE1 4.45Å; K473-Y503 HydrophobicContact CD-CE1 4.47Å; K473-Y503 WeakPolarHBondContact CE-OH 3.39Å; K473-Y503 HydrophobicContact CG-CD1 3.98Å; K473-Y503 HydrophobicContact CG-CE1 3.41Å; K473-Y503 VanDerWaalsContact CG-CE1 3.41Å; L497-Y503 HydrophobicContact CB-CE2 4.24Å; L497-Y503 HydrophobicContact CD2-CE1 3.96Å; L497-Y503 HydrophobicContact CD2-CE2 4.28Å; E498-Y503 PolarHBondContact N-OH 3.05Å; V501-Y503 HydrophobicContact CB-CD2 4.35Å; V501-Y503 HydrophobicContact CB-CE2 3.73Å; V501-Y503 HydrophobicContact CG1-CD2 4.09Å; V501-Y503 HydrophobicContact CG1-CE2 3.61Å; V501-Y503 WeakPolarHBondContact O-CD2 3.39Å; Y503-T522 CarbonylContact O-C 3.4Å; Y503-T522 VanDerWaalsContact O-CA 3.32Å; Y503-T522 WeakPolarHBondContact O-CA 3.41Å; Y503-T522 WeakPolarHBondContact O-CG2 3.19Å; Y503-F523 VanDerWaalsContact CB-CZ 3.42Å; Y503-F523 HydrophobicContact CD2-CE2 4.32Å; Y503-F523 HydrophobicContact CG-CE2 4.18Å; Y503-F523 HydrophobicContact CG-CZ 4.13Å; Y503-F523 PolarHBondContact N-O 3.09Å; Y503-F523 PolarHBondContact O-N 3.28Å; Y503-T525 HydrophobicContact CE2-CG2 4.41Å |
| 504 | Y | 84.5 | Confident | 79.4 | Confident | 62 Ų | 62 | 47 Ų | 47 | 24% | 0.243 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 147 | 162.9 | -67.3 | -71.2 | 0 | 0 | 0 | 109.5 | Y471 W472 Q474 I520 I521 T522 | Y471-Y504 CarbonylContact C-O 3.59Å; Y471-Y504 WeakPolarHBondContact CA-O 3.29Å; Y471-Y504 WeakPolarHBondContact CB-O 3.38Å; W472-Y504 AromaticContact CD1-CD2 3.82Å; W472-Y504 VanDerWaalsContact CE2-CB 3.41Å; W472-Y504 HydrophobicContact CZ2-CG 4.23Å; W472-Y504 PolarHBondContact N-O 2.82Å; W472-Y504 AromaticContact NE1-CD2 3.35Å; W472-Y504 VanDerWaalsContact NE1-CD2 3.35Å; W472-Y504 AromaticContact NE1-CG 3.8Å; W472-Y504 PolarHBondContact O-N 3.25Å; Q474-Y504 HydrophobicContact CB-CD2 4.11Å; Q474-Y504 HydrophobicContact CB-CE2 3.6Å; Q474-Y504 HydrophobicContact CG-CE2 3.66Å; Q474-Y504 PolarHBondContact NE2-OH 3.08Å; Y504-I520 HydrophobicContact CD1-CG2 3.96Å; Y504-I520 HydrophobicContact CG-CG2 4.31Å; Y504-I521 CarbonylContact C-O 3.53Å; Y504-I521 VanDerWaalsContact CA-O 3.26Å; Y504-I521 WeakPolarHBondContact CA-O 3.43Å; Y504-T522 HydrophobicContact CD1-CG2 3.87Å; Y504-T522 VanDerWaalsContact CD1-OG1 3.23Å; Y504-T522 WeakPolarHBondContact CD1-OG1 3.45Å; Y504-T522 HydrophobicContact CE1-CG2 3.73Å; Y504-T522 WeakPolarHBondContact CE1-OG1 3.23Å |
| 505 | A | 84.3 | Confident | 78.8 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 149.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L450 F470 I520 I521 F523 | L450-A505 HydrophobicContact CD1-CB 3.62Å; F470-A505 CarbonylContact O-C 3.56Å; F470-A505 WeakPolarHBondContact O-CA 3.16Å; F470-A505 WeakPolarHBondContact O-CB 2.99Å; A505-I520 CarbonylContact O-C 3.55Å; A505-I520 WeakPolarHBondContact O-CA 3.17Å; A505-I521 HydrophobicContact CB-CG1 4.27Å; A505-I521 PolarHBondContact N-O 2.8Å; A505-I521 WeakPolarHBondContact O-CG1 3.25Å; A505-I521 PolarHBondContact O-N 3.39Å; A505-F523 HydrophobicContact CB-CD1 4.39Å; A505-F523 HydrophobicContact CB-CE1 3.69Å |
| 506 | K | 86.3 | Confident | 78.2 | Confident | 51 Ų | 51 | 46.9 Ų | 46.9 | 22% | 0.222 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 155.2 | 168.2 | 66.1 | 174.7 | -176.8 | 173.7 | 0 | 110.6 | F470 W472 I520 | F470-K506 HydrophobicContact CB-CG 3.94Å; F470-K506 HydrophobicContact CD2-CG 4.3Å; F470-K506 PolarHBondContact N-O 2.84Å; F470-K506 PolarHBondContact O-N 3.24Å; W472-K506 HydrophobicContact CH2-CD 4.44Å; W472-K506 HydrophobicContact CH2-CG 4.3Å; W472-K506 HydrophobicContact CZ3-CG 4.17Å; K506-I520 HydrophobicContact CB-CG1 4.06Å; K506-I520 HydrophobicContact CD-CG1 4.31Å |
| 507 | V | 86.8 | Confident | 78 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 127.2 | 176.2 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | L438 W452 Y467 V469 S518 | L438-V507 HydrophobicContact CD1-CB 4.38Å; L438-V507 HydrophobicContact CD1-CG2 3.45Å; L438-V507 VanDerWaalsContact CD1-CG2 3.45Å; L438-V507 HydrophobicContact CD2-CB 4.25Å; L438-V507 HydrophobicContact CD2-CG2 3.83Å; L438-V507 HydrophobicContact CG-CG2 4.26Å; W452-V507 HydrophobicContact CD2-CB 4.33Å; W452-V507 HydrophobicContact CD2-CG1 3.85Å; W452-V507 HydrophobicContact CD2-CG2 3.91Å; W452-V507 HydrophobicContact CE3-CG1 4.38Å; W452-V507 HydrophobicContact CE3-CG2 3.65Å; W452-V507 HydrophobicContact CG-CG1 4.11Å; W452-V507 HydrophobicContact CG-CG2 4.45Å; W452-V507 HydrophobicContact CZ2-CG1 4.13Å; W452-V507 HydrophobicContact CZ3-CG2 3.99Å; Y467-V507 HydrophobicContact CD1-CG1 3.84Å; Y467-V507 HydrophobicContact CG-CG1 4.31Å; V469-V507 HydrophobicContact CG1-CG2 4.29Å; V469-V507 HydrophobicContact CG2-CG2 4.12Å; V507-S518 PolarHBondContact N-OG 2.61Å; V507-S518 VanDerWaalsContact O-CB 3.28Å; V507-S518 WeakPolarHBondContact O-CB 3.33Å; V507-S518 PolarHBondContact O-N 2.74Å; V507-S518 PolarHBondContact O-OG 2.86Å |
| 508 | Q | 87.1 | Confident | 77.7 | Confident | 29 Ų | 29 | 41.7 Ų | 41.7 | 14% | 0.136 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 125.7 | 176.3 | -174.9 | 178.4 | 40.4 | 0 | 0 | 109.3 | Y467 R468 F470 V510 S515 A516 N517 | Y467-Q508 WeakPolarHBondContact CA-O 2.98Å; R468-Q508 HydrophobicContact CB-CB 4.38Å; R468-Q508 PolarHBondContact N-O 3.44Å; R468-Q508 PolarHBondContact O-N 2.94Å; F470-Q508 HydrophobicContact CE2-CB 3.99Å; Q508-V510 HydrophobicContact CG-CG2 4.43Å; Q508-S515 PolarHBondContact NE2-OG 3.04Å; Q508-A516 WeakPolarHBondContact CA-O 3.4Å; Q508-N517 WeakPolarHBondContact CB-OD1 3.41Å; Q508-N517 VanDerWaalsContact CG-OD1 3.3Å; Q508-N517 WeakPolarHBondContact CG-OD1 3.37Å; Q508-N517 PolarHBondContact NE2-OD1 2.89Å |
| 509 | S | 81.1 | Confident | 77.5 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 128.5 | 165.4 | 44.6 | 0 | 0 | 0 | 0 | 109.3 | S515 A516 | S509-S515 CarbonylContact O-C 3.54Å; S509-S515 WeakPolarHBondContact O-CA 3.3Å; S509-S515 VanDerWaalsContact O-CB 3.23Å; S509-S515 WeakPolarHBondContact O-CB 3.17Å; S509-A516 PolarHBondContact N-O 2.95Å; S509-A516 PolarHBondContact O-N 2.91Å; S509-A516 PolarHBondContact OG-O 3.27Å |
| 510 | V | 81.1 | Confident | 77.7 | Confident | 19 Ų | 19 | 46 Ų | 46 | 12% | 0.115 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 109.7 | 177.1 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | I465 E466 R468 Q508 | I465-V510 PolarHBondContact N-O 3.27Å; E466-V510 HydrophobicContact CG-CB 3.97Å; E466-V510 HydrophobicContact CG-CG1 4.45Å; E466-V510 HydrophobicContact CG-CG2 4.24Å; E466-V510 PolarHBondContact O-N 2.79Å; R468-V510 HydrophobicContact CG-CG2 4.09Å; Q508-V510 HydrophobicContact CG-CG2 4.43Å |
| 511 | F | 77.6 | Confident | 78.1 | Confident | 13 Ų | 13 | 45.5 Ų | 45.5 | 6% | 0.057 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 171.3 | 173.7 | -61.6 | -91.8 | 0 | 0 | 0 | 110.6 | P455 W461 R463 L464 Y513 G514 | P455-F511 HydrophobicContact CB-CZ 4.39Å; P455-F511 HydrophobicContact CG-CE2 4.47Å; P455-F511 HydrophobicContact CG-CZ 4.02Å; W461-F511 HydrophobicContact CB-CB 3.8Å; W461-F511 HydrophobicContact CB-CD2 4.42Å; W461-F511 HydrophobicContact CB-CG 4.03Å; W461-F511 HydrophobicContact CE3-CD2 4.36Å; W461-F511 VanDerWaalsContact O-CB 3.31Å; W461-F511 WeakPolarHBondContact O-CB 3.2Å; R463-F511 WeakPolarHBondContact O-CA 3.25Å; L464-F511 HydrophobicContact CB-CD1 4.08Å; L464-F511 HydrophobicContact CB-CE1 4.04Å; L464-F511 HydrophobicContact CD1-CD1 4.32Å; L464-F511 HydrophobicContact CD1-CE1 4.15Å; L464-F511 HydrophobicContact CD1-CE2 4.47Å; L464-F511 HydrophobicContact CD1-CZ 4.24Å; F511-Y513 PolarHBondContact O-N 3.44Å; F511-G514 WeakPolarHBondContact CA-O 3.33Å; F511-G514 WeakPolarHBondContact CB-O 3.26Å; F511-G514 PolarHBondContact N-O 2.94Å |
| 512 | T | 70.6 | Confident | 78.2 | Confident | 67 Ų | 67 | 47.7 Ų | 47.7 | 41% | 0.411 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -58.9 | -34.2 | 180 | -38.2 | 0 | 0 | 0 | 0 | 112.9 | W461 R463 | W461-T512 PolarHBondContact O-N 2.03Å; R463-T512 PolarHBondContact N-OG1 3.33Å; R463-T512 PolarHBondContact O-N 2.47Å; R463-T512 PolarHBondContact O-OG1 2.72Å |
| 513 | Y | 61.9 | Low | 78.2 | Confident | 190 Ų | 190 | 46.3 Ų | 46.3 | 75% | 0.745 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -117 | 4.3 | -175 | -53.6 | -61.8 | 0 | 0 | 0 | 114.7 | W461 F511 | W461-Y513 VanDerWaalsContact C-CD2 3.48Å; W461-Y513 VanDerWaalsContact O-CD2 3.24Å; W461-Y513 WeakPolarHBondContact O-CD2 3.32Å; W461-Y513 PolarHBondContact O-N 3.21Å; F511-Y513 PolarHBondContact O-N 3.44Å |
| 514 | G | 64.1 | Low | 78 | Confident | 24 Ų | 24 | 50.2 Ų | 50.2 | 25% | 0.247 | 26% | 0.26 | C | S | . | . | trans | 179 | 177.6 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | F511 | F511-G514 WeakPolarHBondContact CA-O 3.33Å; F511-G514 WeakPolarHBondContact CB-O 3.26Å; F511-G514 PolarHBondContact N-O 2.94Å | ||
| 515 | S | 75 | Confident | 77.7 | Confident | 55 Ų | 55 | 47.5 Ų | 47.5 | 39% | 0.385 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 145.8 | 178.5 | 63.6 | 0 | 0 | 0 | 0 | 112.1 | Q508 S509 | Q508-S515 PolarHBondContact NE2-OG 3.04Å; S509-S515 CarbonylContact O-C 3.54Å; S509-S515 WeakPolarHBondContact O-CA 3.3Å; S509-S515 VanDerWaalsContact O-CB 3.23Å; S509-S515 WeakPolarHBondContact O-CB 3.17Å |
| 516 | A | 72.5 | Confident | 77 | Confident | 15 Ų | 15 | 48.3 Ų | 48.3 | 12% | 0.124 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 135 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110 | N433 Q508 S509 | N433-A516 VanDerWaalsContact O-CB 3.28Å; N433-A516 WeakPolarHBondContact O-CB 3.45Å; Q508-A516 WeakPolarHBondContact CA-O 3.4Å; S509-A516 PolarHBondContact N-O 2.95Å; S509-A516 PolarHBondContact O-N 2.91Å; S509-A516 PolarHBondContact OG-O 3.27Å |
| 517 | N | 76.7 | Confident | 76.1 | Confident | 69 Ų | 69 | 47.6 Ų | 47.6 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 141.4 | 179.1 | -68.3 | -42.3 | 0 | 0 | 0 | 110 | Q434 Q508 | Q434-N517 WeakPolarHBondContact CB-O 3.4Å; Q508-N517 WeakPolarHBondContact CB-OD1 3.41Å; Q508-N517 VanDerWaalsContact CG-OD1 3.3Å; Q508-N517 WeakPolarHBondContact CG-OD1 3.37Å; Q508-N517 PolarHBondContact NE2-OD1 2.89Å |
| 518 | S | 79 | Confident | 75.1 | Confident | 11 Ų | 11 | 54.1 Ų | 54.1 | 8% | 0.077 | 28% | 0.284 | C | S | . | . | trans | -67.9 | 174.8 | 161.4 | 73.1 | 0 | 0 | 0 | 0 | 110.8 | L438 V507 | L438-S518 VanDerWaalsContact CD2-OG 3.3Å; L438-S518 WeakPolarHBondContact CD2-OG 3.34Å; V507-S518 PolarHBondContact N-OG 2.61Å; V507-S518 VanDerWaalsContact O-CB 3.28Å; V507-S518 WeakPolarHBondContact O-CB 3.33Å; V507-S518 PolarHBondContact O-N 2.74Å; V507-S518 PolarHBondContact O-OG 2.86Å | ||
| 519 | E | 72.8 | Confident | 74.5 | Confident | 143 Ų | 143 | 53.5 Ų | 53.5 | 67% | 0.668 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 152.8 | 160.2 | -62.3 | -179.2 | 176.8 | 0 | 0 | 110.6 | ||
| 520 | I | 77.7 | Confident | 74.3 | Confident | 96 Ų | 96 | 59.1 Ų | 59.1 | 49% | 0.492 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -84.9 | 125.7 | 172.9 | -59.7 | 169.7 | 0 | 0 | 0 | 107.3 | W472 Y504 A505 K506 | W472-I520 HydrophobicContact CH2-CD1 4.15Å; W472-I520 HydrophobicContact CH2-CG1 4.29Å; W472-I520 HydrophobicContact CH2-CG2 4.01Å; W472-I520 HydrophobicContact CZ2-CD1 4.26Å; W472-I520 HydrophobicContact CZ2-CG2 4.06Å; Y504-I520 HydrophobicContact CD1-CG2 3.96Å; Y504-I520 HydrophobicContact CG-CG2 4.31Å; A505-I520 CarbonylContact O-C 3.55Å; A505-I520 WeakPolarHBondContact O-CA 3.17Å; K506-I520 HydrophobicContact CB-CG1 4.06Å; K506-I520 HydrophobicContact CD-CG1 4.31Å |
| 521 | I | 80 | Confident | 74.4 | Confident | 31 Ų | 31 | 58.9 Ų | 58.9 | 16% | 0.159 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 162.6 | 171.9 | 62.9 | 159.9 | 0 | 0 | 0 | 110.8 | L438 V440 L450 Y504 A505 | L438-I521 HydrophobicContact CB-CG2 4.38Å; L438-I521 HydrophobicContact CD1-CD1 4.27Å; L438-I521 HydrophobicContact CD2-CD1 4.24Å; L438-I521 HydrophobicContact CD2-CG1 3.88Å; L438-I521 HydrophobicContact CD2-CG2 4.24Å; L438-I521 HydrophobicContact CG-CD1 3.79Å; L438-I521 HydrophobicContact CG-CG1 3.94Å; L438-I521 HydrophobicContact CG-CG2 4.08Å; L438-I521 WeakPolarHBondContact O-CG2 3.27Å; V440-I521 HydrophobicContact CG2-CD1 3.9Å; L450-I521 HydrophobicContact CD2-CD1 4.05Å; Y504-I521 CarbonylContact C-O 3.53Å; Y504-I521 VanDerWaalsContact CA-O 3.26Å; Y504-I521 WeakPolarHBondContact CA-O 3.43Å; A505-I521 HydrophobicContact CB-CG1 4.27Å; A505-I521 PolarHBondContact N-O 2.8Å; A505-I521 WeakPolarHBondContact O-CG1 3.25Å; A505-I521 PolarHBondContact O-N 3.39Å |
| 522 | T | 80.8 | Confident | 74.9 | Confident | 75 Ų | 75 | 63.2 Ų | 63.2 | 46% | 0.46 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 140 | 176.2 | -41.2 | 0 | 0 | 0 | 0 | 109.2 | V502 Y503 Y504 | V502-T522 HydrophobicContact CG1-CG2 3.42Å; V502-T522 VanDerWaalsContact CG1-CG2 3.42Å; Y503-T522 CarbonylContact O-C 3.4Å; Y503-T522 VanDerWaalsContact O-CA 3.32Å; Y503-T522 WeakPolarHBondContact O-CA 3.41Å; Y503-T522 WeakPolarHBondContact O-CG2 3.19Å; Y504-T522 HydrophobicContact CD1-CG2 3.87Å; Y504-T522 VanDerWaalsContact CD1-OG1 3.23Å; Y504-T522 WeakPolarHBondContact CD1-OG1 3.45Å; Y504-T522 HydrophobicContact CE1-CG2 3.73Å; Y504-T522 WeakPolarHBondContact CE1-OG1 3.23Å |
| 523 | F | 79 | Confident | 75.7 | Confident | 10 Ų | 10 | 63.2 Ų | 63.2 | 4% | 0.044 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 156.4 | 176.9 | 65.8 | -88.3 | 0 | 0 | 0 | 112.3 | V440 C448 L450 L494 L497 Y503 A505 | V440-F523 HydrophobicContact CG2-CB 3.48Å; V440-F523 VanDerWaalsContact CG2-CB 3.48Å; V440-F523 HydrophobicContact CG2-CD1 4.15Å; V440-F523 HydrophobicContact CG2-CG 3.93Å; C448-F523 HydrophobicContact CB-CD2 4Å; C448-F523 HydrophobicContact CB-CE2 3.75Å; C448-F523 VanDerWaalsContact SG-CD2 3.53Å; L450-F523 HydrophobicContact CD1-CE1 4.41Å; L450-F523 HydrophobicContact CD2-CD1 4.17Å; L450-F523 HydrophobicContact CD2-CE1 4.19Å; L494-F523 HydrophobicContact CD1-CE1 4.24Å; L494-F523 HydrophobicContact CD1-CE2 4.24Å; L494-F523 HydrophobicContact CD1-CZ 3.51Å; L497-F523 HydrophobicContact CD1-CE2 3.98Å; Y503-F523 VanDerWaalsContact CB-CZ 3.42Å; Y503-F523 HydrophobicContact CD2-CE2 4.32Å; Y503-F523 HydrophobicContact CG-CE2 4.18Å; Y503-F523 HydrophobicContact CG-CZ 4.13Å; Y503-F523 PolarHBondContact N-O 3.09Å; Y503-F523 PolarHBondContact O-N 3.28Å; A505-F523 HydrophobicContact CB-CD1 4.39Å; A505-F523 HydrophobicContact CB-CE1 3.69Å |
| 524 | N | 79.1 | Confident | 77.1 | Confident | 94 Ų | 94 | 57.4 Ų | 57.4 | 50% | 0.503 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 137.3 | -175.3 | -61 | -0.4 | 0 | 0 | 0 | 110.2 | V502 | V502-N524 VanDerWaalsContact CG1-OD1 3.32Å; V502-N524 WeakPolarHBondContact CG1-OD1 3.36Å; V502-N524 WeakPolarHBondContact CG2-OD1 3.46Å |
| 525 | T | 78.6 | Confident | 78.2 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 151.7 | 168.4 | 50.5 | 0 | 0 | 0 | 0 | 111.3 | M445 L497 E498 G500 V501 Y503 | M445-T525 WeakPolarHBondContact O-CB 3.21Å; L497-T525 HydrophobicContact CB-CG2 3.65Å; L497-T525 HydrophobicContact CD1-CG2 3.83Å; L497-T525 HydrophobicContact CG-CG2 4.43Å; E498-T525 WeakPolarHBondContact O-CB 3.31Å; E498-T525 PolarHBondContact O-OG1 3.4Å; G500-T525 PolarHBondContact N-O 2.98Å; G500-T525 PolarHBondContact N-OG1 2.87Å; V501-T525 PolarHBondContact N-OG1 3.3Å; V501-T525 PolarHBondContact O-N 2.87Å; V501-T525 PolarHBondContact O-OG1 2.97Å; Y503-T525 HydrophobicContact CE2-CG2 4.41Å |
| 526 | L | 69.6 | Low | 79 | Confident | 17 Ų | 17 | 61.2 Ų | 61.2 | 9% | 0.089 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 143.3 | -176.8 | -61.2 | -179.2 | 0 | 0 | 0 | 112.1 | C443 G444 M445 S499 G500 S612 | C443-L526 WeakPolarHBondContact O-CD1 3.25Å; C443-L526 WeakPolarHBondContact O-CG 3.29Å; G444-L526 PolarHBondContact O-N 3.4Å; G444-L526 VanDerWaalsContact O-N 3.07Å; M445-L526 HydrophobicContact CG-CB 4.41Å; S499-L526 PolarHBondContact OG-O 3.34Å; G500-L526 PolarHBondContact N-O 2.86Å; L526-S612 WeakPolarHBondContact CD2-O 3.34Å |
| 527 | T | 66.9 | Low | 79.8 | Confident | 36 Ų | 36 | 62 Ų | 62 | 22% | 0.221 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 140.7 | 176.4 | 56.5 | 0 | 0 | 0 | 0 | 112.2 | V613 G614 S615 | T527-V613 PolarHBondContact N-O 2.85Å; T527-V613 PolarHBondContact OG1-O 2.82Å; T527-V613 VanDerWaalsContact OG1-O 3.06Å; T527-G614 WeakPolarHBondContact O-CA 3.41Å; T527-S615 PolarHBondContact O-N 3.05Å |
| 528 | Q | 66 | Low | 80.5 | Confident | 137 Ų | 137 | 62.8 Ų | 62.8 | 64% | 0.64 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 137.2 | 176.3 | -171.1 | 178.6 | -0.8 | 0 | 0 | 111.5 | ||
| 529 | F | 75.2 | Confident | 81.1 | Confident | 16 Ų | 16 | 63.4 Ų | 63.4 | 7% | 0.07 | 33% | 0.325 | C | S | . | . | trans | -129.9 | 161.8 | 170.4 | 58.9 | -92 | 0 | 0 | 0 | 111.2 | V531 W545 F547 V603 A605 S616 | F529-V531 HydrophobicContact CD2-CG2 4.27Å; F529-V531 HydrophobicContact CE2-CG2 3.88Å; F529-W545 HydrophobicContact CD2-CB 3.97Å; F529-W545 AromaticContact CD2-CD1 3.98Å; F529-W545 HydrophobicContact CD2-CG 4.28Å; F529-W545 HydrophobicContact CE2-CB 3.91Å; F529-W545 AromaticContact CE2-CD1 3.51Å; F529-W545 AromaticContact CE2-CG 3.84Å; F529-W545 HydrophobicContact CE2-CG 3.84Å; F529-F547 HydrophobicContact CB-CD2 4.24Å; F529-F547 AromaticContact CD1-CD2 3.44Å; F529-F547 HydrophobicContact CD1-CD2 3.44Å; F529-F547 VanDerWaalsContact CD1-CD2 3.44Å; F529-F547 AromaticContact CD1-CE2 3.75Å; F529-F547 HydrophobicContact CD1-CE2 3.75Å; F529-F547 AromaticContact CE1-CD2 3.89Å; F529-F547 HydrophobicContact CE1-CD2 3.89Å; F529-F547 HydrophobicContact CE1-CE2 4.11Å; F529-F547 AromaticContact CG-CD2 3.9Å; F529-F547 HydrophobicContact CG-CD2 3.9Å; F529-V603 HydrophobicContact CE2-CB 4.25Å; F529-V603 HydrophobicContact CE2-CG1 4.1Å; F529-V603 HydrophobicContact CZ-CB 4.21Å; F529-V603 HydrophobicContact CZ-CG1 3.97Å; F529-V603 WeakPolarHBondContact CZ-O 3.5Å; F529-A605 HydrophobicContact CE1-CB 4.22Å; F529-S616 WeakPolarHBondContact O-CB 3.39Å; F529-S616 PolarHBondContact O-OG 3.1Å | ||
| 530 | N | 76 | Confident | 82 | Confident | 118 Ų | 118 | 59.2 Ų | 59.2 | 63% | 0.631 | 31% | 0.306 | S | S | * | . | trans | -88.5 | 125 | -176.7 | -82.3 | -20.9 | 0 | 0 | 0 | 112.1 | W545 | N530-W545 WeakPolarHBondContact O-CA 3.06Å; N530-W545 WeakPolarHBondContact O-CB 3.34Å | ||
| 531 | V | 83.5 | Confident | 82.7 | Confident | 15 Ų | 15 | 54.7 Ų | 54.7 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 126.2 | 168.1 | 180 | 0 | 0 | 0 | 0 | 108.3 | F529 I543 Q544 W545 V603 L618 | F529-V531 HydrophobicContact CD2-CG2 4.27Å; F529-V531 HydrophobicContact CE2-CG2 3.88Å; V531-I543 HydrophobicContact CG1-CB 4.23Å; V531-I543 HydrophobicContact CG1-CD1 4.46Å; V531-Q544 CarbonylContact C-O 3.5Å; V531-Q544 WeakPolarHBondContact CA-O 3.07Å; V531-W545 HydrophobicContact CB-CB 4.48Å; V531-W545 HydrophobicContact CG2-CB 3.92Å; V531-V603 HydrophobicContact CG1-CG2 4.29Å; V531-V603 HydrophobicContact CG2-CB 4.1Å; V531-V603 HydrophobicContact CG2-CG2 3.88Å; V531-L618 HydrophobicContact CB-CB 4.42Å; V531-L618 HydrophobicContact CG1-CB 3.95Å; V531-L618 HydrophobicContact CG1-CD2 4.21Å |
| 532 | Q | 87.2 | Confident | 83.3 | Confident | 104 Ų | 104 | 54.9 Ų | 54.9 | 49% | 0.486 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 144.7 | -177.1 | -65.6 | 179.8 | -14.2 | 0 | 0 | 110.9 | I543 Q544 | Q532-I543 CarbonylContact O-C 3.54Å; Q532-I543 WeakPolarHBondContact O-CA 3.43Å; Q532-Q544 HydrophobicContact CB-CG 3.93Å; Q532-Q544 PolarHBondContact N-O 2.84Å; Q532-Q544 PolarHBondContact O-N 3.42Å |
| 533 | L | 88.8 | Confident | 83.8 | Confident | 66 Ų | 66 | 51.3 Ų | 51.3 | 35% | 0.346 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 122.8 | 170 | -174.7 | 65.3 | 0 | 0 | 0 | 109.3 | I541 L618 A620 | L533-I541 HydrophobicContact CD1-CG2 3.61Å; L533-L618 HydrophobicContact CB-CD2 3.99Å; L533-L618 HydrophobicContact CD1-CD2 4.5Å; L533-A620 HydrophobicContact CD1-CB 4.03Å; L533-A620 HydrophobicContact CD2-CB 4.32Å |
| 534 | V | 89.6 | Confident | 84.4 | Confident | 68 Ų | 68 | 53.6 Ų | 53.6 | 41% | 0.412 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -47.9 | 176.9 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | M542 Q544 L587 | V534-M542 HydrophobicContact CB-CB 4.12Å; V534-M542 PolarHBondContact N-O 3.42Å; V534-Q544 HydrophobicContact CG2-CB 3.47Å; V534-Q544 VanDerWaalsContact CG2-CB 3.47Å; V534-Q544 VanDerWaalsContact CG2-CD 3.49Å; V534-Q544 HydrophobicContact CG2-CG 3.35Å; V534-L587 HydrophobicContact CB-CD1 3.95Å; V534-L587 HydrophobicContact CG1-CD1 3.92Å; V534-L587 HydrophobicContact CG2-CD1 3.57Å |
| 535 | N | 89 | Confident | 84.8 | Confident | 103 Ų | 103 | 49.2 Ų | 49.2 | 55% | 0.551 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 160.8 | 180 | -161.3 | 4.4 | 0 | 0 | 0 | 109.8 | M542 | N535-M542 HydrophobicContact CB-CB 4.06Å; N535-M542 HydrophobicContact CB-CG 4.1Å; N535-M542 PolarHBondContact N-O 3.43Å; N535-M542 WeakPolarHBondContact O-CB 3.4Å; N535-M542 PolarHBondContact O-N 3Å |
| 536 | R | 90.2 | Very high | 84.9 | Confident | 57 Ų | 57 | 52.3 Ų | 52.3 | 22% | 0.215 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 147.2 | 174.3 | 57 | 174.4 | 173.9 | -161.8 | -1.9 | 109.9 | E540 W621 D752 | R536-E540 CarbonylContact C-O 3.48Å; R536-E540 WeakPolarHBondContact CA-O 3.42Å; R536-W621 WeakPolarHBondContact CD-O 3.48Å; R536-D752 IonicContact CZ-OD2 2.75Å; R536-D752 IonicContact NH1-OD2 2.69Å; R536-D752 PolarHBondContact NH1-OD2 3.48Å; R536-D752 PolarHBondContact NH2-O 3Å; R536-D752 IonicContact NH2-OD2 2.83Å |
| 537 | S | 91.1 | Very high | 85.4 | Confident | 32 Ų | 32 | 51.9 Ų | 51.9 | 22% | 0.224 | 26% | 0.262 | C | S | . | . | trans | -127.5 | -174.9 | 169.6 | 79.7 | 0 | 0 | 0 | 0 | 109 | S539 E540 S623 | S537-S539 PolarHBondContact O-N 3.29Å; S537-S539 PolarHBondContact OG-N 2.7Å; S537-E540 PolarHBondContact N-O 3.27Å; S537-E540 WeakPolarHBondContact OG-CB 3.48Å; S537-E540 PolarHBondContact OG-N 3.37Å; S537-E540 VanDerWaalsContact OG-N 3.08Å; S537-S623 PolarHBondContact O-N 3.3Å | ||
| 538 | Y | 90.4 | Very high | 85.7 | Confident | 84 Ų | 84 | 56.6 Ų | 56.6 | 33% | 0.329 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -69.7 | -15.7 | 177.4 | 69 | -92.4 | 0 | 0 | 0 | 114.2 | A595 S623 P624 A625 P626 N629 | Y538-A595 WeakPolarHBondContact O-CA 3.03Å; Y538-A595 VanDerWaalsContact O-CB 3.27Å; Y538-A595 WeakPolarHBondContact O-CB 3.45Å; Y538-A595 PolarHBondContact O-N 3.01Å; Y538-S623 WeakPolarHBondContact CA-O 3.18Å; Y538-S623 WeakPolarHBondContact CB-O 3.3Å; Y538-P624 VanDerWaalsContact CB-O 3.26Å; Y538-P624 WeakPolarHBondContact CB-O 3.26Å; Y538-A625 HydrophobicContact CD2-CB 4.09Å; Y538-A625 HydrophobicContact CG-CB 4.3Å; Y538-P626 HydrophobicContact CD1-CG 3.96Å; Y538-P626 HydrophobicContact CE1-CG 3.91Å; Y538-N629 PolarHBondContact OH-ND2 3.33Å |
| 539 | S | 90.6 | Very high | 85.9 | Confident | 24 Ų | 24 | 54.7 Ų | 54.7 | 17% | 0.168 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -132.1 | 0.9 | -178.9 | 55.8 | 0 | 0 | 0 | 0 | 114 | S537 S591 N592 L593 | S537-S539 PolarHBondContact O-N 3.29Å; S537-S539 PolarHBondContact OG-N 2.7Å; S539-S591 CarbonylContact O-C 3.53Å; S539-N592 PolarHBondContact O-N 3Å; S539-N592 VanDerWaalsContact O-N 3.09Å; S539-L593 VanDerWaalsContact CA-O 3.28Å; S539-L593 WeakPolarHBondContact CA-O 3.27Å; S539-L593 WeakPolarHBondContact O-CB 3.33Å; S539-L593 PolarHBondContact O-N 2.87Å |
| 540 | E | 92.1 | Very high | 85.6 | Confident | 56 Ų | 56 | 59.3 Ų | 59.3 | 26% | 0.262 | 31% | 0.307 | S | S | . | . | trans | -143.9 | 142.9 | -170.2 | -44.2 | 177.9 | 129.7 | 0 | 0 | 111.7 | R536 S537 K589 I590 | R536-E540 CarbonylContact C-O 3.48Å; R536-E540 WeakPolarHBondContact CA-O 3.42Å; S537-E540 PolarHBondContact N-O 3.27Å; S537-E540 WeakPolarHBondContact OG-CB 3.48Å; S537-E540 PolarHBondContact OG-N 3.37Å; S537-E540 VanDerWaalsContact OG-N 3.08Å; E540-K589 WeakPolarHBondContact OE1-CE 3.32Å; E540-K589 IonicContact OE1-NZ 2.59Å; E540-K589 PolarHBondContact OE1-NZ 3.3Å; E540-K589 WeakPolarHBondContact OE2-CE 3.33Å; E540-K589 IonicContact OE2-NZ 2.76Å; E540-K589 PolarHBondContact OE2-NZ 3.49Å; E540-I590 CarbonylContact C-O 3.54Å; E540-I590 WeakPolarHBondContact CA-O 2.86Å | ||
| 541 | I | 93.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 129.4 | 172.2 | -66.1 | 174.5 | 0 | 0 | 0 | 108.4 | L533 I543 I590 L593 Y599 I601 A620 T622 | L533-I541 HydrophobicContact CD1-CG2 3.61Å; I541-I543 HydrophobicContact CG2-CG2 3.93Å; I541-I590 PolarHBondContact N-O 3.37Å; I541-I590 PolarHBondContact O-N 2.91Å; I541-L593 HydrophobicContact CB-CD1 4.15Å; I541-L593 HydrophobicContact CD1-CD1 3.83Å; I541-L593 HydrophobicContact CG1-CD1 3.83Å; I541-Y599 HydrophobicContact CD1-CD2 4.01Å; I541-I601 HydrophobicContact CB-CD1 4.47Å; I541-I601 HydrophobicContact CD1-CD1 4.33Å; I541-I601 HydrophobicContact CG2-CD1 3.78Å; I541-A620 HydrophobicContact CD1-CB 4.17Å; I541-T622 HydrophobicContact CD1-CG2 3.95Å; I541-T622 HydrophobicContact CG1-CG2 3.97Å |
| 542 | M | 92.4 | Very high | 84.9 | Confident | 35 Ų | 35 | 55.4 Ų | 55.4 | 17% | 0.172 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 120.1 | 174.2 | -62.9 | -66.9 | -56.4 | 0 | 0 | 109.2 | V534 N535 L587 Y588 K589 | V534-M542 HydrophobicContact CB-CB 4.12Å; V534-M542 PolarHBondContact N-O 3.42Å; N535-M542 HydrophobicContact CB-CB 4.06Å; N535-M542 HydrophobicContact CB-CG 4.1Å; N535-M542 PolarHBondContact N-O 3.43Å; N535-M542 WeakPolarHBondContact O-CB 3.4Å; N535-M542 PolarHBondContact O-N 3Å; M542-L587 HydrophobicContact CE-CD1 4.06Å; M542-L587 HydrophobicContact CE-CD2 3.45Å; M542-L587 VanDerWaalsContact CE-CD2 3.45Å; M542-L587 HydrophobicContact CE-CG 3.57Å; M542-Y588 WeakPolarHBondContact CA-O 3.06Å; M542-K589 HydrophobicContact CE-CB 3.96Å; M542-K589 VanDerWaalsContact SD-CA 3.53Å; M542-K589 HydrophobicContact SD-CB 3.24Å; M542-K589 WeakPolarHBondContact SD-CB 3.45Å; M542-K589 HydrophobicContact SD-CD 3.55Å; M542-K589 VanDerWaalsContact SD-CD 3.55Å; M542-K589 HydrophobicContact SD-CG 3.25Å; M542-K589 WeakPolarHBondContact SD-CG 3.48Å |
| 543 | I | 92.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 150.7 | 175.1 | 65.8 | -178.5 | 0 | 0 | 0 | 110.1 | V531 Q532 I541 W545 I556 L587 Y588 I601 V603 L618 | V531-I543 HydrophobicContact CG1-CB 4.23Å; V531-I543 HydrophobicContact CG1-CD1 4.46Å; Q532-I543 CarbonylContact O-C 3.54Å; Q532-I543 WeakPolarHBondContact O-CA 3.43Å; I541-I543 HydrophobicContact CG2-CG2 3.93Å; I543-W545 HydrophobicContact CD1-CE3 4.25Å; I543-W545 HydrophobicContact CD1-CZ3 3.99Å; I543-W545 HydrophobicContact CG1-CE3 4.12Å; I543-W545 HydrophobicContact CG1-CZ3 3.88Å; I543-I556 HydrophobicContact CD1-CD1 4.43Å; I543-I556 HydrophobicContact CD1-CG2 4.23Å; I543-L587 CarbonylContact O-C 3.52Å; I543-L587 WeakPolarHBondContact O-CA 3.49Å; I543-Y588 PolarHBondContact N-O 3.12Å; I543-Y588 PolarHBondContact O-N 3.2Å; I543-I601 HydrophobicContact CD1-CG2 3.71Å; I543-I601 HydrophobicContact CG2-CD1 3.91Å; I543-V603 HydrophobicContact CD1-CG2 3.91Å; I543-L618 HydrophobicContact CG2-CD2 3.84Å |
| 544 | Q | 90 | Very high | 84.5 | Confident | 59 Ų | 59 | 48.5 Ų | 48.5 | 28% | 0.276 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 150.2 | 165.8 | 70.6 | -178.3 | -5.2 | 0 | 0 | 112 | V531 Q532 V534 I585 R586 L587 | V531-Q544 CarbonylContact C-O 3.5Å; V531-Q544 WeakPolarHBondContact CA-O 3.07Å; Q532-Q544 HydrophobicContact CB-CG 3.93Å; Q532-Q544 PolarHBondContact N-O 2.84Å; Q532-Q544 PolarHBondContact O-N 3.42Å; V534-Q544 HydrophobicContact CG2-CB 3.47Å; V534-Q544 VanDerWaalsContact CG2-CB 3.47Å; V534-Q544 VanDerWaalsContact CG2-CD 3.49Å; V534-Q544 HydrophobicContact CG2-CG 3.35Å; Q544-I585 HydrophobicContact CB-CG2 4.48Å; Q544-R586 CarbonylContact C-O 3.46Å; Q544-R586 WeakPolarHBondContact CA-O 3.23Å; Q544-R586 WeakPolarHBondContact CB-O 3.21Å; Q544-L587 HydrophobicContact CB-CD1 4.14Å |
| 545 | W | 87.5 | Confident | 84.3 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 152.1 | 170.7 | 66 | 98.2 | 0 | 0 | 0 | 110.2 | F529 N530 V531 I543 F554 I556 L578 I585 R586 V603 | F529-W545 HydrophobicContact CD2-CB 3.97Å; F529-W545 AromaticContact CD2-CD1 3.98Å; F529-W545 HydrophobicContact CD2-CG 4.28Å; F529-W545 HydrophobicContact CE2-CB 3.91Å; F529-W545 AromaticContact CE2-CD1 3.51Å; F529-W545 AromaticContact CE2-CG 3.84Å; F529-W545 HydrophobicContact CE2-CG 3.84Å; N530-W545 WeakPolarHBondContact O-CA 3.06Å; N530-W545 WeakPolarHBondContact O-CB 3.34Å; V531-W545 HydrophobicContact CB-CB 4.48Å; V531-W545 HydrophobicContact CG2-CB 3.92Å; I543-W545 HydrophobicContact CD1-CE3 4.25Å; I543-W545 HydrophobicContact CD1-CZ3 3.99Å; I543-W545 HydrophobicContact CG1-CE3 4.12Å; I543-W545 HydrophobicContact CG1-CZ3 3.88Å; W545-F554 HydrophobicContact CZ2-CB 4.12Å; W545-F554 HydrophobicContact CZ2-CD1 4.25Å; W545-F554 HydrophobicContact CZ2-CD2 4.39Å; W545-F554 HydrophobicContact CZ2-CG 4Å; W545-F554 AromaticContact NE1-CD1 3.45Å; W545-F554 AromaticContact NE1-CE1 3.33Å; W545-F554 VanDerWaalsContact NE1-CE1 3.33Å; W545-F554 AromaticContact NE1-CG 3.99Å; W545-F554 AromaticContact NE1-CZ 3.8Å; W545-I556 HydrophobicContact CH2-CD1 3.7Å; W545-I556 HydrophobicContact CH2-CG1 4.4Å; W545-I556 HydrophobicContact CZ3-CD1 4.07Å; W545-L578 HydrophobicContact CH2-CD2 4.39Å; W545-L578 HydrophobicContact CZ2-CD2 4.3Å; W545-I585 WeakPolarHBondContact O-CA 3.21Å; W545-R586 HydrophobicContact CD2-CB 3.91Å; W545-R586 HydrophobicContact CE3-CB 4.26Å; W545-R586 HydrophobicContact CH2-CB 3.94Å; W545-R586 HydrophobicContact CZ2-CB 3.59Å; W545-R586 HydrophobicContact CZ2-CG 4.08Å; W545-R586 HydrophobicContact CZ3-CB 4.27Å; W545-R586 PolarHBondContact N-O 3.41Å; W545-R586 PolarHBondContact O-N 3.25Å; W545-V603 HydrophobicContact CD2-CG1 3.96Å; W545-V603 HydrophobicContact CE3-CG1 4.41Å; W545-V603 HydrophobicContact CE3-CG2 4.39Å; W545-V603 HydrophobicContact CG-CG1 4.36Å; W545-V603 HydrophobicContact CZ2-CG1 4.06Å |
| 546 | N | 82.2 | Confident | 84.2 | Confident | 69 Ų | 69 | 41.2 Ų | 41.2 | 37% | 0.369 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 120.4 | 174.4 | -173.7 | 21.7 | 0 | 0 | 0 | 109.1 | N548 G584 I585 | N546-N548 PolarHBondContact ND2-OD1 2.82Å; N546-N548 PolarHBondContact OD1-OD1 3.4Å; N546-G584 PolarHBondContact OD1-O 3.46Å; N546-I585 HydrophobicContact CB-CG1 4.13Å |
| 547 | F | 79.5 | Confident | 84.1 | Confident | 8 Ų | 8 | 39.1 Ų | 39.1 | 4% | 0.035 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 111.2 | 176.7 | -167.9 | -114.3 | 0 | 0 | 0 | 108.9 | F529 Q549 A551 F554 G584 A605 | F529-F547 HydrophobicContact CB-CD2 4.24Å; F529-F547 AromaticContact CD1-CD2 3.44Å; F529-F547 HydrophobicContact CD1-CD2 3.44Å; F529-F547 VanDerWaalsContact CD1-CD2 3.44Å; F529-F547 AromaticContact CD1-CE2 3.75Å; F529-F547 HydrophobicContact CD1-CE2 3.75Å; F529-F547 AromaticContact CE1-CD2 3.89Å; F529-F547 HydrophobicContact CE1-CD2 3.89Å; F529-F547 HydrophobicContact CE1-CE2 4.11Å; F529-F547 AromaticContact CG-CD2 3.9Å; F529-F547 HydrophobicContact CG-CD2 3.9Å; F547-Q549 HydrophobicContact CD1-CB 4.21Å; F547-Q549 WeakPolarHBondContact CD1-O 3.5Å; F547-Q549 HydrophobicContact CE1-CB 3.62Å; F547-Q549 WeakPolarHBondContact CE1-O 3.38Å; F547-Q549 HydrophobicContact CZ-CB 3.86Å; F547-Q549 PolarHBondContact O-N 3.34Å; F547-A551 HydrophobicContact CD1-CB 4.26Å; F547-A551 HydrophobicContact CE1-CB 4.07Å; F547-F554 HydrophobicContact CB-CE1 3.98Å; F547-F554 HydrophobicContact CB-CZ 3.84Å; F547-F554 AromaticContact CD1-CE1 4Å; F547-F554 HydrophobicContact CD1-CE1 4Å; F547-F554 AromaticContact CD1-CZ 3.77Å; F547-F554 HydrophobicContact CD1-CZ 3.77Å; F547-F554 HydrophobicContact CG-CE1 4.02Å; F547-F554 HydrophobicContact CG-CZ 4.05Å; F547-G584 PolarHBondContact N-O 3.2Å; F547-G584 PolarHBondContact O-N 3Å; F547-A605 HydrophobicContact CD1-CB 4.2Å; F547-A605 HydrophobicContact CD2-CB 4.41Å; F547-A605 HydrophobicContact CE1-CB 3.81Å; F547-A605 HydrophobicContact CE2-CB 4.05Å; F547-A605 HydrophobicContact CG-CB 4.49Å; F547-A605 HydrophobicContact CZ-CB 3.74Å |
| 548 | N | 72.5 | Confident | 84.1 | Confident | 135 Ų | 135 | 37.6 Ų | 37.6 | 72% | 0.722 | 20% | 0.199 | S | C | * | . | trans | -79 | -3.6 | -172.7 | -69.1 | -11.7 | 0 | 0 | 0 | 113.5 | N546 | N546-N548 PolarHBondContact ND2-OD1 2.82Å; N546-N548 PolarHBondContact OD1-OD1 3.4Å | ||
| 549 | Q | 71.2 | Confident | 84.1 | Confident | 97 Ų | 97 | 36.3 Ų | 36.3 | 45% | 0.453 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -108.1 | 165.4 | 176.8 | -61.2 | 178.1 | 3.8 | 0 | 0 | 110.5 | F547 | F547-Q549 HydrophobicContact CD1-CB 4.21Å; F547-Q549 WeakPolarHBondContact CD1-O 3.5Å; F547-Q549 HydrophobicContact CE1-CB 3.62Å; F547-Q549 WeakPolarHBondContact CE1-O 3.38Å; F547-Q549 HydrophobicContact CZ-CB 3.86Å; F547-Q549 PolarHBondContact O-N 3.34Å |
| 550 | T | 67.9 | Low | 84.1 | Confident | 114 Ų | 114 | 37.2 Ų | 37.2 | 70% | 0.699 | 20% | 0.198 | S | C | * | . | trans | -83.3 | 117.8 | 174 | 51.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 551 | A | 68.8 | Low | 83.9 | Confident | 7 Ų | 7 | 37.8 Ų | 37.8 | 6% | 0.058 | 20% | 0.202 | C | C | . | . | trans | -98.1 | 151.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | F547 F554 G581 A605 I606 | F547-A551 HydrophobicContact CD1-CB 4.26Å; F547-A551 HydrophobicContact CE1-CB 4.07Å; A551-F554 HydrophobicContact CB-CD2 4.47Å; A551-F554 HydrophobicContact CB-CE1 4.2Å; A551-F554 HydrophobicContact CB-CE2 3.92Å; A551-F554 HydrophobicContact CB-CZ 3.77Å; A551-G581 PolarHBondContact N-O 2.86Å; A551-G581 CarbonylContact O-C 3.51Å; A551-G581 WeakPolarHBondContact O-CA 3.28Å; A551-A605 HydrophobicContact CB-CB 4.11Å; A551-I606 CarbonylContact C-O 3.5Å | ||
| 552 | S | 76.6 | Confident | 83.6 | Confident | 43 Ų | 43 | 42 Ų | 42 | 30% | 0.301 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -76.2 | -34.2 | 168.3 | 62.4 | 0 | 0 | 0 | 0 | 111.3 | I606 G607 | S552-I606 PolarHBondContact N-O 2.92Å; S552-I606 PolarHBondContact OG-O 2.79Å; S552-G607 PolarHBondContact OG-O 2.99Å |
| 553 | M | 81.5 | Confident | 83.4 | Confident | 23 Ų | 23 | 41.5 Ų | 41.5 | 11% | 0.113 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 162 | 178.8 | 64.4 | -178.5 | -67.7 | 0 | 0 | 110.6 | T555 N577 L578 I606 | M553-T555 HydrophobicContact CE-CG2 3.5Å; M553-N577 HydrophobicContact CE-CB 3.67Å; M553-L578 CarbonylContact C-O 3.51Å; M553-L578 WeakPolarHBondContact CA-O 3.34Å; M553-L578 VanDerWaalsContact CB-O 3.3Å; M553-L578 WeakPolarHBondContact CB-O 3.43Å; M553-I606 HydrophobicContact CE-CD1 4.24Å; M553-I606 HydrophobicContact CG-CB 3.55Å; M553-I606 HydrophobicContact CG-CD1 4.1Å; M553-I606 HydrophobicContact CG-CG1 4.17Å; M553-I606 HydrophobicContact CG-CG2 3.98Å; M553-I606 PolarHBondContact N-O 2.81Å; M553-I606 PolarHBondContact O-N 3.35Å; M553-I606 HydrophobicContact SD-CB 4.37Å; M553-I606 HydrophobicContact SD-CD1 4.05Å; M553-I606 HydrophobicContact SD-CG2 4.32Å |
| 554 | F | 85.2 | Confident | 83.1 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 1% | 0.013 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 138.7 | 167.5 | -66.2 | -90.2 | 0 | 0 | 0 | 110 | W545 F547 A551 L578 V603 D604 A605 | W545-F554 HydrophobicContact CZ2-CB 4.12Å; W545-F554 HydrophobicContact CZ2-CD1 4.25Å; W545-F554 HydrophobicContact CZ2-CD2 4.39Å; W545-F554 HydrophobicContact CZ2-CG 4Å; W545-F554 AromaticContact NE1-CD1 3.45Å; W545-F554 AromaticContact NE1-CE1 3.33Å; W545-F554 VanDerWaalsContact NE1-CE1 3.33Å; W545-F554 AromaticContact NE1-CG 3.99Å; W545-F554 AromaticContact NE1-CZ 3.8Å; F547-F554 HydrophobicContact CB-CE1 3.98Å; F547-F554 HydrophobicContact CB-CZ 3.84Å; F547-F554 AromaticContact CD1-CE1 4Å; F547-F554 HydrophobicContact CD1-CE1 4Å; F547-F554 AromaticContact CD1-CZ 3.77Å; F547-F554 HydrophobicContact CD1-CZ 3.77Å; F547-F554 HydrophobicContact CG-CE1 4.02Å; F547-F554 HydrophobicContact CG-CZ 4.05Å; A551-F554 HydrophobicContact CB-CD2 4.47Å; A551-F554 HydrophobicContact CB-CE1 4.2Å; A551-F554 HydrophobicContact CB-CE2 3.92Å; A551-F554 HydrophobicContact CB-CZ 3.77Å; F554-L578 HydrophobicContact CB-CB 4.32Å; F554-L578 PolarHBondContact N-O 2.92Å; F554-L578 PolarHBondContact O-N 3.3Å; F554-V603 HydrophobicContact CD1-CG1 4.23Å; F554-D604 CarbonylContact C-O 3.58Å; F554-D604 VanDerWaalsContact CA-O 3.25Å; F554-D604 WeakPolarHBondContact CA-O 3.29Å; F554-A605 HydrophobicContact CD1-CB 3.8Å; F554-A605 HydrophobicContact CE1-CB 3.52Å; F554-A605 HydrophobicContact CZ-CB 4.43Å |
| 555 | T | 85.1 | Confident | 82.8 | Confident | 18 Ų | 18 | 44.1 Ų | 44.1 | 11% | 0.11 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 122.7 | 171.9 | 53.5 | 0 | 0 | 0 | 0 | 110.7 | M553 F576 N577 D604 I606 | M553-T555 HydrophobicContact CE-CG2 3.5Å; T555-F576 CarbonylContact C-O 3.57Å; T555-F576 VanDerWaalsContact CA-O 3.32Å; T555-F576 WeakPolarHBondContact CA-O 3.16Å; T555-N577 WeakPolarHBondContact CG2-OD1 3.5Å; T555-D604 PolarHBondContact N-O 3.11Å; T555-D604 PolarHBondContact O-N 3.46Å; T555-D604 WeakPolarHBondContact OG1-CB 3.39Å; T555-I606 HydrophobicContact CG2-CD1 3.38Å; T555-I606 HydrophobicContact CG2-CG1 4.28Å |
| 556 | I | 88.2 | Confident | 81.8 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 118.6 | -180 | -54.2 | 168.9 | 0 | 0 | 0 | 107.7 | I543 W545 I575 F576 Y588 I590 I601 I602 V603 | I543-I556 HydrophobicContact CD1-CD1 4.43Å; I543-I556 HydrophobicContact CD1-CG2 4.23Å; W545-I556 HydrophobicContact CH2-CD1 3.7Å; W545-I556 HydrophobicContact CH2-CG1 4.4Å; W545-I556 HydrophobicContact CZ3-CD1 4.07Å; I556-I575 CarbonylContact O-C 3.53Å; I556-I575 WeakPolarHBondContact O-CA 3.45Å; I556-F576 HydrophobicContact CB-CB 4.36Å; I556-F576 HydrophobicContact CB-CD2 4.47Å; I556-F576 PolarHBondContact N-O 3Å; I556-F576 PolarHBondContact O-N 3.37Å; I556-Y588 HydrophobicContact CD1-CD1 3.32Å; I556-Y588 HydrophobicContact CD1-CD2 3.92Å; I556-Y588 HydrophobicContact CD1-CE1 3.83Å; I556-Y588 HydrophobicContact CD1-CE2 4.37Å; I556-Y588 HydrophobicContact CD1-CG 3.37Å; I556-I590 HydrophobicContact CG2-CD1 4.16Å; I556-I601 HydrophobicContact CG2-CG2 3.76Å; I556-I602 CarbonylContact C-O 3.6Å; I556-I602 VanDerWaalsContact CA-O 3.26Å; I556-I602 WeakPolarHBondContact CA-O 3.44Å; I556-V603 HydrophobicContact CG1-CG1 4.37Å; I556-V603 HydrophobicContact CG1-CG2 4.3Å; I556-V603 HydrophobicContact CG2-CG2 4.48Å |
| 557 | S | 87.3 | Confident | 81.2 | Confident | 13 Ų | 13 | 52.5 Ų | 52.5 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 136.3 | 174.1 | 74.4 | 0 | 0 | 0 | 0 | 111.3 | R574 I601 I602 | S557-R574 WeakPolarHBondContact CA-O 3.48Å; S557-I601 CarbonylContact O-C 3.51Å; S557-I601 WeakPolarHBondContact O-CA 3.42Å; S557-I602 PolarHBondContact N-O 3.38Å; S557-I602 PolarHBondContact O-N 2.84Å |
| 558 | I | 91.8 | Very high | 80.6 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 132.8 | -178.6 | -171.8 | 171.8 | 0 | 0 | 0 | 111.3 | F571 K573 R574 F576 I590 L593 Y599 R600 I601 | I558-F571 HydrophobicContact CG2-CE1 4.36Å; I558-F571 HydrophobicContact CG2-CZ 4.2Å; I558-K573 WeakPolarHBondContact O-CA 3.42Å; I558-R574 HydrophobicContact CG2-CB 3.83Å; I558-R574 PolarHBondContact N-O 3.31Å; I558-R574 PolarHBondContact O-N 3.47Å; I558-R574 VanDerWaalsContact O-N 3.1Å; I558-F576 HydrophobicContact CG2-CE2 3.89Å; I558-I590 HydrophobicContact CD1-CD1 4Å; I558-I590 HydrophobicContact CD1-CG2 3.97Å; I558-I590 HydrophobicContact CG2-CG2 4.48Å; I558-L593 HydrophobicContact CD1-CD1 4Å; I558-L593 HydrophobicContact CD1-CD2 3.87Å; I558-Y599 HydrophobicContact CD1-CD1 3.79Å; I558-Y599 HydrophobicContact CD1-CG 3.83Å; I558-Y599 HydrophobicContact CG1-CD1 3.82Å; I558-Y599 HydrophobicContact CG1-CG 4.12Å; I558-R600 WeakPolarHBondContact CA-O 3.46Å; I558-I601 HydrophobicContact CB-CG1 4.49Å; I558-I601 HydrophobicContact CD1-CD1 4.36Å; I558-I601 HydrophobicContact CD1-CG1 3.88Å; I558-I601 HydrophobicContact CG1-CG1 3.93Å |
| 559 | E | 89.9 | Confident | 80.4 | Confident | 57 Ų | 57 | 53.7 Ų | 53.7 | 27% | 0.266 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 142.8 | 175.7 | 63.1 | -173.5 | -165 | 0 | 0 | 110.7 | Y599 R600 | E559-Y599 CarbonylContact O-C 3.59Å; E559-Y599 VanDerWaalsContact O-CA 3.25Å; E559-Y599 WeakPolarHBondContact O-CA 3.05Å; E559-R600 HydrophobicContact CG-CB 3.83Å; E559-R600 PolarHBondContact N-O 3.27Å; E559-R600 PolarHBondContact O-N 3.41Å; E559-R600 WeakPolarHBondContact OE1-CD 3.12Å; E559-R600 IonicContact OE1-CZ 2.84Å; E559-R600 IonicContact OE1-NE 2.82Å; E559-R600 IonicContact OE1-NH1 2.86Å; E559-R600 PolarHBondContact OE1-NH1 2.93Å |
| 560 | M | 90.4 | Very high | 80.3 | Confident | 43 Ų | 43 | 56.5 Ų | 56.5 | 21% | 0.212 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 129.8 | 175.7 | -172.7 | -169.8 | -71.9 | 0 | 0 | 109.2 | P569 F571 P594 Y599 | M560-P569 HydrophobicContact CE-CG 4.12Å; M560-F571 HydrophobicContact CB-CB 4.07Å; M560-F571 HydrophobicContact CB-CD1 3.85Å; M560-F571 HydrophobicContact CB-CG 4.13Å; M560-F571 HydrophobicContact CE-CB 3.49Å; M560-F571 VanDerWaalsContact CE-CB 3.49Å; M560-F571 HydrophobicContact CE-CD2 4.15Å; M560-F571 HydrophobicContact CE-CG 3.89Å; M560-F571 HydrophobicContact SD-CB 4.25Å; M560-P594 HydrophobicContact CE-CB 3.94Å; M560-P594 HydrophobicContact CE-CG 3.7Å; M560-Y599 HydrophobicContact CB-CD1 3.93Å; M560-Y599 HydrophobicContact CB-CE1 3.71Å; M560-Y599 HydrophobicContact CE-CE1 3.94Å; M560-Y599 VanDerWaalsContact CE-OH 3.25Å; M560-Y599 WeakPolarHBondContact CE-OH 2.99Å; M560-Y599 HydrophobicContact CG-CD1 4.39Å; M560-Y599 HydrophobicContact CG-CE1 4Å |
| 561 | I | 87.5 | Confident | 81 | Confident | 68 Ų | 68 | 52.5 Ų | 52.5 | 35% | 0.349 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -48.8 | 175.9 | -57.9 | 163.9 | 0 | 0 | 0 | 110.1 | R598 R600 | I561-R598 HydrophobicContact CD1-CG 4.43Å; I561-R598 PolarHBondContact N-O 2.88Å; I561-R600 HydrophobicContact CD1-CB 4.03Å; I561-R600 HydrophobicContact CG1-CB 4.27Å |
| 562 | E | 87.4 | Confident | 81.5 | Confident | 87 Ų | 87 | 56.3 Ų | 56.3 | 41% | 0.407 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 164.9 | -174.8 | 61 | -172.3 | 165.6 | 0 | 0 | 111.7 | S597 R598 W621 | E562-S597 CarbonylContact O-C 3.59Å; E562-S597 WeakPolarHBondContact O-CA 3.3Å; E562-R598 HydrophobicContact CG-CB 3.71Å; E562-R598 PolarHBondContact O-N 3.27Å; E562-R598 WeakPolarHBondContact OE1-CD 3.26Å; E562-R598 IonicContact OE1-CZ 2.65Å; E562-R598 IonicContact OE1-NE 3.63Å; E562-R598 PolarHBondContact OE1-NE 3.25Å; E562-R598 IonicContact OE1-NH2 2.78Å; E562-R598 PolarHBondContact OE1-NH2 3.19Å; E562-W621 HydrophobicContact CG-CH2 3.88Å; E562-W621 HydrophobicContact CG-CZ2 4.13Å; E562-W621 WeakPolarHBondContact OE1-CZ2 3.39Å |
| 563 | T | 89.4 | Confident | 81.8 | Confident | 25 Ų | 25 | 59.7 Ų | 59.7 | 15% | 0.153 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 146.1 | 179.5 | -174.5 | 0 | 0 | 0 | 0 | 112.1 | L565 T568 S597 | T563-L565 PolarHBondContact OG1-N 3.43Å; T563-T568 HydrophobicContact CG2-CG2 3.47Å; T563-T568 VanDerWaalsContact CG2-CG2 3.47Å; T563-S597 VanDerWaalsContact CB-OG 3.3Å; T563-S597 WeakPolarHBondContact CB-OG 3.36Å; T563-S597 PolarHBondContact OG1-OG 3.36Å |
| 564 | L | 85.2 | Confident | 82.1 | Confident | 83 Ų | 83 | 62.6 Ų | 62.6 | 44% | 0.435 | 33% | 0.334 | S | S | . | . | trans | -104 | 12.4 | 175 | -60.5 | 174.1 | 0 | 0 | 0 | 112.2 | S596 W621 P662 V751 | L564-S596 PolarHBondContact N-O 2.98Å; L564-W621 HydrophobicContact CD1-CH2 3.84Å; L564-W621 HydrophobicContact CD1-CZ3 3.8Å; L564-W621 HydrophobicContact CD2-CH2 4.43Å; L564-W621 HydrophobicContact CG-CH2 3.76Å; L564-W621 HydrophobicContact CG-CZ3 3.75Å; L564-P662 HydrophobicContact CB-CG 4.2Å; L564-P662 HydrophobicContact CD1-CG 4.3Å; L564-V751 HydrophobicContact CD1-CG1 4.28Å; L564-V751 HydrophobicContact CD1-CG2 4.06Å | ||
| 565 | L | 82.8 | Confident | 82.2 | Confident | 31 Ų | 31 | 67.7 Ų | 67.7 | 16% | 0.162 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -73.1 | 146.1 | 170.2 | -64.8 | 173 | 0 | 0 | 0 | 110 | T563 F567 P569 P594 A595 E659 | T563-L565 PolarHBondContact OG1-N 3.43Å; L565-F567 WeakPolarHBondContact CB-O 3.36Å; L565-F567 PolarHBondContact O-N 2.94Å; L565-F567 VanDerWaalsContact O-N 3.15Å; L565-P569 HydrophobicContact CD1-CG 4.17Å; L565-P594 HydrophobicContact CD1-CB 4.13Å; L565-A595 VanDerWaalsContact CD1-O 3.28Å; L565-A595 WeakPolarHBondContact CD1-O 3.32Å; L565-A595 HydrophobicContact CD2-CB 4.47Å; L565-A595 VanDerWaalsContact CG-O 3.32Å; L565-A595 WeakPolarHBondContact CG-O 3.25Å; L565-E659 WeakPolarHBondContact CD2-O 3.21Å |
| 566 | P | 68.1 | Low | 82.3 | Confident | 87 Ų | 87 | 69.1 Ų | 69.1 | 57% | 0.565 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -62.5 | -21.2 | 179.2 | 21.6 | -30.4 | 0 | 0 | 0 | 113.7 | ||
| 567 | F | 68.2 | Low | 82 | Confident | 160 Ų | 160 | 74.2 Ų | 74.2 | 70% | 0.702 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -123.1 | 129.6 | 172 | -58.4 | -77.7 | 0 | 0 | 0 | 109.1 | L565 P569 | L565-F567 WeakPolarHBondContact CB-O 3.36Å; L565-F567 PolarHBondContact O-N 2.94Å; L565-F567 VanDerWaalsContact O-N 3.15Å; F567-P569 VanDerWaalsContact O-CD 3.22Å; F567-P569 WeakPolarHBondContact O-CD 2.95Å |
| 568 | T | 66.6 | Low | 81.7 | Confident | 120 Ų | 120 | 75.7 Ų | 75.7 | 74% | 0.736 | 40% | 0.399 | S | S | * | . | trans | -75.1 | 107.6 | 177.9 | 28.3 | 0 | 0 | 0 | 0 | 110.6 | T563 | T563-T568 HydrophobicContact CG2-CG2 3.47Å; T563-T568 VanDerWaalsContact CG2-CG2 3.47Å | ||
| 569 | P | 68.4 | Low | 80.5 | Confident | 48 Ų | 48 | 82.8 Ų | 82.8 | 31% | 0.312 | 44% | 0.436 | S | S | . | . | trans | -74.2 | 138.2 | 179 | 26.5 | -22.9 | 0 | 0 | 0 | 110.4 | M560 L565 F567 F571 P594 | M560-P569 HydrophobicContact CE-CG 4.12Å; L565-P569 HydrophobicContact CD1-CG 4.17Å; F567-P569 VanDerWaalsContact O-CD 3.22Å; F567-P569 WeakPolarHBondContact O-CD 2.95Å; P569-F571 PolarHBondContact O-N 3.35Å; P569-F571 VanDerWaalsContact O-N 3.12Å; P569-P594 HydrophobicContact CB-CG 4.18Å; P569-P594 HydrophobicContact CG-CB 3.67Å; P569-P594 HydrophobicContact CG-CG 3.67Å | ||
| 570 | V | 70.3 | Confident | 79.2 | Confident | 157 Ų | 157 | 84.7 Ų | 84.7 | 95% | 0.952 | 45% | 0.448 | S | S | * | . | trans | -67.6 | 110.7 | 174.3 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 571 | F | 81.4 | Confident | 77.5 | Confident | 29 Ų | 29 | 83.4 Ų | 83.4 | 13% | 0.127 | 45% | 0.446 | C | S | . | . | trans | -117 | 107.4 | 178.8 | -171.2 | -88.2 | 0 | 0 | 0 | 110.4 | I558 M560 P569 R574 L593 P594 Y599 | I558-F571 HydrophobicContact CG2-CE1 4.36Å; I558-F571 HydrophobicContact CG2-CZ 4.2Å; M560-F571 HydrophobicContact CB-CB 4.07Å; M560-F571 HydrophobicContact CB-CD1 3.85Å; M560-F571 HydrophobicContact CB-CG 4.13Å; M560-F571 HydrophobicContact CE-CB 3.49Å; M560-F571 VanDerWaalsContact CE-CB 3.49Å; M560-F571 HydrophobicContact CE-CD2 4.15Å; M560-F571 HydrophobicContact CE-CG 3.89Å; M560-F571 HydrophobicContact SD-CB 4.25Å; P569-F571 PolarHBondContact O-N 3.35Å; P569-F571 VanDerWaalsContact O-N 3.12Å; F571-R574 HydrophobicContact CZ-CG 4.25Å; F571-L593 HydrophobicContact CE2-CD2 3.72Å; F571-L593 HydrophobicContact CZ-CD2 3.71Å; F571-P594 HydrophobicContact CD2-CG 4.25Å; F571-Y599 HydrophobicContact CD1-CE1 4.02Å; F571-Y599 HydrophobicContact CD2-CE1 4.09Å; F571-Y599 HydrophobicContact CE1-CD1 4.08Å; F571-Y599 AromaticContact CE1-CE1 3.79Å; F571-Y599 HydrophobicContact CE1-CE1 3.79Å; F571-Y599 AromaticContact CE2-CE1 3.86Å; F571-Y599 HydrophobicContact CE2-CE1 3.86Å; F571-Y599 HydrophobicContact CG-CE1 4.17Å; F571-Y599 HydrophobicContact CZ-CD1 4.21Å; F571-Y599 AromaticContact CZ-CE1 3.7Å; F571-Y599 HydrophobicContact CZ-CE1 3.7Å | ||
| 572 | S | 80.1 | Confident | 76.1 | Confident | 88 Ų | 88 | 83.3 Ų | 83.3 | 62% | 0.615 | 45% | 0.451 | S | S | * | . | trans | -77.9 | 144.4 | 171.8 | 51.3 | 0 | 0 | 0 | 0 | 110.9 | R574 | S572-R574 WeakPolarHBondContact O-CG 3.38Å; S572-R574 PolarHBondContact O-N 3.14Å | ||
| 573 | K | 83.3 | Confident | 74.8 | Confident | 113 Ų | 113 | 82.9 Ų | 82.9 | 49% | 0.491 | 46% | 0.458 | S | S | . | . | trans | -54.2 | 125.2 | 175.3 | -178.6 | 173 | -179 | 167.3 | 0 | 109.9 | I558 | I558-K573 WeakPolarHBondContact O-CA 3.42Š| ||
| 574 | R | 88.1 | Confident | 73.8 | Confident | 84 Ų | 84 | 83 Ų | 83 | 32% | 0.317 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 140.8 | 178.1 | -56.7 | -176.7 | -173.5 | 164.5 | 3.3 | 109.6 | S557 I558 F571 S572 F576 N592 | S557-R574 WeakPolarHBondContact CA-O 3.48Å; I558-R574 HydrophobicContact CG2-CB 3.83Å; I558-R574 PolarHBondContact N-O 3.31Å; I558-R574 PolarHBondContact O-N 3.47Å; I558-R574 VanDerWaalsContact O-N 3.1Å; F571-R574 HydrophobicContact CZ-CG 4.25Å; S572-R574 WeakPolarHBondContact O-CG 3.38Å; S572-R574 PolarHBondContact O-N 3.14Å; R574-F576 HydrophobicContact CB-CE2 3.97Å; R574-F576 HydrophobicContact CB-CZ 3.92Å; R574-N592 PolarHBondContact NH1-O 2.61Å; R574-N592 PolarHBondContact NH2-O 2.93Å |
| 575 | I | 86.1 | Confident | 73.5 | Confident | 110 Ų | 110 | 84.9 Ų | 84.9 | 56% | 0.564 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 131.6 | 179.3 | -55.7 | 174.4 | 0 | 0 | 0 | 108.1 | I556 | I556-I575 CarbonylContact O-C 3.53Å; I556-I575 WeakPolarHBondContact O-CA 3.45Å |
| 576 | F | 86.9 | Confident | 73.4 | Confident | 49 Ų | 49 | 85.7 Ų | 85.7 | 22% | 0.215 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 129.6 | -179 | -53.3 | -83.6 | 0 | 0 | 0 | 110.1 | T555 I556 I558 R574 Y588 I590 | T555-F576 CarbonylContact C-O 3.57Å; T555-F576 VanDerWaalsContact CA-O 3.32Å; T555-F576 WeakPolarHBondContact CA-O 3.16Å; I556-F576 HydrophobicContact CB-CB 4.36Å; I556-F576 HydrophobicContact CB-CD2 4.47Å; I556-F576 PolarHBondContact N-O 3Å; I556-F576 PolarHBondContact O-N 3.37Å; I558-F576 HydrophobicContact CG2-CE2 3.89Å; R574-F576 HydrophobicContact CB-CE2 3.97Å; R574-F576 HydrophobicContact CB-CZ 3.92Å; F576-Y588 HydrophobicContact CB-CE1 4.21Å; F576-Y588 WeakPolarHBondContact CB-OH 3.43Å; F576-Y588 VanDerWaalsContact CD1-OH 3.29Å; F576-Y588 WeakPolarHBondContact CD1-OH 3.3Å; F576-Y588 HydrophobicContact CD2-CE1 4.25Å; F576-Y588 HydrophobicContact CG-CE1 4.11Å; F576-Y588 WeakPolarHBondContact CG-OH 3.49Å; F576-I590 HydrophobicContact CE2-CG2 3.92Å; F576-I590 HydrophobicContact CZ-CG2 4.12Å |
| 577 | N | 83.6 | Confident | 74.3 | Confident | 106 Ų | 106 | 86.3 Ų | 86.3 | 57% | 0.567 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 119.9 | -178 | -64.6 | -8.5 | 0 | 0 | 0 | 109.6 | M553 T555 | M553-N577 HydrophobicContact CE-CB 3.67Å; T555-N577 WeakPolarHBondContact CG2-OD1 3.5Å |
| 578 | L | 80.4 | Confident | 75.3 | Confident | 45 Ų | 45 | 81.3 Ų | 81.3 | 24% | 0.236 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 111.9 | 179.1 | -173.3 | 72.5 | 0 | 0 | 0 | 109.6 | W545 M553 F554 D580 | W545-L578 HydrophobicContact CH2-CD2 4.39Å; W545-L578 HydrophobicContact CZ2-CD2 4.3Å; M553-L578 CarbonylContact C-O 3.51Å; M553-L578 WeakPolarHBondContact CA-O 3.34Å; M553-L578 VanDerWaalsContact CB-O 3.3Å; M553-L578 WeakPolarHBondContact CB-O 3.43Å; F554-L578 HydrophobicContact CB-CB 4.32Å; F554-L578 PolarHBondContact N-O 2.92Å; F554-L578 PolarHBondContact O-N 3.3Å; L578-D580 PolarHBondContact O-N 3.5Å |
| 579 | L | 66.1 | Low | 76.5 | Confident | 148 Ų | 148 | 80.3 Ų | 80.3 | 78% | 0.775 | 43% | 0.434 | S | S | * | . | trans | -84.2 | 0.9 | -170.3 | -70.1 | 166.6 | 0 | 0 | 0 | 115.4 | ||||
| 580 | D | 62.3 | Low | 77.7 | Confident | 98 Ų | 98 | 78 Ų | 78 | 52% | 0.524 | 42% | 0.42 | S | S | . | . | trans | -106.4 | 102.4 | -173.7 | -164.5 | 8 | 0 | 0 | 0 | 111.9 | L578 R586 | L578-D580 PolarHBondContact O-N 3.5Å; D580-R586 PolarHBondContact O-NH2 2.72Å | ||
| 581 | G | 56 | Low | 78.7 | Confident | 16 Ų | 16 | 72.9 Ų | 72.9 | 17% | 0.165 | 39% | 0.39 | C | S | . | . | trans | -95.6 | 9.1 | -159.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | A551 | A551-G581 PolarHBondContact N-O 2.86Å; A551-G581 CarbonylContact O-C 3.51Å; A551-G581 WeakPolarHBondContact O-CA 3.28Å | ||
| 582 | S | 57.9 | Low | 79 | Confident | 66 Ų | 66 | 77.3 Ų | 77.3 | 46% | 0.462 | 42% | 0.416 | S | S | . | . | trans | -65.5 | 146.8 | -179.1 | 38.7 | 0 | 0 | 0 | 0 | 113 | R586 | S582-R586 VanDerWaalsContact N-NH2 3.2Å; S582-R586 PolarHBondContact O-NH2 2.88Å; S582-R586 PolarHBondContact OG-NH2 3.5Å | ||
| 583 | S | 58.9 | Low | 79.6 | Confident | 78 Ų | 78 | 73.5 Ų | 73.5 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -67.6 | 138.3 | 179.5 | 54.6 | 0 | 0 | 0 | 0 | 112.2 | ||
| 584 | G | 69.6 | Low | 79.9 | Confident | 27 Ų | 27 | 69.4 Ų | 69.4 | 28% | 0.278 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 142 | -169.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | N546 F547 | N546-G584 PolarHBondContact OD1-O 3.46Å; F547-G584 PolarHBondContact N-O 3.2Å; F547-G584 PolarHBondContact O-N 3Å |
| 585 | I | 77.9 | Confident | 80 | Confident | 122 Ų | 122 | 66 Ų | 66 | 63% | 0.626 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 124.7 | 178.3 | -57.8 | 172 | 0 | 0 | 0 | 109.4 | Q544 W545 N546 | Q544-I585 HydrophobicContact CB-CG2 4.48Å; W545-I585 WeakPolarHBondContact O-CA 3.21Å; N546-I585 HydrophobicContact CB-CG1 4.13Å |
| 586 | R | 81.9 | Confident | 80.3 | Confident | 49 Ų | 49 | 60.8 Ų | 60.8 | 19% | 0.185 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 144 | 175.8 | -65.8 | -63.6 | 179.3 | -174.7 | -2.9 | 110.5 | Q544 W545 D580 S582 | Q544-R586 CarbonylContact C-O 3.46Å; Q544-R586 WeakPolarHBondContact CA-O 3.23Å; Q544-R586 WeakPolarHBondContact CB-O 3.21Å; W545-R586 HydrophobicContact CD2-CB 3.91Å; W545-R586 HydrophobicContact CE3-CB 4.26Å; W545-R586 HydrophobicContact CH2-CB 3.94Å; W545-R586 HydrophobicContact CZ2-CB 3.59Å; W545-R586 HydrophobicContact CZ2-CG 4.08Å; W545-R586 HydrophobicContact CZ3-CB 4.27Å; W545-R586 PolarHBondContact N-O 3.41Å; W545-R586 PolarHBondContact O-N 3.25Å; D580-R586 PolarHBondContact O-NH2 2.72Å; S582-R586 VanDerWaalsContact N-NH2 3.2Å; S582-R586 PolarHBondContact O-NH2 2.88Å; S582-R586 PolarHBondContact OG-NH2 3.5Å |
| 587 | L | 86.4 | Confident | 80.6 | Confident | 100 Ų | 100 | 58.4 Ų | 58.4 | 52% | 0.524 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 129.5 | 175.1 | -172.6 | 82.7 | 0 | 0 | 0 | 107.8 | V534 M542 I543 Q544 | V534-L587 HydrophobicContact CB-CD1 3.95Å; V534-L587 HydrophobicContact CG1-CD1 3.92Å; V534-L587 HydrophobicContact CG2-CD1 3.57Å; M542-L587 HydrophobicContact CE-CD1 4.06Å; M542-L587 HydrophobicContact CE-CD2 3.45Å; M542-L587 VanDerWaalsContact CE-CD2 3.45Å; M542-L587 HydrophobicContact CE-CG 3.57Å; I543-L587 CarbonylContact O-C 3.52Å; I543-L587 WeakPolarHBondContact O-CA 3.49Å; Q544-L587 HydrophobicContact CB-CD1 4.14Å |
| 588 | Y | 89.4 | Confident | 81.1 | Confident | 54 Ų | 54 | 57 Ų | 57 | 21% | 0.212 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 138.9 | 177.2 | -168.2 | -98.3 | 0 | 0 | 0 | 111.9 | M542 I543 I556 F576 I590 | M542-Y588 WeakPolarHBondContact CA-O 3.06Å; I543-Y588 PolarHBondContact N-O 3.12Å; I543-Y588 PolarHBondContact O-N 3.2Å; I556-Y588 HydrophobicContact CD1-CD1 3.32Å; I556-Y588 HydrophobicContact CD1-CD2 3.92Å; I556-Y588 HydrophobicContact CD1-CE1 3.83Å; I556-Y588 HydrophobicContact CD1-CE2 4.37Å; I556-Y588 HydrophobicContact CD1-CG 3.37Å; F576-Y588 HydrophobicContact CB-CE1 4.21Å; F576-Y588 WeakPolarHBondContact CB-OH 3.43Å; F576-Y588 VanDerWaalsContact CD1-OH 3.29Å; F576-Y588 WeakPolarHBondContact CD1-OH 3.3Å; F576-Y588 HydrophobicContact CD2-CE1 4.25Å; F576-Y588 HydrophobicContact CG-CE1 4.11Å; F576-Y588 WeakPolarHBondContact CG-OH 3.49Å; Y588-I590 HydrophobicContact CD1-CG1 3.75Å; Y588-I590 HydrophobicContact CE1-CG1 3.86Å |
| 589 | K | 92.3 | Very high | 81.7 | Confident | 99 Ų | 99 | 54.8 Ų | 54.8 | 43% | 0.43 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 115 | -179.3 | -173.6 | 165.1 | -170.1 | -166.9 | 0 | 110.4 | E540 M542 | E540-K589 WeakPolarHBondContact OE1-CE 3.32Å; E540-K589 IonicContact OE1-NZ 2.59Å; E540-K589 PolarHBondContact OE1-NZ 3.3Å; E540-K589 WeakPolarHBondContact OE2-CE 3.33Å; E540-K589 IonicContact OE2-NZ 2.76Å; E540-K589 PolarHBondContact OE2-NZ 3.49Å; M542-K589 HydrophobicContact CE-CB 3.96Å; M542-K589 VanDerWaalsContact SD-CA 3.53Å; M542-K589 HydrophobicContact SD-CB 3.24Å; M542-K589 WeakPolarHBondContact SD-CB 3.45Å; M542-K589 HydrophobicContact SD-CD 3.55Å; M542-K589 VanDerWaalsContact SD-CD 3.55Å; M542-K589 HydrophobicContact SD-CG 3.25Å; M542-K589 WeakPolarHBondContact SD-CG 3.48Å |
| 590 | I | 92.2 | Very high | 83 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 114.1 | 172.6 | -49.9 | 174.8 | 0 | 0 | 0 | 107.6 | E540 I541 I556 I558 F576 Y588 L593 I601 | E540-I590 CarbonylContact C-O 3.54Å; E540-I590 WeakPolarHBondContact CA-O 2.86Å; I541-I590 PolarHBondContact N-O 3.37Å; I541-I590 PolarHBondContact O-N 2.91Å; I556-I590 HydrophobicContact CG2-CD1 4.16Å; I558-I590 HydrophobicContact CD1-CD1 4Å; I558-I590 HydrophobicContact CD1-CG2 3.97Å; I558-I590 HydrophobicContact CG2-CG2 4.48Å; F576-I590 HydrophobicContact CE2-CG2 3.92Å; F576-I590 HydrophobicContact CZ-CG2 4.12Å; Y588-I590 HydrophobicContact CD1-CG1 3.75Å; Y588-I590 HydrophobicContact CE1-CG1 3.86Å; I590-L593 HydrophobicContact CB-CD1 4.34Å; I590-L593 HydrophobicContact CG2-CD1 4.01Å; I590-L593 HydrophobicContact CG2-CD2 3.97Å; I590-L593 HydrophobicContact CG2-CG 4.18Å; I590-I601 HydrophobicContact CD1-CD1 3.96Å; I590-I601 HydrophobicContact CD1-CG1 4.15Å; I590-I601 HydrophobicContact CD1-CG2 3.92Å |
| 591 | S | 91.9 | Very high | 84.4 | Confident | 48 Ų | 48 | 47.7 Ų | 47.7 | 34% | 0.336 | 26% | 0.257 | S | S | . | . | trans | -108.9 | 174.8 | -178.9 | 57.1 | 0 | 0 | 0 | 0 | 112.9 | S539 L593 | S539-S591 CarbonylContact O-C 3.53Å; S591-L593 VanDerWaalsContact C-N 3.34Å; S591-L593 PolarHBondContact O-N 3.17Å | ||
| 592 | N | 88.7 | Confident | 85.9 | Confident | 123 Ų | 123 | 48.8 Ų | 48.8 | 66% | 0.658 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 59.8 | 40.6 | -179.5 | -58.5 | -29.9 | 0 | 0 | 0 | 113.4 | S539 R574 | S539-N592 PolarHBondContact O-N 3Å; S539-N592 VanDerWaalsContact O-N 3.09Å; R574-N592 PolarHBondContact NH1-O 2.61Å; R574-N592 PolarHBondContact NH2-O 2.93Å |
| 593 | L | 91.5 | Very high | 87.3 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -93.2 | 138.5 | 173.9 | -58.9 | 179.7 | 0 | 0 | 0 | 110 | S539 I541 I558 F571 I590 S591 Y599 T622 | S539-L593 VanDerWaalsContact CA-O 3.28Å; S539-L593 WeakPolarHBondContact CA-O 3.27Å; S539-L593 WeakPolarHBondContact O-CB 3.33Å; S539-L593 PolarHBondContact O-N 2.87Å; I541-L593 HydrophobicContact CB-CD1 4.15Å; I541-L593 HydrophobicContact CD1-CD1 3.83Å; I541-L593 HydrophobicContact CG1-CD1 3.83Å; I558-L593 HydrophobicContact CD1-CD1 4Å; I558-L593 HydrophobicContact CD1-CD2 3.87Å; F571-L593 HydrophobicContact CE2-CD2 3.72Å; F571-L593 HydrophobicContact CZ-CD2 3.71Å; I590-L593 HydrophobicContact CB-CD1 4.34Å; I590-L593 HydrophobicContact CG2-CD1 4.01Å; I590-L593 HydrophobicContact CG2-CD2 3.97Å; I590-L593 HydrophobicContact CG2-CG 4.18Å; S591-L593 VanDerWaalsContact C-N 3.34Å; S591-L593 PolarHBondContact O-N 3.17Å; L593-Y599 HydrophobicContact CB-CE2 4.12Å; L593-Y599 HydrophobicContact CD1-CD2 4.42Å; L593-Y599 HydrophobicContact CD1-CE2 4.34Å; L593-Y599 HydrophobicContact CD2-CE1 4.12Å; L593-T622 HydrophobicContact CB-CG2 3.86Å; L593-T622 HydrophobicContact CD1-CG2 4.09Å |
| 594 | P | 90.2 | Very high | 88.5 | Confident | 28 Ų | 28 | 43.9 Ų | 43.9 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -53.1 | 136.6 | 164.5 | -31.4 | 31.5 | 0 | 0 | 0 | 113 | M560 L565 P569 F571 Y599 T622 | M560-P594 HydrophobicContact CE-CB 3.94Å; M560-P594 HydrophobicContact CE-CG 3.7Å; L565-P594 HydrophobicContact CD1-CB 4.13Å; P569-P594 HydrophobicContact CB-CG 4.18Å; P569-P594 HydrophobicContact CG-CB 3.67Å; P569-P594 HydrophobicContact CG-CG 3.67Å; F571-P594 HydrophobicContact CD2-CG 4.25Å; P594-Y599 WeakPolarHBondContact CB-OH 3.5Å; P594-Y599 WeakPolarHBondContact CD-OH 3.4Å; P594-Y599 WeakPolarHBondContact CG-OH 3.11Å; P594-Y599 PolarHBondContact O-OH 3.44Å; P594-T622 PolarHBondContact O-OG1 2.82Å |
| 595 | A | 90.1 | Very high | 89 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 10% | 0.099 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -65.7 | 162.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y538 L565 S597 T622 A625 | Y538-A595 WeakPolarHBondContact O-CA 3.03Å; Y538-A595 VanDerWaalsContact O-CB 3.27Å; Y538-A595 WeakPolarHBondContact O-CB 3.45Å; Y538-A595 PolarHBondContact O-N 3.01Å; L565-A595 VanDerWaalsContact CD1-O 3.28Å; L565-A595 WeakPolarHBondContact CD1-O 3.32Å; L565-A595 HydrophobicContact CD2-CB 4.47Å; L565-A595 VanDerWaalsContact CG-O 3.32Å; L565-A595 WeakPolarHBondContact CG-O 3.25Å; A595-S597 PolarHBondContact O-N 3.4Å; A595-S597 PolarHBondContact O-OG 3.15Å; A595-T622 VanDerWaalsContact C-OG1 3.28Å; A595-T622 WeakPolarHBondContact CA-OG1 3.47Å; A595-A625 HydrophobicContact CB-CB 3.92Å |
| 596 | S | 92 | Very high | 88.9 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 47.5 | 39.7 | 176.2 | -56.6 | 0 | 0 | 0 | 0 | 113.6 | L564 W621 T622 S623 P624 G660 G661 | L564-S596 PolarHBondContact N-O 2.98Å; S596-W621 WeakPolarHBondContact O-CZ3 3.28Å; S596-T622 PolarHBondContact N-OG1 2.98Å; S596-S623 PolarHBondContact N-O 2.87Å; S596-S623 VanDerWaalsContact N-O 3.09Å; S596-P624 WeakPolarHBondContact OG-CA 3.45Å; S596-G660 PolarHBondContact OG-O 3.32Å; S596-G661 VanDerWaalsContact OG-CA 3.23Å; S596-G661 WeakPolarHBondContact OG-CA 3.07Å |
| 597 | S | 92.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 142.9 | -172.6 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | E562 T563 A595 Y599 W621 T622 | E562-S597 CarbonylContact O-C 3.59Å; E562-S597 WeakPolarHBondContact O-CA 3.3Å; T563-S597 VanDerWaalsContact CB-OG 3.3Å; T563-S597 WeakPolarHBondContact CB-OG 3.36Å; T563-S597 PolarHBondContact OG1-OG 3.36Å; A595-S597 PolarHBondContact O-N 3.4Å; A595-S597 PolarHBondContact O-OG 3.15Å; S597-Y599 WeakPolarHBondContact O-CD2 3.24Å; S597-Y599 WeakPolarHBondContact O-CE2 3.26Å; S597-W621 VanDerWaalsContact C-CE3 3.44Å; S597-W621 WeakPolarHBondContact O-CA 3.4Å; S597-T622 PolarHBondContact N-OG1 2.96Å; S597-T622 PolarHBondContact O-N 3.3Å; S597-T622 PolarHBondContact O-OG1 2.8Å |
| 598 | R | 94.5 | Very high | 87.5 | Confident | 75 Ų | 75 | 37.1 Ų | 37.1 | 28% | 0.283 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 131.4 | -178.6 | -162.1 | 171.9 | 74 | 151.3 | -8.3 | 111.2 | I561 E562 W621 | I561-R598 HydrophobicContact CD1-CG 4.43Å; I561-R598 PolarHBondContact N-O 2.88Å; E562-R598 HydrophobicContact CG-CB 3.71Å; E562-R598 PolarHBondContact O-N 3.27Å; E562-R598 WeakPolarHBondContact OE1-CD 3.26Å; E562-R598 IonicContact OE1-CZ 2.65Å; E562-R598 IonicContact OE1-NE 3.63Å; E562-R598 PolarHBondContact OE1-NE 3.25Å; E562-R598 IonicContact OE1-NH2 2.78Å; E562-R598 PolarHBondContact OE1-NH2 3.19Å; R598-W621 HydrophobicContact CB-CD2 3.72Å; R598-W621 HydrophobicContact CB-CE3 3.96Å; R598-W621 HydrophobicContact CB-CG 4.29Å; R598-W621 HydrophobicContact CB-CH2 4.02Å; R598-W621 HydrophobicContact CB-CZ2 3.8Å; R598-W621 HydrophobicContact CB-CZ3 4.1Å; R598-W621 HydrophobicContact CG-CD2 4.08Å; R598-W621 HydrophobicContact CG-CG 4.21Å; R598-W621 HydrophobicContact CG-CZ2 4.28Å |
| 599 | Y | 93 | Very high | 86.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 148 | -178.7 | -61.8 | -89.7 | 0 | 0 | 0 | 112.2 | I541 I558 E559 M560 F571 L593 P594 S597 N619 A620 T622 | I541-Y599 HydrophobicContact CD1-CD2 4.01Å; I558-Y599 HydrophobicContact CD1-CD1 3.79Å; I558-Y599 HydrophobicContact CD1-CG 3.83Å; I558-Y599 HydrophobicContact CG1-CD1 3.82Å; I558-Y599 HydrophobicContact CG1-CG 4.12Å; E559-Y599 CarbonylContact O-C 3.59Å; E559-Y599 VanDerWaalsContact O-CA 3.25Å; E559-Y599 WeakPolarHBondContact O-CA 3.05Å; M560-Y599 HydrophobicContact CB-CD1 3.93Å; M560-Y599 HydrophobicContact CB-CE1 3.71Å; M560-Y599 HydrophobicContact CE-CE1 3.94Å; M560-Y599 VanDerWaalsContact CE-OH 3.25Å; M560-Y599 WeakPolarHBondContact CE-OH 2.99Å; M560-Y599 HydrophobicContact CG-CD1 4.39Å; M560-Y599 HydrophobicContact CG-CE1 4Å; F571-Y599 HydrophobicContact CD1-CE1 4.02Å; F571-Y599 HydrophobicContact CD2-CE1 4.09Å; F571-Y599 HydrophobicContact CE1-CD1 4.08Å; F571-Y599 AromaticContact CE1-CE1 3.79Å; F571-Y599 HydrophobicContact CE1-CE1 3.79Å; F571-Y599 AromaticContact CE2-CE1 3.86Å; F571-Y599 HydrophobicContact CE2-CE1 3.86Å; F571-Y599 HydrophobicContact CG-CE1 4.17Å; F571-Y599 HydrophobicContact CZ-CD1 4.21Å; F571-Y599 AromaticContact CZ-CE1 3.7Å; F571-Y599 HydrophobicContact CZ-CE1 3.7Å; L593-Y599 HydrophobicContact CB-CE2 4.12Å; L593-Y599 HydrophobicContact CD1-CD2 4.42Å; L593-Y599 HydrophobicContact CD1-CE2 4.34Å; L593-Y599 HydrophobicContact CD2-CE1 4.12Å; P594-Y599 WeakPolarHBondContact CB-OH 3.5Å; P594-Y599 WeakPolarHBondContact CD-OH 3.4Å; P594-Y599 WeakPolarHBondContact CG-OH 3.11Å; P594-Y599 PolarHBondContact O-OH 3.44Å; S597-Y599 WeakPolarHBondContact O-CD2 3.24Å; S597-Y599 WeakPolarHBondContact O-CE2 3.26Å; Y599-N619 CarbonylContact O-C 3.53Å; Y599-N619 VanDerWaalsContact O-CA 3.27Å; Y599-N619 WeakPolarHBondContact O-CA 3.45Å; Y599-A620 PolarHBondContact N-O 2.86Å; Y599-A620 PolarHBondContact O-N 3.01Å; Y599-T622 HydrophobicContact CD2-CG2 4.27Å; Y599-T622 HydrophobicContact CE2-CG2 3.8Å |
| 600 | R | 93 | Very high | 84.8 | Confident | 97 Ų | 97 | 42 Ų | 42 | 37% | 0.366 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 126.7 | 161.7 | -179.4 | 179.2 | -68.2 | 156 | -12.9 | 109 | I558 E559 I561 I602 N619 | I558-R600 WeakPolarHBondContact CA-O 3.46Å; E559-R600 HydrophobicContact CG-CB 3.83Å; E559-R600 PolarHBondContact N-O 3.27Å; E559-R600 PolarHBondContact O-N 3.41Å; E559-R600 WeakPolarHBondContact OE1-CD 3.12Å; E559-R600 IonicContact OE1-CZ 2.84Å; E559-R600 IonicContact OE1-NE 2.82Å; E559-R600 IonicContact OE1-NH1 2.86Å; E559-R600 PolarHBondContact OE1-NH1 2.93Å; I561-R600 HydrophobicContact CD1-CB 4.03Å; I561-R600 HydrophobicContact CG1-CB 4.27Å; R600-I602 HydrophobicContact CG-CG1 4.22Å; R600-N619 WeakPolarHBondContact CB-OD1 3.5Å; R600-N619 WeakPolarHBondContact CG-OD1 3.37Å |
| 601 | I | 91.9 | Very high | 83.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 122.1 | -179.5 | -56.3 | 165.6 | 0 | 0 | 0 | 107.8 | I541 I543 I556 S557 I558 I590 F617 L618 | I541-I601 HydrophobicContact CB-CD1 4.47Å; I541-I601 HydrophobicContact CD1-CD1 4.33Å; I541-I601 HydrophobicContact CG2-CD1 3.78Å; I543-I601 HydrophobicContact CD1-CG2 3.71Å; I543-I601 HydrophobicContact CG2-CD1 3.91Å; I556-I601 HydrophobicContact CG2-CG2 3.76Å; S557-I601 CarbonylContact O-C 3.51Å; S557-I601 WeakPolarHBondContact O-CA 3.42Å; I558-I601 HydrophobicContact CB-CG1 4.49Å; I558-I601 HydrophobicContact CD1-CD1 4.36Å; I558-I601 HydrophobicContact CD1-CG1 3.88Å; I558-I601 HydrophobicContact CG1-CG1 3.93Å; I590-I601 HydrophobicContact CD1-CD1 3.96Å; I590-I601 HydrophobicContact CD1-CG1 4.15Å; I590-I601 HydrophobicContact CD1-CG2 3.92Å; I601-F617 CarbonylContact O-C 3.6Å; I601-F617 WeakPolarHBondContact O-CA 3.45Å; I601-L618 PolarHBondContact N-O 2.84Å; I601-L618 PolarHBondContact O-N 2.84Å |
| 602 | I | 88.5 | Confident | 82.1 | Confident | 39 Ų | 39 | 45.6 Ų | 45.6 | 20% | 0.2 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 131.4 | 179.2 | -54.6 | 173 | 0 | 0 | 0 | 108.1 | I556 S557 R600 S616 F617 | I556-I602 CarbonylContact C-O 3.6Å; I556-I602 VanDerWaalsContact CA-O 3.26Å; I556-I602 WeakPolarHBondContact CA-O 3.44Å; S557-I602 PolarHBondContact N-O 3.38Å; S557-I602 PolarHBondContact O-N 2.84Å; R600-I602 HydrophobicContact CG-CG1 4.22Å; I602-S616 CarbonylContact C-O 3.52Å; I602-S616 WeakPolarHBondContact CA-O 3.47Å; I602-F617 HydrophobicContact CG1-CB 4.03Å |
| 603 | V | 87 | Confident | 81.3 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 115.2 | 177.2 | -174.5 | 0 | 0 | 0 | 0 | 108.3 | F529 V531 I543 W545 F554 I556 S615 S616 | F529-V603 HydrophobicContact CE2-CB 4.25Å; F529-V603 HydrophobicContact CE2-CG1 4.1Å; F529-V603 HydrophobicContact CZ-CB 4.21Å; F529-V603 HydrophobicContact CZ-CG1 3.97Å; F529-V603 WeakPolarHBondContact CZ-O 3.5Å; V531-V603 HydrophobicContact CG1-CG2 4.29Å; V531-V603 HydrophobicContact CG2-CB 4.1Å; V531-V603 HydrophobicContact CG2-CG2 3.88Å; I543-V603 HydrophobicContact CD1-CG2 3.91Å; W545-V603 HydrophobicContact CD2-CG1 3.96Å; W545-V603 HydrophobicContact CE3-CG1 4.41Å; W545-V603 HydrophobicContact CE3-CG2 4.39Å; W545-V603 HydrophobicContact CG-CG1 4.36Å; W545-V603 HydrophobicContact CZ2-CG1 4.06Å; F554-V603 HydrophobicContact CD1-CG1 4.23Å; I556-V603 HydrophobicContact CG1-CG1 4.37Å; I556-V603 HydrophobicContact CG1-CG2 4.3Å; I556-V603 HydrophobicContact CG2-CG2 4.48Å; V603-S615 CarbonylContact O-C 3.44Å; V603-S615 WeakPolarHBondContact O-CA 3.08Å; V603-S616 PolarHBondContact N-O 2.91Å; V603-S616 PolarHBondContact O-N 3.35Å |
| 604 | D | 83.8 | Confident | 80.4 | Confident | 41 Ų | 41 | 41.8 Ų | 41.8 | 22% | 0.219 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.5 | 174.2 | -57.4 | -51.8 | 0 | 0 | 0 | 109.7 | F554 T555 G614 S615 | F554-D604 CarbonylContact C-O 3.58Å; F554-D604 VanDerWaalsContact CA-O 3.25Å; F554-D604 WeakPolarHBondContact CA-O 3.29Å; T555-D604 PolarHBondContact N-O 3.11Å; T555-D604 PolarHBondContact O-N 3.46Å; T555-D604 WeakPolarHBondContact OG1-CB 3.39Å; D604-G614 WeakPolarHBondContact CA-O 3.39Å; D604-S615 WeakPolarHBondContact OD1-CB 3.45Å; D604-S615 PolarHBondContact OD1-OG 3.11Å |
| 605 | A | 80.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 121.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108 | F529 F547 A551 F554 S612 V613 G614 | F529-A605 HydrophobicContact CE1-CB 4.22Å; F547-A605 HydrophobicContact CD1-CB 4.2Å; F547-A605 HydrophobicContact CD2-CB 4.41Å; F547-A605 HydrophobicContact CE1-CB 3.81Å; F547-A605 HydrophobicContact CE2-CB 4.05Å; F547-A605 HydrophobicContact CG-CB 4.49Å; F547-A605 HydrophobicContact CZ-CB 3.74Å; A551-A605 HydrophobicContact CB-CB 4.11Å; F554-A605 HydrophobicContact CD1-CB 3.8Å; F554-A605 HydrophobicContact CE1-CB 3.52Å; F554-A605 HydrophobicContact CZ-CB 4.43Å; A605-S612 CarbonylContact O-C 3.59Å; A605-S612 VanDerWaalsContact O-CA 3.3Å; A605-S612 WeakPolarHBondContact O-CA 3.18Å; A605-S612 PolarHBondContact O-OG 3.26Å; A605-V613 WeakPolarHBondContact O-CG2 3.46Å; A605-V613 PolarHBondContact O-N 2.82Å; A605-G614 PolarHBondContact N-O 3.48Å; A605-G614 PolarHBondContact O-N 3.36Å |
| 606 | I | 75.7 | Confident | 79.5 | Confident | 22 Ų | 22 | 41 Ų | 41 | 11% | 0.113 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 132.6 | -179.6 | -56.2 | -172.4 | 0 | 0 | 0 | 108.5 | A551 S552 M553 T555 N610 | A551-I606 CarbonylContact C-O 3.5Å; S552-I606 PolarHBondContact N-O 2.92Å; S552-I606 PolarHBondContact OG-O 2.79Å; M553-I606 HydrophobicContact CE-CD1 4.24Å; M553-I606 HydrophobicContact CG-CB 3.55Å; M553-I606 HydrophobicContact CG-CD1 4.1Å; M553-I606 HydrophobicContact CG-CG1 4.17Å; M553-I606 HydrophobicContact CG-CG2 3.98Å; M553-I606 PolarHBondContact N-O 2.81Å; M553-I606 PolarHBondContact O-N 3.35Å; M553-I606 HydrophobicContact SD-CB 4.37Å; M553-I606 HydrophobicContact SD-CD1 4.05Å; M553-I606 HydrophobicContact SD-CG2 4.32Å; T555-I606 HydrophobicContact CG2-CD1 3.38Å; T555-I606 HydrophobicContact CG2-CG1 4.28Å; I606-N610 VanDerWaalsContact CG2-C 3.49Å; I606-N610 VanDerWaalsContact CG2-CA 3.49Å |
| 607 | G | 69.8 | Low | 79.2 | Confident | 8 Ų | 8 | 47 Ų | 47 | 8% | 0.082 | 25% | 0.248 | C | C | . | . | trans | -86.8 | 178.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S552 N609 N610 T611 | S552-G607 PolarHBondContact OG-O 2.99Å; G607-N609 PolarHBondContact O-N 3.27Å; G607-N610 PolarHBondContact O-N 3.47Å; G607-T611 PolarHBondContact N-O 3.19Å | ||
| 608 | T | 67.7 | Low | 79 | Confident | 125 Ų | 125 | 48.5 Ų | 48.5 | 77% | 0.767 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -24.2 | -176.4 | 53.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 609 | N | 64.2 | Low | 78.8 | Confident | 128 Ų | 128 | 48.1 Ų | 48.1 | 68% | 0.684 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 18.5 | -176.7 | -60.5 | 4.9 | 0 | 0 | 0 | 113.2 | G607 T611 | G607-N609 PolarHBondContact O-N 3.27Å; N609-T611 HydrophobicContact CB-CG2 4.47Å; N609-T611 PolarHBondContact O-N 3.45Å; N609-T611 VanDerWaalsContact O-N 3.15Å |
| 610 | N | 61.7 | Low | 78.7 | Confident | 128 Ų | 128 | 48.4 Ų | 48.4 | 68% | 0.684 | 26% | 0.262 | S | S | * | . | S | Bend | trans | 60.9 | 14.8 | -172.6 | -102.7 | 12.7 | 0 | 0 | 0 | 114.8 | I606 G607 | I606-N610 VanDerWaalsContact CG2-C 3.49Å; I606-N610 VanDerWaalsContact CG2-CA 3.49Å; G607-N610 PolarHBondContact O-N 3.47Å |
| 611 | T | 61 | Low | 78.8 | Confident | 83 Ų | 83 | 45.6 Ų | 45.6 | 51% | 0.509 | 25% | 0.252 | S | S | . | . | trans | -94.2 | 132.6 | 176 | 52.6 | 0 | 0 | 0 | 0 | 110 | G607 N609 V613 | G607-T611 PolarHBondContact N-O 3.19Å; N609-T611 HydrophobicContact CB-CG2 4.47Å; N609-T611 PolarHBondContact O-N 3.45Å; N609-T611 VanDerWaalsContact O-N 3.15Å; T611-V613 PolarHBondContact O-N 2.8Å | ||
| 612 | S | 65.4 | Low | 78.8 | Confident | 42 Ų | 42 | 45.6 Ų | 45.6 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 134.3 | 170.9 | -174.6 | 0 | 0 | 0 | 0 | 109.7 | L526 A605 G614 | L526-S612 WeakPolarHBondContact CD2-O 3.34Å; A605-S612 CarbonylContact O-C 3.59Å; A605-S612 VanDerWaalsContact O-CA 3.3Å; A605-S612 WeakPolarHBondContact O-CA 3.18Å; A605-S612 PolarHBondContact O-OG 3.26Å; S612-G614 PolarHBondContact OG-O 2.82Å |
| 613 | V | 72.2 | Confident | 78.9 | Confident | 49 Ų | 49 | 44.4 Ų | 44.4 | 30% | 0.297 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | -18.6 | 176.9 | -114.7 | 0 | 0 | 0 | 0 | 111.4 | T527 A605 T611 | T527-V613 PolarHBondContact N-O 2.85Å; T527-V613 PolarHBondContact OG1-O 2.82Å; T527-V613 VanDerWaalsContact OG1-O 3.06Å; A605-V613 WeakPolarHBondContact O-CG2 3.46Å; A605-V613 PolarHBondContact O-N 2.82Å; T611-V613 PolarHBondContact O-N 2.8Å |
| 614 | G | 73.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 155.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T527 D604 A605 S612 | T527-G614 WeakPolarHBondContact O-CA 3.41Å; D604-G614 WeakPolarHBondContact CA-O 3.39Å; A605-G614 PolarHBondContact N-O 3.48Å; A605-G614 PolarHBondContact O-N 3.36Å; S612-G614 PolarHBondContact OG-O 2.82Å |
| 615 | S | 79 | Confident | 79.4 | Confident | 16 Ų | 16 | 43 Ų | 43 | 11% | 0.112 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 152.2 | 180 | -177.3 | 0 | 0 | 0 | 0 | 111 | M445 T527 V603 D604 | M445-S615 WeakPolarHBondContact CE-O 3.47Å; T527-S615 PolarHBondContact O-N 3.05Å; V603-S615 CarbonylContact O-C 3.44Å; V603-S615 WeakPolarHBondContact O-CA 3.08Å; D604-S615 WeakPolarHBondContact OD1-CB 3.45Å; D604-S615 PolarHBondContact OD1-OG 3.11Å |
| 616 | S | 81.6 | Confident | 79.8 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 6% | 0.056 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 159.5 | 176.5 | -170 | 0 | 0 | 0 | 0 | 111.6 | F529 I602 V603 | F529-S616 WeakPolarHBondContact O-CB 3.39Å; F529-S616 PolarHBondContact O-OG 3.1Å; I602-S616 CarbonylContact C-O 3.52Å; I602-S616 WeakPolarHBondContact CA-O 3.47Å; V603-S616 PolarHBondContact N-O 2.91Å; V603-S616 PolarHBondContact O-N 3.35Å |
| 617 | F | 86.2 | Confident | 80.3 | Confident | 125 Ų | 125 | 43.7 Ų | 43.7 | 55% | 0.548 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 155.5 | -179.9 | 75 | -88.2 | 0 | 0 | 0 | 113.9 | I601 I602 | I601-F617 CarbonylContact O-C 3.6Å; I601-F617 WeakPolarHBondContact O-CA 3.45Å; I602-F617 HydrophobicContact CG1-CB 4.03Å |
| 618 | L | 89.7 | Confident | 80.7 | Confident | 33 Ų | 33 | 52.3 Ų | 52.3 | 17% | 0.173 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 136.5 | 177.9 | 175.4 | 70.7 | 0 | 0 | 0 | 110 | V531 L533 I543 I601 | V531-L618 HydrophobicContact CB-CB 4.42Å; V531-L618 HydrophobicContact CG1-CB 3.95Å; V531-L618 HydrophobicContact CG1-CD2 4.21Å; L533-L618 HydrophobicContact CB-CD2 3.99Å; L533-L618 HydrophobicContact CD1-CD2 4.5Å; I543-L618 HydrophobicContact CG2-CD2 3.84Å; I601-L618 PolarHBondContact N-O 2.84Å; I601-L618 PolarHBondContact O-N 2.84Å |
| 619 | N | 90.5 | Very high | 81.4 | Confident | 67 Ų | 67 | 50.4 Ų | 50.4 | 36% | 0.358 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 130.4 | 169.5 | -64.5 | -25.8 | 0 | 0 | 0 | 109.8 | Y599 R600 | Y599-N619 CarbonylContact O-C 3.53Å; Y599-N619 VanDerWaalsContact O-CA 3.27Å; Y599-N619 WeakPolarHBondContact O-CA 3.45Å; R600-N619 WeakPolarHBondContact CB-OD1 3.5Å; R600-N619 WeakPolarHBondContact CG-OD1 3.37Å |
| 620 | A | 90.5 | Very high | 82.2 | Confident | 5 Ų | 5 | 45 Ų | 45 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 146.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L533 I541 Y599 | L533-A620 HydrophobicContact CD1-CB 4.03Å; L533-A620 HydrophobicContact CD2-CB 4.32Å; I541-A620 HydrophobicContact CD1-CB 4.17Å; Y599-A620 PolarHBondContact N-O 2.86Å; Y599-A620 PolarHBondContact O-N 3.01Å |
| 621 | W | 93.5 | Very high | 82.7 | Confident | 38 Ų | 38 | 50.5 Ų | 50.5 | 14% | 0.144 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 142.4 | 172.9 | -75.6 | 94.9 | 0 | 0 | 0 | 112.2 | R536 E562 L564 S596 S597 R598 V751 D752 | R536-W621 WeakPolarHBondContact CD-O 3.48Å; E562-W621 HydrophobicContact CG-CH2 3.88Å; E562-W621 HydrophobicContact CG-CZ2 4.13Å; E562-W621 WeakPolarHBondContact OE1-CZ2 3.39Å; L564-W621 HydrophobicContact CD1-CH2 3.84Å; L564-W621 HydrophobicContact CD1-CZ3 3.8Å; L564-W621 HydrophobicContact CD2-CH2 4.43Å; L564-W621 HydrophobicContact CG-CH2 3.76Å; L564-W621 HydrophobicContact CG-CZ3 3.75Å; S596-W621 WeakPolarHBondContact O-CZ3 3.28Å; S597-W621 VanDerWaalsContact C-CE3 3.44Å; S597-W621 WeakPolarHBondContact O-CA 3.4Å; R598-W621 HydrophobicContact CB-CD2 3.72Å; R598-W621 HydrophobicContact CB-CE3 3.96Å; R598-W621 HydrophobicContact CB-CG 4.29Å; R598-W621 HydrophobicContact CB-CH2 4.02Å; R598-W621 HydrophobicContact CB-CZ2 3.8Å; R598-W621 HydrophobicContact CB-CZ3 4.1Å; R598-W621 HydrophobicContact CG-CD2 4.08Å; R598-W621 HydrophobicContact CG-CG 4.21Å; R598-W621 HydrophobicContact CG-CZ2 4.28Å; W621-V751 HydrophobicContact CB-CG1 4.28Å; W621-V751 HydrophobicContact CD2-CG1 3.96Å; W621-V751 HydrophobicContact CE3-CG1 3.61Å; W621-V751 HydrophobicContact CG-CG1 4.28Å; W621-V751 HydrophobicContact CZ3-CG1 4.26Å; W621-D752 HydrophobicContact CB-CB 4Å; W621-D752 HydrophobicContact CG-CB 3.96Å |
| 622 | T | 93.4 | Very high | 83.5 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 148.7 | 160 | 50.2 | 0 | 0 | 0 | 0 | 110.8 | I541 L593 P594 A595 S596 S597 Y599 | I541-T622 HydrophobicContact CD1-CG2 3.95Å; I541-T622 HydrophobicContact CG1-CG2 3.97Å; L593-T622 HydrophobicContact CB-CG2 3.86Å; L593-T622 HydrophobicContact CD1-CG2 4.09Å; P594-T622 PolarHBondContact O-OG1 2.82Å; A595-T622 VanDerWaalsContact C-OG1 3.28Å; A595-T622 WeakPolarHBondContact CA-OG1 3.47Å; S596-T622 PolarHBondContact N-OG1 2.98Å; S597-T622 PolarHBondContact N-OG1 2.96Å; S597-T622 PolarHBondContact O-N 3.3Å; S597-T622 PolarHBondContact O-OG1 2.8Å; Y599-T622 HydrophobicContact CD2-CG2 4.27Å; Y599-T622 HydrophobicContact CE2-CG2 3.8Å |
| 623 | S | 91 | Very high | 84.5 | Confident | 14 Ų | 14 | 52.9 Ų | 52.9 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 166.3 | 178.8 | -62 | 0 | 0 | 0 | 0 | 112.5 | S537 Y538 S596 S754 | S537-S623 PolarHBondContact O-N 3.3Å; Y538-S623 WeakPolarHBondContact CA-O 3.18Å; Y538-S623 WeakPolarHBondContact CB-O 3.3Å; S596-S623 PolarHBondContact N-O 2.87Å; S596-S623 VanDerWaalsContact N-O 3.09Å; S623-S754 WeakPolarHBondContact CA-OG 3.49Å; S623-S754 WeakPolarHBondContact CB-OG 3.18Å; S623-S754 VanDerWaalsContact OG-CB 3.28Å; S623-S754 WeakPolarHBondContact OG-CB 3.4Å; S623-S754 PolarHBondContact OG-OG 3.29Å |
| 624 | P | 90.7 | Very high | 85 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 144.6 | 170.9 | -18 | 31.1 | 0 | 0 | 0 | 111.8 | Y538 S596 S749 V751 E756 | Y538-P624 VanDerWaalsContact CB-O 3.26Å; Y538-P624 WeakPolarHBondContact CB-O 3.26Å; S596-P624 WeakPolarHBondContact OG-CA 3.45Å; P624-S749 WeakPolarHBondContact CB-OG 3.25Å; P624-V751 HydrophobicContact CG-CB 4.04Å; P624-V751 HydrophobicContact CG-CG2 3.93Å; P624-E756 HydrophobicContact CB-CB 4.41Å; P624-E756 HydrophobicContact CB-CG 4.35Å |
| 625 | A | 89.4 | Confident | 85.9 | Confident | 12 Ų | 12 | 54 Ų | 54 | 10% | 0.099 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 141.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y538 A595 F627 Y658 G660 | Y538-A625 HydrophobicContact CD2-CB 4.09Å; Y538-A625 HydrophobicContact CG-CB 4.3Å; A595-A625 HydrophobicContact CB-CB 3.92Å; A625-F627 PolarHBondContact O-N 3.47Å; A625-Y658 WeakPolarHBondContact O-CE2 3.44Å; A625-Y658 PolarHBondContact O-OH 3.31Å; A625-G660 PolarHBondContact N-O 3.11Å |
| 626 | P | 88.8 | Confident | 86.3 | Confident | 28 Ų | 28 | 56.8 Ų | 56.8 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 137.6 | 175.4 | -26.6 | 32.6 | 0 | 0 | 0 | 111.8 | Y538 Q628 N629 | Y538-P626 HydrophobicContact CD1-CG 3.96Å; Y538-P626 HydrophobicContact CE1-CG 3.91Å; P626-Q628 PolarHBondContact O-N 3.2Å; P626-Q628 VanDerWaalsContact O-N 3.08Å; P626-N629 WeakPolarHBondContact O-CB 3.26Å; P626-N629 PolarHBondContact O-N 3.28Å |
| 627 | F | 85.9 | Confident | 86.6 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -54 | -32.8 | 179.9 | -74.7 | -89.7 | 0 | 0 | 0 | 113.6 | A625 N629 S630 F633 Y658 L663 I747 E756 V758 | A625-F627 PolarHBondContact O-N 3.47Å; F627-N629 PolarHBondContact O-N 3.13Å; F627-S630 PolarHBondContact O-N 3.06Å; F627-F633 HydrophobicContact CB-CD1 4.34Å; F627-F633 HydrophobicContact CB-CE1 4.37Å; F627-F633 HydrophobicContact CD1-CD2 4.09Å; F627-F633 HydrophobicContact CD1-CE1 4.19Å; F627-F633 AromaticContact CD1-CE2 3.66Å; F627-F633 HydrophobicContact CD1-CE2 3.66Å; F627-F633 AromaticContact CD1-CZ 3.73Å; F627-F633 HydrophobicContact CD1-CZ 3.73Å; F627-F633 HydrophobicContact CE1-CE2 4.09Å; F627-F633 HydrophobicContact CE1-CZ 4.26Å; F627-Y658 HydrophobicContact CB-CD2 4.42Å; F627-Y658 HydrophobicContact CB-CE2 4.45Å; F627-Y658 HydrophobicContact CD1-CD1 4.44Å; F627-Y658 AromaticContact CD1-CD2 3.24Å; F627-Y658 HydrophobicContact CD1-CD2 3.24Å; F627-Y658 AromaticContact CD1-CE2 3.57Å; F627-Y658 HydrophobicContact CD1-CE2 3.57Å; F627-Y658 AromaticContact CD1-CG 3.72Å; F627-Y658 HydrophobicContact CD1-CG 3.72Å; F627-Y658 HydrophobicContact CD2-CE2 4.27Å; F627-Y658 AromaticContact CE1-CD1 3.92Å; F627-Y658 HydrophobicContact CE1-CD1 3.92Å; F627-Y658 AromaticContact CE1-CD2 3.57Å; F627-Y658 HydrophobicContact CE1-CD2 3.57Å; F627-Y658 HydrophobicContact CE1-CE1 4.08Å; F627-Y658 AromaticContact CE1-CE2 3.78Å; F627-Y658 HydrophobicContact CE1-CE2 3.78Å; F627-Y658 AromaticContact CE1-CG 3.62Å; F627-Y658 HydrophobicContact CE1-CG 3.62Å; F627-Y658 HydrophobicContact CE2-CE2 4.43Å; F627-Y658 AromaticContact CG-CD2 3.91Å; F627-Y658 HydrophobicContact CG-CD2 3.91Å; F627-Y658 AromaticContact CG-CE2 3.85Å; F627-Y658 HydrophobicContact CG-CE2 3.85Å; F627-Y658 HydrophobicContact CZ-CD2 4.42Å; F627-Y658 HydrophobicContact CZ-CE1 4.26Å; F627-Y658 HydrophobicContact CZ-CE2 4.2Å; F627-L663 HydrophobicContact CE1-CD2 3.76Å; F627-L663 HydrophobicContact CZ-CD2 3.77Å; F627-I747 HydrophobicContact CE1-CG2 4.23Å; F627-I747 HydrophobicContact CZ-CG2 4.07Å; F627-E756 HydrophobicContact CD2-CB 4.38Å; F627-E756 HydrophobicContact CE2-CB 4.17Å; F627-V758 HydrophobicContact CB-CB 4.01Å; F627-V758 HydrophobicContact CB-CG1 4.32Å; F627-V758 HydrophobicContact CB-CG2 4.27Å; F627-V758 HydrophobicContact CD1-CB 4.15Å; F627-V758 HydrophobicContact CD1-CG1 3.55Å; F627-V758 HydrophobicContact CD2-CB 3.69Å; F627-V758 HydrophobicContact CD2-CG1 3.82Å; F627-V758 HydrophobicContact CE1-CG1 3.67Å; F627-V758 HydrophobicContact CE2-CB 4.17Å; F627-V758 HydrophobicContact CE2-CG1 3.94Å; F627-V758 HydrophobicContact CG-CB 3.68Å; F627-V758 HydrophobicContact CG-CG1 3.63Å; F627-V758 HydrophobicContact CG-CG2 4.44Å; F627-V758 HydrophobicContact CZ-CG1 3.87Å |
| 628 | Q | 80 | Confident | 86.5 | Confident | 190 Ų | 190 | 53.2 Ų | 53.2 | 89% | 0.888 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -64.5 | -21.9 | 178.9 | -62.7 | 176 | 6.1 | 0 | 0 | 113.4 | P626 S630 | P626-Q628 PolarHBondContact O-N 3.2Å; P626-Q628 VanDerWaalsContact O-N 3.08Å; Q628-S630 VanDerWaalsContact C-N 3.29Å |
| 629 | N | 81.1 | Confident | 86.2 | Confident | 85 Ų | 85 | 56.5 Ų | 56.5 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -78.2 | -16.6 | 179.6 | -69.6 | -7.1 | 0 | 0 | 0 | 112.5 | Y538 P626 F627 R631 | Y538-N629 PolarHBondContact OH-ND2 3.33Å; P626-N629 WeakPolarHBondContact O-CB 3.26Å; P626-N629 PolarHBondContact O-N 3.28Å; F627-N629 PolarHBondContact O-N 3.13Å; N629-R631 PolarHBondContact O-N 3.38Å |
| 630 | S | 81.8 | Confident | 85.6 | Confident | 14 Ų | 14 | 54.7 Ų | 54.7 | 10% | 0.098 | 28% | 0.28 | C | S | . | . | trans | -81.6 | 105.3 | 176.5 | -68.3 | 0 | 0 | 0 | 0 | 110.2 | F627 Q628 N632 F633 G657 E659 | F627-S630 PolarHBondContact O-N 3.06Å; Q628-S630 VanDerWaalsContact C-N 3.29Å; S630-N632 PolarHBondContact O-N 3.09Å; S630-F633 WeakPolarHBondContact O-CB 3.48Å; S630-F633 PolarHBondContact O-N 3.32Å; S630-G657 VanDerWaalsContact CB-O 3.3Å; S630-G657 WeakPolarHBondContact CB-O 3.47Å; S630-E659 PolarHBondContact OG-N 2.82Å | ||
| 631 | R | 72 | Confident | 85.1 | Confident | 244 Ų | 244 | 58.5 Ų | 58.5 | 92% | 0.921 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -30.4 | -172.6 | -71.2 | -175.7 | 179.6 | 178.9 | 0.4 | 114.9 | N629 | N629-R631 PolarHBondContact O-N 3.38Š|
| 632 | N | 77.4 | Confident | 84.1 | Confident | 130 Ų | 130 | 61.6 Ų | 61.6 | 70% | 0.695 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | 17.5 | -176.7 | -66.4 | -18.9 | 0 | 0 | 0 | 112.6 | S630 S634 | S630-N632 PolarHBondContact O-N 3.09Å; N632-S634 PolarHBondContact O-N 2.95Å |
| 633 | F | 86 | Confident | 82.9 | Confident | 44 Ų | 44 | 65.7 Ų | 65.7 | 19% | 0.193 | 34% | 0.339 | C | S | . | . | trans | -68.2 | 121.7 | 178.8 | -177.4 | -104.9 | 0 | 0 | 0 | 110.9 | F627 S630 F635 S656 V758 | F627-F633 HydrophobicContact CB-CD1 4.34Å; F627-F633 HydrophobicContact CB-CE1 4.37Å; F627-F633 HydrophobicContact CD1-CD2 4.09Å; F627-F633 HydrophobicContact CD1-CE1 4.19Å; F627-F633 AromaticContact CD1-CE2 3.66Å; F627-F633 HydrophobicContact CD1-CE2 3.66Å; F627-F633 AromaticContact CD1-CZ 3.73Å; F627-F633 HydrophobicContact CD1-CZ 3.73Å; F627-F633 HydrophobicContact CE1-CE2 4.09Å; F627-F633 HydrophobicContact CE1-CZ 4.26Å; S630-F633 WeakPolarHBondContact O-CB 3.48Å; S630-F633 PolarHBondContact O-N 3.32Å; F633-F635 HydrophobicContact CE1-CB 3.84Å; F633-F635 HydrophobicContact CZ-CB 3.83Å; F633-F635 HydrophobicContact CZ-CD1 4.45Å; F633-F635 HydrophobicContact CZ-CG 4.32Å; F633-S656 VanDerWaalsContact CA-O 3.3Å; F633-S656 WeakPolarHBondContact CA-O 3.45Å; F633-S656 WeakPolarHBondContact CD2-O 3.14Å; F633-V758 HydrophobicContact CE1-CB 4.38Å; F633-V758 HydrophobicContact CE1-CG1 3.89Å; F633-V758 HydrophobicContact CE1-CG2 3.78Å; F633-V758 HydrophobicContact CZ-CG1 3.55Å; F633-V758 HydrophobicContact CZ-CG2 4.33Å | ||
| 634 | S | 84.3 | Confident | 81.7 | Confident | 50 Ų | 50 | 67.5 Ų | 67.5 | 35% | 0.35 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 137.2 | 173.6 | 73.6 | 0 | 0 | 0 | 0 | 110.2 | N632 F655 S656 | N632-S634 PolarHBondContact O-N 2.95Å; S634-F655 VanDerWaalsContact O-CA 3.23Å; S634-F655 WeakPolarHBondContact O-CA 3.01Å; S634-S656 PolarHBondContact N-O 3.4Å; S634-S656 PolarHBondContact O-N 3.45Å; S634-S656 PolarHBondContact OG-OG 2.95Å |
| 635 | F | 91 | Very high | 80.7 | Confident | 23 Ų | 23 | 69.5 Ų | 69.5 | 10% | 0.101 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 108.4 | 178 | -166.4 | -168 | 0 | 0 | 0 | 110.3 | F633 F652 P653 F655 A745 I747 V758 R759 S760 P761 | F633-F635 HydrophobicContact CE1-CB 3.84Å; F633-F635 HydrophobicContact CZ-CB 3.83Å; F633-F635 HydrophobicContact CZ-CD1 4.45Å; F633-F635 HydrophobicContact CZ-CG 4.32Å; F635-F652 HydrophobicContact CE2-CE1 4.39Å; F635-F652 HydrophobicContact CZ-CE1 4.48Å; F635-P653 HydrophobicContact CD2-CB 4.38Å; F635-P653 HydrophobicContact CD2-CG 4.39Å; F635-P653 HydrophobicContact CE2-CB 4.01Å; F635-P653 HydrophobicContact CE2-CG 3.59Å; F635-P653 HydrophobicContact CZ-CG 4.13Å; F635-F655 HydrophobicContact CD2-CB 3.78Å; F635-F655 HydrophobicContact CE2-CB 4.24Å; F635-F655 HydrophobicContact CG-CB 4.47Å; F635-A745 HydrophobicContact CE2-CB 4.39Å; F635-A745 HydrophobicContact CZ-CB 3.74Å; F635-I747 HydrophobicContact CD1-CD1 4.28Å; F635-I747 HydrophobicContact CD2-CD1 3.92Å; F635-I747 HydrophobicContact CE1-CD1 3.87Å; F635-I747 HydrophobicContact CE1-CG1 3.98Å; F635-I747 HydrophobicContact CE2-CD1 3.44Å; F635-I747 VanDerWaalsContact CE2-CD1 3.44Å; F635-I747 HydrophobicContact CE2-CG1 4.03Å; F635-I747 HydrophobicContact CG-CD1 4.31Å; F635-I747 HydrophobicContact CZ-CD1 3.44Å; F635-I747 VanDerWaalsContact CZ-CD1 3.44Å; F635-I747 HydrophobicContact CZ-CG1 3.55Å; F635-V758 HydrophobicContact CD1-CG1 4.17Å; F635-V758 HydrophobicContact CE1-CG1 4.38Å; F635-R759 VanDerWaalsContact CD1-C 3.5Å; F635-S760 VanDerWaalsContact CD1-CA 3.47Å; F635-S760 VanDerWaalsContact CD1-N 3.33Å; F635-P761 VanDerWaalsContact O-CD 3.3Å; F635-P761 WeakPolarHBondContact O-CD 3.5Å |
| 636 | N | 88 | Confident | 80 | Confident | 74 Ų | 74 | 71 Ų | 71 | 40% | 0.396 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 154.1 | -174.4 | -72.9 | -29.5 | 0 | 0 | 0 | 112.3 | P653 T654 S760 | N636-P653 HydrophobicContact CB-CB 4.46Å; N636-P653 WeakPolarHBondContact O-CB 3.25Å; N636-T654 WeakPolarHBondContact CB-O 3.47Å; N636-T654 PolarHBondContact N-O 2.9Å; N636-T654 VanDerWaalsContact N-O 3.12Å; N636-T654 PolarHBondContact ND2-OG1 2.03Å; N636-S760 WeakPolarHBondContact O-CB 3.23Å |
| 637 | P | 86.9 | Confident | 79.6 | Confident | 57 Ų | 57 | 72.7 Ų | 72.7 | 37% | 0.37 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 153.1 | 172.5 | 26.4 | -33.4 | 0 | 0 | 0 | 111.6 | P761 V763 | P637-P761 HydrophobicContact CB-CB 4.13Å; P637-P761 HydrophobicContact CB-CG 4.36Å; P637-V763 HydrophobicContact CB-CG2 3.95Å |
| 638 | V | 85.7 | Confident | 79.4 | Confident | 2 Ų | 2 | 72.4 Ų | 72.4 | 1% | 0.012 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -69 | 133.3 | 170.3 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | P640 V650 P653 V743 A745 V763 | V638-P640 WeakPolarHBondContact O-CD 3.37Å; V638-V650 HydrophobicContact CG1-CB 4.11Å; V638-V650 HydrophobicContact CG1-CG1 3.15Å; V638-P653 HydrophobicContact CG2-CG 3.79Å; V638-V743 HydrophobicContact CB-CG1 4.4Å; V638-V743 HydrophobicContact CG1-CG1 4.11Å; V638-V743 HydrophobicContact CG1-CG2 3.98Å; V638-A745 HydrophobicContact CG2-CB 3.87Å; V638-V763 WeakPolarHBondContact O-CG2 3.4Å |
| 639 | V | 81.6 | Confident | 79.7 | Confident | 101 Ų | 101 | 65 Ų | 65 | 61% | 0.612 | 35% | 0.353 | S | S | * | . | trans | -104.4 | 99.6 | 178.4 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | V650 | V639-V650 WeakPolarHBondContact O-CG1 3.31Š| ||
| 640 | P | 78.4 | Confident | 79.9 | Confident | 29 Ų | 29 | 61.1 Ų | 61.1 | 19% | 0.188 | 33% | 0.332 | C | S | . | . | trans | -74.9 | 128.6 | 175.7 | 29.3 | -32.7 | 0 | 0 | 0 | 111.6 | V638 V648 V650 V763 F765 | V638-P640 WeakPolarHBondContact O-CD 3.37Å; P640-V648 HydrophobicContact CB-CG1 3.45Å; P640-V648 VanDerWaalsContact CB-CG1 3.45Å; P640-V650 HydrophobicContact CB-CG1 4.38Å; P640-V763 HydrophobicContact CG-CG1 3.79Å; P640-F765 HydrophobicContact CB-CD1 4.47Å | ||
| 641 | V | 80.2 | Confident | 80 | Confident | 86 Ų | 86 | 66.8 Ų | 66.8 | 52% | 0.521 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 113.8 | 172.2 | -177.3 | 0 | 0 | 0 | 0 | 108.1 | N643 N649 | V641-N643 PolarHBondContact O-N 3.49Å; V641-N649 PolarHBondContact N-O 2.79Å; V641-N649 PolarHBondContact O-N 2.9Å |
| 642 | F | 73.4 | Confident | 80.8 | Confident | 102 Ų | 102 | 55.7 Ų | 55.7 | 45% | 0.447 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 126.2 | 179.3 | -71 | -87.5 | 0 | 0 | 0 | 110.9 | V648 F765 L766 | F642-V648 HydrophobicContact CD1-CG2 3.9Å; F642-V648 HydrophobicContact CE1-CG2 4.08Å; F642-F765 AromaticContact CE1-CD2 3.87Å; F642-F765 HydrophobicContact CE1-CD2 3.87Å; F642-F765 HydrophobicContact CE2-CB 4.31Å; F642-F765 HydrophobicContact CZ-CB 3.71Å; F642-F765 AromaticContact CZ-CD2 3.92Å; F642-F765 HydrophobicContact CZ-CD2 3.92Å; F642-F765 HydrophobicContact CZ-CG 4.21Å; F642-L766 VanDerWaalsContact CE1-O 3.23Å; F642-L766 WeakPolarHBondContact CE1-O 3.48Å; F642-L766 VanDerWaalsContact CZ-O 3.29Å; F642-L766 WeakPolarHBondContact CZ-O 3.22Å |
| 643 | N | 67.3 | Low | 81.1 | Confident | 86 Ų | 86 | 49.9 Ų | 49.9 | 46% | 0.46 | 28% | 0.283 | S | S | . | . | trans | -121.6 | 58.1 | 178.7 | -171.1 | 21.4 | 0 | 0 | 0 | 109.5 | V641 L647 N649 | V641-N643 PolarHBondContact O-N 3.49Å; N643-L647 CarbonylContact C-O 3.56Å; N643-L647 PolarHBondContact N-O 2.72Å; N643-L647 WeakPolarHBondContact O-CB 3.12Å; N643-N649 PolarHBondContact ND2-ND2 3.21Å; N643-N649 VanDerWaalsContact ND2-ND2 3.13Å; N643-N649 PolarHBondContact ND2-OD1 3.43Å | ||
| 644 | G | 65.3 | Low | 81 | Confident | 53 Ų | 53 | 51.9 Ų | 51.9 | 55% | 0.546 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 110.8 | -176.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L646 | G644-L646 PolarHBondContact O-N 2.67Š|
| 645 | S | 70.6 | Confident | 81.1 | Confident | 43 Ų | 43 | 51.4 Ų | 51.4 | 30% | 0.301 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -69.5 | -30.3 | -177.1 | 52.1 | 0 | 0 | 0 | 0 | 113.3 | T767 G768 N770 | S645-T767 WeakPolarHBondContact O-CB 3.37Å; S645-G768 PolarHBondContact O-N 3.01Å; S645-N770 PolarHBondContact OG-OD1 2.54Å |
| 646 | L | 75.5 | Confident | 80.8 | Confident | 43 Ų | 43 | 53.3 Ų | 53.3 | 23% | 0.225 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -126.9 | 0.6 | -170.5 | -56.9 | -178.7 | 0 | 0 | 0 | 115.3 | G644 L735 P737 | G644-L646 PolarHBondContact O-N 2.67Å; L646-L735 WeakPolarHBondContact CD2-O 2.94Å; L646-L735 WeakPolarHBondContact O-CB 3.4Å; L646-L735 WeakPolarHBondContact O-CD1 3.3Å; L646-P737 VanDerWaalsContact CD2-CA 3.49Å; L646-P737 HydrophobicContact CD2-CB 3.83Å; L646-P737 HydrophobicContact CD2-CG 4.41Å |
| 647 | L | 79.7 | Confident | 80.6 | Confident | 64 Ų | 64 | 51.2 Ų | 51.2 | 34% | 0.335 | 30% | 0.303 | S | S | . | . | trans | -118.1 | 129.6 | -178.8 | -69.6 | 167.8 | 0 | 0 | 0 | 109.9 | N643 I711 I712 G713 | N643-L647 CarbonylContact C-O 3.56Å; N643-L647 PolarHBondContact N-O 2.72Å; N643-L647 WeakPolarHBondContact O-CB 3.12Å; L647-I711 HydrophobicContact CD2-CG2 3.98Å; L647-I712 WeakPolarHBondContact CA-O 3.41Å; L647-G713 VanDerWaalsContact CD2-C 3.41Å; L647-G713 WeakPolarHBondContact CD2-O 3.38Å | ||
| 648 | V | 82.1 | Confident | 80.6 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 115.7 | -178 | 179.3 | 0 | 0 | 0 | 0 | 109.5 | P640 F642 I712 L735 F765 | P640-V648 HydrophobicContact CB-CG1 3.45Å; P640-V648 VanDerWaalsContact CB-CG1 3.45Å; F642-V648 HydrophobicContact CD1-CG2 3.9Å; F642-V648 HydrophobicContact CE1-CG2 4.08Å; V648-I712 HydrophobicContact CB-CB 4.29Å; V648-I712 PolarHBondContact N-O 3.39Å; V648-I712 WeakPolarHBondContact O-CB 3.31Å; V648-I712 PolarHBondContact O-N 2.74Å; V648-L735 HydrophobicContact CG2-CD1 3.93Å; V648-F765 HydrophobicContact CG2-CD2 4.1Å; V648-F765 HydrophobicContact CG2-CE2 3.65Å; V648-F765 HydrophobicContact CG2-CZ 4.12Å |
| 649 | N | 85.8 | Confident | 80.4 | Confident | 35 Ų | 35 | 55.4 Ų | 55.4 | 19% | 0.187 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 134.9 | 175.4 | -65.4 | -8.6 | 0 | 0 | 0 | 109.5 | V641 N643 I709 | V641-N649 PolarHBondContact N-O 2.79Å; V641-N649 PolarHBondContact O-N 2.9Å; N643-N649 PolarHBondContact ND2-ND2 3.21Å; N643-N649 VanDerWaalsContact ND2-ND2 3.13Å; N643-N649 PolarHBondContact ND2-OD1 3.43Å; N649-I709 HydrophobicContact CB-CG2 3.97Å |
| 650 | V | 84.8 | Confident | 80.5 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.012 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 147 | 178.2 | -104.9 | 0 | 0 | 0 | 0 | 110.4 | V638 V639 P640 I710 I712 | V638-V650 HydrophobicContact CG1-CB 4.11Å; V638-V650 HydrophobicContact CG1-CG1 3.15Å; V639-V650 WeakPolarHBondContact O-CG1 3.31Å; P640-V650 HydrophobicContact CB-CG1 4.38Å; V650-I710 HydrophobicContact CG2-CB 4.4Å; V650-I710 WeakPolarHBondContact CG2-O 3.49Å; V650-I710 PolarHBondContact N-O 2.96Å; V650-I710 PolarHBondContact O-N 3.31Å; V650-I712 HydrophobicContact CG2-CD1 3.32Å; V650-I712 HydrophobicContact CG2-CG1 3.52Å |
| 651 | K | 83.8 | Confident | 80.9 | Confident | 133 Ų | 133 | 49.7 Ų | 49.7 | 58% | 0.578 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 147.8 | 164.1 | -72.4 | -175.4 | 176.7 | -176.9 | 0 | 108.7 | I709 | K651-I709 HydrophobicContact CG-CG1 4.09Å |
| 652 | F | 88.6 | Confident | 81.2 | Confident | 12 Ų | 12 | 46.9 Ų | 46.9 | 5% | 0.053 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 130.3 | 173 | -158.1 | -90.5 | 0 | 0 | 0 | 109.2 | F635 F655 F666 Y667 I668 P706 A745 I747 | F635-F652 HydrophobicContact CE2-CE1 4.39Å; F635-F652 HydrophobicContact CZ-CE1 4.48Å; F652-F655 HydrophobicContact CD1-CE1 4.48Å; F652-F655 HydrophobicContact CE1-CD1 4.24Å; F652-F655 HydrophobicContact CE1-CE1 4.2Å; F652-F666 HydrophobicContact CE1-CB 4.39Å; F652-F666 AromaticContact CE1-CD1 3.79Å; F652-F666 HydrophobicContact CE1-CD1 3.79Å; F652-F666 HydrophobicContact CE2-CB 3.82Å; F652-F666 HydrophobicContact CZ-CB 3.73Å; F652-F666 AromaticContact CZ-CD1 3.83Å; F652-F666 HydrophobicContact CZ-CD1 3.83Å; F652-F666 HydrophobicContact CZ-CG 4.28Å; F652-Y667 WeakPolarHBondContact CE2-O 3.42Å; F652-I668 HydrophobicContact CD2-CD1 4.11Å; F652-I668 HydrophobicContact CD2-CG1 3.84Å; F652-I668 HydrophobicContact CE2-CG1 4.08Å; F652-P706 HydrophobicContact CB-CG 3.97Å; F652-P706 WeakPolarHBondContact CB-O 3.37Å; F652-P706 HydrophobicContact CD1-CG 4.17Å; F652-P706 HydrophobicContact CD2-CG 3.93Å; F652-P706 HydrophobicContact CG-CG 3.75Å; F652-A745 HydrophobicContact CE2-CB 3.97Å; F652-A745 HydrophobicContact CZ-CB 3.97Å; F652-I747 HydrophobicContact CE1-CD1 4.37Å; F652-I747 HydrophobicContact CE1-CG1 4.01Å; F652-I747 HydrophobicContact CZ-CG1 4.05Å |
| 653 | P | 85 | Confident | 81.8 | Confident | 7 Ų | 7 | 44 Ų | 44 | 5% | 0.045 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 143.2 | -176.1 | 15.5 | -23.4 | 0 | 0 | 0 | 111.7 | F635 N636 V638 A745 | F635-P653 HydrophobicContact CD2-CB 4.38Å; F635-P653 HydrophobicContact CD2-CG 4.39Å; F635-P653 HydrophobicContact CE2-CB 4.01Å; F635-P653 HydrophobicContact CE2-CG 3.59Å; F635-P653 HydrophobicContact CZ-CG 4.13Å; N636-P653 HydrophobicContact CB-CB 4.46Å; N636-P653 WeakPolarHBondContact O-CB 3.25Å; V638-P653 HydrophobicContact CG2-CG 3.79Å; P653-A745 HydrophobicContact CG-CB 3.4Å; P653-A745 VanDerWaalsContact CG-CB 3.4Å |
| 654 | T | 84 | Confident | 82.6 | Confident | 87 Ų | 87 | 43.4 Ų | 43.4 | 53% | 0.534 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 137.5 | 174.5 | 49.3 | 0 | 0 | 0 | 0 | 110.5 | N636 | N636-T654 WeakPolarHBondContact CB-O 3.47Å; N636-T654 PolarHBondContact N-O 2.9Å; N636-T654 VanDerWaalsContact N-O 3.12Å; N636-T654 PolarHBondContact ND2-OG1 2.03Å |
| 655 | F | 86.3 | Confident | 83.6 | Confident | 40 Ų | 40 | 40.9 Ų | 40.9 | 18% | 0.175 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 154.1 | 176.7 | 61.7 | -89.7 | 0 | 0 | 0 | 109.7 | S634 F635 F652 L663 F666 N705 I747 | S634-F655 VanDerWaalsContact O-CA 3.23Å; S634-F655 WeakPolarHBondContact O-CA 3.01Å; F635-F655 HydrophobicContact CD2-CB 3.78Å; F635-F655 HydrophobicContact CE2-CB 4.24Å; F635-F655 HydrophobicContact CG-CB 4.47Å; F652-F655 HydrophobicContact CD1-CE1 4.48Å; F652-F655 HydrophobicContact CE1-CD1 4.24Å; F652-F655 HydrophobicContact CE1-CE1 4.2Å; F655-L663 HydrophobicContact CD2-CD1 3.98Å; F655-L663 HydrophobicContact CE2-CD1 3.32Å; F655-L663 HydrophobicContact CZ-CD1 4.09Å; F655-F666 HydrophobicContact CE1-CD1 4.18Å; F655-F666 AromaticContact CE1-CE1 3.64Å; F655-F666 HydrophobicContact CE1-CE1 3.64Å; F655-F666 HydrophobicContact CE2-CE1 4.42Å; F655-F666 HydrophobicContact CZ-CD1 4.43Å; F655-F666 AromaticContact CZ-CE1 3.46Å; F655-F666 HydrophobicContact CZ-CE1 3.46Å; F655-F666 VanDerWaalsContact CZ-CE1 3.46Å; F655-F666 HydrophobicContact CZ-CZ 4.09Å; F655-N705 HydrophobicContact CZ-CB 4.4Å; F655-I747 HydrophobicContact CB-CD1 3.61Å; F655-I747 HydrophobicContact CD1-CD1 3.35Å; F655-I747 HydrophobicContact CD1-CG1 4.38Å; F655-I747 HydrophobicContact CD2-CD1 3.91Å; F655-I747 HydrophobicContact CE1-CD1 3.97Å; F655-I747 HydrophobicContact CE2-CD1 4.47Å; F655-I747 HydrophobicContact CG-CD1 3.32Å; F655-I747 HydrophobicContact CZ-CD1 4.49Å |
| 656 | S | 83.7 | Confident | 84.4 | Confident | 63 Ų | 63 | 38.9 Ų | 38.9 | 44% | 0.441 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 160.9 | 177.4 | 63.5 | 0 | 0 | 0 | 0 | 111.5 | F633 S634 | F633-S656 VanDerWaalsContact CA-O 3.3Å; F633-S656 WeakPolarHBondContact CA-O 3.45Å; F633-S656 WeakPolarHBondContact CD2-O 3.14Å; S634-S656 PolarHBondContact N-O 3.4Å; S634-S656 PolarHBondContact O-N 3.45Å; S634-S656 PolarHBondContact OG-OG 2.95Å |
| 657 | G | 83.2 | Confident | 85.1 | Confident | 30 Ų | 30 | 37.3 Ų | 37.3 | 31% | 0.309 | 20% | 0.204 | S | C | . | . | trans | 85.2 | 8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | S630 | S630-G657 VanDerWaalsContact CB-O 3.3Å; S630-G657 WeakPolarHBondContact CB-O 3.47Å | ||
| 658 | Y | 87.1 | Confident | 85.5 | Confident | 23 Ų | 23 | 34.3 Ų | 34.3 | 9% | 0.09 | 19% | 0.188 | C | C | . | . | trans | -79.9 | 126 | 172.5 | -179.2 | -114.2 | 0 | 0 | 0 | 111 | A625 F627 G661 L663 S749 | A625-Y658 WeakPolarHBondContact O-CE2 3.44Å; A625-Y658 PolarHBondContact O-OH 3.31Å; F627-Y658 HydrophobicContact CB-CD2 4.42Å; F627-Y658 HydrophobicContact CB-CE2 4.45Å; F627-Y658 HydrophobicContact CD1-CD1 4.44Å; F627-Y658 AromaticContact CD1-CD2 3.24Å; F627-Y658 HydrophobicContact CD1-CD2 3.24Å; F627-Y658 AromaticContact CD1-CE2 3.57Å; F627-Y658 HydrophobicContact CD1-CE2 3.57Å; F627-Y658 AromaticContact CD1-CG 3.72Å; F627-Y658 HydrophobicContact CD1-CG 3.72Å; F627-Y658 HydrophobicContact CD2-CE2 4.27Å; F627-Y658 AromaticContact CE1-CD1 3.92Å; F627-Y658 HydrophobicContact CE1-CD1 3.92Å; F627-Y658 AromaticContact CE1-CD2 3.57Å; F627-Y658 HydrophobicContact CE1-CD2 3.57Å; F627-Y658 HydrophobicContact CE1-CE1 4.08Å; F627-Y658 AromaticContact CE1-CE2 3.78Å; F627-Y658 HydrophobicContact CE1-CE2 3.78Å; F627-Y658 AromaticContact CE1-CG 3.62Å; F627-Y658 HydrophobicContact CE1-CG 3.62Å; F627-Y658 HydrophobicContact CE2-CE2 4.43Å; F627-Y658 AromaticContact CG-CD2 3.91Å; F627-Y658 HydrophobicContact CG-CD2 3.91Å; F627-Y658 AromaticContact CG-CE2 3.85Å; F627-Y658 HydrophobicContact CG-CE2 3.85Å; F627-Y658 HydrophobicContact CZ-CD2 4.42Å; F627-Y658 HydrophobicContact CZ-CE1 4.26Å; F627-Y658 HydrophobicContact CZ-CE2 4.2Å; Y658-G661 WeakPolarHBondContact CE1-O 3.48Å; Y658-L663 HydrophobicContact CD1-CD1 4.24Å; Y658-L663 HydrophobicContact CD1-CD2 3.32Å; Y658-L663 HydrophobicContact CD1-CG 3.79Å; Y658-L663 HydrophobicContact CE1-CD2 3.52Å; Y658-L663 HydrophobicContact CE1-CG 4.26Å; Y658-L663 HydrophobicContact CG-CD2 4.21Å; Y658-S749 VanDerWaalsContact OH-CB 3.26Å; Y658-S749 WeakPolarHBondContact OH-CB 3.29Å; Y658-S749 PolarHBondContact OH-OG 3.01Å; Y658-S749 VanDerWaalsContact OH-OG 3.11Å | ||
| 659 | E | 82.2 | Confident | 85.9 | Confident | 123 Ų | 123 | 34.2 Ų | 34.2 | 58% | 0.575 | 19% | 0.188 | S | C | * | . | trans | -122.8 | 4.9 | -178.9 | -64.4 | 178.6 | 173.9 | 0 | 0 | 112.2 | L565 S630 | L565-E659 WeakPolarHBondContact CD2-O 3.21Å; S630-E659 PolarHBondContact OG-N 2.82Å | ||
| 660 | G | 84.7 | Confident | 85.9 | Confident | 4 Ų | 4 | 33 Ų | 33 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -81.1 | -13.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | S596 A625 | S596-G660 PolarHBondContact OG-O 3.32Å; A625-G660 PolarHBondContact N-O 3.11Å |
| 661 | G | 86.5 | Confident | 86 | Confident | 7 Ų | 7 | 35.6 Ų | 35.6 | 7% | 0.072 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 165.1 | -175.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S596 Y658 | S596-G661 VanDerWaalsContact OG-CA 3.23Å; S596-G661 WeakPolarHBondContact OG-CA 3.07Å; Y658-G661 WeakPolarHBondContact CE1-O 3.48Å |
| 662 | P | 86.1 | Confident | 86 | Confident | 26 Ų | 26 | 32.1 Ų | 32.1 | 17% | 0.169 | 18% | 0.178 | C | C | . | . | trans | -76.1 | 140.3 | -179.7 | 33.3 | -36.9 | 0 | 0 | 0 | 111.2 | L564 N664 S749 V751 | L564-P662 HydrophobicContact CB-CG 4.2Å; L564-P662 HydrophobicContact CD1-CG 4.3Å; P662-N664 WeakPolarHBondContact CB-OD1 3.47Å; P662-S749 WeakPolarHBondContact O-CA 3.32Å; P662-S749 VanDerWaalsContact O-CB 3.25Å; P662-S749 WeakPolarHBondContact O-CB 3.46Å; P662-S749 PolarHBondContact O-OG 2.82Å; P662-V751 HydrophobicContact CG-CG2 3.8Å | ||
| 663 | L | 84.9 | Confident | 85.2 | Confident | 41 Ų | 41 | 34.3 Ų | 34.3 | 22% | 0.215 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 100.7 | 178.6 | -65.8 | -178.2 | 0 | 0 | 0 | 110.3 | F627 F655 Y658 F666 I747 | F627-L663 HydrophobicContact CE1-CD2 3.76Å; F627-L663 HydrophobicContact CZ-CD2 3.77Å; F655-L663 HydrophobicContact CD2-CD1 3.98Å; F655-L663 HydrophobicContact CE2-CD1 3.32Å; F655-L663 HydrophobicContact CZ-CD1 4.09Å; Y658-L663 HydrophobicContact CD1-CD1 4.24Å; Y658-L663 HydrophobicContact CD1-CD2 3.32Å; Y658-L663 HydrophobicContact CD1-CG 3.79Å; Y658-L663 HydrophobicContact CE1-CD2 3.52Å; Y658-L663 HydrophobicContact CE1-CG 4.26Å; Y658-L663 HydrophobicContact CG-CD2 4.21Å; L663-F666 HydrophobicContact CB-CE1 4.41Å; L663-F666 HydrophobicContact CB-CZ 3.89Å; L663-I747 HydrophobicContact CB-CG2 4.49Å; L663-I747 HydrophobicContact CD1-CG2 4.26Å; L663-I747 HydrophobicContact CD2-CG2 3.58Å; L663-I747 HydrophobicContact CG-CG2 4.33Å |
| 664 | N | 84.4 | Confident | 83.9 | Confident | 74 Ų | 74 | 37.3 Ų | 37.3 | 40% | 0.396 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | -2.3 | -164.1 | -62 | -9.5 | 0 | 0 | 0 | 113.6 | P662 N702 Q748 | P662-N664 WeakPolarHBondContact CB-OD1 3.47Å; N664-N702 WeakPolarHBondContact O-CA 3.48Å; N664-N702 WeakPolarHBondContact O-CB 3.49Å; N664-Q748 PolarHBondContact N-O 3.28Å |
| 665 | G | 86.6 | Confident | 82 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 130.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I747 Q748 | G665-I747 CarbonylContact O-C 3.6Å; G665-I747 WeakPolarHBondContact O-CA 3.4Å; G665-Q748 PolarHBondContact N-O 3.06Å; G665-Q748 PolarHBondContact O-N 3.01Å |
| 666 | F | 88.5 | Confident | 79.8 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 120 | -179.4 | -58.1 | -81.2 | 0 | 0 | 0 | 108.7 | F652 F655 L663 Y700 S701 V703 P706 I747 | F652-F666 HydrophobicContact CE1-CB 4.39Å; F652-F666 AromaticContact CE1-CD1 3.79Å; F652-F666 HydrophobicContact CE1-CD1 3.79Å; F652-F666 HydrophobicContact CE2-CB 3.82Å; F652-F666 HydrophobicContact CZ-CB 3.73Å; F652-F666 AromaticContact CZ-CD1 3.83Å; F652-F666 HydrophobicContact CZ-CD1 3.83Å; F652-F666 HydrophobicContact CZ-CG 4.28Å; F655-F666 HydrophobicContact CE1-CD1 4.18Å; F655-F666 AromaticContact CE1-CE1 3.64Å; F655-F666 HydrophobicContact CE1-CE1 3.64Å; F655-F666 HydrophobicContact CE2-CE1 4.42Å; F655-F666 HydrophobicContact CZ-CD1 4.43Å; F655-F666 AromaticContact CZ-CE1 3.46Å; F655-F666 HydrophobicContact CZ-CE1 3.46Å; F655-F666 VanDerWaalsContact CZ-CE1 3.46Å; F655-F666 HydrophobicContact CZ-CZ 4.09Å; L663-F666 HydrophobicContact CB-CE1 4.41Å; L663-F666 HydrophobicContact CB-CZ 3.89Å; F666-Y700 CarbonylContact O-C 3.53Å; F666-Y700 VanDerWaalsContact O-CA 3.3Å; F666-Y700 WeakPolarHBondContact O-CA 3.22Å; F666-S701 PolarHBondContact N-O 3.42Å; F666-S701 PolarHBondContact O-N 3.38Å; F666-V703 VanDerWaalsContact CD2-O 3.25Å; F666-V703 WeakPolarHBondContact CD2-O 3.28Å; F666-V703 WeakPolarHBondContact CE2-O 3.25Å; F666-P706 HydrophobicContact CB-CG 3.94Å; F666-P706 HydrophobicContact CG-CG 4.16Å; F666-I747 HydrophobicContact CD1-CG1 4.11Å; F666-I747 HydrophobicContact CD1-CG2 4.37Å; F666-I747 HydrophobicContact CE1-CG1 4.35Å; F666-I747 HydrophobicContact CE1-CG2 4.07Å |
| 667 | Y | 89.2 | Confident | 77.6 | Confident | 10 Ų | 10 | 49.1 Ų | 49.1 | 4% | 0.039 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 143.5 | -174.2 | -51.1 | -98.7 | 0 | 0 | 0 | 111.1 | F652 L689 I697 Y699 Y700 A745 I746 Q748 | F652-Y667 WeakPolarHBondContact CE2-O 3.42Å; Y667-L689 HydrophobicContact CD1-CD1 3.98Å; Y667-L689 HydrophobicContact CD2-CD2 4.23Å; Y667-L689 HydrophobicContact CE1-CD1 3.84Å; Y667-L689 HydrophobicContact CE2-CD2 4.08Å; Y667-L689 HydrophobicContact CG-CD1 4.43Å; Y667-I697 HydrophobicContact CD1-CD1 4.19Å; Y667-I697 HydrophobicContact CD1-CG2 4.09Å; Y667-Y699 WeakPolarHBondContact CA-O 3.12Å; Y667-Y700 AromaticContact CD1-CD2 3.54Å; Y667-Y700 HydrophobicContact CD1-CD2 3.54Å; Y667-Y700 HydrophobicContact CD1-CE2 4.4Å; Y667-Y700 HydrophobicContact CD1-CG 4.22Å; Y667-Y700 AromaticContact CE1-CD2 3.13Å; Y667-Y700 HydrophobicContact CE1-CD2 3.13Å; Y667-Y700 AromaticContact CE1-CE2 3.61Å; Y667-Y700 HydrophobicContact CE1-CE2 3.61Å; Y667-Y700 AromaticContact CE1-CG 3.98Å; Y667-Y700 HydrophobicContact CE1-CG 3.98Å; Y667-Y700 HydrophobicContact CE2-CD2 4.29Å; Y667-Y700 HydrophobicContact CE2-CE2 4.35Å; Y667-Y700 HydrophobicContact CG-CD2 4.28Å; Y667-Y700 AromaticContact CZ-CD2 3.56Å; Y667-Y700 AromaticContact CZ-CE2 3.56Å; Y667-Y700 WeakPolarHBondContact OH-CE2 3.5Å; Y667-A745 CarbonylContact O-C 3.5Å; Y667-A745 WeakPolarHBondContact O-CA 3.4Å; Y667-I746 HydrophobicContact CD2-CB 4.16Å; Y667-I746 HydrophobicContact CD2-CG2 4.44Å; Y667-I746 PolarHBondContact N-O 2.84Å; Y667-I746 PolarHBondContact O-N 3.49Å; Y667-Q748 HydrophobicContact CE2-CB 3.93Å; Y667-Q748 PolarHBondContact OH-OE1 3.07Å |
| 668 | I | 88.9 | Confident | 75.2 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 132.3 | 161.8 | -58.6 | -166.2 | 0 | 0 | 0 | 108.3 | F652 I697 V698 Y699 I710 I712 V743 | F652-I668 HydrophobicContact CD2-CD1 4.11Å; F652-I668 HydrophobicContact CD2-CG1 3.84Å; F652-I668 HydrophobicContact CE2-CG1 4.08Å; I668-I697 WeakPolarHBondContact O-CA 3.23Å; I668-V698 HydrophobicContact CB-CG2 3.91Å; I668-V698 HydrophobicContact CG2-CG2 3.62Å; I668-V698 WeakPolarHBondContact O-CG2 3.39Å; I668-V698 PolarHBondContact O-N 2.97Å; I668-Y699 HydrophobicContact CG1-CD1 4.33Å; I668-Y699 PolarHBondContact N-O 3.39Å; I668-Y699 PolarHBondContact O-N 3.41Å; I668-I710 HydrophobicContact CD1-CB 4.34Å; I668-I710 HydrophobicContact CD1-CD1 3.34Å; I668-I710 HydrophobicContact CD1-CG1 4.42Å; I668-I710 HydrophobicContact CD1-CG2 4.35Å; I668-I710 HydrophobicContact CG1-CD1 4.11Å; I668-I712 HydrophobicContact CG2-CD1 4.4Å; I668-V743 HydrophobicContact CG2-CG2 3.77Å |
| 669 | V | 89.3 | Confident | 72.6 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 137.2 | -176.7 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | L691 A695 N696 I697 V743 Y744 I746 | V669-L691 HydrophobicContact CG1-CD2 3.97Å; V669-L691 HydrophobicContact CG2-CD2 4.07Å; V669-A695 HydrophobicContact CG1-CB 3.79Å; V669-N696 WeakPolarHBondContact CA-O 3.36Å; V669-I697 HydrophobicContact CG2-CG1 4.27Å; V669-V743 WeakPolarHBondContact O-CA 3.37Å; V669-Y744 HydrophobicContact CB-CD2 4.22Å; V669-Y744 HydrophobicContact CB-CE1 4.25Å; V669-Y744 HydrophobicContact CB-CE2 3.75Å; V669-Y744 HydrophobicContact CG1-CE1 4.13Å; V669-Y744 HydrophobicContact CG1-CE2 4.13Å; V669-Y744 WeakPolarHBondContact CG1-OH 3.33Å; V669-Y744 HydrophobicContact CG2-CE2 4.09Å; V669-Y744 PolarHBondContact N-O 2.62Å; V669-Y744 PolarHBondContact O-N 3.12Å; V669-I746 HydrophobicContact CG2-CD1 3.8Å; V669-I746 HydrophobicContact CG2-CG1 4.12Å |
| 670 | V | 87.5 | Confident | 70.1 | Confident | 8 Ų | 8 | 73.3 Ų | 73.3 | 5% | 0.048 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 120.7 | 177.2 | 179.2 | 0 | 0 | 0 | 0 | 108.9 | A695 N696 V698 I712 L735 Y741 T742 V743 | V670-A695 WeakPolarHBondContact O-CA 3.45Å; V670-N696 PolarHBondContact N-O 3.49Å; V670-N696 PolarHBondContact O-N 3.18Å; V670-V698 HydrophobicContact CB-CG1 3.88Å; V670-V698 HydrophobicContact CG2-CB 4.33Å; V670-V698 HydrophobicContact CG2-CG1 3.63Å; V670-V698 HydrophobicContact CG2-CG2 3.72Å; V670-I712 HydrophobicContact CG2-CD1 3.63Å; V670-I712 HydrophobicContact CG2-CG1 4.25Å; V670-I712 HydrophobicContact CG2-CG2 3.85Å; V670-L735 HydrophobicContact CG1-CD2 4.49Å; V670-Y741 HydrophobicContact CG1-CD1 3.68Å; V670-Y741 HydrophobicContact CG1-CG 4.21Å; V670-T742 CarbonylContact C-O 3.59Å; V670-T742 WeakPolarHBondContact CA-O 3.41Å; V670-V743 HydrophobicContact CG2-CB 4.41Å; V670-V743 HydrophobicContact CG2-CG2 4.11Å |
| 671 | E | 86.9 | Confident | 67.4 | Low | 58 Ų | 58 | 84.7 Ų | 84.7 | 27% | 0.271 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 128.8 | -179.8 | -176.2 | 173.6 | -160.7 | 0 | 0 | 111.3 | S692 N694 A695 Y741 T742 | E671-S692 VanDerWaalsContact CD-OG 3.27Å; E671-S692 VanDerWaalsContact OE1-CB 3.23Å; E671-S692 WeakPolarHBondContact OE1-CB 3.5Å; E671-S692 PolarHBondContact OE1-OG 3.42Å; E671-N694 WeakPolarHBondContact CA-O 3.45Å; E671-N694 HydrophobicContact CG-CB 4.26Å; E671-A695 HydrophobicContact CB-CB 4.07Å; E671-A695 HydrophobicContact CG-CB 4.22Å; E671-Y741 CarbonylContact O-C 3.56Å; E671-Y741 WeakPolarHBondContact O-CA 3.4Å; E671-T742 PolarHBondContact N-O 3.02Å; E671-T742 PolarHBondContact O-N 2.95Å |
| 672 | K | 81.9 | Confident | 64.7 | Low | 59 Ų | 59 | 89.9 Ų | 89.9 | 26% | 0.257 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 126.6 | 176.8 | -171.2 | -179.4 | -177.8 | -178.8 | 0 | 110.5 | S674 N694 E736 Y741 | K672-S674 PolarHBondContact O-N 2.84Å; K672-N694 PolarHBondContact N-O 3.09Å; K672-N694 VanDerWaalsContact N-O 3.1Å; K672-E736 WeakPolarHBondContact CE-OE2 3.13Å; K672-E736 IonicContact NZ-OE1 3.83Å; K672-E736 PolarHBondContact NZ-OE1 3.39Å; K672-E736 IonicContact NZ-OE2 2.74Å; K672-E736 PolarHBondContact NZ-OE2 3.39Å; K672-Y741 HydrophobicContact CB-CD1 4.15Å; K672-Y741 HydrophobicContact CB-CE1 3.92Å; K672-Y741 HydrophobicContact CD-CE1 4.43Å; K672-Y741 HydrophobicContact CG-CD1 4.42Å; K672-Y741 HydrophobicContact CG-CE1 3.95Å |
| 673 | S | 73.5 | Confident | 62.1 | Low | 59 Ų | 59 | 95.1 Ų | 95.1 | 41% | 0.413 | 47% | 0.467 | S | S | . | . | trans | -71 | 114.8 | 179.5 | -170.3 | 0 | 0 | 0 | 0 | 111.2 | T740 | S673-T740 WeakPolarHBondContact CB-O 3.5Å; S673-T740 WeakPolarHBondContact CB-OG1 3.34Å; S673-T740 PolarHBondContact N-O 2.95Å; S673-T740 VanDerWaalsContact N-O 3.15Å | ||
| 674 | S | 57.9 | Low | 59.5 | Low | 70 Ų | 70 | 100.5 Ų | 100.5 | 49% | 0.49 | 50% | 0.495 | S | S | . | . | trans | -94.5 | 108.9 | 178.8 | 56.6 | 0 | 0 | 0 | 0 | 112 | K672 T676 N694 | K672-S674 PolarHBondContact O-N 2.84Å; S674-T676 VanDerWaalsContact C-N 3.25Å; S674-T676 PolarHBondContact O-N 3.17Å; S674-N694 WeakPolarHBondContact CB-ND2 3.37Å; S674-N694 PolarHBondContact OG-ND2 3.48Å | ||
| 675 | N | 44 | Very low | 56.9 | Low | 159 Ų | 159 | 104.5 Ų | 104.5 | 85% | 0.85 | 52% | 0.517 | S | S | * | . | trans | -74.8 | 70.6 | 166 | -97.9 | -5.5 | 0 | 0 | 0 | 110.9 | ||||
| 676 | T | 40 | Very low | 54.3 | Low | 98 Ų | 98 | 113.8 Ų | 113.8 | 60% | 0.601 | 56% | 0.56 | S | S | * | * | trans | -151.9 | 111.9 | 162.5 | 49.1 | 0 | 0 | 0 | 0 | 111.5 | S674 R678 | S674-T676 VanDerWaalsContact C-N 3.25Å; S674-T676 PolarHBondContact O-N 3.17Å; T676-R678 VanDerWaalsContact C-N 3.27Å; T676-R678 PolarHBondContact O-N 2.87Å | ||
| 677 | N | 36.9 | Very low | 52.3 | Low | 180 Ų | 180 | 117.4 Ų | 117.4 | 96% | 0.963 | 58% | 0.583 | S | S | * | * | trans | -58.7 | 87.4 | 157.2 | -78.5 | -31.5 | 0 | 0 | 0 | 109.4 | ||||
| 678 | R | 31.8 | Very low | 50.8 | Low | 222 Ų | 222 | 123.1 Ų | 123.1 | 84% | 0.838 | 61% | 0.61 | S | S | * | * | trans | -128.5 | 119.5 | 168 | -83.5 | -170.8 | 174.4 | -178.2 | -0.1 | 110.3 | T676 | T676-R678 VanDerWaalsContact C-N 3.27Å; T676-R678 PolarHBondContact O-N 2.87Å | ||
| 679 | K | 33.3 | Very low | 49.6 | Very low | 210 Ų | 210 | 123.2 Ų | 123.2 | 91% | 0.913 | 61% | 0.61 | S | S | * | * | trans | -48.7 | 131.6 | -178.3 | -72.7 | 177.5 | 173.7 | 178.8 | 0 | 111.6 | R681 | K679-R681 PolarHBondContact O-N 2.76Š| ||
| 680 | R | 29.7 | Very low | 48.4 | Very low | 253 Ų | 253 | 125.3 Ų | 125.3 | 96% | 0.955 | 63% | 0.631 | S | S | * | * | trans | -52.5 | 115 | 175.7 | -74.9 | 177 | 171.7 | 172.3 | -3.2 | 110.8 | ||||
| 681 | R | 28.1 | Very low | 47.8 | Very low | 242 Ų | 242 | 126.4 Ų | 126.4 | 91% | 0.913 | 64% | 0.637 | S | S | * | * | trans | -94.5 | 117.2 | 155.4 | -105 | -177.8 | 173.3 | 174 | -2.2 | 107.4 | K679 V683 | K679-R681 PolarHBondContact O-N 2.76Å; R681-V683 PolarHBondContact O-N 2.82Å | ||
| 682 | S | 30.1 | Very low | 47 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 81% | 0.811 | 64% | 0.639 | S | S | * | * | trans | -68.7 | 115.7 | 176.9 | 52 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 683 | V | 30.3 | Very low | 46.5 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 82% | 0.824 | 67% | 0.669 | S | S | * | * | trans | -124.8 | 113.7 | 157.9 | -179.5 | 0 | 0 | 0 | 0 | 106.3 | R681 N685 | R681-V683 PolarHBondContact O-N 2.82Å; V683-N685 PolarHBondContact O-N 3.48Å | ||
| 684 | L | 30.9 | Very low | 46.6 | Very low | 155 Ų | 155 | 131.3 Ų | 131.3 | 81% | 0.812 | 67% | 0.667 | S | S | * | * | trans | -54.7 | 120.3 | 171 | -117.9 | 77.8 | 0 | 0 | 0 | 108.7 | ||||
| 685 | N | 29.3 | Very low | 47.7 | Very low | 158 Ų | 158 | 128.5 Ų | 128.5 | 85% | 0.845 | 65% | 0.648 | S | S | * | * | trans | 178.4 | 79.8 | 145.1 | -86.9 | -13.9 | 0 | 0 | 0 | 107.2 | V683 T687 | V683-N685 PolarHBondContact O-N 3.48Å; N685-T687 PolarHBondContact O-N 3.23Å | ||
| 686 | Q | 32.1 | Very low | 49.5 | Very low | 194 Ų | 194 | 124.1 Ų | 124.1 | 91% | 0.907 | 63% | 0.625 | S | S | * | * | trans | -67.9 | 120.4 | 176.8 | -84.6 | 174.5 | -30.1 | 0 | 0 | 110.1 | ||||
| 687 | T | 47.2 | Very low | 51.7 | Low | 79 Ų | 79 | 119.9 Ų | 119.9 | 49% | 0.485 | 60% | 0.598 | S | S | . | * | trans | -66.5 | 144.5 | 161.9 | 49.3 | 0 | 0 | 0 | 0 | 109.4 | N685 L689 G690 | N685-T687 PolarHBondContact O-N 3.23Å; T687-L689 PolarHBondContact O-N 3.01Å; T687-G690 PolarHBondContact O-N 3.33Å | ||
| 688 | Q | 56.6 | Low | 54 | Low | 130 Ų | 130 | 111.6 Ų | 111.6 | 61% | 0.607 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | -20.2 | -173.8 | -74 | 179.6 | -17.5 | 0 | 0 | 114.7 | ||
| 689 | L | 64.2 | Low | 56.6 | Low | 1 Ų | 1 | 102.1 Ų | 102.1 | 1% | 0.005 | 52% | 0.518 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -7.2 | 179.2 | -75.4 | 165.3 | 0 | 0 | 0 | 115.1 | Y667 T687 L691 I697 I728 I746 I757 R759 | Y667-L689 HydrophobicContact CD1-CD1 3.98Å; Y667-L689 HydrophobicContact CD2-CD2 4.23Å; Y667-L689 HydrophobicContact CE1-CD1 3.84Å; Y667-L689 HydrophobicContact CE2-CD2 4.08Å; Y667-L689 HydrophobicContact CG-CD1 4.43Å; T687-L689 PolarHBondContact O-N 3.01Å; L689-L691 HydrophobicContact CB-CD1 4.11Å; L689-L691 HydrophobicContact CB-CD2 4.43Å; L689-L691 HydrophobicContact CB-CG 3.84Å; L689-L691 HydrophobicContact CD1-CD1 4.28Å; L689-L691 PolarHBondContact O-N 2.94Å; L689-I697 HydrophobicContact CD1-CD1 3.49Å; L689-I697 VanDerWaalsContact CD1-CD1 3.49Å; L689-I728 HydrophobicContact CB-CD1 4.44Å; L689-I728 HydrophobicContact CD1-CD1 3.36Å; L689-I728 HydrophobicContact CD1-CG2 4.47Å; L689-I728 HydrophobicContact CG-CD1 3.66Å; L689-I746 HydrophobicContact CD2-CD1 4.18Å; L689-I746 HydrophobicContact CD2-CG2 4.2Å; L689-I757 HydrophobicContact CD2-CD1 4.33Å; L689-I757 HydrophobicContact CD2-CG2 4.22Å; L689-R759 PolarHBondContact O-NH2 2.83Å |
| 690 | G | 63.9 | Low | 58.9 | Low | 44 Ų | 44 | 93.9 Ų | 93.9 | 45% | 0.454 | 48% | 0.482 | S | S | . | . | trans | 60.1 | 41.6 | 180 | 0 | 0 | 0 | 0 | 0 | 113.8 | T687 R759 | T687-G690 PolarHBondContact O-N 3.33Å; G690-R759 PolarHBondContact O-NH2 3.32Å | ||
| 691 | L | 75.6 | Confident | 61.4 | Low | 31 Ų | 31 | 82.5 Ų | 82.5 | 16% | 0.162 | 44% | 0.441 | C | S | . | . | trans | -82.7 | 150.6 | -179.5 | -62.2 | 178.2 | 0 | 0 | 0 | 111.5 | V669 L689 A695 I697 Y744 I746 | V669-L691 HydrophobicContact CG1-CD2 3.97Å; V669-L691 HydrophobicContact CG2-CD2 4.07Å; L689-L691 HydrophobicContact CB-CD1 4.11Å; L689-L691 HydrophobicContact CB-CD2 4.43Å; L689-L691 HydrophobicContact CB-CG 3.84Å; L689-L691 HydrophobicContact CD1-CD1 4.28Å; L689-L691 PolarHBondContact O-N 2.94Å; L691-A695 HydrophobicContact CB-CB 4.22Å; L691-I697 HydrophobicContact CD1-CD1 3.77Å; L691-I697 HydrophobicContact CD1-CG1 3.5Å; L691-I697 VanDerWaalsContact CD1-CG1 3.5Å; L691-Y744 WeakPolarHBondContact CD2-OH 3.47Å; L691-I746 HydrophobicContact CD2-CD1 3.96Å | ||
| 692 | S | 70.9 | Confident | 63.5 | Low | 46 Ų | 46 | 75.3 Ų | 75.3 | 32% | 0.322 | 42% | 0.421 | S | S | . | . | trans | -74.3 | 160.8 | 172.3 | 88.2 | 0 | 0 | 0 | 0 | 110.8 | E671 N694 A695 | E671-S692 VanDerWaalsContact CD-OG 3.27Å; E671-S692 VanDerWaalsContact OE1-CB 3.23Å; E671-S692 WeakPolarHBondContact OE1-CB 3.5Å; E671-S692 PolarHBondContact OE1-OG 3.42Å; S692-N694 PolarHBondContact O-N 3.14Å; S692-N694 VanDerWaalsContact O-N 3.09Å; S692-N694 PolarHBondContact OG-N 2.66Å; S692-A695 WeakPolarHBondContact O-CB 3.34Å; S692-A695 PolarHBondContact O-N 3.15Å; S692-A695 VanDerWaalsContact O-N 3.08Å; S692-A695 PolarHBondContact OG-N 3.25Å | ||
| 693 | N | 71 | Confident | 65 | Low | 165 Ų | 165 | 73.9 Ų | 73.9 | 88% | 0.882 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -15.2 | 176.8 | -69.7 | 1.4 | 0 | 0 | 0 | 113.7 | ||
| 694 | N | 74.8 | Confident | 66.5 | Low | 69 Ų | 69 | 72.5 Ų | 72.5 | 37% | 0.369 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 2.7 | 179.2 | -63.9 | -13.9 | 0 | 0 | 0 | 112.6 | E671 K672 S674 S692 | E671-N694 WeakPolarHBondContact CA-O 3.45Å; E671-N694 HydrophobicContact CG-CB 4.26Å; K672-N694 PolarHBondContact N-O 3.09Å; K672-N694 VanDerWaalsContact N-O 3.1Å; S674-N694 WeakPolarHBondContact CB-ND2 3.37Å; S674-N694 PolarHBondContact OG-ND2 3.48Å; S692-N694 PolarHBondContact O-N 3.14Å; S692-N694 VanDerWaalsContact O-N 3.09Å; S692-N694 PolarHBondContact OG-N 2.66Å |
| 695 | A | 80.6 | Confident | 68 | Low | 11 Ų | 11 | 69.1 Ų | 69.1 | 9% | 0.091 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 121.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V669 V670 E671 L691 S692 | V669-A695 HydrophobicContact CG1-CB 3.79Å; V670-A695 WeakPolarHBondContact O-CA 3.45Å; E671-A695 HydrophobicContact CB-CB 4.07Å; E671-A695 HydrophobicContact CG-CB 4.22Å; L691-A695 HydrophobicContact CB-CB 4.22Å; S692-A695 WeakPolarHBondContact O-CB 3.34Å; S692-A695 PolarHBondContact O-N 3.15Å; S692-A695 VanDerWaalsContact O-N 3.08Å; S692-A695 PolarHBondContact OG-N 3.25Å |
| 696 | N | 83.4 | Confident | 69.9 | Low | 67 Ų | 67 | 62.2 Ų | 62.2 | 36% | 0.358 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 130.7 | 175 | -77.4 | -18.5 | 0 | 0 | 0 | 109.9 | V669 V670 V698 | V669-N696 WeakPolarHBondContact CA-O 3.36Å; V670-N696 PolarHBondContact N-O 3.49Å; V670-N696 PolarHBondContact O-N 3.18Å; N696-V698 PolarHBondContact O-N 3.3Å |
| 697 | I | 85.3 | Confident | 71.7 | Confident | 9 Ų | 9 | 58.3 Ų | 58.3 | 5% | 0.046 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 117 | 165.6 | -53.1 | 177.9 | 0 | 0 | 0 | 106.1 | Y667 I668 V669 L689 L691 Y699 I728 Y730 S731 | Y667-I697 HydrophobicContact CD1-CD1 4.19Å; Y667-I697 HydrophobicContact CD1-CG2 4.09Å; I668-I697 WeakPolarHBondContact O-CA 3.23Å; V669-I697 HydrophobicContact CG2-CG1 4.27Å; L689-I697 HydrophobicContact CD1-CD1 3.49Å; L689-I697 VanDerWaalsContact CD1-CD1 3.49Å; L691-I697 HydrophobicContact CD1-CD1 3.77Å; L691-I697 HydrophobicContact CD1-CG1 3.5Å; L691-I697 VanDerWaalsContact CD1-CG1 3.5Å; I697-Y699 VanDerWaalsContact CG2-O 3.27Å; I697-Y699 WeakPolarHBondContact CG2-O 3.43Å; I697-I728 HydrophobicContact CD1-CB 4.3Å; I697-I728 HydrophobicContact CD1-CG2 3.51Å; I697-Y730 CarbonylContact O-C 3.5Å; I697-Y730 VanDerWaalsContact O-CA 3.27Å; I697-Y730 WeakPolarHBondContact O-CA 2.99Å; I697-Y730 VanDerWaalsContact O-CB 3.24Å; I697-Y730 WeakPolarHBondContact O-CB 3.47Å; I697-S731 PolarHBondContact O-N 3.46Å |
| 698 | V | 85 | Confident | 73.2 | Confident | 6 Ų | 6 | 59.7 Ų | 59.7 | 4% | 0.036 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -16.2 | -179.9 | -64.2 | 0 | 0 | 0 | 0 | 112.1 | I668 V670 N696 I712 N732 | I668-V698 HydrophobicContact CB-CG2 3.91Å; I668-V698 HydrophobicContact CG2-CG2 3.62Å; I668-V698 WeakPolarHBondContact O-CG2 3.39Å; I668-V698 PolarHBondContact O-N 2.97Å; V670-V698 HydrophobicContact CB-CG1 3.88Å; V670-V698 HydrophobicContact CG2-CB 4.33Å; V670-V698 HydrophobicContact CG2-CG1 3.63Å; V670-V698 HydrophobicContact CG2-CG2 3.72Å; N696-V698 PolarHBondContact O-N 3.3Å; V698-I712 HydrophobicContact CG2-CD1 4.41Å; V698-I712 HydrophobicContact CG2-CG1 4.09Å; V698-N732 HydrophobicContact CB-CB 4.31Å |
| 699 | Y | 86.2 | Confident | 74.2 | Confident | 22 Ų | 22 | 58.2 Ų | 58.2 | 9% | 0.086 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 142.8 | 179.5 | 177.9 | -94 | 0 | 0 | 0 | 111.3 | Y667 I668 I697 S701 P706 E708 I710 | Y667-Y699 WeakPolarHBondContact CA-O 3.12Å; I668-Y699 HydrophobicContact CG1-CD1 4.33Å; I668-Y699 PolarHBondContact N-O 3.39Å; I668-Y699 PolarHBondContact O-N 3.41Å; I697-Y699 VanDerWaalsContact CG2-O 3.27Å; I697-Y699 WeakPolarHBondContact CG2-O 3.43Å; Y699-S701 WeakPolarHBondContact OH-CB 3.49Å; Y699-P706 HydrophobicContact CE1-CB 4.15Å; Y699-P706 HydrophobicContact CE1-CG 4.23Å; Y699-P706 WeakPolarHBondContact OH-CB 3.38Å; Y699-E708 WeakPolarHBondContact CE2-OE1 3.12Å; Y699-E708 PolarHBondContact OH-OE1 3.26Å; Y699-I710 HydrophobicContact CD1-CD1 3.49Å; Y699-I710 VanDerWaalsContact CD1-CD1 3.49Å; Y699-I710 HydrophobicContact CD1-CG1 4.34Å; Y699-I710 HydrophobicContact CD2-CD1 3.84Å; Y699-I710 HydrophobicContact CD2-CG1 3.76Å; Y699-I710 HydrophobicContact CD2-CG2 4.12Å; Y699-I710 HydrophobicContact CE1-CD1 3.67Å; Y699-I710 HydrophobicContact CE1-CG1 4.48Å; Y699-I710 HydrophobicContact CE2-CD1 3.99Å; Y699-I710 HydrophobicContact CE2-CG1 3.91Å; Y699-I710 HydrophobicContact CG-CD1 3.57Å; Y699-I710 HydrophobicContact CG-CG1 3.97Å; Y699-I710 HydrophobicContact CG-CG2 4.11Å |
| 700 | Y | 82.8 | Confident | 75 | Confident | 37 Ų | 37 | 58.7 Ų | 58.7 | 15% | 0.145 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 139.2 | 172.5 | 164.2 | -110.1 | 0 | 0 | 0 | 111.1 | F666 Y667 | F666-Y700 CarbonylContact O-C 3.53Å; F666-Y700 VanDerWaalsContact O-CA 3.3Å; F666-Y700 WeakPolarHBondContact O-CA 3.22Å; Y667-Y700 AromaticContact CD1-CD2 3.54Å; Y667-Y700 HydrophobicContact CD1-CD2 3.54Å; Y667-Y700 HydrophobicContact CD1-CE2 4.4Å; Y667-Y700 HydrophobicContact CD1-CG 4.22Å; Y667-Y700 AromaticContact CE1-CD2 3.13Å; Y667-Y700 HydrophobicContact CE1-CD2 3.13Å; Y667-Y700 AromaticContact CE1-CE2 3.61Å; Y667-Y700 HydrophobicContact CE1-CE2 3.61Å; Y667-Y700 AromaticContact CE1-CG 3.98Å; Y667-Y700 HydrophobicContact CE1-CG 3.98Å; Y667-Y700 HydrophobicContact CE2-CD2 4.29Å; Y667-Y700 HydrophobicContact CE2-CE2 4.35Å; Y667-Y700 HydrophobicContact CG-CD2 4.28Å; Y667-Y700 AromaticContact CZ-CD2 3.56Å; Y667-Y700 AromaticContact CZ-CE2 3.56Å; Y667-Y700 WeakPolarHBondContact OH-CE2 3.5Å |
| 701 | S | 80.5 | Confident | 76 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 10% | 0.098 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 146.4 | 170 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | F666 Y699 V703 | F666-S701 PolarHBondContact N-O 3.42Å; F666-S701 PolarHBondContact O-N 3.38Å; Y699-S701 WeakPolarHBondContact OH-CB 3.49Å; S701-V703 PolarHBondContact OG-N 3.43Å |
| 702 | N | 73.9 | Confident | 76.3 | Confident | 91 Ų | 91 | 58.7 Ų | 58.7 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | trans | -108.3 | 11.1 | 171.6 | 68.7 | -27.7 | 0 | 0 | 0 | 112.9 | N664 | N664-N702 WeakPolarHBondContact O-CA 3.48Å; N664-N702 WeakPolarHBondContact O-CB 3.49Å | ||
| 703 | V | 60.9 | Low | 76.8 | Confident | 87 Ų | 87 | 56.5 Ų | 56.5 | 53% | 0.527 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -95.8 | 145 | -176.9 | -173 | 0 | 0 | 0 | 0 | 109.6 | F666 S701 N705 | F666-V703 VanDerWaalsContact CD2-O 3.25Å; F666-V703 WeakPolarHBondContact CD2-O 3.28Å; F666-V703 WeakPolarHBondContact CE2-O 3.25Å; S701-V703 PolarHBondContact OG-N 3.43Å; V703-N705 PolarHBondContact O-N 3.45Å; V703-N705 VanDerWaalsContact O-N 3.13Å |
| 704 | S | 60.8 | Low | 76.9 | Confident | 107 Ų | 107 | 50.6 Ų | 50.6 | 75% | 0.748 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -58.5 | 115.2 | 179.8 | 44.1 | 0 | 0 | 0 | 0 | 112.2 | ||
| 705 | N | 62.1 | Low | 76.5 | Confident | 83 Ų | 83 | 48.9 Ų | 48.9 | 44% | 0.444 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 47.8 | 90 | 178.8 | -160.8 | 9 | 0 | 0 | 0 | 116.3 | F655 V703 S707 | F655-N705 HydrophobicContact CZ-CB 4.4Å; V703-N705 PolarHBondContact O-N 3.45Å; V703-N705 VanDerWaalsContact O-N 3.13Å; N705-S707 PolarHBondContact O-N 3.31Å |
| 706 | P | 69.6 | Low | 75.6 | Confident | 13 Ų | 13 | 53.7 Ų | 53.7 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | trans | -66.2 | 118 | 178.4 | 23.9 | -29.1 | 0 | 0 | 0 | 111.5 | F652 F666 Y699 | F652-P706 HydrophobicContact CB-CG 3.97Å; F652-P706 WeakPolarHBondContact CB-O 3.37Å; F652-P706 HydrophobicContact CD1-CG 4.17Å; F652-P706 HydrophobicContact CD2-CG 3.93Å; F652-P706 HydrophobicContact CG-CG 3.75Å; F666-P706 HydrophobicContact CB-CG 3.94Å; F666-P706 HydrophobicContact CG-CG 4.16Å; Y699-P706 HydrophobicContact CE1-CB 4.15Å; Y699-P706 HydrophobicContact CE1-CG 4.23Å; Y699-P706 WeakPolarHBondContact OH-CB 3.38Å | ||
| 707 | S | 71.1 | Confident | 74.1 | Confident | 112 Ų | 112 | 55.9 Ų | 55.9 | 78% | 0.783 | 32% | 0.323 | S | S | * | . | trans | -101.7 | -3 | -176.2 | 53.8 | 0 | 0 | 0 | 0 | 114.1 | N705 | N705-S707 PolarHBondContact O-N 3.31Š| ||
| 708 | E | 77.4 | Confident | 72.5 | Confident | 108 Ų | 108 | 59.7 Ų | 59.7 | 51% | 0.505 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -74 | 156.8 | -177.6 | 64.6 | -171 | 165.7 | 0 | 0 | 113.3 | Y699 I710 | Y699-E708 WeakPolarHBondContact CE2-OE1 3.12Å; Y699-E708 PolarHBondContact OH-OE1 3.26Å; E708-I710 HydrophobicContact CG-CG1 4.38Å |
| 709 | I | 79.2 | Confident | 70.6 | Confident | 100 Ų | 100 | 66 Ų | 66 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 118.8 | 173.4 | -61.1 | 171.6 | 0 | 0 | 0 | 107.6 | N649 K651 | N649-I709 HydrophobicContact CB-CG2 3.97Å; K651-I709 HydrophobicContact CG-CG1 4.09Å |
| 710 | I | 81.1 | Confident | 68.5 | Low | 10 Ų | 10 | 67.5 Ų | 67.5 | 5% | 0.051 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 125.9 | 179.9 | -61.7 | 159.1 | 0 | 0 | 0 | 107.3 | V650 I668 Y699 E708 | V650-I710 HydrophobicContact CG2-CB 4.4Å; V650-I710 WeakPolarHBondContact CG2-O 3.49Å; V650-I710 PolarHBondContact N-O 2.96Å; V650-I710 PolarHBondContact O-N 3.31Å; I668-I710 HydrophobicContact CD1-CB 4.34Å; I668-I710 HydrophobicContact CD1-CD1 3.34Å; I668-I710 HydrophobicContact CD1-CG1 4.42Å; I668-I710 HydrophobicContact CD1-CG2 4.35Å; I668-I710 HydrophobicContact CG1-CD1 4.11Å; Y699-I710 HydrophobicContact CD1-CD1 3.49Å; Y699-I710 VanDerWaalsContact CD1-CD1 3.49Å; Y699-I710 HydrophobicContact CD1-CG1 4.34Å; Y699-I710 HydrophobicContact CD2-CD1 3.84Å; Y699-I710 HydrophobicContact CD2-CG1 3.76Å; Y699-I710 HydrophobicContact CD2-CG2 4.12Å; Y699-I710 HydrophobicContact CE1-CD1 3.67Å; Y699-I710 HydrophobicContact CE1-CG1 4.48Å; Y699-I710 HydrophobicContact CE2-CD1 3.99Å; Y699-I710 HydrophobicContact CE2-CG1 3.91Å; Y699-I710 HydrophobicContact CG-CD1 3.57Å; Y699-I710 HydrophobicContact CG-CG1 3.97Å; Y699-I710 HydrophobicContact CG-CG2 4.11Å; E708-I710 HydrophobicContact CG-CG1 4.38Å |
| 711 | I | 84 | Confident | 66.5 | Low | 75 Ų | 75 | 69 Ų | 69 | 39% | 0.385 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 108.8 | -178.5 | -55.1 | 177.7 | 0 | 0 | 0 | 108 | L647 N732 | L647-I711 HydrophobicContact CD2-CG2 3.98Å; I711-N732 PolarHBondContact O-ND2 3.23Å |
| 712 | I | 82.3 | Confident | 64.6 | Low | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 135.7 | 173.9 | -60.1 | 173.8 | 0 | 0 | 0 | 109.1 | L647 V648 V650 I668 V670 V698 N732 L735 V743 | L647-I712 WeakPolarHBondContact CA-O 3.41Å; V648-I712 HydrophobicContact CB-CB 4.29Å; V648-I712 PolarHBondContact N-O 3.39Å; V648-I712 WeakPolarHBondContact O-CB 3.31Å; V648-I712 PolarHBondContact O-N 2.74Å; V650-I712 HydrophobicContact CG2-CD1 3.32Å; V650-I712 HydrophobicContact CG2-CG1 3.52Å; I668-I712 HydrophobicContact CG2-CD1 4.4Å; V670-I712 HydrophobicContact CG2-CD1 3.63Å; V670-I712 HydrophobicContact CG2-CG1 4.25Å; V670-I712 HydrophobicContact CG2-CG2 3.85Å; V698-I712 HydrophobicContact CG2-CD1 4.41Å; V698-I712 HydrophobicContact CG2-CG1 4.09Å; I712-N732 WeakPolarHBondContact CA-OD1 3.24Å; I712-L735 HydrophobicContact CG2-CD1 4.06Å; I712-L735 HydrophobicContact CG2-CD2 4Å; I712-L735 HydrophobicContact CG2-CG 4.26Å; I712-V743 HydrophobicContact CD1-CG2 3.78Å |
| 713 | G | 79.9 | Confident | 62.8 | Low | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | 15.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | L647 G715 N732 P733 L734 | L647-G713 VanDerWaalsContact CD2-C 3.41Å; L647-G713 WeakPolarHBondContact CD2-O 3.38Å; G713-G715 VanDerWaalsContact C-N 3.26Å; G713-G715 PolarHBondContact O-N 2.96Å; G713-N732 PolarHBondContact N-OD1 3.42Å; G713-P733 WeakPolarHBondContact CA-O 3.19Å; G713-L734 WeakPolarHBondContact O-CD2 3.43Å |
| 714 | S | 74.1 | Confident | 61.6 | Low | 42 Ų | 42 | 75.4 Ų | 75.4 | 29% | 0.294 | 44% | 0.437 | S | S | . | . | trans | -74.6 | -12.6 | -177.5 | 66.5 | 0 | 0 | 0 | 0 | 114.2 | Q716 N732 | S714-Q716 PolarHBondContact O-N 3.22Å; S714-N732 PolarHBondContact OG-ND2 3.14Å; S714-N732 VanDerWaalsContact OG-ND2 3.16Å | ||
| 715 | G | 66.7 | Low | 60.2 | Low | 33 Ų | 33 | 79 Ų | 79 | 34% | 0.34 | 45% | 0.446 | S | S | . | . | trans | 77.9 | 2.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | G713 V717 N732 | G713-G715 VanDerWaalsContact C-N 3.26Å; G713-G715 PolarHBondContact O-N 2.96Å; G715-V717 PolarHBondContact O-N 2.79Å; G715-N732 CarbonylContact C-O 3.6Å; G715-N732 WeakPolarHBondContact CA-O 3.26Å; G715-N732 PolarHBondContact N-O 3.46Å | ||
| 716 | Q | 60.4 | Low | 59.3 | Low | 111 Ų | 111 | 77.8 Ų | 77.8 | 52% | 0.519 | 45% | 0.453 | S | S | . | . | trans | -75 | 119.8 | -179.4 | -70.4 | -178.4 | -17.6 | 0 | 0 | 111.2 | S714 F718 N732 | S714-Q716 PolarHBondContact O-N 3.22Å; Q716-F718 HydrophobicContact CB-CD2 4.37Å; Q716-F718 HydrophobicContact CB-CE2 3.79Å; Q716-F718 HydrophobicContact CB-CZ 4.4Å; Q716-N732 PolarHBondContact N-O 3.28Å; Q716-N732 WeakPolarHBondContact O-CB 3.11Å; Q716-N732 PolarHBondContact O-N 2.99Å | ||
| 717 | V | 53 | Low | 58.2 | Low | 113 Ų | 113 | 81.3 Ų | 81.3 | 69% | 0.685 | 47% | 0.467 | S | S | * | . | B | Isolated β-bridge | trans | -100.9 | 116.6 | 170.6 | -177.1 | 0 | 0 | 0 | 0 | 107.4 | G715 | G715-V717 PolarHBondContact O-N 2.79Å |
| 718 | F | 51.6 | Low | 57.3 | Low | 89 Ų | 89 | 78.1 Ų | 78.1 | 39% | 0.39 | 44% | 0.44 | S | S | . | . | trans | -92.4 | 108.2 | 177.2 | -73.5 | -89.4 | 0 | 0 | 0 | 108.9 | Q716 Y730 | Q716-F718 HydrophobicContact CB-CD2 4.37Å; Q716-F718 HydrophobicContact CB-CE2 3.79Å; Q716-F718 HydrophobicContact CB-CZ 4.4Å; F718-Y730 HydrophobicContact CB-CD2 4.44Å; F718-Y730 HydrophobicContact CB-CE1 4.15Å; F718-Y730 HydrophobicContact CB-CE2 3.92Å; F718-Y730 HydrophobicContact CD2-CD2 4.02Å; F718-Y730 AromaticContact CD2-CE2 3.22Å; F718-Y730 HydrophobicContact CD2-CE2 3.22Å; F718-Y730 AromaticContact CD2-CZ 3.7Å; F718-Y730 AromaticContact CE2-CE2 3.81Å; F718-Y730 HydrophobicContact CE2-CE2 3.81Å; F718-Y730 HydrophobicContact CG-CE1 4.47Å; F718-Y730 AromaticContact CG-CE2 3.64Å; F718-Y730 HydrophobicContact CG-CE2 3.64Å; F718-Y730 AromaticContact CG-CZ 3.6Å; F718-Y730 WeakPolarHBondContact CG-OH 2.74Å | ||
| 719 | D | 45.7 | Very low | 56.3 | Low | 140 Ų | 140 | 74.7 Ų | 74.7 | 75% | 0.749 | 43% | 0.434 | S | S | * | . | trans | -74.4 | 129.4 | -177.9 | -161.6 | 4 | 0 | 0 | 0 | 111.1 | S721 | D719-S721 VanDerWaalsContact C-N 3.3Å; D719-S721 PolarHBondContact O-N 3.11Å | ||
| 720 | V | 41.8 | Very low | 56 | Low | 53 Ų | 53 | 72.6 Ų | 72.6 | 32% | 0.321 | 42% | 0.42 | S | S | . | . | trans | -91.4 | 9.8 | -162.1 | -167.7 | 0 | 0 | 0 | 0 | 112.1 | N722 L723 | V720-N722 PolarHBondContact O-N 2.96Å; V720-L723 HydrophobicContact CG1-CB 4.44Å; V720-L723 HydrophobicContact CG1-CD1 4.4Å; V720-L723 PolarHBondContact O-N 3.4Å | ||
| 721 | S | 41.2 | Very low | 55.6 | Low | 68 Ų | 68 | 73.8 Ų | 73.8 | 48% | 0.476 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -8.6 | -169 | 49.1 | 0 | 0 | 0 | 0 | 115.7 | D719 | D719-S721 VanDerWaalsContact C-N 3.3Å; D719-S721 PolarHBondContact O-N 3.11Å |
| 722 | N | 40.3 | Very low | 55.5 | Low | 139 Ų | 139 | 70.6 Ų | 70.6 | 74% | 0.743 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | 11.7 | -179.2 | -80.6 | -22.4 | 0 | 0 | 0 | 116 | V720 | V720-N722 PolarHBondContact O-N 2.96Š|
| 723 | L | 36.7 | Very low | 55.3 | Low | 92 Ų | 92 | 73.2 Ų | 73.2 | 48% | 0.482 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -109.4 | 123.1 | -177.7 | -78.8 | 134.7 | 0 | 0 | 0 | 112.5 | V720 K727 | V720-L723 HydrophobicContact CG1-CB 4.44Å; V720-L723 HydrophobicContact CG1-CD1 4.4Å; V720-L723 PolarHBondContact O-N 3.4Å; L723-K727 HydrophobicContact CB-CB 4.23Å; L723-K727 HydrophobicContact CD2-CB 4.23Å; L723-K727 HydrophobicContact CD2-CD 3.46Å; L723-K727 VanDerWaalsContact CD2-CD 3.46Å; L723-K727 HydrophobicContact CD2-CG 4.46Å |
| 724 | S | 34 | Very low | 55.2 | Low | 95 Ų | 95 | 79 Ų | 79 | 66% | 0.664 | 46% | 0.46 | S | S | * | . | trans | -50.4 | 143.2 | 174.2 | 43 | 0 | 0 | 0 | 0 | 112.3 | G726 | S724-G726 PolarHBondContact O-N 3.04Š| ||
| 725 | I | 32.3 | Very low | 55.6 | Low | 184 Ų | 184 | 77.4 Ų | 77.4 | 94% | 0.944 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -24.8 | 109.1 | -179.3 | -58 | 166.3 | 0 | 0 | 0 | 112.2 | ||
| 726 | G | 43.9 | Very low | 56.2 | Low | 56 Ų | 56 | 79.4 Ų | 79.4 | 58% | 0.577 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 122.7 | -12.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | S724 | S724-G726 PolarHBondContact O-N 3.04Š|
| 727 | K | 44.9 | Very low | 57 | Low | 88 Ų | 88 | 77.1 Ų | 77.1 | 38% | 0.383 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -88.1 | 125.8 | -177.6 | -74 | -179.3 | 176.9 | 177.8 | 0 | 112.8 | L723 | L723-K727 HydrophobicContact CB-CB 4.23Å; L723-K727 HydrophobicContact CD2-CB 4.23Å; L723-K727 HydrophobicContact CD2-CD 3.46Å; L723-K727 VanDerWaalsContact CD2-CD 3.46Å; L723-K727 HydrophobicContact CD2-CG 4.46Å |
| 728 | I | 52.2 | Low | 58.2 | Low | 45 Ų | 45 | 77.1 Ų | 77.1 | 23% | 0.231 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 126.3 | -169 | -55.9 | 169.1 | 0 | 0 | 0 | 109.7 | L689 I697 | L689-I728 HydrophobicContact CB-CD1 4.44Å; L689-I728 HydrophobicContact CD1-CD1 3.36Å; L689-I728 HydrophobicContact CD1-CG2 4.47Å; L689-I728 HydrophobicContact CG-CD1 3.66Å; I697-I728 HydrophobicContact CD1-CB 4.3Å; I697-I728 HydrophobicContact CD1-CG2 3.51Å |
| 729 | G | 57.5 | Low | 59.5 | Low | 35 Ų | 35 | 78.2 Ų | 78.2 | 36% | 0.361 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 148.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 730 | Y | 71.6 | Confident | 61.2 | Low | 56 Ų | 56 | 74.1 Ų | 74.1 | 22% | 0.22 | 42% | 0.421 | C | S | . | . | trans | -128 | 141.7 | 174.9 | 71.2 | -87.3 | 0 | 0 | 0 | 110.6 | I697 F718 | I697-Y730 CarbonylContact O-C 3.5Å; I697-Y730 VanDerWaalsContact O-CA 3.27Å; I697-Y730 WeakPolarHBondContact O-CA 2.99Å; I697-Y730 VanDerWaalsContact O-CB 3.24Å; I697-Y730 WeakPolarHBondContact O-CB 3.47Å; F718-Y730 HydrophobicContact CB-CD2 4.44Å; F718-Y730 HydrophobicContact CB-CE1 4.15Å; F718-Y730 HydrophobicContact CB-CE2 3.92Å; F718-Y730 HydrophobicContact CD2-CD2 4.02Å; F718-Y730 AromaticContact CD2-CE2 3.22Å; F718-Y730 HydrophobicContact CD2-CE2 3.22Å; F718-Y730 AromaticContact CD2-CZ 3.7Å; F718-Y730 AromaticContact CE2-CE2 3.81Å; F718-Y730 HydrophobicContact CE2-CE2 3.81Å; F718-Y730 HydrophobicContact CG-CE1 4.47Å; F718-Y730 AromaticContact CG-CE2 3.64Å; F718-Y730 HydrophobicContact CG-CE2 3.64Å; F718-Y730 AromaticContact CG-CZ 3.6Å; F718-Y730 WeakPolarHBondContact CG-OH 2.74Å | ||
| 731 | S | 73 | Confident | 63.4 | Low | 36 Ų | 36 | 72.4 Ų | 72.4 | 25% | 0.252 | 41% | 0.409 | S | S | . | . | B | Isolated β-bridge | trans | -135 | 131.6 | -178.3 | 70.6 | 0 | 0 | 0 | 0 | 108.6 | I697 P733 | I697-S731 PolarHBondContact O-N 3.46Å; S731-P733 WeakPolarHBondContact O-CD 3.19Å |
| 732 | N | 82.2 | Confident | 65.5 | Low | 8 Ų | 8 | 70.4 Ų | 70.4 | 4% | 0.043 | 39% | 0.394 | C | S | . | . | trans | -111.4 | 70.4 | -180 | -169.6 | 2.6 | 0 | 0 | 0 | 110.6 | V698 I711 I712 G713 S714 G715 Q716 | V698-N732 HydrophobicContact CB-CB 4.31Å; I711-N732 PolarHBondContact O-ND2 3.23Å; I712-N732 WeakPolarHBondContact CA-OD1 3.24Å; G713-N732 PolarHBondContact N-OD1 3.42Å; S714-N732 PolarHBondContact OG-ND2 3.14Å; S714-N732 VanDerWaalsContact OG-ND2 3.16Å; G715-N732 CarbonylContact C-O 3.6Å; G715-N732 WeakPolarHBondContact CA-O 3.26Å; G715-N732 PolarHBondContact N-O 3.46Å; Q716-N732 PolarHBondContact N-O 3.28Å; Q716-N732 WeakPolarHBondContact O-CB 3.11Å; Q716-N732 PolarHBondContact O-N 2.99Å | ||
| 733 | P | 78.7 | Confident | 67.9 | Low | 54 Ų | 54 | 63.8 Ų | 63.8 | 35% | 0.351 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 154.1 | -176.3 | 29.4 | -36.5 | 0 | 0 | 0 | 111.4 | G713 S731 L735 | G713-P733 WeakPolarHBondContact CA-O 3.19Å; S731-P733 WeakPolarHBondContact O-CD 3.19Å; P733-L735 PolarHBondContact O-N 3.44Å |
| 734 | L | 78 | Confident | 70.5 | Confident | 122 Ų | 122 | 60 Ų | 60 | 64% | 0.639 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 137.9 | 170.4 | -64.1 | 174.3 | 0 | 0 | 0 | 110.1 | G713 | G713-L734 WeakPolarHBondContact O-CD2 3.43Š|
| 735 | L | 82 | Confident | 73.2 | Confident | 8 Ų | 8 | 55.5 Ų | 55.5 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 143.9 | 174.4 | -59.6 | 176.5 | 0 | 0 | 0 | 110 | L646 V648 V670 I712 P733 Y741 F765 T767 | L646-L735 WeakPolarHBondContact CD2-O 2.94Å; L646-L735 WeakPolarHBondContact O-CB 3.4Å; L646-L735 WeakPolarHBondContact O-CD1 3.3Å; V648-L735 HydrophobicContact CG2-CD1 3.93Å; V670-L735 HydrophobicContact CG1-CD2 4.49Å; I712-L735 HydrophobicContact CG2-CD1 4.06Å; I712-L735 HydrophobicContact CG2-CD2 4Å; I712-L735 HydrophobicContact CG2-CG 4.26Å; P733-L735 PolarHBondContact O-N 3.44Å; L735-Y741 HydrophobicContact CB-CE2 4.08Å; L735-Y741 HydrophobicContact CD2-CD1 4.07Å; L735-Y741 HydrophobicContact CD2-CD2 4.06Å; L735-Y741 HydrophobicContact CD2-CE1 3.85Å; L735-Y741 HydrophobicContact CD2-CE2 3.86Å; L735-Y741 HydrophobicContact CD2-CG 4.15Å; L735-F765 HydrophobicContact CD1-CE2 3.87Å; L735-F765 HydrophobicContact CD1-CZ 4.1Å; L735-T767 HydrophobicContact CB-CG2 3.91Å; L735-T767 HydrophobicContact CD1-CG2 4.06Å |
| 736 | E | 79 | Confident | 76 | Confident | 76 Ų | 76 | 46.7 Ų | 46.7 | 36% | 0.355 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 141.9 | 174.8 | -77.4 | 170.7 | -150.1 | 0 | 0 | 110.3 | K672 R739 Y741 T767 | K672-E736 WeakPolarHBondContact CE-OE2 3.13Å; K672-E736 IonicContact NZ-OE1 3.83Å; K672-E736 PolarHBondContact NZ-OE1 3.39Å; K672-E736 IonicContact NZ-OE2 2.74Å; K672-E736 PolarHBondContact NZ-OE2 3.39Å; E736-R739 HydrophobicContact CB-CB 4.13Å; E736-R739 HydrophobicContact CB-CG 3.56Å; E736-R739 IonicContact OE2-CZ 3.82Å; E736-R739 IonicContact OE2-NE 3Å; E736-R739 PolarHBondContact OE2-NE 2.95Å; E736-R739 IonicContact OE2-NH2 3.84Å; E736-Y741 PolarHBondContact N-OH 3.26Å; E736-T767 WeakPolarHBondContact O-CB 3.33Å; E736-T767 PolarHBondContact O-OG1 2.83Å |
| 737 | P | 78.5 | Confident | 78.1 | Confident | 63 Ų | 63 | 44 Ų | 44 | 41% | 0.409 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 147.5 | 175.6 | 24.6 | -30.9 | 0 | 0 | 0 | 111.9 | L646 R739 G768 | L646-P737 VanDerWaalsContact CD2-CA 3.49Å; L646-P737 HydrophobicContact CD2-CB 3.83Å; L646-P737 HydrophobicContact CD2-CG 4.41Å; P737-R739 VanDerWaalsContact C-N 3.26Å; P737-R739 PolarHBondContact O-N 3.24Å; P737-G768 WeakPolarHBondContact CB-O 3.34Å |
| 738 | N | 77.5 | Confident | 80.2 | Confident | 112 Ų | 112 | 40.3 Ų | 40.3 | 60% | 0.599 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 37.6 | 179.3 | -154.5 | 22.3 | 0 | 0 | 0 | 114.5 | T767 | N738-T767 VanDerWaalsContact CA-O 3.24Å; N738-T767 WeakPolarHBondContact CA-O 3.03Å; N738-T767 PolarHBondContact N-O 3.36Å; N738-T767 VanDerWaalsContact N-O 3.12Å; N738-T767 PolarHBondContact N-OG1 3.02Å |
| 739 | R | 79.8 | Confident | 82 | Confident | 112 Ų | 112 | 38.1 Ų | 38.1 | 42% | 0.423 | 21% | 0.207 | S | C | . | . | trans | -120.1 | 144.6 | 178.4 | -76.1 | -67.9 | -159.2 | -172 | -7.7 | 111.1 | E736 P737 Y741 L766 T767 | E736-R739 HydrophobicContact CB-CB 4.13Å; E736-R739 HydrophobicContact CB-CG 3.56Å; E736-R739 IonicContact OE2-CZ 3.82Å; E736-R739 IonicContact OE2-NE 3Å; E736-R739 PolarHBondContact OE2-NE 2.95Å; E736-R739 IonicContact OE2-NH2 3.84Å; P737-R739 VanDerWaalsContact C-N 3.26Å; P737-R739 PolarHBondContact O-N 3.24Å; R739-Y741 HydrophobicContact CB-CD2 4.29Å; R739-Y741 HydrophobicContact CB-CE2 3.65Å; R739-L766 WeakPolarHBondContact O-CA 3.46Å; R739-T767 PolarHBondContact N-OG1 2.83Å; R739-T767 PolarHBondContact O-N 2.63Å; R739-T767 PolarHBondContact O-OG1 3.1Å | ||
| 740 | T | 81.4 | Confident | 83.3 | Confident | 55 Ų | 55 | 40.1 Ų | 40.1 | 34% | 0.337 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 127.4 | 175.7 | 44.8 | 0 | 0 | 0 | 0 | 111 | S673 F765 L766 | S673-T740 WeakPolarHBondContact CB-O 3.5Å; S673-T740 WeakPolarHBondContact CB-OG1 3.34Å; S673-T740 PolarHBondContact N-O 2.95Å; S673-T740 VanDerWaalsContact N-O 3.15Å; T740-F765 WeakPolarHBondContact CA-O 3.2Å; T740-L766 HydrophobicContact CG2-CB 4.3Å; T740-L766 HydrophobicContact CG2-CD1 3.57Å |
| 741 | Y | 86.4 | Confident | 84 | Confident | 16 Ų | 16 | 37.7 Ų | 37.7 | 6% | 0.063 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 148.3 | 176.7 | -69.5 | -87.9 | 0 | 0 | 0 | 110 | V670 E671 K672 L735 E736 R739 V764 F765 T767 | V670-Y741 HydrophobicContact CG1-CD1 3.68Å; V670-Y741 HydrophobicContact CG1-CG 4.21Å; E671-Y741 CarbonylContact O-C 3.56Å; E671-Y741 WeakPolarHBondContact O-CA 3.4Å; K672-Y741 HydrophobicContact CB-CD1 4.15Å; K672-Y741 HydrophobicContact CB-CE1 3.92Å; K672-Y741 HydrophobicContact CD-CE1 4.43Å; K672-Y741 HydrophobicContact CG-CD1 4.42Å; K672-Y741 HydrophobicContact CG-CE1 3.95Å; L735-Y741 HydrophobicContact CB-CE2 4.08Å; L735-Y741 HydrophobicContact CD2-CD1 4.07Å; L735-Y741 HydrophobicContact CD2-CD2 4.06Å; L735-Y741 HydrophobicContact CD2-CE1 3.85Å; L735-Y741 HydrophobicContact CD2-CE2 3.86Å; L735-Y741 HydrophobicContact CD2-CG 4.15Å; E736-Y741 PolarHBondContact N-OH 3.26Å; R739-Y741 HydrophobicContact CB-CD2 4.29Å; R739-Y741 HydrophobicContact CB-CE2 3.65Å; Y741-V764 CarbonylContact O-C 3.56Å; Y741-V764 WeakPolarHBondContact O-CA 3.28Å; Y741-F765 HydrophobicContact CD2-CE2 4.24Å; Y741-F765 HydrophobicContact CG-CE2 4.39Å; Y741-F765 HydrophobicContact CG-CZ 4.26Å; Y741-F765 PolarHBondContact N-O 3.05Å; Y741-F765 PolarHBondContact O-N 2.9Å; Y741-T767 HydrophobicContact CD2-CG2 4.03Å; Y741-T767 HydrophobicContact CE2-CG2 4.02Å |
| 742 | T | 86.9 | Confident | 84.5 | Confident | 26 Ų | 26 | 40.5 Ų | 40.5 | 16% | 0.16 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 125.8 | 173.6 | -53.6 | 0 | 0 | 0 | 0 | 108.3 | V670 E671 V763 V764 | V670-T742 CarbonylContact C-O 3.59Å; V670-T742 WeakPolarHBondContact CA-O 3.41Å; E671-T742 PolarHBondContact N-O 3.02Å; E671-T742 PolarHBondContact O-N 2.95Å; T742-V763 CarbonylContact C-O 3.57Å; T742-V763 WeakPolarHBondContact CA-O 3.43Å; T742-V764 HydrophobicContact CG2-CG2 4.21Å |
| 743 | V | 89.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 138.7 | 176.8 | 62.7 | 0 | 0 | 0 | 0 | 111.1 | V638 I668 V669 V670 I712 V763 F765 | V638-V743 HydrophobicContact CB-CG1 4.4Å; V638-V743 HydrophobicContact CG1-CG1 4.11Å; V638-V743 HydrophobicContact CG1-CG2 3.98Å; I668-V743 HydrophobicContact CG2-CG2 3.77Å; V669-V743 WeakPolarHBondContact O-CA 3.37Å; V670-V743 HydrophobicContact CG2-CB 4.41Å; V670-V743 HydrophobicContact CG2-CG2 4.11Å; I712-V743 HydrophobicContact CD1-CG2 3.78Å; V743-V763 HydrophobicContact CG1-CB 4.22Å; V743-V763 PolarHBondContact N-O 2.55Å; V743-V763 PolarHBondContact O-N 3Å; V743-F765 HydrophobicContact CB-CE1 3.97Å; V743-F765 HydrophobicContact CG1-CD1 3.96Å; V743-F765 HydrophobicContact CG1-CE1 3.87Å |
| 744 | Y | 91.2 | Very high | 84.4 | Confident | 13 Ų | 13 | 41.2 Ų | 41.2 | 5% | 0.051 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 158.8 | 172.5 | 57 | -87.5 | 0 | 0 | 0 | 110.5 | V669 L691 I746 R759 | V669-Y744 HydrophobicContact CB-CD2 4.22Å; V669-Y744 HydrophobicContact CB-CE1 4.25Å; V669-Y744 HydrophobicContact CB-CE2 3.75Å; V669-Y744 HydrophobicContact CG1-CE1 4.13Å; V669-Y744 HydrophobicContact CG1-CE2 4.13Å; V669-Y744 WeakPolarHBondContact CG1-OH 3.33Å; V669-Y744 HydrophobicContact CG2-CE2 4.09Å; V669-Y744 PolarHBondContact N-O 2.62Å; V669-Y744 PolarHBondContact O-N 3.12Å; L691-Y744 WeakPolarHBondContact CD2-OH 3.47Å; Y744-I746 HydrophobicContact CD2-CG1 4.12Å; Y744-I746 HydrophobicContact CE2-CD1 4.01Å; Y744-I746 HydrophobicContact CE2-CG1 4.02Å; Y744-R759 HydrophobicContact CD2-CB 4.38Å; Y744-R759 HydrophobicContact CD2-CG 4.46Å; Y744-R759 HydrophobicContact CE2-CG 4.48Å |
| 745 | A | 90.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 153.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | F635 V638 F652 P653 Y667 R759 S760 | F635-A745 HydrophobicContact CE2-CB 4.39Å; F635-A745 HydrophobicContact CZ-CB 3.74Å; V638-A745 HydrophobicContact CG2-CB 3.87Å; F652-A745 HydrophobicContact CE2-CB 3.97Å; F652-A745 HydrophobicContact CZ-CB 3.97Å; P653-A745 HydrophobicContact CG-CB 3.4Å; P653-A745 VanDerWaalsContact CG-CB 3.4Å; Y667-A745 CarbonylContact O-C 3.5Å; Y667-A745 WeakPolarHBondContact O-CA 3.4Å; A745-R759 CarbonylContact O-C 3.57Å; A745-R759 WeakPolarHBondContact O-CA 3.46Å; A745-S760 PolarHBondContact N-OG 3.26Å; A745-S760 PolarHBondContact O-N 2.81Å |
| 746 | I | 90.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 135.3 | 173.5 | -46.5 | -177 | 0 | 0 | 0 | 108.6 | Y667 V669 L689 L691 Y744 I757 V758 R759 | Y667-I746 HydrophobicContact CD2-CB 4.16Å; Y667-I746 HydrophobicContact CD2-CG2 4.44Å; Y667-I746 PolarHBondContact N-O 2.84Å; Y667-I746 PolarHBondContact O-N 3.49Å; V669-I746 HydrophobicContact CG2-CD1 3.8Å; V669-I746 HydrophobicContact CG2-CG1 4.12Å; L689-I746 HydrophobicContact CD2-CD1 4.18Å; L689-I746 HydrophobicContact CD2-CG2 4.2Å; L691-I746 HydrophobicContact CD2-CD1 3.96Å; Y744-I746 HydrophobicContact CD2-CG1 4.12Å; Y744-I746 HydrophobicContact CE2-CD1 4.01Å; Y744-I746 HydrophobicContact CE2-CG1 4.02Å; I746-I757 HydrophobicContact CG2-CB 3.91Å; I746-I757 HydrophobicContact CG2-CG2 4.32Å; I746-V758 VanDerWaalsContact CA-O 3.31Å; I746-V758 WeakPolarHBondContact CA-O 3.46Å; I746-V758 WeakPolarHBondContact CG2-O 3.07Å; I746-R759 HydrophobicContact CG1-CG 4.19Å |
| 747 | I | 89.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 136.1 | 168.1 | -60.7 | 166.3 | 0 | 0 | 0 | 107.8 | F627 F635 F652 F655 L663 G665 F666 I757 V758 | F627-I747 HydrophobicContact CE1-CG2 4.23Å; F627-I747 HydrophobicContact CZ-CG2 4.07Å; F635-I747 HydrophobicContact CD1-CD1 4.28Å; F635-I747 HydrophobicContact CD2-CD1 3.92Å; F635-I747 HydrophobicContact CE1-CD1 3.87Å; F635-I747 HydrophobicContact CE1-CG1 3.98Å; F635-I747 HydrophobicContact CE2-CD1 3.44Å; F635-I747 VanDerWaalsContact CE2-CD1 3.44Å; F635-I747 HydrophobicContact CE2-CG1 4.03Å; F635-I747 HydrophobicContact CG-CD1 4.31Å; F635-I747 HydrophobicContact CZ-CD1 3.44Å; F635-I747 VanDerWaalsContact CZ-CD1 3.44Å; F635-I747 HydrophobicContact CZ-CG1 3.55Å; F652-I747 HydrophobicContact CE1-CD1 4.37Å; F652-I747 HydrophobicContact CE1-CG1 4.01Å; F652-I747 HydrophobicContact CZ-CG1 4.05Å; F655-I747 HydrophobicContact CB-CD1 3.61Å; F655-I747 HydrophobicContact CD1-CD1 3.35Å; F655-I747 HydrophobicContact CD1-CG1 4.38Å; F655-I747 HydrophobicContact CD2-CD1 3.91Å; F655-I747 HydrophobicContact CE1-CD1 3.97Å; F655-I747 HydrophobicContact CE2-CD1 4.47Å; F655-I747 HydrophobicContact CG-CD1 3.32Å; F655-I747 HydrophobicContact CZ-CD1 4.49Å; L663-I747 HydrophobicContact CB-CG2 4.49Å; L663-I747 HydrophobicContact CD1-CG2 4.26Å; L663-I747 HydrophobicContact CD2-CG2 3.58Å; L663-I747 HydrophobicContact CG-CG2 4.33Å; G665-I747 CarbonylContact O-C 3.6Å; G665-I747 WeakPolarHBondContact O-CA 3.4Å; F666-I747 HydrophobicContact CD1-CG1 4.11Å; F666-I747 HydrophobicContact CD1-CG2 4.37Å; F666-I747 HydrophobicContact CE1-CG1 4.35Å; F666-I747 HydrophobicContact CE1-CG2 4.07Å; I747-I757 CarbonylContact O-C 3.51Å; I747-I757 VanDerWaalsContact O-CA 3.29Å; I747-I757 WeakPolarHBondContact O-CA 3.29Å; I747-V758 HydrophobicContact CB-CG1 4.09Å; I747-V758 PolarHBondContact N-O 2.75Å; I747-V758 PolarHBondContact O-N 2.98Å |
| 748 | Q | 89 | Confident | 85.7 | Confident | 9 Ų | 9 | 37.6 Ų | 37.6 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 136.5 | 179.8 | -176.7 | -179 | 24.3 | 0 | 0 | 111 | N664 G665 Y667 S755 E756 I757 | N664-Q748 PolarHBondContact N-O 3.28Å; G665-Q748 PolarHBondContact N-O 3.06Å; G665-Q748 PolarHBondContact O-N 3.01Å; Y667-Q748 HydrophobicContact CE2-CB 3.93Å; Y667-Q748 PolarHBondContact OH-OE1 3.07Å; Q748-S755 VanDerWaalsContact NE2-CB 3.32Å; Q748-S755 PolarHBondContact NE2-OG 3.43Å; Q748-E756 CarbonylContact C-O 3.59Å; Q748-E756 VanDerWaalsContact CA-O 3.31Å; Q748-E756 WeakPolarHBondContact CA-O 3.43Å; Q748-I757 HydrophobicContact CB-CG2 3.83Å; Q748-I757 HydrophobicContact CG-CG2 3.73Å |
| 749 | S | 89 | Confident | 86.3 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 123.4 | 167.2 | -171 | 0 | 0 | 0 | 0 | 108.4 | P624 Y658 P662 S755 E756 | P624-S749 WeakPolarHBondContact CB-OG 3.25Å; Y658-S749 VanDerWaalsContact OH-CB 3.26Å; Y658-S749 WeakPolarHBondContact OH-CB 3.29Å; Y658-S749 PolarHBondContact OH-OG 3.01Å; Y658-S749 VanDerWaalsContact OH-OG 3.11Å; P662-S749 WeakPolarHBondContact O-CA 3.32Å; P662-S749 VanDerWaalsContact O-CB 3.25Å; P662-S749 WeakPolarHBondContact O-CB 3.46Å; P662-S749 PolarHBondContact O-OG 2.82Å; S749-S755 CarbonylContact O-C 3.02Å; S749-S755 WeakPolarHBondContact O-CA 3.22Å; S749-E756 PolarHBondContact N-O 3.2Å; S749-E756 PolarHBondContact O-N 2.92Å |
| 750 | E | 85.5 | Confident | 86.8 | Confident | 77 Ų | 77 | 32.8 Ų | 32.8 | 36% | 0.36 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 130 | -176.8 | -176.1 | 179 | 177.8 | 0 | 0 | 111.1 | S754 | E750-S754 WeakPolarHBondContact CA-O 3.47Å |
| 751 | V | 85.1 | Confident | 86.9 | Confident | 5 Ų | 5 | 33.4 Ų | 33.4 | 3% | 0.03 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 121.5 | 175.7 | 176.3 | 0 | 0 | 0 | 0 | 109 | L564 W621 P624 P662 G753 S754 | L564-V751 HydrophobicContact CD1-CG1 4.28Å; L564-V751 HydrophobicContact CD1-CG2 4.06Å; W621-V751 HydrophobicContact CB-CG1 4.28Å; W621-V751 HydrophobicContact CD2-CG1 3.96Å; W621-V751 HydrophobicContact CE3-CG1 3.61Å; W621-V751 HydrophobicContact CG-CG1 4.28Å; W621-V751 HydrophobicContact CZ3-CG1 4.26Å; P624-V751 HydrophobicContact CG-CB 4.04Å; P624-V751 HydrophobicContact CG-CG2 3.93Å; P662-V751 HydrophobicContact CG-CG2 3.8Å; V751-G753 PolarHBondContact O-N 3.18Å; V751-G753 VanDerWaalsContact O-N 3.16Å; V751-S754 PolarHBondContact N-O 3.27Å; V751-S754 PolarHBondContact O-N 3.33Å; V751-S754 PolarHBondContact O-OG 3.44Å |
| 752 | D | 85.2 | Confident | 86.8 | Confident | 95 Ų | 95 | 36.3 Ų | 36.3 | 51% | 0.508 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 37.5 | 176.1 | -162.7 | 34.4 | 0 | 0 | 0 | 114.2 | R536 W621 S754 | R536-D752 IonicContact CZ-OD2 2.75Å; R536-D752 IonicContact NH1-OD2 2.69Å; R536-D752 PolarHBondContact NH1-OD2 3.48Å; R536-D752 PolarHBondContact NH2-O 3Å; R536-D752 IonicContact NH2-OD2 2.83Å; W621-D752 HydrophobicContact CB-CB 4Å; W621-D752 HydrophobicContact CG-CB 3.96Å; D752-S754 VanDerWaalsContact C-N 3.33Å; D752-S754 PolarHBondContact O-N 3.24Å |
| 753 | G | 77.8 | Confident | 86.7 | Confident | 56 Ų | 56 | 36.8 Ų | 36.8 | 58% | 0.577 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | -2.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | V751 | V751-G753 PolarHBondContact O-N 3.18Å; V751-G753 VanDerWaalsContact O-N 3.16Å |
| 754 | S | 79.3 | Confident | 86.4 | Confident | 21 Ų | 21 | 41.4 Ų | 41.4 | 15% | 0.147 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 125.9 | 166.2 | 59 | 0 | 0 | 0 | 0 | 109.9 | S623 E750 V751 D752 | S623-S754 WeakPolarHBondContact CA-OG 3.49Å; S623-S754 WeakPolarHBondContact CB-OG 3.18Å; S623-S754 VanDerWaalsContact OG-CB 3.28Å; S623-S754 WeakPolarHBondContact OG-CB 3.4Å; S623-S754 PolarHBondContact OG-OG 3.29Å; E750-S754 WeakPolarHBondContact CA-O 3.47Å; V751-S754 PolarHBondContact N-O 3.27Å; V751-S754 PolarHBondContact O-N 3.33Å; V751-S754 PolarHBondContact O-OG 3.44Å; D752-S754 VanDerWaalsContact C-N 3.33Å; D752-S754 PolarHBondContact O-N 3.24Å |
| 755 | S | 82.2 | Confident | 85.9 | Confident | 43 Ų | 43 | 41.3 Ų | 41.3 | 30% | 0.301 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 142.9 | -178 | 68.8 | 0 | 0 | 0 | 0 | 112.8 | Q748 S749 | Q748-S755 VanDerWaalsContact NE2-CB 3.32Å; Q748-S755 PolarHBondContact NE2-OG 3.43Å; S749-S755 CarbonylContact O-C 3.02Å; S749-S755 WeakPolarHBondContact O-CA 3.22Å |
| 756 | E | 85.4 | Confident | 85.3 | Confident | 70 Ų | 70 | 45.7 Ų | 45.7 | 33% | 0.327 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 141.4 | 172.3 | -80.5 | -65.2 | 162.9 | 0 | 0 | 108.7 | P624 F627 Q748 S749 | P624-E756 HydrophobicContact CB-CB 4.41Å; P624-E756 HydrophobicContact CB-CG 4.35Å; F627-E756 HydrophobicContact CD2-CB 4.38Å; F627-E756 HydrophobicContact CE2-CB 4.17Å; Q748-E756 CarbonylContact C-O 3.59Å; Q748-E756 VanDerWaalsContact CA-O 3.31Å; Q748-E756 WeakPolarHBondContact CA-O 3.43Å; S749-E756 PolarHBondContact N-O 3.2Å; S749-E756 PolarHBondContact O-N 2.92Å |
| 757 | I | 88.1 | Confident | 84.7 | Confident | 49 Ų | 49 | 45.8 Ų | 45.8 | 25% | 0.251 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 148.2 | -178.8 | 63 | 170.7 | 0 | 0 | 0 | 111.9 | L689 I746 I747 Q748 | L689-I757 HydrophobicContact CD2-CD1 4.33Å; L689-I757 HydrophobicContact CD2-CG2 4.22Å; I746-I757 HydrophobicContact CG2-CB 3.91Å; I746-I757 HydrophobicContact CG2-CG2 4.32Å; I747-I757 CarbonylContact O-C 3.51Å; I747-I757 VanDerWaalsContact O-CA 3.29Å; I747-I757 WeakPolarHBondContact O-CA 3.29Å; Q748-I757 HydrophobicContact CB-CG2 3.83Å; Q748-I757 HydrophobicContact CG-CG2 3.73Å |
| 758 | V | 89.2 | Confident | 83.6 | Confident | 31 Ų | 31 | 47.2 Ų | 47.2 | 19% | 0.188 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 141.5 | 172.2 | 67 | 0 | 0 | 0 | 0 | 110.6 | F627 F633 F635 I746 I747 | F627-V758 HydrophobicContact CB-CB 4.01Å; F627-V758 HydrophobicContact CB-CG1 4.32Å; F627-V758 HydrophobicContact CB-CG2 4.27Å; F627-V758 HydrophobicContact CD1-CB 4.15Å; F627-V758 HydrophobicContact CD1-CG1 3.55Å; F627-V758 HydrophobicContact CD2-CB 3.69Å; F627-V758 HydrophobicContact CD2-CG1 3.82Å; F627-V758 HydrophobicContact CE1-CG1 3.67Å; F627-V758 HydrophobicContact CE2-CB 4.17Å; F627-V758 HydrophobicContact CE2-CG1 3.94Å; F627-V758 HydrophobicContact CG-CB 3.68Å; F627-V758 HydrophobicContact CG-CG1 3.63Å; F627-V758 HydrophobicContact CG-CG2 4.44Å; F627-V758 HydrophobicContact CZ-CG1 3.87Å; F633-V758 HydrophobicContact CE1-CB 4.38Å; F633-V758 HydrophobicContact CE1-CG1 3.89Å; F633-V758 HydrophobicContact CE1-CG2 3.78Å; F633-V758 HydrophobicContact CZ-CG1 3.55Å; F633-V758 HydrophobicContact CZ-CG2 4.33Å; F635-V758 HydrophobicContact CD1-CG1 4.17Å; F635-V758 HydrophobicContact CE1-CG1 4.38Å; I746-V758 VanDerWaalsContact CA-O 3.31Å; I746-V758 WeakPolarHBondContact CA-O 3.46Å; I746-V758 WeakPolarHBondContact CG2-O 3.07Å; I747-V758 HydrophobicContact CB-CG1 4.09Å; I747-V758 PolarHBondContact N-O 2.75Å; I747-V758 PolarHBondContact O-N 2.98Å |
| 759 | R | 90.3 | Very high | 81.9 | Confident | 118 Ų | 118 | 50.7 Ų | 50.7 | 45% | 0.445 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 143 | -178.5 | -56.5 | -174.5 | -179.7 | 141.5 | -2.8 | 110.3 | F635 L689 G690 Y744 A745 I746 | F635-R759 VanDerWaalsContact CD1-C 3.5Å; L689-R759 PolarHBondContact O-NH2 2.83Å; G690-R759 PolarHBondContact O-NH2 3.32Å; Y744-R759 HydrophobicContact CD2-CB 4.38Å; Y744-R759 HydrophobicContact CD2-CG 4.46Å; Y744-R759 HydrophobicContact CE2-CG 4.48Å; A745-R759 CarbonylContact O-C 3.57Å; A745-R759 WeakPolarHBondContact O-CA 3.46Å; I746-R759 HydrophobicContact CG1-CG 4.19Å |
| 760 | S | 90.1 | Very high | 79.7 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 3% | 0.028 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -70 | 160.8 | 169.8 | 75.3 | 0 | 0 | 0 | 0 | 109.6 | F635 N636 A745 S762 | F635-S760 VanDerWaalsContact CD1-CA 3.47Å; F635-S760 VanDerWaalsContact CD1-N 3.33Å; N636-S760 WeakPolarHBondContact O-CB 3.23Å; A745-S760 PolarHBondContact N-OG 3.26Å; A745-S760 PolarHBondContact O-N 2.81Å; S760-S762 PolarHBondContact O-N 2.79Å |
| 761 | P | 85.2 | Confident | 77.6 | Confident | 69 Ų | 69 | 56.9 Ų | 56.9 | 45% | 0.448 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 134 | 165.3 | -17.7 | 28.1 | 0 | 0 | 0 | 109.9 | F635 P637 | F635-P761 VanDerWaalsContact O-CD 3.3Å; F635-P761 WeakPolarHBondContact O-CD 3.5Å; P637-P761 HydrophobicContact CB-CB 4.13Å; P637-P761 HydrophobicContact CB-CG 4.36Å |
| 762 | S | 84.2 | Confident | 75.1 | Confident | 76 Ų | 76 | 62.7 Ų | 62.7 | 53% | 0.531 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -79 | 140.9 | -177.2 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | S760 | S760-S762 PolarHBondContact O-N 2.79Š|
| 763 | V | 84.4 | Confident | 72.5 | Confident | 37 Ų | 37 | 63.2 Ų | 63.2 | 22% | 0.224 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 127.5 | 178 | 179.6 | 0 | 0 | 0 | 0 | 109.5 | P637 V638 P640 T742 V743 | P637-V763 HydrophobicContact CB-CG2 3.95Å; V638-V763 WeakPolarHBondContact O-CG2 3.4Å; P640-V763 HydrophobicContact CG-CG1 3.79Å; T742-V763 CarbonylContact C-O 3.57Å; T742-V763 WeakPolarHBondContact CA-O 3.43Å; V743-V763 HydrophobicContact CG1-CB 4.22Å; V743-V763 PolarHBondContact N-O 2.55Å; V743-V763 PolarHBondContact O-N 3Å |
| 764 | V | 82.7 | Confident | 70.2 | Confident | 97 Ų | 97 | 67.9 Ų | 67.9 | 59% | 0.588 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 136 | 179.4 | -176 | 0 | 0 | 0 | 0 | 109.6 | Y741 T742 | Y741-V764 CarbonylContact O-C 3.56Å; Y741-V764 WeakPolarHBondContact O-CA 3.28Å; T742-V764 HydrophobicContact CG2-CG2 4.21Å |
| 765 | F | 81.1 | Confident | 67.8 | Low | 10 Ų | 10 | 74.8 Ų | 74.8 | 4% | 0.044 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 151.1 | 177.7 | 71.4 | -96.2 | 0 | 0 | 0 | 111.6 | P640 F642 V648 L735 T740 Y741 V743 T767 | P640-F765 HydrophobicContact CB-CD1 4.47Å; F642-F765 AromaticContact CE1-CD2 3.87Å; F642-F765 HydrophobicContact CE1-CD2 3.87Å; F642-F765 HydrophobicContact CE2-CB 4.31Å; F642-F765 HydrophobicContact CZ-CB 3.71Å; F642-F765 AromaticContact CZ-CD2 3.92Å; F642-F765 HydrophobicContact CZ-CD2 3.92Å; F642-F765 HydrophobicContact CZ-CG 4.21Å; V648-F765 HydrophobicContact CG2-CD2 4.1Å; V648-F765 HydrophobicContact CG2-CE2 3.65Å; V648-F765 HydrophobicContact CG2-CZ 4.12Å; L735-F765 HydrophobicContact CD1-CE2 3.87Å; L735-F765 HydrophobicContact CD1-CZ 4.1Å; T740-F765 WeakPolarHBondContact CA-O 3.2Å; Y741-F765 HydrophobicContact CD2-CE2 4.24Å; Y741-F765 HydrophobicContact CG-CE2 4.39Å; Y741-F765 HydrophobicContact CG-CZ 4.26Å; Y741-F765 PolarHBondContact N-O 3.05Å; Y741-F765 PolarHBondContact O-N 2.9Å; V743-F765 HydrophobicContact CB-CE1 3.97Å; V743-F765 HydrophobicContact CG1-CD1 3.96Å; V743-F765 HydrophobicContact CG1-CE1 3.87Å; F765-T767 HydrophobicContact CE2-CG2 4.31Å |
| 766 | L | 78.5 | Confident | 65.1 | Low | 92 Ų | 92 | 80.1 Ų | 80.1 | 48% | 0.482 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 130.9 | 179.8 | 179.4 | 74.8 | 0 | 0 | 0 | 109.6 | F642 R739 T740 | F642-L766 VanDerWaalsContact CE1-O 3.23Å; F642-L766 WeakPolarHBondContact CE1-O 3.48Å; F642-L766 VanDerWaalsContact CZ-O 3.29Å; F642-L766 WeakPolarHBondContact CZ-O 3.22Å; R739-L766 WeakPolarHBondContact O-CA 3.46Å; T740-L766 HydrophobicContact CG2-CB 4.3Å; T740-L766 HydrophobicContact CG2-CD1 3.57Å |
| 767 | T | 77.5 | Confident | 62.4 | Low | 2 Ų | 2 | 80.4 Ų | 80.4 | 1% | 0.012 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -79 | 147.3 | 176 | 51.9 | 0 | 0 | 0 | 0 | 112.3 | S645 L735 E736 N738 R739 Y741 F765 | S645-T767 WeakPolarHBondContact O-CB 3.37Å; L735-T767 HydrophobicContact CB-CG2 3.91Å; L735-T767 HydrophobicContact CD1-CG2 4.06Å; E736-T767 WeakPolarHBondContact O-CB 3.33Å; E736-T767 PolarHBondContact O-OG1 2.83Å; N738-T767 VanDerWaalsContact CA-O 3.24Å; N738-T767 WeakPolarHBondContact CA-O 3.03Å; N738-T767 PolarHBondContact N-O 3.36Å; N738-T767 VanDerWaalsContact N-O 3.12Å; N738-T767 PolarHBondContact N-OG1 3.02Å; R739-T767 PolarHBondContact N-OG1 2.83Å; R739-T767 PolarHBondContact O-N 2.63Å; R739-T767 PolarHBondContact O-OG1 3.1Å; Y741-T767 HydrophobicContact CD2-CG2 4.03Å; Y741-T767 HydrophobicContact CE2-CG2 4.02Å; F765-T767 HydrophobicContact CE2-CG2 4.31Å |
| 768 | G | 66.7 | Low | 59.4 | Low | 31 Ų | 31 | 83.6 Ų | 83.6 | 32% | 0.32 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 160.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S645 P737 | S645-G768 PolarHBondContact O-N 3.01Å; P737-G768 WeakPolarHBondContact CB-O 3.34Å |
| 769 | S | 53.4 | Low | 56.5 | Low | 81 Ų | 81 | 87.2 Ų | 87.2 | 57% | 0.566 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -83.8 | 138.7 | 173.8 | 58.1 | 0 | 0 | 0 | 0 | 112.2 | S771 | S769-S771 VanDerWaalsContact C-N 3.32Å; S769-S771 PolarHBondContact O-N 3.49Å |
| 770 | N | 42.6 | Very low | 53.4 | Low | 125 Ų | 125 | 89.4 Ų | 89.4 | 67% | 0.668 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -74.7 | 80.3 | 173 | -83.1 | -2.9 | 0 | 0 | 0 | 110.7 | S645 | S645-N770 PolarHBondContact OG-OD1 2.54Š|
| 771 | S | 40.3 | Very low | 50.4 | Low | 83 Ų | 83 | 95.7 Ų | 95.7 | 58% | 0.58 | 59% | 0.594 | S | S | * | * | trans | -149.3 | 109 | 164 | 56.8 | 0 | 0 | 0 | 0 | 109.8 | S769 S773 | S769-S771 VanDerWaalsContact C-N 3.32Å; S769-S771 PolarHBondContact O-N 3.49Å; S771-S773 PolarHBondContact O-N 3.31Å | ||
| 772 | S | 32.2 | Very low | 47.6 | Very low | 127 Ų | 127 | 97.9 Ų | 97.9 | 89% | 0.888 | 61% | 0.609 | S | S | * | * | trans | -72.3 | 101.1 | 175 | 51.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 773 | S | 31.4 | Very low | 44.7 | Very low | 106 Ų | 106 | 101.2 Ų | 101.2 | 74% | 0.741 | 63% | 0.626 | S | S | * | * | trans | -161.2 | 126.6 | 157.4 | 55.9 | 0 | 0 | 0 | 0 | 110.5 | S771 | S771-S773 PolarHBondContact O-N 3.31Š| ||
| 774 | N | 29.1 | Very low | 41.9 | Very low | 153 Ų | 153 | 104.5 Ų | 104.5 | 82% | 0.818 | 65% | 0.65 | S | S | * | * | trans | -33.9 | 133.6 | 169.9 | -64.9 | -30.1 | 0 | 0 | 0 | 113.8 | ||||
| 775 | I | 28.7 | Very low | 39.1 | Very low | 166 Ų | 166 | 105.8 Ų | 105.8 | 85% | 0.851 | 66% | 0.663 | S | S | * | * | -179.4 | 141.5 | 126.8 | -87.8 | 151.6 | 0 | 0 | 0 | 108.8 | |||||
| 776 | D | 26.9 | Very low | 36.4 | Very low | 155 Ų | 155 | 112.7 Ų | 112.7 | 83% | 0.829 | 70% | 0.699 | S | S | * | * | trans | -49.6 | 144.8 | 179.2 | -65 | -62 | 0 | 0 | 0 | 116.2 | ||||
| 777 | G | 28.4 | Very low | 33.9 | Very low | 76 Ų | 76 | 117.5 Ų | 117.5 | 78% | 0.784 | 72% | 0.716 | S | S | * | * | trans | 67.8 | 96 | 139.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 778 | S | 25.8 | Very low | 31.5 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | trans | -161 | 116 | 130.9 | 46.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 779 | S | 26.8 | Very low | 29.6 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -79.2 | 114 | 172.6 | 41 | 0 | 0 | 0 | 0 | 110.2 | I781 | S779-I781 PolarHBondContact O-N 2.82Š| ||
| 780 | I | 24.8 | Very low | 28.4 | Very low | 165 Ų | 165 | 135.7 Ų | 135.7 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -83.3 | 104.4 | 168.5 | -61.4 | 174.3 | 0 | 0 | 0 | 107.7 | ||||
| 781 | I | 27.5 | Very low | 27.8 | Very low | 135 Ų | 135 | 135.3 Ų | 135.3 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | trans | -80.6 | 135.5 | 171.7 | -65.3 | 170 | 0 | 0 | 0 | 108.4 | S779 T783 | S779-I781 PolarHBondContact O-N 2.82Å; I781-T783 PolarHBondContact O-N 3.35Å | ||
| 782 | P | 25.9 | Very low | 27.5 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | -75.1 | 126.4 | -179.3 | -5.6 | 22 | 0 | 0 | 0 | 111.4 | S784 | P782-S784 PolarHBondContact O-N 2.98Š| ||
| 783 | T | 23.4 | Very low | 28 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | trans | -70 | 111.8 | 172.3 | 47.3 | 0 | 0 | 0 | 0 | 110.7 | I781 | I781-T783 PolarHBondContact O-N 3.35Š| ||
| 784 | S | 25.8 | Very low | 28.9 | Very low | 105 Ų | 105 | 138.7 Ų | 138.7 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -130.6 | 125 | 150.5 | 61.1 | 0 | 0 | 0 | 0 | 108.7 | P782 I786 | P782-S784 PolarHBondContact O-N 2.98Å; S784-I786 PolarHBondContact O-N 3.41Å | ||
| 785 | S | 24.3 | Very low | 29.8 | Very low | 124 Ų | 124 | 137 Ų | 137 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -60 | 113.4 | -174 | 49.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 786 | I | 25.1 | Very low | 30.9 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 80% | 0.795 | 77% | 0.772 | S | S | * | * | trans | -127.9 | 129.5 | 162.8 | -62.4 | -179 | 0 | 0 | 0 | 108.5 | S784 | S784-I786 PolarHBondContact O-N 3.41Š| ||
| 787 | K | 25.3 | Very low | 32.2 | Very low | 194 Ų | 194 | 132 Ų | 132 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | trans | -54.6 | 136 | -166.3 | -69.9 | 167.7 | 171.6 | 177.3 | 0 | 113.1 | N789 | K787-N789 PolarHBondContact O-N 3.2Å; K787-N789 VanDerWaalsContact O-N 3.15Å | ||
| 788 | N | 26.5 | Very low | 33.8 | Very low | 156 Ų | 156 | 131.3 Ų | 131.3 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | trans | -57.6 | 107.1 | 166.8 | -69.3 | -21.5 | 0 | 0 | 0 | 110.3 | ||||
| 789 | N | 27.1 | Very low | 35.4 | Very low | 149 Ų | 149 | 130.4 Ų | 130.4 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | trans | -103.2 | 97.7 | 156.6 | -83.6 | -5.6 | 0 | 0 | 0 | 107.3 | K787 T791 | K787-N789 PolarHBondContact O-N 3.2Å; K787-N789 VanDerWaalsContact O-N 3.15Å; N789-T791 PolarHBondContact O-N 3.12Å | ||
| 790 | Q | 27.9 | Very low | 37.3 | Very low | 190 Ų | 190 | 129.2 Ų | 129.2 | 89% | 0.888 | 73% | 0.726 | S | S | * | * | trans | -68.1 | 114.5 | 163.2 | -79.3 | 174.2 | -47.1 | 0 | 0 | 108 | ||||
| 791 | T | 30 | Very low | 39.5 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 72% | 0.718 | 71% | 0.711 | S | S | * | * | trans | -142.7 | 105.6 | 160.1 | 48.9 | 0 | 0 | 0 | 0 | 109.8 | N789 | N789-T791 PolarHBondContact O-N 3.12Š| ||
| 792 | D | 34.5 | Very low | 41.7 | Very low | 142 Ų | 142 | 121.5 Ų | 121.5 | 76% | 0.759 | 70% | 0.696 | S | S | * | * | trans | 58.3 | 104.1 | 137 | -55.4 | -24.1 | 0 | 0 | 0 | 119.9 | N794 | D792-N794 PolarHBondContact O-N 3.47Š| ||
| 793 | S | 43.8 | Very low | 44.1 | Very low | 101 Ų | 101 | 120.5 Ų | 120.5 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 6.1 | -175 | 50.4 | 0 | 0 | 0 | 0 | 117 | T796 | S793-T796 PolarHBondContact O-OG1 3.48Š|
| 794 | N | 49 | Very low | 46.7 | Very low | 144 Ų | 144 | 118.6 Ų | 118.6 | 77% | 0.77 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -12.7 | -176.9 | -81.2 | -3.2 | 0 | 0 | 0 | 115.1 | D792 | D792-N794 PolarHBondContact O-N 3.47Š|
| 795 | N | 48.7 | Very low | 49.3 | Very low | 117 Ų | 117 | 118.9 Ų | 118.9 | 63% | 0.626 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -85.5 | -17.3 | 174.9 | -85.6 | -17.5 | 0 | 0 | 0 | 113.9 | L797 A798 I799 | N795-L797 VanDerWaalsContact C-N 3.31Å; N795-L797 PolarHBondContact O-N 3.38Å; N795-A798 PolarHBondContact O-N 2.94Å; N795-I799 HydrophobicContact CB-CD1 4.21Å; N795-I799 WeakPolarHBondContact O-CD1 3.29Å; N795-I799 VanDerWaalsContact O-CG1 3.24Å; N795-I799 WeakPolarHBondContact O-CG1 3.28Å; N795-I799 PolarHBondContact O-N 3.38Å |
| 796 | T | 51.9 | Low | 51.9 | Low | 85 Ų | 85 | 115.3 Ų | 115.3 | 52% | 0.521 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -63.3 | -34.8 | -175.9 | -10.3 | 0 | 0 | 0 | 0 | 112.7 | S793 I799 V800 | S793-T796 PolarHBondContact O-OG1 3.48Å; T796-I799 PolarHBondContact O-N 3.44Å; T796-V800 WeakPolarHBondContact O-CB 3.31Å; T796-V800 WeakPolarHBondContact O-CG2 3.48Å; T796-V800 PolarHBondContact O-N 2.96Å |
| 797 | L | 54.7 | Low | 54.7 | Low | 132 Ų | 132 | 113 Ų | 113 | 69% | 0.691 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -75 | -35.2 | -178.2 | -146.9 | 127.2 | 0 | 0 | 0 | 112.1 | N795 L801 | N795-L797 VanDerWaalsContact C-N 3.31Å; N795-L797 PolarHBondContact O-N 3.38Å; L797-L801 HydrophobicContact CD2-CD1 4.07Å; L797-L801 WeakPolarHBondContact O-CB 3.19Å; L797-L801 PolarHBondContact O-N 3.03Å |
| 798 | A | 60.8 | Low | 57.5 | Low | 62 Ų | 62 | 107.4 Ų | 107.4 | 51% | 0.512 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70.9 | -37.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N795 G802 | N795-A798 PolarHBondContact O-N 2.94Å; A798-G802 PolarHBondContact O-N 3.36Å |
| 799 | I | 60.2 | Low | 60.2 | Low | 97 Ų | 97 | 104.8 Ų | 104.8 | 50% | 0.497 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68.2 | -41.7 | 175.6 | -66.9 | 165.7 | 0 | 0 | 0 | 110.5 | N795 T796 G802 I803 | N795-I799 HydrophobicContact CB-CD1 4.21Å; N795-I799 WeakPolarHBondContact O-CD1 3.29Å; N795-I799 VanDerWaalsContact O-CG1 3.24Å; N795-I799 WeakPolarHBondContact O-CG1 3.28Å; N795-I799 PolarHBondContact O-N 3.38Å; T796-I799 PolarHBondContact O-N 3.44Å; I799-G802 PolarHBondContact O-N 3.08Å; I799-I803 HydrophobicContact CG2-CD1 3.61Å; I799-I803 HydrophobicContact CG2-CG1 4.23Å; I799-I803 WeakPolarHBondContact O-CB 3.45Å; I799-I803 WeakPolarHBondContact O-CG1 3.16Å; I799-I803 PolarHBondContact O-N 3.15Å |
| 800 | V | 66.8 | Low | 62.8 | Low | 82 Ų | 82 | 103 Ų | 103 | 50% | 0.497 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64 | -43.8 | 176.4 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | T796 I803 L804 | T796-V800 WeakPolarHBondContact O-CB 3.31Å; T796-V800 WeakPolarHBondContact O-CG2 3.48Å; T796-V800 PolarHBondContact O-N 2.96Å; V800-I803 PolarHBondContact O-N 3.25Å; V800-L804 WeakPolarHBondContact O-CB 3.38Å; V800-L804 PolarHBondContact O-N 3.48Å |
| 801 | L | 70.6 | Confident | 65.4 | Low | 101 Ų | 101 | 97 Ų | 97 | 53% | 0.529 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.4 | -39.5 | 174 | -87.3 | 156.9 | 0 | 0 | 0 | 112.5 | L797 L804 L805 | L797-L801 HydrophobicContact CD2-CD1 4.07Å; L797-L801 WeakPolarHBondContact O-CB 3.19Å; L797-L801 PolarHBondContact O-N 3.03Å; L801-L804 PolarHBondContact O-N 2.93Å; L801-L805 WeakPolarHBondContact O-CB 3.49Å; L801-L805 PolarHBondContact O-N 3.4Å |
| 802 | G | 74.1 | Confident | 68.1 | Low | 37 Ų | 37 | 96.1 Ų | 96.1 | 38% | 0.381 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.1 | -40.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A798 I799 L805 A806 | A798-G802 PolarHBondContact O-N 3.36Å; I799-G802 PolarHBondContact O-N 3.08Å; G802-L805 PolarHBondContact O-N 2.89Å; G802-A806 VanDerWaalsContact O-CB 3.3Å; G802-A806 WeakPolarHBondContact O-CB 3.43Å; G802-A806 PolarHBondContact O-N 2.84Å |
| 803 | I | 75.9 | Confident | 70.4 | Confident | 94 Ų | 94 | 92.9 Ų | 92.9 | 48% | 0.482 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.9 | -41.4 | 174.9 | -68.9 | 166.9 | 0 | 0 | 0 | 110.2 | I799 V800 A806 L807 | I799-I803 HydrophobicContact CG2-CD1 3.61Å; I799-I803 HydrophobicContact CG2-CG1 4.23Å; I799-I803 WeakPolarHBondContact O-CB 3.45Å; I799-I803 WeakPolarHBondContact O-CG1 3.16Å; I799-I803 PolarHBondContact O-N 3.15Å; V800-I803 PolarHBondContact O-N 3.25Å; I803-A806 PolarHBondContact O-N 3.15Å; I803-L807 HydrophobicContact CG2-CD1 3.9Å; I803-L807 HydrophobicContact CG2-CG 4.31Å; I803-L807 WeakPolarHBondContact O-CB 3.43Å; I803-L807 VanDerWaalsContact O-CG 3.26Å; I803-L807 WeakPolarHBondContact O-CG 3.14Å; I803-L807 PolarHBondContact O-N 3.01Å |
| 804 | L | 77.7 | Confident | 72.2 | Confident | 106 Ų | 106 | 89.8 Ų | 89.8 | 56% | 0.555 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65 | -42.9 | 177 | -123.4 | 141.5 | 0 | 0 | 0 | 111.4 | V800 L801 L807 V808 | V800-L804 WeakPolarHBondContact O-CB 3.38Å; V800-L804 PolarHBondContact O-N 3.48Å; L801-L804 PolarHBondContact O-N 2.93Å; L804-L807 PolarHBondContact O-N 3.07Å; L804-V808 WeakPolarHBondContact O-CB 3.44Å; L804-V808 VanDerWaalsContact O-CG2 3.25Å; L804-V808 WeakPolarHBondContact O-CG2 3.31Å; L804-V808 PolarHBondContact O-N 2.81Å |
| 805 | L | 80.5 | Confident | 73.8 | Confident | 112 Ų | 112 | 89.9 Ų | 89.9 | 59% | 0.586 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.5 | -44.2 | 172.6 | -93.3 | 157.8 | 0 | 0 | 0 | 111.8 | L801 G802 V808 L809 | L801-L805 WeakPolarHBondContact O-CB 3.49Å; L801-L805 PolarHBondContact O-N 3.4Å; G802-L805 PolarHBondContact O-N 2.89Å; L805-V808 PolarHBondContact O-N 2.63Å; L805-L809 WeakPolarHBondContact O-CB 3.35Å; L805-L809 PolarHBondContact O-N 2.78Å |
| 806 | A | 79.7 | Confident | 75.4 | Confident | 49 Ų | 49 | 88.6 Ų | 88.6 | 41% | 0.405 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G802 I803 L809 L810 | G802-A806 VanDerWaalsContact O-CB 3.3Å; G802-A806 WeakPolarHBondContact O-CB 3.43Å; G802-A806 PolarHBondContact O-N 2.84Å; I803-A806 PolarHBondContact O-N 3.15Å; A806-L809 PolarHBondContact O-N 3.22Å; A806-L810 WeakPolarHBondContact O-CB 3.22Å; A806-L810 VanDerWaalsContact O-CG 3.27Å; A806-L810 WeakPolarHBondContact O-CG 3.49Å; A806-L810 PolarHBondContact O-N 2.97Å |
| 807 | L | 82.6 | Confident | 76.6 | Confident | 107 Ų | 107 | 89 Ų | 89 | 56% | 0.56 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.7 | -39.7 | 175.8 | -74.4 | 172 | 0 | 0 | 0 | 111.8 | I803 L804 L809 L810 A811 | I803-L807 HydrophobicContact CG2-CD1 3.9Å; I803-L807 HydrophobicContact CG2-CG 4.31Å; I803-L807 WeakPolarHBondContact O-CB 3.43Å; I803-L807 VanDerWaalsContact O-CG 3.26Å; I803-L807 WeakPolarHBondContact O-CG 3.14Å; I803-L807 PolarHBondContact O-N 3.01Å; L804-L807 PolarHBondContact O-N 3.07Å; L807-L809 VanDerWaalsContact C-N 3.34Å; L807-L810 PolarHBondContact O-N 3.04Å; L807-A811 VanDerWaalsContact O-CB 3.26Å; L807-A811 WeakPolarHBondContact O-CB 3.17Å; L807-A811 PolarHBondContact O-N 3.12Å |
| 808 | V | 84.2 | Confident | 77.8 | Confident | 76 Ų | 76 | 88.8 Ų | 88.8 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 173.4 | 171 | 0 | 0 | 0 | 0 | 110.7 | L804 L805 A811 L812 | L804-V808 WeakPolarHBondContact O-CB 3.44Å; L804-V808 VanDerWaalsContact O-CG2 3.25Å; L804-V808 WeakPolarHBondContact O-CG2 3.31Å; L804-V808 PolarHBondContact O-N 2.81Å; L805-V808 PolarHBondContact O-N 2.63Å; V808-A811 PolarHBondContact O-N 3.02Å; V808-L812 HydrophobicContact CG1-CD1 4.14Å; V808-L812 WeakPolarHBondContact O-CB 3.31Å; V808-L812 PolarHBondContact O-N 3.49Å |
| 809 | L | 84.2 | Confident | 78.5 | Confident | 101 Ų | 101 | 92.5 Ų | 92.5 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 176.2 | -125 | 136.8 | 0 | 0 | 0 | 111.9 | L805 A806 L807 L812 I813 | L805-L809 WeakPolarHBondContact O-CB 3.35Å; L805-L809 PolarHBondContact O-N 2.78Å; A806-L809 PolarHBondContact O-N 3.22Å; L807-L809 VanDerWaalsContact C-N 3.34Å; L809-L812 PolarHBondContact O-N 2.88Å; L809-I813 HydrophobicContact CD2-CD1 3.92Å; L809-I813 WeakPolarHBondContact O-CB 3.44Å; L809-I813 WeakPolarHBondContact O-CG1 3.43Å; L809-I813 PolarHBondContact O-N 2.86Å |
| 810 | L | 80.9 | Confident | 79 | Confident | 112 Ų | 112 | 91.9 Ų | 91.9 | 59% | 0.586 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.5 | -37 | 174.6 | -76.3 | 169.5 | 0 | 0 | 0 | 112 | A806 L807 G814 | A806-L810 WeakPolarHBondContact O-CB 3.22Å; A806-L810 VanDerWaalsContact O-CG 3.27Å; A806-L810 WeakPolarHBondContact O-CG 3.49Å; A806-L810 PolarHBondContact O-N 2.97Å; L807-L810 PolarHBondContact O-N 3.04Å; L810-G814 WeakPolarHBondContact O-CA 3.35Å; L810-G814 PolarHBondContact O-N 3.38Å |
| 811 | A | 82.7 | Confident | 78.7 | Confident | 62 Ų | 62 | 91.1 Ų | 91.1 | 51% | 0.512 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.4 | -41.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | L807 V808 G814 F815 | L807-A811 VanDerWaalsContact O-CB 3.26Å; L807-A811 WeakPolarHBondContact O-CB 3.17Å; L807-A811 PolarHBondContact O-N 3.12Å; V808-A811 PolarHBondContact O-N 3.02Å; A811-G814 CarbonylContact O-C 3.56Å; A811-G814 PolarHBondContact O-N 2.93Å; A811-F815 WeakPolarHBondContact O-CB 3.43Å; A811-F815 PolarHBondContact O-N 3.04Å |
| 812 | L | 86 | Confident | 78.1 | Confident | 100 Ų | 100 | 92.4 Ų | 92.4 | 52% | 0.524 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 173.6 | -92.2 | 159.4 | 0 | 0 | 0 | 112 | V808 L809 G814 F815 I816 | V808-L812 HydrophobicContact CG1-CD1 4.14Å; V808-L812 WeakPolarHBondContact O-CB 3.31Å; V808-L812 PolarHBondContact O-N 3.49Å; L809-L812 PolarHBondContact O-N 2.88Å; L812-G814 VanDerWaalsContact C-N 3.31Å; L812-G814 PolarHBondContact O-N 3.37Å; L812-F815 CarbonylContact O-C 3.59Å; L812-F815 PolarHBondContact O-N 3.46Å; L812-I816 WeakPolarHBondContact O-CB 3.28Å; L812-I816 WeakPolarHBondContact O-CD1 3.24Å; L812-I816 WeakPolarHBondContact O-CG1 3.32Å; L812-I816 PolarHBondContact O-N 2.75Å |
| 813 | I | 83.8 | Confident | 76.8 | Confident | 74 Ų | 74 | 97.1 Ų | 97.1 | 38% | 0.379 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 174.1 | -69.9 | 164.5 | 0 | 0 | 0 | 109.7 | L809 F815 I816 I817 | L809-I813 HydrophobicContact CD2-CD1 3.92Å; L809-I813 WeakPolarHBondContact O-CB 3.44Å; L809-I813 WeakPolarHBondContact O-CG1 3.43Å; L809-I813 PolarHBondContact O-N 2.86Å; I813-F815 VanDerWaalsContact C-N 3.32Å; I813-F815 PolarHBondContact O-N 3.32Å; I813-I816 PolarHBondContact O-N 3.34Å; I813-I817 HydrophobicContact CG2-CD1 3.61Å; I813-I817 HydrophobicContact CG2-CG1 4.21Å; I813-I817 WeakPolarHBondContact O-CB 3.32Å; I813-I817 WeakPolarHBondContact O-CG1 3.26Å; I813-I817 PolarHBondContact O-N 3.28Å |
| 814 | G | 81 | Confident | 75.5 | Confident | 36 Ų | 36 | 100 Ų | 100 | 37% | 0.371 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L810 A811 L812 Y818 | L810-G814 WeakPolarHBondContact O-CA 3.35Å; L810-G814 PolarHBondContact O-N 3.38Å; A811-G814 CarbonylContact O-C 3.56Å; A811-G814 PolarHBondContact O-N 2.93Å; L812-G814 VanDerWaalsContact C-N 3.31Å; L812-G814 PolarHBondContact O-N 3.37Å; G814-Y818 WeakPolarHBondContact O-CB 3.44Å; G814-Y818 PolarHBondContact O-N 2.82Å |
| 815 | F | 83.4 | Confident | 73.7 | Confident | 145 Ų | 145 | 105.1 Ų | 105.1 | 64% | 0.636 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -71.9 | -37.9 | 176 | -144.1 | -86.3 | 0 | 0 | 0 | 111.5 | A811 L812 I813 Y818 Y819 | A811-F815 WeakPolarHBondContact O-CB 3.43Å; A811-F815 PolarHBondContact O-N 3.04Å; L812-F815 CarbonylContact O-C 3.59Å; L812-F815 PolarHBondContact O-N 3.46Å; I813-F815 VanDerWaalsContact C-N 3.32Å; I813-F815 PolarHBondContact O-N 3.32Å; F815-Y818 PolarHBondContact O-N 3.41Å; F815-Y819 WeakPolarHBondContact O-CB 3.4Å; F815-Y819 PolarHBondContact O-N 3.38Å |
| 816 | I | 82.3 | Confident | 71.6 | Confident | 91 Ų | 91 | 106.3 Ų | 106.3 | 47% | 0.467 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.7 | -45.1 | 173.7 | -70.7 | 163.8 | 0 | 0 | 0 | 109.8 | L812 I813 Y819 I820 | L812-I816 WeakPolarHBondContact O-CB 3.28Å; L812-I816 WeakPolarHBondContact O-CD1 3.24Å; L812-I816 WeakPolarHBondContact O-CG1 3.32Å; L812-I816 PolarHBondContact O-N 2.75Å; I813-I816 PolarHBondContact O-N 3.34Å; I816-Y819 PolarHBondContact O-N 2.79Å; I816-I820 HydrophobicContact CG2-CD1 3.57Å; I816-I820 HydrophobicContact CG2-CG1 4.27Å; I816-I820 VanDerWaalsContact O-CB 3.29Å; I816-I820 WeakPolarHBondContact O-CB 3.45Å; I816-I820 WeakPolarHBondContact O-CG1 3.43Å; I816-I820 PolarHBondContact O-N 2.99Å |
| 817 | I | 76.6 | Confident | 69.4 | Low | 94 Ų | 94 | 109.1 Ų | 109.1 | 48% | 0.482 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.6 | -45.8 | 174.8 | -69.8 | 168.6 | 0 | 0 | 0 | 109.6 | I813 Y819 I820 C821 | I813-I817 HydrophobicContact CG2-CD1 3.61Å; I813-I817 HydrophobicContact CG2-CG1 4.21Å; I813-I817 WeakPolarHBondContact O-CB 3.32Å; I813-I817 WeakPolarHBondContact O-CG1 3.26Å; I813-I817 PolarHBondContact O-N 3.28Å; I817-Y819 VanDerWaalsContact C-N 3.31Å; I817-Y819 PolarHBondContact O-N 3.15Å; I817-I820 PolarHBondContact O-N 2.74Å; I817-C821 WeakPolarHBondContact O-CB 3.19Å; I817-C821 PolarHBondContact O-N 3.41Å; I817-C821 PolarHBondContact O-SG 3.47Å |
| 818 | Y | 79 | Confident | 66.8 | Low | 127 Ų | 127 | 105.8 Ų | 105.8 | 50% | 0.498 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 175.4 | 174.7 | -98 | 0 | 0 | 0 | 111.2 | G814 F815 C821 R822 | G814-Y818 WeakPolarHBondContact O-CB 3.44Å; G814-Y818 PolarHBondContact O-N 2.82Å; F815-Y818 PolarHBondContact O-N 3.41Å; Y818-C821 CarbonylContact O-C 3.5Å; Y818-C821 PolarHBondContact O-N 3.24Å; Y818-R822 WeakPolarHBondContact O-CA 3.42Å; Y818-R822 WeakPolarHBondContact O-CB 3.38Å; Y818-R822 PolarHBondContact O-N 2.9Å; Y818-R822 PolarHBondContact OH-NH1 2.87Å |
| 819 | Y | 75.5 | Confident | 64 | Low | 139 Ų | 139 | 109.9 Ų | 109.9 | 55% | 0.545 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69 | -41.2 | 177.8 | -167.9 | -99.9 | 0 | 0 | 0 | 111.7 | F815 I816 I817 R822 K823 | F815-Y819 WeakPolarHBondContact O-CB 3.4Å; F815-Y819 PolarHBondContact O-N 3.38Å; I816-Y819 PolarHBondContact O-N 2.79Å; I817-Y819 VanDerWaalsContact C-N 3.31Å; I817-Y819 PolarHBondContact O-N 3.15Å; Y819-R822 PolarHBondContact O-N 3.23Å; Y819-K823 HydrophobicContact CE1-CD 4.41Å; Y819-K823 VanDerWaalsContact O-CB 3.27Å; Y819-K823 WeakPolarHBondContact O-CB 3.44Å; Y819-K823 PolarHBondContact O-N 3.12Å |
| 820 | I | 71.3 | Confident | 61.2 | Low | 84 Ų | 84 | 115.1 Ų | 115.1 | 43% | 0.431 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.8 | -43 | 173.5 | -70.5 | 167.9 | 0 | 0 | 0 | 110.2 | I816 I817 K823 K824 | I816-I820 HydrophobicContact CG2-CD1 3.57Å; I816-I820 HydrophobicContact CG2-CG1 4.27Å; I816-I820 VanDerWaalsContact O-CB 3.29Å; I816-I820 WeakPolarHBondContact O-CB 3.45Å; I816-I820 WeakPolarHBondContact O-CG1 3.43Å; I816-I820 PolarHBondContact O-N 2.99Å; I817-I820 PolarHBondContact O-N 2.74Å; I820-K823 PolarHBondContact O-N 3.09Å; I820-K824 HydrophobicContact CG2-CD 4.48Å; I820-K824 VanDerWaalsContact O-CB 3.26Å; I820-K824 WeakPolarHBondContact O-CB 3.43Å; I820-K824 WeakPolarHBondContact O-CG 3.33Å; I820-K824 PolarHBondContact O-N 2.03Å |
| 821 | C | 60.7 | Low | 58.6 | Low | 67 Ų | 67 | 115.6 Ų | 115.6 | 45% | 0.453 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.7 | -34.2 | 176.2 | -74.7 | 0 | 0 | 0 | 0 | 111.7 | I817 Y818 K824 R825 | I817-C821 WeakPolarHBondContact O-CB 3.19Å; I817-C821 PolarHBondContact O-N 3.41Å; I817-C821 PolarHBondContact O-SG 3.47Å; Y818-C821 CarbonylContact O-C 3.5Å; Y818-C821 PolarHBondContact O-N 3.24Å; C821-K824 CarbonylContact O-C 3.58Å; C821-R825 VanDerWaalsContact O-CB 3.26Å; C821-R825 WeakPolarHBondContact O-CB 3.41Å; C821-R825 PolarHBondContact O-N 2.95Å |
| 822 | R | 57.5 | Low | 55.9 | Low | 128 Ų | 128 | 121.4 Ų | 121.4 | 48% | 0.483 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -74.5 | -39.2 | 175.8 | -172.9 | 173.8 | 171.8 | 163.3 | -5.5 | 111.2 | Y818 Y819 R825 Q826 | Y818-R822 WeakPolarHBondContact O-CA 3.42Å; Y818-R822 WeakPolarHBondContact O-CB 3.38Å; Y818-R822 PolarHBondContact O-N 2.9Å; Y818-R822 PolarHBondContact OH-NH1 2.87Å; Y819-R822 PolarHBondContact O-N 3.23Å; R822-R825 CarbonylContact O-C 3.56Å; R822-R825 PolarHBondContact O-N 2.96Å; R822-Q826 PolarHBondContact O-N 3.49Å |
| 823 | K | 47.8 | Very low | 52.9 | Low | 135 Ų | 135 | 126 Ų | 126 | 59% | 0.587 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.5 | -35.5 | 173.2 | -146.2 | 179 | -173.8 | -174.8 | 0 | 111.2 | Y819 I820 Q826 S827 | Y819-K823 HydrophobicContact CE1-CD 4.41Å; Y819-K823 VanDerWaalsContact O-CB 3.27Å; Y819-K823 WeakPolarHBondContact O-CB 3.44Å; Y819-K823 PolarHBondContact O-N 3.12Å; I820-K823 PolarHBondContact O-N 3.09Å; K823-Q826 PolarHBondContact O-N 3.19Å; K823-S827 WeakPolarHBondContact O-CB 3.47Å; K823-S827 PolarHBondContact O-N 3.29Å |
| 824 | K | 48.6 | Very low | 50.1 | Low | 155 Ų | 155 | 128.8 Ų | 128.8 | 67% | 0.674 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.4 | -29.6 | 168.7 | -78.8 | -171.5 | 175.1 | -177.3 | 0 | 113.1 | I820 C821 G828 | I820-K824 HydrophobicContact CG2-CD 4.48Å; I820-K824 VanDerWaalsContact O-CB 3.26Å; I820-K824 WeakPolarHBondContact O-CB 3.43Å; I820-K824 WeakPolarHBondContact O-CG 3.33Å; I820-K824 PolarHBondContact O-N 2.03Å; C821-K824 CarbonylContact O-C 3.58Å; K824-G828 PolarHBondContact O-N 2.99Å |
| 825 | R | 38.8 | Very low | 47.5 | Very low | 214 Ų | 214 | 134.7 Ų | 134.7 | 81% | 0.808 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -73.7 | -31.3 | 171 | -92.8 | -177 | 168.4 | 171 | -2.8 | 112.7 | C821 R822 G828 | C821-R825 VanDerWaalsContact O-CB 3.26Å; C821-R825 WeakPolarHBondContact O-CB 3.41Å; C821-R825 PolarHBondContact O-N 2.95Å; R822-R825 CarbonylContact O-C 3.56Å; R822-R825 PolarHBondContact O-N 2.96Å; R825-G828 CarbonylContact O-C 3.54Å |
| 826 | Q | 36.9 | Very low | 44.9 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 64% | 0.64 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -79.1 | -28.4 | 172.5 | -76.8 | -174.6 | -22.6 | 0 | 0 | 112.8 | R822 K823 G828 | R822-Q826 PolarHBondContact O-N 3.49Å; K823-Q826 PolarHBondContact O-N 3.19Å; Q826-G828 VanDerWaalsContact C-N 3.33Å |
| 827 | S | 33.8 | Very low | 42.5 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 76% | 0.755 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -81.6 | -13 | 169 | -175 | 0 | 0 | 0 | 0 | 113.4 | K823 Q829 | K823-S827 WeakPolarHBondContact O-CB 3.47Å; K823-S827 PolarHBondContact O-N 3.29Å; S827-Q829 VanDerWaalsContact C-N 3.31Å |
| 828 | G | 28.7 | Very low | 40.2 | Very low | 36 Ų | 36 | 139.3 Ų | 139.3 | 37% | 0.371 | 65% | 0.653 | S | S | . | * | trans | -97.3 | 42.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | K824 R825 Q826 Y830 | K824-G828 PolarHBondContact O-N 2.99Å; R825-G828 CarbonylContact O-C 3.54Å; Q826-G828 VanDerWaalsContact C-N 3.33Å; G828-Y830 VanDerWaalsContact C-N 3.28Å; G828-Y830 PolarHBondContact O-N 3.26Å | ||
| 829 | Q | 24.2 | Very low | 37.9 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 76% | 0.757 | 66% | 0.66 | S | S | * | * | trans | -58.1 | 105.9 | 155.3 | -97.7 | 179.8 | -19.3 | 0 | 0 | 105.6 | S827 V831 | S827-Q829 VanDerWaalsContact C-N 3.31Å; Q829-V831 PolarHBondContact O-N 3.36Å | ||
| 830 | Y | 26.4 | Very low | 35.5 | Very low | 212 Ų | 212 | 140.1 Ų | 140.1 | 83% | 0.831 | 68% | 0.675 | S | S | * | * | trans | -50.7 | 97.8 | 164.7 | -69.9 | -93.4 | 0 | 0 | 0 | 106.1 | G828 F832 | G828-Y830 VanDerWaalsContact C-N 3.28Å; G828-Y830 PolarHBondContact O-N 3.26Å; Y830-F832 PolarHBondContact O-N 2.94Å | ||
| 831 | V | 25.4 | Very low | 33.7 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 74% | 0.739 | 68% | 0.677 | S | S | * | * | trans | -70 | 84 | 169.7 | -176.9 | 0 | 0 | 0 | 0 | 104.1 | Q829 R833 | Q829-V831 PolarHBondContact O-N 3.36Å; V831-R833 PolarHBondContact O-N 2.9Å | ||
| 832 | F | 25.5 | Very low | 32.2 | Very low | 183 Ų | 183 | 140.3 Ų | 140.3 | 80% | 0.803 | 68% | 0.681 | S | S | * | * | trans | -54.3 | 91.2 | 150 | -90.8 | -85.2 | 0 | 0 | 0 | 104.3 | Y830 N834 | Y830-F832 PolarHBondContact O-N 2.94Å; F832-N834 VanDerWaalsContact C-N 3.29Å; F832-N834 PolarHBondContact O-N 2.77Å | ||
| 833 | R | 24.8 | Very low | 31.1 | Very low | 197 Ų | 197 | 142.2 Ų | 142.2 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | trans | -60.2 | 106.3 | 166.6 | -137 | 179.8 | -173.2 | -177.3 | 0.7 | 103.2 | V831 Y835 | V831-R833 PolarHBondContact O-N 2.9Å; R833-Y835 PolarHBondContact O-N 2.94Å | ||
| 834 | N | 23.9 | Very low | 30.6 | Very low | 132 Ų | 132 | 144.2 Ų | 144.2 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | trans | -59.2 | 82.8 | 176.1 | -92 | -21.8 | 0 | 0 | 0 | 108.3 | F832 S836 | F832-N834 VanDerWaalsContact C-N 3.29Å; F832-N834 PolarHBondContact O-N 2.77Å; N834-S836 PolarHBondContact O-N 2.83Å; N834-S836 PolarHBondContact OD1-OG 3.3Å | ||
| 835 | Y | 25.7 | Very low | 30.5 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 63% | 0.627 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 9.9 | 165.6 | -107.7 | -83.1 | 0 | 0 | 0 | 111.4 | R833 K837 | R833-Y835 PolarHBondContact O-N 2.94Å; Y835-K837 VanDerWaalsContact C-N 3.32Å; Y835-K837 PolarHBondContact O-N 2.89Å |
| 836 | S | 29.5 | Very low | 31.2 | Very low | 93 Ų | 93 | 135.8 Ų | 135.8 | 65% | 0.65 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 0.1 | 178.4 | 37.8 | 0 | 0 | 0 | 0 | 114.4 | N834 | N834-S836 PolarHBondContact O-N 2.83Å; N834-S836 PolarHBondContact OD1-OG 3.3Å |
| 837 | K | 31.4 | Very low | 32 | Very low | 185 Ų | 185 | 133.6 Ų | 133.6 | 80% | 0.804 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -105.2 | -13.9 | 177.6 | -89.9 | -169.3 | 174.6 | -174.9 | 0 | 117.6 | Y835 | Y835-K837 VanDerWaalsContact C-N 3.32Å; Y835-K837 PolarHBondContact O-N 2.89Å |
| 838 | D | 29.1 | Very low | 33.2 | Very low | 149 Ų | 149 | 131.8 Ų | 131.8 | 80% | 0.797 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -116.3 | 4.6 | 178.8 | -70.1 | -32.7 | 0 | 0 | 0 | 115.1 | N840 | D838-N840 PolarHBondContact O-N 3.38Š|
| 839 | L | 30.1 | Very low | 35.2 | Very low | 125 Ų | 125 | 133 Ų | 133 | 65% | 0.654 | 66% | 0.655 | S | S | * | * | trans | -81 | 52.2 | 166.7 | -100.8 | 117.6 | 0 | 0 | 0 | 111.8 | V841 | L839-V841 HydrophobicContact CB-CG2 4.48Å; L839-V841 HydrophobicContact CD2-CG2 3.59Å; L839-V841 HydrophobicContact CG-CG2 4.03Å; L839-V841 PolarHBondContact O-N 3.24Å | ||
| 840 | N | 26 | Very low | 37.8 | Very low | 159 Ų | 159 | 125.8 Ų | 125.8 | 85% | 0.85 | 62% | 0.621 | S | S | * | * | trans | -74.6 | 58.6 | 154.2 | -87.9 | -13.7 | 0 | 0 | 0 | 108.6 | D838 S842 | D838-N840 PolarHBondContact O-N 3.38Å; N840-S842 PolarHBondContact O-N 3.35Å; N840-S842 VanDerWaalsContact O-N 3.11Å | ||
| 841 | V | 32.3 | Very low | 40.4 | Very low | 78 Ų | 78 | 115.7 Ų | 115.7 | 47% | 0.473 | 58% | 0.582 | S | S | . | * | trans | -71.3 | 107.3 | 168.9 | 176.4 | 0 | 0 | 0 | 0 | 105.9 | L839 F843 K845 | L839-V841 HydrophobicContact CB-CG2 4.48Å; L839-V841 HydrophobicContact CD2-CG2 3.59Å; L839-V841 HydrophobicContact CG-CG2 4.03Å; L839-V841 PolarHBondContact O-N 3.24Å; V841-F843 PolarHBondContact O-N 2.75Å; V841-K845 HydrophobicContact CG1-CB 4.49Å | ||
| 842 | S | 29.3 | Very low | 42.7 | Very low | 77 Ų | 77 | 115.3 Ų | 115.3 | 54% | 0.538 | 58% | 0.576 | S | S | . | * | trans | -36.7 | 129.8 | 171.1 | 164.2 | 0 | 0 | 0 | 0 | 110.8 | N840 E844 K845 | N840-S842 PolarHBondContact O-N 3.35Å; N840-S842 VanDerWaalsContact O-N 3.11Å; S842-E844 PolarHBondContact O-N 3.2Å; S842-K845 PolarHBondContact O-N 3.28Å | ||
| 843 | F | 35.7 | Very low | 45.3 | Very low | 167 Ų | 167 | 106.7 Ų | 106.7 | 73% | 0.732 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -58.8 | -13 | -166.4 | -100.5 | -100.7 | 0 | 0 | 0 | 115 | V841 K845 | V841-F843 PolarHBondContact O-N 2.75Å; F843-K845 PolarHBondContact O-N 2.99Å |
| 844 | E | 37.5 | Very low | 47.9 | Very low | 177 Ų | 177 | 101.3 Ų | 101.3 | 83% | 0.827 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -76.3 | -12 | -177 | -71.7 | -176.5 | 152.6 | 0 | 0 | 115.2 | S842 | S842-E844 PolarHBondContact O-N 3.2Š|
| 845 | K | 46.3 | Very low | 50.2 | Low | 128 Ų | 128 | 96 Ų | 96 | 56% | 0.557 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -104.2 | 11.2 | -171.3 | -71 | -173.4 | 177.6 | -178.4 | 0 | 117.1 | V841 S842 F843 C848 | V841-K845 HydrophobicContact CG1-CB 4.49Å; S842-K845 PolarHBondContact O-N 3.28Å; F843-K845 PolarHBondContact O-N 2.99Å; K845-C848 PolarHBondContact O-SG 3.43Å |
| 846 | K | 53.7 | Low | 52.5 | Low | 65 Ų | 65 | 89.8 Ų | 89.8 | 28% | 0.283 | 47% | 0.468 | S | S | . | . | trans | -73.2 | -34.2 | -172.6 | -77.9 | -179.9 | 179.2 | 168.7 | 0 | 118.9 | C848 L849 L891 | K846-C848 VanDerWaalsContact C-N 3.31Å; K846-C848 PolarHBondContact O-N 3.29Å; K846-L849 PolarHBondContact O-N 2.93Å; K846-L891 HydrophobicContact CB-CD2 4.09Å; K846-L891 HydrophobicContact CD-CD2 4.07Å; K846-L891 HydrophobicContact CG-CD2 3.97Å | ||
| 847 | P | 53 | Low | 54.8 | Low | 90 Ų | 90 | 85.5 Ų | 85.5 | 58% | 0.584 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -70 | -23.6 | -168.3 | 21.7 | -29 | 0 | 0 | 0 | 114.3 | L849 L850 | P847-L849 PolarHBondContact O-N 3.28Å; P847-L850 PolarHBondContact O-N 3.48Å |
| 848 | C | 58.6 | Low | 57 | Low | 70 Ų | 70 | 77.6 Ų | 77.6 | 47% | 0.473 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -76.6 | -1.9 | -178.3 | 61.7 | 0 | 0 | 0 | 0 | 115.2 | K845 K846 | K845-C848 PolarHBondContact O-SG 3.43Å; K846-C848 VanDerWaalsContact C-N 3.31Å; K846-C848 PolarHBondContact O-N 3.29Å |
| 849 | L | 70.3 | Confident | 59.2 | Low | 62 Ų | 62 | 72.2 Ų | 72.2 | 33% | 0.325 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -101.5 | 0.5 | 178.2 | -68.2 | 177.7 | 0 | 0 | 0 | 113.1 | K846 P847 L891 M1191 T1195 | K846-L849 PolarHBondContact O-N 2.93Å; P847-L849 PolarHBondContact O-N 3.28Å; L849-L891 HydrophobicContact CB-CD1 3.66Å; L849-M1191 HydrophobicContact CB-CE 4.45Å; L849-M1191 HydrophobicContact CB-SD 4.5Å; L849-M1191 HydrophobicContact CD2-CB 4.47Å; L849-T1195 VanDerWaalsContact O-CG2 3.23Å; L849-T1195 WeakPolarHBondContact O-CG2 3.44Å |
| 850 | L | 78.4 | Confident | 61.4 | Low | 10 Ų | 10 | 66.5 Ų | 66.5 | 5% | 0.052 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -98.8 | 141.7 | 171.6 | -152.3 | 74.8 | 0 | 0 | 0 | 108 | P847 Y854 L887 L890 L891 F894 | P847-L850 PolarHBondContact O-N 3.48Å; L850-Y854 HydrophobicContact CD2-CD1 3.47Å; L850-Y854 VanDerWaalsContact CD2-CD1 3.47Å; L850-Y854 HydrophobicContact CD2-CD2 3.58Å; L850-Y854 HydrophobicContact CD2-CE1 3.99Å; L850-Y854 HydrophobicContact CD2-CE2 4.09Å; L850-Y854 HydrophobicContact CD2-CG 3.23Å; L850-Y854 HydrophobicContact CG-CD1 4.2Å; L850-Y854 HydrophobicContact CG-CG 3.93Å; L850-L887 HydrophobicContact CD2-CD1 3.37Å; L850-L887 HydrophobicContact CD2-CG 4.18Å; L850-L890 HydrophobicContact CD1-CB 4.1Å; L850-L890 HydrophobicContact CD2-CB 4.47Å; L850-L891 HydrophobicContact CD1-CB 4.1Å; L850-L891 HydrophobicContact CD1-CD1 4.21Å; L850-F894 HydrophobicContact CD1-CD2 3.63Å; L850-F894 HydrophobicContact CD1-CE2 4.12Å |
| 851 | P | 81.2 | Confident | 63.5 | Low | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -60.2 | 143.5 | 171.5 | 23 | -31 | 0 | 0 | 0 | 110.2 | S853 Y854 F894 D1199 | P851-S853 PolarHBondContact O-N 2.98Å; P851-Y854 VanDerWaalsContact O-CB 3.26Å; P851-Y854 WeakPolarHBondContact O-CB 3.3Å; P851-Y854 VanDerWaalsContact O-CD1 3.24Å; P851-Y854 WeakPolarHBondContact O-CD1 3.43Å; P851-Y854 PolarHBondContact O-N 2.98Å; P851-F894 HydrophobicContact CG-CD1 4.27Å; P851-F894 HydrophobicContact CG-CD2 4.49Å; P851-F894 HydrophobicContact CG-CE1 3.65Å; P851-F894 HydrophobicContact CG-CE2 3.91Å; P851-F894 HydrophobicContact CG-CZ 3.44Å; P851-F894 VanDerWaalsContact CG-CZ 3.44Å; P851-D1199 WeakPolarHBondContact CA-OD2 3.19Å; P851-D1199 VanDerWaalsContact CB-OD1 3.29Å; P851-D1199 WeakPolarHBondContact CB-OD1 3.23Å | ||
| 852 | D | 75.2 | Confident | 65.3 | Low | 115 Ų | 115 | 72 Ų | 72 | 62% | 0.615 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -30 | 176.2 | -71.8 | -24.1 | 0 | 0 | 0 | 111.2 | Y854 D1199 | D852-Y854 VanDerWaalsContact C-N 3.28Å; D852-Y854 PolarHBondContact O-N 2.85Å; D852-D1199 PolarHBondContact N-OD1 3.12Å; D852-D1199 PolarHBondContact N-OD2 2.76Å |
| 853 | S | 79.6 | Confident | 67 | Low | 2 Ų | 2 | 72.5 Ų | 72.5 | 1% | 0.014 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 9 | 176.4 | 60.6 | 0 | 0 | 0 | 0 | 114.6 | P851 A855 W856 W857 D1199 F1202 | P851-S853 PolarHBondContact O-N 2.98Å; S853-A855 PolarHBondContact O-N 2.7Å; S853-W856 VanDerWaalsContact O-CB 3.32Å; S853-W856 WeakPolarHBondContact O-CB 3.47Å; S853-W856 PolarHBondContact O-N 3.22Å; S853-W857 PolarHBondContact OG-NE1 2.99Å; S853-D1199 VanDerWaalsContact CB-OD1 3.26Å; S853-D1199 WeakPolarHBondContact CB-OD1 3.43Å; S853-D1199 PolarHBondContact N-OD1 2.85Å; S853-D1199 PolarHBondContact OG-OD1 3.17Å; S853-F1202 VanDerWaalsContact CB-CG 3.49Å |
| 854 | Y | 79.4 | Confident | 68.4 | Low | 84 Ų | 84 | 67.3 Ų | 67.3 | 33% | 0.329 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -51.4 | -34.7 | -172 | 72.1 | -89.2 | 0 | 0 | 0 | 115.1 | L850 P851 D852 W856 W857 L887 L890 | L850-Y854 HydrophobicContact CD2-CD1 3.47Å; L850-Y854 VanDerWaalsContact CD2-CD1 3.47Å; L850-Y854 HydrophobicContact CD2-CD2 3.58Å; L850-Y854 HydrophobicContact CD2-CE1 3.99Å; L850-Y854 HydrophobicContact CD2-CE2 4.09Å; L850-Y854 HydrophobicContact CD2-CG 3.23Å; L850-Y854 HydrophobicContact CG-CD1 4.2Å; L850-Y854 HydrophobicContact CG-CG 3.93Å; P851-Y854 VanDerWaalsContact O-CB 3.26Å; P851-Y854 WeakPolarHBondContact O-CB 3.3Å; P851-Y854 VanDerWaalsContact O-CD1 3.24Å; P851-Y854 WeakPolarHBondContact O-CD1 3.43Å; P851-Y854 PolarHBondContact O-N 2.98Å; D852-Y854 VanDerWaalsContact C-N 3.28Å; D852-Y854 PolarHBondContact O-N 2.85Å; Y854-W856 PolarHBondContact O-N 3.38Å; Y854-W857 PolarHBondContact O-N 3.44Å; Y854-L887 HydrophobicContact CD2-CD1 4.48Å; Y854-L887 HydrophobicContact CE1-CD1 4.21Å; Y854-L887 HydrophobicContact CE2-CD1 3.84Å; Y854-L890 HydrophobicContact CD2-CD1 3.76Å; Y854-L890 HydrophobicContact CE2-CD1 3.99Å |
| 855 | A | 72.5 | Confident | 70 | Confident | 20 Ų | 20 | 62.6 Ų | 62.6 | 17% | 0.165 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -64.1 | -19.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S853 V882 | S853-A855 PolarHBondContact O-N 2.7Å; A855-V882 WeakPolarHBondContact O-CG2 3.4Å |
| 856 | W | 73.8 | Confident | 71.5 | Confident | 30 Ų | 30 | 57.8 Ų | 57.8 | 11% | 0.114 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -91.6 | -12.1 | -176.8 | -61.2 | 99.3 | 0 | 0 | 0 | 113.9 | S853 Y854 L869 I870 P877 F1202 | S853-W856 VanDerWaalsContact O-CB 3.32Å; S853-W856 WeakPolarHBondContact O-CB 3.47Å; S853-W856 PolarHBondContact O-N 3.22Å; Y854-W856 PolarHBondContact O-N 3.38Å; W856-L869 HydrophobicContact CB-CD2 4.27Å; W856-L869 WeakPolarHBondContact O-CA 3.45Å; W856-I870 PolarHBondContact O-N 3.28Å; W856-P877 HydrophobicContact CH2-CB 3.75Å; W856-P877 WeakPolarHBondContact CH2-O 3.47Å; W856-P877 HydrophobicContact CZ2-CB 3.77Å; W856-P877 WeakPolarHBondContact CZ2-O 3.31Å; W856-F1202 HydrophobicContact CB-CD2 3.84Å; W856-F1202 HydrophobicContact CB-CE2 3.67Å; W856-F1202 AromaticContact CD1-CE2 3.39Å; W856-F1202 AromaticContact CD1-CZ 3.64Å; W856-F1202 AromaticContact CD2-CE2 3.75Å; W856-F1202 HydrophobicContact CD2-CE2 3.75Å; W856-F1202 HydrophobicContact CD2-CZ 4.25Å; W856-F1202 AromaticContact CG-CD2 3.89Å; W856-F1202 HydrophobicContact CG-CD2 3.89Å; W856-F1202 AromaticContact CG-CE2 3.23Å; W856-F1202 HydrophobicContact CG-CE2 3.23Å; W856-F1202 AromaticContact CG-CZ 3.91Å; W856-F1202 HydrophobicContact CG-CZ 3.91Å; W856-F1202 AromaticContact NE1-CE2 3.97Å; W856-F1202 AromaticContact NE1-CZ 3.85Å |
| 857 | W | 78.3 | Confident | 72.8 | Confident | 3 Ų | 3 | 55 Ų | 55 | 1% | 0.011 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -102.4 | 129.9 | -174.2 | -64.5 | 101.2 | 0 | 0 | 0 | 110.8 | S853 Y854 R867 L869 F894 Y1198 L1201 F1202 | S853-W857 PolarHBondContact OG-NE1 2.99Å; Y854-W857 PolarHBondContact O-N 3.44Å; W857-R867 HydrophobicContact CE3-CB 3.87Å; W857-L869 HydrophobicContact CD2-CD2 3.84Å; W857-L869 HydrophobicContact CE3-CD2 3.79Å; W857-L869 HydrophobicContact CE3-CG 4.05Å; W857-L869 HydrophobicContact CH2-CD1 4.16Å; W857-L869 HydrophobicContact CH2-CD2 3.66Å; W857-L869 HydrophobicContact CH2-CG 3.84Å; W857-L869 HydrophobicContact CZ2-CD2 3.68Å; W857-L869 HydrophobicContact CZ2-CG 4.37Å; W857-L869 HydrophobicContact CZ3-CD1 4.35Å; W857-L869 HydrophobicContact CZ3-CD2 3.72Å; W857-L869 HydrophobicContact CZ3-CG 3.66Å; W857-F894 HydrophobicContact CB-CZ 4.48Å; W857-Y1198 AromaticContact CD2-CD1 3.82Å; W857-Y1198 HydrophobicContact CD2-CD1 3.82Å; W857-Y1198 HydrophobicContact CD2-CE1 4.41Å; W857-Y1198 AromaticContact CE2-CD1 3.71Å; W857-Y1198 HydrophobicContact CE3-CD1 4.06Å; W857-Y1198 HydrophobicContact CE3-CE1 4.3Å; W857-Y1198 HydrophobicContact CG-CD1 4.4Å; W857-Y1198 HydrophobicContact CH2-CD1 4.07Å; W857-Y1198 AromaticContact CZ2-CD1 3.85Å; W857-Y1198 HydrophobicContact CZ2-CD1 3.85Å; W857-Y1198 VanDerWaalsContact CZ2-O 3.32Å; W857-Y1198 WeakPolarHBondContact CZ2-O 3.41Å; W857-Y1198 HydrophobicContact CZ3-CD1 4.16Å; W857-Y1198 HydrophobicContact CZ3-CE1 4.44Å; W857-L1201 HydrophobicContact CH2-CB 4.21Å; W857-L1201 HydrophobicContact CZ2-CB 4.31Å; W857-F1202 HydrophobicContact CZ2-CB 4.01Å |
| 858 | S | 76.5 | Confident | 73.8 | Confident | 18 Ų | 18 | 56.9 Ų | 56.9 | 13% | 0.126 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -60 | 151.8 | 172.1 | 76.8 | 0 | 0 | 0 | 0 | 111.4 | P860 R867 Y868 | S858-P860 WeakPolarHBondContact O-CD 3.17Å; S858-R867 PolarHBondContact O-NH1 2.65Å; S858-Y868 PolarHBondContact N-O 3.34Å; S858-Y868 PolarHBondContact OG-N 3.13Å |
| 859 | V | 76.6 | Confident | 74.4 | Confident | 36 Ų | 36 | 55.8 Ų | 55.8 | 22% | 0.218 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -85.8 | 116.2 | 171.9 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | V882 W885 L890 T893 | V859-V882 HydrophobicContact CG2-CG1 4.33Å; V859-W885 HydrophobicContact CG1-CE3 4.36Å; V859-W885 HydrophobicContact CG1-CH2 3.8Å; V859-W885 HydrophobicContact CG1-CZ2 4.07Å; V859-W885 HydrophobicContact CG1-CZ3 3.95Å; V859-W885 HydrophobicContact CG2-CD2 4.39Å; V859-L890 HydrophobicContact CG2-CD2 3.6Å; V859-T893 HydrophobicContact CG1-CG2 3.77Å |
| 860 | P | 76.1 | Confident | 74.2 | Confident | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.032 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 136.6 | 177.5 | 28.6 | -28.1 | 0 | 0 | 0 | 109.4 | S858 E865 R867 R896 E897 | S858-P860 WeakPolarHBondContact O-CD 3.17Å; P860-E865 HydrophobicContact CB-CB 3.99Å; P860-R867 VanDerWaalsContact CD-CZ 3.4Å; P860-R867 HydrophobicContact CG-CG 4.01Å; P860-R896 PolarHBondContact O-NH2 3.4Å; P860-E897 WeakPolarHBondContact CG-OE1 3.28Å |
| 861 | R | 68.6 | Low | 73 | Confident | 218 Ų | 218 | 58.7 Ų | 58.7 | 82% | 0.823 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -71.2 | -43.2 | 180 | -62.8 | -178.8 | 175.4 | -174.8 | -0.3 | 109.6 | E865 R896 | R861-E865 WeakPolarHBondContact CA-OE2 3.38Å; R861-E865 VanDerWaalsContact CB-OE2 3.32Å; R861-E865 WeakPolarHBondContact CB-OE2 3.27Å; R861-E865 PolarHBondContact N-OE2 2.93Å; R861-R896 PolarHBondContact O-NH2 3.29Å |
| 862 | E | 71.4 | Confident | 71.5 | Confident | 136 Ų | 136 | 59.6 Ų | 59.6 | 64% | 0.636 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -116.8 | 160.1 | -178.3 | -58.6 | -173.4 | 177.9 | 0 | 0 | 113.2 | G864 E865 | E862-G864 PolarHBondContact O-N 2.8Å; E862-E865 HydrophobicContact CB-CG 4.25Å; E862-E865 PolarHBondContact N-OE2 3.43Å; E862-E865 PolarHBondContact O-N 3.03Å |
| 863 | L | 64.6 | Low | 70.1 | Confident | 86 Ų | 86 | 60.1 Ų | 60.1 | 45% | 0.45 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27.1 | -179.8 | -111.3 | 86.6 | 0 | 0 | 0 | 114 | R896 | L863-R896 HydrophobicContact CD1-CG 3.53Å; L863-R896 HydrophobicContact CG-CG 4.44Å |
| 864 | G | 65.5 | Low | 68.3 | Low | 58 Ų | 58 | 68 Ų | 68 | 60% | 0.598 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -12 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | E862 N1172 | E862-G864 PolarHBondContact O-N 2.8Å; G864-N1172 PolarHBondContact O-ND2 3.2Å |
| 865 | E | 71.4 | Confident | 66.6 | Low | 79 Ų | 79 | 71.2 Ų | 71.2 | 37% | 0.369 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -78 | 137.6 | -176.5 | -72 | -176.8 | 157.1 | 0 | 0 | 111.4 | P860 R861 E862 | P860-E865 HydrophobicContact CB-CB 3.99Å; R861-E865 WeakPolarHBondContact CA-OE2 3.38Å; R861-E865 VanDerWaalsContact CB-OE2 3.32Å; R861-E865 WeakPolarHBondContact CB-OE2 3.27Å; R861-E865 PolarHBondContact N-OE2 2.93Å; E862-E865 HydrophobicContact CB-CG 4.25Å; E862-E865 PolarHBondContact N-OE2 3.43Å; E862-E865 PolarHBondContact O-N 3.03Å |
| 866 | P | 77.2 | Confident | 65.6 | Low | 27 Ų | 27 | 71.1 Ų | 71.1 | 18% | 0.175 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 152 | 172.4 | 30.8 | -34.1 | 0 | 0 | 0 | 111.1 | Y868 V1170 V1171 N1172 | P866-Y868 HydrophobicContact CG-CE1 4.32Å; P866-Y868 HydrophobicContact CG-CE2 4.13Å; P866-Y868 WeakPolarHBondContact CG-OH 3.28Å; P866-V1170 HydrophobicContact CB-CG1 3.7Å; P866-V1170 HydrophobicContact CG-CG1 3.75Å; P866-V1171 WeakPolarHBondContact CB-O 3.19Å; P866-N1172 HydrophobicContact CB-CB 4.41Å |
| 867 | R | 80.1 | Confident | 64.2 | Low | 7 Ų | 7 | 71.1 Ų | 71.1 | 3% | 0.026 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -83.8 | 135.8 | 166.8 | -65.4 | -172.6 | 173.2 | -106.1 | 8.1 | 109.5 | W857 S858 P860 T893 E897 Y1198 | W857-R867 HydrophobicContact CE3-CB 3.87Å; S858-R867 PolarHBondContact O-NH1 2.65Å; P860-R867 VanDerWaalsContact CD-CZ 3.4Å; P860-R867 HydrophobicContact CG-CG 4.01Å; R867-T893 PolarHBondContact NH2-OG1 3.39Å; R867-E897 IonicContact CZ-OE1 3.09Å; R867-E897 IonicContact NE-OE1 2.93Å; R867-E897 PolarHBondContact NE-OE1 2.81Å; R867-E897 IonicContact NE-OE2 2.82Å; R867-E897 PolarHBondContact NE-OE2 3.07Å; R867-E897 IonicContact NH2-OE1 3.39Å; R867-E897 PolarHBondContact NH2-OE1 3.22Å; R867-Y1198 HydrophobicContact CB-CE1 4.28Å; R867-Y1198 HydrophobicContact CG-CE1 4.36Å |
| 868 | Y | 75 | Confident | 62.6 | Low | 129 Ų | 129 | 76.8 Ų | 76.8 | 51% | 0.506 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -103.2 | 145.4 | 175.9 | -59.6 | -81.7 | 0 | 0 | 0 | 110 | S858 P866 I870 V1170 | S858-Y868 PolarHBondContact N-O 3.34Å; S858-Y868 PolarHBondContact OG-N 3.13Å; P866-Y868 HydrophobicContact CG-CE1 4.32Å; P866-Y868 HydrophobicContact CG-CE2 4.13Å; P866-Y868 WeakPolarHBondContact CG-OH 3.28Å; Y868-I870 PolarHBondContact O-N 3.31Å; Y868-V1170 HydrophobicContact CE1-CG1 4.17Å; Y868-V1170 HydrophobicContact CE1-CG2 4.26Å |
| 869 | L | 71.6 | Confident | 61.1 | Low | 47 Ų | 47 | 76.9 Ų | 76.9 | 25% | 0.246 | 40% | 0.396 | C | S | . | . | B | Isolated β-bridge | trans | -77.5 | 118.6 | 170.8 | -75.6 | 165 | 0 | 0 | 0 | 108.8 | W856 W857 F1202 I1205 L1206 | W856-L869 HydrophobicContact CB-CD2 4.27Å; W856-L869 WeakPolarHBondContact O-CA 3.45Å; W857-L869 HydrophobicContact CD2-CD2 3.84Å; W857-L869 HydrophobicContact CE3-CD2 3.79Å; W857-L869 HydrophobicContact CE3-CG 4.05Å; W857-L869 HydrophobicContact CH2-CD1 4.16Å; W857-L869 HydrophobicContact CH2-CD2 3.66Å; W857-L869 HydrophobicContact CH2-CG 3.84Å; W857-L869 HydrophobicContact CZ2-CD2 3.68Å; W857-L869 HydrophobicContact CZ2-CG 4.37Å; W857-L869 HydrophobicContact CZ3-CD1 4.35Å; W857-L869 HydrophobicContact CZ3-CD2 3.72Å; W857-L869 HydrophobicContact CZ3-CG 3.66Å; L869-F1202 HydrophobicContact CD2-CD2 4.05Å; L869-I1205 HydrophobicContact CD1-CB 3.97Å; L869-I1205 HydrophobicContact CD1-CD1 4.06Å; L869-I1205 HydrophobicContact CD1-CG2 3.54Å; L869-L1206 HydrophobicContact CB-CD1 4.05Å; L869-L1206 HydrophobicContact CD1-CD1 4.14Å; L869-L1206 HydrophobicContact CD1-CG 3.92Å; L869-L1206 HydrophobicContact CD2-CD1 3.76Å; L869-L1206 HydrophobicContact CD2-CG 4.39Å; L869-L1206 HydrophobicContact CG-CD1 4.18Å; L869-L1206 HydrophobicContact CG-CG 4.5Å |
| 870 | I | 64.2 | Low | 59.9 | Low | 49 Ų | 49 | 79.5 Ų | 79.5 | 25% | 0.251 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -97.5 | 116.4 | -178.8 | -48.6 | 178.8 | 0 | 0 | 0 | 108.4 | W856 Y868 L881 | W856-I870 PolarHBondContact O-N 3.28Å; Y868-I870 PolarHBondContact O-N 3.31Å; I870-L881 HydrophobicContact CD1-CB 4.43Å; I870-L881 HydrophobicContact CG2-CB 3.79Å; I870-L881 HydrophobicContact CG2-CD1 3.22Å; I870-L881 HydrophobicContact CG2-CG 4.11Å |
| 871 | I | 55.2 | Low | 58.5 | Low | 84 Ų | 84 | 83.5 Ų | 83.5 | 43% | 0.431 | 43% | 0.433 | S | S | . | . | trans | -111.2 | 115.8 | 168 | -48.6 | 174.2 | 0 | 0 | 0 | 106.4 | P873 L1206 | I871-P873 VanDerWaalsContact O-CD 3.28Å; I871-P873 WeakPolarHBondContact O-CD 2.96Å; I871-L1206 HydrophobicContact CD1-CD2 3.47Å; I871-L1206 VanDerWaalsContact CD1-CD2 3.47Å; I871-L1206 HydrophobicContact CG1-CD1 4.3Å; I871-L1206 HydrophobicContact CG1-CD2 4.02Å | ||
| 872 | D | 47.8 | Very low | 57.7 | Low | 18 Ų | 18 | 74 Ų | 74 | 10% | 0.096 | 40% | 0.399 | C | S | . | . | B | Isolated β-bridge | trans | -73.3 | 115.6 | 167.3 | -168.9 | -42 | 0 | 0 | 0 | 108.5 | E874 Y875 G876 S879 L881 | D872-E874 PolarHBondContact O-N 2.81Å; D872-E874 PolarHBondContact OD1-N 3.01Å; D872-Y875 PolarHBondContact OD1-N 3Å; D872-Y875 VanDerWaalsContact OD1-N 3.08Å; D872-Y875 WeakPolarHBondContact OD2-CD2 3.46Å; D872-G876 WeakPolarHBondContact O-CA 3.23Å; D872-G876 PolarHBondContact O-N 2.88Å; D872-S879 WeakPolarHBondContact CB-OG 3.41Å; D872-S879 VanDerWaalsContact OD2-CB 3.3Å; D872-S879 WeakPolarHBondContact OD2-CB 3.44Å; D872-S879 PolarHBondContact OD2-OG 3.45Å; D872-L881 HydrophobicContact CB-CD1 3.64Å; D872-L881 HydrophobicContact CB-CG 4.32Å |
| 873 | P | 46.8 | Very low | 57 | Low | 126 Ų | 126 | 70 Ų | 70 | 82% | 0.818 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -23.1 | -178.1 | 26.5 | -31.7 | 0 | 0 | 0 | 113.1 | I871 | I871-P873 VanDerWaalsContact O-CD 3.28Å; I871-P873 WeakPolarHBondContact O-CD 2.96Å |
| 874 | E | 40.9 | Very low | 56.7 | Low | 167 Ų | 167 | 72.8 Ų | 72.8 | 78% | 0.78 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -46.8 | -177.8 | -68.4 | -171.8 | 168.4 | 0 | 0 | 112.1 | D872 | D872-E874 PolarHBondContact O-N 2.81Å; D872-E874 PolarHBondContact OD1-N 3.01Å |
| 875 | Y | 44.9 | Very low | 56.6 | Low | 153 Ų | 153 | 75.7 Ų | 75.7 | 60% | 0.6 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -5.5 | -176.6 | -65 | -80.9 | 0 | 0 | 0 | 113.2 | D872 T878 | D872-Y875 PolarHBondContact OD1-N 3Å; D872-Y875 VanDerWaalsContact OD1-N 3.08Å; D872-Y875 WeakPolarHBondContact OD2-CD2 3.46Å; Y875-T878 PolarHBondContact O-N 2.87Å; Y875-T878 PolarHBondContact O-OG1 3.29Å |
| 876 | G | 50.9 | Low | 56.7 | Low | 17 Ų | 17 | 74.5 Ų | 74.5 | 18% | 0.175 | 41% | 0.409 | C | S | . | . | B | Isolated β-bridge | trans | 56.4 | -138.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D872 T878 S879 | D872-G876 WeakPolarHBondContact O-CA 3.23Å; D872-G876 PolarHBondContact O-N 2.88Å; G876-T878 PolarHBondContact O-N 3.03Å; G876-T878 VanDerWaalsContact O-N 3.15Å; G876-S879 PolarHBondContact O-N 3.47Å |
| 877 | P | 44.5 | Very low | 56.4 | Low | 30 Ų | 30 | 77 Ų | 77 | 20% | 0.195 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -10.8 | -175.2 | -7.6 | 17.4 | 0 | 0 | 0 | 115 | W856 S879 L1244 Y1245 | W856-P877 HydrophobicContact CH2-CB 3.75Å; W856-P877 WeakPolarHBondContact CH2-O 3.47Å; W856-P877 HydrophobicContact CZ2-CB 3.77Å; W856-P877 WeakPolarHBondContact CZ2-O 3.31Å; P877-S879 VanDerWaalsContact C-N 3.31Å; P877-L1244 HydrophobicContact CG-CB 3.65Å; P877-L1244 HydrophobicContact CG-CD1 4.25Å; P877-L1244 HydrophobicContact CG-CD2 3.94Å; P877-L1244 HydrophobicContact CG-CG 4.14Å; P877-Y1245 HydrophobicContact CB-CE1 4.4Å; P877-Y1245 HydrophobicContact CG-CE1 4.45Å |
| 878 | T | 43.9 | Very low | 56.1 | Low | 123 Ų | 123 | 80.4 Ų | 80.4 | 76% | 0.755 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -5 | 179.7 | 47.9 | 0 | 0 | 0 | 0 | 112.9 | Y875 G876 T880 | Y875-T878 PolarHBondContact O-N 2.87Å; Y875-T878 PolarHBondContact O-OG1 3.29Å; G876-T878 PolarHBondContact O-N 3.03Å; G876-T878 VanDerWaalsContact O-N 3.15Å; T878-T880 PolarHBondContact O-N 2.96Å |
| 879 | S | 46.7 | Very low | 56.3 | Low | 20 Ų | 20 | 78 Ų | 78 | 14% | 0.14 | 43% | 0.433 | C | S | . | . | trans | -80.3 | 112.7 | 178.2 | -159.6 | 0 | 0 | 0 | 0 | 112.3 | D872 G876 P877 L881 | D872-S879 WeakPolarHBondContact CB-OG 3.41Å; D872-S879 VanDerWaalsContact OD2-CB 3.3Å; D872-S879 WeakPolarHBondContact OD2-CB 3.44Å; D872-S879 PolarHBondContact OD2-OG 3.45Å; G876-S879 PolarHBondContact O-N 3.47Å; P877-S879 VanDerWaalsContact C-N 3.31Å; S879-L881 VanDerWaalsContact C-N 3.33Å; S879-L881 PolarHBondContact O-N 3.37Å | ||
| 880 | T | 50 | Low | 56.7 | Low | 91 Ų | 91 | 76.1 Ų | 76.1 | 56% | 0.558 | 42% | 0.423 | S | S | * | . | trans | -88.5 | 75.4 | 165.1 | 58.2 | 0 | 0 | 0 | 0 | 108.9 | T878 V882 G883 | T878-T880 PolarHBondContact O-N 2.96Å; T880-V882 PolarHBondContact O-N 3.45Å; T880-G883 PolarHBondContact O-N 2.81Å | ||
| 881 | L | 48 | Very low | 57.5 | Low | 89 Ų | 89 | 74.9 Ų | 74.9 | 47% | 0.466 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -3.8 | 171.7 | -80.8 | 165.4 | 0 | 0 | 0 | 113 | I870 D872 S879 G883 | I870-L881 HydrophobicContact CD1-CB 4.43Å; I870-L881 HydrophobicContact CG2-CB 3.79Å; I870-L881 HydrophobicContact CG2-CD1 3.22Å; I870-L881 HydrophobicContact CG2-CG 4.11Å; D872-L881 HydrophobicContact CB-CD1 3.64Å; D872-L881 HydrophobicContact CB-CG 4.32Å; S879-L881 VanDerWaalsContact C-N 3.33Å; S879-L881 PolarHBondContact O-N 3.37Å; L881-G883 PolarHBondContact O-N 3.12Å; L881-G883 VanDerWaalsContact O-N 3.14Å |
| 882 | V | 51.5 | Low | 58.8 | Low | 17 Ų | 17 | 78 Ų | 78 | 10% | 0.103 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -14 | 165.4 | -160.3 | 0 | 0 | 0 | 0 | 112.6 | A855 V859 T880 W885 L890 | A855-V882 WeakPolarHBondContact O-CG2 3.4Å; V859-V882 HydrophobicContact CG2-CG1 4.33Å; T880-V882 PolarHBondContact O-N 3.45Å; V882-W885 HydrophobicContact CG1-CB 4.18Å; V882-L890 HydrophobicContact CG1-CD1 3.68Å; V882-L890 HydrophobicContact CG1-CD2 3.38Å; V882-L890 HydrophobicContact CG1-CG 4.07Å |
| 883 | G | 55.8 | Low | 60.5 | Low | 54 Ų | 54 | 77.5 Ų | 77.5 | 56% | 0.557 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | -137.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T880 L881 W885 | T880-G883 PolarHBondContact O-N 2.81Å; L881-G883 PolarHBondContact O-N 3.12Å; L881-G883 VanDerWaalsContact O-N 3.14Å; G883-W885 VanDerWaalsContact C-N 3.25Å; G883-W885 PolarHBondContact O-N 3.33Å |
| 884 | T | 58.3 | Low | 62.4 | Low | 144 Ų | 144 | 71.6 Ų | 71.6 | 88% | 0.883 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | 6.7 | -174.8 | 58 | 0 | 0 | 0 | 0 | 114.8 | ||
| 885 | W | 63.2 | Low | 64.4 | Low | 118 Ų | 118 | 65.9 Ų | 65.9 | 45% | 0.447 | 36% | 0.364 | S | S | . | . | trans | -74.9 | 129 | -174.4 | -69.1 | 65 | 0 | 0 | 0 | 111 | V859 V882 G883 E889 L890 T893 | V859-W885 HydrophobicContact CG1-CE3 4.36Å; V859-W885 HydrophobicContact CG1-CH2 3.8Å; V859-W885 HydrophobicContact CG1-CZ2 4.07Å; V859-W885 HydrophobicContact CG1-CZ3 3.95Å; V859-W885 HydrophobicContact CG2-CD2 4.39Å; V882-W885 HydrophobicContact CG1-CB 4.18Å; G883-W885 VanDerWaalsContact C-N 3.25Å; G883-W885 PolarHBondContact O-N 3.33Å; W885-E889 WeakPolarHBondContact CA-OE2 3.3Å; W885-E889 HydrophobicContact CE3-CB 3.61Å; W885-E889 HydrophobicContact CZ3-CB 4.15Å; W885-L890 HydrophobicContact CB-CD2 4.18Å; W885-L890 HydrophobicContact CB-CG 4.28Å; W885-T893 HydrophobicContact CZ3-CG2 3.9Å | ||
| 886 | S | 73.4 | Confident | 66.2 | Low | 54 Ų | 54 | 63.3 Ų | 63.3 | 38% | 0.378 | 35% | 0.354 | S | S | . | . | trans | -72.1 | 153.1 | 172.6 | 65.8 | 0 | 0 | 0 | 0 | 111.4 | N888 E889 L890 | S886-N888 PolarHBondContact O-N 3.07Å; S886-E889 PolarHBondContact N-OE2 3.15Å; S886-E889 PolarHBondContact O-N 2.67Å; S886-E889 VanDerWaalsContact OG-CG 3.29Å; S886-E889 WeakPolarHBondContact OG-CG 3.22Å; S886-E889 PolarHBondContact OG-N 2.99Å; S886-E889 PolarHBondContact OG-OE2 2.8Å; S886-L890 PolarHBondContact O-N 3.36Å; S886-L890 VanDerWaalsContact O-N 3.1Å | ||
| 887 | L | 71.1 | Confident | 67.9 | Low | 81 Ų | 81 | 62.8 Ų | 62.8 | 42% | 0.424 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -52.3 | -34.1 | 174.9 | -166 | 73.9 | 0 | 0 | 0 | 112.3 | L850 Y854 L890 L891 | L850-L887 HydrophobicContact CD2-CD1 3.37Å; L850-L887 HydrophobicContact CD2-CG 4.18Å; Y854-L887 HydrophobicContact CD2-CD1 4.48Å; Y854-L887 HydrophobicContact CE1-CD1 4.21Å; Y854-L887 HydrophobicContact CE2-CD1 3.84Å; L887-L890 PolarHBondContact O-N 3.04Å; L887-L891 WeakPolarHBondContact O-CB 3.49Å; L887-L891 PolarHBondContact O-N 2.94Å |
| 888 | N | 74.5 | Confident | 69.8 | Low | 77 Ų | 77 | 62.6 Ų | 62.6 | 41% | 0.412 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.8 | -37.2 | 176.3 | -78.1 | -36.1 | 0 | 0 | 0 | 113 | S886 K892 | S886-N888 PolarHBondContact O-N 3.07Å; N888-K892 WeakPolarHBondContact O-CG 3.21Å; N888-K892 PolarHBondContact O-N 3.4Å; N888-K892 VanDerWaalsContact O-N 3.11Å |
| 889 | E | 78.9 | Confident | 71.7 | Confident | 80 Ų | 80 | 60.9 Ų | 60.9 | 37% | 0.374 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.2 | -40.1 | 176.1 | -70.3 | 165.4 | 141.7 | 0 | 0 | 110.9 | W885 S886 L891 K892 T893 | W885-E889 WeakPolarHBondContact CA-OE2 3.3Å; W885-E889 HydrophobicContact CE3-CB 3.61Å; W885-E889 HydrophobicContact CZ3-CB 4.15Å; S886-E889 PolarHBondContact N-OE2 3.15Å; S886-E889 PolarHBondContact O-N 2.67Å; S886-E889 VanDerWaalsContact OG-CG 3.29Å; S886-E889 WeakPolarHBondContact OG-CG 3.22Å; S886-E889 PolarHBondContact OG-N 2.99Å; S886-E889 PolarHBondContact OG-OE2 2.8Å; E889-L891 PolarHBondContact O-N 3.25Å; E889-K892 WeakPolarHBondContact O-CB 3.46Å; E889-K892 PolarHBondContact O-N 2.83Å; E889-T893 WeakPolarHBondContact O-CG2 3.44Å; E889-T893 PolarHBondContact O-N 3.49Å; E889-T893 VanDerWaalsContact O-N 3.1Å |
| 890 | L | 80.7 | Confident | 73.4 | Confident | 6 Ų | 6 | 61.9 Ų | 61.9 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 174 | -63.1 | 171.1 | 0 | 0 | 0 | 111.4 | L850 Y854 V859 V882 W885 S886 L887 K892 T893 F894 | L850-L890 HydrophobicContact CD1-CB 4.1Å; L850-L890 HydrophobicContact CD2-CB 4.47Å; Y854-L890 HydrophobicContact CD2-CD1 3.76Å; Y854-L890 HydrophobicContact CE2-CD1 3.99Å; V859-L890 HydrophobicContact CG2-CD2 3.6Å; V882-L890 HydrophobicContact CG1-CD1 3.68Å; V882-L890 HydrophobicContact CG1-CD2 3.38Å; V882-L890 HydrophobicContact CG1-CG 4.07Å; W885-L890 HydrophobicContact CB-CD2 4.18Å; W885-L890 HydrophobicContact CB-CG 4.28Å; S886-L890 PolarHBondContact O-N 3.36Å; S886-L890 VanDerWaalsContact O-N 3.1Å; L887-L890 PolarHBondContact O-N 3.04Å; L890-K892 VanDerWaalsContact C-N 3.28Å; L890-K892 PolarHBondContact O-N 3.32Å; L890-T893 PolarHBondContact O-N 3.5Å; L890-T893 PolarHBondContact O-OG1 3.15Å; L890-F894 WeakPolarHBondContact O-CD2 3.24Å; L890-F894 PolarHBondContact O-N 3.4Å |
| 891 | L | 81.4 | Confident | 75 | Confident | 23 Ų | 23 | 57.7 Ų | 57.7 | 12% | 0.12 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.3 | -42.9 | 174.7 | -175.4 | 74.9 | 0 | 0 | 0 | 112.1 | K846 L849 L850 L887 E889 T893 F894 S895 M1191 | K846-L891 HydrophobicContact CB-CD2 4.09Å; K846-L891 HydrophobicContact CD-CD2 4.07Å; K846-L891 HydrophobicContact CG-CD2 3.97Å; L849-L891 HydrophobicContact CB-CD1 3.66Å; L850-L891 HydrophobicContact CD1-CB 4.1Å; L850-L891 HydrophobicContact CD1-CD1 4.21Å; L887-L891 WeakPolarHBondContact O-CB 3.49Å; L887-L891 PolarHBondContact O-N 2.94Å; E889-L891 PolarHBondContact O-N 3.25Å; L891-T893 VanDerWaalsContact C-N 3.27Å; L891-T893 PolarHBondContact O-N 2.95Å; L891-F894 PolarHBondContact O-N 2.75Å; L891-S895 VanDerWaalsContact O-CB 3.26Å; L891-S895 WeakPolarHBondContact O-CB 3.45Å; L891-S895 PolarHBondContact O-N 3.5Å; L891-M1191 HydrophobicContact CD1-CE 4.28Å |
| 892 | K | 82 | Confident | 76.4 | Confident | 149 Ų | 149 | 55 Ų | 55 | 65% | 0.648 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -60.7 | -36.2 | 176.3 | -73.9 | 173.2 | -177.3 | 178.5 | 0 | 111.9 | N888 E889 L890 R896 | N888-K892 WeakPolarHBondContact O-CG 3.21Å; N888-K892 PolarHBondContact O-N 3.4Å; N888-K892 VanDerWaalsContact O-N 3.11Å; E889-K892 WeakPolarHBondContact O-CB 3.46Å; E889-K892 PolarHBondContact O-N 2.83Å; L890-K892 VanDerWaalsContact C-N 3.28Å; L890-K892 PolarHBondContact O-N 3.32Å; K892-R896 VanDerWaalsContact O-CB 3.26Å; K892-R896 WeakPolarHBondContact O-CB 3.38Å; K892-R896 PolarHBondContact O-N 3.06Å |
| 893 | T | 83.7 | Confident | 77.4 | Confident | 9 Ų | 9 | 58.3 Ų | 58.3 | 6% | 0.055 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.5 | -47.5 | 179.2 | 67.7 | 0 | 0 | 0 | 0 | 112 | V859 R867 W885 E889 L890 L891 S895 R896 E897 | V859-T893 HydrophobicContact CG1-CG2 3.77Å; R867-T893 PolarHBondContact NH2-OG1 3.39Å; W885-T893 HydrophobicContact CZ3-CG2 3.9Å; E889-T893 WeakPolarHBondContact O-CG2 3.44Å; E889-T893 PolarHBondContact O-N 3.49Å; E889-T893 VanDerWaalsContact O-N 3.1Å; L890-T893 PolarHBondContact O-N 3.5Å; L890-T893 PolarHBondContact O-OG1 3.15Å; L891-T893 VanDerWaalsContact C-N 3.27Å; L891-T893 PolarHBondContact O-N 2.95Å; T893-S895 VanDerWaalsContact C-N 3.34Å; T893-S895 PolarHBondContact O-N 3.05Å; T893-R896 PolarHBondContact O-N 2.84Å; T893-E897 PolarHBondContact O-N 3.29Å |
| 894 | F | 85.3 | Confident | 78.3 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 175 | -77.6 | -79.7 | 0 | 0 | 0 | 111.9 | L850 P851 W857 L890 L891 R896 E897 Y898 M1191 Y1198 | L850-F894 HydrophobicContact CD1-CD2 3.63Å; L850-F894 HydrophobicContact CD1-CE2 4.12Å; P851-F894 HydrophobicContact CG-CD1 4.27Å; P851-F894 HydrophobicContact CG-CD2 4.49Å; P851-F894 HydrophobicContact CG-CE1 3.65Å; P851-F894 HydrophobicContact CG-CE2 3.91Å; P851-F894 HydrophobicContact CG-CZ 3.44Å; P851-F894 VanDerWaalsContact CG-CZ 3.44Å; W857-F894 HydrophobicContact CB-CZ 4.48Å; L890-F894 WeakPolarHBondContact O-CD2 3.24Å; L890-F894 PolarHBondContact O-N 3.4Å; L891-F894 PolarHBondContact O-N 2.75Å; F894-R896 VanDerWaalsContact C-N 3.35Å; F894-R896 PolarHBondContact O-N 3.38Å; F894-E897 PolarHBondContact O-N 3.34Å; F894-Y898 WeakPolarHBondContact O-CB 3.31Å; F894-Y898 PolarHBondContact O-N 2.86Å; F894-M1191 HydrophobicContact CB-CE 3.98Å; F894-Y1198 HydrophobicContact CD1-CD2 4.2Å; F894-Y1198 HydrophobicContact CD1-CE2 4.02Å; F894-Y1198 AromaticContact CE1-CD2 3.75Å; F894-Y1198 HydrophobicContact CE1-CD2 3.75Å; F894-Y1198 AromaticContact CE1-CE2 3.76Å; F894-Y1198 HydrophobicContact CE1-CE2 3.76Å; F894-Y1198 HydrophobicContact CE1-CG 4.12Å |
| 895 | S | 83.9 | Confident | 79.3 | Confident | 47 Ų | 47 | 54.3 Ų | 54.3 | 33% | 0.329 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 175.7 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | L891 T893 Y898 S899 M1191 | L891-S895 VanDerWaalsContact O-CB 3.26Å; L891-S895 WeakPolarHBondContact O-CB 3.45Å; L891-S895 PolarHBondContact O-N 3.5Å; T893-S895 VanDerWaalsContact C-N 3.34Å; T893-S895 PolarHBondContact O-N 3.05Å; S895-Y898 PolarHBondContact O-N 3.37Å; S895-S899 WeakPolarHBondContact O-CB 3.2Å; S895-S899 PolarHBondContact O-N 2.88Å; S895-S899 PolarHBondContact O-OG 3.48Å; S895-M1191 VanDerWaalsContact CA-CE 3.47Å |
| 896 | R | 83.6 | Confident | 80.1 | Confident | 100 Ų | 100 | 53.8 Ų | 53.8 | 38% | 0.377 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 176.9 | -178.7 | 179.2 | 72.6 | 172 | 4.9 | 112.4 | P860 R861 L863 K892 T893 F894 S899 S900 | P860-R896 PolarHBondContact O-NH2 3.4Å; R861-R896 PolarHBondContact O-NH2 3.29Å; L863-R896 HydrophobicContact CD1-CG 3.53Å; L863-R896 HydrophobicContact CG-CG 4.44Å; K892-R896 VanDerWaalsContact O-CB 3.26Å; K892-R896 WeakPolarHBondContact O-CB 3.38Å; K892-R896 PolarHBondContact O-N 3.06Å; T893-R896 PolarHBondContact O-N 2.84Å; F894-R896 VanDerWaalsContact C-N 3.35Å; F894-R896 PolarHBondContact O-N 3.38Å; R896-S899 PolarHBondContact O-N 2.86Å; R896-S900 PolarHBondContact O-N 2.86Å; R896-S900 VanDerWaalsContact O-N 3.15Å |
| 897 | E | 85.3 | Confident | 80.8 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 3% | 0.028 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 174.4 | -82.6 | 166.3 | -125.9 | 0 | 0 | 111.9 | P860 R867 T893 F894 S899 S900 A1174 F1194 Y1198 | P860-E897 WeakPolarHBondContact CG-OE1 3.28Å; R867-E897 IonicContact CZ-OE1 3.09Å; R867-E897 IonicContact NE-OE1 2.93Å; R867-E897 PolarHBondContact NE-OE1 2.81Å; R867-E897 IonicContact NE-OE2 2.82Å; R867-E897 PolarHBondContact NE-OE2 3.07Å; R867-E897 IonicContact NH2-OE1 3.39Å; R867-E897 PolarHBondContact NH2-OE1 3.22Å; T893-E897 PolarHBondContact O-N 3.29Å; F894-E897 PolarHBondContact O-N 3.34Å; E897-S899 PolarHBondContact O-N 2.85Å; E897-S900 VanDerWaalsContact O-CB 3.27Å; E897-S900 WeakPolarHBondContact O-CB 3.18Å; E897-S900 PolarHBondContact O-N 3.18Å; E897-S900 VanDerWaalsContact O-N 3.13Å; E897-S900 PolarHBondContact O-OG 2.9Å; E897-A1174 HydrophobicContact CB-CB 4.38Å; E897-F1194 HydrophobicContact CB-CE1 4.12Å; E897-F1194 HydrophobicContact CB-CZ 4.04Å; E897-Y1198 PolarHBondContact OE2-OH 2.83Å |
| 898 | Y | 84.8 | Confident | 81.8 | Confident | 25 Ų | 25 | 55 Ų | 55 | 10% | 0.098 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.3 | -45 | 177.6 | 177.2 | -105.9 | 0 | 0 | 0 | 111.7 | F894 S895 S900 I901 H1189 S1190 M1191 F1194 | F894-Y898 WeakPolarHBondContact O-CB 3.31Å; F894-Y898 PolarHBondContact O-N 2.86Å; S895-Y898 PolarHBondContact O-N 3.37Å; Y898-S900 PolarHBondContact O-N 3.27Å; Y898-S900 VanDerWaalsContact O-N 3.13Å; Y898-I901 HydrophobicContact CD2-CD1 4.01Å; Y898-I901 HydrophobicContact CE2-CD1 4.48Å; Y898-I901 WeakPolarHBondContact O-CB 3.24Å; Y898-I901 PolarHBondContact O-N 3.2Å; Y898-H1189 PolarHBondContact OH-O 3.25Å; Y898-S1190 PolarHBondContact OH-N 2.77Å; Y898-M1191 HydrophobicContact CD1-CB 3.88Å; Y898-M1191 HydrophobicContact CD1-CG 4.23Å; Y898-M1191 HydrophobicContact CD2-CB 4.49Å; Y898-M1191 HydrophobicContact CE1-CB 4.06Å; Y898-M1191 HydrophobicContact CG-CB 4.11Å; Y898-M1191 HydrophobicContact CG-CG 4.19Å; Y898-F1194 HydrophobicContact CD2-CB 3.64Å; Y898-F1194 HydrophobicContact CD2-CD1 4.21Å; Y898-F1194 HydrophobicContact CD2-CD2 4.26Å; Y898-F1194 AromaticContact CD2-CG 3.79Å; Y898-F1194 HydrophobicContact CD2-CG 3.79Å; Y898-F1194 HydrophobicContact CE2-CB 4.18Å |
| 899 | S | 83.6 | Confident | 82.6 | Confident | 88 Ų | 88 | 52.3 Ų | 52.3 | 62% | 0.615 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.2 | -16.4 | 176.2 | -63.7 | 0 | 0 | 0 | 0 | 113.7 | S895 R896 E897 I901 | S895-S899 WeakPolarHBondContact O-CB 3.2Å; S895-S899 PolarHBondContact O-N 2.88Å; S895-S899 PolarHBondContact O-OG 3.48Å; R896-S899 PolarHBondContact O-N 2.86Å; E897-S899 PolarHBondContact O-N 2.85Å; S899-I901 VanDerWaalsContact C-N 3.32Å |
| 900 | S | 82.5 | Confident | 83.2 | Confident | 41 Ų | 41 | 51.5 Ų | 51.5 | 29% | 0.287 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -75.3 | -22.3 | 172.9 | 82.8 | 0 | 0 | 0 | 0 | 113.5 | R896 E897 Y898 P902 | R896-S900 PolarHBondContact O-N 2.86Å; R896-S900 VanDerWaalsContact O-N 3.15Å; E897-S900 VanDerWaalsContact O-CB 3.27Å; E897-S900 WeakPolarHBondContact O-CB 3.18Å; E897-S900 PolarHBondContact O-N 3.18Å; E897-S900 VanDerWaalsContact O-N 3.13Å; E897-S900 PolarHBondContact O-OG 2.9Å; Y898-S900 PolarHBondContact O-N 3.27Å; Y898-S900 VanDerWaalsContact O-N 3.13Å; S900-P902 WeakPolarHBondContact O-CD 3.41Å |
| 901 | I | 84 | Confident | 83.8 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -70.2 | 122.2 | 178.3 | -59.5 | 168.9 | 0 | 0 | 0 | 107.1 | Y898 S899 L903 C1177 F1194 | Y898-I901 HydrophobicContact CD2-CD1 4.01Å; Y898-I901 HydrophobicContact CE2-CD1 4.48Å; Y898-I901 WeakPolarHBondContact O-CB 3.24Å; Y898-I901 PolarHBondContact O-N 3.2Å; S899-I901 VanDerWaalsContact C-N 3.32Å; I901-L903 PolarHBondContact O-N 2.81Å; I901-C1177 HydrophobicContact CD1-CB 3.66Å; I901-C1177 HydrophobicContact CG1-CB 4.23Å; I901-F1194 HydrophobicContact CD1-CD2 3.62Å; I901-F1194 HydrophobicContact CD1-CE2 3.65Å |
| 902 | P | 76.3 | Confident | 84.2 | Confident | 33 Ų | 33 | 52.3 Ų | 52.3 | 21% | 0.214 | 29% | 0.288 | C | S | . | . | trans | -78.6 | 106.4 | -174.1 | 32.8 | -35.8 | 0 | 0 | 0 | 109.9 | S900 S1178 | S900-P902 WeakPolarHBondContact O-CD 3.41Å; P902-S1178 WeakPolarHBondContact CD-OG 3.32Å | ||
| 903 | L | 72.9 | Confident | 84.6 | Confident | 86 Ų | 86 | 49.3 Ų | 49.3 | 45% | 0.45 | 28% | 0.279 | S | S | . | . | trans | -81.3 | 158.4 | 175.8 | -62 | 172.5 | 0 | 0 | 0 | 111.3 | I901 | I901-L903 PolarHBondContact O-N 2.81Š| ||
| 904 | G | 75.5 | Confident | 85 | Confident | 28 Ų | 28 | 52.6 Ų | 52.6 | 29% | 0.289 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 97.5 | 178.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S1185 N1186 | G904-S1185 WeakPolarHBondContact O-CB 3.17Å; G904-N1186 PolarHBondContact N-OD1 2.8Å |
| 905 | V | 78.9 | Confident | 85.1 | Confident | 86 Ų | 86 | 61.8 Ų | 61.8 | 52% | 0.521 | 34% | 0.336 | S | S | . | . | trans | -84.5 | 115.3 | -177.5 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | F907 Q909 Y929 | V905-F907 VanDerWaalsContact CG1-O 3.22Å; V905-F907 WeakPolarHBondContact CG1-O 3.1Å; V905-Q909 HydrophobicContact CG1-CG 4.02Å; V905-Y929 HydrophobicContact CG1-CE1 4.05Å | ||
| 906 | K | 79.9 | Confident | 85.3 | Confident | 107 Ų | 107 | 65.7 Ų | 65.7 | 47% | 0.465 | 35% | 0.351 | S | S | . | . | trans | -101.5 | -28.1 | 179.7 | -70.1 | -167.7 | 173.7 | -166.8 | 0 | 114.7 | Y929 | K906-Y929 PolarHBondContact N-OH 3.25Å; K906-Y929 VanDerWaalsContact N-OH 3.16Å | ||
| 907 | F | 88.8 | Confident | 85.7 | Confident | 89 Ų | 89 | 61.1 Ų | 61.1 | 39% | 0.39 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -121.6 | 162.6 | -177.3 | -55.8 | -74.5 | 0 | 0 | 0 | 109.5 | V905 Y929 H931 K1182 | V905-F907 VanDerWaalsContact CG1-O 3.22Å; V905-F907 WeakPolarHBondContact CG1-O 3.1Å; F907-Y929 HydrophobicContact CB-CD1 3.66Å; F907-Y929 HydrophobicContact CB-CD2 4.34Å; F907-Y929 HydrophobicContact CB-CE1 3.92Å; F907-Y929 HydrophobicContact CB-CG 3.87Å; F907-Y929 AromaticContact CD2-CD2 3.97Å; F907-Y929 HydrophobicContact CD2-CD2 3.97Å; F907-Y929 HydrophobicContact CD2-CE1 4.35Å; F907-Y929 AromaticContact CD2-CE2 3.74Å; F907-Y929 HydrophobicContact CD2-CE2 3.74Å; F907-Y929 HydrophobicContact CD2-CG 4.37Å; F907-Y929 AromaticContact CD2-CZ 3.91Å; F907-Y929 WeakPolarHBondContact O-CD1 3.35Å; F907-Y929 WeakPolarHBondContact O-CE1 3.42Å; F907-H931 AromaticContact CD2-CE1 3.93Å; F907-K1182 HydrophobicContact CE2-CB 4.05Å; F907-K1182 HydrophobicContact CE2-CG 4.44Å |
| 908 | S | 91 | Very high | 86 | Confident | 70 Ų | 70 | 63.8 Ų | 63.8 | 49% | 0.49 | 35% | 0.348 | S | S | . | . | trans | -59.9 | 139.6 | -177.6 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | S910 Y929 D930 | S908-S910 PolarHBondContact OG-N 3.43Å; S908-S910 PolarHBondContact OG-OG 2.72Å; S908-Y929 WeakPolarHBondContact O-CA 3.17Å; S908-D930 VanDerWaalsContact CB-OD2 3.23Å; S908-D930 WeakPolarHBondContact CB-OD2 3.16Å; S908-D930 PolarHBondContact O-N 2.8Å; S908-D930 PolarHBondContact OG-OD2 3.01Å | ||
| 909 | Q | 91.8 | Very high | 86.2 | Confident | 22 Ų | 22 | 66.6 Ų | 66.6 | 10% | 0.103 | 37% | 0.371 | C | S | . | . | trans | -126.7 | 31.2 | 172.8 | -61.2 | 176.5 | -36.3 | 0 | 0 | 109.7 | V905 I911 G912 N913 L927 P928 Y929 S1185 | V905-Q909 HydrophobicContact CG1-CG 4.02Å; Q909-I911 VanDerWaalsContact C-N 3.32Å; Q909-I911 PolarHBondContact O-N 2.86Å; Q909-G912 PolarHBondContact O-N 2.83Å; Q909-N913 PolarHBondContact O-N 3.06Å; Q909-N913 PolarHBondContact O-ND2 3.4Å; Q909-L927 HydrophobicContact CB-CB 4.2Å; Q909-L927 HydrophobicContact CB-CD1 4.45Å; Q909-L927 HydrophobicContact CG-CB 4.33Å; Q909-L927 PolarHBondContact NE2-O 3.29Å; Q909-P928 WeakPolarHBondContact CG-O 2.82Å; Q909-Y929 HydrophobicContact CG-CD1 3.71Å; Q909-Y929 HydrophobicContact CG-CE1 4.22Å; Q909-S1185 PolarHBondContact NE2-OG 3.02Å | ||
| 910 | S | 91.3 | Very high | 86.6 | Confident | 62 Ų | 62 | 63.4 Ų | 63.4 | 43% | 0.434 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -36 | -170.7 | 64.1 | 0 | 0 | 0 | 0 | 112.2 | S908 N913 L914 D930 | S908-S910 PolarHBondContact OG-N 3.43Å; S908-S910 PolarHBondContact OG-OG 2.72Å; S910-N913 PolarHBondContact O-N 2.85Å; S910-L914 PolarHBondContact O-N 3.1Å; S910-D930 WeakPolarHBondContact CB-OD2 3.39Å; S910-D930 PolarHBondContact N-OD1 3.16Å; S910-D930 PolarHBondContact N-OD2 3.23Å; S910-D930 PolarHBondContact OG-OD2 3.42Å |
| 911 | I | 92.8 | Very high | 87 | Confident | 46 Ų | 46 | 62.1 Ų | 62.1 | 24% | 0.236 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -41.6 | -178 | -57.5 | -60.7 | 0 | 0 | 0 | 111.1 | Q909 N913 L914 N917 D930 Y947 | Q909-I911 VanDerWaalsContact C-N 3.32Å; Q909-I911 PolarHBondContact O-N 2.86Å; I911-N913 PolarHBondContact O-N 3.47Å; I911-L914 HydrophobicContact CD1-CD1 4.22Å; I911-L914 HydrophobicContact CG2-CD1 4.37Å; I911-L914 WeakPolarHBondContact O-CB 3.36Å; I911-L914 WeakPolarHBondContact O-CG 3.34Å; I911-L914 PolarHBondContact O-N 2.77Å; I911-N917 PolarHBondContact O-ND2 3.13Å; I911-D930 WeakPolarHBondContact CB-OD1 3.45Å; I911-D930 HydrophobicContact CG1-CB 4.45Å; I911-D930 WeakPolarHBondContact CG1-OD1 3.25Å; I911-D930 PolarHBondContact N-OD1 3.26Å; I911-Y947 HydrophobicContact CG2-CD2 3.84Å; I911-Y947 HydrophobicContact CG2-CG 4.47Å |
| 912 | G | 90.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -21.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q909 N921 Y947 | Q909-G912 PolarHBondContact O-N 2.83Å; G912-N921 PolarHBondContact O-ND2 2.97Å; G912-Y947 VanDerWaalsContact CA-CE2 3.49Å; G912-Y947 WeakPolarHBondContact CA-OH 3.29Å |
| 913 | N | 91.9 | Very high | 87.4 | Confident | 87 Ų | 87 | 65.1 Ų | 65.1 | 47% | 0.465 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -2.4 | 177.7 | -77.1 | -61.6 | 0 | 0 | 0 | 114 | Q909 S910 I911 L927 | Q909-N913 PolarHBondContact O-N 3.06Å; Q909-N913 PolarHBondContact O-ND2 3.4Å; S910-N913 PolarHBondContact O-N 2.85Å; I911-N913 PolarHBondContact O-N 3.47Å; N913-L927 VanDerWaalsContact ND2-CD1 3.34Å; N913-L927 WeakPolarHBondContact ND2-CD1 3.42Å; N913-L927 WeakPolarHBondContact OD1-CD1 3.36Å |
| 914 | L | 91 | Very high | 87.7 | Confident | 78 Ų | 78 | 67.5 Ų | 67.5 | 41% | 0.408 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -62.5 | 138.3 | 176.2 | -68.2 | 174.4 | 0 | 0 | 0 | 110.4 | S910 I911 M916 N917 L918 | S910-L914 PolarHBondContact O-N 3.1Å; I911-L914 HydrophobicContact CD1-CD1 4.22Å; I911-L914 HydrophobicContact CG2-CD1 4.37Å; I911-L914 WeakPolarHBondContact O-CB 3.36Å; I911-L914 WeakPolarHBondContact O-CG 3.34Å; I911-L914 PolarHBondContact O-N 2.77Å; L914-M916 HydrophobicContact CB-CG 4.2Å; L914-M916 PolarHBondContact O-N 3.16Å; L914-M916 VanDerWaalsContact O-N 3.08Å; L914-N917 HydrophobicContact CB-CB 4.42Å; L914-N917 WeakPolarHBondContact O-CA 3.39Å; L914-N917 PolarHBondContact O-N 3.25Å; L914-L918 PolarHBondContact O-N 3.02Å |
| 915 | K | 87.5 | Confident | 87.9 | Confident | 193 Ų | 193 | 70.1 Ų | 70.1 | 84% | 0.839 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -38.1 | -176.8 | -170.9 | 178.5 | 178 | -177.4 | 0 | 113.3 | N917 | K915-N917 VanDerWaalsContact C-N 3.34Š|
| 916 | M | 88.6 | Confident | 88.2 | Confident | 130 Ų | 130 | 66.3 Ų | 66.3 | 64% | 0.64 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -21.3 | 177.3 | 57.6 | -179.6 | 47.1 | 0 | 0 | 114.7 | L914 T945 | L914-M916 HydrophobicContact CB-CG 4.2Å; L914-M916 PolarHBondContact O-N 3.16Å; L914-M916 VanDerWaalsContact O-N 3.08Å; M916-T945 HydrophobicContact CB-CG2 4.44Å; M916-T945 HydrophobicContact CG-CG2 3.92Å; M916-T945 HydrophobicContact SD-CG2 3.46Å; M916-T945 WeakPolarHBondContact SD-CG2 3.37Å |
| 917 | N | 92.6 | Very high | 88.7 | Confident | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.016 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -8.8 | -178.7 | -69.7 | -21.6 | 0 | 0 | 0 | 113.1 | I911 L914 K915 S919 K920 N921 T945 Y947 | I911-N917 PolarHBondContact O-ND2 3.13Å; L914-N917 HydrophobicContact CB-CB 4.42Å; L914-N917 WeakPolarHBondContact O-CA 3.39Å; L914-N917 PolarHBondContact O-N 3.25Å; K915-N917 VanDerWaalsContact C-N 3.34Å; N917-S919 VanDerWaalsContact C-N 3.29Å; N917-S919 PolarHBondContact O-N 3.49Å; N917-K920 WeakPolarHBondContact O-CB 3.2Å; N917-K920 PolarHBondContact O-N 3.06Å; N917-N921 PolarHBondContact O-ND2 2.94Å; N917-T945 WeakPolarHBondContact OD1-CB 3.16Å; N917-T945 WeakPolarHBondContact OD1-CG2 3.37Å; N917-T945 PolarHBondContact OD1-OG1 3.25Å; N917-Y947 HydrophobicContact CB-CD1 3.61Å; N917-Y947 HydrophobicContact CB-CE1 4.01Å; N917-Y947 HydrophobicContact CB-CG 4.07Å; N917-Y947 WeakPolarHBondContact ND2-CB 3.49Å |
| 918 | L | 89.8 | Confident | 89 | Confident | 62 Ų | 62 | 57.2 Ų | 57.2 | 33% | 0.325 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -60.1 | -37.3 | -176.8 | -69.1 | 177.6 | 0 | 0 | 0 | 112.7 | L914 K920 N921 | L914-L918 PolarHBondContact O-N 3.02Å; L918-K920 PolarHBondContact O-N 3.06Å; L918-N921 PolarHBondContact O-N 3.45Å |
| 919 | S | 89.4 | Confident | 89.2 | Confident | 85 Ų | 85 | 53.9 Ų | 53.9 | 59% | 0.594 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -66.3 | -21.6 | 176.4 | 51 | 0 | 0 | 0 | 0 | 113.3 | N917 N921 F969 | N917-S919 VanDerWaalsContact C-N 3.29Å; N917-S919 PolarHBondContact O-N 3.49Å; S919-N921 VanDerWaalsContact C-N 3.29Å; S919-N921 PolarHBondContact O-N 3.14Å; S919-F969 WeakPolarHBondContact O-CZ 3.01Å |
| 920 | K | 92.1 | Very high | 89.3 | Confident | 21 Ų | 21 | 54.3 Ų | 54.3 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -84.9 | 3 | 177.6 | -58.7 | -165.7 | 176 | -157.8 | 0 | 113 | N917 L918 E944 Y947 Q966 D976 | N917-K920 WeakPolarHBondContact O-CB 3.2Å; N917-K920 PolarHBondContact O-N 3.06Å; L918-K920 PolarHBondContact O-N 3.06Å; K920-E944 IonicContact NZ-OE2 2.67Å; K920-E944 PolarHBondContact NZ-OE2 3.01Å; K920-Y947 HydrophobicContact CB-CD1 4.04Å; K920-Y947 HydrophobicContact CB-CE1 4.1Å; K920-Y947 HydrophobicContact CD-CD1 4.28Å; K920-Y947 WeakPolarHBondContact CD-O 3.43Å; K920-Q966 PolarHBondContact O-NE2 3.32Å; K920-D976 WeakPolarHBondContact CE-OD2 3.32Å; K920-D976 IonicContact NZ-OD1 2.79Å; K920-D976 IonicContact NZ-OD2 3.73Å; K920-D976 PolarHBondContact NZ-OD2 2.88Å |
| 921 | N | 91.7 | Very high | 89.5 | Confident | 14 Ų | 14 | 56.9 Ų | 56.9 | 8% | 0.075 | 30% | 0.296 | C | S | . | . | trans | -108.4 | 122.5 | -179 | -64.1 | -42.1 | 0 | 0 | 0 | 111.5 | G912 N917 L918 S919 S923 L927 Y947 | G912-N921 PolarHBondContact O-ND2 2.97Å; N917-N921 PolarHBondContact O-ND2 2.94Å; L918-N921 PolarHBondContact O-N 3.45Å; S919-N921 VanDerWaalsContact C-N 3.29Å; S919-N921 PolarHBondContact O-N 3.14Å; N921-S923 VanDerWaalsContact C-N 3.25Å; N921-S923 PolarHBondContact O-N 2.89Å; N921-L927 HydrophobicContact CB-CD2 4.13Å; N921-L927 VanDerWaalsContact CG-CD2 3.41Å; N921-L927 WeakPolarHBondContact ND2-CD2 3.28Å; N921-L927 WeakPolarHBondContact OD1-CD2 3.19Å; N921-Y947 VanDerWaalsContact OD1-CE1 3.31Å; N921-Y947 WeakPolarHBondContact OD1-CE1 3.36Å; N921-Y947 PolarHBondContact OD1-OH 2.94Å | ||
| 922 | H | 84.7 | Confident | 89.6 | Confident | 63 Ų | 63 | 55.6 Ų | 55.6 | 29% | 0.292 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -68.1 | -29 | 175.4 | -166.1 | -173.6 | 0 | 0 | 0 | 112 | F969 K1002 S1146 | H922-F969 VanDerWaalsContact CA-CE1 3.49Å; H922-F969 HydrophobicContact CB-CD1 3.65Å; H922-F969 HydrophobicContact CB-CE1 3.54Å; H922-F969 AromaticContact CG-CD1 3.78Å; H922-K1002 PolarHBondContact CE1-O 2.87Å; H922-S1146 PolarHBondContact ND1-O 2.82Å |
| 923 | S | 83.5 | Confident | 89.8 | Confident | 36 Ų | 36 | 56.5 Ų | 56.5 | 25% | 0.252 | 29% | 0.293 | S | S | . | . | trans | -146.3 | 136.1 | 177.7 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | N921 S925 S926 | N921-S923 VanDerWaalsContact C-N 3.25Å; N921-S923 PolarHBondContact O-N 2.89Å; S923-S925 PolarHBondContact O-N 3.44Å; S923-S925 PolarHBondContact OG-N 3.28Å; S923-S925 PolarHBondContact OG-OG 2.86Å; S923-S925 VanDerWaalsContact OG-OG 3.11Å; S923-S926 PolarHBondContact O-N 2.88Å | ||
| 924 | H | 78.5 | Confident | 90.1 | Very high | 136 Ų | 136 | 52.4 Ų | 52.4 | 63% | 0.63 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -20.4 | 177.9 | -67.4 | -73.3 | 0 | 0 | 0 | 114.1 | ||
| 925 | S | 79.7 | Confident | 90.3 | Very high | 82 Ų | 82 | 54.1 Ų | 54.1 | 57% | 0.573 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -10.6 | -179.7 | 62.5 | 0 | 0 | 0 | 0 | 113.7 | S923 | S923-S925 PolarHBondContact O-N 3.44Å; S923-S925 PolarHBondContact OG-N 3.28Å; S923-S925 PolarHBondContact OG-OG 2.86Å; S923-S925 VanDerWaalsContact OG-OG 3.11Å |
| 926 | S | 85.2 | Confident | 90.5 | Very high | 7 Ų | 7 | 45.2 Ų | 45.2 | 5% | 0.049 | 24% | 0.237 | C | C | . | . | trans | -116.5 | 62.2 | -167.1 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | S923 N949 L1149 | S923-S926 PolarHBondContact O-N 2.88Å; S926-N949 PolarHBondContact O-ND2 3.23Å; S926-L1149 WeakPolarHBondContact OG-CD1 3.22Å | ||
| 927 | L | 91.9 | Very high | 90.4 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -100.2 | 147.6 | -175.1 | -57.7 | 178.9 | 0 | 0 | 0 | 112.5 | Q909 N913 N921 | Q909-L927 HydrophobicContact CB-CB 4.2Å; Q909-L927 HydrophobicContact CB-CD1 4.45Å; Q909-L927 HydrophobicContact CG-CB 4.33Å; Q909-L927 PolarHBondContact NE2-O 3.29Å; N913-L927 VanDerWaalsContact ND2-CD1 3.34Å; N913-L927 WeakPolarHBondContact ND2-CD1 3.42Å; N913-L927 WeakPolarHBondContact OD1-CD1 3.36Å; N921-L927 HydrophobicContact CB-CD2 4.13Å; N921-L927 VanDerWaalsContact CG-CD2 3.41Å; N921-L927 WeakPolarHBondContact ND2-CD2 3.28Å; N921-L927 WeakPolarHBondContact OD1-CD2 3.19Å |
| 928 | P | 94.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -73.5 | 153.6 | 173.4 | 33.5 | -32.6 | 0 | 0 | 0 | 110.2 | Q909 R933 Y947 N949 S951 | Q909-P928 WeakPolarHBondContact CG-O 2.82Å; P928-R933 HydrophobicContact CB-CB 4.02Å; P928-R933 HydrophobicContact CG-CB 4.19Å; P928-Y947 VanDerWaalsContact CD-OH 3.27Å; P928-Y947 WeakPolarHBondContact CD-OH 3.28Å; P928-Y947 HydrophobicContact CG-CE2 3.8Å; P928-N949 WeakPolarHBondContact CD-OD1 3.23Å; P928-S951 VanDerWaalsContact CB-OG 3.29Å; P928-S951 WeakPolarHBondContact CB-OG 3.27Å |
| 929 | Y | 95.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 145.2 | 168.2 | -62.9 | -52.1 | 0 | 0 | 0 | 111.2 | V905 K906 F907 S908 Q909 H931 N932 R933 C1181 K1182 A1183 S1185 | V905-Y929 HydrophobicContact CG1-CE1 4.05Å; K906-Y929 PolarHBondContact N-OH 3.25Å; K906-Y929 VanDerWaalsContact N-OH 3.16Å; F907-Y929 HydrophobicContact CB-CD1 3.66Å; F907-Y929 HydrophobicContact CB-CD2 4.34Å; F907-Y929 HydrophobicContact CB-CE1 3.92Å; F907-Y929 HydrophobicContact CB-CG 3.87Å; F907-Y929 AromaticContact CD2-CD2 3.97Å; F907-Y929 HydrophobicContact CD2-CD2 3.97Å; F907-Y929 HydrophobicContact CD2-CE1 4.35Å; F907-Y929 AromaticContact CD2-CE2 3.74Å; F907-Y929 HydrophobicContact CD2-CE2 3.74Å; F907-Y929 HydrophobicContact CD2-CG 4.37Å; F907-Y929 AromaticContact CD2-CZ 3.91Å; F907-Y929 WeakPolarHBondContact O-CD1 3.35Å; F907-Y929 WeakPolarHBondContact O-CE1 3.42Å; S908-Y929 WeakPolarHBondContact O-CA 3.17Å; Q909-Y929 HydrophobicContact CG-CD1 3.71Å; Q909-Y929 HydrophobicContact CG-CE1 4.22Å; Y929-H931 WeakPolarHBondContact CB-ND1 3.48Å; Y929-H931 AromaticContact CD2-CE1 3.79Å; Y929-H931 AromaticContact CG-CE1 3.95Å; Y929-H931 PolarHBondContact O-N 2.95Å; Y929-N932 PolarHBondContact O-N 3.11Å; Y929-N932 PolarHBondContact O-OD1 3.24Å; Y929-R933 PolarHBondContact O-N 3.06Å; Y929-R933 VanDerWaalsContact O-N 3.11Å; Y929-C1181 PolarHBondContact OH-O 3.07Å; Y929-K1182 WeakPolarHBondContact CD2-O 3.47Å; Y929-K1182 WeakPolarHBondContact CE2-O 3.34Å; Y929-A1183 WeakPolarHBondContact CD2-O 3.36Å; Y929-S1185 WeakPolarHBondContact OH-CA 3.38Å; Y929-S1185 VanDerWaalsContact OH-CB 3.29Å; Y929-S1185 WeakPolarHBondContact OH-CB 3.49Å |
| 930 | D | 94.5 | Very high | 86.8 | Confident | 30 Ų | 30 | 55.5 Ų | 55.5 | 16% | 0.16 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -28.6 | -174.7 | -65 | -27.5 | 0 | 0 | 0 | 113 | S908 S910 I911 | S908-D930 VanDerWaalsContact CB-OD2 3.23Å; S908-D930 WeakPolarHBondContact CB-OD2 3.16Å; S908-D930 PolarHBondContact O-N 2.8Å; S908-D930 PolarHBondContact OG-OD2 3.01Å; S910-D930 WeakPolarHBondContact CB-OD2 3.39Å; S910-D930 PolarHBondContact N-OD1 3.16Å; S910-D930 PolarHBondContact N-OD2 3.23Å; S910-D930 PolarHBondContact OG-OD2 3.42Å; I911-D930 WeakPolarHBondContact CB-OD1 3.45Å; I911-D930 HydrophobicContact CG1-CB 4.45Å; I911-D930 WeakPolarHBondContact CG1-OD1 3.25Å; I911-D930 PolarHBondContact N-OD1 3.26Å |
| 931 | H | 94.1 | Very high | 85.1 | Confident | 117 Ų | 117 | 62.6 Ų | 62.6 | 54% | 0.542 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -25.1 | -172.4 | 71.7 | -85.1 | 0 | 0 | 0 | 114.4 | F907 Y929 | F907-H931 AromaticContact CD2-CE1 3.93Å; Y929-H931 WeakPolarHBondContact CB-ND1 3.48Å; Y929-H931 AromaticContact CD2-CE1 3.79Å; Y929-H931 AromaticContact CG-CE1 3.95Å; Y929-H931 PolarHBondContact O-N 2.95Å |
| 932 | N | 95.2 | Very high | 83.6 | Confident | 19 Ų | 19 | 64.2 Ų | 64.2 | 10% | 0.102 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.8 | 10.2 | -177.4 | 73.2 | -30.9 | 0 | 0 | 0 | 113.6 | Y929 F952 A1183 | Y929-N932 PolarHBondContact O-N 3.11Å; Y929-N932 PolarHBondContact O-OD1 3.24Å; N932-F952 PolarHBondContact ND2-O 3.46Å; N932-F952 PolarHBondContact O-N 3.07Å; N932-A1183 WeakPolarHBondContact ND2-CA 3.44Å; N932-A1183 PolarHBondContact ND2-O 3.42Å; N932-A1183 PolarHBondContact OD1-O 2.81Å |
| 933 | R | 95.6 | Very high | 82.6 | Confident | 18 Ų | 18 | 67.3 Ų | 67.3 | 7% | 0.068 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 150.3 | 171.5 | 71.2 | 177.1 | -179.1 | 89.7 | -3 | 111.4 | P928 Y929 K935 D946 A950 | P928-R933 HydrophobicContact CB-CB 4.02Å; P928-R933 HydrophobicContact CG-CB 4.19Å; Y929-R933 PolarHBondContact O-N 3.06Å; Y929-R933 VanDerWaalsContact O-N 3.11Å; R933-K935 HydrophobicContact CG-CG 4.47Å; R933-D946 IonicContact CZ-OD1 3.29Å; R933-D946 IonicContact CZ-OD2 3.66Å; R933-D946 PolarHBondContact NH1-O 2.84Å; R933-D946 VanDerWaalsContact NH1-O 3.16Å; R933-D946 IonicContact NH1-OD1 3.72Å; R933-D946 PolarHBondContact NH1-OD1 2.93Å; R933-D946 VanDerWaalsContact NH1-OD1 3.11Å; R933-D946 IonicContact NH1-OD2 3.89Å; R933-D946 PolarHBondContact NH1-OD2 3.33Å; R933-D946 VanDerWaalsContact NH2-CG 3.29Å; R933-D946 IonicContact NH2-OD1 3.07Å; R933-D946 PolarHBondContact NH2-OD1 3.39Å; R933-D946 IonicContact NH2-OD2 2.96Å; R933-D946 PolarHBondContact NH2-OD2 2.72Å; R933-A950 CarbonylContact C-O 3.55Å; R933-A950 VanDerWaalsContact CA-O 3.23Å; R933-A950 WeakPolarHBondContact CA-O 3.25Å |
| 934 | V | 97 | Very high | 82.3 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.006 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 140.9 | 166.9 | -173.9 | 0 | 0 | 0 | 0 | 108.6 | I948 A950 F952 I963 M980 | V934-I948 HydrophobicContact CB-CG2 3.91Å; V934-I948 HydrophobicContact CG1-CG2 4.21Å; V934-A950 HydrophobicContact CB-CB 4.13Å; V934-A950 HydrophobicContact CG2-CB 3.75Å; V934-A950 PolarHBondContact N-O 3.2Å; V934-F952 HydrophobicContact CB-CE2 4.17Å; V934-F952 HydrophobicContact CG1-CE2 4.23Å; V934-F952 HydrophobicContact CG1-CZ 4.29Å; V934-F952 HydrophobicContact CG2-CD2 3.96Å; V934-F952 HydrophobicContact CG2-CE1 4.45Å; V934-F952 HydrophobicContact CG2-CE2 3.74Å; V934-F952 HydrophobicContact CG2-CG 4.42Å; V934-F952 HydrophobicContact CG2-CZ 3.99Å; V934-I963 HydrophobicContact CG2-CD1 4.16Å; V934-I963 HydrophobicContact CG2-CG1 4.24Å; V934-I963 HydrophobicContact CG2-CG2 4Å; V934-M980 HydrophobicContact CB-SD 4.34Å; V934-M980 HydrophobicContact CG1-CG 3.99Å; V934-M980 HydrophobicContact CG1-SD 4.17Å; V934-M980 HydrophobicContact CG2-SD 4.2Å |
| 935 | K | 95 | Very high | 82.6 | Confident | 115 Ų | 115 | 63.1 Ų | 63.1 | 50% | 0.5 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 123.5 | 178.4 | -53.4 | -169.7 | 178.5 | -179.4 | 0 | 108.8 | R933 D946 Q983 | R933-K935 HydrophobicContact CG-CG 4.47Å; K935-D946 WeakPolarHBondContact CA-O 3.5Å; K935-Q983 PolarHBondContact O-NE2 2.82Å |
| 936 | L | 93 | Very high | 83.1 | Confident | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | trans | -84.7 | 138.8 | 179.5 | -62.5 | 179.9 | 0 | 0 | 0 | 110.8 | Q938 D946 I948 D976 L979 M980 | L936-Q938 HydrophobicContact CB-CG 4.45Å; L936-Q938 PolarHBondContact O-N 2.9Å; L936-D946 PolarHBondContact N-O 3.03Å; L936-D946 WeakPolarHBondContact O-CB 3.38Å; L936-I948 HydrophobicContact CD1-CB 3.91Å; L936-I948 HydrophobicContact CD1-CD1 4.44Å; L936-I948 HydrophobicContact CD1-CG2 4.22Å; L936-I948 HydrophobicContact CD2-CG2 4.14Å; L936-I948 HydrophobicContact CG-CB 4.16Å; L936-I948 HydrophobicContact CG-CG2 3.91Å; L936-D976 HydrophobicContact CD1-CB 3.78Å; L936-D976 WeakPolarHBondContact CD1-OD1 3.45Å; L936-L979 HydrophobicContact CB-CD2 4.29Å; L936-L979 HydrophobicContact CD1-CD2 4.39Å; L936-L979 HydrophobicContact CD2-CD2 4.5Å; L936-L979 HydrophobicContact CD2-CG 4.37Å; L936-M980 HydrophobicContact CD2-CB 3.91Å | ||
| 937 | N | 86.1 | Confident | 83.6 | Confident | 122 Ų | 122 | 61.7 Ų | 61.7 | 65% | 0.652 | 33% | 0.329 | S | S | * | . | trans | -82.4 | 90.6 | 173.8 | -67.5 | -15.8 | 0 | 0 | 0 | 109 | ||||
| 938 | Q | 75.9 | Confident | 83.8 | Confident | 55 Ų | 55 | 62.1 Ų | 62.1 | 26% | 0.257 | 33% | 0.331 | S | S | . | . | trans | -89.4 | 146.7 | 175.1 | -62.8 | -65.4 | -8 | 0 | 0 | 110.9 | L936 E944 D976 | L936-Q938 HydrophobicContact CB-CG 4.45Å; L936-Q938 PolarHBondContact O-N 2.9Å; Q938-E944 HydrophobicContact CG-CB 4.06Å; Q938-D976 PolarHBondContact NE2-OD1 3.11Å | ||
| 939 | L | 65 | Low | 83.8 | Confident | 149 Ų | 149 | 62.1 Ų | 62.1 | 78% | 0.78 | 33% | 0.331 | S | S | * | . | trans | -66.9 | 139.7 | 176.6 | -74 | 156.2 | 0 | 0 | 0 | 110.2 | D941 S942 | L939-D941 PolarHBondContact O-N 3.3Å; L939-S942 PolarHBondContact O-N 2.77Å; L939-S942 PolarHBondContact O-OG 2.76Å | ||
| 940 | N | 55.6 | Low | 83.9 | Confident | 170 Ų | 170 | 62.1 Ų | 62.1 | 91% | 0.909 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -22.9 | -173.5 | -75.4 | -17.8 | 0 | 0 | 0 | 115 | ||
| 941 | D | 55.5 | Low | 84 | Confident | 170 Ų | 170 | 60.7 Ų | 60.7 | 91% | 0.909 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 0.3 | -178.6 | -73.2 | -26.1 | 0 | 0 | 0 | 114.3 | L939 | L939-D941 PolarHBondContact O-N 3.3Š|
| 942 | S | 59.5 | Low | 84.2 | Confident | 48 Ų | 48 | 56.5 Ų | 56.5 | 34% | 0.336 | 30% | 0.304 | S | S | . | . | trans | -87.8 | 143.1 | -178.3 | 66.2 | 0 | 0 | 0 | 0 | 112.3 | L939 E944 | L939-S942 PolarHBondContact O-N 2.77Å; L939-S942 PolarHBondContact O-OG 2.76Å; S942-E944 PolarHBondContact O-N 2.66Å | ||
| 943 | S | 64.1 | Low | 84.2 | Confident | 128 Ų | 128 | 55.8 Ų | 55.8 | 90% | 0.895 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -73.2 | 4.2 | 168.8 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 944 | E | 77 | Confident | 84 | Confident | 61 Ų | 61 | 59 Ų | 59 | 29% | 0.285 | 32% | 0.319 | S | S | . | . | trans | -82.5 | 136.5 | -177.4 | -76.4 | -78 | 161.7 | 0 | 0 | 110.7 | K920 Q938 S942 | K920-E944 IonicContact NZ-OE2 2.67Å; K920-E944 PolarHBondContact NZ-OE2 3.01Å; Q938-E944 HydrophobicContact CG-CB 4.06Å; S942-E944 PolarHBondContact O-N 2.66Å | ||
| 945 | T | 85 | Confident | 83.7 | Confident | 23 Ų | 23 | 59.8 Ų | 59.8 | 14% | 0.141 | 33% | 0.326 | C | S | . | . | trans | -87.9 | 159.4 | 178.7 | 65.1 | 0 | 0 | 0 | 0 | 111.4 | M916 N917 Y947 | M916-T945 HydrophobicContact CB-CG2 4.44Å; M916-T945 HydrophobicContact CG-CG2 3.92Å; M916-T945 HydrophobicContact SD-CG2 3.46Å; M916-T945 WeakPolarHBondContact SD-CG2 3.37Å; N917-T945 WeakPolarHBondContact OD1-CB 3.16Å; N917-T945 WeakPolarHBondContact OD1-CG2 3.37Å; N917-T945 PolarHBondContact OD1-OG1 3.25Å; T945-Y947 PolarHBondContact O-N 3.35Å | ||
| 946 | D | 91.6 | Very high | 83.2 | Confident | 59 Ų | 59 | 57.2 Ų | 57.2 | 32% | 0.316 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -69.9 | 5.7 | 173.2 | 81.5 | -21.7 | 0 | 0 | 0 | 113.7 | R933 K935 L936 | R933-D946 IonicContact CZ-OD1 3.29Å; R933-D946 IonicContact CZ-OD2 3.66Å; R933-D946 PolarHBondContact NH1-O 2.84Å; R933-D946 VanDerWaalsContact NH1-O 3.16Å; R933-D946 IonicContact NH1-OD1 3.72Å; R933-D946 PolarHBondContact NH1-OD1 2.93Å; R933-D946 VanDerWaalsContact NH1-OD1 3.11Å; R933-D946 IonicContact NH1-OD2 3.89Å; R933-D946 PolarHBondContact NH1-OD2 3.33Å; R933-D946 VanDerWaalsContact NH2-CG 3.29Å; R933-D946 IonicContact NH2-OD1 3.07Å; R933-D946 PolarHBondContact NH2-OD1 3.39Å; R933-D946 IonicContact NH2-OD2 2.96Å; R933-D946 PolarHBondContact NH2-OD2 2.72Å; K935-D946 WeakPolarHBondContact CA-O 3.5Å; L936-D946 PolarHBondContact N-O 3.03Å; L936-D946 WeakPolarHBondContact O-CB 3.38Å |
| 947 | Y | 95 | Very high | 82.7 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 126.7 | -169.2 | 178.1 | -100.7 | 0 | 0 | 0 | 112 | I911 G912 N917 K920 N921 P928 T945 | I911-Y947 HydrophobicContact CG2-CD2 3.84Å; I911-Y947 HydrophobicContact CG2-CG 4.47Å; G912-Y947 VanDerWaalsContact CA-CE2 3.49Å; G912-Y947 WeakPolarHBondContact CA-OH 3.29Å; N917-Y947 HydrophobicContact CB-CD1 3.61Å; N917-Y947 HydrophobicContact CB-CE1 4.01Å; N917-Y947 HydrophobicContact CB-CG 4.07Å; N917-Y947 WeakPolarHBondContact ND2-CB 3.49Å; K920-Y947 HydrophobicContact CB-CD1 4.04Å; K920-Y947 HydrophobicContact CB-CE1 4.1Å; K920-Y947 HydrophobicContact CD-CD1 4.28Å; K920-Y947 WeakPolarHBondContact CD-O 3.43Å; N921-Y947 VanDerWaalsContact OD1-CE1 3.31Å; N921-Y947 WeakPolarHBondContact OD1-CE1 3.36Å; N921-Y947 PolarHBondContact OD1-OH 2.94Å; P928-Y947 VanDerWaalsContact CD-OH 3.27Å; P928-Y947 WeakPolarHBondContact CD-OH 3.28Å; P928-Y947 HydrophobicContact CG-CE2 3.8Å; T945-Y947 PolarHBondContact O-N 3.35Å |
| 948 | I | 95.5 | Very high | 82.7 | Confident | 13 Ų | 13 | 62.9 Ų | 62.9 | 7% | 0.067 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 143.9 | 162.6 | -174 | 171.9 | 0 | 0 | 0 | 108.2 | V934 L936 A950 D976 M980 | V934-I948 HydrophobicContact CB-CG2 3.91Å; V934-I948 HydrophobicContact CG1-CG2 4.21Å; L936-I948 HydrophobicContact CD1-CB 3.91Å; L936-I948 HydrophobicContact CD1-CD1 4.44Å; L936-I948 HydrophobicContact CD1-CG2 4.22Å; L936-I948 HydrophobicContact CD2-CG2 4.14Å; L936-I948 HydrophobicContact CG-CB 4.16Å; L936-I948 HydrophobicContact CG-CG2 3.91Å; I948-A950 HydrophobicContact CG2-CB 4.3Å; I948-A950 PolarHBondContact O-N 3.49Å; I948-D976 HydrophobicContact CD1-CB 4.16Å; I948-M980 HydrophobicContact CD1-CB 3.99Å; I948-M980 HydrophobicContact CD1-CE 4.2Å; I948-M980 HydrophobicContact CD1-SD 3.9Å; I948-M980 HydrophobicContact CG2-SD 4.45Å |
| 949 | N | 95.6 | Very high | 83.3 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 76.4 | 176.7 | -171.1 | -15.4 | 0 | 0 | 0 | 111.4 | S926 P928 Q966 R1184 | S926-N949 PolarHBondContact O-ND2 3.23Å; P928-N949 WeakPolarHBondContact CD-OD1 3.23Å; N949-Q966 VanDerWaalsContact CB-CD 3.46Å; N949-Q966 HydrophobicContact CB-CG 3.91Å; N949-Q966 PolarHBondContact ND2-OE1 2.92Å; N949-Q966 PolarHBondContact O-N 3.24Å; N949-R1184 PolarHBondContact OD1-NH1 2.94Å; N949-R1184 PolarHBondContact OD1-NH2 2.84Å |
| 950 | A | 97 | Very high | 84.6 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 148.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | R933 V934 I948 I963 A964 A965 M980 | R933-A950 CarbonylContact C-O 3.55Å; R933-A950 VanDerWaalsContact CA-O 3.23Å; R933-A950 WeakPolarHBondContact CA-O 3.25Å; V934-A950 HydrophobicContact CB-CB 4.13Å; V934-A950 HydrophobicContact CG2-CB 3.75Å; V934-A950 PolarHBondContact N-O 3.2Å; I948-A950 HydrophobicContact CG2-CB 4.3Å; I948-A950 PolarHBondContact O-N 3.49Å; A950-I963 HydrophobicContact CB-CG2 3.84Å; A950-A964 CarbonylContact C-O 3.45Å; A950-A964 WeakPolarHBondContact CA-O 3.34Å; A950-A965 HydrophobicContact CB-CB 3.77Å; A950-M980 HydrophobicContact CB-CE 4.5Å; A950-M980 HydrophobicContact CB-SD 3.62Å |
| 951 | S | 96.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 132.9 | -178.9 | -60.6 | 0 | 0 | 0 | 0 | 111.1 | P928 I963 A964 R1184 | P928-S951 VanDerWaalsContact CB-OG 3.29Å; P928-S951 WeakPolarHBondContact CB-OG 3.27Å; S951-I963 WeakPolarHBondContact O-CA 3.36Å; S951-A964 PolarHBondContact N-O 3.46Å; S951-A964 PolarHBondContact O-N 2.94Å; S951-R1184 PolarHBondContact OG-NH1 3.12Å |
| 952 | F | 97.2 | Very high | 88.3 | Confident | 30 Ų | 30 | 55.3 Ų | 55.3 | 13% | 0.132 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 133.8 | 166 | -72.2 | -72.7 | 0 | 0 | 0 | 110.3 | N932 V934 R960 Y962 I963 P1140 | N932-F952 PolarHBondContact ND2-O 3.46Å; N932-F952 PolarHBondContact O-N 3.07Å; V934-F952 HydrophobicContact CB-CE2 4.17Å; V934-F952 HydrophobicContact CG1-CE2 4.23Å; V934-F952 HydrophobicContact CG1-CZ 4.29Å; V934-F952 HydrophobicContact CG2-CD2 3.96Å; V934-F952 HydrophobicContact CG2-CE1 4.45Å; V934-F952 HydrophobicContact CG2-CE2 3.74Å; V934-F952 HydrophobicContact CG2-CG 4.42Å; V934-F952 HydrophobicContact CG2-CZ 3.99Å; F952-R960 HydrophobicContact CB-CB 4.32Å; F952-R960 HydrophobicContact CB-CG 3.97Å; F952-R960 HydrophobicContact CD1-CB 3.76Å; F952-R960 HydrophobicContact CD1-CG 4.02Å; F952-R960 HydrophobicContact CE1-CB 4.42Å; F952-R960 HydrophobicContact CG-CB 4.27Å; F952-R960 HydrophobicContact CG-CG 4.05Å; F952-Y962 WeakPolarHBondContact CA-O 3.24Å; F952-I963 HydrophobicContact CD1-CD1 4.15Å; F952-I963 HydrophobicContact CD1-CG1 3.64Å; F952-I963 HydrophobicContact CE1-CD1 3.64Å; F952-I963 HydrophobicContact CE1-CG1 3.68Å; F952-I963 HydrophobicContact CZ-CD1 4.26Å; F952-P1140 HydrophobicContact CE1-CG 4.34Å |
| 953 | I | 95.1 | Very high | 90.1 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.015 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 132.6 | 175.4 | -56.6 | -175.1 | 0 | 0 | 0 | 108.4 | R960 A961 Y962 A964 I1156 L1180 A1183 I1187 | I953-R960 CarbonylContact O-C 3.49Å; I953-R960 WeakPolarHBondContact O-CA 3.45Å; I953-A961 PolarHBondContact O-N 2.8Å; I953-Y962 PolarHBondContact N-O 3.48Å; I953-Y962 PolarHBondContact O-N 3.4Å; I953-A964 HydrophobicContact CD1-CB 3.6Å; I953-A964 HydrophobicContact CG1-CB 4.34Å; I953-I1156 HydrophobicContact CD1-CD1 3.9Å; I953-I1156 HydrophobicContact CG2-CG2 4.28Å; I953-L1180 HydrophobicContact CG2-CD2 3.72Å; I953-A1183 HydrophobicContact CG1-CB 3.97Å; I953-A1183 HydrophobicContact CG2-CB 4.35Å; I953-I1187 HydrophobicContact CD1-CD1 3.71Å |
| 954 | D | 92.7 | Very high | 91.7 | Very high | 87 Ų | 87 | 47 Ų | 47 | 47% | 0.465 | 21% | 0.211 | S | C | . | . | trans | -73.1 | 141.1 | 175.8 | -67.9 | -25.5 | 0 | 0 | 0 | 110.4 | R959 R960 | D954-R959 VanDerWaalsContact OD1-CA 3.3Å; D954-R959 WeakPolarHBondContact OD1-CA 3.4Å; D954-R960 PolarHBondContact OD1-N 2.64Å | ||
| 955 | G | 89.9 | Confident | 92.6 | Very high | 16 Ų | 16 | 44.1 Ų | 44.1 | 17% | 0.165 | 20% | 0.198 | C | C | . | . | trans | -89.6 | -176.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R958 | G955-R958 WeakPolarHBondContact CA-O 3.37Å; G955-R958 PolarHBondContact N-O 3.43Å | ||
| 956 | Y | 84.6 | Confident | 93.1 | Very high | 62 Ų | 62 | 43.5 Ų | 43.5 | 24% | 0.243 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -66.7 | -44.8 | -176.7 | -173.3 | -110.1 | 0 | 0 | 0 | 111.5 | L1160 Q1163 Q1164 H1167 E1168 | Y956-L1160 VanDerWaalsContact N-CD2 3.25Å; Y956-Q1163 VanDerWaalsContact CB-OE1 3.23Å; Y956-Q1163 HydrophobicContact CD1-CB 4.03Å; Y956-Q1163 HydrophobicContact CG-CB 4.05Å; Y956-Q1164 HydrophobicContact CD2-CB 4.36Å; Y956-Q1164 HydrophobicContact CE2-CB 3.96Å; Y956-Q1164 HydrophobicContact CE2-CG 4.03Å; Y956-H1167 AromaticContact CD1-CD2 3.94Å; Y956-H1167 HydrophobicContact CE1-CB 3.8Å; Y956-H1167 AromaticContact CE1-CD2 3.6Å; Y956-H1167 AromaticContact CE1-CG 3.86Å; Y956-E1168 VanDerWaalsContact OH-CD 3.27Å; Y956-E1168 VanDerWaalsContact OH-CG 3.3Å; Y956-E1168 WeakPolarHBondContact OH-CG 3.1Å; Y956-E1168 PolarHBondContact OH-OE1 2.76Å |
| 957 | M | 82.4 | Confident | 93.2 | Very high | 132 Ų | 132 | 40.7 Ų | 40.7 | 65% | 0.65 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -111 | -9.9 | 178.6 | -59.9 | -56.2 | -167.1 | 0 | 0 | 114.8 | ||
| 958 | R | 85.7 | Confident | 93.1 | Very high | 113 Ų | 113 | 40.8 Ų | 40.8 | 43% | 0.426 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -132.1 | 127.1 | -170.7 | 176.3 | 172.9 | 172 | 168.6 | -6.9 | 111.2 | G955 A961 P1136 D1138 | G955-R958 WeakPolarHBondContact CA-O 3.37Å; G955-R958 PolarHBondContact N-O 3.43Å; R958-A961 HydrophobicContact CB-CB 4.12Å; R958-A961 HydrophobicContact CG-CB 4.17Å; R958-A961 WeakPolarHBondContact O-CB 3.32Å; R958-P1136 PolarHBondContact NH1-O 3.37Å; R958-D1138 PolarHBondContact NH1-O 3.1Å; R958-D1138 PolarHBondContact NH2-O 3.21Å |
| 959 | R | 89.7 | Confident | 93 | Very high | 213 Ų | 213 | 42.3 Ų | 42.3 | 80% | 0.804 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 146.7 | 171.2 | -72.3 | -171.6 | 179.5 | -174.4 | 0.9 | 110.8 | D954 A961 | D954-R959 VanDerWaalsContact OD1-CA 3.3Å; D954-R959 WeakPolarHBondContact OD1-CA 3.4Å; R959-A961 PolarHBondContact O-N 3.13Å |
| 960 | R | 91.8 | Very high | 92.7 | Very high | 150 Ų | 150 | 45 Ų | 45 | 57% | 0.566 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 43.4 | -177.6 | -56.2 | -173.1 | 173.4 | -177.8 | -2.3 | 112 | F952 I953 D954 Y962 P1140 | F952-R960 HydrophobicContact CB-CB 4.32Å; F952-R960 HydrophobicContact CB-CG 3.97Å; F952-R960 HydrophobicContact CD1-CB 3.76Å; F952-R960 HydrophobicContact CD1-CG 4.02Å; F952-R960 HydrophobicContact CE1-CB 4.42Å; F952-R960 HydrophobicContact CG-CB 4.27Å; F952-R960 HydrophobicContact CG-CG 4.05Å; I953-R960 CarbonylContact O-C 3.49Å; I953-R960 WeakPolarHBondContact O-CA 3.45Å; D954-R960 PolarHBondContact OD1-N 2.64Å; R960-Y962 VanDerWaalsContact C-N 3.27Å; R960-P1140 WeakPolarHBondContact O-CB 3.43Å |
| 961 | A | 92.6 | Very high | 92.4 | Very high | 16 Ų | 16 | 49.6 Ų | 49.6 | 13% | 0.132 | 22% | 0.223 | C | C | . | . | trans | -73.5 | -22.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I953 R958 R959 P1140 L1141 | I953-A961 PolarHBondContact O-N 2.8Å; R958-A961 HydrophobicContact CB-CB 4.12Å; R958-A961 HydrophobicContact CG-CB 4.17Å; R958-A961 WeakPolarHBondContact O-CB 3.32Å; R959-A961 PolarHBondContact O-N 3.13Å; A961-P1140 CarbonylContact O-C 3.46Å; A961-P1140 VanDerWaalsContact O-CA 3.3Å; A961-P1140 WeakPolarHBondContact O-CA 3.44Å; A961-L1141 PolarHBondContact O-N 2.72Å | ||
| 962 | Y | 96 | Very high | 92 | Very high | 7 Ų | 7 | 54 Ų | 54 | 3% | 0.027 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 153.8 | -179.8 | -48.9 | -99.8 | 0 | 0 | 0 | 110.9 | F952 I953 R960 L1141 V1143 I1156 D1159 L1160 Q1163 | F952-Y962 WeakPolarHBondContact CA-O 3.24Å; I953-Y962 PolarHBondContact N-O 3.48Å; I953-Y962 PolarHBondContact O-N 3.4Å; R960-Y962 VanDerWaalsContact C-N 3.27Å; Y962-L1141 VanDerWaalsContact CA-O 3.29Å; Y962-L1141 WeakPolarHBondContact CA-O 3.04Å; Y962-L1141 HydrophobicContact CD1-CB 4Å; Y962-L1141 HydrophobicContact CD1-CD2 4.11Å; Y962-L1141 HydrophobicContact CD1-CG 4.46Å; Y962-L1141 HydrophobicContact CE1-CB 4.43Å; Y962-L1141 HydrophobicContact CE1-CD2 4.01Å; Y962-V1143 HydrophobicContact CD1-CG2 4.35Å; Y962-I1156 HydrophobicContact CD1-CG1 4.14Å; Y962-I1156 HydrophobicContact CD2-CG2 4.47Å; Y962-I1156 HydrophobicContact CG-CD1 4.48Å; Y962-I1156 HydrophobicContact CG-CG1 4.41Å; Y962-I1156 HydrophobicContact CG-CG2 4.44Å; Y962-D1159 WeakPolarHBondContact CE1-OD2 3.01Å; Y962-D1159 PolarHBondContact OH-OD2 2.87Å; Y962-L1160 HydrophobicContact CE2-CD1 4.3Å; Y962-L1160 HydrophobicContact CE2-CD2 3.82Å; Y962-L1160 HydrophobicContact CE2-CG 4.29Å; Y962-Q1163 PolarHBondContact OH-NE2 3.22Å |
| 963 | I | 97.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 122.8 | 161.1 | -68.6 | 170.5 | 0 | 0 | 0 | 107.7 | V934 A950 S951 F952 A965 M980 C984 I986 P1140 L1141 L1142 V1143 | V934-I963 HydrophobicContact CG2-CD1 4.16Å; V934-I963 HydrophobicContact CG2-CG1 4.24Å; V934-I963 HydrophobicContact CG2-CG2 4Å; A950-I963 HydrophobicContact CB-CG2 3.84Å; S951-I963 WeakPolarHBondContact O-CA 3.36Å; F952-I963 HydrophobicContact CD1-CD1 4.15Å; F952-I963 HydrophobicContact CD1-CG1 3.64Å; F952-I963 HydrophobicContact CE1-CD1 3.64Å; F952-I963 HydrophobicContact CE1-CG1 3.68Å; F952-I963 HydrophobicContact CZ-CD1 4.26Å; I963-A965 HydrophobicContact CG2-CB 4.39Å; I963-M980 HydrophobicContact CG2-CE 4.4Å; I963-M980 HydrophobicContact CG2-SD 3.97Å; I963-C984 HydrophobicContact CD1-CB 4.05Å; I963-I986 HydrophobicContact CD1-CD1 3.77Å; I963-I986 HydrophobicContact CD1-CG1 4.46Å; I963-P1140 HydrophobicContact CD1-CB 4.13Å; I963-P1140 HydrophobicContact CD1-CG 3.52Å; I963-P1140 HydrophobicContact CG1-CB 3.94Å; I963-P1140 HydrophobicContact CG1-CG 3.9Å; I963-L1141 PolarHBondContact N-O 2.68Å; I963-L1142 HydrophobicContact CB-CD1 3.93Å; I963-L1142 HydrophobicContact CG2-CD1 3.62Å; I963-V1143 PolarHBondContact O-N 2.94Å |
| 964 | A | 96.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 113.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | A950 S951 I953 V1143 T1152 I1156 | A950-A964 CarbonylContact C-O 3.45Å; A950-A964 WeakPolarHBondContact CA-O 3.34Å; S951-A964 PolarHBondContact N-O 3.46Å; S951-A964 PolarHBondContact O-N 2.94Å; I953-A964 HydrophobicContact CD1-CB 3.6Å; I953-A964 HydrophobicContact CG1-CB 4.34Å; A964-V1143 WeakPolarHBondContact CA-O 3.49Å; A964-T1152 HydrophobicContact CB-CG2 3.65Å; A964-I1156 HydrophobicContact CB-CD1 4.17Å |
| 965 | A | 96.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 154.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A950 I963 F977 M980 L1142 V1143 H1144 G1148 | A950-A965 HydrophobicContact CB-CB 3.77Å; I963-A965 HydrophobicContact CG2-CB 4.39Å; A965-F977 HydrophobicContact CB-CE2 4.3Å; A965-M980 HydrophobicContact CB-CE 4.14Å; A965-L1142 HydrophobicContact CB-CD1 3.77Å; A965-V1143 PolarHBondContact N-O 3.25Å; A965-H1144 HydrophobicContact CB-CB 4.32Å; A965-H1144 WeakPolarHBondContact O-CA 3.23Å; A965-H1144 WeakPolarHBondContact O-CB 3.38Å; A965-G1148 WeakPolarHBondContact O-CA 3.45Å; A965-G1148 PolarHBondContact O-N 3.05Å |
| 966 | Q | 94.7 | Very high | 91.8 | Very high | 11 Ų | 11 | 52.1 Ų | 52.1 | 5% | 0.051 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 156.1 | 163 | 75.9 | -179.6 | 21.2 | 0 | 0 | 110.1 | K920 N949 | K920-Q966 PolarHBondContact O-NE2 3.32Å; N949-Q966 VanDerWaalsContact CB-CD 3.46Å; N949-Q966 HydrophobicContact CB-CG 3.91Å; N949-Q966 PolarHBondContact ND2-OE1 2.92Å; N949-Q966 PolarHBondContact O-N 3.24Å |
| 967 | S | 93.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -66.8 | 143.7 | 168.9 | -83 | 0 | 0 | 0 | 0 | 111.3 | C1003 H1144 C1145 S1146 | S967-C1003 WeakPolarHBondContact CB-SG 3.35Å; S967-C1003 WeakPolarHBondContact OG-CB 3.17Å; S967-C1003 PolarHBondContact OG-SG 3.12Å; S967-H1144 PolarHBondContact OG-CE1 2.94Å; S967-H1144 PolarHBondContact OG-ND1 3.45Å; S967-C1145 WeakPolarHBondContact CB-O 3.39Å; S967-C1145 PolarHBondContact N-O 3.11Å; S967-C1145 PolarHBondContact OG-O 3.02Å; S967-S1146 PolarHBondContact N-O 3.34Å |
| 968 | P | 94.6 | Very high | 93 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.013 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 150.7 | 167.1 | 30.1 | -33.9 | 0 | 0 | 0 | 110.1 | I974 F977 C1004 Y1006 | P968-I974 HydrophobicContact CB-CG1 3.83Å; P968-I974 HydrophobicContact CG-CG1 4.31Å; P968-F977 HydrophobicContact CB-CB 4.42Å; P968-F977 HydrophobicContact CG-CD1 4.48Å; P968-F977 HydrophobicContact CG-CD2 4.44Å; P968-F977 HydrophobicContact CG-CG 4.27Å; P968-C1004 PolarHBondContact O-N 3.25Å; P968-C1004 PolarHBondContact O-SG 3.5Å; P968-Y1006 HydrophobicContact CG-CD1 3.43Å; P968-Y1006 VanDerWaalsContact CG-CD1 3.43Å; P968-Y1006 HydrophobicContact CG-CE1 4.14Å; P968-Y1006 HydrophobicContact CG-CG 3.79Å |
| 969 | F | 91.8 | Very high | 93.3 | Very high | 45 Ų | 45 | 39.4 Ų | 39.4 | 20% | 0.197 | 18% | 0.178 | C | C | . | . | trans | -138.6 | -8.9 | -176.1 | 53.8 | -100.3 | 0 | 0 | 0 | 114.2 | S919 H922 T973 C1004 | S919-F969 WeakPolarHBondContact O-CZ 3.01Å; H922-F969 VanDerWaalsContact CA-CE1 3.49Å; H922-F969 HydrophobicContact CB-CD1 3.65Å; H922-F969 HydrophobicContact CB-CE1 3.54Å; H922-F969 AromaticContact CG-CD1 3.78Å; F969-T973 HydrophobicContact CE1-CG2 4.1Å; F969-T973 HydrophobicContact CE2-CG2 4.11Å; F969-T973 HydrophobicContact CZ-CG2 3.81Å; F969-T973 PolarHBondContact N-OG1 3.39Å; F969-T973 VanDerWaalsContact N-OG1 3.12Å; F969-C1004 PolarHBondContact N-SG 2.73Å | ||
| 970 | D | 90.3 | Very high | 93.6 | Very high | 58 Ų | 58 | 29.2 Ų | 29.2 | 31% | 0.31 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -144.5 | 175.5 | 174.1 | 65 | 21.7 | 0 | 0 | 0 | 110.9 | L972 T973 I974 | D970-L972 VanDerWaalsContact C-N 3.34Å; D970-L972 PolarHBondContact O-N 2.85Å; D970-L972 PolarHBondContact OD1-N 3.23Å; D970-T973 PolarHBondContact N-OG1 3.46Å; D970-T973 PolarHBondContact O-N 3.04Å; D970-T973 PolarHBondContact O-OG1 3.07Å; D970-T973 VanDerWaalsContact OD1-CB 3.26Å; D970-T973 WeakPolarHBondContact OD1-CB 3.25Å; D970-T973 VanDerWaalsContact OD1-CG2 3.26Å; D970-T973 WeakPolarHBondContact OD1-CG2 3.34Å; D970-T973 PolarHBondContact OD1-N 3.31Å; D970-T973 PolarHBondContact OD1-OG1 3.36Å; D970-I974 VanDerWaalsContact O-CG1 3.22Å; D970-I974 WeakPolarHBondContact O-CG1 3.48Å; D970-I974 PolarHBondContact O-N 2.63Å |
| 971 | M | 89.3 | Confident | 93.8 | Very high | 95 Ų | 95 | 22.1 Ų | 22.1 | 47% | 0.468 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -63.6 | -36.9 | -176 | -171.3 | 64.1 | -180 | 0 | 0 | 113.3 | I974 Q975 F1028 | M971-I974 PolarHBondContact O-N 3.2Å; M971-Q975 WeakPolarHBondContact O-CG 3.16Å; M971-Q975 PolarHBondContact O-N 3.47Å; M971-F1028 HydrophobicContact CE-CD1 4.02Å; M971-F1028 HydrophobicContact SD-CD1 4.42Å |
| 972 | L | 89.1 | Confident | 93.8 | Very high | 94 Ų | 94 | 22.9 Ų | 22.9 | 49% | 0.492 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -70.2 | -44.1 | -178.5 | -66.5 | 173.6 | 0 | 0 | 0 | 110.9 | D970 I974 Q975 D976 | D970-L972 VanDerWaalsContact C-N 3.34Å; D970-L972 PolarHBondContact O-N 2.85Å; D970-L972 PolarHBondContact OD1-N 3.23Å; L972-I974 VanDerWaalsContact C-N 3.3Å; L972-I974 PolarHBondContact O-N 2.88Å; L972-Q975 WeakPolarHBondContact O-CB 3.19Å; L972-Q975 PolarHBondContact O-N 2.89Å; L972-Q975 VanDerWaalsContact O-N 3.15Å; L972-D976 PolarHBondContact O-N 2.78Å; L972-D976 VanDerWaalsContact O-N 3.08Å |
| 973 | T | 92.6 | Very high | 93.6 | Very high | 9 Ų | 9 | 25.6 Ų | 25.6 | 6% | 0.055 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.2 | -29.7 | 175.5 | 54.6 | 0 | 0 | 0 | 0 | 112.6 | F969 D970 F977 | F969-T973 HydrophobicContact CE1-CG2 4.1Å; F969-T973 HydrophobicContact CE2-CG2 4.11Å; F969-T973 HydrophobicContact CZ-CG2 3.81Å; F969-T973 PolarHBondContact N-OG1 3.39Å; F969-T973 VanDerWaalsContact N-OG1 3.12Å; D970-T973 PolarHBondContact N-OG1 3.46Å; D970-T973 PolarHBondContact O-N 3.04Å; D970-T973 PolarHBondContact O-OG1 3.07Å; D970-T973 VanDerWaalsContact OD1-CB 3.26Å; D970-T973 WeakPolarHBondContact OD1-CB 3.25Å; D970-T973 VanDerWaalsContact OD1-CG2 3.26Å; D970-T973 WeakPolarHBondContact OD1-CG2 3.34Å; D970-T973 PolarHBondContact OD1-N 3.31Å; D970-T973 PolarHBondContact OD1-OG1 3.36Å; T973-F977 VanDerWaalsContact O-CB 3.25Å; T973-F977 WeakPolarHBondContact O-CB 3.15Å; T973-F977 PolarHBondContact O-N 2.97Å |
| 974 | I | 94 | Very high | 93.5 | Very high | 12 Ų | 12 | 26.6 Ų | 26.6 | 6% | 0.062 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.7 | -44 | 170.5 | -67.6 | 165.2 | 0 | 0 | 0 | 111.2 | P968 D970 M971 L972 F977 W978 C1004 F1028 | P968-I974 HydrophobicContact CB-CG1 3.83Å; P968-I974 HydrophobicContact CG-CG1 4.31Å; D970-I974 VanDerWaalsContact O-CG1 3.22Å; D970-I974 WeakPolarHBondContact O-CG1 3.48Å; D970-I974 PolarHBondContact O-N 2.63Å; M971-I974 PolarHBondContact O-N 3.2Å; L972-I974 VanDerWaalsContact C-N 3.3Å; L972-I974 PolarHBondContact O-N 2.88Å; I974-F977 WeakPolarHBondContact O-CB 3.39Å; I974-F977 PolarHBondContact O-N 2.67Å; I974-W978 PolarHBondContact O-N 3.02Å; I974-C1004 VanDerWaalsContact CD1-SG 3.53Å; I974-C1004 VanDerWaalsContact CG1-SG 3.57Å; I974-F1028 HydrophobicContact CB-CD1 4.49Å; I974-F1028 HydrophobicContact CG2-CD1 3.36Å; I974-F1028 HydrophobicContact CG2-CE1 3.53Å; I974-F1028 HydrophobicContact CG2-CG 3.9Å; I974-F1028 HydrophobicContact CG2-CZ 4.17Å |
| 975 | Q | 92.1 | Very high | 93.3 | Very high | 65 Ų | 65 | 30.9 Ų | 30.9 | 30% | 0.304 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62.3 | -47.1 | 179 | -69.9 | 177.6 | 7.9 | 0 | 0 | 111.1 | M971 L972 F977 W978 L979 F1028 | M971-Q975 WeakPolarHBondContact O-CG 3.16Å; M971-Q975 PolarHBondContact O-N 3.47Å; L972-Q975 WeakPolarHBondContact O-CB 3.19Å; L972-Q975 PolarHBondContact O-N 2.89Å; L972-Q975 VanDerWaalsContact O-N 3.15Å; Q975-F977 VanDerWaalsContact C-N 3.27Å; Q975-F977 PolarHBondContact O-N 2.9Å; Q975-W978 PolarHBondContact O-N 3.12Å; Q975-L979 WeakPolarHBondContact O-CB 3.43Å; Q975-L979 PolarHBondContact O-N 3.44Å; Q975-F1028 HydrophobicContact CG-CB 4.29Å |
| 976 | D | 93.1 | Very high | 93.3 | Very high | 9 Ų | 9 | 30.9 Ų | 30.9 | 5% | 0.048 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.6 | -39 | 174 | -80.2 | -17.8 | 0 | 0 | 0 | 112.1 | K920 L936 Q938 I948 L972 L979 M980 | K920-D976 WeakPolarHBondContact CE-OD2 3.32Å; K920-D976 IonicContact NZ-OD1 2.79Å; K920-D976 IonicContact NZ-OD2 3.73Å; K920-D976 PolarHBondContact NZ-OD2 2.88Å; L936-D976 HydrophobicContact CD1-CB 3.78Å; L936-D976 WeakPolarHBondContact CD1-OD1 3.45Å; Q938-D976 PolarHBondContact NE2-OD1 3.11Å; I948-D976 HydrophobicContact CD1-CB 4.16Å; L972-D976 PolarHBondContact O-N 2.78Å; L972-D976 VanDerWaalsContact O-N 3.08Å; D976-L979 PolarHBondContact O-N 3.1Å; D976-M980 WeakPolarHBondContact O-CB 3.37Å; D976-M980 PolarHBondContact O-N 2.8Å |
| 977 | F | 95.9 | Very high | 93.3 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.018 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.5 | -45.7 | -179.8 | -166.5 | -97.3 | 0 | 0 | 0 | 112.2 | A965 P968 T973 I974 Q975 M980 I981 Y1006 L1142 H1144 | A965-F977 HydrophobicContact CB-CE2 4.3Å; P968-F977 HydrophobicContact CB-CB 4.42Å; P968-F977 HydrophobicContact CG-CD1 4.48Å; P968-F977 HydrophobicContact CG-CD2 4.44Å; P968-F977 HydrophobicContact CG-CG 4.27Å; T973-F977 VanDerWaalsContact O-CB 3.25Å; T973-F977 WeakPolarHBondContact O-CB 3.15Å; T973-F977 PolarHBondContact O-N 2.97Å; I974-F977 WeakPolarHBondContact O-CB 3.39Å; I974-F977 PolarHBondContact O-N 2.67Å; Q975-F977 VanDerWaalsContact C-N 3.27Å; Q975-F977 PolarHBondContact O-N 2.9Å; F977-M980 HydrophobicContact CD2-CE 4.06Å; F977-M980 HydrophobicContact CE2-CE 4.13Å; F977-M980 WeakPolarHBondContact O-CB 3.36Å; F977-M980 PolarHBondContact O-N 3.09Å; F977-I981 HydrophobicContact CD1-CD1 3.58Å; F977-I981 HydrophobicContact CE1-CD1 3.57Å; F977-I981 WeakPolarHBondContact O-CG1 3.42Å; F977-I981 PolarHBondContact O-N 3.45Å; F977-I981 VanDerWaalsContact O-N 3.12Å; F977-Y1006 HydrophobicContact CD1-CD2 4.12Å; F977-Y1006 HydrophobicContact CD1-CE2 4.09Å; F977-Y1006 HydrophobicContact CE1-CD2 4.07Å; F977-Y1006 HydrophobicContact CE1-CE1 4.31Å; F977-Y1006 AromaticContact CE1-CE2 3.57Å; F977-Y1006 HydrophobicContact CE1-CE2 3.57Å; F977-Y1006 AromaticContact CE1-CZ 3.69Å; F977-L1142 HydrophobicContact CE1-CD2 3.99Å; F977-L1142 HydrophobicContact CE2-CD2 4.13Å; F977-L1142 HydrophobicContact CZ-CD2 3.57Å; F977-L1142 HydrophobicContact CZ-CG 4.41Å; F977-H1144 AromaticContact CZ-CD2 3.84Å |
| 978 | W | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.6 | -35.2 | 175.5 | -77.4 | 114.9 | 0 | 0 | 0 | 112.8 | I974 Q975 M980 I981 F982 I989 Y1006 F1028 I1031 V1033 F1049 V1051 | I974-W978 PolarHBondContact O-N 3.02Å; Q975-W978 PolarHBondContact O-N 3.12Å; W978-M980 VanDerWaalsContact C-N 3.32Å; W978-M980 PolarHBondContact O-N 3.11Å; W978-I981 HydrophobicContact CD2-CD1 4.12Å; W978-I981 HydrophobicContact CE3-CB 4.16Å; W978-I981 HydrophobicContact CE3-CD1 3.57Å; W978-I981 HydrophobicContact CE3-CG1 4.48Å; W978-I981 HydrophobicContact CE3-CG2 4.02Å; W978-I981 HydrophobicContact CH2-CD1 4.47Å; W978-I981 HydrophobicContact CZ3-CD1 3.77Å; W978-I981 HydrophobicContact CZ3-CG2 4.09Å; W978-I981 PolarHBondContact O-N 2.9Å; W978-F982 PolarHBondContact O-N 2.73Å; W978-I989 HydrophobicContact CH2-CD1 4.3Å; W978-I989 HydrophobicContact CZ3-CD1 4.34Å; W978-Y1006 AromaticContact CE2-CD2 3.98Å; W978-Y1006 AromaticContact CZ2-CD2 3.79Å; W978-Y1006 HydrophobicContact CZ2-CD2 3.79Å; W978-Y1006 HydrophobicContact CZ2-CE2 4.12Å; W978-Y1006 AromaticContact NE1-CD2 3.96Å; W978-Y1006 PolarHBondContact NE1-O 2.94Å; W978-F1028 AromaticContact CD1-CD2 3.42Å; W978-F1028 VanDerWaalsContact CD1-CD2 3.42Å; W978-F1028 AromaticContact CD1-CE2 3.9Å; W978-F1028 AromaticContact CD1-CG 3.74Å; W978-F1028 HydrophobicContact CG-CD2 4.23Å; W978-F1028 AromaticContact NE1-CD2 3.5Å; W978-F1028 AromaticContact NE1-CE2 3.46Å; W978-I1031 VanDerWaalsContact C-CD1 3.44Å; W978-I1031 HydrophobicContact CB-CD1 4.04Å; W978-I1031 HydrophobicContact CB-CG2 4.24Å; W978-I1031 WeakPolarHBondContact O-CD1 3.33Å; W978-V1033 HydrophobicContact CD2-CG2 3.68Å; W978-V1033 HydrophobicContact CE3-CG2 3.92Å; W978-V1033 HydrophobicContact CG-CG2 4.22Å; W978-V1033 HydrophobicContact CH2-CG1 3.78Å; W978-V1033 HydrophobicContact CH2-CG2 4.1Å; W978-V1033 HydrophobicContact CZ2-CB 4.4Å; W978-V1033 HydrophobicContact CZ2-CG1 3.8Å; W978-V1033 HydrophobicContact CZ2-CG2 3.86Å; W978-V1033 HydrophobicContact CZ3-CG1 4.39Å; W978-V1033 HydrophobicContact CZ3-CG2 4.12Å; W978-F1049 HydrophobicContact CH2-CD2 4.01Å; W978-F1049 HydrophobicContact CH2-CE2 4.35Å; W978-V1051 HydrophobicContact CE3-CG1 4.31Å; W978-V1051 HydrophobicContact CE3-CG2 4.14Å; W978-V1051 HydrophobicContact CH2-CG2 4.39Å; W978-V1051 HydrophobicContact CZ3-CG2 3.62Å |
| 979 | L | 92.7 | Very high | 93.6 | Very high | 36 Ų | 36 | 31.4 Ų | 31.4 | 19% | 0.188 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.7 | -43 | 172.9 | -177.4 | 62.1 | 0 | 0 | 0 | 111.3 | L936 Q975 D976 I981 F982 Q983 I1031 | L936-L979 HydrophobicContact CB-CD2 4.29Å; L936-L979 HydrophobicContact CD1-CD2 4.39Å; L936-L979 HydrophobicContact CD2-CD2 4.5Å; L936-L979 HydrophobicContact CD2-CG 4.37Å; Q975-L979 WeakPolarHBondContact O-CB 3.43Å; Q975-L979 PolarHBondContact O-N 3.44Å; D976-L979 PolarHBondContact O-N 3.1Å; L979-I981 PolarHBondContact O-N 3.44Å; L979-F982 PolarHBondContact O-N 2.61Å; L979-Q983 WeakPolarHBondContact O-CB 3.38Å; L979-Q983 PolarHBondContact O-N 2.91Å; L979-I1031 HydrophobicContact CB-CD1 4.31Å; L979-I1031 HydrophobicContact CD1-CD1 4.47Å |
| 980 | M | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.5 | -45.9 | 173.1 | -179 | 179.1 | 64.2 | 0 | 0 | 112.1 | V934 L936 I948 A950 I963 A965 D976 F977 W978 F982 C984 I986 L1142 | V934-M980 HydrophobicContact CB-SD 4.34Å; V934-M980 HydrophobicContact CG1-CG 3.99Å; V934-M980 HydrophobicContact CG1-SD 4.17Å; V934-M980 HydrophobicContact CG2-SD 4.2Å; L936-M980 HydrophobicContact CD2-CB 3.91Å; I948-M980 HydrophobicContact CD1-CB 3.99Å; I948-M980 HydrophobicContact CD1-CE 4.2Å; I948-M980 HydrophobicContact CD1-SD 3.9Å; I948-M980 HydrophobicContact CG2-SD 4.45Å; A950-M980 HydrophobicContact CB-CE 4.5Å; A950-M980 HydrophobicContact CB-SD 3.62Å; I963-M980 HydrophobicContact CG2-CE 4.4Å; I963-M980 HydrophobicContact CG2-SD 3.97Å; A965-M980 HydrophobicContact CB-CE 4.14Å; D976-M980 WeakPolarHBondContact O-CB 3.37Å; D976-M980 PolarHBondContact O-N 2.8Å; F977-M980 HydrophobicContact CD2-CE 4.06Å; F977-M980 HydrophobicContact CE2-CE 4.13Å; F977-M980 WeakPolarHBondContact O-CB 3.36Å; F977-M980 PolarHBondContact O-N 3.09Å; W978-M980 VanDerWaalsContact C-N 3.32Å; W978-M980 PolarHBondContact O-N 3.11Å; M980-F982 VanDerWaalsContact C-N 3.34Å; M980-F982 PolarHBondContact O-N 3.07Å; M980-C984 VanDerWaalsContact O-CB 3.25Å; M980-C984 WeakPolarHBondContact O-CB 3.38Å; M980-C984 PolarHBondContact O-N 2.9Å; M980-C984 PolarHBondContact O-SG 3.17Å; M980-I986 HydrophobicContact CG-CD1 4.46Å; M980-L1142 HydrophobicContact CE-CD1 3.65Å; M980-L1142 HydrophobicContact CE-CD2 3.88Å; M980-L1142 HydrophobicContact CE-CG 4.45Å |
| 981 | I | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.1 | -45.1 | -179.6 | -73.7 | 160.5 | 0 | 0 | 0 | 111.1 | F977 W978 L979 N985 I986 I989 Q1060 V1062 L1142 | F977-I981 HydrophobicContact CD1-CD1 3.58Å; F977-I981 HydrophobicContact CE1-CD1 3.57Å; F977-I981 WeakPolarHBondContact O-CG1 3.42Å; F977-I981 PolarHBondContact O-N 3.45Å; F977-I981 VanDerWaalsContact O-N 3.12Å; W978-I981 HydrophobicContact CD2-CD1 4.12Å; W978-I981 HydrophobicContact CE3-CB 4.16Å; W978-I981 HydrophobicContact CE3-CD1 3.57Å; W978-I981 HydrophobicContact CE3-CG1 4.48Å; W978-I981 HydrophobicContact CE3-CG2 4.02Å; W978-I981 HydrophobicContact CH2-CD1 4.47Å; W978-I981 HydrophobicContact CZ3-CD1 3.77Å; W978-I981 HydrophobicContact CZ3-CG2 4.09Å; W978-I981 PolarHBondContact O-N 2.9Å; L979-I981 PolarHBondContact O-N 3.44Å; I981-N985 PolarHBondContact O-N 2.87Å; I981-I986 HydrophobicContact CB-CB 4.42Å; I981-I986 HydrophobicContact CG1-CB 4.48Å; I981-I986 HydrophobicContact CG1-CD1 4.18Å; I981-I986 HydrophobicContact CG2-CB 4.15Å; I981-I986 PolarHBondContact O-N 2.87Å; I981-I989 HydrophobicContact CD1-CD1 3.55Å; I981-I989 HydrophobicContact CD1-CG1 4.33Å; I981-I989 HydrophobicContact CG1-CD1 4.36Å; I981-Q1060 PolarHBondContact O-NE2 3.48Å; I981-V1062 HydrophobicContact CG2-CG1 4.5Å; I981-V1062 HydrophobicContact CG2-CG2 4.17Å; I981-L1142 HydrophobicContact CD1-CD2 4.02Å; I981-L1142 HydrophobicContact CG1-CD2 3.72Å |
| 982 | F | 92.4 | Very high | 94.4 | Very high | 33 Ų | 33 | 22 Ų | 22 | 15% | 0.145 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -69.2 | -51.5 | 178.5 | -165.1 | -96.1 | 0 | 0 | 0 | 111.8 | W978 L979 M980 C984 N985 I1031 V1051 E1053 I1058 Q1060 | W978-F982 PolarHBondContact O-N 2.73Å; L979-F982 PolarHBondContact O-N 2.61Å; M980-F982 VanDerWaalsContact C-N 3.34Å; M980-F982 PolarHBondContact O-N 3.07Å; F982-C984 VanDerWaalsContact C-N 3.31Å; F982-C984 PolarHBondContact O-N 3.46Å; F982-N985 PolarHBondContact O-N 3.46Å; F982-N985 VanDerWaalsContact O-N 3.11Å; F982-I1031 HydrophobicContact CB-CD1 4.02Å; F982-V1051 HydrophobicContact CD2-CG1 4.25Å; F982-E1053 HydrophobicContact CD1-CB 4.1Å; F982-E1053 HydrophobicContact CD2-CB 4.32Å; F982-E1053 HydrophobicContact CE1-CB 3.52Å; F982-E1053 HydrophobicContact CE1-CG 4.09Å; F982-E1053 WeakPolarHBondContact CE1-OE2 3.1Å; F982-E1053 HydrophobicContact CE2-CB 3.77Å; F982-E1053 HydrophobicContact CG-CB 4.47Å; F982-E1053 HydrophobicContact CZ-CB 3.34Å; F982-E1053 HydrophobicContact CZ-CG 4.36Å; F982-I1058 HydrophobicContact CE2-CG2 4.5Å; F982-I1058 WeakPolarHBondContact CE2-O 3.38Å; F982-I1058 HydrophobicContact CZ-CB 4.02Å; F982-I1058 HydrophobicContact CZ-CG2 4.02Å; F982-Q1060 HydrophobicContact CD2-CG 4.25Å; F982-Q1060 HydrophobicContact CE2-CG 4.42Å |
| 983 | Q | 93 | Very high | 94.4 | Very high | 64 Ų | 64 | 17.5 Ų | 17.5 | 30% | 0.299 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -60.9 | -37.5 | -177.6 | -175 | -172.6 | -47.1 | 0 | 0 | 113 | K935 L979 N985 | K935-Q983 PolarHBondContact O-NE2 2.82Å; L979-Q983 WeakPolarHBondContact O-CB 3.38Å; L979-Q983 PolarHBondContact O-N 2.91Å; Q983-N985 VanDerWaalsContact C-N 3.32Å |
| 984 | C | 94.4 | Very high | 94.1 | Very high | 21 Ų | 21 | 18.8 Ų | 18.8 | 14% | 0.142 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 5.2 | -178.7 | -62.5 | 0 | 0 | 0 | 0 | 113.3 | I963 M980 F982 I986 P1140 | I963-C984 HydrophobicContact CD1-CB 4.05Å; M980-C984 VanDerWaalsContact O-CB 3.25Å; M980-C984 WeakPolarHBondContact O-CB 3.38Å; M980-C984 PolarHBondContact O-N 2.9Å; M980-C984 PolarHBondContact O-SG 3.17Å; F982-C984 VanDerWaalsContact C-N 3.31Å; F982-C984 PolarHBondContact O-N 3.46Å; C984-I986 VanDerWaalsContact C-N 3.29Å; C984-I986 HydrophobicContact CB-CD1 4.04Å; C984-I986 HydrophobicContact CB-CG1 3.81Å; C984-I986 PolarHBondContact O-N 2.68Å; C984-P1140 HydrophobicContact CB-CG 4.27Å; C984-P1140 VanDerWaalsContact O-CD 3.29Å; C984-P1140 WeakPolarHBondContact O-CD 3.28Å |
| 985 | N | 93.3 | Very high | 93.6 | Very high | 90 Ų | 90 | 20.6 Ų | 20.6 | 48% | 0.481 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 44.2 | -176.8 | -169.1 | 43.6 | 0 | 0 | 0 | 112.3 | I981 F982 Q983 A987 Q1060 G1139 | I981-N985 PolarHBondContact O-N 2.87Å; F982-N985 PolarHBondContact O-N 3.46Å; F982-N985 VanDerWaalsContact O-N 3.11Å; Q983-N985 VanDerWaalsContact C-N 3.32Å; N985-A987 PolarHBondContact O-N 2.88Å; N985-Q1060 PolarHBondContact OD1-OE1 2.8Å; N985-G1139 WeakPolarHBondContact O-CA 3.45Å; N985-G1139 PolarHBondContact O-N 2.91Å; N985-G1139 VanDerWaalsContact O-N 3.13Å |
| 986 | I | 95.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -78 | 112.2 | -177.5 | -62.1 | 175.7 | 0 | 0 | 0 | 108.8 | I963 M980 I981 C984 Q988 I989 V1062 P1140 L1142 | I963-I986 HydrophobicContact CD1-CD1 3.77Å; I963-I986 HydrophobicContact CD1-CG1 4.46Å; M980-I986 HydrophobicContact CG-CD1 4.46Å; I981-I986 HydrophobicContact CB-CB 4.42Å; I981-I986 HydrophobicContact CG1-CB 4.48Å; I981-I986 HydrophobicContact CG1-CD1 4.18Å; I981-I986 HydrophobicContact CG2-CB 4.15Å; I981-I986 PolarHBondContact O-N 2.87Å; C984-I986 VanDerWaalsContact C-N 3.29Å; C984-I986 HydrophobicContact CB-CD1 4.04Å; C984-I986 HydrophobicContact CB-CG1 3.81Å; C984-I986 PolarHBondContact O-N 2.68Å; I986-Q988 WeakPolarHBondContact CG2-O 3.31Å; I986-I989 HydrophobicContact CG2-CG1 4.42Å; I986-V1062 WeakPolarHBondContact O-CG2 3.4Å; I986-P1140 HydrophobicContact CG1-CG 4.19Å; I986-L1142 HydrophobicContact CD1-CB 3.96Å; I986-L1142 HydrophobicContact CD1-CD2 4.1Å; I986-L1142 HydrophobicContact CD1-CG 4.44Å; I986-L1142 HydrophobicContact CG2-CB 3.72Å | ||
| 987 | A | 95.1 | Very high | 91.9 | Very high | 18 Ų | 18 | 22.6 Ų | 22.6 | 15% | 0.149 | 12% | 0.121 | C | C | . | . | trans | -86.9 | -17.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N985 V1062 I1063 D1138 | N985-A987 PolarHBondContact O-N 2.88Å; A987-V1062 CarbonylContact O-C 3.5Å; A987-V1062 WeakPolarHBondContact O-CA 3.11Å; A987-I1063 PolarHBondContact O-N 3.22Å; A987-D1138 HydrophobicContact CB-CB 4.11Å; A987-D1138 WeakPolarHBondContact CB-OD1 3.38Å | ||
| 988 | Q | 97.2 | Very high | 90.6 | Very high | 6 Ų | 6 | 24.5 Ų | 24.5 | 3% | 0.028 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 135.2 | -172.9 | -67.2 | 179.3 | 68 | 0 | 0 | 113.4 | I986 I1063 Y1065 V1130 T1134 D1138 L1141 L1142 | I986-Q988 WeakPolarHBondContact CG2-O 3.31Å; Q988-I1063 CarbonylContact C-O 3.51Å; Q988-I1063 VanDerWaalsContact CA-O 3.3Å; Q988-I1063 WeakPolarHBondContact CA-O 3.25Å; Q988-I1063 HydrophobicContact CG-CB 4.47Å; Q988-Y1065 HydrophobicContact CG-CE2 4.36Å; Q988-V1130 PolarHBondContact OE1-O 3.3Å; Q988-T1134 PolarHBondContact NE2-OG1 2.91Å; Q988-T1134 VanDerWaalsContact NE2-OG1 3.07Å; Q988-T1134 PolarHBondContact OE1-OG1 2.82Å; Q988-D1138 PolarHBondContact NE2-OD2 2.83Å; Q988-L1141 HydrophobicContact CB-CD1 3.5Å; Q988-L1142 PolarHBondContact O-N 2.96Å; Q988-L1142 VanDerWaalsContact O-N 3.15Å |
| 989 | I | 97.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 129.8 | 179.6 | -48.7 | 172.1 | 0 | 0 | 0 | 109.8 | W978 I981 I986 Y1006 V1062 I1063 H1064 Y1065 L1142 | W978-I989 HydrophobicContact CH2-CD1 4.3Å; W978-I989 HydrophobicContact CZ3-CD1 4.34Å; I981-I989 HydrophobicContact CD1-CD1 3.55Å; I981-I989 HydrophobicContact CD1-CG1 4.33Å; I981-I989 HydrophobicContact CG1-CD1 4.36Å; I986-I989 HydrophobicContact CG2-CG1 4.42Å; I989-Y1006 WeakPolarHBondContact CG2-OH 3.06Å; I989-V1062 HydrophobicContact CD1-CG1 3.72Å; I989-V1062 HydrophobicContact CG1-CG1 3.83Å; I989-I1063 PolarHBondContact N-O 2.87Å; I989-H1064 HydrophobicContact CB-CB 4.4Å; I989-Y1065 WeakPolarHBondContact O-CD2 3.42Å; I989-Y1065 PolarHBondContact O-N 3Å; I989-L1142 CarbonylContact C-O 3.47Å; I989-L1142 WeakPolarHBondContact CA-O 3.3Å; I989-L1142 HydrophobicContact CG1-CD2 4.23Å; I989-L1142 HydrophobicContact CG2-CD2 4.08Å; I989-L1142 HydrophobicContact CG2-CG 4.27Å |
| 990 | V | 97.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 105.6 | 177.1 | 177.4 | 0 | 0 | 0 | 0 | 108.6 | L992 F1126 V1130 L1141 L1142 V1143 H1144 Y1155 | V990-L992 HydrophobicContact CG1-CD1 4.45Å; V990-L992 HydrophobicContact CG1-CD2 3.81Å; V990-L992 HydrophobicContact CG1-CG 4Å; V990-F1126 HydrophobicContact CG1-CE1 3.86Å; V990-F1126 HydrophobicContact CG1-CZ 3.77Å; V990-V1130 HydrophobicContact CG2-CG1 3.89Å; V990-V1130 HydrophobicContact CG2-CG2 4.04Å; V990-L1141 HydrophobicContact CG2-CD1 3.87Å; V990-L1141 HydrophobicContact CG2-CD2 4.29Å; V990-L1141 HydrophobicContact CG2-CG 4.22Å; V990-L1142 PolarHBondContact N-O 2.66Å; V990-V1143 HydrophobicContact CB-CB 4.39Å; V990-V1143 HydrophobicContact CB-CG1 4.16Å; V990-V1143 HydrophobicContact CB-CG2 4.18Å; V990-V1143 HydrophobicContact CG1-CG1 3.99Å; V990-V1143 CarbonylContact O-C 3.47Å; V990-V1143 WeakPolarHBondContact O-CA 3.32Å; V990-H1144 PolarHBondContact O-N 2.76Å; V990-Y1155 HydrophobicContact CG1-CD2 4.2Å; V990-Y1155 HydrophobicContact CG1-CE1 4.36Å; V990-Y1155 HydrophobicContact CG1-CE2 4.04Å; V990-Y1155 HydrophobicContact CG1-CG 4.46Å |
| 991 | M | 96.4 | Very high | 88 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 120 | 176 | -179.8 | 171.8 | 178.7 | 0 | 0 | 110.1 | T993 C1003 Y1006 W1007 Y1065 Q1066 F1067 H1144 | M991-T993 HydrophobicContact CE-CG2 3.93Å; M991-T993 WeakPolarHBondContact CE-O 3.47Å; M991-T993 HydrophobicContact CG-CG2 4.34Å; M991-C1003 HydrophobicContact CE-CB 3.63Å; M991-C1003 WeakPolarHBondContact CE-SG 3.41Å; M991-Y1006 HydrophobicContact SD-CE1 4.19Å; M991-W1007 HydrophobicContact CE-CH2 3.94Å; M991-W1007 HydrophobicContact CE-CZ3 4.18Å; M991-W1007 HydrophobicContact SD-CH2 3.67Å; M991-W1007 HydrophobicContact SD-CZ3 3.66Å; M991-Y1065 PolarHBondContact N-O 2.84Å; M991-Q1066 HydrophobicContact CB-CB 4.33Å; M991-Q1066 HydrophobicContact CB-CG 4.26Å; M991-Q1066 HydrophobicContact CG-CG 4.05Å; M991-Q1066 WeakPolarHBondContact O-CA 3.48Å; M991-Q1066 HydrophobicContact SD-CG 3.91Å; M991-F1067 PolarHBondContact O-N 2.93Å; M991-H1144 WeakPolarHBondContact CB-NE2 3.38Å; M991-H1144 VanDerWaalsContact CG-CE1 3.47Å; M991-H1144 WeakPolarHBondContact CG-CE1 3.12Å |
| 992 | L | 93.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -110.4 | 25.1 | -174.4 | -58.8 | 171 | 0 | 0 | 0 | 113 | V990 F1067 W1070 F1123 F1126 V1143 H1144 C1145 R1151 Y1155 | V990-L992 HydrophobicContact CG1-CD1 4.45Å; V990-L992 HydrophobicContact CG1-CD2 3.81Å; V990-L992 HydrophobicContact CG1-CG 4Å; L992-F1067 HydrophobicContact CD2-CB 4.24Å; L992-W1070 HydrophobicContact CB-CE3 4.31Å; L992-W1070 HydrophobicContact CB-CZ3 4.37Å; L992-W1070 HydrophobicContact CD1-CZ3 4.32Å; L992-W1070 HydrophobicContact CD2-CE3 4.48Å; L992-W1070 HydrophobicContact CD2-CZ3 4.31Å; L992-F1123 HydrophobicContact CD2-CE2 4.32Å; L992-F1126 HydrophobicContact CD2-CE1 3.78Å; L992-F1126 HydrophobicContact CD2-CZ 4.17Å; L992-V1143 HydrophobicContact CD1-CG1 3.78Å; L992-H1144 PolarHBondContact N-O 3.44Å; L992-C1145 HydrophobicContact CB-CB 4.32Å; L992-R1151 HydrophobicContact CB-CB 4.03Å; L992-R1151 HydrophobicContact CD1-CB 4.18Å; L992-R1151 WeakPolarHBondContact CD1-O 3.5Å; L992-R1151 WeakPolarHBondContact O-CD 3.23Å; L992-R1151 PolarHBondContact O-NH1 2.8Å; L992-Y1155 HydrophobicContact CD1-CG 4.25Å; L992-Y1155 HydrophobicContact CD2-CD2 4.31Å | ||
| 993 | T | 88.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -144.7 | 155.7 | -177.2 | -165 | 0 | 0 | 0 | 0 | 110.7 | M991 E997 K1002 C1003 R1151 | M991-T993 HydrophobicContact CE-CG2 3.93Å; M991-T993 WeakPolarHBondContact CE-O 3.47Å; M991-T993 HydrophobicContact CG-CG2 4.34Å; T993-E997 WeakPolarHBondContact CA-OE1 3.37Å; T993-E997 WeakPolarHBondContact CB-OE1 3.47Å; T993-E997 VanDerWaalsContact OG1-CD 3.27Å; T993-E997 PolarHBondContact OG1-OE1 2.81Å; T993-K1002 WeakPolarHBondContact OG1-CB 3.32Å; T993-C1003 HydrophobicContact CG2-CB 3.95Å; T993-R1151 PolarHBondContact OG1-NH1 2.97Å |
| 994 | N | 86.1 | Confident | 87 | Confident | 37 Ų | 37 | 34 Ų | 34 | 20% | 0.198 | 20% | 0.197 | C | C | . | . | trans | -80.3 | 166.7 | 165.2 | -68.6 | -39.8 | 0 | 0 | 0 | 111.2 | I996 E997 Y1068 | N994-I996 VanDerWaalsContact C-N 3.3Å; N994-I996 WeakPolarHBondContact CB-O 3.44Å; N994-E997 HydrophobicContact CB-CG 3.7Å; N994-E997 PolarHBondContact N-OE1 3.33Å; N994-Y1068 PolarHBondContact ND2-O 3.43Å; N994-Y1068 WeakPolarHBondContact OD1-CA 2.94Å; N994-Y1068 WeakPolarHBondContact OD1-CB 3.34Å | ||
| 995 | T | 83.3 | Confident | 86.9 | Confident | 50 Ų | 50 | 37.6 Ų | 37.6 | 31% | 0.307 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -64.6 | -41.9 | 171.4 | 49.4 | 0 | 0 | 0 | 0 | 110.7 | K1002 C1003 | T995-K1002 PolarHBondContact O-N 2.84Å; T995-C1003 CarbonylContact C-O 3.49Å; T995-C1003 WeakPolarHBondContact CA-O 3.43Å; T995-C1003 WeakPolarHBondContact CB-O 3.36Å; T995-C1003 PolarHBondContact O-N 3.43Å |
| 996 | I | 78 | Confident | 86.9 | Confident | 105 Ų | 105 | 33.3 Ų | 33.3 | 54% | 0.538 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 128.5 | 177.8 | -56.4 | 170.4 | 0 | 0 | 0 | 108.6 | N994 T1000 L1001 | N994-I996 VanDerWaalsContact C-N 3.3Å; N994-I996 WeakPolarHBondContact CB-O 3.44Å; I996-T1000 WeakPolarHBondContact CA-O 3.5Å; I996-L1001 HydrophobicContact CG1-CD1 4.36Å |
| 997 | E | 73 | Confident | 86.8 | Confident | 10 Ų | 10 | 33.5 Ų | 33.5 | 5% | 0.047 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 137.9 | 172.5 | -60.3 | 174 | -177.3 | 0 | 0 | 108.3 | T993 N994 S999 T1000 K1002 R1151 | T993-E997 WeakPolarHBondContact CA-OE1 3.37Å; T993-E997 WeakPolarHBondContact CB-OE1 3.47Å; T993-E997 VanDerWaalsContact OG1-CD 3.27Å; T993-E997 PolarHBondContact OG1-OE1 2.81Å; N994-E997 HydrophobicContact CB-CG 3.7Å; N994-E997 PolarHBondContact N-OE1 3.33Å; E997-S999 PolarHBondContact O-N 3.03Å; E997-T1000 PolarHBondContact N-O 3.31Å; E997-T1000 WeakPolarHBondContact O-CA 3.34Å; E997-T1000 PolarHBondContact O-N 3.04Å; E997-T1000 VanDerWaalsContact O-O 3.09Å; E997-T1000 PolarHBondContact O-OG1 2.69Å; E997-K1002 HydrophobicContact CB-CG 3.76Å; E997-K1002 HydrophobicContact CG-CG 3.93Å; E997-R1151 VanDerWaalsContact CD-NH1 3.34Å; E997-R1151 IonicContact OE1-CZ 3.2Å; E997-R1151 IonicContact OE1-NH1 3.68Å; E997-R1151 PolarHBondContact OE1-NH1 3.43Å; E997-R1151 IonicContact OE1-NH2 3.45Å; E997-R1151 IonicContact OE2-CZ 2.96Å; E997-R1151 VanDerWaalsContact OE2-CZ 3.31Å; E997-R1151 IonicContact OE2-NH1 2.74Å; E997-R1151 PolarHBondContact OE2-NH1 2.76Å; E997-R1151 VanDerWaalsContact OE2-NH1 3.11Å; E997-R1151 IonicContact OE2-NH2 3.11Å; E997-R1151 PolarHBondContact OE2-NH2 2.9Å |
| 998 | D | 68.6 | Low | 86.6 | Confident | 44 Ų | 44 | 32.9 Ų | 32.9 | 24% | 0.235 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 46.2 | 179.5 | -50.9 | -34.6 | 0 | 0 | 0 | 112.2 | T1000 T1072 | D998-T1000 PolarHBondContact O-N 2.76Å; D998-T1072 WeakPolarHBondContact OD2-CB 3.35Å; D998-T1072 PolarHBondContact OD2-OG1 3.18Å |
| 999 | S | 71.4 | Confident | 86.1 | Confident | 118 Ų | 118 | 34.4 Ų | 34.4 | 83% | 0.825 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 12.6 | -174.1 | 62.4 | 0 | 0 | 0 | 0 | 116.3 | E997 | E997-S999 PolarHBondContact O-N 3.03Š|
| 1000 | T | 75.3 | Confident | 85 | Confident | 60 Ų | 60 | 37.5 Ų | 37.5 | 37% | 0.368 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 138 | 176.4 | 61.8 | 0 | 0 | 0 | 0 | 111.4 | I996 E997 D998 K1002 | I996-T1000 WeakPolarHBondContact CA-O 3.5Å; E997-T1000 PolarHBondContact N-O 3.31Å; E997-T1000 WeakPolarHBondContact O-CA 3.34Å; E997-T1000 PolarHBondContact O-N 3.04Å; E997-T1000 VanDerWaalsContact O-O 3.09Å; E997-T1000 PolarHBondContact O-OG1 2.69Å; D998-T1000 PolarHBondContact O-N 2.76Å; T1000-K1002 PolarHBondContact O-N 2.83Å; T1000-K1002 WeakPolarHBondContact OG1-CE 3.08Å; T1000-K1002 PolarHBondContact OG1-NZ 2.88Å |
| 1001 | L | 80.6 | Confident | 83.5 | Confident | 96 Ų | 96 | 40.9 Ų | 40.9 | 50% | 0.503 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 114.9 | 171.5 | -174.5 | 74 | 0 | 0 | 0 | 108.7 | I996 | I996-L1001 HydrophobicContact CG1-CD1 4.36Å |
| 1002 | K | 83.8 | Confident | 81.6 | Confident | 40 Ų | 40 | 46.4 Ų | 46.4 | 17% | 0.174 | 26% | 0.261 | C | S | . | . | trans | -99.3 | -31.2 | 178.1 | -64.2 | -51.8 | -166.6 | -160 | 0 | 112.8 | H922 T993 T995 E997 T1000 | H922-K1002 PolarHBondContact CE1-O 2.87Å; T993-K1002 WeakPolarHBondContact OG1-CB 3.32Å; T995-K1002 PolarHBondContact O-N 2.84Å; E997-K1002 HydrophobicContact CB-CG 3.76Å; E997-K1002 HydrophobicContact CG-CG 3.93Å; T1000-K1002 PolarHBondContact O-N 2.83Å; T1000-K1002 WeakPolarHBondContact OG1-CE 3.08Å; T1000-K1002 PolarHBondContact OG1-NZ 2.88Å | ||
| 1003 | C | 89.2 | Confident | 79.5 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -152.2 | 133.6 | -179.6 | -170.6 | 0 | 0 | 0 | 0 | 108.6 | S967 M991 T993 T995 | S967-C1003 WeakPolarHBondContact CB-SG 3.35Å; S967-C1003 WeakPolarHBondContact OG-CB 3.17Å; S967-C1003 PolarHBondContact OG-SG 3.12Å; M991-C1003 HydrophobicContact CE-CB 3.63Å; M991-C1003 WeakPolarHBondContact CE-SG 3.41Å; T993-C1003 HydrophobicContact CG2-CB 3.95Å; T995-C1003 CarbonylContact C-O 3.49Å; T995-C1003 WeakPolarHBondContact CA-O 3.43Å; T995-C1003 WeakPolarHBondContact CB-O 3.36Å; T995-C1003 PolarHBondContact O-N 3.43Å | ||
| 1004 | C | 88.9 | Confident | 77.3 | Confident | 20 Ų | 20 | 61.9 Ų | 61.9 | 14% | 0.135 | 33% | 0.331 | C | S | . | . | trans | -74.2 | 154.9 | 166 | 62.9 | 0 | 0 | 0 | 0 | 109.8 | P968 F969 I974 Y1006 | P968-C1004 PolarHBondContact O-N 3.25Å; P968-C1004 PolarHBondContact O-SG 3.5Å; F969-C1004 PolarHBondContact N-SG 2.73Å; I974-C1004 VanDerWaalsContact CD1-SG 3.53Å; I974-C1004 VanDerWaalsContact CG1-SG 3.57Å; C1004-Y1006 PolarHBondContact O-N 2.86Å | ||
| 1005 | Q | 90.8 | Very high | 75.1 | Confident | 95 Ų | 95 | 68.3 Ų | 68.3 | 44% | 0.444 | 37% | 0.365 | S | S | . | . | trans | -72.4 | 113.3 | 169.3 | 178.7 | 179.9 | -22.1 | 0 | 0 | 108.2 | W1007 | Q1005-W1007 HydrophobicContact CG-CD2 4Å; Q1005-W1007 HydrophobicContact CG-CE3 4.43Å; Q1005-W1007 HydrophobicContact CG-CG 4.37Å; Q1005-W1007 HydrophobicContact CG-CZ2 4.11Å; Q1005-W1007 WeakPolarHBondContact CG-O 3.11Å; Q1005-W1007 PolarHBondContact NE2-O 2.97Å | ||
| 1006 | Y | 93.9 | Very high | 73.2 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 38% | 0.377 | C | S | . | . | trans | -105.4 | 12.9 | -176.5 | 62.4 | -96.9 | 0 | 0 | 0 | 113.2 | P968 F977 W978 I989 M991 C1004 F1028 H1064 H1144 | P968-Y1006 HydrophobicContact CG-CD1 3.43Å; P968-Y1006 VanDerWaalsContact CG-CD1 3.43Å; P968-Y1006 HydrophobicContact CG-CE1 4.14Å; P968-Y1006 HydrophobicContact CG-CG 3.79Å; F977-Y1006 HydrophobicContact CD1-CD2 4.12Å; F977-Y1006 HydrophobicContact CD1-CE2 4.09Å; F977-Y1006 HydrophobicContact CE1-CD2 4.07Å; F977-Y1006 HydrophobicContact CE1-CE1 4.31Å; F977-Y1006 AromaticContact CE1-CE2 3.57Å; F977-Y1006 HydrophobicContact CE1-CE2 3.57Å; F977-Y1006 AromaticContact CE1-CZ 3.69Å; W978-Y1006 AromaticContact CE2-CD2 3.98Å; W978-Y1006 AromaticContact CZ2-CD2 3.79Å; W978-Y1006 HydrophobicContact CZ2-CD2 3.79Å; W978-Y1006 HydrophobicContact CZ2-CE2 4.12Å; W978-Y1006 AromaticContact NE1-CD2 3.96Å; W978-Y1006 PolarHBondContact NE1-O 2.94Å; I989-Y1006 WeakPolarHBondContact CG2-OH 3.06Å; M991-Y1006 HydrophobicContact SD-CE1 4.19Å; C1004-Y1006 PolarHBondContact O-N 2.86Å; Y1006-F1028 WeakPolarHBondContact O-CE2 3.43Å; Y1006-F1028 VanDerWaalsContact O-CZ 3.28Å; Y1006-F1028 WeakPolarHBondContact O-CZ 3.37Å; Y1006-H1064 AromaticContact CZ-CD2 3.95Å; Y1006-H1064 AromaticContact CZ-NE2 3.7Å; Y1006-H1064 PolarHBondContact OH-CD2 3.06Å; Y1006-H1064 PolarHBondContact OH-NE2 3.38Å; Y1006-H1144 AromaticContact CE1-CE1 3.72Å; Y1006-H1144 AromaticContact CE1-NE2 3.82Å; Y1006-H1144 AromaticContact CZ-NE2 3.69Å; Y1006-H1144 PolarHBondContact OH-NE2 2.93Å | ||
| 1007 | W | 94 | Very high | 71.6 | Confident | 5 Ų | 5 | 73.8 Ų | 73.8 | 2% | 0.019 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -134.7 | 154 | -175.7 | 62.8 | 85.6 | 0 | 0 | 0 | 111.9 | M991 Q1005 E1009 F1049 | M991-W1007 HydrophobicContact CE-CH2 3.94Å; M991-W1007 HydrophobicContact CE-CZ3 4.18Å; M991-W1007 HydrophobicContact SD-CH2 3.67Å; M991-W1007 HydrophobicContact SD-CZ3 3.66Å; Q1005-W1007 HydrophobicContact CG-CD2 4Å; Q1005-W1007 HydrophobicContact CG-CE3 4.43Å; Q1005-W1007 HydrophobicContact CG-CG 4.37Å; Q1005-W1007 HydrophobicContact CG-CZ2 4.11Å; Q1005-W1007 WeakPolarHBondContact CG-O 3.11Å; Q1005-W1007 PolarHBondContact NE2-O 2.97Å; W1007-E1009 PolarHBondContact NE1-OE2 3.05Å; W1007-E1009 VanDerWaalsContact NE1-OE2 3.12Å; W1007-F1049 HydrophobicContact CB-CE1 4.09Å; W1007-F1049 HydrophobicContact CB-CE2 4.12Å; W1007-F1049 HydrophobicContact CB-CZ 3.52Å; W1007-F1049 AromaticContact CG-CZ 3.87Å; W1007-F1049 HydrophobicContact CG-CZ 3.87Å |
| 1008 | P | 90.8 | Very high | 70.2 | Confident | 5 Ų | 5 | 80.6 Ų | 80.6 | 3% | 0.032 | 43% | 0.429 | C | S | . | . | trans | -73.1 | 148.7 | 172.1 | 31.6 | -36.1 | 0 | 0 | 0 | 111.6 | Q1026 V1033 I1035 | P1008-Q1026 HydrophobicContact CB-CB 4.13Å; P1008-V1033 HydrophobicContact CG-CG1 4.26Å; P1008-I1035 HydrophobicContact CG-CB 4.28Å; P1008-I1035 HydrophobicContact CG-CG2 4.47Å | ||
| 1009 | E | 85.4 | Confident | 68.8 | Low | 38 Ų | 38 | 86 Ų | 86 | 18% | 0.178 | 46% | 0.458 | C | S | . | . | trans | -107.7 | 144.5 | 179.5 | -161.7 | 62.3 | -143 | 0 | 0 | 110.6 | W1007 R1038 R1047 | W1007-E1009 PolarHBondContact NE1-OE2 3.05Å; W1007-E1009 VanDerWaalsContact NE1-OE2 3.12Å; E1009-R1038 WeakPolarHBondContact OE1-CD 3.11Å; E1009-R1038 IonicContact OE1-CZ 2.76Å; E1009-R1038 IonicContact OE1-NE 2.97Å; E1009-R1038 IonicContact OE1-NH1 3.82Å; E1009-R1038 PolarHBondContact OE1-NH1 2.98Å; E1009-R1047 IonicContact OE1-NE 3.73Å; E1009-R1047 IonicContact OE1-NH2 3.02Å; E1009-R1047 IonicContact OE2-CZ 3.57Å; E1009-R1047 IonicContact OE2-NE 3.31Å; E1009-R1047 PolarHBondContact OE2-NE 2.94Å; E1009-R1047 IonicContact OE2-NH2 2.67Å; E1009-R1047 PolarHBondContact OE2-NH2 3.26Å | ||
| 1010 | M | 76.3 | Confident | 67.5 | Low | 64 Ų | 64 | 87.1 Ų | 87.1 | 32% | 0.315 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 134.3 | 175.5 | -96.1 | -84.5 | -180 | 0 | 0 | 110.2 | T1012 I1035 I1036 | M1010-T1012 PolarHBondContact O-N 2.93Å; M1010-T1012 VanDerWaalsContact O-N 3.11Å; M1010-I1035 HydrophobicContact CB-CD1 4.49Å; M1010-I1035 HydrophobicContact CG-CD1 3.97Å; M1010-I1035 HydrophobicContact CG-CG1 4.22Å; M1010-I1035 HydrophobicContact CG-CG2 4.01Å; M1010-I1036 WeakPolarHBondContact CE-O 3.32Å |
| 1011 | P | 65.8 | Low | 66.1 | Low | 72 Ų | 72 | 88.9 Ų | 88.9 | 47% | 0.468 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 117.5 | 177.7 | 21.2 | -29.8 | 0 | 0 | 0 | 110.2 | R1013 T1024 | P1011-R1013 PolarHBondContact O-N 3.45Å; P1011-T1024 HydrophobicContact CG-CG2 4.15Å |
| 1012 | T | 57.1 | Low | 64.9 | Low | 115 Ų | 115 | 91.7 Ų | 91.7 | 71% | 0.706 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 126.7 | 170.4 | 39.8 | 0 | 0 | 0 | 0 | 108.7 | M1010 S1014 | M1010-T1012 PolarHBondContact O-N 2.93Å; M1010-T1012 VanDerWaalsContact O-N 3.11Å; T1012-S1014 PolarHBondContact O-N 3.34Å |
| 1013 | R | 48.1 | Very low | 63.9 | Low | 252 Ų | 252 | 93.2 Ų | 93.2 | 95% | 0.951 | 49% | 0.493 | S | S | * | . | trans | -64.6 | 80.9 | 170.9 | -69.1 | -177.7 | 179.9 | -173.9 | -0.7 | 109.6 | P1011 | P1011-R1013 PolarHBondContact O-N 3.45Š| ||
| 1014 | S | 42 | Very low | 63.6 | Low | 73 Ų | 73 | 95.5 Ų | 95.5 | 51% | 0.51 | 51% | 0.507 | S | S | . | . | trans | -83.8 | 124.7 | 169.3 | 49.8 | 0 | 0 | 0 | 0 | 108.9 | T1012 T1016 | T1012-S1014 PolarHBondContact O-N 3.34Å; S1014-T1016 PolarHBondContact O-N 3.24Å | ||
| 1015 | N | 40.9 | Very low | 63.5 | Low | 172 Ų | 172 | 96 Ų | 96 | 92% | 0.92 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -67.1 | 21.5 | 177.5 | -81.5 | -16.8 | 0 | 0 | 0 | 114.5 | ||
| 1016 | T | 43.1 | Very low | 63.5 | Low | 90 Ų | 90 | 95 Ų | 95 | 55% | 0.552 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -105.5 | 122.6 | 178.8 | 44.3 | 0 | 0 | 0 | 0 | 108.4 | S1014 Q1018 | S1014-T1016 PolarHBondContact O-N 3.24Å; T1016-Q1018 PolarHBondContact O-N 2.79Å |
| 1017 | N | 45.2 | Very low | 63.3 | Low | 181 Ų | 181 | 101.6 Ų | 101.6 | 97% | 0.968 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -62.2 | 27.2 | 176.4 | -72.9 | -25.3 | 0 | 0 | 0 | 114.4 | ||
| 1018 | Q | 42.8 | Very low | 63.1 | Low | 152 Ų | 152 | 101.5 Ų | 101.5 | 71% | 0.71 | 53% | 0.532 | S | S | * | . | trans | -100.4 | 113.1 | 167.1 | -81.9 | -179.5 | -15.3 | 0 | 0 | 108 | T1016 D1020 | T1016-Q1018 PolarHBondContact O-N 2.79Å; Q1018-D1020 PolarHBondContact O-N 3.05Å | ||
| 1019 | L | 39.2 | Very low | 62.8 | Low | 159 Ų | 159 | 103.5 Ų | 103.5 | 83% | 0.832 | 55% | 0.553 | S | S | * | * | trans | -71.6 | 65.8 | -179.8 | -157.3 | 93.5 | 0 | 0 | 0 | 110 | S1021 | L1019-S1021 PolarHBondContact O-N 2.88Š| ||
| 1020 | D | 45.4 | Very low | 62.9 | Low | 140 Ų | 140 | 105.1 Ų | 105.1 | 75% | 0.749 | 56% | 0.563 | S | S | * | * | trans | -71 | 82.8 | 165.5 | -88.1 | -2.5 | 0 | 0 | 0 | 107.6 | Q1018 K1022 | Q1018-D1020 PolarHBondContact O-N 3.05Å; D1020-K1022 PolarHBondContact O-N 3.48Å | ||
| 1021 | S | 44.9 | Very low | 63.6 | Low | 98 Ų | 98 | 102.4 Ų | 102.4 | 69% | 0.685 | 55% | 0.549 | S | S | * | . | trans | -70.5 | 65.3 | 178.2 | 44.2 | 0 | 0 | 0 | 0 | 110.4 | L1019 S1023 | L1019-S1021 PolarHBondContact O-N 2.88Å; S1021-S1023 PolarHBondContact O-N 2.77Å | ||
| 1022 | K | 55.3 | Low | 64.9 | Low | 155 Ų | 155 | 100.2 Ų | 100.2 | 67% | 0.674 | 53% | 0.534 | S | S | * | . | trans | -65.2 | 104.3 | 159.6 | -77.7 | -171.7 | 178.8 | -179.9 | 0 | 107.1 | D1020 | D1020-K1022 PolarHBondContact O-N 3.48Š| ||
| 1023 | S | 63.4 | Low | 66.8 | Low | 72 Ų | 72 | 94.8 Ų | 94.8 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | trans | -61.4 | 141.2 | 177.6 | 51.4 | 0 | 0 | 0 | 0 | 110.2 | S1021 S1025 | S1021-S1023 PolarHBondContact O-N 2.77Å; S1023-S1025 WeakPolarHBondContact CB-O 3.45Å; S1023-S1025 PolarHBondContact O-N 3.28Å; S1023-S1025 PolarHBondContact OG-O 3.34Å | ||
| 1024 | T | 82.1 | Confident | 68.9 | Low | 48 Ų | 48 | 86.1 Ų | 86.1 | 29% | 0.294 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -66.1 | -13 | 172.1 | 48.7 | 0 | 0 | 0 | 0 | 112.3 | P1011 E1034 I1035 | P1011-T1024 HydrophobicContact CG-CG2 4.15Å; T1024-E1034 WeakPolarHBondContact O-CA 3.34Å; T1024-I1035 HydrophobicContact CG2-CG2 4.46Å; T1024-I1035 WeakPolarHBondContact O-CG2 3.29Å; T1024-I1035 PolarHBondContact O-N 2.93Å |
| 1025 | S | 86.4 | Confident | 71.3 | Confident | 30 Ų | 30 | 82.9 Ų | 82.9 | 21% | 0.21 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 144.3 | 177 | 55.2 | 0 | 0 | 0 | 0 | 112.4 | S1023 V1033 | S1023-S1025 WeakPolarHBondContact CB-O 3.45Å; S1023-S1025 PolarHBondContact O-N 3.28Å; S1023-S1025 PolarHBondContact OG-O 3.34Å; S1025-V1033 CarbonylContact C-O 3.56Å; S1025-V1033 VanDerWaalsContact CA-O 3.27Å; S1025-V1033 WeakPolarHBondContact CA-O 3.5Å |
| 1026 | Q | 90.5 | Very high | 73.7 | Confident | 75 Ų | 75 | 77 Ų | 77 | 35% | 0.35 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 143.7 | 175.8 | -171.5 | 171.8 | 7.4 | 0 | 0 | 110.5 | P1008 F1028 V1033 | P1008-Q1026 HydrophobicContact CB-CB 4.13Å; Q1026-F1028 HydrophobicContact CB-CE2 4.1Å; Q1026-F1028 HydrophobicContact CB-CZ 4.09Å; Q1026-F1028 HydrophobicContact CG-CE1 3.96Å; Q1026-F1028 HydrophobicContact CG-CE2 4.03Å; Q1026-F1028 HydrophobicContact CG-CZ 3.61Å; Q1026-V1033 PolarHBondContact N-O 3.42Å; Q1026-V1033 PolarHBondContact O-N 3.13Å |
| 1027 | Y | 90.2 | Very high | 75.8 | Confident | 137 Ų | 137 | 73.9 Ų | 73.9 | 54% | 0.537 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 129 | -177.9 | -63.8 | -91.3 | 0 | 0 | 0 | 111.2 | M1032 L1054 | Y1027-M1032 HydrophobicContact CD1-CB 3.87Å; Y1027-M1032 HydrophobicContact CD1-CG 3.88Å; Y1027-M1032 HydrophobicContact CE1-CB 3.82Å; Y1027-M1032 HydrophobicContact CE1-CG 3.54Å; Y1027-L1054 HydrophobicContact CD1-CD1 3.98Å; Y1027-L1054 HydrophobicContact CE1-CD1 4.1Å; Y1027-L1054 HydrophobicContact CE1-CD2 4.25Å |
| 1028 | F | 89.5 | Confident | 77.8 | Confident | 4 Ų | 4 | 69.5 Ų | 69.5 | 2% | 0.018 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 87.7 | 175.8 | -56.2 | -71.6 | 0 | 0 | 0 | 108.9 | M971 I974 Q975 W978 Y1006 Q1026 N1030 I1031 V1033 | M971-F1028 HydrophobicContact CE-CD1 4.02Å; M971-F1028 HydrophobicContact SD-CD1 4.42Å; I974-F1028 HydrophobicContact CB-CD1 4.49Å; I974-F1028 HydrophobicContact CG2-CD1 3.36Å; I974-F1028 HydrophobicContact CG2-CE1 3.53Å; I974-F1028 HydrophobicContact CG2-CG 3.9Å; I974-F1028 HydrophobicContact CG2-CZ 4.17Å; Q975-F1028 HydrophobicContact CG-CB 4.29Å; W978-F1028 AromaticContact CD1-CD2 3.42Å; W978-F1028 VanDerWaalsContact CD1-CD2 3.42Å; W978-F1028 AromaticContact CD1-CE2 3.9Å; W978-F1028 AromaticContact CD1-CG 3.74Å; W978-F1028 HydrophobicContact CG-CD2 4.23Å; W978-F1028 AromaticContact NE1-CD2 3.5Å; W978-F1028 AromaticContact NE1-CE2 3.46Å; Y1006-F1028 WeakPolarHBondContact O-CE2 3.43Å; Y1006-F1028 VanDerWaalsContact O-CZ 3.28Å; Y1006-F1028 WeakPolarHBondContact O-CZ 3.37Å; Q1026-F1028 HydrophobicContact CB-CE2 4.1Å; Q1026-F1028 HydrophobicContact CB-CZ 4.09Å; Q1026-F1028 HydrophobicContact CG-CE1 3.96Å; Q1026-F1028 HydrophobicContact CG-CE2 4.03Å; Q1026-F1028 HydrophobicContact CG-CZ 3.61Å; F1028-N1030 PolarHBondContact O-N 3.3Å; F1028-I1031 PolarHBondContact N-O 3.33Å; F1028-I1031 PolarHBondContact O-N 3.36Å; F1028-V1033 HydrophobicContact CD2-CB 4.38Å; F1028-V1033 HydrophobicContact CD2-CG2 3.79Å; F1028-V1033 HydrophobicContact CE2-CB 4.16Å; F1028-V1033 HydrophobicContact CE2-CG2 3.98Å |
| 1029 | G | 84.6 | Confident | 80 | Confident | 47 Ų | 47 | 63.1 Ų | 63.1 | 49% | 0.485 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | -121.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | I1031 | G1029-I1031 VanDerWaalsContact C-N 3.32Š|
| 1030 | N | 87.7 | Confident | 82.3 | Confident | 72 Ų | 72 | 58.1 Ų | 58.1 | 39% | 0.385 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 4 | 179.8 | -165.8 | 25.2 | 0 | 0 | 0 | 113.5 | F1028 L1054 S1055 | F1028-N1030 PolarHBondContact O-N 3.3Å; N1030-L1054 WeakPolarHBondContact O-CG 3.5Å; N1030-L1054 PolarHBondContact O-N 2.77Å; N1030-L1054 WeakPolarHBondContact OD1-CB 3.46Å; N1030-S1055 VanDerWaalsContact ND2-CB 3.34Å; N1030-S1055 WeakPolarHBondContact ND2-CB 3.18Å; N1030-S1055 PolarHBondContact ND2-OG 3.29Å; N1030-S1055 PolarHBondContact OD1-N 3.2Å |
| 1031 | I | 92 | Very high | 84.4 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 125.3 | -178 | -62.2 | 175.1 | 0 | 0 | 0 | 109.3 | W978 L979 F982 F1028 G1029 V1033 V1051 | W978-I1031 VanDerWaalsContact C-CD1 3.44Å; W978-I1031 HydrophobicContact CB-CD1 4.04Å; W978-I1031 HydrophobicContact CB-CG2 4.24Å; W978-I1031 WeakPolarHBondContact O-CD1 3.33Å; L979-I1031 HydrophobicContact CB-CD1 4.31Å; L979-I1031 HydrophobicContact CD1-CD1 4.47Å; F982-I1031 HydrophobicContact CB-CD1 4.02Å; F1028-I1031 PolarHBondContact N-O 3.33Å; F1028-I1031 PolarHBondContact O-N 3.36Å; G1029-I1031 VanDerWaalsContact C-N 3.32Å; I1031-V1033 HydrophobicContact CG2-CG2 4.16Å; I1031-V1051 HydrophobicContact CG2-CG1 3.4Å |
| 1032 | M | 93.4 | Very high | 86.4 | Confident | 27 Ų | 27 | 47 Ų | 47 | 13% | 0.133 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 129.1 | 172.5 | -173.9 | -82.9 | -71.6 | 0 | 0 | 109.1 | Y1027 E1034 V1051 T1052 L1054 | Y1027-M1032 HydrophobicContact CD1-CB 3.87Å; Y1027-M1032 HydrophobicContact CD1-CG 3.88Å; Y1027-M1032 HydrophobicContact CE1-CB 3.82Å; Y1027-M1032 HydrophobicContact CE1-CG 3.54Å; M1032-E1034 HydrophobicContact SD-CB 3.93Å; M1032-V1051 CarbonylContact O-C 3.5Å; M1032-V1051 WeakPolarHBondContact O-CA 3.18Å; M1032-T1052 PolarHBondContact N-O 3.19Å; M1032-T1052 PolarHBondContact O-N 2.94Å; M1032-L1054 HydrophobicContact CB-CD2 4.03Å |
| 1033 | V | 95.3 | Very high | 88 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 123.9 | 179 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | W978 P1008 S1025 Q1026 F1028 I1031 F1049 I1050 V1051 | W978-V1033 HydrophobicContact CD2-CG2 3.68Å; W978-V1033 HydrophobicContact CE3-CG2 3.92Å; W978-V1033 HydrophobicContact CG-CG2 4.22Å; W978-V1033 HydrophobicContact CH2-CG1 3.78Å; W978-V1033 HydrophobicContact CH2-CG2 4.1Å; W978-V1033 HydrophobicContact CZ2-CB 4.4Å; W978-V1033 HydrophobicContact CZ2-CG1 3.8Å; W978-V1033 HydrophobicContact CZ2-CG2 3.86Å; W978-V1033 HydrophobicContact CZ3-CG1 4.39Å; W978-V1033 HydrophobicContact CZ3-CG2 4.12Å; P1008-V1033 HydrophobicContact CG-CG1 4.26Å; S1025-V1033 CarbonylContact C-O 3.56Å; S1025-V1033 VanDerWaalsContact CA-O 3.27Å; S1025-V1033 WeakPolarHBondContact CA-O 3.5Å; Q1026-V1033 PolarHBondContact N-O 3.42Å; Q1026-V1033 PolarHBondContact O-N 3.13Å; F1028-V1033 HydrophobicContact CD2-CB 4.38Å; F1028-V1033 HydrophobicContact CD2-CG2 3.79Å; F1028-V1033 HydrophobicContact CE2-CB 4.16Å; F1028-V1033 HydrophobicContact CE2-CG2 3.98Å; I1031-V1033 HydrophobicContact CG2-CG2 4.16Å; V1033-F1049 HydrophobicContact CG1-CB 4.16Å; V1033-F1049 HydrophobicContact CG1-CD1 4.14Å; V1033-F1049 HydrophobicContact CG1-CG 4.09Å; V1033-I1050 WeakPolarHBondContact CA-O 3.46Å; V1033-V1051 HydrophobicContact CG1-CG2 4.49Å; V1033-V1051 HydrophobicContact CG2-CG1 4.46Å; V1033-V1051 HydrophobicContact CG2-CG2 4.41Å |
| 1034 | E | 93.4 | Very high | 89.4 | Confident | 71 Ų | 71 | 37 Ų | 37 | 33% | 0.332 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 131.8 | 178.7 | -178.5 | 178.8 | -169.4 | 0 | 0 | 110.7 | T1024 M1032 F1049 I1050 | T1024-E1034 WeakPolarHBondContact O-CA 3.34Å; M1032-E1034 HydrophobicContact SD-CB 3.93Å; E1034-F1049 CarbonylContact O-C 3.53Å; E1034-F1049 WeakPolarHBondContact O-CA 3.16Å; E1034-I1050 PolarHBondContact N-O 3.34Å; E1034-I1050 PolarHBondContact O-N 3.31Å |
| 1035 | I | 92.8 | Very high | 89.9 | Confident | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 119 | 172.7 | -168.3 | 168.3 | 0 | 0 | 0 | 111.3 | P1008 M1010 T1024 R1038 R1047 F1049 | P1008-I1035 HydrophobicContact CG-CB 4.28Å; P1008-I1035 HydrophobicContact CG-CG2 4.47Å; M1010-I1035 HydrophobicContact CB-CD1 4.49Å; M1010-I1035 HydrophobicContact CG-CD1 3.97Å; M1010-I1035 HydrophobicContact CG-CG1 4.22Å; M1010-I1035 HydrophobicContact CG-CG2 4.01Å; T1024-I1035 HydrophobicContact CG2-CG2 4.46Å; T1024-I1035 WeakPolarHBondContact O-CG2 3.29Å; T1024-I1035 PolarHBondContact O-N 2.93Å; I1035-R1038 HydrophobicContact CD1-CB 4.36Å; I1035-R1047 HydrophobicContact CD1-CB 4.46Å; I1035-R1047 HydrophobicContact CD1-CG 4.37Å; I1035-F1049 HydrophobicContact CB-CD1 4Å; I1035-F1049 HydrophobicContact CB-CE1 3.94Å; I1035-F1049 HydrophobicContact CD1-CE1 4.06Å; I1035-F1049 HydrophobicContact CG1-CD1 4.16Å; I1035-F1049 HydrophobicContact CG1-CE1 3.9Å |
| 1036 | I | 90.6 | Very high | 90.2 | Very high | 49 Ų | 49 | 33.7 Ų | 33.7 | 25% | 0.251 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -42.7 | 175.3 | -49.6 | 167.7 | 0 | 0 | 0 | 110.1 | M1010 Y1048 I1050 | M1010-I1036 WeakPolarHBondContact CE-O 3.32Å; I1036-Y1048 PolarHBondContact N-O 2.94Å; I1036-I1050 HydrophobicContact CD1-CD1 3.76Å; I1036-I1050 HydrophobicContact CD1-CG1 3.45Å; I1036-I1050 VanDerWaalsContact CD1-CG1 3.45Å; I1036-I1050 HydrophobicContact CG1-CD1 3.88Å; I1036-I1050 HydrophobicContact CG1-CG1 3.79Å |
| 1037 | N | 87.3 | Confident | 90.4 | Very high | 25 Ų | 25 | 30.8 Ų | 30.8 | 13% | 0.134 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 154.1 | -169.5 | -168.5 | 25 | 0 | 0 | 0 | 112.4 | R1047 Y1048 S1616 | N1037-R1047 WeakPolarHBondContact O-CA 3.43Å; N1037-Y1048 HydrophobicContact CB-CD2 3.87Å; N1037-Y1048 HydrophobicContact CB-CG 4.38Å; N1037-Y1048 PolarHBondContact O-N 3.21Å; N1037-S1616 WeakPolarHBondContact CB-OG 3.48Å; N1037-S1616 PolarHBondContact ND2-OG 3.18Å |
| 1038 | R | 88 | Confident | 90.7 | Very high | 89 Ų | 89 | 26.2 Ų | 26.2 | 34% | 0.336 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 130.7 | 174.1 | 174.5 | 177.1 | 161.3 | -161.7 | -15.8 | 108.9 | E1009 I1035 D1040 T1045 V1046 R1047 | E1009-R1038 WeakPolarHBondContact OE1-CD 3.11Å; E1009-R1038 IonicContact OE1-CZ 2.76Å; E1009-R1038 IonicContact OE1-NE 2.97Å; E1009-R1038 IonicContact OE1-NH1 3.82Å; E1009-R1038 PolarHBondContact OE1-NH1 2.98Å; I1035-R1038 HydrophobicContact CD1-CB 4.36Å; R1038-D1040 IonicContact CZ-OD1 3.42Å; R1038-D1040 IonicContact CZ-OD2 3.11Å; R1038-D1040 VanDerWaalsContact CZ-OD2 3.27Å; R1038-D1040 IonicContact NE-OD1 3.08Å; R1038-D1040 PolarHBondContact NE-OD1 2.83Å; R1038-D1040 IonicContact NE-OD2 2.78Å; R1038-D1040 PolarHBondContact NE-OD2 3.47Å; R1038-D1040 VanDerWaalsContact NE-OD2 3.1Å; R1038-D1040 VanDerWaalsContact NH2-CG 3.28Å; R1038-D1040 IonicContact NH2-OD1 3.24Å; R1038-D1040 PolarHBondContact NH2-OD1 2.97Å; R1038-D1040 VanDerWaalsContact NH2-OD1 3.09Å; R1038-D1040 IonicContact NH2-OD2 3.15Å; R1038-D1040 PolarHBondContact NH2-OD2 2.85Å; R1038-T1045 HydrophobicContact CG-CG2 3.82Å; R1038-V1046 WeakPolarHBondContact CA-O 3.32Å; R1038-R1047 HydrophobicContact CG-CG 4.46Å |
| 1039 | I | 88.7 | Confident | 90.9 | Very high | 18 Ų | 18 | 26 Ų | 26 | 9% | 0.092 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 119.8 | 174.7 | -51.4 | 177.5 | 0 | 0 | 0 | 107.8 | Y1041 V1046 Y1048 P1615 | I1039-Y1041 HydrophobicContact CB-CE2 4.09Å; I1039-Y1041 HydrophobicContact CG2-CD2 4.44Å; I1039-Y1041 HydrophobicContact CG2-CE2 3.59Å; I1039-Y1041 WeakPolarHBondContact CG2-OH 3.34Å; I1039-V1046 PolarHBondContact N-O 3.44Å; I1039-V1046 PolarHBondContact O-N 3.3Å; I1039-Y1048 HydrophobicContact CD1-CE2 3.89Å; I1039-Y1048 HydrophobicContact CG1-CE2 4.33Å; I1039-P1615 HydrophobicContact CD1-CB 4.27Å |
| 1040 | D | 86.7 | Confident | 91.4 | Very high | 53 Ų | 53 | 26.1 Ų | 26.1 | 28% | 0.283 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 133.9 | 177.6 | -64 | -47.6 | 0 | 0 | 0 | 110.6 | R1038 T1045 S1317 | R1038-D1040 IonicContact CZ-OD1 3.42Å; R1038-D1040 IonicContact CZ-OD2 3.11Å; R1038-D1040 VanDerWaalsContact CZ-OD2 3.27Å; R1038-D1040 IonicContact NE-OD1 3.08Å; R1038-D1040 PolarHBondContact NE-OD1 2.83Å; R1038-D1040 IonicContact NE-OD2 2.78Å; R1038-D1040 PolarHBondContact NE-OD2 3.47Å; R1038-D1040 VanDerWaalsContact NE-OD2 3.1Å; R1038-D1040 VanDerWaalsContact NH2-CG 3.28Å; R1038-D1040 IonicContact NH2-OD1 3.24Å; R1038-D1040 PolarHBondContact NH2-OD1 2.97Å; R1038-D1040 VanDerWaalsContact NH2-OD1 3.09Å; R1038-D1040 IonicContact NH2-OD2 3.15Å; R1038-D1040 PolarHBondContact NH2-OD2 2.85Å; D1040-T1045 WeakPolarHBondContact OD1-CG2 3.35Å; D1040-T1045 PolarHBondContact OD1-OG1 3.44Å; D1040-S1317 WeakPolarHBondContact O-CA 3.46Å; D1040-S1317 WeakPolarHBondContact O-CB 3.35Å |
| 1041 | Y | 90.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 0% | 0.004 | 11% | 0.106 | C | C | . | . | trans | -113.3 | 167 | 168.3 | -59.4 | -101.1 | 0 | 0 | 0 | 107.4 | I1039 H1043 F1044 V1046 Y1068 R1129 S1317 D1534 | I1039-Y1041 HydrophobicContact CB-CE2 4.09Å; I1039-Y1041 HydrophobicContact CG2-CD2 4.44Å; I1039-Y1041 HydrophobicContact CG2-CE2 3.59Å; I1039-Y1041 WeakPolarHBondContact CG2-OH 3.34Å; Y1041-H1043 PolarHBondContact O-N 3.05Å; Y1041-F1044 CarbonylContact C-O 3.58Å; Y1041-F1044 WeakPolarHBondContact CA-O 3.33Å; Y1041-F1044 VanDerWaalsContact CB-O 3.24Å; Y1041-F1044 WeakPolarHBondContact CB-O 3.5Å; Y1041-F1044 HydrophobicContact CD1-CE1 4.26Å; Y1041-F1044 AromaticContact CD1-CE2 3.86Å; Y1041-F1044 HydrophobicContact CD1-CE2 3.86Å; Y1041-F1044 AromaticContact CD1-CZ 3.55Å; Y1041-F1044 HydrophobicContact CD1-CZ 3.55Å; Y1041-F1044 AromaticContact CD2-CD2 3.58Å; Y1041-F1044 HydrophobicContact CD2-CD2 3.58Å; Y1041-F1044 AromaticContact CD2-CE2 3.22Å; Y1041-F1044 HydrophobicContact CD2-CE2 3.22Å; Y1041-F1044 HydrophobicContact CD2-CG 4.41Å; Y1041-F1044 AromaticContact CD2-CZ 3.81Å; Y1041-F1044 HydrophobicContact CD2-CZ 3.81Å; Y1041-F1044 HydrophobicContact CE1-CE2 4.22Å; Y1041-F1044 HydrophobicContact CE1-CZ 4.11Å; Y1041-F1044 HydrophobicContact CE2-CD2 4.29Å; Y1041-F1044 AromaticContact CE2-CE2 3.68Å; Y1041-F1044 HydrophobicContact CE2-CE2 3.68Å; Y1041-F1044 HydrophobicContact CE2-CZ 4.37Å; Y1041-F1044 HydrophobicContact CG-CD1 4.45Å; Y1041-F1044 AromaticContact CG-CD2 3.9Å; Y1041-F1044 HydrophobicContact CG-CD2 3.9Å; Y1041-F1044 AromaticContact CG-CE1 3.99Å; Y1041-F1044 HydrophobicContact CG-CE1 3.99Å; Y1041-F1044 AromaticContact CG-CE2 3.37Å; Y1041-F1044 HydrophobicContact CG-CE2 3.37Å; Y1041-F1044 HydrophobicContact CG-CG 4.4Å; Y1041-F1044 AromaticContact CG-CZ 3.42Å; Y1041-F1044 HydrophobicContact CG-CZ 3.42Å; Y1041-F1044 VanDerWaalsContact CG-CZ 3.42Å; Y1041-F1044 PolarHBondContact N-O 3.19Å; Y1041-V1046 HydrophobicContact CD2-CG2 4.2Å; Y1041-V1046 HydrophobicContact CE2-CB 4.31Å; Y1041-V1046 HydrophobicContact CE2-CG2 3.68Å; Y1041-Y1068 PolarHBondContact O-OH 2.85Å; Y1041-R1129 PolarHBondContact OH-NE 2.8Å; Y1041-R1129 PolarHBondContact OH-NH1 3.37Å; Y1041-R1129 PolarHBondContact OH-NH2 2.72Å; Y1041-S1317 CarbonylContact C-O 3.55Å; Y1041-D1534 PolarHBondContact OH-OD1 3.44Å | ||
| 1042 | P | 85.8 | Confident | 91.9 | Very high | 5 Ų | 5 | 23 Ų | 23 | 3% | 0.032 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -59.7 | -35.6 | -179.6 | -23.8 | 34.1 | 0 | 0 | 0 | 112.5 | Y1068 D1314 G1315 A1316 L1319 | P1042-Y1068 VanDerWaalsContact C-OH 3.24Å; P1042-Y1068 VanDerWaalsContact O-CE2 3.28Å; P1042-Y1068 WeakPolarHBondContact O-CE2 3.45Å; P1042-Y1068 PolarHBondContact O-OH 2.87Å; P1042-D1314 HydrophobicContact CB-CB 4.01Å; P1042-D1314 HydrophobicContact CG-CB 3.94Å; P1042-G1315 WeakPolarHBondContact CG-O 3.23Å; P1042-A1316 WeakPolarHBondContact CD-O 3.39Å; P1042-L1319 HydrophobicContact CB-CD2 3.59Å; P1042-L1319 HydrophobicContact CB-CG 3.85Å; P1042-L1319 WeakPolarHBondContact O-CD1 3.48Å; P1042-L1319 WeakPolarHBondContact O-CD2 3.29Å; P1042-L1319 WeakPolarHBondContact O-CG 3.31Å |
| 1043 | H | 88.5 | Confident | 91.9 | Very high | 17 Ų | 17 | 23.7 Ų | 23.7 | 8% | 0.079 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -113.7 | -9.8 | -170.9 | -62 | -66.7 | 0 | 0 | 0 | 116.1 | Y1041 F1067 Y1068 S1069 N1122 D1314 L1319 | Y1041-H1043 PolarHBondContact O-N 3.05Å; H1043-F1067 HydrophobicContact CB-CE2 4.13Å; H1043-Y1068 VanDerWaalsContact C-CZ 3.48Å; H1043-Y1068 PolarHBondContact O-N 2.95Å; H1043-S1069 WeakPolarHBondContact CA-OG 3.42Å; H1043-S1069 WeakPolarHBondContact CB-OG 3.48Å; H1043-S1069 PolarHBondContact ND1-OG 3.18Å; H1043-S1069 PolarHBondContact O-N 3.34Å; H1043-S1069 PolarHBondContact O-OG 3.41Å; H1043-N1122 HydrophobicContact CB-CB 4.17Å; H1043-N1122 PolarHBondContact CD2-ND2 3.13Å; H1043-N1122 PolarHBondContact CE1-ND2 2.65Å; H1043-N1122 VanDerWaalsContact CG-ND2 3.34Å; H1043-N1122 PolarHBondContact ND1-ND2 3.26Å; H1043-N1122 PolarHBondContact NE2-ND2 2.82Å; H1043-D1314 IonicContact CE1-OD2 3.62Å; H1043-D1314 IonicContact NE2-OD2 2.84Å; H1043-D1314 PolarHBondContact NE2-OD2 2.8Å; H1043-L1319 WeakPolarHBondContact CE1-CD2 3.41Å |
| 1044 | F | 93 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 161.2 | -177 | 61.1 | -88.2 | 0 | 0 | 0 | 111.4 | Y1041 V1046 Q1066 F1067 Y1068 E1125 F1126 R1129 | Y1041-F1044 CarbonylContact C-O 3.58Å; Y1041-F1044 WeakPolarHBondContact CA-O 3.33Å; Y1041-F1044 VanDerWaalsContact CB-O 3.24Å; Y1041-F1044 WeakPolarHBondContact CB-O 3.5Å; Y1041-F1044 HydrophobicContact CD1-CE1 4.26Å; Y1041-F1044 AromaticContact CD1-CE2 3.86Å; Y1041-F1044 HydrophobicContact CD1-CE2 3.86Å; Y1041-F1044 AromaticContact CD1-CZ 3.55Å; Y1041-F1044 HydrophobicContact CD1-CZ 3.55Å; Y1041-F1044 AromaticContact CD2-CD2 3.58Å; Y1041-F1044 HydrophobicContact CD2-CD2 3.58Å; Y1041-F1044 AromaticContact CD2-CE2 3.22Å; Y1041-F1044 HydrophobicContact CD2-CE2 3.22Å; Y1041-F1044 HydrophobicContact CD2-CG 4.41Å; Y1041-F1044 AromaticContact CD2-CZ 3.81Å; Y1041-F1044 HydrophobicContact CD2-CZ 3.81Å; Y1041-F1044 HydrophobicContact CE1-CE2 4.22Å; Y1041-F1044 HydrophobicContact CE1-CZ 4.11Å; Y1041-F1044 HydrophobicContact CE2-CD2 4.29Å; Y1041-F1044 AromaticContact CE2-CE2 3.68Å; Y1041-F1044 HydrophobicContact CE2-CE2 3.68Å; Y1041-F1044 HydrophobicContact CE2-CZ 4.37Å; Y1041-F1044 HydrophobicContact CG-CD1 4.45Å; Y1041-F1044 AromaticContact CG-CD2 3.9Å; Y1041-F1044 HydrophobicContact CG-CD2 3.9Å; Y1041-F1044 AromaticContact CG-CE1 3.99Å; Y1041-F1044 HydrophobicContact CG-CE1 3.99Å; Y1041-F1044 AromaticContact CG-CE2 3.37Å; Y1041-F1044 HydrophobicContact CG-CE2 3.37Å; Y1041-F1044 HydrophobicContact CG-CG 4.4Å; Y1041-F1044 AromaticContact CG-CZ 3.42Å; Y1041-F1044 HydrophobicContact CG-CZ 3.42Å; Y1041-F1044 VanDerWaalsContact CG-CZ 3.42Å; Y1041-F1044 PolarHBondContact N-O 3.19Å; F1044-V1046 HydrophobicContact CD2-CG2 4.05Å; F1044-V1046 HydrophobicContact CE2-CG2 4.01Å; F1044-Q1066 CarbonylContact C-O 3.58Å; F1044-Q1066 WeakPolarHBondContact CA-O 3.29Å; F1044-Q1066 WeakPolarHBondContact CB-O 3.2Å; F1044-F1067 HydrophobicContact CB-CB 4.45Å; F1044-F1067 HydrophobicContact CB-CD2 3.99Å; F1044-F1067 HydrophobicContact CD1-CD2 4.37Å; F1044-Y1068 VanDerWaalsContact C-CE1 3.42Å; F1044-E1125 HydrophobicContact CE1-CG 4.2Å; F1044-E1125 HydrophobicContact CZ-CG 4.35Å; F1044-F1126 HydrophobicContact CB-CD2 3.76Å; F1044-F1126 HydrophobicContact CB-CE2 4.22Å; F1044-F1126 HydrophobicContact CD1-CB 3.96Å; F1044-F1126 HydrophobicContact CD1-CD2 4.1Å; F1044-F1126 AromaticContact CD2-CD2 3.86Å; F1044-F1126 HydrophobicContact CD2-CD2 3.86Å; F1044-F1126 HydrophobicContact CE1-CB 4.11Å; F1044-F1126 HydrophobicContact CE2-CD2 4.46Å; F1044-F1126 HydrophobicContact CG-CB 4.38Å; F1044-F1126 AromaticContact CG-CD2 3.65Å; F1044-F1126 HydrophobicContact CG-CD2 3.65Å; F1044-F1126 HydrophobicContact CG-CE2 4.46Å; F1044-F1126 HydrophobicContact CG-CG 4.5Å; F1044-R1129 HydrophobicContact CE2-CB 4.34Å; F1044-R1129 HydrophobicContact CE2-CG 4.03Å; F1044-R1129 HydrophobicContact CZ-CB 4.43Å; F1044-R1129 HydrophobicContact CZ-CG 4.39Å |
| 1045 | T | 92.4 | Very high | 91.1 | Very high | 7 Ų | 7 | 28.2 Ų | 28.2 | 4% | 0.043 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 141.5 | 175.2 | -62.1 | 0 | 0 | 0 | 0 | 109.5 | R1038 D1040 R1047 Q1066 | R1038-T1045 HydrophobicContact CG-CG2 3.82Å; D1040-T1045 WeakPolarHBondContact OD1-CG2 3.35Å; D1040-T1045 PolarHBondContact OD1-OG1 3.44Å; T1045-R1047 HydrophobicContact CG2-CG 4.07Å; T1045-Q1066 PolarHBondContact N-O 2.93Å; T1045-Q1066 PolarHBondContact O-N 2.99Å |
| 1046 | V | 94.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 126.9 | 172.6 | -175.2 | 0 | 0 | 0 | 0 | 108.9 | R1038 I1039 Y1041 F1044 Y1048 I1063 H1064 Y1065 | R1038-V1046 WeakPolarHBondContact CA-O 3.32Å; I1039-V1046 PolarHBondContact N-O 3.44Å; I1039-V1046 PolarHBondContact O-N 3.3Å; Y1041-V1046 HydrophobicContact CD2-CG2 4.2Å; Y1041-V1046 HydrophobicContact CE2-CB 4.31Å; Y1041-V1046 HydrophobicContact CE2-CG2 3.68Å; F1044-V1046 HydrophobicContact CD2-CG2 4.05Å; F1044-V1046 HydrophobicContact CE2-CG2 4.01Å; V1046-Y1048 HydrophobicContact CG1-CE2 3.91Å; V1046-I1063 HydrophobicContact CG1-CG2 3.66Å; V1046-H1064 CarbonylContact C-O 3.49Å; V1046-H1064 WeakPolarHBondContact CA-O 3.14Å; V1046-Y1065 HydrophobicContact CG1-CD1 4.19Å; V1046-Y1065 HydrophobicContact CG1-CE1 3.97Å; V1046-Y1065 HydrophobicContact CG2-CD1 3.69Å; V1046-Y1065 HydrophobicContact CG2-CE1 3.9Å |
| 1047 | R | 94.8 | Very high | 90.5 | Very high | 14 Ų | 14 | 34 Ų | 34 | 5% | 0.053 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 143.5 | 177.4 | -59.8 | -177.4 | 179.1 | 82.8 | -0.2 | 109.9 | E1009 I1035 N1037 R1038 T1045 F1049 I1063 H1064 | E1009-R1047 IonicContact OE1-NE 3.73Å; E1009-R1047 IonicContact OE1-NH2 3.02Å; E1009-R1047 IonicContact OE2-CZ 3.57Å; E1009-R1047 IonicContact OE2-NE 3.31Å; E1009-R1047 PolarHBondContact OE2-NE 2.94Å; E1009-R1047 IonicContact OE2-NH2 2.67Å; E1009-R1047 PolarHBondContact OE2-NH2 3.26Å; I1035-R1047 HydrophobicContact CD1-CB 4.46Å; I1035-R1047 HydrophobicContact CD1-CG 4.37Å; N1037-R1047 WeakPolarHBondContact O-CA 3.43Å; R1038-R1047 HydrophobicContact CG-CG 4.46Å; T1045-R1047 HydrophobicContact CG2-CG 4.07Å; R1047-F1049 HydrophobicContact CB-CE1 3.98Å; R1047-F1049 HydrophobicContact CB-CE2 4.11Å; R1047-F1049 HydrophobicContact CB-CZ 3.62Å; R1047-F1049 HydrophobicContact CG-CZ 4.32Å; R1047-I1063 WeakPolarHBondContact O-CA 3.15Å; R1047-H1064 HydrophobicContact CB-CB 4.33Å; R1047-H1064 PolarHBondContact N-O 2.78Å; R1047-H1064 PolarHBondContact O-N 2.63Å |
| 1048 | Y | 94.8 | Very high | 90.6 | Very high | 41 Ų | 41 | 37.7 Ų | 37.7 | 16% | 0.161 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.4 | 176.7 | -64.4 | -94.9 | 0 | 0 | 0 | 109 | I1036 N1037 I1039 V1046 I1063 | I1036-Y1048 PolarHBondContact N-O 2.94Å; N1037-Y1048 HydrophobicContact CB-CD2 3.87Å; N1037-Y1048 HydrophobicContact CB-CG 4.38Å; N1037-Y1048 PolarHBondContact O-N 3.21Å; I1039-Y1048 HydrophobicContact CD1-CE2 3.89Å; I1039-Y1048 HydrophobicContact CG1-CE2 4.33Å; V1046-Y1048 HydrophobicContact CG1-CE2 3.91Å; Y1048-I1063 HydrophobicContact CD1-CD1 4.34Å; Y1048-I1063 HydrophobicContact CD1-CG1 3.89Å; Y1048-I1063 HydrophobicContact CD1-CG2 4.31Å; Y1048-I1063 HydrophobicContact CE1-CD1 3.85Å; Y1048-I1063 HydrophobicContact CE1-CG1 3.89Å; Y1048-I1063 HydrophobicContact CE1-CG2 4.07Å |
| 1049 | F | 95.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 146.5 | -178.2 | -56.9 | -54 | 0 | 0 | 0 | 111.9 | W978 W1007 V1033 E1034 I1035 R1047 V1051 R1061 V1062 H1064 | W978-F1049 HydrophobicContact CH2-CD2 4.01Å; W978-F1049 HydrophobicContact CH2-CE2 4.35Å; W1007-F1049 HydrophobicContact CB-CE1 4.09Å; W1007-F1049 HydrophobicContact CB-CE2 4.12Å; W1007-F1049 HydrophobicContact CB-CZ 3.52Å; W1007-F1049 AromaticContact CG-CZ 3.87Å; W1007-F1049 HydrophobicContact CG-CZ 3.87Å; V1033-F1049 HydrophobicContact CG1-CB 4.16Å; V1033-F1049 HydrophobicContact CG1-CD1 4.14Å; V1033-F1049 HydrophobicContact CG1-CG 4.09Å; E1034-F1049 CarbonylContact O-C 3.53Å; E1034-F1049 WeakPolarHBondContact O-CA 3.16Å; I1035-F1049 HydrophobicContact CB-CD1 4Å; I1035-F1049 HydrophobicContact CB-CE1 3.94Å; I1035-F1049 HydrophobicContact CD1-CE1 4.06Å; I1035-F1049 HydrophobicContact CG1-CD1 4.16Å; I1035-F1049 HydrophobicContact CG1-CE1 3.9Å; R1047-F1049 HydrophobicContact CB-CE1 3.98Å; R1047-F1049 HydrophobicContact CB-CE2 4.11Å; R1047-F1049 HydrophobicContact CB-CZ 3.62Å; R1047-F1049 HydrophobicContact CG-CZ 4.32Å; F1049-V1051 HydrophobicContact CB-CG2 4.34Å; F1049-R1061 WeakPolarHBondContact O-CA 3.43Å; F1049-V1062 HydrophobicContact CB-CB 4.42Å; F1049-V1062 PolarHBondContact N-O 3.36Å; F1049-V1062 PolarHBondContact O-N 2.9Å; F1049-H1064 HydrophobicContact CD2-CB 3.96Å; F1049-H1064 HydrophobicContact CE2-CB 3.38Å; F1049-H1064 AromaticContact CE2-CG 3.89Å; F1049-H1064 HydrophobicContact CZ-CB 4.29Å |
| 1050 | I | 95.1 | Very high | 90.9 | Very high | 48 Ų | 48 | 37.5 Ų | 37.5 | 25% | 0.246 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 126.6 | 156.1 | -68.9 | 166.8 | 0 | 0 | 0 | 106.8 | V1033 E1034 I1036 | V1033-I1050 WeakPolarHBondContact CA-O 3.46Å; E1034-I1050 PolarHBondContact N-O 3.34Å; E1034-I1050 PolarHBondContact O-N 3.31Å; I1036-I1050 HydrophobicContact CD1-CD1 3.76Å; I1036-I1050 HydrophobicContact CD1-CG1 3.45Å; I1036-I1050 VanDerWaalsContact CD1-CG1 3.45Å; I1036-I1050 HydrophobicContact CG1-CD1 3.88Å; I1036-I1050 HydrophobicContact CG1-CG1 3.79Å |
| 1051 | V | 94.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 117.4 | 177.5 | -176.4 | 0 | 0 | 0 | 0 | 107.7 | W978 F982 I1031 M1032 V1033 F1049 S1059 Q1060 V1062 | W978-V1051 HydrophobicContact CE3-CG1 4.31Å; W978-V1051 HydrophobicContact CE3-CG2 4.14Å; W978-V1051 HydrophobicContact CH2-CG2 4.39Å; W978-V1051 HydrophobicContact CZ3-CG2 3.62Å; F982-V1051 HydrophobicContact CD2-CG1 4.25Å; I1031-V1051 HydrophobicContact CG2-CG1 3.4Å; M1032-V1051 CarbonylContact O-C 3.5Å; M1032-V1051 WeakPolarHBondContact O-CA 3.18Å; V1033-V1051 HydrophobicContact CG1-CG2 4.49Å; V1033-V1051 HydrophobicContact CG2-CG1 4.46Å; V1033-V1051 HydrophobicContact CG2-CG2 4.41Å; F1049-V1051 HydrophobicContact CB-CG2 4.34Å; V1051-S1059 CarbonylContact O-C 3.49Å; V1051-S1059 VanDerWaalsContact O-CA 3.28Å; V1051-S1059 WeakPolarHBondContact O-CA 3.39Å; V1051-Q1060 HydrophobicContact CB-CG 4.13Å; V1051-Q1060 PolarHBondContact N-O 3.4Å; V1051-Q1060 PolarHBondContact O-N 3.23Å; V1051-V1062 HydrophobicContact CB-CG2 4.31Å; V1051-V1062 HydrophobicContact CG2-CB 4.15Å; V1051-V1062 HydrophobicContact CG2-CG2 3.62Å |
| 1052 | T | 94 | Very high | 91.5 | Very high | 12 Ų | 12 | 42.5 Ų | 42.5 | 7% | 0.074 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 124.3 | -177.6 | -54.6 | 0 | 0 | 0 | 0 | 110.1 | M1032 I1058 S1059 | M1032-T1052 PolarHBondContact N-O 3.19Å; M1032-T1052 PolarHBondContact O-N 2.94Å; T1052-I1058 WeakPolarHBondContact CA-O 3.47Å; T1052-S1059 WeakPolarHBondContact OG1-CB 3.33Å |
| 1053 | E | 92.6 | Very high | 92 | Very high | 42 Ų | 42 | 43.7 Ų | 43.7 | 20% | 0.196 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 119.6 | 167.9 | -177.6 | -170.8 | -131.2 | 0 | 0 | 109 | F982 S1055 S1056 N1057 I1058 | F982-E1053 HydrophobicContact CD1-CB 4.1Å; F982-E1053 HydrophobicContact CD2-CB 4.32Å; F982-E1053 HydrophobicContact CE1-CB 3.52Å; F982-E1053 HydrophobicContact CE1-CG 4.09Å; F982-E1053 WeakPolarHBondContact CE1-OE2 3.1Å; F982-E1053 HydrophobicContact CE2-CB 3.77Å; F982-E1053 HydrophobicContact CG-CB 4.47Å; F982-E1053 HydrophobicContact CZ-CB 3.34Å; F982-E1053 HydrophobicContact CZ-CG 4.36Å; E1053-S1055 VanDerWaalsContact C-N 3.33Å; E1053-S1055 WeakPolarHBondContact CG-OG 3.36Å; E1053-S1055 PolarHBondContact O-N 3Å; E1053-S1056 PolarHBondContact O-N 3.44Å; E1053-S1056 WeakPolarHBondContact OE2-CB 3.32Å; E1053-S1056 PolarHBondContact OE2-OG 3.02Å; E1053-N1057 WeakPolarHBondContact O-CA 3.48Å; E1053-N1057 PolarHBondContact O-N 3.13Å; E1053-I1058 PolarHBondContact N-O 2.9Å |
| 1054 | L | 88 | Confident | 92.4 | Very high | 80 Ų | 80 | 42.9 Ų | 42.9 | 42% | 0.419 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -28.8 | -170.3 | -56.2 | 167 | 0 | 0 | 0 | 112.8 | Y1027 N1030 M1032 | Y1027-L1054 HydrophobicContact CD1-CD1 3.98Å; Y1027-L1054 HydrophobicContact CE1-CD1 4.1Å; Y1027-L1054 HydrophobicContact CE1-CD2 4.25Å; N1030-L1054 WeakPolarHBondContact O-CG 3.5Å; N1030-L1054 PolarHBondContact O-N 2.77Å; N1030-L1054 WeakPolarHBondContact OD1-CB 3.46Å; M1032-L1054 HydrophobicContact CB-CD2 4.03Å |
| 1055 | S | 84.1 | Confident | 92.6 | Very high | 86 Ų | 86 | 43.1 Ų | 43.1 | 60% | 0.601 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -39.2 | 179.4 | 51.6 | 0 | 0 | 0 | 0 | 113.6 | N1030 E1053 | N1030-S1055 VanDerWaalsContact ND2-CB 3.34Å; N1030-S1055 WeakPolarHBondContact ND2-CB 3.18Å; N1030-S1055 PolarHBondContact ND2-OG 3.29Å; N1030-S1055 PolarHBondContact OD1-N 3.2Å; E1053-S1055 VanDerWaalsContact C-N 3.33Å; E1053-S1055 WeakPolarHBondContact CG-OG 3.36Å; E1053-S1055 PolarHBondContact O-N 3Å |
| 1056 | S | 85.7 | Confident | 92.7 | Very high | 49 Ų | 49 | 43.4 Ų | 43.4 | 34% | 0.343 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -16.3 | 179 | 64.8 | 0 | 0 | 0 | 0 | 112.8 | E1053 I1058 | E1053-S1056 PolarHBondContact O-N 3.44Å; E1053-S1056 WeakPolarHBondContact OE2-CB 3.32Å; E1053-S1056 PolarHBondContact OE2-OG 3.02Å; S1056-I1058 PolarHBondContact O-N 3.21Å; S1056-I1058 WeakPolarHBondContact OG-CB 3.39Å; S1056-I1058 PolarHBondContact OG-N 3.39Å |
| 1057 | N | 85.4 | Confident | 92.7 | Very high | 127 Ų | 127 | 43.5 Ų | 43.5 | 68% | 0.679 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 25.1 | -170 | -155.4 | 32.4 | 0 | 0 | 0 | 113.2 | E1053 | E1053-N1057 WeakPolarHBondContact O-CA 3.48Å; E1053-N1057 PolarHBondContact O-N 3.13Å |
| 1058 | I | 89.6 | Confident | 92.3 | Very high | 101 Ų | 101 | 45.8 Ų | 45.8 | 52% | 0.518 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 125.7 | 175.2 | -64.1 | 169.7 | 0 | 0 | 0 | 107.9 | F982 T1052 E1053 S1056 | F982-I1058 HydrophobicContact CE2-CG2 4.5Å; F982-I1058 WeakPolarHBondContact CE2-O 3.38Å; F982-I1058 HydrophobicContact CZ-CB 4.02Å; F982-I1058 HydrophobicContact CZ-CG2 4.02Å; T1052-I1058 WeakPolarHBondContact CA-O 3.47Å; E1053-I1058 PolarHBondContact N-O 2.9Å; S1056-I1058 PolarHBondContact O-N 3.21Å; S1056-I1058 WeakPolarHBondContact OG-CB 3.39Å; S1056-I1058 PolarHBondContact OG-N 3.39Å |
| 1059 | S | 91.1 | Very high | 91.7 | Very high | 76 Ų | 76 | 45.3 Ų | 45.3 | 53% | 0.531 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 137.7 | 177.7 | 64.2 | 0 | 0 | 0 | 0 | 111.4 | V1051 T1052 | V1051-S1059 CarbonylContact O-C 3.49Å; V1051-S1059 VanDerWaalsContact O-CA 3.28Å; V1051-S1059 WeakPolarHBondContact O-CA 3.39Å; T1052-S1059 WeakPolarHBondContact OG1-CB 3.33Å |
| 1060 | Q | 92.5 | Very high | 90.9 | Very high | 27 Ų | 27 | 46.5 Ų | 46.5 | 13% | 0.126 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 153 | 171.9 | 64.4 | 174.3 | 5.9 | 0 | 0 | 111.2 | I981 F982 N985 V1051 V1062 | I981-Q1060 PolarHBondContact O-NE2 3.48Å; F982-Q1060 HydrophobicContact CD2-CG 4.25Å; F982-Q1060 HydrophobicContact CE2-CG 4.42Å; N985-Q1060 PolarHBondContact OD1-OE1 2.8Å; V1051-Q1060 HydrophobicContact CB-CG 4.13Å; V1051-Q1060 PolarHBondContact N-O 3.4Å; V1051-Q1060 PolarHBondContact O-N 3.23Å; Q1060-V1062 HydrophobicContact CG-CG2 4.15Å |
| 1061 | R | 93.4 | Very high | 89.2 | Confident | 158 Ų | 158 | 47.2 Ų | 47.2 | 60% | 0.596 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 134.8 | 173.9 | -69.1 | -177.6 | 178.8 | 178.4 | 0.6 | 109.6 | F1049 | F1049-R1061 WeakPolarHBondContact O-CA 3.43Å |
| 1062 | V | 95.7 | Very high | 87 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 128.6 | 179.5 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | I981 I986 A987 I989 F1049 V1051 Q1060 | I981-V1062 HydrophobicContact CG2-CG1 4.5Å; I981-V1062 HydrophobicContact CG2-CG2 4.17Å; I986-V1062 WeakPolarHBondContact O-CG2 3.4Å; A987-V1062 CarbonylContact O-C 3.5Å; A987-V1062 WeakPolarHBondContact O-CA 3.11Å; I989-V1062 HydrophobicContact CD1-CG1 3.72Å; I989-V1062 HydrophobicContact CG1-CG1 3.83Å; F1049-V1062 HydrophobicContact CB-CB 4.42Å; F1049-V1062 PolarHBondContact N-O 3.36Å; F1049-V1062 PolarHBondContact O-N 2.9Å; V1051-V1062 HydrophobicContact CB-CG2 4.31Å; V1051-V1062 HydrophobicContact CG2-CB 4.15Å; V1051-V1062 HydrophobicContact CG2-CG2 3.62Å; Q1060-V1062 HydrophobicContact CG-CG2 4.15Å |
| 1063 | I | 96.6 | Very high | 84.5 | Confident | 31 Ų | 31 | 50 Ų | 50 | 16% | 0.159 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 128.7 | 175.1 | -47.1 | 176.9 | 0 | 0 | 0 | 108.8 | A987 Q988 I989 V1046 R1047 Y1048 Y1065 A1133 | A987-I1063 PolarHBondContact O-N 3.22Å; Q988-I1063 CarbonylContact C-O 3.51Å; Q988-I1063 VanDerWaalsContact CA-O 3.3Å; Q988-I1063 WeakPolarHBondContact CA-O 3.25Å; Q988-I1063 HydrophobicContact CG-CB 4.47Å; I989-I1063 PolarHBondContact N-O 2.87Å; V1046-I1063 HydrophobicContact CG1-CG2 3.66Å; R1047-I1063 WeakPolarHBondContact O-CA 3.15Å; Y1048-I1063 HydrophobicContact CD1-CD1 4.34Å; Y1048-I1063 HydrophobicContact CD1-CG1 3.89Å; Y1048-I1063 HydrophobicContact CD1-CG2 4.31Å; Y1048-I1063 HydrophobicContact CE1-CD1 3.85Å; Y1048-I1063 HydrophobicContact CE1-CG1 3.89Å; Y1048-I1063 HydrophobicContact CE1-CG2 4.07Å; I1063-Y1065 HydrophobicContact CB-CE2 3.88Å; I1063-Y1065 HydrophobicContact CG2-CD2 4.11Å; I1063-Y1065 HydrophobicContact CG2-CE1 4.26Å; I1063-Y1065 HydrophobicContact CG2-CE2 3.43Å; I1063-Y1065 VanDerWaalsContact CG2-CE2 3.43Å; I1063-A1133 HydrophobicContact CD1-CB 4.49Å |
| 1064 | H | 96.8 | Very high | 81.9 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 119.5 | -179.5 | 170.4 | -83.4 | 0 | 0 | 0 | 110.9 | I989 Y1006 V1046 R1047 F1049 | I989-H1064 HydrophobicContact CB-CB 4.4Å; Y1006-H1064 AromaticContact CZ-CD2 3.95Å; Y1006-H1064 AromaticContact CZ-NE2 3.7Å; Y1006-H1064 PolarHBondContact OH-CD2 3.06Å; Y1006-H1064 PolarHBondContact OH-NE2 3.38Å; V1046-H1064 CarbonylContact C-O 3.49Å; V1046-H1064 WeakPolarHBondContact CA-O 3.14Å; R1047-H1064 HydrophobicContact CB-CB 4.33Å; R1047-H1064 PolarHBondContact N-O 2.78Å; R1047-H1064 PolarHBondContact O-N 2.63Å; F1049-H1064 HydrophobicContact CD2-CB 3.96Å; F1049-H1064 HydrophobicContact CE2-CB 3.38Å; F1049-H1064 AromaticContact CE2-CG 3.89Å; F1049-H1064 HydrophobicContact CZ-CB 4.29Å |
| 1065 | Y | 97.4 | Very high | 79 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 117.4 | -179.5 | -61.8 | -91.9 | 0 | 0 | 0 | 109.7 | Q988 I989 M991 V1046 I1063 R1129 V1130 A1133 | Q988-Y1065 HydrophobicContact CG-CE2 4.36Å; I989-Y1065 WeakPolarHBondContact O-CD2 3.42Å; I989-Y1065 PolarHBondContact O-N 3Å; M991-Y1065 PolarHBondContact N-O 2.84Å; V1046-Y1065 HydrophobicContact CG1-CD1 4.19Å; V1046-Y1065 HydrophobicContact CG1-CE1 3.97Å; V1046-Y1065 HydrophobicContact CG2-CD1 3.69Å; V1046-Y1065 HydrophobicContact CG2-CE1 3.9Å; I1063-Y1065 HydrophobicContact CB-CE2 3.88Å; I1063-Y1065 HydrophobicContact CG2-CD2 4.11Å; I1063-Y1065 HydrophobicContact CG2-CE1 4.26Å; I1063-Y1065 HydrophobicContact CG2-CE2 3.43Å; I1063-Y1065 VanDerWaalsContact CG2-CE2 3.43Å; Y1065-R1129 HydrophobicContact CE1-CB 4.43Å; Y1065-R1129 HydrophobicContact CE1-CG 3.98Å; Y1065-V1130 HydrophobicContact CD1-CG2 3.74Å; Y1065-V1130 HydrophobicContact CD2-CG2 3.93Å; Y1065-V1130 HydrophobicContact CE1-CG2 4.1Å; Y1065-V1130 HydrophobicContact CE2-CG1 4.48Å; Y1065-V1130 HydrophobicContact CE2-CG2 4.27Å; Y1065-V1130 HydrophobicContact CG-CG2 3.66Å; Y1065-A1133 WeakPolarHBondContact OH-CB 3.32Å |
| 1066 | Q | 95.4 | Very high | 76.5 | Confident | 14 Ų | 14 | 55.2 Ų | 55.2 | 7% | 0.065 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 110.1 | 178.1 | -174.1 | -178.8 | 7.9 | 0 | 0 | 111.2 | M991 F1044 T1045 | M991-Q1066 HydrophobicContact CB-CB 4.33Å; M991-Q1066 HydrophobicContact CB-CG 4.26Å; M991-Q1066 HydrophobicContact CG-CG 4.05Å; M991-Q1066 WeakPolarHBondContact O-CA 3.48Å; M991-Q1066 HydrophobicContact SD-CG 3.91Å; F1044-Q1066 CarbonylContact C-O 3.58Å; F1044-Q1066 WeakPolarHBondContact CA-O 3.29Å; F1044-Q1066 WeakPolarHBondContact CB-O 3.2Å; T1045-Q1066 PolarHBondContact N-O 2.93Å; T1045-Q1066 PolarHBondContact O-N 2.99Å |
| 1067 | F | 93.1 | Very high | 73.9 | Confident | 3 Ų | 3 | 61 Ų | 61 | 1% | 0.013 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 101.9 | 173.3 | -169.1 | -95.6 | 0 | 0 | 0 | 110.6 | M991 L992 H1043 F1044 W1070 N1122 F1123 F1126 | M991-F1067 PolarHBondContact O-N 2.93Å; L992-F1067 HydrophobicContact CD2-CB 4.24Å; H1043-F1067 HydrophobicContact CB-CE2 4.13Å; F1044-F1067 HydrophobicContact CB-CB 4.45Å; F1044-F1067 HydrophobicContact CB-CD2 3.99Å; F1044-F1067 HydrophobicContact CD1-CD2 4.37Å; F1067-W1070 HydrophobicContact CD1-CB 3.85Å; F1067-W1070 HydrophobicContact CD1-CE3 4.32Å; F1067-W1070 HydrophobicContact CE1-CB 3.85Å; F1067-N1122 HydrophobicContact CE2-CB 4.5Å; F1067-F1123 HydrophobicContact CE1-CD2 4.32Å; F1067-F1123 HydrophobicContact CZ-CB 4.27Å; F1067-F1123 HydrophobicContact CZ-CD2 4.39Å; F1067-F1126 HydrophobicContact CB-CD1 4.28Å; F1067-F1126 HydrophobicContact CB-CD2 4.01Å; F1067-F1126 HydrophobicContact CB-CE1 4.07Å; F1067-F1126 HydrophobicContact CB-CE2 3.74Å; F1067-F1126 HydrophobicContact CB-CG 4.24Å; F1067-F1126 HydrophobicContact CB-CZ 3.78Å; F1067-F1126 HydrophobicContact CD2-CB 3.73Å; F1067-F1126 HydrophobicContact CD2-CD1 4.14Å; F1067-F1126 AromaticContact CD2-CD2 3.87Å; F1067-F1126 HydrophobicContact CD2-CD2 3.87Å; F1067-F1126 HydrophobicContact CD2-CE2 4.47Å; F1067-F1126 AromaticContact CD2-CG 3.65Å; F1067-F1126 HydrophobicContact CD2-CG 3.65Å; F1067-F1126 HydrophobicContact CE2-CB 4.07Å; F1067-F1126 HydrophobicContact CE2-CG 4.45Å; F1067-F1126 HydrophobicContact CG-CD1 4.42Å; F1067-F1126 HydrophobicContact CG-CD2 4.4Å; F1067-F1126 HydrophobicContact CG-CG 4.28Å |
| 1068 | Y | 86.5 | Confident | 71.2 | Confident | 62 Ų | 62 | 62.1 Ų | 62.1 | 24% | 0.243 | 31% | 0.308 | C | S | . | . | trans | -95.5 | -14.2 | -174.9 | 53.4 | -105.9 | 0 | 0 | 0 | 114.2 | N994 Y1041 P1042 H1043 F1044 W1070 | N994-Y1068 PolarHBondContact ND2-O 3.43Å; N994-Y1068 WeakPolarHBondContact OD1-CA 2.94Å; N994-Y1068 WeakPolarHBondContact OD1-CB 3.34Å; Y1041-Y1068 PolarHBondContact O-OH 2.85Å; P1042-Y1068 VanDerWaalsContact C-OH 3.24Å; P1042-Y1068 VanDerWaalsContact O-CE2 3.28Å; P1042-Y1068 WeakPolarHBondContact O-CE2 3.45Å; P1042-Y1068 PolarHBondContact O-OH 2.87Å; H1043-Y1068 VanDerWaalsContact C-CZ 3.48Å; H1043-Y1068 PolarHBondContact O-N 2.95Å; F1044-Y1068 VanDerWaalsContact C-CE1 3.42Å; Y1068-W1070 PolarHBondContact O-N 3.34Å | ||
| 1069 | S | 81.3 | Confident | 68.2 | Low | 31 Ų | 31 | 64.1 Ų | 64.1 | 22% | 0.217 | 32% | 0.318 | C | S | . | . | trans | -78.4 | 9.2 | -179 | -70 | 0 | 0 | 0 | 0 | 114.7 | H1043 I1071 | H1043-S1069 WeakPolarHBondContact CA-OG 3.42Å; H1043-S1069 WeakPolarHBondContact CB-OG 3.48Å; H1043-S1069 PolarHBondContact ND1-OG 3.18Å; H1043-S1069 PolarHBondContact O-N 3.34Å; H1043-S1069 PolarHBondContact O-OG 3.41Å; S1069-I1071 VanDerWaalsContact C-N 3.27Å; S1069-I1071 PolarHBondContact O-N 3.16Å; S1069-I1071 VanDerWaalsContact O-N 3.13Å | ||
| 1070 | W | 79.5 | Confident | 65.1 | Low | 25 Ų | 25 | 65 Ų | 65 | 10% | 0.095 | 32% | 0.324 | C | S | . | . | trans | -87.1 | 64.9 | 174.1 | -156.2 | -26.6 | 0 | 0 | 0 | 111.1 | L992 F1067 Y1068 F1118 F1123 R1151 L1154 | L992-W1070 HydrophobicContact CB-CE3 4.31Å; L992-W1070 HydrophobicContact CB-CZ3 4.37Å; L992-W1070 HydrophobicContact CD1-CZ3 4.32Å; L992-W1070 HydrophobicContact CD2-CE3 4.48Å; L992-W1070 HydrophobicContact CD2-CZ3 4.31Å; F1067-W1070 HydrophobicContact CD1-CB 3.85Å; F1067-W1070 HydrophobicContact CD1-CE3 4.32Å; F1067-W1070 HydrophobicContact CE1-CB 3.85Å; Y1068-W1070 PolarHBondContact O-N 3.34Å; W1070-F1118 AromaticContact CD1-CD2 3.9Å; W1070-F1118 AromaticContact CD2-CD2 4Å; W1070-F1118 HydrophobicContact CD2-CD2 4Å; W1070-F1118 AromaticContact CD2-CE2 3.72Å; W1070-F1118 HydrophobicContact CD2-CE2 3.72Å; W1070-F1118 AromaticContact CE2-CD2 3.71Å; W1070-F1118 AromaticContact CE2-CE2 3.6Å; W1070-F1118 HydrophobicContact CE3-CE2 4.03Å; W1070-F1118 HydrophobicContact CG-CD2 4.11Å; W1070-F1118 HydrophobicContact CG-CE2 4.24Å; W1070-F1118 HydrophobicContact CH2-CE2 4.15Å; W1070-F1118 HydrophobicContact CZ2-CD2 4.23Å; W1070-F1118 AromaticContact CZ2-CE2 3.83Å; W1070-F1118 HydrophobicContact CZ2-CE2 3.83Å; W1070-F1118 HydrophobicContact CZ3-CE2 4.23Å; W1070-F1118 AromaticContact NE1-CD2 3.62Å; W1070-F1123 HydrophobicContact CE3-CE2 4.24Å; W1070-F1123 HydrophobicContact CH2-CE2 4.44Å; W1070-F1123 HydrophobicContact CZ3-CD2 4.37Å; W1070-F1123 AromaticContact CZ3-CE2 3.7Å; W1070-F1123 HydrophobicContact CZ3-CE2 3.7Å; W1070-F1123 HydrophobicContact CZ3-CZ 4.38Å; W1070-R1151 HydrophobicContact CD2-CG 4.02Å; W1070-R1151 HydrophobicContact CE3-CB 4.12Å; W1070-R1151 HydrophobicContact CE3-CG 4.11Å; W1070-R1151 HydrophobicContact CH2-CB 3.61Å; W1070-R1151 HydrophobicContact CH2-CG 3.79Å; W1070-R1151 HydrophobicContact CZ2-CB 4.08Å; W1070-R1151 HydrophobicContact CZ2-CG 3.71Å; W1070-R1151 HydrophobicContact CZ3-CB 3.65Å; W1070-R1151 HydrophobicContact CZ3-CG 4Å; W1070-L1154 HydrophobicContact CH2-CB 4.05Å; W1070-L1154 HydrophobicContact CH2-CD2 3.36Å; W1070-L1154 HydrophobicContact CH2-CG 4.3Å; W1070-L1154 HydrophobicContact CZ2-CD2 3.64Å; W1070-L1154 HydrophobicContact CZ3-CD2 4.46Å | ||
| 1071 | I | 59.6 | Low | 62.1 | Low | 63 Ų | 63 | 69.4 Ų | 69.4 | 32% | 0.323 | 36% | 0.356 | S | S | . | . | trans | -77.3 | 128.2 | -176.3 | -59.3 | 170.1 | 0 | 0 | 0 | 109.8 | S1069 Y1075 | S1069-I1071 VanDerWaalsContact C-N 3.27Å; S1069-I1071 PolarHBondContact O-N 3.16Å; S1069-I1071 VanDerWaalsContact O-N 3.13Å; I1071-Y1075 HydrophobicContact CG2-CG 4.4Å | ||
| 1072 | T | 49.6 | Very low | 58.8 | Low | 43 Ų | 43 | 67 Ų | 67 | 26% | 0.264 | 36% | 0.362 | S | S | . | . | trans | -76.5 | 142.9 | 168.1 | 27.9 | 0 | 0 | 0 | 0 | 110.2 | D998 D1074 | D998-T1072 WeakPolarHBondContact OD2-CB 3.35Å; D998-T1072 PolarHBondContact OD2-OG1 3.18Å; T1072-D1074 PolarHBondContact O-N 3.23Å | ||
| 1073 | P | 40.9 | Very low | 55.6 | Low | 27 Ų | 27 | 77 Ų | 77 | 18% | 0.175 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -51.7 | -10.4 | -166.1 | -37 | 39.9 | 0 | 0 | 0 | 120.9 | T1111 | P1073-T1111 HydrophobicContact CB-CG2 3.74Å; P1073-T1111 HydrophobicContact CG-CG2 3.82Å |
| 1074 | D | 37.4 | Very low | 52.1 | Low | 81 Ų | 81 | 84.8 Ų | 84.8 | 43% | 0.433 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -87.6 | -7.8 | -169.2 | -64.1 | -19.2 | 0 | 0 | 0 | 113.4 | T1072 V1076 | T1072-D1074 PolarHBondContact O-N 3.23Å; D1074-V1076 PolarHBondContact O-N 2.86Å; D1074-V1076 VanDerWaalsContact O-N 3.08Å |
| 1075 | Y | 28.4 | Very low | 48.7 | Very low | 160 Ų | 160 | 92.4 Ų | 92.4 | 63% | 0.627 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -66.2 | -10.2 | -178.1 | -165.4 | -104.5 | 0 | 0 | 0 | 115.3 | I1071 | I1071-Y1075 HydrophobicContact CG2-CG 4.4Š|
| 1076 | V | 30.6 | Very low | 45.4 | Very low | 77 Ų | 77 | 98.7 Ų | 98.7 | 47% | 0.467 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -82.8 | -11.8 | -175.9 | -172.2 | 0 | 0 | 0 | 0 | 113.5 | D1074 | D1074-V1076 PolarHBondContact O-N 2.86Å; D1074-V1076 VanDerWaalsContact O-N 3.08Å |
| 1077 | Q | 31.6 | Very low | 42.2 | Very low | 171 Ų | 171 | 105 Ų | 105 | 80% | 0.799 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -83.3 | -9.5 | -177.7 | -72.4 | -164.9 | -8.2 | 0 | 0 | 115.9 | ||
| 1078 | N | 27.6 | Very low | 39 | Very low | 149 Ų | 149 | 112.8 Ų | 112.8 | 80% | 0.797 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -111.7 | 24.3 | -174.2 | -81.7 | -20 | 0 | 0 | 0 | 115.5 | S1080 | N1078-S1080 PolarHBondContact O-N 3.25Å; N1078-S1080 VanDerWaalsContact O-N 3.14Å |
| 1079 | I | 27.1 | Very low | 36.2 | Very low | 143 Ų | 143 | 115.9 Ų | 115.9 | 73% | 0.733 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -76.9 | 100.6 | 162.3 | -59.7 | 175 | 0 | 0 | 0 | 107.5 | ||
| 1080 | S | 26.8 | Very low | 33.7 | Very low | 94 Ų | 94 | 120.6 Ų | 120.6 | 66% | 0.657 | 65% | 0.646 | S | S | * | * | trans | 9.2 | 112.6 | 174.8 | -157.7 | 0 | 0 | 0 | 0 | 117.6 | N1078 C1082 | N1078-S1080 PolarHBondContact O-N 3.25Å; N1078-S1080 VanDerWaalsContact O-N 3.14Å; S1080-C1082 VanDerWaalsContact C-N 3.31Å; S1080-C1082 PolarHBondContact O-N 3.08Å | ||
| 1081 | P | 27.8 | Very low | 31.2 | Very low | 121 Ų | 121 | 128.1 Ų | 128.1 | 79% | 0.786 | 68% | 0.683 | S | S | * | * | trans | -74.7 | 80.3 | 178.4 | 30.8 | -32.7 | 0 | 0 | 0 | 111 | F1083 | P1081-F1083 VanDerWaalsContact C-N 3.27Å; P1081-F1083 PolarHBondContact O-N 3Å | ||
| 1082 | C | 25.1 | Very low | 29.7 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 73% | 0.73 | 70% | 0.702 | S | S | * | * | trans | -88.7 | 53.9 | 173.3 | -146.8 | 0 | 0 | 0 | 0 | 111.3 | S1080 | S1080-C1082 VanDerWaalsContact C-N 3.31Å; S1080-C1082 PolarHBondContact O-N 3.08Å | ||
| 1083 | F | 27.6 | Very low | 28.8 | Very low | 211 Ų | 211 | 137.6 Ų | 137.6 | 93% | 0.925 | 73% | 0.732 | S | S | * | * | trans | -159 | 69.1 | 164 | -85.6 | -71.7 | 0 | 0 | 0 | 109.6 | P1081 | P1081-F1083 VanDerWaalsContact C-N 3.27Å; P1081-F1083 PolarHBondContact O-N 3Å | ||
| 1084 | K | 23.8 | Very low | 28.1 | Very low | 194 Ų | 194 | 148 Ų | 148 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | trans | -82.7 | 103.4 | 155.6 | -80.3 | -174.7 | 177.2 | -179.4 | 0 | 107.2 | ||||
| 1085 | N | 26.6 | Very low | 27.6 | Very low | 159 Ų | 159 | 153.6 Ų | 153.6 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | 174.1 | 81.7 | 149.2 | -91.7 | -12.7 | 0 | 0 | 0 | 108.9 | ||||
| 1086 | V | 28.1 | Very low | 27.5 | Very low | 136 Ų | 136 | 154.6 Ų | 154.6 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -149.1 | 100.7 | 144.4 | -175.7 | 0 | 0 | 0 | 0 | 107.4 | ||
| 1087 | D | 26.9 | Very low | 27.4 | Very low | 146 Ų | 146 | 157.2 Ų | 157.2 | 78% | 0.781 | 81% | 0.812 | S | S | * | * | trans | 41.5 | 114 | 148.3 | -59.6 | -30.7 | 0 | 0 | 0 | 122 | T1089 | D1087-T1089 PolarHBondContact O-N 2.71Š| ||
| 1088 | N | 27.1 | Very low | 27.3 | Very low | 168 Ų | 168 | 158.2 Ų | 158.2 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | trans | -49.8 | 108.6 | 157.6 | -63.9 | -36.1 | 0 | 0 | 0 | 111.7 | ||||
| 1089 | T | 27.4 | Very low | 27.5 | Very low | 127 Ų | 127 | 158.6 Ų | 158.6 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | trans | -148.6 | 142.6 | 148.8 | 41.2 | 0 | 0 | 0 | 0 | 110.7 | D1087 | D1087-T1089 PolarHBondContact O-N 2.71Š| ||
| 1090 | V | 28.3 | Very low | 27.7 | Very low | 130 Ų | 130 | 157.7 Ų | 157.7 | 79% | 0.788 | 82% | 0.815 | S | S | * | * | trans | 87.5 | 69.3 | 168.4 | -155.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1091 | E | 26.5 | Very low | 27.8 | Very low | 183 Ų | 183 | 161 Ų | 161 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | trans | -73.2 | 108.9 | 144 | -170.8 | 173.2 | -145.2 | 0 | 0 | 108.2 | ||||
| 1092 | N | 28.5 | Very low | 27.8 | Very low | 137 Ų | 137 | 164.5 Ų | 164.5 | 73% | 0.733 | 83% | 0.827 | S | S | * | * | trans | 164.8 | 105.4 | 151.5 | -85.7 | -26.7 | 0 | 0 | 0 | 109.7 | ||||
| 1093 | D | 29.9 | Very low | 27.9 | Very low | 168 Ų | 168 | 165.6 Ų | 165.6 | 90% | 0.898 | 83% | 0.826 | S | S | * | * | trans | 170.2 | 40.9 | 145.7 | -84.8 | -15.8 | 0 | 0 | 0 | 112.4 | K1095 | D1093-K1095 PolarHBondContact O-N 3.13Å; D1093-K1095 VanDerWaalsContact O-N 3.12Å | ||
| 1094 | R | 26.5 | Very low | 27.9 | Very low | 246 Ų | 246 | 160.2 Ų | 160.2 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | trans | -78.2 | 85 | 162 | -83 | -177.6 | 173.7 | 162.9 | -1.2 | 109.2 | ||||
| 1095 | K | 27.4 | Very low | 28.1 | Very low | 198 Ų | 198 | 160 Ų | 160 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | trans | -179.6 | 84.7 | 153.3 | -103.5 | 167.9 | -173.6 | -177 | 0 | 111.3 | D1093 | D1093-K1095 PolarHBondContact O-N 3.13Å; D1093-K1095 VanDerWaalsContact O-N 3.12Å | ||
| 1096 | M | 25.5 | Very low | 28.1 | Very low | 180 Ų | 180 | 157.9 Ų | 157.9 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | 170.4 | 105.4 | 141.5 | -99.9 | -153.9 | 175.7 | 0 | 0 | 107.8 | ||||
| 1097 | N | 28.7 | Very low | 28 | Very low | 132 Ų | 132 | 158.1 Ų | 158.1 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | -179 | 70.2 | 145.1 | -92.5 | -23.6 | 0 | 0 | 0 | 110.3 | N1099 L1100 | N1097-N1099 VanDerWaalsContact C-N 3.27Å; N1097-L1100 HydrophobicContact CB-CD1 4.28Å | ||
| 1098 | E | 30.9 | Very low | 28 | Very low | 193 Ų | 193 | 159.6 Ų | 159.6 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -86.5 | 7.7 | 163 | -109.8 | -171.5 | 169.6 | 0 | 0 | 112.9 | ||
| 1099 | N | 32 | Very low | 27.8 | Very low | 156 Ų | 156 | 156.6 Ų | 156.6 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -102.4 | 11.3 | 179.3 | -82.3 | -25.4 | 0 | 0 | 0 | 115.2 | N1097 | N1097-N1099 VanDerWaalsContact C-N 3.27Š| ||
| 1100 | L | 29.5 | Very low | 27.6 | Very low | 124 Ų | 124 | 157.9 Ų | 157.9 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -88.5 | 0.5 | 178.8 | -94.7 | 159 | 0 | 0 | 0 | 115.1 | N1097 K1102 | N1097-L1100 HydrophobicContact CB-CD1 4.28Å; L1100-K1102 VanDerWaalsContact C-N 3.29Å; L1100-K1102 PolarHBondContact O-N 3.3Å |
| 1101 | L | 29.6 | Very low | 27.5 | Very low | 165 Ų | 165 | 154.6 Ų | 154.6 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -82.7 | 8.5 | -178.3 | -131.8 | 94.3 | 0 | 0 | 0 | 115.7 | ||
| 1102 | K | 28.9 | Very low | 27.3 | Very low | 193 Ų | 193 | 149.1 Ų | 149.1 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -112.3 | 0.7 | 180 | -88.1 | -174.1 | 177.1 | 177.5 | 0 | 117.1 | L1100 | L1100-K1102 VanDerWaalsContact C-N 3.29Å; L1100-K1102 PolarHBondContact O-N 3.3Å |
| 1103 | N | 26.3 | Very low | 27.3 | Very low | 132 Ų | 132 | 149.5 Ų | 149.5 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | -119.7 | 35.8 | 177 | -76.4 | -7.1 | 0 | 0 | 0 | 113.8 | Q1105 | N1103-Q1105 PolarHBondContact O-N 2.79Š| ||
| 1104 | S | 26.6 | Very low | 27.2 | Very low | 98 Ų | 98 | 151.1 Ų | 151.1 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 17.4 | 178.4 | 52.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1105 | Q | 28 | Very low | 27.5 | Very low | 189 Ų | 189 | 140.1 Ų | 140.1 | 88% | 0.883 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | -6.6 | 176.1 | -75.3 | -173.7 | -14.2 | 0 | 0 | 115 | N1103 | N1103-Q1105 PolarHBondContact O-N 2.79Š|
| 1106 | D | 27.3 | Very low | 28.1 | Very low | 114 Ų | 114 | 134 Ų | 134 | 61% | 0.61 | 70% | 0.696 | S | S | * | * | trans | -105.9 | 18.4 | 179.5 | -79.8 | -29.1 | 0 | 0 | 0 | 114.5 | F1108 C1109 | D1106-F1108 PolarHBondContact O-N 3.28Å; D1106-C1109 PolarHBondContact O-N 3.22Å | ||
| 1107 | L | 26.2 | Very low | 29.5 | Very low | 142 Ų | 142 | 129.9 Ų | 129.9 | 74% | 0.743 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 15.8 | -176 | -139.5 | 87.9 | 0 | 0 | 0 | 115.6 | ||
| 1108 | F | 26.8 | Very low | 31.6 | Very low | 176 Ų | 176 | 125 Ų | 125 | 77% | 0.772 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.1 | 7.3 | -179.6 | -71.1 | -74.8 | 0 | 0 | 0 | 115.4 | D1106 | D1106-F1108 PolarHBondContact O-N 3.28Š|
| 1109 | C | 23.8 | Very low | 33.8 | Very low | 106 Ų | 106 | 118.4 Ų | 118.4 | 72% | 0.716 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -108.1 | 3 | 178.2 | -78.6 | 0 | 0 | 0 | 0 | 115.3 | D1106 | D1106-C1109 PolarHBondContact O-N 3.22Š|
| 1110 | H | 22 | Very low | 36.3 | Very low | 153 Ų | 153 | 112.9 Ų | 112.9 | 71% | 0.708 | 59% | 0.588 | S | S | * | * | trans | -99.8 | 88.7 | 177.9 | -70.6 | -75.7 | 0 | 0 | 0 | 111 | ||||
| 1111 | T | 26 | Very low | 39 | Very low | 62 Ų | 62 | 107.2 Ų | 107.2 | 38% | 0.38 | 56% | 0.558 | S | S | . | * | trans | -135.9 | 122.3 | 164.7 | 57 | 0 | 0 | 0 | 0 | 110.1 | P1073 | P1073-T1111 HydrophobicContact CB-CG2 3.74Å; P1073-T1111 HydrophobicContact CG-CG2 3.82Å | ||
| 1112 | S | 23.7 | Very low | 41.7 | Very low | 68 Ų | 68 | 99.5 Ų | 99.5 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | trans | -61.4 | 155.7 | -179.1 | 60.2 | 0 | 0 | 0 | 0 | 112.5 | Y1114 G1115 | S1112-Y1114 PolarHBondContact O-N 3.27Å; S1112-G1115 PolarHBondContact O-N 3.38Å | ||
| 1113 | T | 27.4 | Very low | 44.6 | Very low | 144 Ų | 144 | 90.3 Ų | 90.3 | 88% | 0.883 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 4.5 | -170.4 | -2.3 | 0 | 0 | 0 | 0 | 116 | ||
| 1114 | Y | 28.6 | Very low | 47.6 | Very low | 203 Ų | 203 | 84.1 Ų | 84.1 | 80% | 0.796 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | 9.7 | -175.8 | -70.8 | -81 | 0 | 0 | 0 | 114.5 | S1112 | S1112-Y1114 PolarHBondContact O-N 3.27Š|
| 1115 | G | 31.9 | Very low | 50.5 | Low | 14 Ų | 14 | 81.5 Ų | 81.5 | 14% | 0.144 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -66.5 | 127.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1112 I1117 | S1112-G1115 PolarHBondContact O-N 3.38Å; G1115-I1117 PolarHBondContact O-N 3.16Å |
| 1116 | T | 41.1 | Very low | 53.6 | Low | 69 Ų | 69 | 72.5 Ų | 72.5 | 42% | 0.423 | 38% | 0.379 | S | S | . | . | trans | -37.5 | 116.4 | 175.2 | 40 | 0 | 0 | 0 | 0 | 112.9 | F1118 | T1116-F1118 PolarHBondContact O-N 3.31Š| ||
| 1117 | I | 55.1 | Low | 56.7 | Low | 95 Ų | 95 | 67.6 Ų | 67.6 | 49% | 0.487 | 35% | 0.352 | S | S | . | . | trans | -68.9 | 124.2 | -178.2 | -65.3 | 162.1 | 0 | 0 | 0 | 108.3 | G1115 N1119 | G1115-I1117 PolarHBondContact O-N 3.16Å; I1117-N1119 PolarHBondContact O-N 3.08Å; I1117-N1119 VanDerWaalsContact O-N 3.11Å | ||
| 1118 | F | 71.3 | Confident | 59.7 | Low | 28 Ų | 28 | 62.2 Ų | 62.2 | 12% | 0.123 | 32% | 0.322 | C | S | . | . | trans | -47.4 | 117.6 | 171.8 | 172.8 | -89.5 | 0 | 0 | 0 | 110.3 | W1070 T1116 R1120 F1123 L1154 L1196 L1200 | W1070-F1118 AromaticContact CD1-CD2 3.9Å; W1070-F1118 AromaticContact CD2-CD2 4Å; W1070-F1118 HydrophobicContact CD2-CD2 4Å; W1070-F1118 AromaticContact CD2-CE2 3.72Å; W1070-F1118 HydrophobicContact CD2-CE2 3.72Å; W1070-F1118 AromaticContact CE2-CD2 3.71Å; W1070-F1118 AromaticContact CE2-CE2 3.6Å; W1070-F1118 HydrophobicContact CE3-CE2 4.03Å; W1070-F1118 HydrophobicContact CG-CD2 4.11Å; W1070-F1118 HydrophobicContact CG-CE2 4.24Å; W1070-F1118 HydrophobicContact CH2-CE2 4.15Å; W1070-F1118 HydrophobicContact CZ2-CD2 4.23Å; W1070-F1118 AromaticContact CZ2-CE2 3.83Å; W1070-F1118 HydrophobicContact CZ2-CE2 3.83Å; W1070-F1118 HydrophobicContact CZ3-CE2 4.23Å; W1070-F1118 AromaticContact NE1-CD2 3.62Å; T1116-F1118 PolarHBondContact O-N 3.31Å; F1118-R1120 HydrophobicContact CD1-CG 4.46Å; F1118-R1120 PolarHBondContact O-N 3.23Å; F1118-F1123 HydrophobicContact CE1-CB 4.12Å; F1118-F1123 HydrophobicContact CE1-CG 4.33Å; F1118-F1123 HydrophobicContact CE2-CB 4.28Å; F1118-F1123 HydrophobicContact CE2-CD2 4Å; F1118-F1123 HydrophobicContact CE2-CG 4.18Å; F1118-F1123 HydrophobicContact CZ-CB 3.58Å; F1118-F1123 AromaticContact CZ-CD1 3.94Å; F1118-F1123 HydrophobicContact CZ-CD1 3.94Å; F1118-F1123 AromaticContact CZ-CD2 3.74Å; F1118-F1123 HydrophobicContact CZ-CD2 3.74Å; F1118-F1123 HydrophobicContact CZ-CE2 4.37Å; F1118-F1123 AromaticContact CZ-CG 3.47Å; F1118-F1123 HydrophobicContact CZ-CG 3.47Å; F1118-F1123 VanDerWaalsContact CZ-CG 3.47Å; F1118-L1154 HydrophobicContact CZ-CD2 4.48Å; F1118-L1196 HydrophobicContact CD1-CD1 3.49Å; F1118-L1196 VanDerWaalsContact CD1-CD1 3.49Å; F1118-L1196 HydrophobicContact CD1-CD2 3.64Å; F1118-L1196 HydrophobicContact CD1-CG 4.12Å; F1118-L1196 HydrophobicContact CD2-CD2 4.27Å; F1118-L1196 HydrophobicContact CE1-CD1 3.7Å; F1118-L1196 HydrophobicContact CE1-CD2 3.72Å; F1118-L1196 HydrophobicContact CE1-CG 4.07Å; F1118-L1196 HydrophobicContact CE2-CD2 4.34Å; F1118-L1196 HydrophobicContact CG-CD1 4.41Å; F1118-L1196 HydrophobicContact CG-CD2 3.91Å; F1118-L1196 HydrophobicContact CZ-CD2 4.05Å; F1118-L1200 HydrophobicContact CE1-CD1 4.38Å; F1118-L1200 HydrophobicContact CE1-CD2 4.05Å; F1118-L1200 HydrophobicContact CE1-CG 4.4Å; F1118-L1200 HydrophobicContact CZ-CD1 4.49Å | ||
| 1119 | N | 78.2 | Confident | 62.5 | Low | 55 Ų | 55 | 55.2 Ų | 55.2 | 29% | 0.294 | 29% | 0.291 | S | S | . | . | trans | -84.4 | 103.5 | -177.9 | -169.6 | -27.6 | 0 | 0 | 0 | 110.7 | I1117 L1121 N1122 F1123 | I1117-N1119 PolarHBondContact O-N 3.08Å; I1117-N1119 VanDerWaalsContact O-N 3.11Å; N1119-L1121 VanDerWaalsContact C-N 3.35Å; N1119-L1121 PolarHBondContact O-N 3.43Å; N1119-L1121 PolarHBondContact OD1-N 2.98Å; N1119-L1121 VanDerWaalsContact OD1-N 3.13Å; N1119-N1122 HydrophobicContact CB-CB 4.23Å; N1119-N1122 WeakPolarHBondContact CB-ND2 3.16Å; N1119-N1122 VanDerWaalsContact CG-CG 3.42Å; N1119-N1122 PolarHBondContact ND2-ND2 2.79Å; N1119-N1122 PolarHBondContact O-N 3.1Å; N1119-N1122 PolarHBondContact OD1-N 3.07Å; N1119-F1123 PolarHBondContact O-N 2.99Å | ||
| 1120 | R | 84.9 | Confident | 65.8 | Low | 41 Ų | 41 | 50.1 Ų | 50.1 | 16% | 0.155 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -53 | -47.1 | -179.5 | -50.1 | -177.8 | -86.3 | 178.8 | -6.7 | 112.6 | F1118 F1123 I1124 L1200 E1203 | F1118-R1120 HydrophobicContact CD1-CG 4.46Å; F1118-R1120 PolarHBondContact O-N 3.23Å; R1120-F1123 PolarHBondContact O-N 3.35Å; R1120-I1124 WeakPolarHBondContact O-CD1 3.45Å; R1120-I1124 VanDerWaalsContact O-CG1 3.28Å; R1120-I1124 WeakPolarHBondContact O-CG1 3.31Å; R1120-I1124 PolarHBondContact O-N 2.57Å; R1120-L1200 HydrophobicContact CB-CD2 4.27Å; R1120-E1203 HydrophobicContact CB-CG 4.21Å; R1120-E1203 IonicContact CZ-OE1 3.06Å; R1120-E1203 IonicContact NE-OE1 3.58Å; R1120-E1203 IonicContact NH1-OE1 3.13Å; R1120-E1203 PolarHBondContact NH1-OE1 3.31Å; R1120-E1203 IonicContact NH2-OE1 2.7Å; R1120-E1203 PolarHBondContact NH2-OE1 3Å |
| 1121 | L | 85.8 | Confident | 68.9 | Low | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69 | -40.6 | -173.2 | -55.5 | -178 | 0 | 0 | 0 | 111.1 | N1119 F1123 I1124 E1125 K1544 M1545 I1548 | N1119-L1121 VanDerWaalsContact C-N 3.35Å; N1119-L1121 PolarHBondContact O-N 3.43Å; N1119-L1121 PolarHBondContact OD1-N 2.98Å; N1119-L1121 VanDerWaalsContact OD1-N 3.13Å; L1121-F1123 VanDerWaalsContact C-N 3.29Å; L1121-F1123 PolarHBondContact O-N 2.86Å; L1121-I1124 PolarHBondContact O-N 3.27Å; L1121-E1125 PolarHBondContact O-N 2.81Å; L1121-K1544 HydrophobicContact CD1-CB 4.29Å; L1121-K1544 HydrophobicContact CD1-CD 4.25Å; L1121-K1544 HydrophobicContact CD1-CG 4.04Å; L1121-K1544 HydrophobicContact CD2-CD 4.17Å; L1121-M1545 HydrophobicContact CB-CE 3.55Å; L1121-M1545 HydrophobicContact CB-CG 3.78Å; L1121-M1545 HydrophobicContact CD1-CB 4.42Å; L1121-M1545 HydrophobicContact CD1-CG 3.68Å; L1121-M1545 HydrophobicContact CG-CG 4.41Å; L1121-M1545 VanDerWaalsContact O-CE 3.24Å; L1121-M1545 WeakPolarHBondContact O-CE 3.17Å; L1121-I1548 HydrophobicContact CD1-CD1 3.5Å; L1121-I1548 VanDerWaalsContact CD1-CD1 3.5Å |
| 1122 | N | 86.5 | Confident | 71.6 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.8 | -35.2 | 178.9 | -58.4 | -9.5 | 0 | 0 | 0 | 111.4 | H1043 F1067 N1119 F1126 M1545 | H1043-N1122 HydrophobicContact CB-CB 4.17Å; H1043-N1122 PolarHBondContact CD2-ND2 3.13Å; H1043-N1122 PolarHBondContact CE1-ND2 2.65Å; H1043-N1122 VanDerWaalsContact CG-ND2 3.34Å; H1043-N1122 PolarHBondContact ND1-ND2 3.26Å; H1043-N1122 PolarHBondContact NE2-ND2 2.82Å; F1067-N1122 HydrophobicContact CE2-CB 4.5Å; N1119-N1122 HydrophobicContact CB-CB 4.23Å; N1119-N1122 WeakPolarHBondContact CB-ND2 3.16Å; N1119-N1122 VanDerWaalsContact CG-CG 3.42Å; N1119-N1122 PolarHBondContact ND2-ND2 2.79Å; N1119-N1122 PolarHBondContact O-N 3.1Å; N1119-N1122 PolarHBondContact OD1-N 3.07Å; N1122-F1126 WeakPolarHBondContact O-CB 3.38Å; N1122-F1126 PolarHBondContact O-N 2.69Å; N1122-M1545 VanDerWaalsContact OD1-CE 3.32Å; N1122-M1545 WeakPolarHBondContact OD1-CE 3.29Å |
| 1123 | F | 90 | Very high | 74.3 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.9 | -36.7 | 173.5 | -176.1 | -96.8 | 0 | 0 | 0 | 112.1 | L992 F1067 W1070 F1118 N1119 R1120 L1121 F1126 Y1127 Y1155 F1158 L1200 | L992-F1123 HydrophobicContact CD2-CE2 4.32Å; F1067-F1123 HydrophobicContact CE1-CD2 4.32Å; F1067-F1123 HydrophobicContact CZ-CB 4.27Å; F1067-F1123 HydrophobicContact CZ-CD2 4.39Å; W1070-F1123 HydrophobicContact CE3-CE2 4.24Å; W1070-F1123 HydrophobicContact CH2-CE2 4.44Å; W1070-F1123 HydrophobicContact CZ3-CD2 4.37Å; W1070-F1123 AromaticContact CZ3-CE2 3.7Å; W1070-F1123 HydrophobicContact CZ3-CE2 3.7Å; W1070-F1123 HydrophobicContact CZ3-CZ 4.38Å; F1118-F1123 HydrophobicContact CE1-CB 4.12Å; F1118-F1123 HydrophobicContact CE1-CG 4.33Å; F1118-F1123 HydrophobicContact CE2-CB 4.28Å; F1118-F1123 HydrophobicContact CE2-CD2 4Å; F1118-F1123 HydrophobicContact CE2-CG 4.18Å; F1118-F1123 HydrophobicContact CZ-CB 3.58Å; F1118-F1123 AromaticContact CZ-CD1 3.94Å; F1118-F1123 HydrophobicContact CZ-CD1 3.94Å; F1118-F1123 AromaticContact CZ-CD2 3.74Å; F1118-F1123 HydrophobicContact CZ-CD2 3.74Å; F1118-F1123 HydrophobicContact CZ-CE2 4.37Å; F1118-F1123 AromaticContact CZ-CG 3.47Å; F1118-F1123 HydrophobicContact CZ-CG 3.47Å; F1118-F1123 VanDerWaalsContact CZ-CG 3.47Å; N1119-F1123 PolarHBondContact O-N 2.99Å; R1120-F1123 PolarHBondContact O-N 3.35Å; L1121-F1123 VanDerWaalsContact C-N 3.29Å; L1121-F1123 PolarHBondContact O-N 2.86Å; F1123-F1126 HydrophobicContact CD2-CD1 4.48Å; F1123-F1126 HydrophobicContact CE2-CD1 4.49Å; F1123-F1126 WeakPolarHBondContact O-CB 3.34Å; F1123-F1126 PolarHBondContact O-N 3.39Å; F1123-Y1127 WeakPolarHBondContact O-CB 3.41Å; F1123-Y1127 PolarHBondContact O-N 3.38Å; F1123-Y1155 HydrophobicContact CE2-CD2 4.13Å; F1123-Y1155 AromaticContact CZ-CD2 3.67Å; F1123-Y1155 HydrophobicContact CZ-CD2 3.67Å; F1123-Y1155 HydrophobicContact CZ-CG 4.39Å; F1123-F1158 AromaticContact CE1-CD1 3.96Å; F1123-F1158 HydrophobicContact CE1-CD1 3.96Å; F1123-F1158 HydrophobicContact CE1-CE1 4.38Å; F1123-L1200 HydrophobicContact CD1-CD1 4.02Å; F1123-L1200 HydrophobicContact CD1-CD2 3.8Å; F1123-L1200 HydrophobicContact CE1-CD1 3.92Å; F1123-L1200 HydrophobicContact CE1-CD2 4.47Å |
| 1124 | I | 89.5 | Confident | 76.9 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.6 | -41.8 | 174.7 | -70.3 | 162.2 | 0 | 0 | 0 | 111 | R1120 L1121 Y1127 Y1128 F1158 L1200 E1203 V1204 | R1120-I1124 WeakPolarHBondContact O-CD1 3.45Å; R1120-I1124 VanDerWaalsContact O-CG1 3.28Å; R1120-I1124 WeakPolarHBondContact O-CG1 3.31Å; R1120-I1124 PolarHBondContact O-N 2.57Å; L1121-I1124 PolarHBondContact O-N 3.27Å; I1124-Y1127 WeakPolarHBondContact O-CB 3.3Å; I1124-Y1127 PolarHBondContact O-N 2.03Å; I1124-Y1128 HydrophobicContact CG2-CD2 3.63Å; I1124-Y1128 HydrophobicContact CG2-CE2 3.53Å; I1124-Y1128 WeakPolarHBondContact O-CD2 3.14Å; I1124-Y1128 PolarHBondContact O-N 2.92Å; I1124-F1158 HydrophobicContact CG1-CZ 4.38Å; I1124-L1200 HydrophobicContact CD1-CD2 4.34Å; I1124-L1200 HydrophobicContact CG1-CD2 4.15Å; I1124-E1203 HydrophobicContact CD1-CB 3.59Å; I1124-V1204 HydrophobicContact CB-CG2 4.49Å; I1124-V1204 HydrophobicContact CD1-CG2 3.56Å; I1124-V1204 HydrophobicContact CG1-CG2 3.72Å; I1124-V1204 HydrophobicContact CG2-CG2 3.9Å |
| 1125 | E | 87.3 | Confident | 79.2 | Confident | 44 Ų | 44 | 32.9 Ų | 32.9 | 21% | 0.206 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.8 | -50.2 | 172.7 | -177.6 | -172.7 | -178.7 | 0 | 0 | 110.9 | F1044 L1121 Y1127 Y1128 R1129 M1545 | F1044-E1125 HydrophobicContact CE1-CG 4.2Å; F1044-E1125 HydrophobicContact CZ-CG 4.35Å; L1121-E1125 PolarHBondContact O-N 2.81Å; E1125-Y1127 VanDerWaalsContact C-N 3.31Å; E1125-Y1127 PolarHBondContact O-N 3.35Å; E1125-Y1128 PolarHBondContact O-N 2.82Å; E1125-R1129 WeakPolarHBondContact O-CB 3.47Å; E1125-R1129 PolarHBondContact O-N 2.9Å; E1125-M1545 HydrophobicContact CB-CE 4.11Å |
| 1126 | F | 91.8 | Very high | 81.2 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.8 | -44.5 | 174.3 | 170.7 | -100.5 | 0 | 0 | 0 | 112.3 | V990 L992 F1044 F1067 N1122 F1123 R1129 V1130 Y1155 | V990-F1126 HydrophobicContact CG1-CE1 3.86Å; V990-F1126 HydrophobicContact CG1-CZ 3.77Å; L992-F1126 HydrophobicContact CD2-CE1 3.78Å; L992-F1126 HydrophobicContact CD2-CZ 4.17Å; F1044-F1126 HydrophobicContact CB-CD2 3.76Å; F1044-F1126 HydrophobicContact CB-CE2 4.22Å; F1044-F1126 HydrophobicContact CD1-CB 3.96Å; F1044-F1126 HydrophobicContact CD1-CD2 4.1Å; F1044-F1126 AromaticContact CD2-CD2 3.86Å; F1044-F1126 HydrophobicContact CD2-CD2 3.86Å; F1044-F1126 HydrophobicContact CE1-CB 4.11Å; F1044-F1126 HydrophobicContact CE2-CD2 4.46Å; F1044-F1126 HydrophobicContact CG-CB 4.38Å; F1044-F1126 AromaticContact CG-CD2 3.65Å; F1044-F1126 HydrophobicContact CG-CD2 3.65Å; F1044-F1126 HydrophobicContact CG-CE2 4.46Å; F1044-F1126 HydrophobicContact CG-CG 4.5Å; F1067-F1126 HydrophobicContact CB-CD1 4.28Å; F1067-F1126 HydrophobicContact CB-CD2 4.01Å; F1067-F1126 HydrophobicContact CB-CE1 4.07Å; F1067-F1126 HydrophobicContact CB-CE2 3.74Å; F1067-F1126 HydrophobicContact CB-CG 4.24Å; F1067-F1126 HydrophobicContact CB-CZ 3.78Å; F1067-F1126 HydrophobicContact CD2-CB 3.73Å; F1067-F1126 HydrophobicContact CD2-CD1 4.14Å; F1067-F1126 AromaticContact CD2-CD2 3.87Å; F1067-F1126 HydrophobicContact CD2-CD2 3.87Å; F1067-F1126 HydrophobicContact CD2-CE2 4.47Å; F1067-F1126 AromaticContact CD2-CG 3.65Å; F1067-F1126 HydrophobicContact CD2-CG 3.65Å; F1067-F1126 HydrophobicContact CE2-CB 4.07Å; F1067-F1126 HydrophobicContact CE2-CG 4.45Å; F1067-F1126 HydrophobicContact CG-CD1 4.42Å; F1067-F1126 HydrophobicContact CG-CD2 4.4Å; F1067-F1126 HydrophobicContact CG-CG 4.28Å; N1122-F1126 WeakPolarHBondContact O-CB 3.38Å; N1122-F1126 PolarHBondContact O-N 2.69Å; F1123-F1126 HydrophobicContact CD2-CD1 4.48Å; F1123-F1126 HydrophobicContact CE2-CD1 4.49Å; F1123-F1126 WeakPolarHBondContact O-CB 3.34Å; F1123-F1126 PolarHBondContact O-N 3.39Å; F1126-R1129 VanDerWaalsContact O-CB 3.23Å; F1126-R1129 WeakPolarHBondContact O-CB 3.43Å; F1126-R1129 PolarHBondContact O-N 3.45Å; F1126-V1130 HydrophobicContact CE1-CG2 4.41Å; F1126-V1130 HydrophobicContact CZ-CG2 4.29Å; F1126-V1130 WeakPolarHBondContact O-CG2 3.11Å; F1126-V1130 PolarHBondContact O-N 2.82Å; F1126-Y1155 HydrophobicContact CD1-CE2 4.22Å; F1126-Y1155 HydrophobicContact CE1-CD2 4.18Å; F1126-Y1155 AromaticContact CE1-CE2 3.79Å; F1126-Y1155 HydrophobicContact CE1-CE2 3.79Å |
| 1127 | Y | 92.9 | Very high | 83 | Confident | 10 Ų | 10 | 41 Ų | 41 | 4% | 0.039 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.8 | -51.1 | 178.7 | 168 | -96.1 | 0 | 0 | 0 | 112.2 | F1123 I1124 E1125 R1129 V1130 K1131 Y1155 F1158 D1159 L1162 | F1123-Y1127 WeakPolarHBondContact O-CB 3.41Å; F1123-Y1127 PolarHBondContact O-N 3.38Å; I1124-Y1127 WeakPolarHBondContact O-CB 3.3Å; I1124-Y1127 PolarHBondContact O-N 2.03Å; E1125-Y1127 VanDerWaalsContact C-N 3.31Å; E1125-Y1127 PolarHBondContact O-N 3.35Å; Y1127-R1129 PolarHBondContact O-N 3.47Å; Y1127-V1130 PolarHBondContact O-N 3.21Å; Y1127-V1130 VanDerWaalsContact O-N 3.12Å; Y1127-K1131 HydrophobicContact CD1-CG 4.37Å; Y1127-K1131 HydrophobicContact CD2-CG 4.19Å; Y1127-K1131 HydrophobicContact CE1-CG 3.85Å; Y1127-K1131 HydrophobicContact CE2-CD 4.15Å; Y1127-K1131 HydrophobicContact CE2-CG 3.64Å; Y1127-K1131 VanDerWaalsContact CZ-CG 3.45Å; Y1127-K1131 PolarHBondContact O-N 3.05Å; Y1127-Y1155 HydrophobicContact CD2-CE2 4.1Å; Y1127-F1158 AromaticContact CD1-CE1 3.89Å; Y1127-F1158 HydrophobicContact CD1-CE1 3.89Å; Y1127-F1158 AromaticContact CD2-CD1 4Å; Y1127-F1158 HydrophobicContact CD2-CD1 4Å; Y1127-F1158 AromaticContact CD2-CE1 3.86Å; Y1127-F1158 HydrophobicContact CD2-CE1 3.86Å; Y1127-F1158 HydrophobicContact CE1-CE1 4.26Å; Y1127-F1158 HydrophobicContact CE2-CD1 4.27Å; Y1127-F1158 HydrophobicContact CE2-CE1 4.23Å; Y1127-F1158 HydrophobicContact CG-CD1 4.26Å; Y1127-F1158 AromaticContact CG-CE1 3.68Å; Y1127-F1158 HydrophobicContact CG-CE1 3.68Å; Y1127-D1159 HydrophobicContact CE2-CB 3.71Å; Y1127-D1159 WeakPolarHBondContact CE2-OD1 3.37Å; Y1127-D1159 PolarHBondContact OH-OD1 3.14Å; Y1127-L1162 HydrophobicContact CD1-CD2 4.42Å; Y1127-L1162 HydrophobicContact CE1-CD2 3.45Å; Y1127-L1162 VanDerWaalsContact CE1-CD2 3.45Å |
| 1128 | Y | 88.5 | Confident | 84.4 | Confident | 30 Ų | 30 | 37.7 Ų | 37.7 | 12% | 0.118 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.6 | -29.6 | 178.4 | -79 | -59.3 | 0 | 0 | 0 | 111.8 | I1124 E1125 V1130 K1131 T1132 V1204 I1211 | I1124-Y1128 HydrophobicContact CG2-CD2 3.63Å; I1124-Y1128 HydrophobicContact CG2-CE2 3.53Å; I1124-Y1128 WeakPolarHBondContact O-CD2 3.14Å; I1124-Y1128 PolarHBondContact O-N 2.92Å; E1125-Y1128 PolarHBondContact O-N 2.82Å; Y1128-V1130 PolarHBondContact O-N 3.17Å; Y1128-K1131 PolarHBondContact O-N 2.68Å; Y1128-T1132 WeakPolarHBondContact O-CB 3.23Å; Y1128-T1132 VanDerWaalsContact O-CG2 3.25Å; Y1128-T1132 WeakPolarHBondContact O-CG2 3.48Å; Y1128-T1132 PolarHBondContact O-N 3.35Å; Y1128-T1132 PolarHBondContact O-OG1 3.48Å; Y1128-V1204 VanDerWaalsContact OH-CG1 3.28Å; Y1128-V1204 WeakPolarHBondContact OH-CG1 3.44Å; Y1128-I1211 HydrophobicContact CD1-CD1 3.73Å; Y1128-I1211 HydrophobicContact CD2-CD1 4.48Å; Y1128-I1211 HydrophobicContact CE1-CD1 3.85Å; Y1128-I1211 HydrophobicContact CG-CD1 4.07Å |
| 1129 | R | 87.3 | Confident | 85.3 | Confident | 28 Ų | 28 | 37 Ų | 37 | 11% | 0.106 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.4 | -43.6 | 173 | -156.7 | 88.6 | -160 | -178.7 | 1.3 | 112.9 | Y1041 F1044 Y1065 E1125 F1126 Y1127 T1132 D1534 Y1536 | Y1041-R1129 PolarHBondContact OH-NE 2.8Å; Y1041-R1129 PolarHBondContact OH-NH1 3.37Å; Y1041-R1129 PolarHBondContact OH-NH2 2.72Å; F1044-R1129 HydrophobicContact CE2-CB 4.34Å; F1044-R1129 HydrophobicContact CE2-CG 4.03Å; F1044-R1129 HydrophobicContact CZ-CB 4.43Å; F1044-R1129 HydrophobicContact CZ-CG 4.39Å; Y1065-R1129 HydrophobicContact CE1-CB 4.43Å; Y1065-R1129 HydrophobicContact CE1-CG 3.98Å; E1125-R1129 WeakPolarHBondContact O-CB 3.47Å; E1125-R1129 PolarHBondContact O-N 2.9Å; F1126-R1129 VanDerWaalsContact O-CB 3.23Å; F1126-R1129 WeakPolarHBondContact O-CB 3.43Å; F1126-R1129 PolarHBondContact O-N 3.45Å; Y1127-R1129 PolarHBondContact O-N 3.47Å; R1129-T1132 PolarHBondContact O-OG1 2.9Å; R1129-D1534 VanDerWaalsContact CZ-CG 3.44Å; R1129-D1534 IonicContact CZ-OD1 3.55Å; R1129-D1534 IonicContact CZ-OD2 3.61Å; R1129-D1534 IonicContact NH1-OD1 3.68Å; R1129-D1534 PolarHBondContact NH1-OD1 3.13Å; R1129-D1534 IonicContact NH1-OD2 3.94Å; R1129-D1534 PolarHBondContact NH1-OD2 3Å; R1129-D1534 IonicContact NH2-OD1 2.7Å; R1129-D1534 PolarHBondContact NH2-OD1 3.42Å; R1129-D1534 IonicContact NH2-OD2 3.61Å; R1129-Y1536 WeakPolarHBondContact CD-OH 3.36Å |
| 1130 | V | 91.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.7 | -45.7 | 177.2 | 178.7 | 0 | 0 | 0 | 0 | 109.7 | Q988 V990 Y1065 F1126 Y1127 Y1128 A1133 T1134 L1141 Y1155 | Q988-V1130 PolarHBondContact OE1-O 3.3Å; V990-V1130 HydrophobicContact CG2-CG1 3.89Å; V990-V1130 HydrophobicContact CG2-CG2 4.04Å; Y1065-V1130 HydrophobicContact CD1-CG2 3.74Å; Y1065-V1130 HydrophobicContact CD2-CG2 3.93Å; Y1065-V1130 HydrophobicContact CE1-CG2 4.1Å; Y1065-V1130 HydrophobicContact CE2-CG1 4.48Å; Y1065-V1130 HydrophobicContact CE2-CG2 4.27Å; Y1065-V1130 HydrophobicContact CG-CG2 3.66Å; F1126-V1130 HydrophobicContact CE1-CG2 4.41Å; F1126-V1130 HydrophobicContact CZ-CG2 4.29Å; F1126-V1130 WeakPolarHBondContact O-CG2 3.11Å; F1126-V1130 PolarHBondContact O-N 2.82Å; Y1127-V1130 PolarHBondContact O-N 3.21Å; Y1127-V1130 VanDerWaalsContact O-N 3.12Å; Y1128-V1130 PolarHBondContact O-N 3.17Å; V1130-A1133 PolarHBondContact O-N 3.16Å; V1130-T1134 PolarHBondContact O-N 3.29Å; V1130-T1134 PolarHBondContact O-OG1 2.89Å; V1130-L1141 HydrophobicContact CG1-CD1 4.02Å; V1130-L1141 HydrophobicContact CG1-CD2 4.12Å; V1130-Y1155 WeakPolarHBondContact CB-OH 3.25Å; V1130-Y1155 VanDerWaalsContact CG1-OH 3.31Å; V1130-Y1155 WeakPolarHBondContact CG1-OH 3.39Å |
| 1131 | K | 88.5 | Confident | 86.7 | Confident | 52 Ų | 52 | 33.6 Ų | 33.6 | 23% | 0.226 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.6 | -39.6 | -173.6 | -72.3 | -72.8 | 151.9 | -178.1 | 0 | 114.5 | Y1127 Y1128 A1133 T1134 D1159 | Y1127-K1131 HydrophobicContact CD1-CG 4.37Å; Y1127-K1131 HydrophobicContact CD2-CG 4.19Å; Y1127-K1131 HydrophobicContact CE1-CG 3.85Å; Y1127-K1131 HydrophobicContact CE2-CD 4.15Å; Y1127-K1131 HydrophobicContact CE2-CG 3.64Å; Y1127-K1131 VanDerWaalsContact CZ-CG 3.45Å; Y1127-K1131 PolarHBondContact O-N 3.05Å; Y1128-K1131 PolarHBondContact O-N 2.68Å; K1131-A1133 PolarHBondContact O-N 3.43Å; K1131-T1134 PolarHBondContact O-N 2.71Å; K1131-D1159 WeakPolarHBondContact CE-OD1 3.1Å; K1131-D1159 WeakPolarHBondContact CE-OD2 3.47Å; K1131-D1159 IonicContact NZ-OD1 3.48Å; K1131-D1159 PolarHBondContact NZ-OD1 2.82Å; K1131-D1159 VanDerWaalsContact NZ-OD1 3.12Å; K1131-D1159 IonicContact NZ-OD2 3.26Å; K1131-D1159 PolarHBondContact NZ-OD2 2.95Å |
| 1132 | T | 81.6 | Confident | 87.2 | Confident | 72 Ų | 72 | 33.4 Ų | 33.4 | 44% | 0.442 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -68.4 | -19.7 | 179.3 | 52.4 | 0 | 0 | 0 | 0 | 113 | Y1128 R1129 Y1536 | Y1128-T1132 WeakPolarHBondContact O-CB 3.23Å; Y1128-T1132 VanDerWaalsContact O-CG2 3.25Å; Y1128-T1132 WeakPolarHBondContact O-CG2 3.48Å; Y1128-T1132 PolarHBondContact O-N 3.35Å; Y1128-T1132 PolarHBondContact O-OG1 3.48Å; R1129-T1132 PolarHBondContact O-OG1 2.9Å; T1132-Y1536 PolarHBondContact OG1-OH 2.76Å |
| 1133 | A | 81 | Confident | 87.8 | Confident | 34 Ų | 34 | 33.2 Ų | 33.2 | 28% | 0.281 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -4.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I1063 Y1065 V1130 K1131 | I1063-A1133 HydrophobicContact CD1-CB 4.49Å; Y1065-A1133 WeakPolarHBondContact OH-CB 3.32Å; V1130-A1133 PolarHBondContact O-N 3.16Å; K1131-A1133 PolarHBondContact O-N 3.43Å |
| 1134 | T | 81 | Confident | 88 | Confident | 58 Ų | 58 | 33.2 Ų | 33.2 | 36% | 0.356 | 19% | 0.187 | S | C | . | . | trans | -81.5 | 125.7 | -175.4 | -55.8 | 0 | 0 | 0 | 0 | 112.4 | Q988 V1130 K1131 | Q988-T1134 PolarHBondContact NE2-OG1 2.91Å; Q988-T1134 VanDerWaalsContact NE2-OG1 3.07Å; Q988-T1134 PolarHBondContact OE1-OG1 2.82Å; V1130-T1134 PolarHBondContact O-N 3.29Å; V1130-T1134 PolarHBondContact O-OG1 2.89Å; K1131-T1134 PolarHBondContact O-N 2.71Å | ||
| 1135 | C | 78.5 | Confident | 88.1 | Confident | 52 Ų | 52 | 33.1 Ų | 33.1 | 35% | 0.351 | 19% | 0.187 | S | C | . | . | trans | -100.7 | 148.5 | 177 | -65 | 0 | 0 | 0 | 0 | 112 | E1137 D1138 | C1135-E1137 HydrophobicContact CB-CG 4.04Å; C1135-E1137 WeakPolarHBondContact CB-OE1 3.46Å; C1135-E1137 PolarHBondContact O-N 2.78Å; C1135-D1138 PolarHBondContact N-OD2 2.67Å; C1135-D1138 VanDerWaalsContact O-CB 3.31Å; C1135-D1138 WeakPolarHBondContact O-CB 3.26Å; C1135-D1138 PolarHBondContact O-N 3.04Å; C1135-D1138 VanDerWaalsContact O-N 3.09Å | ||
| 1136 | P | 72.2 | Confident | 88.2 | Confident | 111 Ų | 111 | 31.8 Ų | 31.8 | 72% | 0.721 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -34.6 | 176.8 | -25.1 | 34.8 | 0 | 0 | 0 | 114.1 | R958 D1138 | R958-P1136 PolarHBondContact NH1-O 3.37Å; P1136-D1138 VanDerWaalsContact C-N 3.29Å; P1136-D1138 PolarHBondContact O-N 2.94Å |
| 1137 | E | 79.1 | Confident | 87.9 | Confident | 141 Ų | 141 | 33.2 Ų | 33.2 | 66% | 0.659 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -13.7 | 176.9 | 55.6 | -89.2 | -165.3 | 0 | 0 | 114.7 | C1135 | C1135-E1137 HydrophobicContact CB-CG 4.04Å; C1135-E1137 WeakPolarHBondContact CB-OE1 3.46Å; C1135-E1137 PolarHBondContact O-N 2.78Å |
| 1138 | D | 84.4 | Confident | 87.6 | Confident | 26 Ų | 26 | 32.7 Ų | 32.7 | 14% | 0.139 | 19% | 0.189 | C | C | . | . | trans | -61.7 | 147.7 | 178.1 | -68.2 | -14.8 | 0 | 0 | 0 | 110.7 | R958 A987 Q988 C1135 P1136 | R958-D1138 PolarHBondContact NH1-O 3.1Å; R958-D1138 PolarHBondContact NH2-O 3.21Å; A987-D1138 HydrophobicContact CB-CB 4.11Å; A987-D1138 WeakPolarHBondContact CB-OD1 3.38Å; Q988-D1138 PolarHBondContact NE2-OD2 2.83Å; C1135-D1138 PolarHBondContact N-OD2 2.67Å; C1135-D1138 VanDerWaalsContact O-CB 3.31Å; C1135-D1138 WeakPolarHBondContact O-CB 3.26Å; C1135-D1138 PolarHBondContact O-N 3.04Å; C1135-D1138 VanDerWaalsContact O-N 3.09Å; P1136-D1138 VanDerWaalsContact C-N 3.29Å; P1136-D1138 PolarHBondContact O-N 2.94Å | ||
| 1139 | G | 90.7 | Very high | 87.4 | Confident | 13 Ų | 13 | 31.9 Ų | 31.9 | 13% | 0.134 | 19% | 0.187 | C | C | . | . | trans | -65.8 | -167.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N985 | N985-G1139 WeakPolarHBondContact O-CA 3.45Å; N985-G1139 PolarHBondContact O-N 2.91Å; N985-G1139 VanDerWaalsContact O-N 3.13Å | ||
| 1140 | P | 95.5 | Very high | 87.2 | Confident | 13 Ų | 13 | 31.4 Ų | 31.4 | 8% | 0.084 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 142.5 | 176.4 | 24.9 | -30.5 | 0 | 0 | 0 | 111.8 | F952 R960 A961 I963 C984 I986 L1142 | F952-P1140 HydrophobicContact CE1-CG 4.34Å; R960-P1140 WeakPolarHBondContact O-CB 3.43Å; A961-P1140 CarbonylContact O-C 3.46Å; A961-P1140 VanDerWaalsContact O-CA 3.3Å; A961-P1140 WeakPolarHBondContact O-CA 3.44Å; I963-P1140 HydrophobicContact CD1-CB 4.13Å; I963-P1140 HydrophobicContact CD1-CG 3.52Å; I963-P1140 HydrophobicContact CG1-CB 3.94Å; I963-P1140 HydrophobicContact CG1-CG 3.9Å; C984-P1140 HydrophobicContact CB-CG 4.27Å; C984-P1140 VanDerWaalsContact O-CD 3.29Å; C984-P1140 WeakPolarHBondContact O-CD 3.28Å; I986-P1140 HydrophobicContact CG1-CG 4.19Å; P1140-L1142 PolarHBondContact O-N 3.22Å |
| 1141 | L | 96 | Very high | 87.1 | Confident | 12 Ų | 12 | 32.2 Ų | 32.2 | 6% | 0.063 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 117.5 | 170.7 | -177 | 64.2 | 0 | 0 | 0 | 109.4 | A961 Y962 I963 Q988 V990 V1130 V1143 Y1155 | A961-L1141 PolarHBondContact O-N 2.72Å; Y962-L1141 VanDerWaalsContact CA-O 3.29Å; Y962-L1141 WeakPolarHBondContact CA-O 3.04Å; Y962-L1141 HydrophobicContact CD1-CB 4Å; Y962-L1141 HydrophobicContact CD1-CD2 4.11Å; Y962-L1141 HydrophobicContact CD1-CG 4.46Å; Y962-L1141 HydrophobicContact CE1-CB 4.43Å; Y962-L1141 HydrophobicContact CE1-CD2 4.01Å; I963-L1141 PolarHBondContact N-O 2.68Å; Q988-L1141 HydrophobicContact CB-CD1 3.5Å; V990-L1141 HydrophobicContact CG2-CD1 3.87Å; V990-L1141 HydrophobicContact CG2-CD2 4.29Å; V990-L1141 HydrophobicContact CG2-CG 4.22Å; V1130-L1141 HydrophobicContact CG1-CD1 4.02Å; V1130-L1141 HydrophobicContact CG1-CD2 4.12Å; L1141-V1143 HydrophobicContact CD2-CG2 4.17Å; L1141-V1143 HydrophobicContact CG-CG2 4.02Å; L1141-Y1155 HydrophobicContact CD2-CE1 3.95Å |
| 1142 | L | 97.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 119.9 | 175.9 | 178.8 | 57.1 | 0 | 0 | 0 | 109.6 | I963 A965 F977 M980 I981 I986 Q988 I989 V990 P1140 | I963-L1142 HydrophobicContact CB-CD1 3.93Å; I963-L1142 HydrophobicContact CG2-CD1 3.62Å; A965-L1142 HydrophobicContact CB-CD1 3.77Å; F977-L1142 HydrophobicContact CE1-CD2 3.99Å; F977-L1142 HydrophobicContact CE2-CD2 4.13Å; F977-L1142 HydrophobicContact CZ-CD2 3.57Å; F977-L1142 HydrophobicContact CZ-CG 4.41Å; M980-L1142 HydrophobicContact CE-CD1 3.65Å; M980-L1142 HydrophobicContact CE-CD2 3.88Å; M980-L1142 HydrophobicContact CE-CG 4.45Å; I981-L1142 HydrophobicContact CD1-CD2 4.02Å; I981-L1142 HydrophobicContact CG1-CD2 3.72Å; I986-L1142 HydrophobicContact CD1-CB 3.96Å; I986-L1142 HydrophobicContact CD1-CD2 4.1Å; I986-L1142 HydrophobicContact CD1-CG 4.44Å; I986-L1142 HydrophobicContact CG2-CB 3.72Å; Q988-L1142 PolarHBondContact O-N 2.96Å; Q988-L1142 VanDerWaalsContact O-N 3.15Å; I989-L1142 CarbonylContact C-O 3.47Å; I989-L1142 WeakPolarHBondContact CA-O 3.3Å; I989-L1142 HydrophobicContact CG1-CD2 4.23Å; I989-L1142 HydrophobicContact CG2-CD2 4.08Å; I989-L1142 HydrophobicContact CG2-CG 4.27Å; V990-L1142 PolarHBondContact N-O 2.66Å; P1140-L1142 PolarHBondContact O-N 3.22Å |
| 1143 | V | 97.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 122.6 | 177.4 | -169.9 | 0 | 0 | 0 | 0 | 109 | Y962 I963 A964 A965 V990 L992 L1141 T1152 Y1155 I1156 | Y962-V1143 HydrophobicContact CD1-CG2 4.35Å; I963-V1143 PolarHBondContact O-N 2.94Å; A964-V1143 WeakPolarHBondContact CA-O 3.49Å; A965-V1143 PolarHBondContact N-O 3.25Å; V990-V1143 HydrophobicContact CB-CB 4.39Å; V990-V1143 HydrophobicContact CB-CG1 4.16Å; V990-V1143 HydrophobicContact CB-CG2 4.18Å; V990-V1143 HydrophobicContact CG1-CG1 3.99Å; V990-V1143 CarbonylContact O-C 3.47Å; V990-V1143 WeakPolarHBondContact O-CA 3.32Å; L992-V1143 HydrophobicContact CD1-CG1 3.78Å; L1141-V1143 HydrophobicContact CD2-CG2 4.17Å; L1141-V1143 HydrophobicContact CG-CG2 4.02Å; V1143-T1152 HydrophobicContact CB-CG2 3.99Å; V1143-T1152 HydrophobicContact CG1-CG2 3.85Å; V1143-T1152 VanDerWaalsContact O-CG2 3.29Å; V1143-T1152 WeakPolarHBondContact O-CG2 3.5Å; V1143-Y1155 HydrophobicContact CG1-CD1 3.91Å; V1143-Y1155 HydrophobicContact CG1-CG 4.25Å; V1143-Y1155 HydrophobicContact CG2-CD1 3.97Å; V1143-Y1155 HydrophobicContact CG2-CE1 4.09Å; V1143-I1156 HydrophobicContact CB-CD1 4.26Å; V1143-I1156 HydrophobicContact CB-CG1 4.36Å; V1143-I1156 HydrophobicContact CG2-CD1 4.37Å; V1143-I1156 HydrophobicContact CG2-CG1 4.15Å |
| 1144 | H | 95.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 154.7 | -179.7 | 80.9 | 96.5 | 0 | 0 | 0 | 113.1 | A965 S967 F977 V990 M991 L992 Y1006 | A965-H1144 HydrophobicContact CB-CB 4.32Å; A965-H1144 WeakPolarHBondContact O-CA 3.23Å; A965-H1144 WeakPolarHBondContact O-CB 3.38Å; S967-H1144 PolarHBondContact OG-CE1 2.94Å; S967-H1144 PolarHBondContact OG-ND1 3.45Å; F977-H1144 AromaticContact CZ-CD2 3.84Å; V990-H1144 PolarHBondContact O-N 2.76Å; M991-H1144 WeakPolarHBondContact CB-NE2 3.38Å; M991-H1144 VanDerWaalsContact CG-CE1 3.47Å; M991-H1144 WeakPolarHBondContact CG-CE1 3.12Å; L992-H1144 PolarHBondContact N-O 3.44Å; Y1006-H1144 AromaticContact CE1-CE1 3.72Å; Y1006-H1144 AromaticContact CE1-NE2 3.82Å; Y1006-H1144 AromaticContact CZ-NE2 3.69Å; Y1006-H1144 PolarHBondContact OH-NE2 2.93Å |
| 1145 | C | 91 | Very high | 88.8 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | -163.3 | 168.3 | 67.9 | 0 | 0 | 0 | 0 | 106.5 | S967 L992 T1147 G1148 L1149 R1151 T1152 | S967-C1145 WeakPolarHBondContact CB-O 3.39Å; S967-C1145 PolarHBondContact N-O 3.11Å; S967-C1145 PolarHBondContact OG-O 3.02Å; L992-C1145 HydrophobicContact CB-CB 4.32Å; C1145-T1147 PolarHBondContact O-N 3.16Å; C1145-G1148 PolarHBondContact SG-N 2.79Å; C1145-L1149 PolarHBondContact SG-O 3.21Å; C1145-R1151 HydrophobicContact CB-CB 4.11Å; C1145-T1152 PolarHBondContact N-OG1 3.14Å; C1145-T1152 PolarHBondContact SG-OG1 3.33Å; C1145-T1152 VanDerWaalsContact SG-OG1 3.39Å |
| 1146 | S | 88.8 | Confident | 89.6 | Confident | 15 Ų | 15 | 19.4 Ų | 19.4 | 11% | 0.105 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -52.4 | -48.6 | 178.8 | 58.4 | 0 | 0 | 0 | 0 | 114.3 | H922 S967 | H922-S1146 PolarHBondContact ND1-O 2.82Å; S967-S1146 PolarHBondContact N-O 3.34Å |
| 1147 | T | 85.6 | Confident | 90.6 | Very high | 30 Ų | 30 | 14.1 Ų | 14.1 | 18% | 0.184 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -111 | -4.9 | -175.4 | 59.7 | 0 | 0 | 0 | 0 | 114.4 | C1145 L1149 R1184 | C1145-T1147 PolarHBondContact O-N 3.16Å; T1147-L1149 PolarHBondContact O-N 2.89Å; T1147-L1149 PolarHBondContact OG1-N 2.82Å; T1147-R1184 PolarHBondContact O-NH2 2.88Å |
| 1148 | G | 86.5 | Confident | 91.3 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 5% | 0.046 | C | C | . | . | S | Bend | trans | 67.9 | 18.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114 | A965 C1145 R1184 | A965-G1148 WeakPolarHBondContact O-CA 3.45Å; A965-G1148 PolarHBondContact O-N 3.05Å; C1145-G1148 PolarHBondContact SG-N 2.79Å; G1148-R1184 PolarHBondContact O-NE 3.1Å |
| 1149 | L | 85.5 | Confident | 91.8 | Very high | 13 Ų | 13 | 6.2 Ų | 6.2 | 7% | 0.068 | 4% | 0.039 | C | C | . | . | S | Bend | trans | -124.2 | 171.3 | 175.4 | -58.8 | 176.9 | 0 | 0 | 0 | 109.7 | S926 C1145 T1147 R1151 R1184 S1185 | S926-L1149 WeakPolarHBondContact OG-CD1 3.22Å; C1145-L1149 PolarHBondContact SG-O 3.21Å; T1147-L1149 PolarHBondContact O-N 2.89Å; T1147-L1149 PolarHBondContact OG1-N 2.82Å; L1149-R1151 PolarHBondContact O-N 2.78Å; L1149-R1184 HydrophobicContact CD2-CG 3.71Å; L1149-R1184 VanDerWaalsContact CD2-NE 3.35Å; L1149-S1185 WeakPolarHBondContact CD2-O 3.3Å |
| 1150 | S | 82.5 | Confident | 91.8 | Very high | 17 Ų | 17 | 5.6 Ų | 5.6 | 12% | 0.119 | 3% | 0.033 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | -89.2 | 174.9 | 88.2 | 0 | 0 | 0 | 0 | 113.4 | G1153 L1154 I1187 H1189 Q1193 | S1150-G1153 CarbonylContact O-C 3.5Å; S1150-G1153 WeakPolarHBondContact O-CA 3.26Å; S1150-G1153 PolarHBondContact O-N 3.15Å; S1150-G1153 VanDerWaalsContact O-N 3.11Å; S1150-L1154 PolarHBondContact O-N 2.85Å; S1150-I1187 WeakPolarHBondContact CA-O 3.23Å; S1150-I1187 PolarHBondContact N-O 3.14Å; S1150-H1189 VanDerWaalsContact CB-CE1 3.48Å; S1150-H1189 WeakPolarHBondContact CB-CE1 3.44Å; S1150-H1189 VanDerWaalsContact CB-ND1 3.32Å; S1150-H1189 WeakPolarHBondContact CB-ND1 3.32Å; S1150-Q1193 VanDerWaalsContact CB-NE2 3.35Å |
| 1151 | R | 89 | Confident | 91.7 | Very high | 17 Ų | 17 | 5 Ų | 5 | 6% | 0.064 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -63.1 | -46 | 179.9 | -58.2 | 179.5 | -142.4 | 176.6 | 2.8 | 112.1 | L992 T993 E997 W1070 C1145 L1149 G1153 L1154 Y1155 | L992-R1151 HydrophobicContact CB-CB 4.03Å; L992-R1151 HydrophobicContact CD1-CB 4.18Å; L992-R1151 WeakPolarHBondContact CD1-O 3.5Å; L992-R1151 WeakPolarHBondContact O-CD 3.23Å; L992-R1151 PolarHBondContact O-NH1 2.8Å; T993-R1151 PolarHBondContact OG1-NH1 2.97Å; E997-R1151 VanDerWaalsContact CD-NH1 3.34Å; E997-R1151 IonicContact OE1-CZ 3.2Å; E997-R1151 IonicContact OE1-NH1 3.68Å; E997-R1151 PolarHBondContact OE1-NH1 3.43Å; E997-R1151 IonicContact OE1-NH2 3.45Å; E997-R1151 IonicContact OE2-CZ 2.96Å; E997-R1151 VanDerWaalsContact OE2-CZ 3.31Å; E997-R1151 IonicContact OE2-NH1 2.74Å; E997-R1151 PolarHBondContact OE2-NH1 2.76Å; E997-R1151 VanDerWaalsContact OE2-NH1 3.11Å; E997-R1151 IonicContact OE2-NH2 3.11Å; E997-R1151 PolarHBondContact OE2-NH2 2.9Å; W1070-R1151 HydrophobicContact CD2-CG 4.02Å; W1070-R1151 HydrophobicContact CE3-CB 4.12Å; W1070-R1151 HydrophobicContact CE3-CG 4.11Å; W1070-R1151 HydrophobicContact CH2-CB 3.61Å; W1070-R1151 HydrophobicContact CH2-CG 3.79Å; W1070-R1151 HydrophobicContact CZ2-CB 4.08Å; W1070-R1151 HydrophobicContact CZ2-CG 3.71Å; W1070-R1151 HydrophobicContact CZ3-CB 3.65Å; W1070-R1151 HydrophobicContact CZ3-CG 4Å; C1145-R1151 HydrophobicContact CB-CB 4.11Å; L1149-R1151 PolarHBondContact O-N 2.78Å; R1151-G1153 PolarHBondContact O-N 3.06Å; R1151-L1154 PolarHBondContact O-N 3.1Å; R1151-Y1155 PolarHBondContact O-N 3.45Å |
| 1152 | T | 91.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -56.3 | -44 | 171.5 | -62.9 | 0 | 0 | 0 | 0 | 110.7 | A964 V1143 C1145 Y1155 I1156 | A964-T1152 HydrophobicContact CB-CG2 3.65Å; V1143-T1152 HydrophobicContact CB-CG2 3.99Å; V1143-T1152 HydrophobicContact CG1-CG2 3.85Å; V1143-T1152 VanDerWaalsContact O-CG2 3.29Å; V1143-T1152 WeakPolarHBondContact O-CG2 3.5Å; C1145-T1152 PolarHBondContact N-OG1 3.14Å; C1145-T1152 PolarHBondContact SG-OG1 3.33Å; C1145-T1152 VanDerWaalsContact SG-OG1 3.39Å; T1152-Y1155 PolarHBondContact O-N 3.3Å; T1152-I1156 HydrophobicContact CG2-CD1 3.9Å; T1152-I1156 VanDerWaalsContact O-CG1 3.29Å; T1152-I1156 WeakPolarHBondContact O-CG1 3.3Å; T1152-I1156 PolarHBondContact O-N 2.74Å; T1152-I1156 VanDerWaalsContact O-N 3.09Å |
| 1153 | G | 90.6 | Very high | 91 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -62.1 | -45.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1150 R1151 I1156 A1157 I1187 | S1150-G1153 CarbonylContact O-C 3.5Å; S1150-G1153 WeakPolarHBondContact O-CA 3.26Å; S1150-G1153 PolarHBondContact O-N 3.15Å; S1150-G1153 VanDerWaalsContact O-N 3.11Å; R1151-G1153 PolarHBondContact O-N 3.06Å; G1153-I1156 PolarHBondContact O-N 2.92Å; G1153-A1157 WeakPolarHBondContact O-CB 3.24Å; G1153-A1157 PolarHBondContact O-N 2.88Å; G1153-I1187 VanDerWaalsContact CA-CG1 3.47Å |
| 1154 | L | 91.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -61.3 | -48 | 178.3 | -169.3 | 87.4 | 0 | 0 | 0 | 111.1 | W1070 F1118 S1150 R1151 A1157 F1158 Q1193 L1196 L1197 L1200 | W1070-L1154 HydrophobicContact CH2-CB 4.05Å; W1070-L1154 HydrophobicContact CH2-CD2 3.36Å; W1070-L1154 HydrophobicContact CH2-CG 4.3Å; W1070-L1154 HydrophobicContact CZ2-CD2 3.64Å; W1070-L1154 HydrophobicContact CZ3-CD2 4.46Å; F1118-L1154 HydrophobicContact CZ-CD2 4.48Å; S1150-L1154 PolarHBondContact O-N 2.85Å; R1151-L1154 PolarHBondContact O-N 3.1Å; L1154-A1157 PolarHBondContact O-N 3.32Å; L1154-F1158 WeakPolarHBondContact O-CB 3.5Å; L1154-F1158 PolarHBondContact O-N 2.88Å; L1154-Q1193 HydrophobicContact CD1-CB 4.02Å; L1154-Q1193 WeakPolarHBondContact CD1-O 3.46Å; L1154-L1196 HydrophobicContact CD1-CB 4.49Å; L1154-L1196 HydrophobicContact CD1-CD2 4.5Å; L1154-L1196 HydrophobicContact CD2-CD2 3.62Å; L1154-L1196 HydrophobicContact CD2-CG 4.2Å; L1154-L1197 HydrophobicContact CD1-CD1 4.44Å; L1154-L1197 HydrophobicContact CD1-CD2 3.65Å; L1154-L1197 HydrophobicContact CD1-CG 3.59Å; L1154-L1197 HydrophobicContact CG-CD2 4.03Å; L1154-L1200 HydrophobicContact CD2-CD1 4.07Å |
| 1155 | Y | 94.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -59.4 | -49.5 | 179.2 | -179.6 | -83.4 | 0 | 0 | 0 | 111.3 | V990 L992 F1123 F1126 Y1127 V1130 L1141 V1143 R1151 T1152 F1158 D1159 | V990-Y1155 HydrophobicContact CG1-CD2 4.2Å; V990-Y1155 HydrophobicContact CG1-CE1 4.36Å; V990-Y1155 HydrophobicContact CG1-CE2 4.04Å; V990-Y1155 HydrophobicContact CG1-CG 4.46Å; L992-Y1155 HydrophobicContact CD1-CG 4.25Å; L992-Y1155 HydrophobicContact CD2-CD2 4.31Å; F1123-Y1155 HydrophobicContact CE2-CD2 4.13Å; F1123-Y1155 AromaticContact CZ-CD2 3.67Å; F1123-Y1155 HydrophobicContact CZ-CD2 3.67Å; F1123-Y1155 HydrophobicContact CZ-CG 4.39Å; F1126-Y1155 HydrophobicContact CD1-CE2 4.22Å; F1126-Y1155 HydrophobicContact CE1-CD2 4.18Å; F1126-Y1155 AromaticContact CE1-CE2 3.79Å; F1126-Y1155 HydrophobicContact CE1-CE2 3.79Å; Y1127-Y1155 HydrophobicContact CD2-CE2 4.1Å; V1130-Y1155 WeakPolarHBondContact CB-OH 3.25Å; V1130-Y1155 VanDerWaalsContact CG1-OH 3.31Å; V1130-Y1155 WeakPolarHBondContact CG1-OH 3.39Å; L1141-Y1155 HydrophobicContact CD2-CE1 3.95Å; V1143-Y1155 HydrophobicContact CG1-CD1 3.91Å; V1143-Y1155 HydrophobicContact CG1-CG 4.25Å; V1143-Y1155 HydrophobicContact CG2-CD1 3.97Å; V1143-Y1155 HydrophobicContact CG2-CE1 4.09Å; R1151-Y1155 PolarHBondContact O-N 3.45Å; T1152-Y1155 PolarHBondContact O-N 3.3Å; Y1155-F1158 PolarHBondContact O-N 2.78Å; Y1155-D1159 WeakPolarHBondContact O-CB 3.48Å; Y1155-D1159 PolarHBondContact O-N 3.23Å |
| 1156 | I | 94.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -65.7 | -42.9 | 180 | -65.5 | 173.7 | 0 | 0 | 0 | 110.9 | I953 Y962 A964 V1143 T1152 G1153 D1159 L1160 L1180 | I953-I1156 HydrophobicContact CD1-CD1 3.9Å; I953-I1156 HydrophobicContact CG2-CG2 4.28Å; Y962-I1156 HydrophobicContact CD1-CG1 4.14Å; Y962-I1156 HydrophobicContact CD2-CG2 4.47Å; Y962-I1156 HydrophobicContact CG-CD1 4.48Å; Y962-I1156 HydrophobicContact CG-CG1 4.41Å; Y962-I1156 HydrophobicContact CG-CG2 4.44Å; A964-I1156 HydrophobicContact CB-CD1 4.17Å; V1143-I1156 HydrophobicContact CB-CD1 4.26Å; V1143-I1156 HydrophobicContact CB-CG1 4.36Å; V1143-I1156 HydrophobicContact CG2-CD1 4.37Å; V1143-I1156 HydrophobicContact CG2-CG1 4.15Å; T1152-I1156 HydrophobicContact CG2-CD1 3.9Å; T1152-I1156 VanDerWaalsContact O-CG1 3.29Å; T1152-I1156 WeakPolarHBondContact O-CG1 3.3Å; T1152-I1156 PolarHBondContact O-N 2.74Å; T1152-I1156 VanDerWaalsContact O-N 3.09Å; G1153-I1156 PolarHBondContact O-N 2.92Å; I1156-D1159 PolarHBondContact O-N 3.15Å; I1156-L1160 HydrophobicContact CG2-CD1 3.57Å; I1156-L1160 HydrophobicContact CG2-CG 4.38Å; I1156-L1160 WeakPolarHBondContact O-CB 3.27Å; I1156-L1160 WeakPolarHBondContact O-CG 3.45Å; I1156-L1160 PolarHBondContact O-N 3.38Å; I1156-L1180 HydrophobicContact CG2-CD2 4.06Å |
| 1157 | A | 93.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.3 | -45.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1153 L1154 L1160 L1161 L1180 I1188 L1197 | G1153-A1157 WeakPolarHBondContact O-CB 3.24Å; G1153-A1157 PolarHBondContact O-N 2.88Å; L1154-A1157 PolarHBondContact O-N 3.32Å; A1157-L1160 PolarHBondContact O-N 2.91Å; A1157-L1161 VanDerWaalsContact O-CB 3.27Å; A1157-L1161 WeakPolarHBondContact O-CB 3.4Å; A1157-L1161 WeakPolarHBondContact O-CD1 3.42Å; A1157-L1161 WeakPolarHBondContact O-CG 3.32Å; A1157-L1161 PolarHBondContact O-N 3.37Å; A1157-L1180 HydrophobicContact CB-CD1 3.63Å; A1157-I1188 HydrophobicContact CB-CD1 4.28Å; A1157-L1197 HydrophobicContact CB-CD1 3.92Å; A1157-L1197 HydrophobicContact CB-CD2 3.95Å |
| 1158 | F | 94.2 | Very high | 89 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.5 | -49.1 | 177.6 | 172 | -115.4 | 0 | 0 | 0 | 111.7 | F1123 I1124 Y1127 L1154 Y1155 L1160 L1161 L1162 L1197 L1200 L1201 V1204 | F1123-F1158 AromaticContact CE1-CD1 3.96Å; F1123-F1158 HydrophobicContact CE1-CD1 3.96Å; F1123-F1158 HydrophobicContact CE1-CE1 4.38Å; I1124-F1158 HydrophobicContact CG1-CZ 4.38Å; Y1127-F1158 AromaticContact CD1-CE1 3.89Å; Y1127-F1158 HydrophobicContact CD1-CE1 3.89Å; Y1127-F1158 AromaticContact CD2-CD1 4Å; Y1127-F1158 HydrophobicContact CD2-CD1 4Å; Y1127-F1158 AromaticContact CD2-CE1 3.86Å; Y1127-F1158 HydrophobicContact CD2-CE1 3.86Å; Y1127-F1158 HydrophobicContact CE1-CE1 4.26Å; Y1127-F1158 HydrophobicContact CE2-CD1 4.27Å; Y1127-F1158 HydrophobicContact CE2-CE1 4.23Å; Y1127-F1158 HydrophobicContact CG-CD1 4.26Å; Y1127-F1158 AromaticContact CG-CE1 3.68Å; Y1127-F1158 HydrophobicContact CG-CE1 3.68Å; L1154-F1158 WeakPolarHBondContact O-CB 3.5Å; L1154-F1158 PolarHBondContact O-N 2.88Å; Y1155-F1158 PolarHBondContact O-N 2.78Å; F1158-L1160 VanDerWaalsContact C-N 3.35Å; F1158-L1160 PolarHBondContact O-N 3.02Å; F1158-L1161 PolarHBondContact O-N 2.64Å; F1158-L1162 HydrophobicContact CZ-CD2 4.37Å; F1158-L1162 WeakPolarHBondContact O-CB 3.48Å; F1158-L1162 PolarHBondContact O-N 3.36Å; F1158-L1197 HydrophobicContact CB-CD2 3.92Å; F1158-L1200 HydrophobicContact CD2-CB 3.66Å; F1158-L1200 HydrophobicContact CD2-CD1 4.27Å; F1158-L1200 HydrophobicContact CE2-CB 3.65Å; F1158-L1200 HydrophobicContact CG-CB 4.46Å; F1158-L1200 HydrophobicContact CG-CD1 4.28Å; F1158-L1200 HydrophobicContact CZ-CB 4.42Å; F1158-L1201 HydrophobicContact CD2-CD2 4.43Å; F1158-L1201 HydrophobicContact CE2-CD2 4.49Å; F1158-V1204 HydrophobicContact CE2-CG2 4.24Å; F1158-V1204 HydrophobicContact CZ-CG2 3.76Å |
| 1159 | D | 93.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.1 | -45.5 | 179.4 | -177.1 | 27.8 | 0 | 0 | 0 | 112.5 | Y962 Y1127 K1131 Y1155 I1156 L1162 Q1163 | Y962-D1159 WeakPolarHBondContact CE1-OD2 3.01Å; Y962-D1159 PolarHBondContact OH-OD2 2.87Å; Y1127-D1159 HydrophobicContact CE2-CB 3.71Å; Y1127-D1159 WeakPolarHBondContact CE2-OD1 3.37Å; Y1127-D1159 PolarHBondContact OH-OD1 3.14Å; K1131-D1159 WeakPolarHBondContact CE-OD1 3.1Å; K1131-D1159 WeakPolarHBondContact CE-OD2 3.47Å; K1131-D1159 IonicContact NZ-OD1 3.48Å; K1131-D1159 PolarHBondContact NZ-OD1 2.82Å; K1131-D1159 VanDerWaalsContact NZ-OD1 3.12Å; K1131-D1159 IonicContact NZ-OD2 3.26Å; K1131-D1159 PolarHBondContact NZ-OD2 2.95Å; Y1155-D1159 WeakPolarHBondContact O-CB 3.48Å; Y1155-D1159 PolarHBondContact O-N 3.23Å; I1156-D1159 PolarHBondContact O-N 3.15Å; D1159-L1162 PolarHBondContact O-N 3.06Å; D1159-Q1163 VanDerWaalsContact CG-NE2 3.34Å; D1159-Q1163 WeakPolarHBondContact O-CG 3.26Å; D1159-Q1163 PolarHBondContact O-N 2.93Å; D1159-Q1163 PolarHBondContact OD1-NE2 2.94Å; D1159-Q1163 PolarHBondContact OD2-NE2 2.67Å |
| 1160 | L | 92.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -73.1 | -35.2 | -178.4 | -65.4 | 171 | 0 | 0 | 0 | 112.8 | Y956 Y962 I1156 A1157 F1158 L1162 Q1163 Q1164 F1176 L1180 | Y956-L1160 VanDerWaalsContact N-CD2 3.25Å; Y962-L1160 HydrophobicContact CE2-CD1 4.3Å; Y962-L1160 HydrophobicContact CE2-CD2 3.82Å; Y962-L1160 HydrophobicContact CE2-CG 4.29Å; I1156-L1160 HydrophobicContact CG2-CD1 3.57Å; I1156-L1160 HydrophobicContact CG2-CG 4.38Å; I1156-L1160 WeakPolarHBondContact O-CB 3.27Å; I1156-L1160 WeakPolarHBondContact O-CG 3.45Å; I1156-L1160 PolarHBondContact O-N 3.38Å; A1157-L1160 PolarHBondContact O-N 2.91Å; F1158-L1160 VanDerWaalsContact C-N 3.35Å; F1158-L1160 PolarHBondContact O-N 3.02Å; L1160-L1162 VanDerWaalsContact C-N 3.32Å; L1160-Q1163 PolarHBondContact O-N 3.24Å; L1160-Q1164 WeakPolarHBondContact O-CB 3.47Å; L1160-Q1164 PolarHBondContact O-N 2.79Å; L1160-F1176 HydrophobicContact CB-CD1 4.49Å; L1160-F1176 HydrophobicContact CB-CE1 3.39Å; L1160-F1176 HydrophobicContact CB-CE2 4.04Å; L1160-F1176 HydrophobicContact CB-CZ 3.14Å; L1160-F1176 HydrophobicContact CD1-CE1 3.81Å; L1160-F1176 HydrophobicContact CD1-CZ 3.46Å; L1160-F1176 VanDerWaalsContact CD1-CZ 3.46Å; L1160-F1176 HydrophobicContact CG-CE1 4.19Å; L1160-F1176 HydrophobicContact CG-CZ 3.84Å; L1160-L1180 HydrophobicContact CD1-CD2 4.14Å |
| 1161 | L | 92.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.3 | -35 | 172.3 | -72.5 | 164.6 | 0 | 0 | 0 | 111.5 | A1157 F1158 Q1164 V1165 V1171 V1173 F1176 L1197 L1201 | A1157-L1161 VanDerWaalsContact O-CB 3.27Å; A1157-L1161 WeakPolarHBondContact O-CB 3.4Å; A1157-L1161 WeakPolarHBondContact O-CD1 3.42Å; A1157-L1161 WeakPolarHBondContact O-CG 3.32Å; A1157-L1161 PolarHBondContact O-N 3.37Å; F1158-L1161 PolarHBondContact O-N 2.64Å; L1161-Q1164 WeakPolarHBondContact O-CB 3Å; L1161-Q1164 PolarHBondContact O-N 2.99Å; L1161-V1165 PolarHBondContact O-N 3.09Å; L1161-V1171 HydrophobicContact CD2-CB 4.36Å; L1161-V1171 HydrophobicContact CD2-CG1 4.49Å; L1161-V1171 WeakPolarHBondContact O-CG1 3.27Å; L1161-V1173 HydrophobicContact CD1-CB 4.41Å; L1161-V1173 HydrophobicContact CD1-CG1 3.98Å; L1161-V1173 HydrophobicContact CD1-CG2 4.21Å; L1161-V1173 HydrophobicContact CD2-CG2 4.38Å; L1161-F1176 HydrophobicContact CD1-CD1 4.49Å; L1161-F1176 HydrophobicContact CD2-CB 3.75Å; L1161-F1176 HydrophobicContact CD2-CD1 4.14Å; L1161-F1176 HydrophobicContact CD2-CG 3.89Å; L1161-F1176 HydrophobicContact CG-CB 4.44Å; L1161-F1176 HydrophobicContact CG-CD1 3.95Å; L1161-F1176 HydrophobicContact CG-CG 4.21Å; L1161-L1197 HydrophobicContact CD1-CD1 4.37Å; L1161-L1201 HydrophobicContact CB-CD1 4.18Å; L1161-L1201 HydrophobicContact CB-CD2 3.92Å; L1161-L1201 HydrophobicContact CD1-CD1 4.16Å |
| 1162 | L | 89.9 | Confident | 87.9 | Confident | 13 Ų | 13 | 32.6 Ų | 32.6 | 7% | 0.068 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.3 | -38 | 174.8 | -173.1 | 62.1 | 0 | 0 | 0 | 111.7 | Y1127 F1158 D1159 L1160 Q1164 V1165 T1166 V1204 | Y1127-L1162 HydrophobicContact CD1-CD2 4.42Å; Y1127-L1162 HydrophobicContact CE1-CD2 3.45Å; Y1127-L1162 VanDerWaalsContact CE1-CD2 3.45Å; F1158-L1162 HydrophobicContact CZ-CD2 4.37Å; F1158-L1162 WeakPolarHBondContact O-CB 3.48Å; F1158-L1162 PolarHBondContact O-N 3.36Å; D1159-L1162 PolarHBondContact O-N 3.06Å; L1160-L1162 VanDerWaalsContact C-N 3.32Å; L1162-Q1164 VanDerWaalsContact C-N 3.34Å; L1162-V1165 HydrophobicContact CD1-CG1 3.87Å; L1162-V1165 WeakPolarHBondContact O-CG1 3.35Å; L1162-T1166 WeakPolarHBondContact O-CB 3.37Å; L1162-T1166 PolarHBondContact O-N 2.76Å; L1162-T1166 VanDerWaalsContact O-N 3.08Å; L1162-T1166 PolarHBondContact O-OG1 3.44Å; L1162-V1204 HydrophobicContact CD1-CB 4.27Å; L1162-V1204 HydrophobicContact CD1-CG1 3.51Å; L1162-V1204 HydrophobicContact CD2-CG1 4.03Å; L1162-V1204 HydrophobicContact CG-CG1 4.46Å |
| 1163 | Q | 88.6 | Confident | 87.8 | Confident | 46 Ų | 46 | 32.6 Ų | 32.6 | 22% | 0.215 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.4 | -44.2 | 170.1 | -70.6 | 168.9 | 41.3 | 0 | 0 | 110.7 | Y956 Y962 D1159 L1160 T1166 H1167 | Y956-Q1163 VanDerWaalsContact CB-OE1 3.23Å; Y956-Q1163 HydrophobicContact CD1-CB 4.03Å; Y956-Q1163 HydrophobicContact CG-CB 4.05Å; Y962-Q1163 PolarHBondContact OH-NE2 3.22Å; D1159-Q1163 VanDerWaalsContact CG-NE2 3.34Å; D1159-Q1163 WeakPolarHBondContact O-CG 3.26Å; D1159-Q1163 PolarHBondContact O-N 2.93Å; D1159-Q1163 PolarHBondContact OD1-NE2 2.94Å; D1159-Q1163 PolarHBondContact OD2-NE2 2.67Å; L1160-Q1163 PolarHBondContact O-N 3.24Å; Q1163-T1166 PolarHBondContact O-N 2.94Å; Q1163-H1167 PolarHBondContact O-CD2 3.38Å; Q1163-H1167 VanDerWaalsContact O-CD2 3.25Å; Q1163-H1167 PolarHBondContact O-N 3.19Å; Q1163-H1167 VanDerWaalsContact O-N 3.08Å |
| 1164 | Q | 87.6 | Confident | 87.5 | Confident | 24 Ų | 24 | 32.9 Ų | 32.9 | 11% | 0.112 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.5 | -49.7 | 176.7 | -170.2 | -175.5 | 15 | 0 | 0 | 111.9 | Y956 L1160 L1161 L1162 T1166 H1167 E1168 V1171 | Y956-Q1164 HydrophobicContact CD2-CB 4.36Å; Y956-Q1164 HydrophobicContact CE2-CB 3.96Å; Y956-Q1164 HydrophobicContact CE2-CG 4.03Å; L1160-Q1164 WeakPolarHBondContact O-CB 3.47Å; L1160-Q1164 PolarHBondContact O-N 2.79Å; L1161-Q1164 WeakPolarHBondContact O-CB 3Å; L1161-Q1164 PolarHBondContact O-N 2.99Å; L1162-Q1164 VanDerWaalsContact C-N 3.34Å; Q1164-T1166 PolarHBondContact O-N 2.92Å; Q1164-H1167 PolarHBondContact O-N 2.94Å; Q1164-E1168 HydrophobicContact CG-CB 4.37Å; Q1164-E1168 HydrophobicContact CG-CG 4.34Å; Q1164-E1168 WeakPolarHBondContact CG-OE2 3.35Å; Q1164-E1168 PolarHBondContact NE2-OE2 2.75Å; Q1164-E1168 WeakPolarHBondContact O-CB 3.36Å; Q1164-E1168 PolarHBondContact O-N 3.01Å; Q1164-V1171 HydrophobicContact CB-CG1 4.42Å |
| 1165 | V | 84.4 | Confident | 87.2 | Confident | 19 Ų | 19 | 40 Ų | 40 | 12% | 0.115 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.3 | -33.2 | -179.6 | 80.4 | 0 | 0 | 0 | 0 | 112.1 | L1161 L1162 R1169 V1171 I1205 | L1161-V1165 PolarHBondContact O-N 3.09Å; L1162-V1165 HydrophobicContact CD1-CG1 3.87Å; L1162-V1165 WeakPolarHBondContact O-CG1 3.35Å; V1165-R1169 WeakPolarHBondContact O-CA 3.46Å; V1165-R1169 PolarHBondContact O-N 3.16Å; V1165-V1171 HydrophobicContact CB-CG1 3.52Å; V1165-V1171 HydrophobicContact CG2-CG1 4.01Å; V1165-I1205 HydrophobicContact CB-CD1 4.32Å; V1165-I1205 HydrophobicContact CG1-CD1 4.11Å; V1165-I1205 HydrophobicContact CG1-CG1 4.07Å; V1165-I1205 HydrophobicContact CG2-CD1 3.79Å; V1165-I1205 HydrophobicContact CG2-CG1 4.27Å |
| 1166 | T | 82.2 | Confident | 86.8 | Confident | 79 Ų | 79 | 41.8 Ų | 41.8 | 49% | 0.485 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68.1 | -38.9 | 179.9 | -57.2 | 0 | 0 | 0 | 0 | 111.2 | L1162 Q1163 Q1164 | L1162-T1166 WeakPolarHBondContact O-CB 3.37Å; L1162-T1166 PolarHBondContact O-N 2.76Å; L1162-T1166 VanDerWaalsContact O-N 3.08Å; L1162-T1166 PolarHBondContact O-OG1 3.44Å; Q1163-T1166 PolarHBondContact O-N 2.94Å; Q1164-T1166 PolarHBondContact O-N 2.92Å |
| 1167 | H | 82 | Confident | 86.5 | Confident | 118 Ų | 118 | 41.8 Ų | 41.8 | 55% | 0.546 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -88.6 | -43 | -179.1 | -75.9 | -74.3 | 0 | 0 | 0 | 114.2 | Y956 Q1163 Q1164 | Y956-H1167 AromaticContact CD1-CD2 3.94Å; Y956-H1167 HydrophobicContact CE1-CB 3.8Å; Y956-H1167 AromaticContact CE1-CD2 3.6Å; Y956-H1167 AromaticContact CE1-CG 3.86Å; Q1163-H1167 PolarHBondContact O-CD2 3.38Å; Q1163-H1167 VanDerWaalsContact O-CD2 3.25Å; Q1163-H1167 PolarHBondContact O-N 3.19Å; Q1163-H1167 VanDerWaalsContact O-N 3.08Å; Q1164-H1167 PolarHBondContact O-N 2.94Å |
| 1168 | E | 81.1 | Confident | 86.1 | Confident | 99 Ų | 99 | 43.2 Ų | 43.2 | 46% | 0.463 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -99.5 | -13.1 | -173.2 | -68 | 173.1 | -153.2 | 0 | 0 | 113.6 | Y956 Q1164 V1170 | Y956-E1168 VanDerWaalsContact OH-CD 3.27Å; Y956-E1168 VanDerWaalsContact OH-CG 3.3Å; Y956-E1168 WeakPolarHBondContact OH-CG 3.1Å; Y956-E1168 PolarHBondContact OH-OE1 2.76Å; Q1164-E1168 HydrophobicContact CG-CB 4.37Å; Q1164-E1168 HydrophobicContact CG-CG 4.34Å; Q1164-E1168 WeakPolarHBondContact CG-OE2 3.35Å; Q1164-E1168 PolarHBondContact NE2-OE2 2.75Å; Q1164-E1168 WeakPolarHBondContact O-CB 3.36Å; Q1164-E1168 PolarHBondContact O-N 3.01Å; E1168-V1170 PolarHBondContact O-N 3.43Å |
| 1169 | R | 75.7 | Confident | 85.6 | Confident | 202 Ų | 202 | 45.8 Ų | 45.8 | 76% | 0.762 | 22% | 0.224 | S | C | * | . | S | Bend | trans | 59.2 | 9.6 | -172.9 | -53.6 | -61 | -175.4 | 179.2 | -1.7 | 114.9 | V1165 | V1165-R1169 WeakPolarHBondContact O-CA 3.46Å; V1165-R1169 PolarHBondContact O-N 3.16Å |
| 1170 | V | 77.7 | Confident | 85.4 | Confident | 50 Ų | 50 | 46.2 Ų | 46.2 | 30% | 0.303 | 23% | 0.226 | S | C | . | . | trans | -141.2 | 148.1 | 177.9 | -178.8 | 0 | 0 | 0 | 0 | 108.6 | P866 Y868 E1168 | P866-V1170 HydrophobicContact CB-CG1 3.7Å; P866-V1170 HydrophobicContact CG-CG1 3.75Å; Y868-V1170 HydrophobicContact CE1-CG1 4.17Å; Y868-V1170 HydrophobicContact CE1-CG2 4.26Å; E1168-V1170 PolarHBondContact O-N 3.43Å | ||
| 1171 | V | 82.5 | Confident | 85.3 | Confident | 9 Ų | 9 | 46.2 Ų | 46.2 | 6% | 0.055 | 23% | 0.227 | C | C | . | . | trans | -129.1 | 142.8 | 177.3 | -73.5 | 0 | 0 | 0 | 0 | 111.5 | P866 L1161 Q1164 V1165 L1201 | P866-V1171 WeakPolarHBondContact CB-O 3.19Å; L1161-V1171 HydrophobicContact CD2-CB 4.36Å; L1161-V1171 HydrophobicContact CD2-CG1 4.49Å; L1161-V1171 WeakPolarHBondContact O-CG1 3.27Å; Q1164-V1171 HydrophobicContact CB-CG1 4.42Å; V1165-V1171 HydrophobicContact CB-CG1 3.52Å; V1165-V1171 HydrophobicContact CG2-CG1 4.01Å; V1171-L1201 HydrophobicContact CG2-CD1 4.41Å | ||
| 1172 | N | 84.7 | Confident | 85 | Confident | 24 Ų | 24 | 51.5 Ų | 51.5 | 13% | 0.128 | 25% | 0.25 | C | C | . | . | trans | -124.8 | 89.1 | 171 | -171.7 | -35.9 | 0 | 0 | 0 | 110 | G864 P866 A1174 K1175 F1176 | G864-N1172 PolarHBondContact O-ND2 3.2Å; P866-N1172 HydrophobicContact CB-CB 4.41Å; N1172-A1174 PolarHBondContact O-N 3.45Å; N1172-K1175 HydrophobicContact CB-CB 4.14Å; N1172-K1175 VanDerWaalsContact CG-CB 3.45Å; N1172-K1175 PolarHBondContact O-N 2.99Å; N1172-K1175 WeakPolarHBondContact OD1-CB 3.26Å; N1172-K1175 PolarHBondContact OD1-N 3.34Å; N1172-F1176 VanDerWaalsContact O-CB 3.29Å; N1172-F1176 WeakPolarHBondContact O-CB 3.46Å; N1172-F1176 PolarHBondContact O-N 3.38Å | ||
| 1173 | V | 89.2 | Confident | 85 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.7 | -46.9 | -173.2 | -174.1 | 0 | 0 | 0 | 0 | 111.7 | L1161 F1176 C1177 F1194 L1197 Y1198 L1201 | L1161-V1173 HydrophobicContact CD1-CB 4.41Å; L1161-V1173 HydrophobicContact CD1-CG1 3.98Å; L1161-V1173 HydrophobicContact CD1-CG2 4.21Å; L1161-V1173 HydrophobicContact CD2-CG2 4.38Å; V1173-F1176 PolarHBondContact O-N 2.8Å; V1173-C1177 WeakPolarHBondContact O-CB 3.4Å; V1173-C1177 PolarHBondContact O-N 3.02Å; V1173-C1177 PolarHBondContact O-SG 2.93Å; V1173-F1194 HydrophobicContact CB-CE2 4.38Å; V1173-F1194 HydrophobicContact CG1-CD2 4.22Å; V1173-F1194 HydrophobicContact CG1-CE2 3.7Å; V1173-F1194 HydrophobicContact CG1-CZ 4.28Å; V1173-L1197 HydrophobicContact CG1-CB 4.25Å; V1173-L1197 HydrophobicContact CG1-CD1 4.04Å; V1173-Y1198 HydrophobicContact CB-CE1 4.21Å; V1173-Y1198 HydrophobicContact CB-CE2 4.08Å; V1173-Y1198 HydrophobicContact CG1-CE2 4.13Å; V1173-Y1198 HydrophobicContact CG2-CD1 4.13Å; V1173-Y1198 HydrophobicContact CG2-CE1 3.57Å; V1173-Y1198 HydrophobicContact CG2-CE2 4.21Å; V1173-L1201 HydrophobicContact CG2-CD1 3.86Å |
| 1174 | A | 85.8 | Confident | 85 | Confident | 5 Ų | 5 | 49.5 Ų | 49.5 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.8 | -47.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | E897 N1172 F1176 C1177 S1178 F1194 | E897-A1174 HydrophobicContact CB-CB 4.38Å; N1172-A1174 PolarHBondContact O-N 3.45Å; A1174-F1176 VanDerWaalsContact C-N 3.28Å; A1174-F1176 PolarHBondContact O-N 3.15Å; A1174-C1177 PolarHBondContact O-N 3.4Å; A1174-S1178 WeakPolarHBondContact O-CB 3.38Å; A1174-S1178 PolarHBondContact O-N 2.88Å; A1174-F1194 HydrophobicContact CB-CE2 4.43Å; A1174-F1194 HydrophobicContact CB-CZ 4.27Å |
| 1175 | K | 83.9 | Confident | 84.9 | Confident | 150 Ų | 150 | 48.4 Ų | 48.4 | 65% | 0.652 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -62.1 | -38.6 | 177.3 | -175.6 | 178.9 | 179.3 | -178 | 0 | 111.5 | N1172 S1179 | N1172-K1175 HydrophobicContact CB-CB 4.14Å; N1172-K1175 VanDerWaalsContact CG-CB 3.45Å; N1172-K1175 PolarHBondContact O-N 2.99Å; N1172-K1175 WeakPolarHBondContact OD1-CB 3.26Å; N1172-K1175 PolarHBondContact OD1-N 3.34Å; K1175-S1179 PolarHBondContact O-N 3.19Å; K1175-S1179 VanDerWaalsContact O-N 3.11Å; K1175-S1179 PolarHBondContact O-OG 3.09Å |
| 1176 | F | 86.4 | Confident | 84.7 | Confident | 38 Ų | 38 | 49.7 Ų | 49.7 | 17% | 0.167 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.1 | -50.8 | 179.2 | -164.8 | -94.7 | 0 | 0 | 0 | 111.8 | L1160 L1161 N1172 V1173 A1174 S1178 S1179 L1180 | L1160-F1176 HydrophobicContact CB-CD1 4.49Å; L1160-F1176 HydrophobicContact CB-CE1 3.39Å; L1160-F1176 HydrophobicContact CB-CE2 4.04Å; L1160-F1176 HydrophobicContact CB-CZ 3.14Å; L1160-F1176 HydrophobicContact CD1-CE1 3.81Å; L1160-F1176 HydrophobicContact CD1-CZ 3.46Å; L1160-F1176 VanDerWaalsContact CD1-CZ 3.46Å; L1160-F1176 HydrophobicContact CG-CE1 4.19Å; L1160-F1176 HydrophobicContact CG-CZ 3.84Å; L1161-F1176 HydrophobicContact CD1-CD1 4.49Å; L1161-F1176 HydrophobicContact CD2-CB 3.75Å; L1161-F1176 HydrophobicContact CD2-CD1 4.14Å; L1161-F1176 HydrophobicContact CD2-CG 3.89Å; L1161-F1176 HydrophobicContact CG-CB 4.44Å; L1161-F1176 HydrophobicContact CG-CD1 3.95Å; L1161-F1176 HydrophobicContact CG-CG 4.21Å; N1172-F1176 VanDerWaalsContact O-CB 3.29Å; N1172-F1176 WeakPolarHBondContact O-CB 3.46Å; N1172-F1176 PolarHBondContact O-N 3.38Å; V1173-F1176 PolarHBondContact O-N 2.8Å; A1174-F1176 VanDerWaalsContact C-N 3.28Å; A1174-F1176 PolarHBondContact O-N 3.15Å; F1176-S1178 VanDerWaalsContact C-N 3.27Å; F1176-S1178 PolarHBondContact O-N 3.08Å; F1176-S1179 WeakPolarHBondContact O-CA 3.41Å; F1176-S1179 WeakPolarHBondContact O-CB 3.47Å; F1176-S1179 PolarHBondContact O-N 3.28Å; F1176-L1180 HydrophobicContact CD1-CD1 3.96Å; F1176-L1180 HydrophobicContact CD1-CG 4.27Å; F1176-L1180 HydrophobicContact CE1-CD1 3.6Å; F1176-L1180 HydrophobicContact CE1-CD2 4.31Å; F1176-L1180 HydrophobicContact CE1-CG 3.79Å; F1176-L1180 HydrophobicContact CZ-CG 4.4Å; F1176-L1180 PolarHBondContact O-N 3.29Å |
| 1177 | C | 88.7 | Confident | 84.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.2 | -40.2 | 174.1 | -69.3 | 0 | 0 | 0 | 0 | 111.9 | I901 V1173 A1174 S1179 L1180 C1181 I1188 | I901-C1177 HydrophobicContact CD1-CB 3.66Å; I901-C1177 HydrophobicContact CG1-CB 4.23Å; V1173-C1177 WeakPolarHBondContact O-CB 3.4Å; V1173-C1177 PolarHBondContact O-N 3.02Å; V1173-C1177 PolarHBondContact O-SG 2.93Å; A1174-C1177 PolarHBondContact O-N 3.4Å; C1177-S1179 PolarHBondContact O-N 2.93Å; C1177-L1180 PolarHBondContact O-N 3.47Å; C1177-C1181 PolarHBondContact O-N 2.73Å; C1177-C1181 VanDerWaalsContact O-N 3.08Å; C1177-C1181 PolarHBondContact O-SG 3.35Å; C1177-I1188 HydrophobicContact CB-CG1 4.37Å |
| 1178 | S | 85 | Confident | 85 | Confident | 30 Ų | 30 | 40.3 Ų | 40.3 | 21% | 0.21 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.3 | -30 | 173.7 | 177.8 | 0 | 0 | 0 | 0 | 113.2 | P902 A1174 F1176 | P902-S1178 WeakPolarHBondContact CD-OG 3.32Å; A1174-S1178 WeakPolarHBondContact O-CB 3.38Å; A1174-S1178 PolarHBondContact O-N 2.88Å; F1176-S1178 VanDerWaalsContact C-N 3.27Å; F1176-S1178 PolarHBondContact O-N 3.08Å |
| 1179 | S | 85 | Confident | 84.6 | Confident | 54 Ų | 54 | 39.6 Ų | 39.6 | 38% | 0.378 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -77.1 | -40.3 | 177.4 | -60.5 | 0 | 0 | 0 | 0 | 110.9 | K1175 F1176 C1177 C1181 K1182 | K1175-S1179 PolarHBondContact O-N 3.19Å; K1175-S1179 VanDerWaalsContact O-N 3.11Å; K1175-S1179 PolarHBondContact O-OG 3.09Å; F1176-S1179 WeakPolarHBondContact O-CA 3.41Å; F1176-S1179 WeakPolarHBondContact O-CB 3.47Å; F1176-S1179 PolarHBondContact O-N 3.28Å; C1177-S1179 PolarHBondContact O-N 2.93Å; S1179-C1181 VanDerWaalsContact C-N 3.29Å; S1179-C1181 PolarHBondContact O-N 2.96Å; S1179-K1182 VanDerWaalsContact O-CB 3.26Å; S1179-K1182 WeakPolarHBondContact O-CB 3.33Å; S1179-K1182 PolarHBondContact O-N 2.89Å |
| 1180 | L | 89.2 | Confident | 84.6 | Confident | 8 Ų | 8 | 31.3 Ų | 31.3 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.9 | -35.8 | 172.8 | -76.1 | 175.1 | 0 | 0 | 0 | 112.8 | I953 I1156 A1157 L1160 F1176 C1177 K1182 A1183 R1184 I1187 | I953-L1180 HydrophobicContact CG2-CD2 3.72Å; I1156-L1180 HydrophobicContact CG2-CD2 4.06Å; A1157-L1180 HydrophobicContact CB-CD1 3.63Å; L1160-L1180 HydrophobicContact CD1-CD2 4.14Å; F1176-L1180 HydrophobicContact CD1-CD1 3.96Å; F1176-L1180 HydrophobicContact CD1-CG 4.27Å; F1176-L1180 HydrophobicContact CE1-CD1 3.6Å; F1176-L1180 HydrophobicContact CE1-CD2 4.31Å; F1176-L1180 HydrophobicContact CE1-CG 3.79Å; F1176-L1180 HydrophobicContact CZ-CG 4.4Å; F1176-L1180 PolarHBondContact O-N 3.29Å; C1177-L1180 PolarHBondContact O-N 3.47Å; L1180-K1182 PolarHBondContact O-N 3.4Å; L1180-A1183 PolarHBondContact O-N 3.04Å; L1180-R1184 PolarHBondContact O-N 2.82Å; L1180-R1184 VanDerWaalsContact O-N 3.16Å; L1180-I1187 HydrophobicContact CB-CD1 4.47Å; L1180-I1187 HydrophobicContact CB-CG2 3.77Å |
| 1181 | C | 88.8 | Confident | 84.8 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.3 | -16.8 | 174.4 | -73.6 | 0 | 0 | 0 | 0 | 114 | Y929 C1177 S1179 R1184 | Y929-C1181 PolarHBondContact OH-O 3.07Å; C1177-C1181 PolarHBondContact O-N 2.73Å; C1177-C1181 VanDerWaalsContact O-N 3.08Å; C1177-C1181 PolarHBondContact O-SG 3.35Å; S1179-C1181 VanDerWaalsContact C-N 3.29Å; S1179-C1181 PolarHBondContact O-N 2.96Å; C1181-R1184 WeakPolarHBondContact CA-O 3.39Å |
| 1182 | K | 87.1 | Confident | 84.5 | Confident | 111 Ų | 111 | 35.6 Ų | 35.6 | 48% | 0.483 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -76.8 | -30.9 | 173.1 | -59.3 | 175.4 | -178.1 | 170.8 | 0 | 112.2 | F907 Y929 S1179 L1180 | F907-K1182 HydrophobicContact CE2-CB 4.05Å; F907-K1182 HydrophobicContact CE2-CG 4.44Å; Y929-K1182 WeakPolarHBondContact CD2-O 3.47Å; Y929-K1182 WeakPolarHBondContact CE2-O 3.34Å; S1179-K1182 VanDerWaalsContact O-CB 3.26Å; S1179-K1182 WeakPolarHBondContact O-CB 3.33Å; S1179-K1182 PolarHBondContact O-N 2.89Å; L1180-K1182 PolarHBondContact O-N 3.4Å |
| 1183 | A | 89.4 | Confident | 84.4 | Confident | 17 Ų | 17 | 35.5 Ų | 35.5 | 14% | 0.14 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -80.6 | -35.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y929 N932 I953 L1180 | Y929-A1183 WeakPolarHBondContact CD2-O 3.36Å; N932-A1183 WeakPolarHBondContact ND2-CA 3.44Å; N932-A1183 PolarHBondContact ND2-O 3.42Å; N932-A1183 PolarHBondContact OD1-O 2.81Å; I953-A1183 HydrophobicContact CG1-CB 3.97Å; I953-A1183 HydrophobicContact CG2-CB 4.35Å; L1180-A1183 PolarHBondContact O-N 3.04Å |
| 1184 | R | 89 | Confident | 84.2 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -151.3 | 128.2 | 175.6 | -155.9 | 171.2 | 169.4 | 87.9 | -0.4 | 110.8 | N949 S951 T1147 G1148 L1149 L1180 C1181 I1187 | N949-R1184 PolarHBondContact OD1-NH1 2.94Å; N949-R1184 PolarHBondContact OD1-NH2 2.84Å; S951-R1184 PolarHBondContact OG-NH1 3.12Å; T1147-R1184 PolarHBondContact O-NH2 2.88Å; G1148-R1184 PolarHBondContact O-NE 3.1Å; L1149-R1184 HydrophobicContact CD2-CG 3.71Å; L1149-R1184 VanDerWaalsContact CD2-NE 3.35Å; L1180-R1184 PolarHBondContact O-N 2.82Å; L1180-R1184 VanDerWaalsContact O-N 3.16Å; C1181-R1184 WeakPolarHBondContact CA-O 3.39Å; R1184-I1187 HydrophobicContact CB-CD1 4.35Å |
| 1185 | S | 84.3 | Confident | 84.2 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 140.2 | -179.8 | 54.4 | 0 | 0 | 0 | 0 | 111.3 | G904 Q909 Y929 L1149 I1187 | G904-S1185 WeakPolarHBondContact O-CB 3.17Å; Q909-S1185 PolarHBondContact NE2-OG 3.02Å; Y929-S1185 WeakPolarHBondContact OH-CA 3.38Å; Y929-S1185 VanDerWaalsContact OH-CB 3.29Å; Y929-S1185 WeakPolarHBondContact OH-CB 3.49Å; L1149-S1185 WeakPolarHBondContact CD2-O 3.3Å; S1185-I1187 PolarHBondContact O-N 3.43Å |
| 1186 | N | 82.2 | Confident | 84.3 | Confident | 46 Ų | 46 | 29.4 Ų | 29.4 | 25% | 0.246 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 30.7 | 174 | -56.4 | -31.7 | 0 | 0 | 0 | 114.6 | G904 I1188 | G904-N1186 PolarHBondContact N-OD1 2.8Å; N1186-I1188 VanDerWaalsContact C-N 3.29Å; N1186-I1188 PolarHBondContact O-N 2.67Å |
| 1187 | I | 85.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -60.6 | -37.6 | -178.3 | -164.5 | 170 | 0 | 0 | 0 | 112.6 | I953 S1150 G1153 L1180 R1184 S1185 | I953-I1187 HydrophobicContact CD1-CD1 3.71Å; S1150-I1187 WeakPolarHBondContact CA-O 3.23Å; S1150-I1187 PolarHBondContact N-O 3.14Å; G1153-I1187 VanDerWaalsContact CA-CG1 3.47Å; L1180-I1187 HydrophobicContact CB-CD1 4.47Å; L1180-I1187 HydrophobicContact CB-CG2 3.77Å; R1184-I1187 HydrophobicContact CB-CD1 4.35Å; S1185-I1187 PolarHBondContact O-N 3.43Å |
| 1188 | I | 83 | Confident | 84.4 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -109.8 | 93.5 | 166.2 | -55.3 | -61.4 | 0 | 0 | 0 | 108 | A1157 C1177 N1186 F1194 L1197 | A1157-I1188 HydrophobicContact CB-CD1 4.28Å; C1177-I1188 HydrophobicContact CB-CG1 4.37Å; N1186-I1188 VanDerWaalsContact C-N 3.29Å; N1186-I1188 PolarHBondContact O-N 2.67Å; I1188-F1194 HydrophobicContact CG2-CB 4.19Å; I1188-L1197 HydrophobicContact CD1-CD1 4.48Å |
| 1189 | H | 72.9 | Confident | 84.4 | Confident | 83 Ų | 83 | 26.9 Ų | 26.9 | 38% | 0.384 | 13% | 0.134 | S | C | . | . | trans | -93.2 | -14.8 | -170.4 | 81 | -58.5 | 0 | 0 | 0 | 115.2 | Y898 S1150 Q1193 | Y898-H1189 PolarHBondContact OH-O 3.25Å; S1150-H1189 VanDerWaalsContact CB-CE1 3.48Å; S1150-H1189 WeakPolarHBondContact CB-CE1 3.44Å; S1150-H1189 VanDerWaalsContact CB-ND1 3.32Å; S1150-H1189 WeakPolarHBondContact CB-ND1 3.32Å; H1189-Q1193 PolarHBondContact CE1-OE1 3.44Å; H1189-Q1193 PolarHBondContact ND1-OE1 3.24Å | ||
| 1190 | S | 76.7 | Confident | 84.7 | Confident | 29 Ų | 29 | 24.3 Ų | 24.3 | 20% | 0.203 | 12% | 0.116 | C | C | . | . | trans | -127.2 | 141 | -174.7 | 76 | 0 | 0 | 0 | 0 | 112.1 | Y898 R1192 Q1193 F1194 | Y898-S1190 PolarHBondContact OH-N 2.77Å; S1190-R1192 PolarHBondContact O-N 2.96Å; S1190-Q1193 PolarHBondContact O-N 2.82Å; S1190-Q1193 VanDerWaalsContact O-N 3.17Å; S1190-Q1193 WeakPolarHBondContact OG-CB 3.41Å; S1190-Q1193 VanDerWaalsContact OG-CG 3.3Å; S1190-Q1193 WeakPolarHBondContact OG-CG 3.33Å; S1190-Q1193 PolarHBondContact OG-N 3.27Å; S1190-F1194 PolarHBondContact O-N 3.08Å; S1190-F1194 VanDerWaalsContact O-N 3.12Å | ||
| 1191 | M | 80.8 | Confident | 84.6 | Confident | 28 Ų | 28 | 24 Ų | 24 | 14% | 0.138 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.4 | -34 | 176.3 | -175.2 | 172.3 | 175.2 | 0 | 0 | 111.5 | L849 L891 F894 S895 Y898 Q1193 F1194 T1195 | L849-M1191 HydrophobicContact CB-CE 4.45Å; L849-M1191 HydrophobicContact CB-SD 4.5Å; L849-M1191 HydrophobicContact CD2-CB 4.47Å; L891-M1191 HydrophobicContact CD1-CE 4.28Å; F894-M1191 HydrophobicContact CB-CE 3.98Å; S895-M1191 VanDerWaalsContact CA-CE 3.47Å; Y898-M1191 HydrophobicContact CD1-CB 3.88Å; Y898-M1191 HydrophobicContact CD1-CG 4.23Å; Y898-M1191 HydrophobicContact CD2-CB 4.49Å; Y898-M1191 HydrophobicContact CE1-CB 4.06Å; Y898-M1191 HydrophobicContact CG-CB 4.11Å; Y898-M1191 HydrophobicContact CG-CG 4.19Å; M1191-Q1193 PolarHBondContact O-N 2.86Å; M1191-F1194 WeakPolarHBondContact O-CB 3.44Å; M1191-F1194 PolarHBondContact O-N 3.34Å; M1191-T1195 WeakPolarHBondContact O-CG2 3.48Å; M1191-T1195 PolarHBondContact O-N 3.49Å; M1191-T1195 PolarHBondContact O-OG1 2.84Å |
| 1192 | R | 76.9 | Confident | 84.5 | Confident | 121 Ų | 121 | 24.4 Ų | 24.4 | 46% | 0.457 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -64.2 | -38.5 | 176.3 | -175.5 | 173.6 | -179.5 | 147.8 | 0.7 | 113.1 | S1190 F1194 T1195 L1196 | S1190-R1192 PolarHBondContact O-N 2.96Å; R1192-F1194 VanDerWaalsContact C-N 3.33Å; R1192-T1195 PolarHBondContact O-OG1 3.2Å; R1192-L1196 VanDerWaalsContact O-CB 3.28Å; R1192-L1196 WeakPolarHBondContact O-CB 3.44Å; R1192-L1196 PolarHBondContact O-N 3.46Å |
| 1193 | Q | 82.2 | Confident | 84.4 | Confident | 22 Ų | 22 | 19.3 Ų | 19.3 | 10% | 0.103 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -68.4 | -38.1 | 173.6 | -77.5 | 174.7 | -11.2 | 0 | 0 | 111 | S1150 L1154 H1189 S1190 M1191 L1196 L1197 | S1150-Q1193 VanDerWaalsContact CB-NE2 3.35Å; L1154-Q1193 HydrophobicContact CD1-CB 4.02Å; L1154-Q1193 WeakPolarHBondContact CD1-O 3.46Å; H1189-Q1193 PolarHBondContact CE1-OE1 3.44Å; H1189-Q1193 PolarHBondContact ND1-OE1 3.24Å; S1190-Q1193 PolarHBondContact O-N 2.82Å; S1190-Q1193 VanDerWaalsContact O-N 3.17Å; S1190-Q1193 WeakPolarHBondContact OG-CB 3.41Å; S1190-Q1193 VanDerWaalsContact OG-CG 3.3Å; S1190-Q1193 WeakPolarHBondContact OG-CG 3.33Å; S1190-Q1193 PolarHBondContact OG-N 3.27Å; M1191-Q1193 PolarHBondContact O-N 2.86Å; Q1193-L1196 PolarHBondContact O-N 2.91Å; Q1193-L1197 PolarHBondContact O-N 3.24Å; Q1193-L1197 VanDerWaalsContact O-N 3.14Å |
| 1194 | F | 85.5 | Confident | 84 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.6 | -43 | 174.7 | -179.7 | -100.7 | 0 | 0 | 0 | 112.4 | E897 Y898 I901 V1173 A1174 I1188 S1190 M1191 R1192 L1197 Y1198 | E897-F1194 HydrophobicContact CB-CE1 4.12Å; E897-F1194 HydrophobicContact CB-CZ 4.04Å; Y898-F1194 HydrophobicContact CD2-CB 3.64Å; Y898-F1194 HydrophobicContact CD2-CD1 4.21Å; Y898-F1194 HydrophobicContact CD2-CD2 4.26Å; Y898-F1194 AromaticContact CD2-CG 3.79Å; Y898-F1194 HydrophobicContact CD2-CG 3.79Å; Y898-F1194 HydrophobicContact CE2-CB 4.18Å; I901-F1194 HydrophobicContact CD1-CD2 3.62Å; I901-F1194 HydrophobicContact CD1-CE2 3.65Å; V1173-F1194 HydrophobicContact CB-CE2 4.38Å; V1173-F1194 HydrophobicContact CG1-CD2 4.22Å; V1173-F1194 HydrophobicContact CG1-CE2 3.7Å; V1173-F1194 HydrophobicContact CG1-CZ 4.28Å; A1174-F1194 HydrophobicContact CB-CE2 4.43Å; A1174-F1194 HydrophobicContact CB-CZ 4.27Å; I1188-F1194 HydrophobicContact CG2-CB 4.19Å; S1190-F1194 PolarHBondContact O-N 3.08Å; S1190-F1194 VanDerWaalsContact O-N 3.12Å; M1191-F1194 WeakPolarHBondContact O-CB 3.44Å; M1191-F1194 PolarHBondContact O-N 3.34Å; R1192-F1194 VanDerWaalsContact C-N 3.33Å; F1194-L1197 WeakPolarHBondContact O-CB 3.47Å; F1194-L1197 PolarHBondContact O-N 3.3Å; F1194-Y1198 HydrophobicContact CD1-CE2 4.36Å; F1194-Y1198 HydrophobicContact CE1-CD2 4.46Å; F1194-Y1198 AromaticContact CE1-CE2 3.69Å; F1194-Y1198 HydrophobicContact CE1-CE2 3.69Å; F1194-Y1198 HydrophobicContact CE2-CE2 4.49Å; F1194-Y1198 AromaticContact CZ-CE2 3.77Å; F1194-Y1198 HydrophobicContact CZ-CE2 3.77Å |
| 1195 | T | 86.1 | Confident | 83.5 | Confident | 4 Ų | 4 | 21.3 Ų | 21.3 | 3% | 0.025 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -70.7 | -36 | 175.4 | 57.5 | 0 | 0 | 0 | 0 | 112.7 | L849 M1191 R1192 L1197 Y1198 D1199 | L849-T1195 VanDerWaalsContact O-CG2 3.23Å; L849-T1195 WeakPolarHBondContact O-CG2 3.44Å; M1191-T1195 WeakPolarHBondContact O-CG2 3.48Å; M1191-T1195 PolarHBondContact O-N 3.49Å; M1191-T1195 PolarHBondContact O-OG1 2.84Å; R1192-T1195 PolarHBondContact O-OG1 3.2Å; T1195-L1197 PolarHBondContact O-N 3.44Å; T1195-Y1198 WeakPolarHBondContact O-CB 3.11Å; T1195-Y1198 PolarHBondContact O-N 2.92Å; T1195-D1199 PolarHBondContact O-N 3.31Å |
| 1196 | L | 85.7 | Confident | 82.9 | Confident | 24 Ų | 24 | 22.5 Ų | 22.5 | 13% | 0.126 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.9 | -30.9 | 174.6 | -179.7 | 60.3 | 0 | 0 | 0 | 113 | F1118 L1154 R1192 Q1193 Y1198 D1199 L1200 | F1118-L1196 HydrophobicContact CD1-CD1 3.49Å; F1118-L1196 VanDerWaalsContact CD1-CD1 3.49Å; F1118-L1196 HydrophobicContact CD1-CD2 3.64Å; F1118-L1196 HydrophobicContact CD1-CG 4.12Å; F1118-L1196 HydrophobicContact CD2-CD2 4.27Å; F1118-L1196 HydrophobicContact CE1-CD1 3.7Å; F1118-L1196 HydrophobicContact CE1-CD2 3.72Å; F1118-L1196 HydrophobicContact CE1-CG 4.07Å; F1118-L1196 HydrophobicContact CE2-CD2 4.34Å; F1118-L1196 HydrophobicContact CG-CD1 4.41Å; F1118-L1196 HydrophobicContact CG-CD2 3.91Å; F1118-L1196 HydrophobicContact CZ-CD2 4.05Å; L1154-L1196 HydrophobicContact CD1-CB 4.49Å; L1154-L1196 HydrophobicContact CD1-CD2 4.5Å; L1154-L1196 HydrophobicContact CD2-CD2 3.62Å; L1154-L1196 HydrophobicContact CD2-CG 4.2Å; R1192-L1196 VanDerWaalsContact O-CB 3.28Å; R1192-L1196 WeakPolarHBondContact O-CB 3.44Å; R1192-L1196 PolarHBondContact O-N 3.46Å; Q1193-L1196 PolarHBondContact O-N 2.91Å; L1196-Y1198 VanDerWaalsContact C-N 3.31Å; L1196-Y1198 PolarHBondContact O-N 2.83Å; L1196-D1199 HydrophobicContact CD1-CB 4.46Å; L1196-D1199 PolarHBondContact O-N 2.87Å; L1196-L1200 HydrophobicContact CD1-CG 4.4Å; L1196-L1200 HydrophobicContact CG-CD1 4.29Å; L1196-L1200 HydrophobicContact CG-CG 4.45Å; L1196-L1200 WeakPolarHBondContact O-CB 3.46Å; L1196-L1200 WeakPolarHBondContact O-CG 3.28Å; L1196-L1200 PolarHBondContact O-N 2.89Å |
| 1197 | L | 89.2 | Confident | 82.1 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.8 | -41.4 | 172 | -73.9 | 171.4 | 0 | 0 | 0 | 112 | L1154 A1157 F1158 L1161 V1173 I1188 Q1193 F1194 T1195 L1200 L1201 | L1154-L1197 HydrophobicContact CD1-CD1 4.44Å; L1154-L1197 HydrophobicContact CD1-CD2 3.65Å; L1154-L1197 HydrophobicContact CD1-CG 3.59Å; L1154-L1197 HydrophobicContact CG-CD2 4.03Å; A1157-L1197 HydrophobicContact CB-CD1 3.92Å; A1157-L1197 HydrophobicContact CB-CD2 3.95Å; F1158-L1197 HydrophobicContact CB-CD2 3.92Å; L1161-L1197 HydrophobicContact CD1-CD1 4.37Å; V1173-L1197 HydrophobicContact CG1-CB 4.25Å; V1173-L1197 HydrophobicContact CG1-CD1 4.04Å; I1188-L1197 HydrophobicContact CD1-CD1 4.48Å; Q1193-L1197 PolarHBondContact O-N 3.24Å; Q1193-L1197 VanDerWaalsContact O-N 3.14Å; F1194-L1197 WeakPolarHBondContact O-CB 3.47Å; F1194-L1197 PolarHBondContact O-N 3.3Å; T1195-L1197 PolarHBondContact O-N 3.44Å; L1197-L1200 PolarHBondContact O-N 2.85Å; L1197-L1201 WeakPolarHBondContact O-CB 2.93Å; L1197-L1201 VanDerWaalsContact O-CG 3.26Å; L1197-L1201 WeakPolarHBondContact O-CG 2.97Å; L1197-L1201 PolarHBondContact O-N 3.24Å |
| 1198 | Y | 88.2 | Confident | 81.2 | Confident | 5 Ų | 5 | 21 Ų | 21 | 2% | 0.02 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65 | -41.4 | 176 | -76.9 | -77.6 | 0 | 0 | 0 | 111.2 | W857 R867 F894 E897 V1173 F1194 T1195 L1196 L1200 L1201 F1202 | W857-Y1198 AromaticContact CD2-CD1 3.82Å; W857-Y1198 HydrophobicContact CD2-CD1 3.82Å; W857-Y1198 HydrophobicContact CD2-CE1 4.41Å; W857-Y1198 AromaticContact CE2-CD1 3.71Å; W857-Y1198 HydrophobicContact CE3-CD1 4.06Å; W857-Y1198 HydrophobicContact CE3-CE1 4.3Å; W857-Y1198 HydrophobicContact CG-CD1 4.4Å; W857-Y1198 HydrophobicContact CH2-CD1 4.07Å; W857-Y1198 AromaticContact CZ2-CD1 3.85Å; W857-Y1198 HydrophobicContact CZ2-CD1 3.85Å; W857-Y1198 VanDerWaalsContact CZ2-O 3.32Å; W857-Y1198 WeakPolarHBondContact CZ2-O 3.41Å; W857-Y1198 HydrophobicContact CZ3-CD1 4.16Å; W857-Y1198 HydrophobicContact CZ3-CE1 4.44Å; R867-Y1198 HydrophobicContact CB-CE1 4.28Å; R867-Y1198 HydrophobicContact CG-CE1 4.36Å; F894-Y1198 HydrophobicContact CD1-CD2 4.2Å; F894-Y1198 HydrophobicContact CD1-CE2 4.02Å; F894-Y1198 AromaticContact CE1-CD2 3.75Å; F894-Y1198 HydrophobicContact CE1-CD2 3.75Å; F894-Y1198 AromaticContact CE1-CE2 3.76Å; F894-Y1198 HydrophobicContact CE1-CE2 3.76Å; F894-Y1198 HydrophobicContact CE1-CG 4.12Å; E897-Y1198 PolarHBondContact OE2-OH 2.83Å; V1173-Y1198 HydrophobicContact CB-CE1 4.21Å; V1173-Y1198 HydrophobicContact CB-CE2 4.08Å; V1173-Y1198 HydrophobicContact CG1-CE2 4.13Å; V1173-Y1198 HydrophobicContact CG2-CD1 4.13Å; V1173-Y1198 HydrophobicContact CG2-CE1 3.57Å; V1173-Y1198 HydrophobicContact CG2-CE2 4.21Å; F1194-Y1198 HydrophobicContact CD1-CE2 4.36Å; F1194-Y1198 HydrophobicContact CE1-CD2 4.46Å; F1194-Y1198 AromaticContact CE1-CE2 3.69Å; F1194-Y1198 HydrophobicContact CE1-CE2 3.69Å; F1194-Y1198 HydrophobicContact CE2-CE2 4.49Å; F1194-Y1198 AromaticContact CZ-CE2 3.77Å; F1194-Y1198 HydrophobicContact CZ-CE2 3.77Å; T1195-Y1198 WeakPolarHBondContact O-CB 3.11Å; T1195-Y1198 PolarHBondContact O-N 2.92Å; L1196-Y1198 VanDerWaalsContact C-N 3.31Å; L1196-Y1198 PolarHBondContact O-N 2.83Å; Y1198-L1200 PolarHBondContact O-N 2.85Å; Y1198-L1201 PolarHBondContact O-N 2.65Å; Y1198-F1202 VanDerWaalsContact O-CB 3.31Å; Y1198-F1202 WeakPolarHBondContact O-CB 3.42Å; Y1198-F1202 PolarHBondContact O-N 3.01Å |
| 1199 | D | 85.7 | Confident | 80.7 | Confident | 10 Ų | 10 | 25.7 Ų | 25.7 | 5% | 0.053 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.3 | -39.5 | 176.8 | -68.4 | -36.1 | 0 | 0 | 0 | 112.7 | P851 D852 S853 T1195 L1196 E1203 | P851-D1199 WeakPolarHBondContact CA-OD2 3.19Å; P851-D1199 VanDerWaalsContact CB-OD1 3.29Å; P851-D1199 WeakPolarHBondContact CB-OD1 3.23Å; D852-D1199 PolarHBondContact N-OD1 3.12Å; D852-D1199 PolarHBondContact N-OD2 2.76Å; S853-D1199 VanDerWaalsContact CB-OD1 3.26Å; S853-D1199 WeakPolarHBondContact CB-OD1 3.43Å; S853-D1199 PolarHBondContact N-OD1 2.85Å; S853-D1199 PolarHBondContact OG-OD1 3.17Å; T1195-D1199 PolarHBondContact O-N 3.31Å; L1196-D1199 HydrophobicContact CD1-CB 4.46Å; L1196-D1199 PolarHBondContact O-N 2.87Å; D1199-E1203 WeakPolarHBondContact O-CG 3.1Å; D1199-E1203 PolarHBondContact O-N 3.02Å |
| 1200 | L | 89.5 | Confident | 81 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.7 | -43.5 | 175 | -76.7 | 172.2 | 0 | 0 | 0 | 112.2 | F1118 R1120 F1123 I1124 L1154 F1158 L1196 L1197 Y1198 E1203 V1204 | F1118-L1200 HydrophobicContact CE1-CD1 4.38Å; F1118-L1200 HydrophobicContact CE1-CD2 4.05Å; F1118-L1200 HydrophobicContact CE1-CG 4.4Å; F1118-L1200 HydrophobicContact CZ-CD1 4.49Å; R1120-L1200 HydrophobicContact CB-CD2 4.27Å; F1123-L1200 HydrophobicContact CD1-CD1 4.02Å; F1123-L1200 HydrophobicContact CD1-CD2 3.8Å; F1123-L1200 HydrophobicContact CE1-CD1 3.92Å; F1123-L1200 HydrophobicContact CE1-CD2 4.47Å; I1124-L1200 HydrophobicContact CD1-CD2 4.34Å; I1124-L1200 HydrophobicContact CG1-CD2 4.15Å; L1154-L1200 HydrophobicContact CD2-CD1 4.07Å; F1158-L1200 HydrophobicContact CD2-CB 3.66Å; F1158-L1200 HydrophobicContact CD2-CD1 4.27Å; F1158-L1200 HydrophobicContact CE2-CB 3.65Å; F1158-L1200 HydrophobicContact CG-CB 4.46Å; F1158-L1200 HydrophobicContact CG-CD1 4.28Å; F1158-L1200 HydrophobicContact CZ-CB 4.42Å; L1196-L1200 HydrophobicContact CD1-CG 4.4Å; L1196-L1200 HydrophobicContact CG-CD1 4.29Å; L1196-L1200 HydrophobicContact CG-CG 4.45Å; L1196-L1200 WeakPolarHBondContact O-CB 3.46Å; L1196-L1200 WeakPolarHBondContact O-CG 3.28Å; L1196-L1200 PolarHBondContact O-N 2.89Å; L1197-L1200 PolarHBondContact O-N 2.85Å; Y1198-L1200 PolarHBondContact O-N 2.85Å; L1200-E1203 PolarHBondContact O-N 2.82Å; L1200-V1204 PolarHBondContact O-N 3.36Å; L1200-V1204 VanDerWaalsContact O-N 3.14Å |
| 1201 | L | 88.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.8 | -42.8 | 176.1 | -73.6 | 171.1 | 0 | 0 | 0 | 111.4 | W857 F1158 L1161 V1171 V1173 L1197 Y1198 E1203 V1204 I1205 | W857-L1201 HydrophobicContact CH2-CB 4.21Å; W857-L1201 HydrophobicContact CZ2-CB 4.31Å; F1158-L1201 HydrophobicContact CD2-CD2 4.43Å; F1158-L1201 HydrophobicContact CE2-CD2 4.49Å; L1161-L1201 HydrophobicContact CB-CD1 4.18Å; L1161-L1201 HydrophobicContact CB-CD2 3.92Å; L1161-L1201 HydrophobicContact CD1-CD1 4.16Å; V1171-L1201 HydrophobicContact CG2-CD1 4.41Å; V1173-L1201 HydrophobicContact CG2-CD1 3.86Å; L1197-L1201 WeakPolarHBondContact O-CB 2.93Å; L1197-L1201 VanDerWaalsContact O-CG 3.26Å; L1197-L1201 WeakPolarHBondContact O-CG 2.97Å; L1197-L1201 PolarHBondContact O-N 3.24Å; Y1198-L1201 PolarHBondContact O-N 2.65Å; L1201-E1203 PolarHBondContact O-N 2.65Å; L1201-V1204 PolarHBondContact O-N 3.16Å; L1201-I1205 HydrophobicContact CB-CD1 4.09Å; L1201-I1205 HydrophobicContact CD2-CD1 4.41Å; L1201-I1205 VanDerWaalsContact O-CB 3.3Å; L1201-I1205 WeakPolarHBondContact O-CB 3.37Å; L1201-I1205 VanDerWaalsContact O-CD1 3.32Å; L1201-I1205 WeakPolarHBondContact O-CD1 3.38Å; L1201-I1205 WeakPolarHBondContact O-CG1 3.41Å; L1201-I1205 PolarHBondContact O-N 3.36Å |
| 1202 | F | 85.8 | Confident | 81.4 | Confident | 11 Ų | 11 | 23.2 Ų | 23.2 | 5% | 0.048 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.5 | -48.2 | 175.5 | 171.2 | -95 | 0 | 0 | 0 | 111.4 | S853 W856 W857 L869 Y1198 V1204 I1205 L1206 G1207 Y1245 | S853-F1202 VanDerWaalsContact CB-CG 3.49Å; W856-F1202 HydrophobicContact CB-CD2 3.84Å; W856-F1202 HydrophobicContact CB-CE2 3.67Å; W856-F1202 AromaticContact CD1-CE2 3.39Å; W856-F1202 AromaticContact CD1-CZ 3.64Å; W856-F1202 AromaticContact CD2-CE2 3.75Å; W856-F1202 HydrophobicContact CD2-CE2 3.75Å; W856-F1202 HydrophobicContact CD2-CZ 4.25Å; W856-F1202 AromaticContact CG-CD2 3.89Å; W856-F1202 HydrophobicContact CG-CD2 3.89Å; W856-F1202 AromaticContact CG-CE2 3.23Å; W856-F1202 HydrophobicContact CG-CE2 3.23Å; W856-F1202 AromaticContact CG-CZ 3.91Å; W856-F1202 HydrophobicContact CG-CZ 3.91Å; W856-F1202 AromaticContact NE1-CE2 3.97Å; W856-F1202 AromaticContact NE1-CZ 3.85Å; W857-F1202 HydrophobicContact CZ2-CB 4.01Å; L869-F1202 HydrophobicContact CD2-CD2 4.05Å; Y1198-F1202 VanDerWaalsContact O-CB 3.31Å; Y1198-F1202 WeakPolarHBondContact O-CB 3.42Å; Y1198-F1202 PolarHBondContact O-N 3.01Å; F1202-V1204 PolarHBondContact O-N 2.98Å; F1202-I1205 PolarHBondContact O-N 2.9Å; F1202-L1206 HydrophobicContact CD2-CB 4.26Å; F1202-L1206 HydrophobicContact CD2-CD1 3.97Å; F1202-L1206 HydrophobicContact CE2-CB 4.03Å; F1202-L1206 HydrophobicContact CE2-CD1 3.7Å; F1202-L1206 HydrophobicContact CE2-CG 4.47Å; F1202-L1206 PolarHBondContact O-N 3.1Å; F1202-G1207 PolarHBondContact O-N 2.94Å; F1202-Y1245 AromaticContact CZ-CD1 4Å; F1202-Y1245 HydrophobicContact CZ-CD1 4Å; F1202-Y1245 HydrophobicContact CZ-CE1 4.41Å |
| 1203 | E | 84.6 | Confident | 81.7 | Confident | 4 Ų | 4 | 21.7 Ų | 21.7 | 2% | 0.019 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.4 | -41.1 | -179.8 | -72.8 | -61.2 | 156.9 | 0 | 0 | 112.4 | R1120 I1124 D1199 L1200 L1201 G1207 G1208 K1544 | R1120-E1203 HydrophobicContact CB-CG 4.21Å; R1120-E1203 IonicContact CZ-OE1 3.06Å; R1120-E1203 IonicContact NE-OE1 3.58Å; R1120-E1203 IonicContact NH1-OE1 3.13Å; R1120-E1203 PolarHBondContact NH1-OE1 3.31Å; R1120-E1203 IonicContact NH2-OE1 2.7Å; R1120-E1203 PolarHBondContact NH2-OE1 3Å; I1124-E1203 HydrophobicContact CD1-CB 3.59Å; D1199-E1203 WeakPolarHBondContact O-CG 3.1Å; D1199-E1203 PolarHBondContact O-N 3.02Å; L1200-E1203 PolarHBondContact O-N 2.82Å; L1201-E1203 PolarHBondContact O-N 2.65Å; E1203-G1207 CarbonylContact O-C 3.5Å; E1203-G1207 WeakPolarHBondContact O-CA 2.99Å; E1203-G1207 PolarHBondContact O-N 2.98Å; E1203-G1208 PolarHBondContact O-N 2.84Å; E1203-K1544 IonicContact OE1-NZ 3.3Å; E1203-K1544 IonicContact OE2-NZ 3.16Å; E1203-K1544 PolarHBondContact OE2-NZ 3.26Å |
| 1204 | V | 82.5 | Confident | 81.5 | Confident | 3 Ų | 3 | 24.5 Ų | 24.5 | 2% | 0.018 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -78.8 | -32.4 | -179.5 | 177.9 | 0 | 0 | 0 | 0 | 113.6 | I1124 Y1128 F1158 L1162 L1200 L1201 F1202 H1209 | I1124-V1204 HydrophobicContact CB-CG2 4.49Å; I1124-V1204 HydrophobicContact CD1-CG2 3.56Å; I1124-V1204 HydrophobicContact CG1-CG2 3.72Å; I1124-V1204 HydrophobicContact CG2-CG2 3.9Å; Y1128-V1204 VanDerWaalsContact OH-CG1 3.28Å; Y1128-V1204 WeakPolarHBondContact OH-CG1 3.44Å; F1158-V1204 HydrophobicContact CE2-CG2 4.24Å; F1158-V1204 HydrophobicContact CZ-CG2 3.76Å; L1162-V1204 HydrophobicContact CD1-CB 4.27Å; L1162-V1204 HydrophobicContact CD1-CG1 3.51Å; L1162-V1204 HydrophobicContact CD2-CG1 4.03Å; L1162-V1204 HydrophobicContact CG-CG1 4.46Å; L1200-V1204 PolarHBondContact O-N 3.36Å; L1200-V1204 VanDerWaalsContact O-N 3.14Å; L1201-V1204 PolarHBondContact O-N 3.16Å; F1202-V1204 PolarHBondContact O-N 2.98Å; V1204-H1209 PolarHBondContact O-ND1 3.09Å |
| 1205 | I | 78.6 | Confident | 81.2 | Confident | 57 Ų | 57 | 28.4 Ų | 28.4 | 29% | 0.292 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -84.5 | -57 | -176.4 | -60.7 | 161.4 | 0 | 0 | 0 | 111.8 | L869 V1165 L1201 F1202 | L869-I1205 HydrophobicContact CD1-CB 3.97Å; L869-I1205 HydrophobicContact CD1-CD1 4.06Å; L869-I1205 HydrophobicContact CD1-CG2 3.54Å; V1165-I1205 HydrophobicContact CB-CD1 4.32Å; V1165-I1205 HydrophobicContact CG1-CD1 4.11Å; V1165-I1205 HydrophobicContact CG1-CG1 4.07Å; V1165-I1205 HydrophobicContact CG2-CD1 3.79Å; V1165-I1205 HydrophobicContact CG2-CG1 4.27Å; L1201-I1205 HydrophobicContact CB-CD1 4.09Å; L1201-I1205 HydrophobicContact CD2-CD1 4.41Å; L1201-I1205 VanDerWaalsContact O-CB 3.3Å; L1201-I1205 WeakPolarHBondContact O-CB 3.37Å; L1201-I1205 VanDerWaalsContact O-CD1 3.32Å; L1201-I1205 WeakPolarHBondContact O-CD1 3.38Å; L1201-I1205 WeakPolarHBondContact O-CG1 3.41Å; L1201-I1205 PolarHBondContact O-N 3.36Å; F1202-I1205 PolarHBondContact O-N 2.9Å |
| 1206 | L | 70.6 | Confident | 81 | Confident | 26 Ų | 26 | 28.3 Ų | 28.3 | 14% | 0.136 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -35.2 | -178.1 | -70.7 | -178 | 0 | 0 | 0 | 112.8 | L869 I871 F1202 G1208 | L869-L1206 HydrophobicContact CB-CD1 4.05Å; L869-L1206 HydrophobicContact CD1-CD1 4.14Å; L869-L1206 HydrophobicContact CD1-CG 3.92Å; L869-L1206 HydrophobicContact CD2-CD1 3.76Å; L869-L1206 HydrophobicContact CD2-CG 4.39Å; L869-L1206 HydrophobicContact CG-CD1 4.18Å; L869-L1206 HydrophobicContact CG-CG 4.5Å; I871-L1206 HydrophobicContact CD1-CD2 3.47Å; I871-L1206 VanDerWaalsContact CD1-CD2 3.47Å; I871-L1206 HydrophobicContact CG1-CD1 4.3Å; I871-L1206 HydrophobicContact CG1-CD2 4.02Å; F1202-L1206 HydrophobicContact CD2-CB 4.26Å; F1202-L1206 HydrophobicContact CD2-CD1 3.97Å; F1202-L1206 HydrophobicContact CE2-CB 4.03Å; F1202-L1206 HydrophobicContact CE2-CD1 3.7Å; F1202-L1206 HydrophobicContact CE2-CG 4.47Å; F1202-L1206 PolarHBondContact O-N 3.1Å; L1206-G1208 PolarHBondContact O-N 2.85Å; L1206-G1208 VanDerWaalsContact O-N 3.1Å |
| 1207 | G | 65.4 | Low | 80.9 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -55.8 | -28.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F1202 E1203 F1540 | F1202-G1207 PolarHBondContact O-N 2.94Å; E1203-G1207 CarbonylContact O-C 3.5Å; E1203-G1207 WeakPolarHBondContact O-CA 2.99Å; E1203-G1207 PolarHBondContact O-N 2.98Å; G1207-F1540 WeakPolarHBondContact O-CE1 3.02Å; G1207-F1540 WeakPolarHBondContact O-CZ 3.23Å |
| 1208 | G | 66.2 | Low | 80.3 | Confident | 14 Ų | 14 | 36.2 Ų | 36.2 | 14% | 0.144 | 19% | 0.187 | C | C | . | . | trans | 92.8 | 146.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1203 L1206 F1540 H1541 | E1203-G1208 PolarHBondContact O-N 2.84Å; L1206-G1208 PolarHBondContact O-N 2.85Å; L1206-G1208 VanDerWaalsContact O-N 3.1Å; G1208-F1540 WeakPolarHBondContact O-CD1 3.36Å; G1208-H1541 PolarHBondContact O-CE1 2.8Å; G1208-H1541 PolarHBondContact O-ND1 2.58Å | ||
| 1209 | H | 72.4 | Confident | 80 | Confident | 99 Ų | 99 | 37.2 Ų | 37.2 | 46% | 0.458 | 19% | 0.194 | S | C | . | . | trans | -136.8 | 146.1 | 170.8 | 63.3 | -83 | 0 | 0 | 0 | 109.6 | V1204 D1538 | V1204-H1209 PolarHBondContact O-ND1 3.09Å; H1209-D1538 WeakPolarHBondContact CB-OD2 3.29Å | ||
| 1210 | C | 80.9 | Confident | 80.1 | Confident | 19 Ų | 19 | 37.8 Ų | 37.8 | 13% | 0.128 | 20% | 0.195 | C | C | . | . | trans | -142.3 | 82.8 | 173.6 | -170.7 | 0 | 0 | 0 | 0 | 109.3 | V1212 D1538 L1539 F1540 Y1564 | C1210-V1212 PolarHBondContact O-N 3.35Å; C1210-D1538 PolarHBondContact N-OD1 3.18Å; C1210-D1538 CarbonylContact O-C 3.51Å; C1210-D1538 WeakPolarHBondContact O-CA 3.44Å; C1210-L1539 PolarHBondContact O-N 2.84Å; C1210-F1540 HydrophobicContact CB-CB 3.84Å; C1210-Y1564 PolarHBondContact SG-OH 3.31Å | ||
| 1211 | I | 81.2 | Confident | 79.8 | Confident | 67 Ų | 67 | 42.5 Ų | 42.5 | 34% | 0.344 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 118.3 | 174.4 | -57.4 | 173 | 0 | 0 | 0 | 107.7 | Y1128 Y1536 D1538 | Y1128-I1211 HydrophobicContact CD1-CD1 3.73Å; Y1128-I1211 HydrophobicContact CD2-CD1 4.48Å; Y1128-I1211 HydrophobicContact CE1-CD1 3.85Å; Y1128-I1211 HydrophobicContact CG-CD1 4.07Å; I1211-Y1536 HydrophobicContact CG2-CD2 4.16Å; I1211-D1538 HydrophobicContact CG1-CB 4.32Å |
| 1212 | V | 83.2 | Confident | 79.4 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 133.6 | 178.9 | -164.6 | 0 | 0 | 0 | 0 | 108.9 | C1210 V1216 T1219 Y1536 V1537 L1539 Y1564 | C1210-V1212 PolarHBondContact O-N 3.35Å; V1212-V1216 HydrophobicContact CG1-CB 3.99Å; V1212-V1216 HydrophobicContact CG1-CG1 4.18Å; V1212-V1216 HydrophobicContact CG1-CG2 3.68Å; V1212-T1219 HydrophobicContact CG1-CG2 4.45Å; V1212-T1219 HydrophobicContact CG2-CG2 4.05Å; V1212-Y1536 CarbonylContact O-C 3.52Å; V1212-Y1536 WeakPolarHBondContact O-CA 3.36Å; V1212-Y1536 WeakPolarHBondContact O-CB 3.45Å; V1212-V1537 PolarHBondContact N-O 3.05Å; V1212-V1537 PolarHBondContact O-N 3.03Å; V1212-L1539 HydrophobicContact CG2-CB 4.45Å; V1212-Y1564 HydrophobicContact CG2-CE1 4.49Å |
| 1213 | D | 83 | Confident | 79.4 | Confident | 88 Ų | 88 | 48 Ų | 48 | 47% | 0.471 | 24% | 0.243 | S | C | . | . | trans | -93.3 | -159 | 175.7 | 64.6 | 8.1 | 0 | 0 | 0 | 111.3 | D1215 V1216 M1531 | D1213-D1215 PolarHBondContact O-N 3.33Å; D1213-D1215 WeakPolarHBondContact OD1-CA 3.32Å; D1213-D1215 PolarHBondContact OD1-N 2.97Å; D1213-V1216 VanDerWaalsContact O-CG2 3.29Å; D1213-V1216 WeakPolarHBondContact O-CG2 3.39Å; D1213-M1531 VanDerWaalsContact O-CE 3.31Å; D1213-M1531 WeakPolarHBondContact O-CE 3.2Å | ||
| 1214 | L | 78.6 | Confident | 79.5 | Confident | 81 Ų | 81 | 50.5 Ų | 50.5 | 42% | 0.424 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -65.8 | -16.1 | 177.1 | -64.8 | 175.4 | 0 | 0 | 0 | 113.7 | V1216 M1531 H1535 I1571 L1575 | L1214-V1216 VanDerWaalsContact C-N 3.31Å; L1214-V1216 PolarHBondContact O-N 3.44Å; L1214-M1531 HydrophobicContact CD2-CG 4.43Å; L1214-M1531 HydrophobicContact CD2-SD 3.87Å; L1214-H1535 HydrophobicContact CD1-CB 4.27Å; L1214-H1535 HydrophobicContact CD2-CB 4.29Å; L1214-H1535 HydrophobicContact CG-CB 4.18Å; L1214-H1535 PolarHBondContact N-O 2.88Å; L1214-I1571 HydrophobicContact CD2-CG2 4.47Å; L1214-L1575 HydrophobicContact CD2-CD1 3.69Å |
| 1215 | D | 78.9 | Confident | 79.4 | Confident | 83 Ų | 83 | 54.2 Ų | 54.2 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | trans | -93.5 | 52.7 | 174.8 | -172.1 | 23.3 | 0 | 0 | 0 | 112 | D1213 Y1217 S1218 | D1213-D1215 PolarHBondContact O-N 3.33Å; D1213-D1215 WeakPolarHBondContact OD1-CA 3.32Å; D1213-D1215 PolarHBondContact OD1-N 2.97Å; D1215-Y1217 PolarHBondContact O-N 2.83Å; D1215-S1218 PolarHBondContact O-N 3.48Å; D1215-S1218 VanDerWaalsContact O-N 3.14Å; D1215-S1218 PolarHBondContact O-OG 3.13Å; D1215-S1218 PolarHBondContact OD1-N 3Å; D1215-S1218 WeakPolarHBondContact OD2-CB 3.46Å; D1215-S1218 PolarHBondContact OD2-OG 3.38Å | ||
| 1216 | V | 81.6 | Confident | 79.3 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -53.3 | -26.9 | 175.9 | -176.9 | 0 | 0 | 0 | 0 | 112.5 | V1212 D1213 L1214 Y1220 M1531 Y1564 L1567 I1568 I1571 | V1212-V1216 HydrophobicContact CG1-CB 3.99Å; V1212-V1216 HydrophobicContact CG1-CG1 4.18Å; V1212-V1216 HydrophobicContact CG1-CG2 3.68Å; D1213-V1216 VanDerWaalsContact O-CG2 3.29Å; D1213-V1216 WeakPolarHBondContact O-CG2 3.39Å; L1214-V1216 VanDerWaalsContact C-N 3.31Å; L1214-V1216 PolarHBondContact O-N 3.44Å; V1216-Y1220 VanDerWaalsContact O-CB 3.28Å; V1216-Y1220 WeakPolarHBondContact O-CB 3.37Å; V1216-Y1220 PolarHBondContact O-N 2.85Å; V1216-M1531 HydrophobicContact CG2-CE 3.84Å; V1216-Y1564 HydrophobicContact CG1-CD1 3.88Å; V1216-L1567 HydrophobicContact CG1-CB 4.14Å; V1216-L1567 HydrophobicContact CG2-CB 4.4Å; V1216-I1568 HydrophobicContact CB-CG1 3.87Å; V1216-I1568 HydrophobicContact CG1-CD1 4.38Å; V1216-I1568 HydrophobicContact CG1-CG1 3.77Å; V1216-I1571 HydrophobicContact CB-CD1 4.19Å; V1216-I1571 HydrophobicContact CG2-CD1 3.33Å |
| 1217 | Y | 83.3 | Confident | 79.4 | Confident | 139 Ų | 139 | 57.7 Ų | 57.7 | 55% | 0.545 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.4 | -40.9 | -179.2 | -178.7 | -99.1 | 0 | 0 | 0 | 113 | D1215 Y1220 K1221 I1568 | D1215-Y1217 PolarHBondContact O-N 2.83Å; Y1217-Y1220 PolarHBondContact O-N 2.86Å; Y1217-K1221 WeakPolarHBondContact O-CB 3.41Å; Y1217-K1221 PolarHBondContact O-N 3.4Å; Y1217-I1568 HydrophobicContact CD2-CD1 4.17Å |
| 1218 | S | 77.6 | Confident | 79.6 | Confident | 51 Ų | 51 | 64.1 Ų | 64.1 | 36% | 0.357 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67 | -45.7 | 179.2 | 61.2 | 0 | 0 | 0 | 0 | 111.7 | D1215 Y1220 K1221 M1222 | D1215-S1218 PolarHBondContact O-N 3.48Å; D1215-S1218 VanDerWaalsContact O-N 3.14Å; D1215-S1218 PolarHBondContact O-OG 3.13Å; D1215-S1218 PolarHBondContact OD1-N 3Å; D1215-S1218 WeakPolarHBondContact OD2-CB 3.46Å; D1215-S1218 PolarHBondContact OD2-OG 3.38Å; S1218-Y1220 PolarHBondContact O-N 3.01Å; S1218-K1221 WeakPolarHBondContact O-CB 3.29Å; S1218-K1221 PolarHBondContact O-N 3.34Å; S1218-M1222 PolarHBondContact O-N 3.27Å |
| 1219 | T | 81.8 | Confident | 79.5 | Confident | 27 Ų | 27 | 72.5 Ų | 72.5 | 17% | 0.166 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 173.6 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | V1212 K1221 M1222 L1223 Y1564 | V1212-T1219 HydrophobicContact CG1-CG2 4.45Å; V1212-T1219 HydrophobicContact CG2-CG2 4.05Å; T1219-K1221 VanDerWaalsContact C-N 3.35Å; T1219-K1221 PolarHBondContact O-N 3.26Å; T1219-M1222 WeakPolarHBondContact O-CB 3.45Å; T1219-M1222 PolarHBondContact O-N 2.78Å; T1219-L1223 HydrophobicContact CG2-CD1 4.03Å; T1219-L1223 HydrophobicContact CG2-CG 4.48Å; T1219-L1223 WeakPolarHBondContact O-CG 3.41Å; T1219-L1223 PolarHBondContact O-N 3.32Å; T1219-Y1564 HydrophobicContact CG2-CE1 4.38Å |
| 1220 | Y | 88.7 | Confident | 79.5 | Confident | 21 Ų | 21 | 71.6 Ų | 71.6 | 8% | 0.082 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61 | -42.2 | 176.5 | 175.9 | -114.1 | 0 | 0 | 0 | 112.4 | V1216 Y1217 S1218 L1223 C1224 L1235 R1561 Y1564 R1565 I1568 | V1216-Y1220 VanDerWaalsContact O-CB 3.28Å; V1216-Y1220 WeakPolarHBondContact O-CB 3.37Å; V1216-Y1220 PolarHBondContact O-N 2.85Å; Y1217-Y1220 PolarHBondContact O-N 2.86Å; S1218-Y1220 PolarHBondContact O-N 3.01Å; Y1220-L1223 PolarHBondContact O-N 2.83Å; Y1220-C1224 VanDerWaalsContact CE2-SG 3.57Å; Y1220-C1224 PolarHBondContact O-N 2.72Å; Y1220-C1224 PolarHBondContact O-SG 3.11Å; Y1220-L1235 HydrophobicContact CE2-CD2 4.47Å; Y1220-R1561 HydrophobicContact CE2-CG 3.98Å; Y1220-R1561 VanDerWaalsContact OH-CG 3.31Å; Y1220-R1561 WeakPolarHBondContact OH-CG 3.28Å; Y1220-Y1564 VanDerWaalsContact CD2-CB 3.47Å; Y1220-Y1564 HydrophobicContact CD2-CD1 4.36Å; Y1220-Y1564 HydrophobicContact CD2-CD2 4.38Å; Y1220-Y1564 AromaticContact CD2-CG 3.84Å; Y1220-Y1564 HydrophobicContact CD2-CG 3.84Å; Y1220-R1565 HydrophobicContact CE1-CG 4.21Å; Y1220-R1565 PolarHBondContact OH-NE 2.95Å; Y1220-R1565 PolarHBondContact OH-NH2 2.83Å; Y1220-I1568 HydrophobicContact CD1-CD1 3.96Å; Y1220-I1568 HydrophobicContact CG-CD1 4.14Å |
| 1221 | K | 82.4 | Confident | 79.2 | Confident | 99 Ų | 99 | 76 Ų | 76 | 43% | 0.43 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 176.7 | -174.8 | -177.8 | 175.9 | -170.4 | 0 | 110.7 | Y1217 S1218 T1219 C1224 H1225 | Y1217-K1221 WeakPolarHBondContact O-CB 3.41Å; Y1217-K1221 PolarHBondContact O-N 3.4Å; S1218-K1221 WeakPolarHBondContact O-CB 3.29Å; S1218-K1221 PolarHBondContact O-N 3.34Å; T1219-K1221 VanDerWaalsContact C-N 3.35Å; T1219-K1221 PolarHBondContact O-N 3.26Å; K1221-C1224 PolarHBondContact O-N 2.84Å; K1221-H1225 PolarHBondContact O-CE1 2.92Å; K1221-H1225 VanDerWaalsContact O-CE1 3.24Å; K1221-H1225 PolarHBondContact O-ND1 3.14Å |
| 1222 | M | 81.1 | Confident | 79.2 | Confident | 114 Ų | 114 | 79.2 Ų | 79.2 | 56% | 0.562 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -58.4 | -48.7 | 174.5 | -177.9 | -172.4 | 69.1 | 0 | 0 | 110.9 | S1218 T1219 C1224 H1225 | S1218-M1222 PolarHBondContact O-N 3.27Å; T1219-M1222 WeakPolarHBondContact O-CB 3.45Å; T1219-M1222 PolarHBondContact O-N 2.78Å; M1222-C1224 PolarHBondContact O-N 3.16Å; M1222-H1225 WeakPolarHBondContact O-CB 3.4Å; M1222-H1225 PolarHBondContact O-N 3.02Å; M1222-H1225 PolarHBondContact O-ND1 2.85Å |
| 1223 | L | 84.7 | Confident | 79.2 | Confident | 14 Ų | 14 | 80.2 Ų | 80.2 | 7% | 0.073 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.4 | -25.1 | -179.5 | -70.3 | 171.9 | 0 | 0 | 0 | 113.9 | T1219 Y1220 H1225 Y1234 L1235 Y1564 | T1219-L1223 HydrophobicContact CG2-CD1 4.03Å; T1219-L1223 HydrophobicContact CG2-CG 4.48Å; T1219-L1223 WeakPolarHBondContact O-CG 3.41Å; T1219-L1223 PolarHBondContact O-N 3.32Å; Y1220-L1223 PolarHBondContact O-N 2.83Å; L1223-H1225 PolarHBondContact O-N 2.7Å; L1223-Y1234 CarbonylContact O-C 3.43Å; L1223-Y1234 PolarHBondContact O-N 2.77Å; L1223-L1235 HydrophobicContact CB-CB 4.09Å; L1223-L1235 HydrophobicContact CB-CD1 4.28Å; L1223-L1235 HydrophobicContact CD1-CD1 4.3Å; L1223-L1235 WeakPolarHBondContact O-CB 3.27Å; L1223-L1235 PolarHBondContact O-N 3.16Å; L1223-Y1564 HydrophobicContact CD1-CE1 3.83Å; L1223-Y1564 HydrophobicContact CD1-CE2 3.9Å; L1223-Y1564 WeakPolarHBondContact CD1-OH 3.39Å |
| 1224 | C | 86.2 | Confident | 79.2 | Confident | 56 Ų | 56 | 80.4 Ų | 80.4 | 38% | 0.378 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -14.8 | 174.3 | -67.5 | 0 | 0 | 0 | 0 | 113.8 | Y1220 K1221 M1222 | Y1220-C1224 VanDerWaalsContact CE2-SG 3.57Å; Y1220-C1224 PolarHBondContact O-N 2.72Å; Y1220-C1224 PolarHBondContact O-SG 3.11Å; K1221-C1224 PolarHBondContact O-N 2.84Å; M1222-C1224 PolarHBondContact O-N 3.16Å |
| 1225 | H | 80.8 | Confident | 79.6 | Confident | 80 Ų | 80 | 76.7 Ų | 76.7 | 37% | 0.37 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -70 | 147.8 | 177.5 | -68.4 | 59.9 | 0 | 0 | 0 | 110.5 | K1221 M1222 L1223 S1233 Y1234 | K1221-H1225 PolarHBondContact O-CE1 2.92Å; K1221-H1225 VanDerWaalsContact O-CE1 3.24Å; K1221-H1225 PolarHBondContact O-ND1 3.14Å; M1222-H1225 WeakPolarHBondContact O-CB 3.4Å; M1222-H1225 PolarHBondContact O-N 3.02Å; M1222-H1225 PolarHBondContact O-ND1 2.85Å; L1223-H1225 PolarHBondContact O-N 2.7Å; H1225-S1233 CarbonylContact O-C 3.59Å; H1225-S1233 VanDerWaalsContact O-CA 3.23Å; H1225-S1233 WeakPolarHBondContact O-CA 3.49Å; H1225-Y1234 HydrophobicContact CB-CD2 4.09Å; H1225-Y1234 HydrophobicContact CB-CE2 4.14Å; H1225-Y1234 WeakPolarHBondContact O-CD2 3.24Å; H1225-Y1234 PolarHBondContact O-N 3.13Å |
| 1226 | K | 75.9 | Confident | 80 | Confident | 129 Ų | 129 | 76.4 Ų | 76.4 | 56% | 0.561 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 133.1 | 175.9 | -71 | -172.6 | 173.9 | -168 | 0 | 110.5 | T1228 N1231 R1232 | K1226-T1228 PolarHBondContact O-N 3.19Å; K1226-N1231 PolarHBondContact NZ-OD1 3.29Å; K1226-R1232 CarbonylContact C-O 3.5Å; K1226-R1232 WeakPolarHBondContact CA-O 3.4Å |
| 1227 | N | 73.4 | Confident | 79.9 | Confident | 28 Ų | 28 | 78.6 Ų | 78.6 | 15% | 0.15 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 122.7 | 162.2 | -176.3 | -21.8 | 0 | 0 | 0 | 108.6 | K1229 I1230 N1231 R1232 Y1234 E1237 | N1227-K1229 PolarHBondContact O-N 2.87Å; N1227-K1229 PolarHBondContact OD1-N 3.34Å; N1227-I1230 HydrophobicContact CB-CG1 3.87Å; N1227-I1230 PolarHBondContact O-N 3.43Å; N1227-N1231 WeakPolarHBondContact O-CA 3Å; N1227-N1231 PolarHBondContact O-N 3.45Å; N1227-R1232 PolarHBondContact N-O 3.18Å; N1227-Y1234 HydrophobicContact CB-CD1 4.18Å; N1227-Y1234 HydrophobicContact CB-CE1 3.69Å; N1227-E1237 WeakPolarHBondContact CB-OE1 3.49Å; N1227-E1237 PolarHBondContact ND2-OE1 3.19Å |
| 1228 | T | 70 | Confident | 80 | Confident | 134 Ų | 134 | 72.8 Ų | 72.8 | 82% | 0.822 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -26.9 | -176.3 | 50.9 | 0 | 0 | 0 | 0 | 112.8 | K1226 | K1226-T1228 PolarHBondContact O-N 3.19Š|
| 1229 | K | 63.9 | Low | 80.5 | Confident | 191 Ų | 191 | 72.5 Ų | 72.5 | 83% | 0.83 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -40.7 | -178.5 | -65.8 | -173.1 | 177.1 | -175.6 | 0 | 113.1 | N1227 | N1227-K1229 PolarHBondContact O-N 2.87Å; N1227-K1229 PolarHBondContact OD1-N 3.34Å |
| 1230 | I | 71.6 | Confident | 80.6 | Confident | 80 Ų | 80 | 71.8 Ų | 71.8 | 41% | 0.41 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -4.7 | -175.5 | 63.7 | 163.9 | 0 | 0 | 0 | 113.6 | N1227 R1232 W1236 E1237 | N1227-I1230 HydrophobicContact CB-CG1 3.87Å; N1227-I1230 PolarHBondContact O-N 3.43Å; I1230-R1232 HydrophobicContact CD1-CB 3.78Å; I1230-R1232 HydrophobicContact CD1-CG 4.32Å; I1230-R1232 HydrophobicContact CG1-CB 4.03Å; I1230-R1232 PolarHBondContact O-N 2.84Å; I1230-W1236 HydrophobicContact CD1-CE3 4.31Å; I1230-W1236 HydrophobicContact CD1-CZ3 4.19Å; I1230-E1237 HydrophobicContact CD1-CG 3.37Å; I1230-E1237 WeakPolarHBondContact CD1-OE1 3.25Å; I1230-E1237 WeakPolarHBondContact CG1-OE1 3.3Å |
| 1231 | N | 75.9 | Confident | 80.2 | Confident | 110 Ų | 110 | 72.8 Ų | 72.8 | 59% | 0.588 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 25.4 | -177.1 | -165.7 | 17 | 0 | 0 | 0 | 114.3 | K1226 N1227 | K1226-N1231 PolarHBondContact NZ-OD1 3.29Å; N1227-N1231 WeakPolarHBondContact O-CA 3Å; N1227-N1231 PolarHBondContact O-N 3.45Å |
| 1232 | R | 80.2 | Confident | 80.2 | Confident | 135 Ų | 135 | 68.2 Ų | 68.2 | 51% | 0.509 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 159.7 | 173.2 | -63.3 | -71 | -173.7 | 170.8 | 0.7 | 109.3 | K1226 N1227 I1230 W1236 | K1226-R1232 CarbonylContact C-O 3.5Å; K1226-R1232 WeakPolarHBondContact CA-O 3.4Å; N1227-R1232 PolarHBondContact N-O 3.18Å; I1230-R1232 HydrophobicContact CD1-CB 3.78Å; I1230-R1232 HydrophobicContact CD1-CG 4.32Å; I1230-R1232 HydrophobicContact CG1-CB 4.03Å; I1230-R1232 PolarHBondContact O-N 2.84Å; R1232-W1236 HydrophobicContact CB-CB 4.26Å; R1232-W1236 HydrophobicContact CB-CD2 3.92Å; R1232-W1236 HydrophobicContact CB-CE3 3.58Å; R1232-W1236 HydrophobicContact CB-CG 4.22Å; R1232-W1236 HydrophobicContact CB-CZ3 4.27Å; R1232-W1236 HydrophobicContact CG-CD2 3.91Å; R1232-W1236 HydrophobicContact CG-CE3 3.7Å; R1232-W1236 HydrophobicContact CG-CG 4.48Å; R1232-W1236 HydrophobicContact CG-CH2 4.49Å; R1232-W1236 HydrophobicContact CG-CZ3 4.02Å |
| 1233 | S | 83.8 | Confident | 80.1 | Confident | 24 Ų | 24 | 65 Ų | 65 | 17% | 0.168 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 151.6 | 175.4 | 59.7 | 0 | 0 | 0 | 0 | 111.5 | H1225 L1235 W1236 E1237 | H1225-S1233 CarbonylContact O-C 3.59Å; H1225-S1233 VanDerWaalsContact O-CA 3.23Å; H1225-S1233 WeakPolarHBondContact O-CA 3.49Å; S1233-L1235 PolarHBondContact O-N 3.04Å; S1233-W1236 WeakPolarHBondContact O-CA 3.08Å; S1233-W1236 VanDerWaalsContact O-CB 3.31Å; S1233-W1236 WeakPolarHBondContact O-CB 3.11Å; S1233-W1236 PolarHBondContact O-N 3.13Å; S1233-W1236 PolarHBondContact OG-N 3.25Å; S1233-E1237 PolarHBondContact O-N 3.14Å |
| 1234 | Y | 83.4 | Confident | 79.6 | Confident | 92 Ų | 92 | 69 Ų | 69 | 36% | 0.361 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.2 | -27.5 | 172.1 | -65.5 | -68.1 | 0 | 0 | 0 | 112.3 | L1223 H1225 N1227 W1236 E1237 Q1238 | L1223-Y1234 CarbonylContact O-C 3.43Å; L1223-Y1234 PolarHBondContact O-N 2.77Å; H1225-Y1234 HydrophobicContact CB-CD2 4.09Å; H1225-Y1234 HydrophobicContact CB-CE2 4.14Å; H1225-Y1234 WeakPolarHBondContact O-CD2 3.24Å; H1225-Y1234 PolarHBondContact O-N 3.13Å; N1227-Y1234 HydrophobicContact CB-CD1 4.18Å; N1227-Y1234 HydrophobicContact CB-CE1 3.69Å; Y1234-W1236 VanDerWaalsContact C-N 3.34Å; Y1234-E1237 WeakPolarHBondContact CD1-OE2 3.21Å; Y1234-E1237 WeakPolarHBondContact O-CB 3.36Å; Y1234-E1237 PolarHBondContact O-N 3.14Å; Y1234-Q1238 PolarHBondContact O-N 2.88Å |
| 1235 | L | 86.8 | Confident | 78.9 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.2 | -41 | 169.8 | -172.9 | 75 | 0 | 0 | 0 | 112 | Y1220 L1223 S1233 Q1238 W1239 L1560 R1561 Y1564 | Y1220-L1235 HydrophobicContact CE2-CD2 4.47Å; L1223-L1235 HydrophobicContact CB-CB 4.09Å; L1223-L1235 HydrophobicContact CB-CD1 4.28Å; L1223-L1235 HydrophobicContact CD1-CD1 4.3Å; L1223-L1235 WeakPolarHBondContact O-CB 3.27Å; L1223-L1235 PolarHBondContact O-N 3.16Å; S1233-L1235 PolarHBondContact O-N 3.04Å; L1235-Q1238 PolarHBondContact O-N 2.86Å; L1235-W1239 PolarHBondContact O-N 2.94Å; L1235-L1560 HydrophobicContact CD1-CD2 4.03Å; L1235-L1560 HydrophobicContact CD1-CG 4.09Å; L1235-L1560 HydrophobicContact CG-CD2 4.4Å; L1235-R1561 HydrophobicContact CD2-CB 3.76Å; L1235-R1561 HydrophobicContact CD2-CG 4.05Å; L1235-Y1564 HydrophobicContact CD1-CD2 3.68Å; L1235-Y1564 HydrophobicContact CD1-CE2 3.57Å |
| 1236 | W | 86.8 | Confident | 78.6 | Confident | 77 Ų | 77 | 64.3 Ų | 64.3 | 29% | 0.292 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.9 | -39.7 | 175.5 | -178.4 | 91.1 | 0 | 0 | 0 | 110.3 | I1230 R1232 S1233 Y1234 W1239 S1240 | I1230-W1236 HydrophobicContact CD1-CE3 4.31Å; I1230-W1236 HydrophobicContact CD1-CZ3 4.19Å; R1232-W1236 HydrophobicContact CB-CB 4.26Å; R1232-W1236 HydrophobicContact CB-CD2 3.92Å; R1232-W1236 HydrophobicContact CB-CE3 3.58Å; R1232-W1236 HydrophobicContact CB-CG 4.22Å; R1232-W1236 HydrophobicContact CB-CZ3 4.27Å; R1232-W1236 HydrophobicContact CG-CD2 3.91Å; R1232-W1236 HydrophobicContact CG-CE3 3.7Å; R1232-W1236 HydrophobicContact CG-CG 4.48Å; R1232-W1236 HydrophobicContact CG-CH2 4.49Å; R1232-W1236 HydrophobicContact CG-CZ3 4.02Å; S1233-W1236 WeakPolarHBondContact O-CA 3.08Å; S1233-W1236 VanDerWaalsContact O-CB 3.31Å; S1233-W1236 WeakPolarHBondContact O-CB 3.11Å; S1233-W1236 PolarHBondContact O-N 3.13Å; S1233-W1236 PolarHBondContact OG-N 3.25Å; Y1234-W1236 VanDerWaalsContact C-N 3.34Å; W1236-W1239 PolarHBondContact O-N 3.32Å; W1236-S1240 VanDerWaalsContact CH2-OG 3.24Å; W1236-S1240 WeakPolarHBondContact CH2-OG 3.43Å; W1236-S1240 VanDerWaalsContact CZ2-OG 3.26Å; W1236-S1240 WeakPolarHBondContact CZ2-OG 3.14Å; W1236-S1240 VanDerWaalsContact CZ3-OG 3.3Å; W1236-S1240 WeakPolarHBondContact CZ3-OG 3.39Å; W1236-S1240 WeakPolarHBondContact O-CB 3.47Å; W1236-S1240 PolarHBondContact O-N 2.88Å; W1236-S1240 PolarHBondContact O-OG 2.81Å |
| 1237 | E | 80.5 | Confident | 78.2 | Confident | 47 Ų | 47 | 61.2 Ų | 61.2 | 22% | 0.22 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.7 | -48.1 | 172.9 | -68 | 176.3 | -156.5 | 0 | 0 | 111.6 | N1227 I1230 S1233 Y1234 W1239 S1240 V1241 | N1227-E1237 WeakPolarHBondContact CB-OE1 3.49Å; N1227-E1237 PolarHBondContact ND2-OE1 3.19Å; I1230-E1237 HydrophobicContact CD1-CG 3.37Å; I1230-E1237 WeakPolarHBondContact CD1-OE1 3.25Å; I1230-E1237 WeakPolarHBondContact CG1-OE1 3.3Å; S1233-E1237 PolarHBondContact O-N 3.14Å; Y1234-E1237 WeakPolarHBondContact CD1-OE2 3.21Å; Y1234-E1237 WeakPolarHBondContact O-CB 3.36Å; Y1234-E1237 PolarHBondContact O-N 3.14Å; E1237-W1239 VanDerWaalsContact C-N 3.31Å; E1237-W1239 PolarHBondContact O-N 3.23Å; E1237-S1240 PolarHBondContact O-N 3.15Å; E1237-S1240 VanDerWaalsContact O-N 3.12Å; E1237-V1241 VanDerWaalsContact O-CG2 3.25Å; E1237-V1241 WeakPolarHBondContact O-CG2 3.15Å; E1237-V1241 PolarHBondContact O-N 2.81Å |
| 1238 | Q | 85.1 | Confident | 77.8 | Confident | 18 Ų | 18 | 66.3 Ų | 66.3 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57 | -46.2 | 177 | -168.8 | -173.9 | 31.7 | 0 | 0 | 111.4 | Y1234 L1235 V1241 L1242 F1540 L1560 Y1564 | Y1234-Q1238 PolarHBondContact O-N 2.88Å; L1235-Q1238 PolarHBondContact O-N 2.86Å; Q1238-V1241 PolarHBondContact O-N 2.96Å; Q1238-L1242 WeakPolarHBondContact O-CG 3.14Å; Q1238-L1242 PolarHBondContact O-N 3.33Å; Q1238-F1540 HydrophobicContact CG-CD2 3.67Å; Q1238-F1540 HydrophobicContact CG-CE2 3.98Å; Q1238-L1560 HydrophobicContact CB-CD2 4.4Å; Q1238-L1560 HydrophobicContact CG-CD2 4.47Å; Q1238-Y1564 VanDerWaalsContact CD-OH 3.29Å; Q1238-Y1564 PolarHBondContact NE2-OH 3.1Å; Q1238-Y1564 PolarHBondContact OE1-OH 2.83Å |
| 1239 | W | 88.6 | Confident | 77.7 | Confident | 44 Ų | 44 | 61 Ų | 61 | 17% | 0.167 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61 | -44.2 | 175.5 | 175.4 | 85.1 | 0 | 0 | 0 | 112 | L1235 W1236 E1237 L1242 H1243 L1554 A1555 S1556 P1557 L1560 | L1235-W1239 PolarHBondContact O-N 2.94Å; W1236-W1239 PolarHBondContact O-N 3.32Å; E1237-W1239 VanDerWaalsContact C-N 3.31Å; E1237-W1239 PolarHBondContact O-N 3.23Å; W1239-L1242 WeakPolarHBondContact O-CB 3.43Å; W1239-L1242 PolarHBondContact O-N 2.93Å; W1239-H1243 AromaticContact CD1-CE1 3.4Å; W1239-H1243 VanDerWaalsContact CD1-CE1 3.4Å; W1239-H1243 AromaticContact CD1-ND1 3.68Å; W1239-H1243 AromaticContact CD2-ND1 3.82Å; W1239-H1243 AromaticContact CE2-CE1 3.34Å; W1239-H1243 AromaticContact CE2-CG 3.99Å; W1239-H1243 AromaticContact CE2-ND1 3.44Å; W1239-H1243 AromaticContact CE2-NE2 3.81Å; W1239-H1243 AromaticContact CG-ND1 3.95Å; W1239-H1243 AromaticContact CZ2-CD2 3.9Å; W1239-H1243 AromaticContact CZ2-CE1 3.82Å; W1239-H1243 AromaticContact CZ2-CG 3.96Å; W1239-H1243 AromaticContact CZ2-ND1 3.89Å; W1239-H1243 AromaticContact CZ2-NE2 3.83Å; W1239-H1243 AromaticContact NE1-CE1 2.89Å; W1239-H1243 PolarHBondContact NE1-CE1 3.02Å; W1239-H1243 AromaticContact NE1-ND1 3.39Å; W1239-H1243 PolarHBondContact NE1-ND1 2.84Å; W1239-H1243 AromaticContact NE1-NE2 3.57Å; W1239-H1243 PolarHBondContact O-N 3.37Å; W1239-H1243 PolarHBondContact O-ND1 2.95Å; W1239-L1554 PolarHBondContact NE1-O 3.23Å; W1239-A1555 VanDerWaalsContact CZ2-O 3.26Å; W1239-A1555 WeakPolarHBondContact CZ2-O 3.21Å; W1239-S1556 PolarHBondContact NE1-O 2.74Å; W1239-P1557 HydrophobicContact CB-CB 4.31Å; W1239-P1557 HydrophobicContact CD2-CB 4.16Å; W1239-P1557 HydrophobicContact CG-CB 4.03Å; W1239-L1560 HydrophobicContact CB-CD2 3.71Å |
| 1240 | S | 82.4 | Confident | 77.9 | Confident | 12 Ų | 12 | 55 Ų | 55 | 8% | 0.084 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 178.6 | -66.4 | 0 | 0 | 0 | 0 | 111.2 | W1236 E1237 L1242 H1243 L1244 | W1236-S1240 VanDerWaalsContact CH2-OG 3.24Å; W1236-S1240 WeakPolarHBondContact CH2-OG 3.43Å; W1236-S1240 VanDerWaalsContact CZ2-OG 3.26Å; W1236-S1240 WeakPolarHBondContact CZ2-OG 3.14Å; W1236-S1240 VanDerWaalsContact CZ3-OG 3.3Å; W1236-S1240 WeakPolarHBondContact CZ3-OG 3.39Å; W1236-S1240 WeakPolarHBondContact O-CB 3.47Å; W1236-S1240 PolarHBondContact O-N 2.88Å; W1236-S1240 PolarHBondContact O-OG 2.81Å; E1237-S1240 PolarHBondContact O-N 3.15Å; E1237-S1240 VanDerWaalsContact O-N 3.12Å; S1240-L1242 VanDerWaalsContact C-N 3.35Å; S1240-L1242 PolarHBondContact O-N 3.19Å; S1240-H1243 PolarHBondContact O-N 3.47Å; S1240-H1243 VanDerWaalsContact O-N 3.15Å; S1240-L1244 WeakPolarHBondContact O-CB 3.1Å; S1240-L1244 WeakPolarHBondContact O-CG 3.22Å; S1240-L1244 PolarHBondContact O-N 3.26Å |
| 1241 | V | 80.2 | Confident | 77.9 | Confident | 43 Ų | 43 | 53.7 Ų | 53.7 | 26% | 0.261 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 175.9 | 175.8 | 0 | 0 | 0 | 0 | 110.2 | E1237 Q1238 H1243 L1244 Y1245 F1540 | E1237-V1241 VanDerWaalsContact O-CG2 3.25Å; E1237-V1241 WeakPolarHBondContact O-CG2 3.15Å; E1237-V1241 PolarHBondContact O-N 2.81Å; Q1238-V1241 PolarHBondContact O-N 2.96Å; V1241-H1243 VanDerWaalsContact C-N 3.29Å; V1241-H1243 PolarHBondContact O-N 2.84Å; V1241-L1244 PolarHBondContact O-N 2.81Å; V1241-Y1245 HydrophobicContact CB-CD2 4.15Å; V1241-Y1245 HydrophobicContact CB-CE2 4.47Å; V1241-Y1245 HydrophobicContact CG1-CD2 3.51Å; V1241-Y1245 HydrophobicContact CG1-CE2 3.99Å; V1241-Y1245 HydrophobicContact CG2-CE2 4.4Å; V1241-Y1245 WeakPolarHBondContact O-CB 3.46Å; V1241-Y1245 WeakPolarHBondContact O-CD2 3.32Å; V1241-Y1245 PolarHBondContact O-N 3.45Å; V1241-F1540 HydrophobicContact CB-CE2 4.2Å; V1241-F1540 HydrophobicContact CB-CZ 4.26Å; V1241-F1540 HydrophobicContact CG1-CE2 3.92Å; V1241-F1540 HydrophobicContact CG1-CZ 3.65Å |
| 1242 | L | 82.6 | Confident | 77.7 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.5 | -41.6 | 174.6 | -79.1 | 165.5 | 0 | 0 | 0 | 112.5 | Q1238 W1239 S1240 T1246 F1540 I1543 K1544 L1560 | Q1238-L1242 WeakPolarHBondContact O-CG 3.14Å; Q1238-L1242 PolarHBondContact O-N 3.33Å; W1239-L1242 WeakPolarHBondContact O-CB 3.43Å; W1239-L1242 PolarHBondContact O-N 2.93Å; S1240-L1242 VanDerWaalsContact C-N 3.35Å; S1240-L1242 PolarHBondContact O-N 3.19Å; L1242-T1246 WeakPolarHBondContact O-CB 3.48Å; L1242-T1246 PolarHBondContact O-N 3.11Å; L1242-T1246 PolarHBondContact O-OG1 3.12Å; L1242-F1540 HydrophobicContact CB-CE2 4.42Å; L1242-F1540 HydrophobicContact CB-CZ 4.27Å; L1242-F1540 HydrophobicContact CD1-CD2 4.34Å; L1242-F1540 HydrophobicContact CD1-CE2 4.31Å; L1242-F1540 HydrophobicContact CD2-CD1 3.7Å; L1242-F1540 HydrophobicContact CD2-CD2 3.86Å; L1242-F1540 HydrophobicContact CD2-CE1 3.4Å; L1242-F1540 HydrophobicContact CD2-CE2 3.68Å; L1242-F1540 HydrophobicContact CD2-CG 3.87Å; L1242-F1540 HydrophobicContact CD2-CZ 3.4Å; L1242-F1540 VanDerWaalsContact CD2-CZ 3.4Å; L1242-F1540 HydrophobicContact CG-CD2 3.84Å; L1242-F1540 HydrophobicContact CG-CE1 4.08Å; L1242-F1540 HydrophobicContact CG-CE2 3.42Å; L1242-F1540 VanDerWaalsContact CG-CE2 3.42Å; L1242-F1540 HydrophobicContact CG-CG 4.37Å; L1242-F1540 HydrophobicContact CG-CZ 3.52Å; L1242-I1543 HydrophobicContact CD1-CG2 4Å; L1242-I1543 HydrophobicContact CD2-CB 4.34Å; L1242-I1543 HydrophobicContact CD2-CG2 4.07Å; L1242-K1544 HydrophobicContact CD2-CB 4.18Å; L1242-L1560 HydrophobicContact CD1-CD1 4.47Å; L1242-L1560 HydrophobicContact CD1-CD2 4.39Å |
| 1243 | H | 80.3 | Confident | 77.3 | Confident | 47 Ų | 47 | 54.7 Ų | 54.7 | 22% | 0.218 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -76.4 | -41.2 | -178.5 | -76.1 | 66.5 | 0 | 0 | 0 | 112.6 | W1239 S1240 V1241 K1547 L1554 | W1239-H1243 AromaticContact CD1-CE1 3.4Å; W1239-H1243 VanDerWaalsContact CD1-CE1 3.4Å; W1239-H1243 AromaticContact CD1-ND1 3.68Å; W1239-H1243 AromaticContact CD2-ND1 3.82Å; W1239-H1243 AromaticContact CE2-CE1 3.34Å; W1239-H1243 AromaticContact CE2-CG 3.99Å; W1239-H1243 AromaticContact CE2-ND1 3.44Å; W1239-H1243 AromaticContact CE2-NE2 3.81Å; W1239-H1243 AromaticContact CG-ND1 3.95Å; W1239-H1243 AromaticContact CZ2-CD2 3.9Å; W1239-H1243 AromaticContact CZ2-CE1 3.82Å; W1239-H1243 AromaticContact CZ2-CG 3.96Å; W1239-H1243 AromaticContact CZ2-ND1 3.89Å; W1239-H1243 AromaticContact CZ2-NE2 3.83Å; W1239-H1243 AromaticContact NE1-CE1 2.89Å; W1239-H1243 PolarHBondContact NE1-CE1 3.02Å; W1239-H1243 AromaticContact NE1-ND1 3.39Å; W1239-H1243 PolarHBondContact NE1-ND1 2.84Å; W1239-H1243 AromaticContact NE1-NE2 3.57Å; W1239-H1243 PolarHBondContact O-N 3.37Å; W1239-H1243 PolarHBondContact O-ND1 2.95Å; S1240-H1243 PolarHBondContact O-N 3.47Å; S1240-H1243 VanDerWaalsContact O-N 3.15Å; V1241-H1243 VanDerWaalsContact C-N 3.29Å; V1241-H1243 PolarHBondContact O-N 2.84Å; H1243-K1547 PolarHBondContact CD2-NZ 2.98Å; H1243-K1547 PolarHBondContact CE1-NZ 3.14Å; H1243-K1547 VanDerWaalsContact CE1-NZ 3.31Å; H1243-K1547 PolarHBondContact NE2-NZ 3.05Å; H1243-L1554 PolarHBondContact CE1-O 2.86Å; H1243-L1554 PolarHBondContact NE2-O 2.83Å |
| 1244 | L | 72.6 | Confident | 77.1 | Confident | 98 Ų | 98 | 54.8 Ų | 54.8 | 51% | 0.513 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -75.3 | -34.6 | -174.8 | -74.3 | 176.1 | 0 | 0 | 0 | 112.9 | P877 S1240 V1241 | P877-L1244 HydrophobicContact CG-CB 3.65Å; P877-L1244 HydrophobicContact CG-CD1 4.25Å; P877-L1244 HydrophobicContact CG-CD2 3.94Å; P877-L1244 HydrophobicContact CG-CG 4.14Å; S1240-L1244 WeakPolarHBondContact O-CB 3.1Å; S1240-L1244 WeakPolarHBondContact O-CG 3.22Å; S1240-L1244 PolarHBondContact O-N 3.26Å; V1241-L1244 PolarHBondContact O-N 2.81Å |
| 1245 | Y | 71.6 | Confident | 77.2 | Confident | 31 Ų | 31 | 50.4 Ų | 50.4 | 12% | 0.122 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -104.1 | 12 | -177.2 | -62.8 | -75.8 | 0 | 0 | 0 | 114 | P877 F1202 V1241 K1544 | P877-Y1245 HydrophobicContact CB-CE1 4.4Å; P877-Y1245 HydrophobicContact CG-CE1 4.45Å; F1202-Y1245 AromaticContact CZ-CD1 4Å; F1202-Y1245 HydrophobicContact CZ-CD1 4Å; F1202-Y1245 HydrophobicContact CZ-CE1 4.41Å; V1241-Y1245 HydrophobicContact CB-CD2 4.15Å; V1241-Y1245 HydrophobicContact CB-CE2 4.47Å; V1241-Y1245 HydrophobicContact CG1-CD2 3.51Å; V1241-Y1245 HydrophobicContact CG1-CE2 3.99Å; V1241-Y1245 HydrophobicContact CG2-CE2 4.4Å; V1241-Y1245 WeakPolarHBondContact O-CB 3.46Å; V1241-Y1245 WeakPolarHBondContact O-CD2 3.32Å; V1241-Y1245 PolarHBondContact O-N 3.45Å; Y1245-K1544 WeakPolarHBondContact O-CE 3.48Å; Y1245-K1544 PolarHBondContact O-NZ 2.95Å |
| 1246 | T | 74.7 | Confident | 77 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 4% | 0.037 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -85 | 117.7 | 163.7 | -65.1 | 0 | 0 | 0 | 0 | 108.2 | L1242 K1547 I1548 | L1242-T1246 WeakPolarHBondContact O-CB 3.48Å; L1242-T1246 PolarHBondContact O-N 3.11Å; L1242-T1246 PolarHBondContact O-OG1 3.12Å; T1246-K1547 HydrophobicContact CG2-CB 4.22Å; T1246-I1548 HydrophobicContact CG2-CG1 3.88Å |
| 1247 | P | 68.5 | Low | 77.1 | Confident | 63 Ų | 63 | 54.3 Ų | 54.3 | 41% | 0.409 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 145.3 | -174.7 | 21.4 | -31.4 | 0 | 0 | 0 | 112.7 | I1548 | P1247-I1548 HydrophobicContact CG-CG1 4.46Š|
| 1248 | L | 63.8 | Low | 77.5 | Confident | 135 Ų | 135 | 52.1 Ų | 52.1 | 71% | 0.707 | 27% | 0.266 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 145.5 | 175.1 | -67.5 | 170.9 | 0 | 0 | 0 | 111 | K1551 | L1248-K1551 HydrophobicContact CD2-CD 4.3Š|
| 1249 | F | 68.3 | Low | 77.7 | Confident | 24 Ų | 24 | 54.2 Ų | 54.2 | 11% | 0.105 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 132.7 | 172.4 | -60.7 | -51.5 | 0 | 0 | 0 | 110.7 | T1251 E1254 L1255 I1548 K1551 | F1249-T1251 PolarHBondContact O-N 3.15Å; F1249-T1251 VanDerWaalsContact O-N 3.11Å; F1249-E1254 VanDerWaalsContact CD1-OE2 3.24Å; F1249-E1254 WeakPolarHBondContact CD1-OE2 3.33Å; F1249-L1255 HydrophobicContact CB-CD1 4.08Å; F1249-L1255 HydrophobicContact CB-CG 4.45Å; F1249-L1255 HydrophobicContact CD2-CD1 4.24Å; F1249-L1255 HydrophobicContact CG-CD1 4.44Å; F1249-I1548 VanDerWaalsContact CE1-O 3.23Å; F1249-I1548 WeakPolarHBondContact CE1-O 3.34Å; F1249-K1551 HydrophobicContact CE2-CB 4.36Å |
| 1250 | D | 68.4 | Low | 77.7 | Confident | 63 Ų | 63 | 55.6 Ų | 55.6 | 34% | 0.337 | 29% | 0.288 | S | S | . | . | trans | -73.1 | 99 | 162.9 | -177.6 | -11.3 | 0 | 0 | 0 | 107.4 | N1252 K1253 E1254 | D1250-N1252 PolarHBondContact O-N 2.44Å; D1250-N1252 VanDerWaalsContact O-N 3.09Å; D1250-N1252 WeakPolarHBondContact OD1-CB 3.39Å; D1250-N1252 PolarHBondContact OD1-N 2.58Å; D1250-N1252 VanDerWaalsContact OD1-N 3.1Å; D1250-K1253 HydrophobicContact CB-CB 4.26Å; D1250-K1253 PolarHBondContact O-N 2.87Å; D1250-K1253 WeakPolarHBondContact OD2-CD 3.35Å; D1250-K1253 WeakPolarHBondContact OD2-CE 3.38Å; D1250-K1253 WeakPolarHBondContact OD2-CG 3.24Å; D1250-K1253 IonicContact OD2-NZ 2.82Å; D1250-K1253 PolarHBondContact OD2-NZ 2.89Å; D1250-E1254 PolarHBondContact O-N 2.88Å | ||
| 1251 | T | 71.1 | Confident | 77.9 | Confident | 53 Ų | 53 | 59.5 Ų | 59.5 | 33% | 0.325 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -53.4 | -33.4 | -177.9 | 52.6 | 0 | 0 | 0 | 0 | 112 | F1249 K1253 L1255 I1273 | F1249-T1251 PolarHBondContact O-N 3.15Å; F1249-T1251 VanDerWaalsContact O-N 3.11Å; T1251-K1253 VanDerWaalsContact C-N 3.3Å; T1251-K1253 PolarHBondContact O-N 3.05Å; T1251-L1255 HydrophobicContact CG2-CD1 4.36Å; T1251-I1273 HydrophobicContact CG2-CD1 3.93Å; T1251-I1273 HydrophobicContact CG2-CG2 4.2Å |
| 1252 | N | 71.7 | Confident | 78.2 | Confident | 118 Ų | 118 | 58.6 Ų | 58.6 | 63% | 0.631 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -79.7 | -7.8 | -178.3 | -65.9 | -29 | 0 | 0 | 0 | 113.4 | D1250 Q1256 | D1250-N1252 PolarHBondContact O-N 2.44Å; D1250-N1252 VanDerWaalsContact O-N 3.09Å; D1250-N1252 WeakPolarHBondContact OD1-CB 3.39Å; D1250-N1252 PolarHBondContact OD1-N 2.58Å; D1250-N1252 VanDerWaalsContact OD1-N 3.1Å; N1252-Q1256 WeakPolarHBondContact O-CG 3.07Å; N1252-Q1256 PolarHBondContact O-NE2 3.22Å |
| 1253 | K | 72.3 | Confident | 78.5 | Confident | 149 Ų | 149 | 58.6 Ų | 58.6 | 65% | 0.648 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -122.2 | -41.9 | 177 | -68.6 | -177.5 | -169.4 | 156.6 | 0 | 112.6 | D1250 T1251 | D1250-K1253 HydrophobicContact CB-CB 4.26Å; D1250-K1253 PolarHBondContact O-N 2.87Å; D1250-K1253 WeakPolarHBondContact OD2-CD 3.35Å; D1250-K1253 WeakPolarHBondContact OD2-CE 3.38Å; D1250-K1253 WeakPolarHBondContact OD2-CG 3.24Å; D1250-K1253 IonicContact OD2-NZ 2.82Å; D1250-K1253 PolarHBondContact OD2-NZ 2.89Å; T1251-K1253 VanDerWaalsContact C-N 3.3Å; T1251-K1253 PolarHBondContact O-N 3.05Å |
| 1254 | E | 79.2 | Confident | 79 | Confident | 25 Ų | 25 | 59.7 Ų | 59.7 | 12% | 0.117 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -95.7 | -17.8 | -169.1 | -64.5 | -163.1 | 179.3 | 0 | 0 | 113.4 | F1249 D1250 S1278 E1279 R1280 | F1249-E1254 VanDerWaalsContact CD1-OE2 3.24Å; F1249-E1254 WeakPolarHBondContact CD1-OE2 3.33Å; D1250-E1254 PolarHBondContact O-N 2.88Å; E1254-S1278 CarbonylContact O-C 3.59Å; E1254-S1278 PolarHBondContact OE2-OG 3.11Å; E1254-E1279 WeakPolarHBondContact O-CB 3.29Å; E1254-E1279 PolarHBondContact O-N 2.83Å; E1254-R1280 IonicContact OE1-CZ 2.62Å; E1254-R1280 IonicContact OE1-NE 3.92Å; E1254-R1280 PolarHBondContact OE1-NE 3.47Å; E1254-R1280 IonicContact OE1-NH2 3.83Å; E1254-R1280 PolarHBondContact OE1-NH2 2.7Å |
| 1255 | L | 85.4 | Confident | 79.8 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -122.2 | 9.4 | -176.3 | -60.7 | 176.1 | 0 | 0 | 0 | 113.3 | F1249 T1251 V1257 A1258 L1259 I1273 L1276 P1277 | F1249-L1255 HydrophobicContact CB-CD1 4.08Å; F1249-L1255 HydrophobicContact CB-CG 4.45Å; F1249-L1255 HydrophobicContact CD2-CD1 4.24Å; F1249-L1255 HydrophobicContact CG-CD1 4.44Å; T1251-L1255 HydrophobicContact CG2-CD1 4.36Å; L1255-V1257 VanDerWaalsContact C-N 3.3Å; L1255-V1257 PolarHBondContact O-N 2.81Å; L1255-A1258 PolarHBondContact O-N 2.78Å; L1255-L1259 HydrophobicContact CB-CD1 3.97Å; L1255-L1259 HydrophobicContact CB-CG 4.28Å; L1255-L1259 WeakPolarHBondContact O-CB 3.2Å; L1255-L1259 WeakPolarHBondContact O-CG 3.21Å; L1255-L1259 PolarHBondContact O-N 3.22Å; L1255-I1273 HydrophobicContact CD1-CB 4.48Å; L1255-I1273 HydrophobicContact CD1-CG2 3.22Å; L1255-L1276 HydrophobicContact CD2-CB 3.91Å; L1255-P1277 WeakPolarHBondContact CD2-O 3.41Å |
| 1256 | Q | 84 | Confident | 80.8 | Confident | 126 Ų | 126 | 57.9 Ų | 57.9 | 59% | 0.589 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -43.8 | -178.9 | -68 | -168.9 | -29.5 | 0 | 0 | 112.8 | N1252 N1260 | N1252-Q1256 WeakPolarHBondContact O-CG 3.07Å; N1252-Q1256 PolarHBondContact O-NE2 3.22Å; Q1256-N1260 PolarHBondContact O-N 3.21Å; Q1256-N1260 VanDerWaalsContact O-N 3.08Å |
| 1257 | V | 87.8 | Confident | 81.6 | Confident | 35 Ų | 35 | 57.9 Ų | 57.9 | 21% | 0.212 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -42.9 | -179.4 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | L1255 L1259 N1260 N1263 E1279 Y1307 | L1255-V1257 VanDerWaalsContact C-N 3.3Å; L1255-V1257 PolarHBondContact O-N 2.81Å; V1257-L1259 VanDerWaalsContact C-N 3.31Å; V1257-L1259 PolarHBondContact O-N 3.38Å; V1257-N1260 WeakPolarHBondContact O-CB 3.38Å; V1257-N1260 PolarHBondContact O-N 3.06Å; V1257-N1263 WeakPolarHBondContact O-CB 3.26Å; V1257-N1263 PolarHBondContact O-ND2 2.97Å; V1257-E1279 VanDerWaalsContact CB-OE2 3.3Å; V1257-E1279 WeakPolarHBondContact CB-OE2 3.36Å; V1257-E1279 WeakPolarHBondContact CG2-OE2 3.37Å; V1257-Y1307 HydrophobicContact CG1-CD2 3.95Å; V1257-Y1307 HydrophobicContact CG1-CG 4.36Å |
| 1258 | A | 89.1 | Confident | 82.9 | Confident | 2 Ų | 2 | 56 Ų | 56 | 2% | 0.017 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -37.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1255 N1267 L1276 Y1307 | L1255-A1258 PolarHBondContact O-N 2.78Å; A1258-N1267 PolarHBondContact O-ND2 3.41Å; A1258-L1276 HydrophobicContact CB-CB 4.39Å; A1258-L1276 HydrophobicContact CB-CD1 4.35Å; A1258-Y1307 HydrophobicContact CB-CE2 3.71Å; A1258-Y1307 WeakPolarHBondContact CB-OH 3.11Å |
| 1259 | L | 89.5 | Confident | 84.2 | Confident | 61 Ų | 61 | 52.2 Ų | 52.2 | 32% | 0.319 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 1.5 | -179.2 | -64.3 | 174.9 | 0 | 0 | 0 | 113.8 | L1255 V1257 S1261 L1264 L1276 | L1255-L1259 HydrophobicContact CB-CD1 3.97Å; L1255-L1259 HydrophobicContact CB-CG 4.28Å; L1255-L1259 WeakPolarHBondContact O-CB 3.2Å; L1255-L1259 WeakPolarHBondContact O-CG 3.21Å; L1255-L1259 PolarHBondContact O-N 3.22Å; V1257-L1259 VanDerWaalsContact C-N 3.31Å; V1257-L1259 PolarHBondContact O-N 3.38Å; L1259-S1261 PolarHBondContact O-N 3.08Å; L1259-L1264 HydrophobicContact CD2-CD2 4.29Å; L1259-L1276 HydrophobicContact CD2-CD1 3.55Å; L1259-L1276 HydrophobicContact CG-CD1 4.08Å |
| 1260 | N | 88.2 | Confident | 85.2 | Confident | 73 Ų | 73 | 53.1 Ų | 53.1 | 39% | 0.39 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -59.5 | 138.7 | 172.7 | -172.5 | -43.1 | 0 | 0 | 0 | 109.5 | Q1256 V1257 L1262 N1263 L1264 | Q1256-N1260 PolarHBondContact O-N 3.21Å; Q1256-N1260 VanDerWaalsContact O-N 3.08Å; V1257-N1260 WeakPolarHBondContact O-CB 3.38Å; V1257-N1260 PolarHBondContact O-N 3.06Å; N1260-L1262 PolarHBondContact O-N 3.29Å; N1260-L1262 VanDerWaalsContact O-N 3.08Å; N1260-L1262 PolarHBondContact OD1-N 2.81Å; N1260-N1263 WeakPolarHBondContact O-CA 3.3Å; N1260-N1263 PolarHBondContact O-N 2.87Å; N1260-L1264 PolarHBondContact O-N 2.88Å |
| 1261 | S | 86 | Confident | 86.1 | Confident | 94 Ų | 94 | 58.9 Ų | 58.9 | 66% | 0.657 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -32.6 | 180 | 54.6 | 0 | 0 | 0 | 0 | 113.4 | L1259 N1263 | L1259-S1261 PolarHBondContact O-N 3.08Å; S1261-N1263 VanDerWaalsContact C-N 3.25Å; S1261-N1263 PolarHBondContact O-N 2.81Å |
| 1262 | L | 86.3 | Confident | 86.9 | Confident | 24 Ų | 24 | 60.3 Ų | 60.3 | 13% | 0.126 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -24.5 | 174.5 | -170.5 | 70.5 | 0 | 0 | 0 | 113.4 | N1260 H1265 T1291 Q1303 | N1260-L1262 PolarHBondContact O-N 3.29Å; N1260-L1262 VanDerWaalsContact O-N 3.08Å; N1260-L1262 PolarHBondContact OD1-N 2.81Å; L1262-H1265 PolarHBondContact O-CE1 2.85Å; L1262-H1265 PolarHBondContact O-ND1 2.85Å; L1262-T1291 WeakPolarHBondContact CD1-OG1 3.2Å; L1262-Q1303 HydrophobicContact CD1-CB 4.05Å; L1262-Q1303 HydrophobicContact CD2-CB 4.15Å |
| 1263 | N | 90.9 | Very high | 87.7 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -12.4 | -171.9 | -68.2 | -29.9 | 0 | 0 | 0 | 113.9 | V1257 N1260 S1261 H1265 K1266 S1305 Y1307 | V1257-N1263 WeakPolarHBondContact O-CB 3.26Å; V1257-N1263 PolarHBondContact O-ND2 2.97Å; N1260-N1263 WeakPolarHBondContact O-CA 3.3Å; N1260-N1263 PolarHBondContact O-N 2.87Å; S1261-N1263 VanDerWaalsContact C-N 3.25Å; S1261-N1263 PolarHBondContact O-N 2.81Å; N1263-H1265 VanDerWaalsContact C-N 3.26Å; N1263-H1265 PolarHBondContact O-N 3.26Å; N1263-K1266 WeakPolarHBondContact O-CA 3.34Å; N1263-K1266 VanDerWaalsContact O-CB 3.32Å; N1263-K1266 WeakPolarHBondContact O-CB 3.42Å; N1263-K1266 PolarHBondContact O-N 2.8Å; N1263-S1305 WeakPolarHBondContact OD1-CB 3.45Å; N1263-S1305 PolarHBondContact OD1-OG 3.34Å; N1263-Y1307 HydrophobicContact CB-CD1 3.58Å; N1263-Y1307 HydrophobicContact CB-CE1 4.09Å; N1263-Y1307 HydrophobicContact CB-CG 4.07Å; N1263-Y1307 WeakPolarHBondContact ND2-CB 3.39Å |
| 1264 | L | 90.1 | Very high | 88.3 | Confident | 70 Ų | 70 | 53 Ų | 53 | 37% | 0.366 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -52.8 | -42.8 | -179.4 | -76.8 | 172.2 | 0 | 0 | 0 | 112.6 | L1259 N1260 K1266 N1267 P1270 | L1259-L1264 HydrophobicContact CD2-CD2 4.29Å; N1260-L1264 PolarHBondContact O-N 2.88Å; L1264-K1266 PolarHBondContact O-N 3.03Å; L1264-N1267 PolarHBondContact O-N 3.03Å; L1264-N1267 VanDerWaalsContact O-N 3.15Å; L1264-P1270 HydrophobicContact CD2-CB 3.93Å |
| 1265 | H | 88.5 | Confident | 88.9 | Confident | 86 Ų | 86 | 52.1 Ų | 52.1 | 40% | 0.398 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -72.2 | -7.2 | 179.2 | 66.6 | -97.4 | 0 | 0 | 0 | 114.4 | L1262 N1263 N1331 | L1262-H1265 PolarHBondContact O-CE1 2.85Å; L1262-H1265 PolarHBondContact O-ND1 2.85Å; N1263-H1265 VanDerWaalsContact C-N 3.26Å; N1263-H1265 PolarHBondContact O-N 3.26Å; H1265-N1331 PolarHBondContact CD2-ND2 3.06Å; H1265-N1331 PolarHBondContact O-ND2 3.07Å |
| 1266 | K | 92.3 | Very high | 89.1 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.017 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -90.8 | -7.7 | 174 | -54.6 | -168.5 | -177.9 | -157.5 | 0 | 111.9 | N1263 L1264 T1289 Y1307 Q1326 T1332 E1335 | N1263-K1266 WeakPolarHBondContact O-CA 3.34Å; N1263-K1266 VanDerWaalsContact O-CB 3.32Å; N1263-K1266 WeakPolarHBondContact O-CB 3.42Å; N1263-K1266 PolarHBondContact O-N 2.8Å; L1264-K1266 PolarHBondContact O-N 3.03Å; K1266-T1289 PolarHBondContact NZ-OG1 2.86Å; K1266-Y1307 HydrophobicContact CB-CD1 4.08Å; K1266-Y1307 HydrophobicContact CB-CE1 4.14Å; K1266-Y1307 HydrophobicContact CD-CD1 4.2Å; K1266-Y1307 WeakPolarHBondContact CD-O 3.3Å; K1266-Q1326 PolarHBondContact O-NE2 2.65Å; K1266-T1332 HydrophobicContact CB-CG2 3.87Å; K1266-T1332 HydrophobicContact CD-CG2 4.46Å; K1266-T1332 HydrophobicContact CG-CG2 4.04Å; K1266-E1335 IonicContact NZ-OE1 2.68Å; K1266-E1335 PolarHBondContact NZ-OE1 3.45Å |
| 1267 | N | 93.2 | Very high | 89.4 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | trans | -100.8 | 128.3 | 176.4 | -59.7 | -41.8 | 0 | 0 | 0 | 109.7 | A1258 L1264 Y1269 P1270 L1276 Y1307 | A1258-N1267 PolarHBondContact O-ND2 3.41Å; L1264-N1267 PolarHBondContact O-N 3.03Å; L1264-N1267 VanDerWaalsContact O-N 3.15Å; N1267-Y1269 VanDerWaalsContact C-N 3.34Å; N1267-P1270 HydrophobicContact CB-CB 4.09Å; N1267-L1276 HydrophobicContact CB-CD2 3.91Å; N1267-Y1307 VanDerWaalsContact OD1-CE1 3.23Å; N1267-Y1307 WeakPolarHBondContact OD1-CE1 3.46Å; N1267-Y1307 VanDerWaalsContact OD1-CZ 3.31Å; N1267-Y1307 PolarHBondContact OD1-OH 3.46Å | ||
| 1268 | R | 93.9 | Very high | 89.1 | Confident | 24 Ų | 24 | 44.5 Ų | 44.5 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -66.6 | -37.4 | 176.6 | -169.2 | 179.9 | -54.2 | -67.4 | 0.9 | 112.3 | T1327 P1328 L1329 E1359 E1360 L1512 | R1268-T1327 PolarHBondContact NH2-O 2.6Å; R1268-P1328 PolarHBondContact NH2-O 2.8Å; R1268-L1329 HydrophobicContact CB-CD2 4.42Å; R1268-E1359 PolarHBondContact NH1-O 3.24Å; R1268-E1360 PolarHBondContact NH1-O 3.08Å; R1268-E1360 VanDerWaalsContact NH1-O 3.16Å; R1268-L1512 PolarHBondContact NE-O 2.98Å |
| 1269 | Y | 93.1 | Very high | 88.8 | Confident | 54 Ų | 54 | 46.4 Ų | 46.4 | 21% | 0.212 | 24% | 0.24 | C | C | . | . | trans | -130 | 77.2 | 177.7 | -43.2 | -84.2 | 0 | 0 | 0 | 110.2 | N1267 E1271 I1272 L1275 E1359 N1513 | N1267-Y1269 VanDerWaalsContact C-N 3.34Å; Y1269-E1271 PolarHBondContact O-N 2.73Å; Y1269-I1272 HydrophobicContact CD1-CD1 4.49Å; Y1269-I1272 HydrophobicContact CG-CD1 4.29Å; Y1269-I1272 PolarHBondContact O-N 2.83Å; Y1269-L1275 HydrophobicContact CD2-CD1 3.54Å; Y1269-L1275 HydrophobicContact CE2-CD1 4.29Å; Y1269-L1275 HydrophobicContact CG-CD1 4.03Å; Y1269-E1359 WeakPolarHBondContact CE1-OE2 3.28Å; Y1269-E1359 VanDerWaalsContact CZ-OE2 3.26Å; Y1269-E1359 PolarHBondContact OH-OE2 3.1Å; Y1269-N1513 HydrophobicContact CD2-CB 4.13Å; Y1269-N1513 HydrophobicContact CE2-CB 3.51Å | ||
| 1270 | P | 88.7 | Confident | 88.3 | Confident | 43 Ų | 43 | 49.4 Ų | 49.4 | 28% | 0.279 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -24.5 | -176.5 | 25.2 | -32.6 | 0 | 0 | 0 | 113.2 | L1264 N1267 | L1264-P1270 HydrophobicContact CD2-CB 3.93Å; N1267-P1270 HydrophobicContact CB-CB 4.09Å |
| 1271 | E | 86.7 | Confident | 88.2 | Confident | 184 Ų | 184 | 47.8 Ų | 47.8 | 86% | 0.86 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -20.7 | -179.7 | -58.7 | -173.3 | 174.3 | 0 | 0 | 113.3 | Y1269 I1273 | Y1269-E1271 PolarHBondContact O-N 2.73Å; E1271-I1273 PolarHBondContact O-N 2.82Å |
| 1272 | I | 88.9 | Confident | 88.4 | Confident | 83 Ų | 83 | 43.9 Ų | 43.9 | 43% | 0.426 | 21% | 0.206 | S | C | . | . | trans | -94.1 | 85 | 179.7 | -51.5 | 177.6 | 0 | 0 | 0 | 108.7 | Y1269 D1274 L1275 | Y1269-I1272 HydrophobicContact CD1-CD1 4.49Å; Y1269-I1272 HydrophobicContact CG-CD1 4.29Å; Y1269-I1272 PolarHBondContact O-N 2.83Å; I1272-D1274 PolarHBondContact O-N 2.89Å; I1272-D1274 VanDerWaalsContact O-N 3.1Å; I1272-L1275 HydrophobicContact CB-CD1 3.91Å; I1272-L1275 HydrophobicContact CB-CG 4.22Å; I1272-L1275 HydrophobicContact CD1-CD1 4.1Å; I1272-L1275 HydrophobicContact CG2-CD1 3.85Å; I1272-L1275 HydrophobicContact CG2-CG 3.78Å; I1272-L1275 WeakPolarHBondContact O-CB 3.36Å; I1272-L1275 PolarHBondContact O-N 2.97Å | ||
| 1273 | I | 87 | Confident | 88.7 | Confident | 66 Ų | 66 | 42.8 Ų | 42.8 | 34% | 0.338 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -50.8 | -37.2 | -176.4 | -61.1 | 178.3 | 0 | 0 | 0 | 112.5 | T1251 L1255 E1271 L1275 L1276 | T1251-I1273 HydrophobicContact CG2-CD1 3.93Å; T1251-I1273 HydrophobicContact CG2-CG2 4.2Å; L1255-I1273 HydrophobicContact CD1-CB 4.48Å; L1255-I1273 HydrophobicContact CD1-CG2 3.22Å; E1271-I1273 PolarHBondContact O-N 2.82Å; I1273-L1275 PolarHBondContact O-N 3.28Å; I1273-L1275 VanDerWaalsContact O-N 3.13Å; I1273-L1276 PolarHBondContact O-N 3.37Å |
| 1274 | D | 86.6 | Confident | 88.7 | Confident | 47 Ų | 47 | 47.4 Ų | 47.4 | 25% | 0.251 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -67.3 | -10.9 | -178.8 | -73.3 | -10.5 | 0 | 0 | 0 | 114 | I1272 K1551 S1552 | I1272-D1274 PolarHBondContact O-N 2.89Å; I1272-D1274 VanDerWaalsContact O-N 3.1Å; D1274-K1551 HydrophobicContact CB-CB 3.96Å; D1274-K1551 HydrophobicContact CB-CG 4.35Å; D1274-K1551 VanDerWaalsContact CG-NZ 3.28Å; D1274-K1551 PolarHBondContact O-N 3.12Å; D1274-K1551 WeakPolarHBondContact OD1-CD 3.37Å; D1274-K1551 IonicContact OD1-NZ 3.01Å; D1274-K1551 PolarHBondContact OD1-NZ 3.06Å; D1274-K1551 IonicContact OD2-NZ 3.12Å; D1274-K1551 PolarHBondContact OD2-NZ 3.28Å; D1274-S1552 VanDerWaalsContact CB-OG 3.27Å; D1274-S1552 WeakPolarHBondContact CB-OG 3.39Å; D1274-S1552 PolarHBondContact O-N 3.33Å; D1274-S1552 PolarHBondContact O-OG 3.43Å |
| 1275 | L | 90.4 | Very high | 88.5 | Confident | 8 Ų | 8 | 44.3 Ų | 44.3 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -93.3 | -18.1 | 173.5 | -64.7 | 176.6 | 0 | 0 | 0 | 113.5 | Y1269 I1272 I1273 N1513 A1515 R1550 | Y1269-L1275 HydrophobicContact CD2-CD1 3.54Å; Y1269-L1275 HydrophobicContact CE2-CD1 4.29Å; Y1269-L1275 HydrophobicContact CG-CD1 4.03Å; I1272-L1275 HydrophobicContact CB-CD1 3.91Å; I1272-L1275 HydrophobicContact CB-CG 4.22Å; I1272-L1275 HydrophobicContact CD1-CD1 4.1Å; I1272-L1275 HydrophobicContact CG2-CD1 3.85Å; I1272-L1275 HydrophobicContact CG2-CG 3.78Å; I1272-L1275 WeakPolarHBondContact O-CB 3.36Å; I1272-L1275 PolarHBondContact O-N 2.97Å; I1273-L1275 PolarHBondContact O-N 3.28Å; I1273-L1275 VanDerWaalsContact O-N 3.13Å; L1275-N1513 HydrophobicContact CD1-CB 4.11Å; L1275-N1513 HydrophobicContact CD2-CB 4.18Å; L1275-A1515 HydrophobicContact CD2-CB 3.34Å; L1275-R1550 PolarHBondContact O-NE 2.98Å; L1275-R1550 VanDerWaalsContact O-NE 3.14Å |
| 1276 | L | 90.9 | Very high | 88 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -78 | 148.3 | -177 | -58.2 | -178.2 | 0 | 0 | 0 | 111 | L1255 A1258 L1259 N1267 I1273 | L1255-L1276 HydrophobicContact CD2-CB 3.91Å; A1258-L1276 HydrophobicContact CB-CB 4.39Å; A1258-L1276 HydrophobicContact CB-CD1 4.35Å; L1259-L1276 HydrophobicContact CD2-CD1 3.55Å; L1259-L1276 HydrophobicContact CG-CD1 4.08Å; N1267-L1276 HydrophobicContact CB-CD2 3.91Å; I1273-L1276 PolarHBondContact O-N 3.37Å |
| 1277 | P | 89.3 | Confident | 87 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -82.1 | 128.9 | 179.5 | 33.5 | -28.4 | 0 | 0 | 0 | 109.5 | L1255 R1282 Y1307 N1309 L1311 | L1255-P1277 WeakPolarHBondContact CD2-O 3.41Å; P1277-R1282 HydrophobicContact CB-CB 4.05Å; P1277-R1282 HydrophobicContact CG-CB 4.25Å; P1277-Y1307 WeakPolarHBondContact CD-OH 3.42Å; P1277-Y1307 HydrophobicContact CG-CE2 3.96Å; P1277-N1309 VanDerWaalsContact CD-OD1 3.31Å; P1277-N1309 WeakPolarHBondContact CD-OD1 3.37Å; P1277-L1311 HydrophobicContact CB-CB 4.05Å; P1277-L1311 HydrophobicContact CB-CD2 4.27Å |
| 1278 | S | 82.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 141.8 | 170.4 | 168.7 | 0 | 0 | 0 | 0 | 110.4 | E1254 R1280 W1281 R1282 | E1254-S1278 CarbonylContact O-C 3.59Å; E1254-S1278 PolarHBondContact OE2-OG 3.11Å; S1278-R1280 PolarHBondContact O-N 3.32Å; S1278-W1281 PolarHBondContact O-N 2.94Å; S1278-R1282 PolarHBondContact O-N 3.35Å; S1278-R1282 VanDerWaalsContact O-N 3.12Å |
| 1279 | E | 81.4 | Confident | 84 | Confident | 41 Ų | 41 | 54.1 Ų | 54.1 | 19% | 0.192 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -29.7 | -177.6 | -172.6 | 59.4 | -148.4 | 0 | 0 | 111.8 | E1254 V1257 W1281 R1282 R1284 | E1254-E1279 WeakPolarHBondContact O-CB 3.29Å; E1254-E1279 PolarHBondContact O-N 2.83Å; V1257-E1279 VanDerWaalsContact CB-OE2 3.3Å; V1257-E1279 WeakPolarHBondContact CB-OE2 3.36Å; V1257-E1279 WeakPolarHBondContact CG2-OE2 3.37Å; E1279-W1281 PolarHBondContact O-N 3.42Å; E1279-R1282 IonicContact OE1-CZ 3.71Å; E1279-R1282 VanDerWaalsContact OE1-CZ 3.29Å; E1279-R1282 IonicContact OE1-NE 3.25Å; E1279-R1282 PolarHBondContact OE1-NE 3.18Å; E1279-R1282 IonicContact OE1-NH2 3.92Å; E1279-R1282 PolarHBondContact OE1-NH2 2.77Å; E1279-R1282 WeakPolarHBondContact OE2-CD 3.22Å; E1279-R1282 IonicContact OE2-CZ 2.63Å; E1279-R1282 IonicContact OE2-NE 3.97Å; E1279-R1282 PolarHBondContact OE2-NE 3.19Å; E1279-R1282 IonicContact OE2-NH2 2.69Å; E1279-R1284 PolarHBondContact O-NH2 3.44Å; E1279-R1284 IonicContact OE1-CZ 2.69Å; E1279-R1284 IonicContact OE1-NE 3.85Å; E1279-R1284 IonicContact OE1-NH2 3.82Å; E1279-R1284 PolarHBondContact OE1-NH2 3.27Å |
| 1280 | R | 78.6 | Confident | 82.1 | Confident | 124 Ų | 124 | 55.7 Ų | 55.7 | 47% | 0.468 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -36.4 | -179.5 | -59.5 | -178.2 | -167.3 | -168.1 | 3.9 | 113.4 | E1254 S1278 | E1254-R1280 IonicContact OE1-CZ 2.62Å; E1254-R1280 IonicContact OE1-NE 3.92Å; E1254-R1280 PolarHBondContact OE1-NE 3.47Å; E1254-R1280 IonicContact OE1-NH2 3.83Å; E1254-R1280 PolarHBondContact OE1-NH2 2.7Å; S1278-R1280 PolarHBondContact O-N 3.32Å |
| 1281 | W | 86.6 | Confident | 80.1 | Confident | 40 Ų | 40 | 55.9 Ų | 55.9 | 15% | 0.152 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | 1.5 | -171.2 | -57.5 | -77.4 | 0 | 0 | 0 | 113.8 | S1278 E1279 L1311 Y1312 I1548 R1549 | S1278-W1281 PolarHBondContact O-N 2.94Å; E1279-W1281 PolarHBondContact O-N 3.42Å; W1281-L1311 HydrophobicContact CB-CB 4.39Å; W1281-L1311 CarbonylContact O-C 3.39Å; W1281-L1311 WeakPolarHBondContact O-CA 3.49Å; W1281-L1311 WeakPolarHBondContact O-CB 3.29Å; W1281-Y1312 PolarHBondContact O-N 3.39Å; W1281-I1548 HydrophobicContact CH2-CG2 3.53Å; W1281-I1548 HydrophobicContact CZ2-CG2 4.17Å; W1281-I1548 HydrophobicContact CZ3-CG2 4.08Å; W1281-R1549 HydrophobicContact CB-CG 4.42Å; W1281-R1549 VanDerWaalsContact CD1-CZ 3.48Å; W1281-R1549 HydrophobicContact CD2-CB 4.29Å; W1281-R1549 HydrophobicContact CD2-CG 3.68Å; W1281-R1549 HydrophobicContact CE3-CB 4.28Å; W1281-R1549 HydrophobicContact CE3-CG 4.06Å; W1281-R1549 HydrophobicContact CG-CB 4.4Å; W1281-R1549 HydrophobicContact CG-CG 3.82Å |
| 1282 | R | 91.3 | Very high | 78 | Confident | 12 Ų | 12 | 52.7 Ų | 52.7 | 5% | 0.045 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 147.2 | 178.8 | 75.2 | 171.7 | 179.7 | 96.7 | -2 | 111.8 | P1277 S1278 E1279 R1284 N1306 A1310 | P1277-R1282 HydrophobicContact CB-CB 4.05Å; P1277-R1282 HydrophobicContact CG-CB 4.25Å; S1278-R1282 PolarHBondContact O-N 3.35Å; S1278-R1282 VanDerWaalsContact O-N 3.12Å; E1279-R1282 IonicContact OE1-CZ 3.71Å; E1279-R1282 VanDerWaalsContact OE1-CZ 3.29Å; E1279-R1282 IonicContact OE1-NE 3.25Å; E1279-R1282 PolarHBondContact OE1-NE 3.18Å; E1279-R1282 IonicContact OE1-NH2 3.92Å; E1279-R1282 PolarHBondContact OE1-NH2 2.77Å; E1279-R1282 WeakPolarHBondContact OE2-CD 3.22Å; E1279-R1282 IonicContact OE2-CZ 2.63Å; E1279-R1282 IonicContact OE2-NE 3.97Å; E1279-R1282 PolarHBondContact OE2-NE 3.19Å; E1279-R1282 IonicContact OE2-NH2 2.69Å; R1282-R1284 HydrophobicContact CG-CG 4.36Å; R1282-N1306 PolarHBondContact NH1-OD1 3.42Å; R1282-N1306 VanDerWaalsContact NH1-OD1 3.11Å; R1282-N1306 PolarHBondContact NH2-OD1 3.48Å; R1282-A1310 WeakPolarHBondContact CA-O 3.27Å |
| 1283 | V | 91.9 | Very high | 75.7 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 135.5 | 167.1 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | L1285 I1308 A1310 Y1312 I1323 M1339 | V1283-L1285 HydrophobicContact CG1-CD2 4.4Å; V1283-I1308 HydrophobicContact CB-CG2 4.15Å; V1283-I1308 HydrophobicContact CG1-CG2 4.35Å; V1283-A1310 HydrophobicContact CB-CB 4.14Å; V1283-A1310 HydrophobicContact CG2-CB 3.75Å; V1283-A1310 PolarHBondContact N-O 2.92Å; V1283-Y1312 HydrophobicContact CB-CE2 4.18Å; V1283-Y1312 HydrophobicContact CG1-CE2 4.46Å; V1283-Y1312 HydrophobicContact CG2-CD1 4.49Å; V1283-Y1312 HydrophobicContact CG2-CD2 4.1Å; V1283-Y1312 HydrophobicContact CG2-CE1 4.21Å; V1283-Y1312 HydrophobicContact CG2-CE2 3.76Å; V1283-Y1312 HydrophobicContact CG2-CG 4.46Å; V1283-I1323 HydrophobicContact CG2-CG1 4.47Å; V1283-I1323 HydrophobicContact CG2-CG2 4.09Å; V1283-M1339 HydrophobicContact CB-SD 4.34Å; V1283-M1339 HydrophobicContact CG1-CG 3.99Å; V1283-M1339 HydrophobicContact CG1-SD 4.05Å; V1283-M1339 HydrophobicContact CG2-SD 4.11Å |
| 1284 | R | 90.5 | Very high | 73.3 | Confident | 101 Ų | 101 | 56.8 Ų | 56.8 | 38% | 0.381 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 110.7 | 179 | -62.5 | -172.2 | 168.6 | 72.9 | 2.3 | 109.4 | E1279 R1282 H1286 | E1279-R1284 PolarHBondContact O-NH2 3.44Å; E1279-R1284 IonicContact OE1-CZ 2.69Å; E1279-R1284 IonicContact OE1-NE 3.85Å; E1279-R1284 IonicContact OE1-NH2 3.82Å; E1279-R1284 PolarHBondContact OE1-NH2 3.27Å; R1282-R1284 HydrophobicContact CG-CG 4.36Å; R1284-H1286 PolarHBondContact O-N 3.48Å |
| 1285 | L | 87.5 | Confident | 71.1 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 128.4 | 178.4 | -57.3 | 177.9 | 0 | 0 | 0 | 110 | V1283 R1287 N1306 I1308 E1335 F1338 M1339 | V1283-L1285 HydrophobicContact CG1-CD2 4.4Å; L1285-R1287 VanDerWaalsContact C-N 3.28Å; L1285-N1306 HydrophobicContact CB-CB 4.44Å; L1285-N1306 PolarHBondContact N-O 2.86Å; L1285-N1306 WeakPolarHBondContact O-CB 3.17Å; L1285-I1308 HydrophobicContact CD1-CB 4.34Å; L1285-I1308 HydrophobicContact CD1-CG2 4.28Å; L1285-I1308 HydrophobicContact CD2-CG2 4.34Å; L1285-I1308 HydrophobicContact CG-CG2 4.2Å; L1285-E1335 HydrophobicContact CD1-CB 3.73Å; L1285-E1335 HydrophobicContact CD1-CG 3.77Å; L1285-F1338 HydrophobicContact CD2-CB 4.34Å; L1285-M1339 HydrophobicContact CD2-CB 3.89Å |
| 1286 | H | 77.3 | Confident | 68.9 | Low | 161 Ų | 161 | 68.6 Ų | 68.6 | 75% | 0.745 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | -35.8 | 172.8 | -67.9 | 77.9 | 0 | 0 | 0 | 110.3 | R1284 E1342 | R1284-H1286 PolarHBondContact O-N 3.48Å; H1286-E1342 IonicContact CG-OE2 3.3Å; H1286-E1342 PolarHBondContact N-OE2 3.09Å; H1286-E1342 IonicContact ND1-OE2 3.2Å; H1286-E1342 PolarHBondContact ND1-OE2 2.97Å |
| 1287 | R | 71.6 | Confident | 66.6 | Low | 81 Ų | 81 | 75.6 Ų | 75.6 | 31% | 0.306 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 120 | 179 | -65.3 | 169 | -179.3 | 179.7 | 2.4 | 110.3 | L1285 F1338 E1342 | L1285-R1287 VanDerWaalsContact C-N 3.28Å; R1287-F1338 HydrophobicContact CB-CD1 4.14Å; R1287-F1338 HydrophobicContact CB-CE1 4.17Å; R1287-F1338 HydrophobicContact CB-CG 4.41Å; R1287-F1338 HydrophobicContact CB-CZ 4.45Å; R1287-E1342 WeakPolarHBondContact CB-OE1 2.84Å; R1287-E1342 WeakPolarHBondContact CD-OE1 3.41Å; R1287-E1342 VanDerWaalsContact CG-OE1 3.26Å; R1287-E1342 WeakPolarHBondContact CG-OE1 3.39Å; R1287-E1342 PolarHBondContact N-OE1 2.83Å |
| 1288 | T | 65.2 | Low | 64.4 | Low | 60 Ų | 60 | 83.4 Ų | 83.4 | 37% | 0.368 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 140.4 | 178.8 | 57.1 | 0 | 0 | 0 | 0 | 112.5 | N1306 | T1288-N1306 HydrophobicContact CG2-CB 4.22Å |
| 1289 | T | 58.2 | Low | 62.7 | Low | 25 Ų | 25 | 90.2 Ų | 90.2 | 15% | 0.153 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 137.8 | 168.3 | 44.5 | 0 | 0 | 0 | 0 | 110.6 | K1266 E1335 F1338 | K1266-T1289 PolarHBondContact NZ-OG1 2.86Å; T1289-E1335 WeakPolarHBondContact CB-OE1 3.3Å; T1289-E1335 HydrophobicContact CG2-CG 4.26Å; T1289-E1335 WeakPolarHBondContact CG2-OE1 3.32Å; T1289-E1335 PolarHBondContact OG1-OE1 2.9Å; T1289-F1338 HydrophobicContact CG2-CD2 4.48Å; T1289-F1338 HydrophobicContact CG2-CE2 4.01Å |
| 1290 | T | 53.5 | Low | 60.8 | Low | 86 Ų | 86 | 95 Ų | 95 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 123.6 | 176.9 | 46.3 | 0 | 0 | 0 | 0 | 110.3 | L1302 T1304 | T1290-L1302 HydrophobicContact CG2-CD2 3.5Å; T1290-L1302 VanDerWaalsContact CG2-CD2 3.5Å; T1290-L1302 HydrophobicContact CG2-CG 4.29Å; T1290-T1304 HydrophobicContact CG2-CG2 3.67Å |
| 1291 | T | 47.1 | Very low | 59.3 | Low | 48 Ų | 48 | 95.7 Ų | 95.7 | 29% | 0.294 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 117.2 | 169.9 | 41.2 | 0 | 0 | 0 | 0 | 109.9 | L1262 T1293 | L1262-T1291 WeakPolarHBondContact CD1-OG1 3.2Å; T1291-T1293 PolarHBondContact O-N 2.91Å |
| 1292 | T | 42.9 | Very low | 57.6 | Low | 116 Ų | 116 | 98.7 Ų | 98.7 | 71% | 0.712 | 53% | 0.528 | S | S | * | . | trans | -80.8 | 101.4 | 169.5 | 46 | 0 | 0 | 0 | 0 | 109.4 | T1294 L1302 | T1292-T1294 PolarHBondContact O-N 3.47Å; T1292-L1302 HydrophobicContact CG2-CD1 4.47Å | ||
| 1293 | T | 39.6 | Very low | 56 | Low | 103 Ų | 103 | 103.5 Ų | 103.5 | 63% | 0.632 | 55% | 0.552 | S | S | * | * | trans | -75 | 108 | 165.1 | 42.4 | 0 | 0 | 0 | 0 | 108.8 | T1291 N1295 | T1291-T1293 PolarHBondContact O-N 2.91Å; T1293-N1295 PolarHBondContact O-N 3.26Å | ||
| 1294 | T | 37.5 | Very low | 55 | Low | 133 Ų | 133 | 106.9 Ų | 106.9 | 82% | 0.816 | 57% | 0.572 | S | S | * | * | trans | -67.5 | 80.8 | 167.9 | 45.1 | 0 | 0 | 0 | 0 | 109.4 | T1292 | T1292-T1294 PolarHBondContact O-N 3.47Š| ||
| 1295 | N | 39.8 | Very low | 54.5 | Low | 138 Ų | 138 | 102.5 Ų | 102.5 | 74% | 0.738 | 56% | 0.557 | S | S | * | * | trans | -113.1 | 120 | 161.6 | -89.7 | -16.5 | 0 | 0 | 0 | 107.7 | T1293 N1297 | T1293-N1295 PolarHBondContact O-N 3.26Å; N1295-N1297 PolarHBondContact O-N 3.25Å | ||
| 1296 | N | 43.3 | Very low | 54.6 | Low | 164 Ų | 164 | 104.8 Ų | 104.8 | 88% | 0.877 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -66.6 | 25.5 | -163.1 | -113 | -3.8 | 0 | 0 | 0 | 116.6 | ||
| 1297 | N | 43.3 | Very low | 55.3 | Low | 148 Ų | 148 | 97.1 Ų | 97.1 | 79% | 0.791 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -131.4 | 88.6 | -177.2 | -77.8 | -25.2 | 0 | 0 | 0 | 111.6 | N1295 N1299 | N1295-N1297 PolarHBondContact O-N 3.25Å; N1297-N1299 VanDerWaalsContact C-N 3.27Å; N1297-N1299 PolarHBondContact O-N 2.89Å |
| 1298 | N | 43.5 | Very low | 56.3 | Low | 165 Ų | 165 | 93.6 Ų | 93.6 | 88% | 0.882 | 52% | 0.521 | S | S | * | . | S | Bend | trans | 35.7 | 16.4 | 145.1 | -82.2 | -2.2 | 0 | 0 | 0 | 123.2 | ||
| 1299 | N | 45.5 | Very low | 57.8 | Low | 143 Ų | 143 | 90.9 Ų | 90.9 | 77% | 0.765 | 50% | 0.504 | S | S | * | . | trans | -137.1 | 87.4 | 164.9 | -83.3 | -29.2 | 0 | 0 | 0 | 109.8 | N1297 N1301 | N1297-N1299 VanDerWaalsContact C-N 3.27Å; N1297-N1299 PolarHBondContact O-N 2.89Å; N1299-N1301 PolarHBondContact O-N 3.04Å | ||
| 1300 | N | 41.7 | Very low | 59.6 | Low | 142 Ų | 142 | 89.7 Ų | 89.7 | 76% | 0.759 | 50% | 0.497 | S | S | * | . | trans | -69.6 | 73.4 | 175.1 | -73.6 | -20.4 | 0 | 0 | 0 | 110.8 | L1302 | N1300-L1302 VanDerWaalsContact C-N 3.32Å; N1300-L1302 PolarHBondContact O-N 2.87Å | ||
| 1301 | N | 47.3 | Very low | 61.5 | Low | 137 Ų | 137 | 85.6 Ų | 85.6 | 73% | 0.733 | 47% | 0.472 | S | S | * | . | trans | -74.4 | 91.6 | 163.6 | -83.1 | -9.8 | 0 | 0 | 0 | 108.1 | N1299 Q1303 | N1299-N1301 PolarHBondContact O-N 3.04Å; N1301-Q1303 PolarHBondContact O-N 3.43Å | ||
| 1302 | L | 50.6 | Low | 63.8 | Low | 103 Ų | 103 | 84.8 Ų | 84.8 | 54% | 0.539 | 46% | 0.464 | S | S | . | . | trans | -58.9 | 105.8 | 174.4 | -132.3 | 80.5 | 0 | 0 | 0 | 108.9 | T1290 T1292 N1300 | T1290-L1302 HydrophobicContact CG2-CD2 3.5Å; T1290-L1302 VanDerWaalsContact CG2-CD2 3.5Å; T1290-L1302 HydrophobicContact CG2-CG 4.29Å; T1292-L1302 HydrophobicContact CG2-CD1 4.47Å; N1300-L1302 VanDerWaalsContact C-N 3.32Å; N1300-L1302 PolarHBondContact O-N 2.87Å | ||
| 1303 | Q | 58.6 | Low | 66.1 | Low | 114 Ų | 114 | 79.3 Ų | 79.3 | 53% | 0.533 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 128.9 | 175.1 | -71.3 | -173.6 | -9 | 0 | 0 | 110 | L1262 N1301 | L1262-Q1303 HydrophobicContact CD1-CB 4.05Å; L1262-Q1303 HydrophobicContact CD2-CB 4.15Å; N1301-Q1303 PolarHBondContact O-N 3.43Å |
| 1304 | T | 70.4 | Confident | 68.5 | Low | 71 Ų | 71 | 75.4 Ų | 75.4 | 44% | 0.436 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 145.2 | 179 | 50.7 | 0 | 0 | 0 | 0 | 110.5 | T1290 | T1290-T1304 HydrophobicContact CG2-CG2 3.67Å |
| 1305 | S | 80.6 | Confident | 70.9 | Confident | 9 Ų | 9 | 69.3 Ų | 69.3 | 6% | 0.063 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 140.2 | 177.7 | 178.1 | 0 | 0 | 0 | 0 | 111.4 | N1263 Y1307 | N1263-S1305 WeakPolarHBondContact OD1-CB 3.45Å; N1263-S1305 PolarHBondContact OD1-OG 3.34Å; S1305-Y1307 VanDerWaalsContact OG-CB 3.32Å; S1305-Y1307 WeakPolarHBondContact OG-CB 3.3Å; S1305-Y1307 PolarHBondContact OG-N 3.33Å; S1305-Y1307 VanDerWaalsContact OG-N 3.1Å |
| 1306 | N | 88.6 | Confident | 73.1 | Confident | 54 Ų | 54 | 63.2 Ų | 63.2 | 29% | 0.289 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 17.5 | 170.1 | 68.1 | 2.9 | 0 | 0 | 0 | 113.3 | R1282 L1285 T1288 | R1282-N1306 PolarHBondContact NH1-OD1 3.42Å; R1282-N1306 VanDerWaalsContact NH1-OD1 3.11Å; R1282-N1306 PolarHBondContact NH2-OD1 3.48Å; L1285-N1306 HydrophobicContact CB-CB 4.44Å; L1285-N1306 PolarHBondContact N-O 2.86Å; L1285-N1306 WeakPolarHBondContact O-CB 3.17Å; T1288-N1306 HydrophobicContact CG2-CB 4.22Å |
| 1307 | Y | 92.4 | Very high | 74.9 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 136 | -174.2 | 178.5 | -100.4 | 0 | 0 | 0 | 112.8 | V1257 A1258 N1263 K1266 N1267 P1277 S1305 | V1257-Y1307 HydrophobicContact CG1-CD2 3.95Å; V1257-Y1307 HydrophobicContact CG1-CG 4.36Å; A1258-Y1307 HydrophobicContact CB-CE2 3.71Å; A1258-Y1307 WeakPolarHBondContact CB-OH 3.11Å; N1263-Y1307 HydrophobicContact CB-CD1 3.58Å; N1263-Y1307 HydrophobicContact CB-CE1 4.09Å; N1263-Y1307 HydrophobicContact CB-CG 4.07Å; N1263-Y1307 WeakPolarHBondContact ND2-CB 3.39Å; K1266-Y1307 HydrophobicContact CB-CD1 4.08Å; K1266-Y1307 HydrophobicContact CB-CE1 4.14Å; K1266-Y1307 HydrophobicContact CD-CD1 4.2Å; K1266-Y1307 WeakPolarHBondContact CD-O 3.3Å; N1267-Y1307 VanDerWaalsContact OD1-CE1 3.23Å; N1267-Y1307 WeakPolarHBondContact OD1-CE1 3.46Å; N1267-Y1307 VanDerWaalsContact OD1-CZ 3.31Å; N1267-Y1307 PolarHBondContact OD1-OH 3.46Å; P1277-Y1307 WeakPolarHBondContact CD-OH 3.42Å; P1277-Y1307 HydrophobicContact CG-CE2 3.96Å; S1305-Y1307 VanDerWaalsContact OG-CB 3.32Å; S1305-Y1307 WeakPolarHBondContact OG-CB 3.3Å; S1305-Y1307 PolarHBondContact OG-N 3.33Å; S1305-Y1307 VanDerWaalsContact OG-N 3.1Å |
| 1308 | I | 93.9 | Very high | 76.8 | Confident | 7 Ų | 7 | 54.5 Ų | 54.5 | 4% | 0.036 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 145.6 | 164.7 | -177 | 170.4 | 0 | 0 | 0 | 107.6 | V1283 L1285 A1310 E1335 F1336 M1339 | V1283-I1308 HydrophobicContact CB-CG2 4.15Å; V1283-I1308 HydrophobicContact CG1-CG2 4.35Å; L1285-I1308 HydrophobicContact CD1-CB 4.34Å; L1285-I1308 HydrophobicContact CD1-CG2 4.28Å; L1285-I1308 HydrophobicContact CD2-CG2 4.34Å; L1285-I1308 HydrophobicContact CG-CG2 4.2Å; I1308-A1310 HydrophobicContact CG1-CB 4.45Å; I1308-A1310 HydrophobicContact CG2-CB 4.11Å; I1308-A1310 PolarHBondContact O-N 2.75Å; I1308-E1335 HydrophobicContact CB-CB 4.48Å; I1308-E1335 HydrophobicContact CD1-CB 4.1Å; I1308-F1336 HydrophobicContact CD1-CB 4.42Å; I1308-M1339 HydrophobicContact CD1-CE 4.07Å; I1308-M1339 HydrophobicContact CD1-SD 4.2Å; I1308-M1339 HydrophobicContact CG2-SD 4.47Å |
| 1309 | N | 95 | Very high | 78.8 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 68.5 | 175.6 | -172.7 | -5 | 0 | 0 | 0 | 111.6 | P1277 T1325 Q1326 R1550 | P1277-N1309 VanDerWaalsContact CD-OD1 3.31Å; P1277-N1309 WeakPolarHBondContact CD-OD1 3.37Å; N1309-T1325 PolarHBondContact O-OG1 3.19Å; N1309-T1325 VanDerWaalsContact O-OG1 3.05Å; N1309-Q1326 HydrophobicContact CB-CG 4.22Å; N1309-Q1326 PolarHBondContact ND2-OE1 3.23Å; N1309-R1550 PolarHBondContact OD1-NH2 2.94Å |
| 1310 | A | 96.1 | Very high | 80.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 149.8 | 177 | 0 | 0 | 0 | 0 | 0 | 109.7 | R1282 V1283 I1308 I1323 L1324 M1339 | R1282-A1310 WeakPolarHBondContact CA-O 3.27Å; V1283-A1310 HydrophobicContact CB-CB 4.14Å; V1283-A1310 HydrophobicContact CG2-CB 3.75Å; V1283-A1310 PolarHBondContact N-O 2.92Å; I1308-A1310 HydrophobicContact CG1-CB 4.45Å; I1308-A1310 HydrophobicContact CG2-CB 4.11Å; I1308-A1310 PolarHBondContact O-N 2.75Å; A1310-I1323 HydrophobicContact CB-CG2 4.06Å; A1310-L1324 WeakPolarHBondContact CA-O 2.99Å; A1310-M1339 HydrophobicContact CB-CE 4.41Å; A1310-M1339 HydrophobicContact CB-SD 3.64Å |
| 1311 | L | 94.3 | Very high | 83.2 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 156.3 | 176.2 | 64.5 | 88.5 | 0 | 0 | 0 | 111.2 | P1277 W1281 L1313 I1323 L1324 R1549 R1550 | P1277-L1311 HydrophobicContact CB-CB 4.05Å; P1277-L1311 HydrophobicContact CB-CD2 4.27Å; W1281-L1311 HydrophobicContact CB-CB 4.39Å; W1281-L1311 CarbonylContact O-C 3.39Å; W1281-L1311 WeakPolarHBondContact O-CA 3.49Å; W1281-L1311 WeakPolarHBondContact O-CB 3.29Å; L1311-L1313 HydrophobicContact CD1-CD2 3.42Å; L1311-L1313 VanDerWaalsContact CD1-CD2 3.42Å; L1311-L1313 HydrophobicContact CD1-CG 3.86Å; L1311-I1323 CarbonylContact O-C 3.55Å; L1311-I1323 WeakPolarHBondContact O-CA 3.28Å; L1311-L1324 HydrophobicContact CD1-CB 4.02Å; L1311-L1324 HydrophobicContact CG-CB 4.27Å; L1311-L1324 PolarHBondContact N-O 3.22Å; L1311-L1324 VanDerWaalsContact N-O 3.12Å; L1311-L1324 PolarHBondContact O-N 2.98Å; L1311-R1549 HydrophobicContact CD1-CB 4.03Å; L1311-R1549 WeakPolarHBondContact CD2-O 3.34Å; L1311-R1550 HydrophobicContact CD2-CB 3.67Å; L1311-R1550 HydrophobicContact CD2-CG 4.41Å; L1311-R1550 VanDerWaalsContact CD2-CZ 3.45Å |
| 1312 | Y | 94.2 | Very high | 85.5 | Confident | 30 Ų | 30 | 34.1 Ų | 34.1 | 12% | 0.118 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 139.5 | 172.8 | -62.2 | -78.2 | 0 | 0 | 0 | 111.6 | W1281 V1283 D1320 I1322 I1323 E1343 R1549 | W1281-Y1312 PolarHBondContact O-N 3.39Å; V1283-Y1312 HydrophobicContact CB-CE2 4.18Å; V1283-Y1312 HydrophobicContact CG1-CE2 4.46Å; V1283-Y1312 HydrophobicContact CG2-CD1 4.49Å; V1283-Y1312 HydrophobicContact CG2-CD2 4.1Å; V1283-Y1312 HydrophobicContact CG2-CE1 4.21Å; V1283-Y1312 HydrophobicContact CG2-CE2 3.76Å; V1283-Y1312 HydrophobicContact CG2-CG 4.46Å; Y1312-D1320 WeakPolarHBondContact CB-OD1 3.14Å; Y1312-D1320 HydrophobicContact CD1-CB 3.58Å; Y1312-D1320 HydrophobicContact CE1-CB 4.24Å; Y1312-D1320 HydrophobicContact CG-CB 3.77Å; Y1312-I1322 CarbonylContact C-O 3.51Å; Y1312-I1322 WeakPolarHBondContact CA-O 3.35Å; Y1312-I1323 HydrophobicContact CD1-CD1 4.31Å; Y1312-I1323 HydrophobicContact CD1-CG1 3.65Å; Y1312-I1323 HydrophobicContact CE1-CD1 3.85Å; Y1312-I1323 HydrophobicContact CE1-CG1 3.72Å; Y1312-E1343 WeakPolarHBondContact CE1-OE2 3.22Å; Y1312-E1343 PolarHBondContact OH-OE1 2.89Å; Y1312-E1343 PolarHBondContact OH-OE2 3.44Å; Y1312-R1549 WeakPolarHBondContact O-CD 3.49Å; Y1312-R1549 PolarHBondContact O-NH1 2.84Å |
| 1313 | L | 92.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 142 | 163.8 | -56.3 | 178.4 | 0 | 0 | 0 | 107.8 | L1311 D1320 D1321 I1322 L1324 A1522 I1546 R1549 | L1311-L1313 HydrophobicContact CD1-CD2 3.42Å; L1311-L1313 VanDerWaalsContact CD1-CD2 3.42Å; L1311-L1313 HydrophobicContact CD1-CG 3.86Å; L1313-D1320 CarbonylContact O-C 3.53Å; L1313-D1321 PolarHBondContact O-N 2.9Å; L1313-I1322 HydrophobicContact CB-CB 4.13Å; L1313-I1322 HydrophobicContact CD1-CG2 4.38Å; L1313-I1322 PolarHBondContact N-O 3.48Å; L1313-I1322 PolarHBondContact O-N 2.9Å; L1313-I1322 VanDerWaalsContact O-N 3.08Å; L1313-L1324 HydrophobicContact CD1-CB 4.21Å; L1313-L1324 HydrophobicContact CD1-CD2 4.34Å; L1313-L1324 HydrophobicContact CG-CB 4.36Å; L1313-A1522 HydrophobicContact CD1-CB 3.73Å; L1313-I1546 HydrophobicContact CD1-CG2 4.14Å; L1313-I1546 HydrophobicContact CD2-CG2 4.13Å; L1313-R1549 VanDerWaalsContact CA-NH1 3.29Å; L1313-R1549 HydrophobicContact CD2-CB 4.06Å; L1313-R1549 HydrophobicContact CD2-CG 4.37Å |
| 1314 | D | 90 | Very high | 89.5 | Confident | 21 Ų | 21 | 23.8 Ų | 23.8 | 11% | 0.112 | 13% | 0.133 | C | C | . | . | trans | -73.9 | 139.5 | 172.7 | -56 | -15.2 | 0 | 0 | 0 | 109 | P1042 H1043 D1320 I1526 R1549 | P1042-D1314 HydrophobicContact CB-CB 4.01Å; P1042-D1314 HydrophobicContact CG-CB 3.94Å; H1043-D1314 IonicContact CE1-OD2 3.62Å; H1043-D1314 IonicContact NE2-OD2 2.84Å; H1043-D1314 PolarHBondContact NE2-OD2 2.8Å; D1314-D1320 PolarHBondContact OD1-N 2.93Å; D1314-I1526 WeakPolarHBondContact O-CD1 3.43Å; D1314-R1549 IonicContact OD1-CZ 3.78Å; D1314-R1549 IonicContact OD1-NH1 3.79Å; D1314-R1549 PolarHBondContact OD1-NH1 2.77Å; D1314-R1549 IonicContact OD1-NH2 2.86Å; D1314-R1549 PolarHBondContact OD1-NH2 3.11Å; D1314-R1549 IonicContact OD2-CZ 3.32Å; D1314-R1549 IonicContact OD2-NH1 3.85Å; D1314-R1549 IonicContact OD2-NH2 2.81Å; D1314-R1549 PolarHBondContact OD2-NH2 2.91Å | ||
| 1315 | G | 89 | Confident | 90.8 | Very high | 5 Ų | 5 | 20.5 Ų | 20.5 | 5% | 0.052 | 11% | 0.113 | C | C | . | . | trans | -81.3 | -173.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | P1042 S1317 L1318 | P1042-G1315 WeakPolarHBondContact CG-O 3.23Å; G1315-S1317 VanDerWaalsContact C-N 3.29Å; G1315-S1317 PolarHBondContact O-N 2.98Å; G1315-L1318 PolarHBondContact N-O 3.03Å | ||
| 1316 | A | 84.5 | Confident | 91.5 | Very high | 11 Ų | 11 | 20.4 Ų | 20.4 | 9% | 0.091 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -63.7 | -37.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P1042 E1529 N1530 R1533 | P1042-A1316 WeakPolarHBondContact CD-O 3.39Å; A1316-E1529 HydrophobicContact CB-CB 3.61Å; A1316-E1529 HydrophobicContact CB-CG 4.5Å; A1316-N1530 WeakPolarHBondContact CB-OD1 3.35Å; A1316-R1533 PolarHBondContact O-NH1 3.41Å; A1316-R1533 PolarHBondContact O-NH2 2.87Å |
| 1317 | S | 81.9 | Confident | 91.8 | Very high | 41 Ų | 41 | 18 Ų | 18 | 29% | 0.287 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -119 | -21.2 | -171.9 | 55.7 | 0 | 0 | 0 | 0 | 115.2 | D1040 Y1041 G1315 | D1040-S1317 WeakPolarHBondContact O-CA 3.46Å; D1040-S1317 WeakPolarHBondContact O-CB 3.35Å; Y1041-S1317 CarbonylContact C-O 3.55Å; G1315-S1317 VanDerWaalsContact C-N 3.29Å; G1315-S1317 PolarHBondContact O-N 2.98Å |
| 1318 | L | 83.2 | Confident | 91.9 | Very high | 88 Ų | 88 | 18.1 Ų | 18.1 | 46% | 0.461 | 10% | 0.1 | S | C | . | . | S | Bend | trans | -124.1 | 141.6 | -172.8 | -65.3 | 173.1 | 0 | 0 | 0 | 110.4 | G1315 D1321 | G1315-L1318 PolarHBondContact N-O 3.03Å; L1318-D1321 HydrophobicContact CB-CB 3.97Å |
| 1319 | L | 85.1 | Confident | 91.9 | Very high | 81 Ų | 81 | 17.9 Ų | 17.9 | 42% | 0.424 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 143.7 | 165.8 | -71 | 164.9 | 0 | 0 | 0 | 109.2 | P1042 H1043 D1321 | P1042-L1319 HydrophobicContact CB-CD2 3.59Å; P1042-L1319 HydrophobicContact CB-CG 3.85Å; P1042-L1319 WeakPolarHBondContact O-CD1 3.48Å; P1042-L1319 WeakPolarHBondContact O-CD2 3.29Å; P1042-L1319 WeakPolarHBondContact O-CG 3.31Å; H1043-L1319 WeakPolarHBondContact CE1-CD2 3.41Å; L1319-D1321 PolarHBondContact O-N 3.06Å |
| 1320 | D | 88.8 | Confident | 91.5 | Very high | 69 Ų | 69 | 25.6 Ų | 25.6 | 37% | 0.369 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 27.5 | 173.5 | -60 | -26.3 | 0 | 0 | 0 | 114.6 | Y1312 L1313 D1314 I1322 R1549 | Y1312-D1320 WeakPolarHBondContact CB-OD1 3.14Å; Y1312-D1320 HydrophobicContact CD1-CB 3.58Å; Y1312-D1320 HydrophobicContact CE1-CB 4.24Å; Y1312-D1320 HydrophobicContact CG-CB 3.77Å; L1313-D1320 CarbonylContact O-C 3.53Å; D1314-D1320 PolarHBondContact OD1-N 2.93Å; D1320-I1322 PolarHBondContact O-N 3.24Å; D1320-R1549 IonicContact OD1-NH1 3.71Å |
| 1321 | D | 90.9 | Very high | 91.1 | Very high | 8 Ų | 8 | 29 Ų | 29 | 4% | 0.043 | 15% | 0.15 | C | C | . | . | trans | -66.8 | -20 | -175.7 | -165.2 | 37.1 | 0 | 0 | 0 | 113.8 | L1313 L1318 L1319 R1502 P1506 L1507 | L1313-D1321 PolarHBondContact O-N 2.9Å; L1318-D1321 HydrophobicContact CB-CB 3.97Å; L1319-D1321 PolarHBondContact O-N 3.06Å; D1321-R1502 IonicContact OD1-NH1 2.84Å; D1321-R1502 IonicContact OD2-CZ 2.67Å; D1321-R1502 IonicContact OD2-NH1 3.29Å; D1321-R1502 PolarHBondContact OD2-NH1 3.47Å; D1321-R1502 IonicContact OD2-NH2 3.28Å; D1321-P1506 CarbonylContact O-C 3.54Å; D1321-P1506 WeakPolarHBondContact O-CA 3.38Å; D1321-P1506 WeakPolarHBondContact O-CB 3.47Å; D1321-L1507 PolarHBondContact O-N 3.29Å | ||
| 1322 | I | 95.3 | Very high | 91 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 134.3 | -174.8 | -57.4 | 164.9 | 0 | 0 | 0 | 109.1 | Y1312 L1313 D1320 L1507 I1509 Y1525 I1526 | Y1312-I1322 CarbonylContact C-O 3.51Å; Y1312-I1322 WeakPolarHBondContact CA-O 3.35Å; L1313-I1322 HydrophobicContact CB-CB 4.13Å; L1313-I1322 HydrophobicContact CD1-CG2 4.38Å; L1313-I1322 PolarHBondContact N-O 3.48Å; L1313-I1322 PolarHBondContact O-N 2.9Å; L1313-I1322 VanDerWaalsContact O-N 3.08Å; D1320-I1322 PolarHBondContact O-N 3.24Å; I1322-L1507 CarbonylContact C-O 3.59Å; I1322-L1507 WeakPolarHBondContact CA-O 3.3Å; I1322-L1507 HydrophobicContact CG1-CB 4.41Å; I1322-L1507 WeakPolarHBondContact CG2-O 3.47Å; I1322-I1509 HydrophobicContact CG2-CD1 3.84Å; I1322-I1509 HydrophobicContact CG2-CG1 4.13Å; I1322-Y1525 HydrophobicContact CD1-CD1 3.59Å; I1322-Y1525 HydrophobicContact CD1-CE1 3.89Å; I1322-Y1525 HydrophobicContact CG1-CD1 4.48Å; I1322-Y1525 HydrophobicContact CG1-CE1 4.41Å; I1322-I1526 HydrophobicContact CD1-CD1 3.97Å; I1322-I1526 HydrophobicContact CD1-CG1 3.82Å |
| 1323 | I | 97.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 120.5 | 172.8 | -65.9 | 169 | 0 | 0 | 0 | 108.8 | V1283 A1310 L1311 Y1312 M1339 E1343 V1345 P1506 L1507 I1508 I1509 | V1283-I1323 HydrophobicContact CG2-CG1 4.47Å; V1283-I1323 HydrophobicContact CG2-CG2 4.09Å; A1310-I1323 HydrophobicContact CB-CG2 4.06Å; L1311-I1323 CarbonylContact O-C 3.55Å; L1311-I1323 WeakPolarHBondContact O-CA 3.28Å; Y1312-I1323 HydrophobicContact CD1-CD1 4.31Å; Y1312-I1323 HydrophobicContact CD1-CG1 3.65Å; Y1312-I1323 HydrophobicContact CE1-CD1 3.85Å; Y1312-I1323 HydrophobicContact CE1-CG1 3.72Å; I1323-M1339 HydrophobicContact CD1-CG 4.4Å; I1323-M1339 HydrophobicContact CG2-CE 4.27Å; I1323-M1339 HydrophobicContact CG2-SD 3.76Å; I1323-E1343 HydrophobicContact CD1-CB 4.15Å; I1323-E1343 HydrophobicContact CD1-CG 3.91Å; I1323-V1345 HydrophobicContact CD1-CG2 4.32Å; I1323-P1506 HydrophobicContact CD1-CB 4.13Å; I1323-P1506 HydrophobicContact CD1-CG 3.79Å; I1323-P1506 HydrophobicContact CG1-CB 4.19Å; I1323-P1506 HydrophobicContact CG1-CG 4.39Å; I1323-L1507 PolarHBondContact N-O 2.81Å; I1323-I1508 HydrophobicContact CB-CG1 3.95Å; I1323-I1508 HydrophobicContact CD1-CG1 4.4Å; I1323-I1508 HydrophobicContact CG2-CG1 4.2Å; I1323-I1508 CarbonylContact O-C 3.54Å; I1323-I1508 WeakPolarHBondContact O-CA 3.32Å; I1323-I1509 PolarHBondContact O-N 2.67Å |
| 1324 | L | 96.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 115.1 | 177.8 | -163.7 | 74.8 | 0 | 0 | 0 | 110.1 | A1310 L1311 L1313 I1509 G1514 S1518 A1522 R1550 I1553 | A1310-L1324 WeakPolarHBondContact CA-O 2.99Å; L1311-L1324 HydrophobicContact CD1-CB 4.02Å; L1311-L1324 HydrophobicContact CG-CB 4.27Å; L1311-L1324 PolarHBondContact N-O 3.22Å; L1311-L1324 VanDerWaalsContact N-O 3.12Å; L1311-L1324 PolarHBondContact O-N 2.98Å; L1313-L1324 HydrophobicContact CD1-CB 4.21Å; L1313-L1324 HydrophobicContact CD1-CD2 4.34Å; L1313-L1324 HydrophobicContact CG-CB 4.36Å; L1324-I1509 HydrophobicContact CD1-CB 4.17Å; L1324-G1514 WeakPolarHBondContact CD2-O 3.26Å; L1324-G1514 WeakPolarHBondContact CG-O 3.26Å; L1324-S1518 WeakPolarHBondContact CD1-OG 3.27Å; L1324-A1522 HydrophobicContact CD1-CB 4.34Å; L1324-R1550 PolarHBondContact O-NH1 3.12Å; L1324-I1553 HydrophobicContact CD2-CD1 3.66Å; L1324-I1553 HydrophobicContact CD2-CG1 4.44Å |
| 1325 | T | 97.1 | Very high | 90.8 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 159.5 | -174.8 | -169.8 | 0 | 0 | 0 | 0 | 112.2 | N1309 F1336 M1339 I1508 I1509 H1510 G1514 | N1309-T1325 PolarHBondContact O-OG1 3.19Å; N1309-T1325 VanDerWaalsContact O-OG1 3.05Å; T1325-F1336 HydrophobicContact CG2-CE2 4.13Å; T1325-M1339 HydrophobicContact CG2-CE 4.32Å; T1325-I1508 HydrophobicContact CG2-CG2 3.84Å; T1325-I1509 PolarHBondContact N-O 2.84Å; T1325-H1510 HydrophobicContact CG2-CB 3.73Å; T1325-H1510 WeakPolarHBondContact O-CA 3.06Å; T1325-H1510 WeakPolarHBondContact O-CB 3.25Å; T1325-G1514 WeakPolarHBondContact O-CA 3.27Å |
| 1326 | Q | 95.7 | Very high | 91.1 | Very high | 7 Ų | 7 | 30.7 Ų | 30.7 | 3% | 0.033 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 155.5 | 168.4 | 65.8 | -172.1 | 15.3 | 0 | 0 | 110 | K1266 N1309 C1511 | K1266-Q1326 PolarHBondContact O-NE2 2.65Å; N1309-Q1326 HydrophobicContact CB-CG 4.22Å; N1309-Q1326 PolarHBondContact ND2-OE1 3.23Å; Q1326-C1511 CarbonylContact C-O 3.55Å; Q1326-C1511 WeakPolarHBondContact CA-O 3.21Å |
| 1327 | T | 95.5 | Very high | 91.5 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -52.7 | 137.7 | 167.9 | -61.4 | 0 | 0 | 0 | 0 | 108.5 | R1268 Y1356 A1361 H1510 C1511 | R1268-T1327 PolarHBondContact NH2-O 2.6Å; T1327-Y1356 HydrophobicContact CG2-CD1 4.22Å; T1327-Y1356 HydrophobicContact CG2-CE1 3.69Å; T1327-A1361 HydrophobicContact CG2-CB 4.07Å; T1327-H1510 PolarHBondContact OG1-ND1 3.29Å; T1327-C1511 PolarHBondContact N-O 3.12Å; T1327-C1511 VanDerWaalsContact OG1-C 3.25Å; T1327-C1511 PolarHBondContact OG1-O 3.16Å |
| 1328 | P | 94.5 | Very high | 92 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.019 | 14% | 0.143 | C | C | . | . | P | Polyproline II helix | trans | -56.2 | 146.3 | -179.8 | -29.8 | 38 | 0 | 0 | 0 | 113 | R1268 F1336 V1362 Y1364 | R1268-P1328 PolarHBondContact NH2-O 2.8Å; P1328-F1336 HydrophobicContact CB-CB 4.48Å; P1328-F1336 HydrophobicContact CG-CB 4.04Å; P1328-F1336 HydrophobicContact CG-CD1 4.18Å; P1328-F1336 HydrophobicContact CG-CD2 3.56Å; P1328-F1336 HydrophobicContact CG-CE2 3.99Å; P1328-F1336 HydrophobicContact CG-CG 3.65Å; P1328-F1336 HydrophobicContact CG-CZ 4.47Å; P1328-V1362 WeakPolarHBondContact O-CG2 3.39Å; P1328-V1362 PolarHBondContact O-N 3.13Å; P1328-Y1364 HydrophobicContact CG-CD1 3.82Å; P1328-Y1364 HydrophobicContact CG-CG 3.92Å |
| 1329 | L | 93 | Very high | 92.5 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | B | Isolated β-bridge | trans | -92.4 | 163.9 | 166.5 | -58.8 | 94.2 | 0 | 0 | 0 | 109.3 | R1268 N1331 T1332 I1333 E1360 V1362 | R1268-L1329 HydrophobicContact CB-CD2 4.42Å; L1329-N1331 WeakPolarHBondContact CB-OD1 3.31Å; L1329-N1331 PolarHBondContact O-N 3.37Å; L1329-N1331 VanDerWaalsContact O-N 3.1Å; L1329-T1332 WeakPolarHBondContact CB-OG1 3.39Å; L1329-T1332 HydrophobicContact CD1-CG2 4.37Å; L1329-T1332 WeakPolarHBondContact CD1-OG1 3.4Å; L1329-T1332 PolarHBondContact N-OG1 3.1Å; L1329-T1332 PolarHBondContact O-N 3.24Å; L1329-T1332 PolarHBondContact O-OG1 2.59Å; L1329-I1333 WeakPolarHBondContact O-CG1 3.41Å; L1329-I1333 PolarHBondContact O-N 3.16Å; L1329-E1360 HydrophobicContact CD2-CB 4.44Å; L1329-V1362 VanDerWaalsContact C-CG2 3.47Å |
| 1330 | K | 87.9 | Confident | 92.9 | Very high | 165 Ų | 165 | 20.5 Ų | 20.5 | 72% | 0.717 | 10% | 0.101 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -34 | 177.8 | -171.3 | 178.6 | 177.5 | -177.3 | 0 | 113.3 | V1362 | K1330-V1362 HydrophobicContact CB-CG1 4.17Š|
| 1331 | N | 87.2 | Confident | 93 | Very high | 72 Ų | 72 | 18 Ų | 18 | 39% | 0.385 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -0.7 | -178.8 | 62.8 | -9.1 | 0 | 0 | 0 | 114.6 | H1265 L1329 | H1265-N1331 PolarHBondContact CD2-ND2 3.06Å; H1265-N1331 PolarHBondContact O-ND2 3.07Å; L1329-N1331 WeakPolarHBondContact CB-OD1 3.31Å; L1329-N1331 PolarHBondContact O-N 3.37Å; L1329-N1331 VanDerWaalsContact O-N 3.1Å |
| 1332 | T | 91.9 | Very high | 92.9 | Very high | 6 Ų | 6 | 19.6 Ų | 19.6 | 4% | 0.037 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | 9.7 | -178 | 50.5 | 0 | 0 | 0 | 0 | 113.6 | K1266 L1329 D1334 E1335 F1336 | K1266-T1332 HydrophobicContact CB-CG2 3.87Å; K1266-T1332 HydrophobicContact CD-CG2 4.46Å; K1266-T1332 HydrophobicContact CG-CG2 4.04Å; L1329-T1332 WeakPolarHBondContact CB-OG1 3.39Å; L1329-T1332 HydrophobicContact CD1-CG2 4.37Å; L1329-T1332 WeakPolarHBondContact CD1-OG1 3.4Å; L1329-T1332 PolarHBondContact N-OG1 3.1Å; L1329-T1332 PolarHBondContact O-N 3.24Å; L1329-T1332 PolarHBondContact O-OG1 2.59Å; T1332-D1334 VanDerWaalsContact C-N 3.29Å; T1332-D1334 PolarHBondContact O-N 2.93Å; T1332-E1335 WeakPolarHBondContact CA-OE2 3.45Å; T1332-E1335 PolarHBondContact O-N 3.28Å; T1332-F1336 WeakPolarHBondContact O-CB 3.26Å; T1332-F1336 PolarHBondContact O-N 2.84Å |
| 1333 | I | 91.3 | Very high | 92.7 | Very high | 18 Ų | 18 | 21.8 Ų | 21.8 | 9% | 0.092 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.1 | -41.6 | 177.3 | -60.3 | -179.4 | 0 | 0 | 0 | 110.8 | L1329 F1336 W1337 V1362 I1373 F1405 | L1329-I1333 WeakPolarHBondContact O-CG1 3.41Å; L1329-I1333 PolarHBondContact O-N 3.16Å; I1333-F1336 WeakPolarHBondContact O-CB 3.33Å; I1333-F1336 PolarHBondContact O-N 3.39Å; I1333-W1337 VanDerWaalsContact O-CD1 3.24Å; I1333-W1337 PolarHBondContact O-N 3.08Å; I1333-W1337 VanDerWaalsContact O-N 3.09Å; I1333-V1362 HydrophobicContact CD1-CG2 3.94Å; I1333-V1362 HydrophobicContact CG1-CG2 4.1Å; I1333-I1373 HydrophobicContact CD1-CD1 3.95Å; I1333-F1405 HydrophobicContact CG2-CD1 3.77Å; I1333-F1405 HydrophobicContact CG2-CE1 3.91Å |
| 1334 | D | 89.9 | Confident | 92.4 | Very high | 57 Ų | 57 | 26.3 Ų | 26.3 | 31% | 0.305 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -66.7 | -45.8 | -178.8 | -81.1 | -2 | 0 | 0 | 0 | 111.3 | T1332 F1336 W1337 F1338 A1406 G1407 | T1332-D1334 VanDerWaalsContact C-N 3.29Å; T1332-D1334 PolarHBondContact O-N 2.93Å; D1334-F1336 VanDerWaalsContact C-N 3.31Å; D1334-F1336 PolarHBondContact O-N 3.34Å; D1334-W1337 PolarHBondContact O-N 2.71Å; D1334-F1338 VanDerWaalsContact O-CD2 3.29Å; D1334-F1338 WeakPolarHBondContact O-CD2 3.29Å; D1334-F1338 PolarHBondContact O-N 3.37Å; D1334-A1406 VanDerWaalsContact CG-N 3.34Å; D1334-A1406 WeakPolarHBondContact OD1-CA 3.38Å; D1334-A1406 PolarHBondContact OD1-N 2.87Å; D1334-G1407 PolarHBondContact OD2-N 2.78Å; D1334-G1407 VanDerWaalsContact OD2-N 3.11Å |
| 1335 | E | 91.4 | Very high | 92.3 | Very high | 10 Ų | 10 | 26.3 Ų | 26.3 | 5% | 0.047 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.3 | -39.6 | 172.2 | -73.2 | 88 | 163.6 | 0 | 0 | 112.7 | K1266 L1285 T1289 I1308 T1332 W1337 F1338 M1339 | K1266-E1335 IonicContact NZ-OE1 2.68Å; K1266-E1335 PolarHBondContact NZ-OE1 3.45Å; L1285-E1335 HydrophobicContact CD1-CB 3.73Å; L1285-E1335 HydrophobicContact CD1-CG 3.77Å; T1289-E1335 WeakPolarHBondContact CB-OE1 3.3Å; T1289-E1335 HydrophobicContact CG2-CG 4.26Å; T1289-E1335 WeakPolarHBondContact CG2-OE1 3.32Å; T1289-E1335 PolarHBondContact OG1-OE1 2.9Å; I1308-E1335 HydrophobicContact CB-CB 4.48Å; I1308-E1335 HydrophobicContact CD1-CB 4.1Å; T1332-E1335 WeakPolarHBondContact CA-OE2 3.45Å; T1332-E1335 PolarHBondContact O-N 3.28Å; E1335-W1337 VanDerWaalsContact C-N 3.35Å; E1335-W1337 PolarHBondContact O-N 2.91Å; E1335-F1338 PolarHBondContact O-N 3.32Å; E1335-M1339 PolarHBondContact O-N 2.93Å |
| 1336 | F | 94.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.009 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.6 | -42.5 | 176.7 | 179.5 | -91.1 | 0 | 0 | 0 | 111.7 | I1308 T1325 P1328 T1332 I1333 D1334 M1339 V1340 I1348 Y1364 I1508 | I1308-F1336 HydrophobicContact CD1-CB 4.42Å; T1325-F1336 HydrophobicContact CG2-CE2 4.13Å; P1328-F1336 HydrophobicContact CB-CB 4.48Å; P1328-F1336 HydrophobicContact CG-CB 4.04Å; P1328-F1336 HydrophobicContact CG-CD1 4.18Å; P1328-F1336 HydrophobicContact CG-CD2 3.56Å; P1328-F1336 HydrophobicContact CG-CE2 3.99Å; P1328-F1336 HydrophobicContact CG-CG 3.65Å; P1328-F1336 HydrophobicContact CG-CZ 4.47Å; T1332-F1336 WeakPolarHBondContact O-CB 3.26Å; T1332-F1336 PolarHBondContact O-N 2.84Å; I1333-F1336 WeakPolarHBondContact O-CB 3.33Å; I1333-F1336 PolarHBondContact O-N 3.39Å; D1334-F1336 VanDerWaalsContact C-N 3.31Å; D1334-F1336 PolarHBondContact O-N 3.34Å; F1336-M1339 HydrophobicContact CD2-CE 3.77Å; F1336-M1339 HydrophobicContact CE2-CE 4.03Å; F1336-M1339 WeakPolarHBondContact O-CB 3.39Å; F1336-M1339 PolarHBondContact O-N 3.17Å; F1336-V1340 HydrophobicContact CD1-CG2 4.19Å; F1336-V1340 HydrophobicContact CE1-CG2 3.8Å; F1336-V1340 HydrophobicContact CZ-CG2 4.18Å; F1336-V1340 WeakPolarHBondContact O-CG2 3.33Å; F1336-V1340 PolarHBondContact O-N 3.07Å; F1336-I1348 HydrophobicContact CE1-CD1 4.29Å; F1336-I1348 HydrophobicContact CZ-CD1 4.14Å; F1336-Y1364 AromaticContact CD1-CD2 3.97Å; F1336-Y1364 HydrophobicContact CD1-CD2 3.97Å; F1336-Y1364 HydrophobicContact CD1-CE2 4.46Å; F1336-Y1364 HydrophobicContact CD1-CG 4.46Å; F1336-Y1364 AromaticContact CE1-CD2 3.45Å; F1336-Y1364 HydrophobicContact CE1-CD2 3.45Å; F1336-Y1364 VanDerWaalsContact CE1-CD2 3.45Å; F1336-Y1364 AromaticContact CE1-CE2 3.51Å; F1336-Y1364 HydrophobicContact CE1-CE2 3.51Å; F1336-Y1364 HydrophobicContact CE1-CG 4.21Å; F1336-Y1364 HydrophobicContact CZ-CD2 4.12Å; F1336-Y1364 AromaticContact CZ-CE2 3.83Å; F1336-Y1364 HydrophobicContact CZ-CE2 3.83Å; F1336-I1508 HydrophobicContact CE2-CD1 4.44Å; F1336-I1508 HydrophobicContact CE2-CG2 4.43Å; F1336-I1508 HydrophobicContact CZ-CD1 4.38Å |
| 1337 | W | 93.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -77 | -28.4 | 177.8 | -73.5 | 114.5 | 0 | 0 | 0 | 113.7 | I1333 D1334 E1335 M1339 V1340 E1341 Y1364 F1405 I1410 I1412 L1441 I1443 | I1333-W1337 VanDerWaalsContact O-CD1 3.24Å; I1333-W1337 PolarHBondContact O-N 3.08Å; I1333-W1337 VanDerWaalsContact O-N 3.09Å; D1334-W1337 PolarHBondContact O-N 2.71Å; E1335-W1337 VanDerWaalsContact C-N 3.35Å; E1335-W1337 PolarHBondContact O-N 2.91Å; W1337-M1339 VanDerWaalsContact C-N 3.32Å; W1337-V1340 HydrophobicContact CE3-CB 3.81Å; W1337-V1340 HydrophobicContact CE3-CG1 3.78Å; W1337-V1340 HydrophobicContact CE3-CG2 4.06Å; W1337-V1340 HydrophobicContact CZ3-CB 4.19Å; W1337-V1340 HydrophobicContact CZ3-CG1 3.71Å; W1337-V1340 HydrophobicContact CZ3-CG2 4.27Å; W1337-V1340 PolarHBondContact O-N 2.87Å; W1337-E1341 WeakPolarHBondContact O-CB 3.25Å; W1337-E1341 PolarHBondContact O-N 2.9Å; W1337-E1341 VanDerWaalsContact O-N 3.09Å; W1337-Y1364 VanDerWaalsContact CE2-O 3.31Å; W1337-Y1364 AromaticContact CZ2-CD2 3.75Å; W1337-Y1364 HydrophobicContact CZ2-CD2 3.75Å; W1337-Y1364 HydrophobicContact CZ2-CE2 4.24Å; W1337-Y1364 WeakPolarHBondContact CZ2-O 3.37Å; W1337-Y1364 PolarHBondContact NE1-O 3.2Å; W1337-F1405 AromaticContact CD1-CD1 3.6Å; W1337-F1405 AromaticContact CD1-CG 3.97Å; W1337-F1405 HydrophobicContact CG-CB 4.42Å; W1337-F1405 AromaticContact NE1-CD1 3.75Å; W1337-F1405 AromaticContact NE1-CE1 3.93Å; W1337-I1410 HydrophobicContact CB-CD1 4.38Å; W1337-I1410 WeakPolarHBondContact O-CD1 3.33Å; W1337-I1412 HydrophobicContact CD2-CD1 3.18Å; W1337-I1412 HydrophobicContact CE3-CD1 3.42Å; W1337-I1412 VanDerWaalsContact CE3-CD1 3.42Å; W1337-I1412 HydrophobicContact CG-CD1 3.69Å; W1337-I1412 HydrophobicContact CH2-CD1 3.82Å; W1337-I1412 HydrophobicContact CH2-CG2 4.47Å; W1337-I1412 HydrophobicContact CZ2-CD1 3.58Å; W1337-I1412 HydrophobicContact CZ3-CD1 3.73Å; W1337-L1441 HydrophobicContact CH2-CD1 3.76Å; W1337-L1441 HydrophobicContact CZ2-CD1 4.38Å; W1337-I1443 HydrophobicContact CE3-CD1 4.19Å; W1337-I1443 HydrophobicContact CZ3-CD1 4.48Å |
| 1338 | F | 92 | Very high | 92.2 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 3% | 0.026 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.1 | -46.1 | 165.7 | -76.7 | -48.6 | 0 | 0 | 0 | 110.8 | L1285 R1287 T1289 D1334 E1335 E1341 E1342 A1406 I1410 | L1285-F1338 HydrophobicContact CD2-CB 4.34Å; R1287-F1338 HydrophobicContact CB-CD1 4.14Å; R1287-F1338 HydrophobicContact CB-CE1 4.17Å; R1287-F1338 HydrophobicContact CB-CG 4.41Å; R1287-F1338 HydrophobicContact CB-CZ 4.45Å; T1289-F1338 HydrophobicContact CG2-CD2 4.48Å; T1289-F1338 HydrophobicContact CG2-CE2 4.01Å; D1334-F1338 VanDerWaalsContact O-CD2 3.29Å; D1334-F1338 WeakPolarHBondContact O-CD2 3.29Å; D1334-F1338 PolarHBondContact O-N 3.37Å; E1335-F1338 PolarHBondContact O-N 3.32Å; F1338-E1341 PolarHBondContact O-N 2.84Å; F1338-E1342 WeakPolarHBondContact O-CB 3.46Å; F1338-E1342 VanDerWaalsContact O-CG 3.3Å; F1338-E1342 WeakPolarHBondContact O-CG 3.47Å; F1338-E1342 PolarHBondContact O-N 2.93Å; F1338-A1406 HydrophobicContact CD1-CB 3.9Å; F1338-A1406 HydrophobicContact CD2-CB 4.24Å; F1338-A1406 HydrophobicContact CE1-CB 3.57Å; F1338-A1406 HydrophobicContact CE2-CB 3.94Å; F1338-A1406 HydrophobicContact CG-CB 4.23Å; F1338-A1406 HydrophobicContact CZ-CB 3.59Å; F1338-I1410 HydrophobicContact CD1-CD1 4.17Å |
| 1339 | M | 93.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.7 | -48.9 | 175.5 | -179.2 | 175.9 | 65.7 | 0 | 0 | 112.3 | V1283 L1285 I1308 A1310 I1323 T1325 E1335 F1336 W1337 E1341 E1343 I1508 | V1283-M1339 HydrophobicContact CB-SD 4.34Å; V1283-M1339 HydrophobicContact CG1-CG 3.99Å; V1283-M1339 HydrophobicContact CG1-SD 4.05Å; V1283-M1339 HydrophobicContact CG2-SD 4.11Å; L1285-M1339 HydrophobicContact CD2-CB 3.89Å; I1308-M1339 HydrophobicContact CD1-CE 4.07Å; I1308-M1339 HydrophobicContact CD1-SD 4.2Å; I1308-M1339 HydrophobicContact CG2-SD 4.47Å; A1310-M1339 HydrophobicContact CB-CE 4.41Å; A1310-M1339 HydrophobicContact CB-SD 3.64Å; I1323-M1339 HydrophobicContact CD1-CG 4.4Å; I1323-M1339 HydrophobicContact CG2-CE 4.27Å; I1323-M1339 HydrophobicContact CG2-SD 3.76Å; T1325-M1339 HydrophobicContact CG2-CE 4.32Å; E1335-M1339 PolarHBondContact O-N 2.93Å; F1336-M1339 HydrophobicContact CD2-CE 3.77Å; F1336-M1339 HydrophobicContact CE2-CE 4.03Å; F1336-M1339 WeakPolarHBondContact O-CB 3.39Å; F1336-M1339 PolarHBondContact O-N 3.17Å; W1337-M1339 VanDerWaalsContact C-N 3.32Å; M1339-E1341 VanDerWaalsContact C-N 3.26Å; M1339-E1341 PolarHBondContact O-N 3.37Å; M1339-E1343 HydrophobicContact CG-CG 4.32Å; M1339-E1343 VanDerWaalsContact O-CB 3.25Å; M1339-E1343 WeakPolarHBondContact O-CB 3.37Å; M1339-E1343 VanDerWaalsContact O-CG 3.3Å; M1339-E1343 WeakPolarHBondContact O-CG 3.16Å; M1339-E1343 PolarHBondContact O-N 3.39Å; M1339-I1508 HydrophobicContact CE-CD1 3.82Å |
| 1340 | V | 93.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.2 | -35.5 | -179.6 | 168.6 | 0 | 0 | 0 | 0 | 112.7 | F1336 W1337 Q1344 V1345 I1348 I1443 R1467 V1469 I1508 | F1336-V1340 HydrophobicContact CD1-CG2 4.19Å; F1336-V1340 HydrophobicContact CE1-CG2 3.8Å; F1336-V1340 HydrophobicContact CZ-CG2 4.18Å; F1336-V1340 WeakPolarHBondContact O-CG2 3.33Å; F1336-V1340 PolarHBondContact O-N 3.07Å; W1337-V1340 HydrophobicContact CE3-CB 3.81Å; W1337-V1340 HydrophobicContact CE3-CG1 3.78Å; W1337-V1340 HydrophobicContact CE3-CG2 4.06Å; W1337-V1340 HydrophobicContact CZ3-CB 4.19Å; W1337-V1340 HydrophobicContact CZ3-CG1 3.71Å; W1337-V1340 HydrophobicContact CZ3-CG2 4.27Å; W1337-V1340 PolarHBondContact O-N 2.87Å; V1340-Q1344 PolarHBondContact O-N 3.45Å; V1340-V1345 HydrophobicContact CB-CB 4.48Å; V1340-V1345 HydrophobicContact CG1-CB 4.15Å; V1340-V1345 PolarHBondContact O-N 2.88Å; V1340-I1348 HydrophobicContact CG2-CD1 4.08Å; V1340-I1443 HydrophobicContact CG1-CD1 4.22Å; V1340-R1467 PolarHBondContact O-NH2 3Å; V1340-V1469 HydrophobicContact CG1-CG2 4.44Å; V1340-I1508 HydrophobicContact CG2-CD1 3.64Å |
| 1341 | E | 89.7 | Confident | 92.7 | Very high | 16 Ų | 16 | 18.8 Ų | 18.8 | 8% | 0.075 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -81.1 | -47.8 | -180 | 177.4 | 61.3 | -176.1 | 0 | 0 | 112.5 | W1337 F1338 M1339 E1343 Q1344 I1410 I1443 Q1445 R1467 | W1337-E1341 WeakPolarHBondContact O-CB 3.25Å; W1337-E1341 PolarHBondContact O-N 2.9Å; W1337-E1341 VanDerWaalsContact O-N 3.09Å; F1338-E1341 PolarHBondContact O-N 2.84Å; M1339-E1341 VanDerWaalsContact C-N 3.26Å; M1339-E1341 PolarHBondContact O-N 3.37Å; E1341-E1343 VanDerWaalsContact C-N 3.31Å; E1341-E1343 PolarHBondContact O-N 2.85Å; E1341-Q1344 PolarHBondContact O-N 2.87Å; E1341-Q1344 PolarHBondContact O-NE2 3.16Å; E1341-I1410 HydrophobicContact CB-CD1 3.74Å; E1341-I1410 HydrophobicContact CG-CD1 4.09Å; E1341-I1443 HydrophobicContact CB-CD1 4.08Å; E1341-Q1445 WeakPolarHBondContact OE1-CG 3.47Å; E1341-Q1445 PolarHBondContact OE1-NE2 3.04Å; E1341-R1467 IonicContact OE2-NH2 3.76Å |
| 1342 | E | 90 | Very high | 92.9 | Very high | 42 Ų | 42 | 16.4 Ų | 16.4 | 20% | 0.196 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.3 | -41.8 | -179.9 | -71.9 | -178.1 | -171.8 | 0 | 0 | 111.2 | H1286 R1287 F1338 Q1344 | H1286-E1342 IonicContact CG-OE2 3.3Å; H1286-E1342 PolarHBondContact N-OE2 3.09Å; H1286-E1342 IonicContact ND1-OE2 3.2Å; H1286-E1342 PolarHBondContact ND1-OE2 2.97Å; R1287-E1342 WeakPolarHBondContact CB-OE1 2.84Å; R1287-E1342 WeakPolarHBondContact CD-OE1 3.41Å; R1287-E1342 VanDerWaalsContact CG-OE1 3.26Å; R1287-E1342 WeakPolarHBondContact CG-OE1 3.39Å; R1287-E1342 PolarHBondContact N-OE1 2.83Å; F1338-E1342 WeakPolarHBondContact O-CB 3.46Å; F1338-E1342 VanDerWaalsContact O-CG 3.3Å; F1338-E1342 WeakPolarHBondContact O-CG 3.47Å; F1338-E1342 PolarHBondContact O-N 2.93Å; E1342-Q1344 VanDerWaalsContact C-N 3.3Å; E1342-Q1344 PolarHBondContact O-N 2.9Å |
| 1343 | E | 90.6 | Very high | 92.7 | Very high | 45 Ų | 45 | 16.1 Ų | 16.1 | 21% | 0.21 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -0.2 | 179.9 | -58.6 | -60.6 | 129 | 0 | 0 | 113.3 | Y1312 I1323 M1339 E1341 V1345 P1506 | Y1312-E1343 WeakPolarHBondContact CE1-OE2 3.22Å; Y1312-E1343 PolarHBondContact OH-OE1 2.89Å; Y1312-E1343 PolarHBondContact OH-OE2 3.44Å; I1323-E1343 HydrophobicContact CD1-CB 4.15Å; I1323-E1343 HydrophobicContact CD1-CG 3.91Å; M1339-E1343 HydrophobicContact CG-CG 4.32Å; M1339-E1343 VanDerWaalsContact O-CB 3.25Å; M1339-E1343 WeakPolarHBondContact O-CB 3.37Å; M1339-E1343 VanDerWaalsContact O-CG 3.3Å; M1339-E1343 WeakPolarHBondContact O-CG 3.16Å; M1339-E1343 PolarHBondContact O-N 3.39Å; E1341-E1343 VanDerWaalsContact C-N 3.31Å; E1341-E1343 PolarHBondContact O-N 2.85Å; E1343-V1345 VanDerWaalsContact C-N 3.27Å; E1343-V1345 HydrophobicContact CB-CG2 3.9Å; E1343-V1345 PolarHBondContact O-N 2.9Å; E1343-P1506 HydrophobicContact CB-CG 3.93Å; E1343-P1506 WeakPolarHBondContact O-CD 3.49Å |
| 1344 | Q | 90.9 | Very high | 92.3 | Very high | 96 Ų | 96 | 19.9 Ų | 19.9 | 45% | 0.449 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 38.4 | -178.2 | -61.5 | -65 | -42.8 | 0 | 0 | 113.9 | V1340 E1341 E1342 S1346 | V1340-Q1344 PolarHBondContact O-N 3.45Å; E1341-Q1344 PolarHBondContact O-N 2.87Å; E1341-Q1344 PolarHBondContact O-NE2 3.16Å; E1342-Q1344 VanDerWaalsContact C-N 3.3Å; E1342-Q1344 PolarHBondContact O-N 2.9Å; Q1344-S1346 PolarHBondContact O-N 2.9Å |
| 1345 | V | 93.4 | Very high | 92 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -67.2 | 122.3 | -175.9 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | I1323 V1340 E1343 C1347 I1348 R1467 V1469 P1506 I1508 | I1323-V1345 HydrophobicContact CD1-CG2 4.32Å; V1340-V1345 HydrophobicContact CB-CB 4.48Å; V1340-V1345 HydrophobicContact CG1-CB 4.15Å; V1340-V1345 PolarHBondContact O-N 2.88Å; E1343-V1345 VanDerWaalsContact C-N 3.27Å; E1343-V1345 HydrophobicContact CB-CG2 3.9Å; E1343-V1345 PolarHBondContact O-N 2.9Å; V1345-C1347 WeakPolarHBondContact CG1-O 3.49Å; V1345-I1348 HydrophobicContact CG1-CG1 3.92Å; V1345-R1467 VanDerWaalsContact C-NH1 3.27Å; V1345-R1467 PolarHBondContact O-NH1 2.82Å; V1345-V1469 WeakPolarHBondContact O-CG2 3.4Å; V1345-P1506 HydrophobicContact CG2-CG 3.93Å; V1345-I1508 HydrophobicContact CB-CD1 4.23Å; V1345-I1508 HydrophobicContact CG1-CB 4.42Å; V1345-I1508 HydrophobicContact CG1-CD1 3.81Å; V1345-I1508 HydrophobicContact CG1-CG1 3.86Å; V1345-I1508 HydrophobicContact CG2-CD1 3.87Å; V1345-I1508 HydrophobicContact CG2-CG1 3.95Å | ||
| 1346 | S | 92.9 | Very high | 91.8 | Very high | 21 Ų | 21 | 17.8 Ų | 17.8 | 15% | 0.147 | 9% | 0.086 | C | C | . | . | trans | -101.8 | -15.9 | 179 | 61 | 0 | 0 | 0 | 0 | 114 | Q1344 V1469 S1470 G1503 | Q1344-S1346 PolarHBondContact O-N 2.9Å; S1346-V1469 WeakPolarHBondContact O-CA 3.29Å; S1346-S1470 PolarHBondContact O-N 3.45Å; S1346-G1503 WeakPolarHBondContact OG-CA 3.14Å; S1346-G1503 PolarHBondContact OG-N 3.03Å | ||
| 1347 | C | 95.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.014 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 131.6 | -173.7 | -169.4 | 0 | 0 | 0 | 0 | 111 | V1345 S1470 R1502 L1507 I1508 | V1345-C1347 WeakPolarHBondContact CG1-O 3.49Å; C1347-S1470 CarbonylContact C-O 3.53Å; C1347-S1470 WeakPolarHBondContact CA-O 3.48Å; C1347-R1502 HydrophobicContact CB-CB 4.27Å; C1347-L1507 HydrophobicContact CB-CD1 3.81Å; C1347-L1507 VanDerWaalsContact SG-CD1 3.55Å; C1347-I1508 PolarHBondContact O-N 3.46Å; C1347-I1508 VanDerWaalsContact O-N 3.11Å |
| 1348 | I | 97.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 136.7 | 179.4 | -53.4 | 177.8 | 0 | 0 | 0 | 108.4 | F1336 V1340 V1345 V1469 S1470 V1471 F1472 I1508 | F1336-I1348 HydrophobicContact CE1-CD1 4.29Å; F1336-I1348 HydrophobicContact CZ-CD1 4.14Å; V1340-I1348 HydrophobicContact CG2-CD1 4.08Å; V1345-I1348 HydrophobicContact CG1-CG1 3.92Å; I1348-V1469 HydrophobicContact CD1-CG1 3.87Å; I1348-V1469 HydrophobicContact CG1-CG1 4.09Å; I1348-S1470 PolarHBondContact N-O 2.81Å; I1348-V1471 HydrophobicContact CB-CB 4.47Å; I1348-V1471 HydrophobicContact CB-CG1 4.2Å; I1348-V1471 HydrophobicContact CB-CG2 4.18Å; I1348-V1471 HydrophobicContact CD1-CG2 4.26Å; I1348-V1471 HydrophobicContact CG2-CG1 4.25Å; I1348-V1471 CarbonylContact O-C 3.37Å; I1348-V1471 VanDerWaalsContact O-CA 3.3Å; I1348-V1471 WeakPolarHBondContact O-CA 3.32Å; I1348-F1472 PolarHBondContact O-N 2.67Å; I1348-I1508 CarbonylContact C-O 3.6Å; I1348-I1508 WeakPolarHBondContact CA-O 3.35Å; I1348-I1508 HydrophobicContact CB-CB 4.41Å; I1348-I1508 HydrophobicContact CG1-CB 4.18Å; I1348-I1508 HydrophobicContact CG1-CD1 4.41Å; I1348-I1508 HydrophobicContact CG2-CB 4.13Å; I1348-I1508 HydrophobicContact CG2-CG2 3.92Å |
| 1349 | I | 97 | Very high | 90.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 120.8 | 173.5 | -55.4 | 176.5 | 0 | 0 | 0 | 109.4 | M1351 F1472 L1494 V1498 L1507 I1508 I1509 H1510 L1521 | I1349-M1351 HydrophobicContact CG2-CG 4.08Å; I1349-M1351 HydrophobicContact CG2-SD 3.73Å; I1349-F1472 WeakPolarHBondContact CA-O 3.03Å; I1349-L1494 HydrophobicContact CG2-CD2 4.06Å; I1349-V1498 HydrophobicContact CD1-CG1 4.3Å; I1349-V1498 HydrophobicContact CD1-CG2 3.74Å; I1349-V1498 HydrophobicContact CG1-CG2 4.23Å; I1349-L1507 HydrophobicContact CD1-CD1 4Å; I1349-L1507 HydrophobicContact CD1-CD2 4.03Å; I1349-L1507 HydrophobicContact CD1-CG 4.39Å; I1349-L1507 HydrophobicContact CG1-CD1 4.01Å; I1349-I1508 PolarHBondContact N-O 2.94Å; I1349-I1509 HydrophobicContact CB-CG1 4.49Å; I1349-I1509 HydrophobicContact CB-CG2 4.38Å; I1349-I1509 HydrophobicContact CD1-CG1 4.38Å; I1349-H1510 PolarHBondContact O-CD2 2.96Å; I1349-H1510 PolarHBondContact O-N 3Å; I1349-L1521 HydrophobicContact CB-CD2 4.35Å; I1349-L1521 HydrophobicContact CD1-CD2 3.75Å; I1349-L1521 HydrophobicContact CG2-CD2 3.72Å |
| 1350 | D | 95.6 | Very high | 90 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 108.5 | 171.7 | 172 | 20.7 | 0 | 0 | 0 | 109.7 | Q1352 P1353 Y1356 F1472 H1473 F1474 H1510 | D1350-Q1352 VanDerWaalsContact C-N 3.34Å; D1350-Q1352 PolarHBondContact OD1-N 3.15Å; D1350-P1353 VanDerWaalsContact OD2-CA 3.27Å; D1350-P1353 WeakPolarHBondContact OD2-CA 3.36Å; D1350-P1353 VanDerWaalsContact OD2-CB 3.26Å; D1350-P1353 WeakPolarHBondContact OD2-CB 3.45Å; D1350-Y1356 PolarHBondContact OD2-OH 3.24Å; D1350-F1472 PolarHBondContact N-O 2.89Å; D1350-H1473 IonicContact OD2-CE1 3.89Å; D1350-H1473 IonicContact OD2-CG 3.06Å; D1350-H1473 IonicContact OD2-ND1 2.78Å; D1350-H1473 PolarHBondContact OD2-ND1 3.48Å; D1350-F1474 PolarHBondContact O-N 2.93Å; D1350-H1510 WeakPolarHBondContact CB-NE2 3.35Å; D1350-H1510 IonicContact OD1-CE1 3.24Å; D1350-H1510 PolarHBondContact OD1-CE1 3.03Å; D1350-H1510 VanDerWaalsContact OD1-CE1 3.25Å; D1350-H1510 IonicContact OD1-ND1 2.82Å; D1350-H1510 IonicContact OD1-NE2 3.42Å |
| 1351 | M | 94.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -86.7 | -3.3 | -178.6 | -69 | -59 | -78.1 | 0 | 0 | 114 | I1349 F1474 W1478 I1491 L1494 I1509 H1510 C1511 R1517 L1521 | I1349-M1351 HydrophobicContact CG2-CG 4.08Å; I1349-M1351 HydrophobicContact CG2-SD 3.73Å; M1351-F1474 HydrophobicContact CE-CB 4.5Å; M1351-F1474 HydrophobicContact CE-CD1 3.88Å; M1351-F1474 HydrophobicContact CE-CE1 4.32Å; M1351-F1474 HydrophobicContact CE-CG 4.15Å; M1351-F1474 HydrophobicContact SD-CB 3.72Å; M1351-F1474 HydrophobicContact SD-CD1 4.2Å; M1351-F1474 HydrophobicContact SD-CG 4Å; M1351-W1478 HydrophobicContact CB-CZ2 4.32Å; M1351-W1478 HydrophobicContact CE-CH2 3.87Å; M1351-W1478 HydrophobicContact CE-CZ2 3.47Å; M1351-W1478 VanDerWaalsContact CE-CZ2 3.47Å; M1351-W1478 PolarHBondContact O-NE1 2.82Å; M1351-I1491 HydrophobicContact CE-CD1 3.86Å; M1351-L1494 HydrophobicContact SD-CD2 4.15Å; M1351-I1509 HydrophobicContact CG-CG2 4.16Å; M1351-H1510 PolarHBondContact N-O 3.44Å; M1351-C1511 HydrophobicContact CB-CB 4.18Å; M1351-R1517 HydrophobicContact CB-CB 4.14Å; M1351-L1521 HydrophobicContact CE-CB 3.92Å; M1351-L1521 HydrophobicContact CE-CD1 4.12Å; M1351-L1521 HydrophobicContact CE-CD2 4.22Å; M1351-L1521 HydrophobicContact CE-CG 4.3Å; M1351-L1521 HydrophobicContact CG-CB 4.43Å; M1351-L1521 HydrophobicContact CG-CD2 4.1Å; M1351-L1521 HydrophobicContact SD-CB 4.35Å; M1351-L1521 HydrophobicContact SD-CD1 4.47Å; M1351-L1521 HydrophobicContact SD-CD2 3.66Å; M1351-L1521 HydrophobicContact SD-CG 4.37Å |
| 1352 | Q | 90.8 | Very high | 89.8 | Confident | 21 Ų | 21 | 33.6 Ų | 33.6 | 10% | 0.098 | 18% | 0.177 | C | C | . | . | trans | -147.3 | 58.9 | -173.6 | -166.3 | 167.4 | -2.6 | 0 | 0 | 112.9 | D1350 F1354 S1355 C1511 L1512 R1517 | D1350-Q1352 VanDerWaalsContact C-N 3.34Å; D1350-Q1352 PolarHBondContact OD1-N 3.15Å; Q1352-F1354 PolarHBondContact O-N 3.15Å; Q1352-F1354 VanDerWaalsContact O-N 3.14Å; Q1352-S1355 VanDerWaalsContact CG-OG 3.22Å; Q1352-S1355 WeakPolarHBondContact CG-OG 3.39Å; Q1352-S1355 PolarHBondContact NE2-OG 3.44Å; Q1352-S1355 PolarHBondContact O-N 3.36Å; Q1352-C1511 HydrophobicContact CB-CB 4.25Å; Q1352-L1512 VanDerWaalsContact OE1-CB 3.23Å; Q1352-L1512 VanDerWaalsContact OE1-N 3.15Å; Q1352-R1517 VanDerWaalsContact CD-NH1 3.29Å; Q1352-R1517 VanDerWaalsContact CG-NH1 3.33Å | ||
| 1353 | P | 87.5 | Confident | 89.8 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -66.3 | -16.7 | -176.5 | 25.2 | -34.9 | 0 | 0 | 0 | 114.6 | D1350 Y1356 M1377 F1378 H1473 F1474 T1475 | D1350-P1353 VanDerWaalsContact OD2-CA 3.27Å; D1350-P1353 WeakPolarHBondContact OD2-CA 3.36Å; D1350-P1353 VanDerWaalsContact OD2-CB 3.26Å; D1350-P1353 WeakPolarHBondContact OD2-CB 3.45Å; P1353-Y1356 HydrophobicContact CB-CE2 4.29Å; P1353-Y1356 WeakPolarHBondContact O-CD2 3.33Å; P1353-Y1356 VanDerWaalsContact O-CE2 3.28Å; P1353-Y1356 WeakPolarHBondContact O-CE2 3.4Å; P1353-M1377 HydrophobicContact CB-SD 4.42Å; P1353-F1378 HydrophobicContact CB-CD2 4.09Å; P1353-F1378 HydrophobicContact CB-CE2 3.68Å; P1353-F1378 HydrophobicContact CG-CD2 4.27Å; P1353-F1378 HydrophobicContact CG-CE2 3.82Å; P1353-H1473 HydrophobicContact CB-CB 4.22Å; P1353-H1473 HydrophobicContact CG-CB 4.3Å; P1353-F1474 WeakPolarHBondContact CD-O 3.22Å; P1353-F1474 WeakPolarHBondContact CG-O 3.48Å; P1353-T1475 HydrophobicContact CG-CG2 3.89Å |
| 1354 | F | 84.5 | Confident | 89.8 | Confident | 96 Ų | 96 | 30.6 Ų | 30.6 | 42% | 0.421 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -82.5 | -11.3 | -179.5 | -60.8 | -80.9 | 0 | 0 | 0 | 113.8 | Q1352 F1378 T1475 | Q1352-F1354 PolarHBondContact O-N 3.15Å; Q1352-F1354 VanDerWaalsContact O-N 3.14Å; F1354-F1378 HydrophobicContact CD1-CB 3.8Å; F1354-F1378 HydrophobicContact CD1-CD2 4.04Å; F1354-F1378 HydrophobicContact CD1-CG 4.4Å; F1354-F1378 HydrophobicContact CE1-CB 3.4Å; F1354-F1378 VanDerWaalsContact CE1-CB 3.4Å; F1354-F1378 AromaticContact CE1-CD2 3.66Å; F1354-F1378 HydrophobicContact CE1-CD2 3.66Å; F1354-F1378 AromaticContact CE1-CG 3.87Å; F1354-F1378 HydrophobicContact CE1-CG 3.87Å; F1354-F1378 HydrophobicContact CZ-CB 4.35Å; F1354-F1378 AromaticContact CZ-CD2 3.92Å; F1354-F1378 HydrophobicContact CZ-CD2 3.92Å; F1354-F1378 HydrophobicContact CZ-CG 4.4Å; F1354-T1475 HydrophobicContact CE2-CG2 3.81Å; F1354-T1475 HydrophobicContact CZ-CG2 3.76Å |
| 1355 | S | 83.4 | Confident | 89.8 | Confident | 21 Ų | 21 | 26.4 Ų | 26.4 | 15% | 0.147 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -93 | 4.3 | -173.8 | -63.8 | 0 | 0 | 0 | 0 | 114.7 | Q1352 G1357 V1358 A1361 | Q1352-S1355 VanDerWaalsContact CG-OG 3.22Å; Q1352-S1355 WeakPolarHBondContact CG-OG 3.39Å; Q1352-S1355 PolarHBondContact NE2-OG 3.44Å; Q1352-S1355 PolarHBondContact O-N 3.36Å; S1355-G1357 PolarHBondContact O-N 3.26Å; S1355-V1358 WeakPolarHBondContact O-CB 3.38Å; S1355-V1358 PolarHBondContact O-N 3.19Å; S1355-A1361 WeakPolarHBondContact O-CB 3.37Å |
| 1356 | Y | 86.4 | Confident | 89.4 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 131.5 | 171.8 | -57.8 | -59.6 | 0 | 0 | 0 | 110.5 | T1327 D1350 P1353 V1362 R1363 W1365 Y1375 P1376 M1377 | T1327-Y1356 HydrophobicContact CG2-CD1 4.22Å; T1327-Y1356 HydrophobicContact CG2-CE1 3.69Å; D1350-Y1356 PolarHBondContact OD2-OH 3.24Å; P1353-Y1356 HydrophobicContact CB-CE2 4.29Å; P1353-Y1356 WeakPolarHBondContact O-CD2 3.33Å; P1353-Y1356 VanDerWaalsContact O-CE2 3.28Å; P1353-Y1356 WeakPolarHBondContact O-CE2 3.4Å; Y1356-V1362 VanDerWaalsContact CD1-C 3.44Å; Y1356-V1362 WeakPolarHBondContact CD1-O 3.48Å; Y1356-V1362 WeakPolarHBondContact CE1-O 3.39Å; Y1356-R1363 HydrophobicContact CD1-CG 4.28Å; Y1356-R1363 HydrophobicContact CD2-CG 4.03Å; Y1356-R1363 HydrophobicContact CG-CG 3.9Å; Y1356-W1365 HydrophobicContact CD2-CH2 4.43Å; Y1356-W1365 HydrophobicContact CE1-CH2 4.45Å; Y1356-W1365 HydrophobicContact CE1-CZ3 4.49Å; Y1356-W1365 AromaticContact CE2-CH2 3.59Å; Y1356-W1365 HydrophobicContact CE2-CH2 3.59Å; Y1356-W1365 HydrophobicContact CE2-CZ3 4.3Å; Y1356-W1365 AromaticContact CZ-CH2 3.59Å; Y1356-W1365 AromaticContact CZ-CZ3 3.82Å; Y1356-W1365 WeakPolarHBondContact OH-CH2 3.46Å; Y1356-W1365 VanDerWaalsContact OH-CZ3 3.31Å; Y1356-W1365 WeakPolarHBondContact OH-CZ3 3.43Å; Y1356-Y1375 WeakPolarHBondContact CB-O 3.36Å; Y1356-Y1375 CarbonylContact O-C 3.51Å; Y1356-P1376 WeakPolarHBondContact O-CA 3.16Å; Y1356-M1377 HydrophobicContact CD2-CB 3.83Å; Y1356-M1377 HydrophobicContact CE2-CB 4.06Å; Y1356-M1377 HydrophobicContact CE2-SD 4.42Å |
| 1357 | G | 82.5 | Confident | 88.8 | Confident | 42 Ų | 42 | 28 Ų | 28 | 43% | 0.433 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95.2 | -16.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S1355 A1361 S1374 | S1355-G1357 PolarHBondContact O-N 3.26Å; G1357-A1361 PolarHBondContact N-O 2.94Å; G1357-S1374 WeakPolarHBondContact CA-O 3.4Å; G1357-S1374 PolarHBondContact N-O 2.94Å |
| 1358 | V | 83.6 | Confident | 87.6 | Confident | 71 Ų | 71 | 34.5 Ų | 34.5 | 43% | 0.43 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -95.6 | 132.8 | 178.9 | -175.6 | 0 | 0 | 0 | 0 | 109 | S1355 E1360 A1361 | S1355-V1358 WeakPolarHBondContact O-CB 3.38Å; S1355-V1358 PolarHBondContact O-N 3.19Å; V1358-E1360 VanDerWaalsContact C-N 3.26Å; V1358-E1360 PolarHBondContact O-N 2.73Å; V1358-E1360 VanDerWaalsContact O-N 3.15Å; V1358-A1361 VanDerWaalsContact O-CB 3.25Å; V1358-A1361 WeakPolarHBondContact O-CB 3.21Å; V1358-A1361 PolarHBondContact O-N 3.15Å |
| 1359 | E | 84.9 | Confident | 86.1 | Confident | 105 Ų | 105 | 41.2 Ų | 41.2 | 49% | 0.491 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 40.3 | 173.5 | -65.9 | 174 | -174.2 | 0 | 0 | 114.1 | R1268 Y1269 A1361 | R1268-E1359 PolarHBondContact NH1-O 3.24Å; Y1269-E1359 WeakPolarHBondContact CE1-OE2 3.28Å; Y1269-E1359 VanDerWaalsContact CZ-OE2 3.26Å; Y1269-E1359 PolarHBondContact OH-OE2 3.1Å; E1359-A1361 VanDerWaalsContact C-N 3.29Å; E1359-A1361 PolarHBondContact O-N 2.93Å |
| 1360 | E | 86.3 | Confident | 84.8 | Confident | 131 Ų | 131 | 45.4 Ų | 45.4 | 61% | 0.612 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 16.3 | -177.2 | -47.7 | -172.5 | 164.5 | 0 | 0 | 115.8 | R1268 L1329 V1358 | R1268-E1360 PolarHBondContact NH1-O 3.08Å; R1268-E1360 VanDerWaalsContact NH1-O 3.16Å; L1329-E1360 HydrophobicContact CD2-CB 4.44Å; V1358-E1360 VanDerWaalsContact C-N 3.26Å; V1358-E1360 PolarHBondContact O-N 2.73Å; V1358-E1360 VanDerWaalsContact O-N 3.15Å |
| 1361 | A | 89.1 | Confident | 83.8 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -72.1 | 131 | 171 | 0 | 0 | 0 | 0 | 0 | 110.5 | T1327 S1355 G1357 V1358 E1359 L1512 | T1327-A1361 HydrophobicContact CG2-CB 4.07Å; S1355-A1361 WeakPolarHBondContact O-CB 3.37Å; G1357-A1361 PolarHBondContact N-O 2.94Å; V1358-A1361 VanDerWaalsContact O-CB 3.25Å; V1358-A1361 WeakPolarHBondContact O-CB 3.21Å; V1358-A1361 PolarHBondContact O-N 3.15Å; E1359-A1361 VanDerWaalsContact C-N 3.29Å; E1359-A1361 PolarHBondContact O-N 2.93Å; A1361-L1512 HydrophobicContact CB-CD1 3.56Å |
| 1362 | V | 90.1 | Very high | 82.9 | Confident | 8 Ų | 8 | 52 Ų | 52 | 5% | 0.048 | 29% | 0.294 | C | S | . | . | trans | -128 | 151.4 | -176 | -69.2 | 0 | 0 | 0 | 0 | 111.6 | P1328 L1329 K1330 I1333 Y1356 I1373 | P1328-V1362 WeakPolarHBondContact O-CG2 3.39Å; P1328-V1362 PolarHBondContact O-N 3.13Å; L1329-V1362 VanDerWaalsContact C-CG2 3.47Å; K1330-V1362 HydrophobicContact CB-CG1 4.17Å; I1333-V1362 HydrophobicContact CD1-CG2 3.94Å; I1333-V1362 HydrophobicContact CG1-CG2 4.1Å; Y1356-V1362 VanDerWaalsContact CD1-C 3.44Å; Y1356-V1362 WeakPolarHBondContact CD1-O 3.48Å; Y1356-V1362 WeakPolarHBondContact CE1-O 3.39Å; V1362-I1373 HydrophobicContact CB-CD1 4.47Å; V1362-I1373 HydrophobicContact CB-CG1 4.11Å | ||
| 1363 | R | 89.4 | Confident | 82.3 | Confident | 22 Ų | 22 | 53.8 Ų | 53.8 | 8% | 0.083 | 30% | 0.304 | C | S | . | . | trans | -68.3 | 133.5 | 167.4 | -56.6 | 175.8 | -162.4 | -176.8 | 4.1 | 108.5 | Y1356 W1365 L1367 E1371 I1373 Y1375 P1376 | Y1356-R1363 HydrophobicContact CD1-CG 4.28Å; Y1356-R1363 HydrophobicContact CD2-CG 4.03Å; Y1356-R1363 HydrophobicContact CG-CG 3.9Å; R1363-W1365 HydrophobicContact CB-CH2 4.09Å; R1363-W1365 HydrophobicContact CB-CZ2 3.96Å; R1363-W1365 HydrophobicContact CB-CZ3 4.38Å; R1363-W1365 HydrophobicContact CG-CH2 4.1Å; R1363-W1365 HydrophobicContact CG-CZ2 3.95Å; R1363-L1367 HydrophobicContact CB-CD2 3.85Å; R1363-L1367 HydrophobicContact CG-CD2 4.39Å; R1363-E1371 IonicContact NH1-OE2 3.41Å; R1363-I1373 HydrophobicContact CB-CG1 4.39Å; R1363-I1373 PolarHBondContact N-O 3.39Å; R1363-I1373 VanDerWaalsContact N-O 3.16Å; R1363-I1373 WeakPolarHBondContact O-CD1 3.24Å; R1363-I1373 VanDerWaalsContact O-CG1 3.25Å; R1363-I1373 WeakPolarHBondContact O-CG1 3.46Å; R1363-Y1375 VanDerWaalsContact CZ-O 3.25Å; R1363-Y1375 PolarHBondContact NE-O 3.3Å; R1363-Y1375 VanDerWaalsContact NH2-C 3.34Å; R1363-Y1375 PolarHBondContact NH2-O 3.09Å; R1363-P1376 PolarHBondContact NH2-O 3.48Å | ||
| 1364 | Y | 91.1 | Very high | 81.9 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | trans | -112.2 | 9 | -170.5 | 58.3 | -93.6 | 0 | 0 | 0 | 113.9 | P1328 F1336 W1337 V1471 H1510 | P1328-Y1364 HydrophobicContact CG-CD1 3.82Å; P1328-Y1364 HydrophobicContact CG-CG 3.92Å; F1336-Y1364 AromaticContact CD1-CD2 3.97Å; F1336-Y1364 HydrophobicContact CD1-CD2 3.97Å; F1336-Y1364 HydrophobicContact CD1-CE2 4.46Å; F1336-Y1364 HydrophobicContact CD1-CG 4.46Å; F1336-Y1364 AromaticContact CE1-CD2 3.45Å; F1336-Y1364 HydrophobicContact CE1-CD2 3.45Å; F1336-Y1364 VanDerWaalsContact CE1-CD2 3.45Å; F1336-Y1364 AromaticContact CE1-CE2 3.51Å; F1336-Y1364 HydrophobicContact CE1-CE2 3.51Å; F1336-Y1364 HydrophobicContact CE1-CG 4.21Å; F1336-Y1364 HydrophobicContact CZ-CD2 4.12Å; F1336-Y1364 AromaticContact CZ-CE2 3.83Å; F1336-Y1364 HydrophobicContact CZ-CE2 3.83Å; W1337-Y1364 VanDerWaalsContact CE2-O 3.31Å; W1337-Y1364 AromaticContact CZ2-CD2 3.75Å; W1337-Y1364 HydrophobicContact CZ2-CD2 3.75Å; W1337-Y1364 HydrophobicContact CZ2-CE2 4.24Å; W1337-Y1364 WeakPolarHBondContact CZ2-O 3.37Å; W1337-Y1364 PolarHBondContact NE1-O 3.2Å; Y1364-V1471 WeakPolarHBondContact OH-CG1 3.37Å; Y1364-H1510 AromaticContact CE1-CE1 3.88Å; Y1364-H1510 AromaticContact CE1-NE2 3.57Å; Y1364-H1510 AromaticContact CZ-NE2 3.74Å; Y1364-H1510 PolarHBondContact OH-NE2 3.45Å | ||
| 1365 | W | 89.6 | Confident | 81.6 | Confident | 8 Ų | 8 | 58.4 Ų | 58.4 | 3% | 0.03 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -116.8 | 170.5 | -178.5 | 58.9 | 84.3 | 0 | 0 | 0 | 111.5 | Y1356 R1363 L1367 M1377 L1441 H1473 | Y1356-W1365 HydrophobicContact CD2-CH2 4.43Å; Y1356-W1365 HydrophobicContact CE1-CH2 4.45Å; Y1356-W1365 HydrophobicContact CE1-CZ3 4.49Å; Y1356-W1365 AromaticContact CE2-CH2 3.59Å; Y1356-W1365 HydrophobicContact CE2-CH2 3.59Å; Y1356-W1365 HydrophobicContact CE2-CZ3 4.3Å; Y1356-W1365 AromaticContact CZ-CH2 3.59Å; Y1356-W1365 AromaticContact CZ-CZ3 3.82Å; Y1356-W1365 WeakPolarHBondContact OH-CH2 3.46Å; Y1356-W1365 VanDerWaalsContact OH-CZ3 3.31Å; Y1356-W1365 WeakPolarHBondContact OH-CZ3 3.43Å; R1363-W1365 HydrophobicContact CB-CH2 4.09Å; R1363-W1365 HydrophobicContact CB-CZ2 3.96Å; R1363-W1365 HydrophobicContact CB-CZ3 4.38Å; R1363-W1365 HydrophobicContact CG-CH2 4.1Å; R1363-W1365 HydrophobicContact CG-CZ2 3.95Å; W1365-L1367 PolarHBondContact O-N 3.14Å; W1365-L1367 VanDerWaalsContact O-N 3.16Å; W1365-M1377 HydrophobicContact CH2-SD 3.88Å; W1365-M1377 HydrophobicContact CZ2-SD 3.76Å; W1365-L1441 HydrophobicContact CB-CD1 4.17Å; W1365-L1441 HydrophobicContact CB-CD2 4.45Å; W1365-H1473 AromaticContact CH2-CE1 3.72Å; W1365-H1473 AromaticContact CZ3-CE1 3.85Å |
| 1366 | P | 85.3 | Confident | 80.9 | Confident | 13 Ų | 13 | 60 Ų | 60 | 8% | 0.084 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -53 | 116.7 | 173.9 | -31 | 37.9 | 0 | 0 | 0 | 114.2 | L1403 F1405 I1412 | P1366-L1403 HydrophobicContact CB-CD1 3.59Å; P1366-L1403 HydrophobicContact CB-CG 4.32Å; P1366-L1403 HydrophobicContact CG-CB 4.41Å; P1366-L1403 HydrophobicContact CG-CD1 4.2Å; P1366-F1405 HydrophobicContact CG-CE2 4.08Å; P1366-F1405 HydrophobicContact CG-CZ 4.45Å; P1366-I1412 HydrophobicContact CG-CB 4.06Å; P1366-I1412 HydrophobicContact CG-CG2 3.88Å |
| 1367 | L | 79.8 | Confident | 80.4 | Confident | 43 Ų | 43 | 61.2 Ų | 61.2 | 23% | 0.225 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -88.4 | 152.6 | 177.9 | -58.8 | -179.2 | 0 | 0 | 0 | 111.6 | R1363 W1365 E1371 I1373 | R1363-L1367 HydrophobicContact CB-CD2 3.85Å; R1363-L1367 HydrophobicContact CG-CD2 4.39Å; W1365-L1367 PolarHBondContact O-N 3.14Å; W1365-L1367 VanDerWaalsContact O-N 3.16Å; L1367-E1371 HydrophobicContact CB-CB 4.12Å; L1367-I1373 VanDerWaalsContact CD1-CA 3.5Å; L1367-I1373 HydrophobicContact CD1-CB 3.7Å; L1367-I1373 HydrophobicContact CD1-CG1 3.98Å |
| 1368 | R | 71.6 | Confident | 79.9 | Confident | 137 Ų | 137 | 60.6 Ų | 60.6 | 52% | 0.517 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 151.4 | 172.2 | -63.8 | 176.6 | 175.3 | 174.1 | -3.8 | 110.1 | G1370 E1371 | R1368-G1370 PolarHBondContact O-N 3Å; R1368-E1371 HydrophobicContact CB-CG 4.03Å; R1368-E1371 PolarHBondContact N-OE2 2.86Å; R1368-E1371 WeakPolarHBondContact O-CB 3.33Å; R1368-E1371 PolarHBondContact O-N 3.49Å |
| 1369 | P | 66.3 | Low | 78.3 | Confident | 141 Ų | 141 | 63.1 Ų | 63.1 | 92% | 0.916 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 124.1 | 174.1 | -24 | 33.3 | 0 | 0 | 0 | 111.2 | ||
| 1370 | G | 68 | Low | 76.6 | Confident | 89 Ų | 89 | 62.1 Ų | 62.1 | 92% | 0.918 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93 | -11.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | R1368 | R1368-G1370 PolarHBondContact O-N 3Š|
| 1371 | E | 74.7 | Confident | 74.3 | Confident | 76 Ų | 76 | 60.1 Ų | 60.1 | 36% | 0.355 | 36% | 0.358 | S | S | . | . | trans | -75.5 | 130.5 | 174.1 | -75.6 | 180 | 169.3 | 0 | 0 | 111.3 | R1363 L1367 R1368 | R1363-E1371 IonicContact NH1-OE2 3.41Å; L1367-E1371 HydrophobicContact CB-CB 4.12Å; R1368-E1371 HydrophobicContact CB-CG 4.03Å; R1368-E1371 PolarHBondContact N-OE2 2.86Å; R1368-E1371 WeakPolarHBondContact O-CB 3.33Å; R1368-E1371 PolarHBondContact O-N 3.49Å | ||
| 1372 | N | 75.7 | Confident | 71.8 | Confident | 63 Ų | 63 | 65.1 Ų | 65.1 | 34% | 0.337 | 38% | 0.38 | S | S | . | . | trans | -83.5 | 132.4 | 175.2 | -167.9 | -19.8 | 0 | 0 | 0 | 111 | S1374 Y1375 | N1372-S1374 PolarHBondContact O-N 2.84Å; N1372-S1374 PolarHBondContact OD1-N 2.86Å; N1372-S1374 VanDerWaalsContact OD1-N 3.15Å; N1372-S1374 PolarHBondContact OD1-OG 3.1Å; N1372-S1374 VanDerWaalsContact OD1-OG 3.08Å; N1372-Y1375 HydrophobicContact CB-CD1 3.74Å; N1372-Y1375 HydrophobicContact CB-CD2 4.06Å; N1372-Y1375 HydrophobicContact CB-CE1 4.05Å; N1372-Y1375 HydrophobicContact CB-CE2 4.33Å; N1372-Y1375 HydrophobicContact CB-CG 3.75Å; N1372-Y1375 VanDerWaalsContact ND2-CE1 3.25Å; N1372-Y1375 WeakPolarHBondContact ND2-CE1 3.41Å; N1372-Y1375 PolarHBondContact O-N 3.24Å | ||
| 1373 | I | 79.5 | Confident | 69.5 | Low | 59 Ų | 59 | 71.1 Ų | 71.1 | 30% | 0.303 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -25.4 | -179.8 | -162.3 | 169.4 | 0 | 0 | 0 | 113.7 | I1333 V1362 R1363 L1367 | I1333-I1373 HydrophobicContact CD1-CD1 3.95Å; V1362-I1373 HydrophobicContact CB-CD1 4.47Å; V1362-I1373 HydrophobicContact CB-CG1 4.11Å; R1363-I1373 HydrophobicContact CB-CG1 4.39Å; R1363-I1373 PolarHBondContact N-O 3.39Å; R1363-I1373 VanDerWaalsContact N-O 3.16Å; R1363-I1373 WeakPolarHBondContact O-CD1 3.24Å; R1363-I1373 VanDerWaalsContact O-CG1 3.25Å; R1363-I1373 WeakPolarHBondContact O-CG1 3.46Å; L1367-I1373 VanDerWaalsContact CD1-CA 3.5Å; L1367-I1373 HydrophobicContact CD1-CB 3.7Å; L1367-I1373 HydrophobicContact CD1-CG1 3.98Å |
| 1374 | S | 78 | Confident | 67.2 | Low | 51 Ų | 51 | 76.3 Ų | 76.3 | 36% | 0.357 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 9 | -179.2 | 63.6 | 0 | 0 | 0 | 0 | 113.7 | G1357 N1372 | G1357-S1374 WeakPolarHBondContact CA-O 3.4Å; G1357-S1374 PolarHBondContact N-O 2.94Å; N1372-S1374 PolarHBondContact O-N 2.84Å; N1372-S1374 PolarHBondContact OD1-N 2.86Å; N1372-S1374 VanDerWaalsContact OD1-N 3.15Å; N1372-S1374 PolarHBondContact OD1-OG 3.1Å; N1372-S1374 VanDerWaalsContact OD1-OG 3.08Å |
| 1375 | Y | 77.8 | Confident | 64.9 | Low | 143 Ų | 143 | 84.1 Ų | 84.1 | 56% | 0.561 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -92 | 149.3 | 178.1 | -79 | 17.7 | 0 | 0 | 0 | 110.8 | Y1356 R1363 N1372 | Y1356-Y1375 WeakPolarHBondContact CB-O 3.36Å; Y1356-Y1375 CarbonylContact O-C 3.51Å; R1363-Y1375 VanDerWaalsContact CZ-O 3.25Å; R1363-Y1375 PolarHBondContact NE-O 3.3Å; R1363-Y1375 VanDerWaalsContact NH2-C 3.34Å; R1363-Y1375 PolarHBondContact NH2-O 3.09Å; N1372-Y1375 HydrophobicContact CB-CD1 3.74Å; N1372-Y1375 HydrophobicContact CB-CD2 4.06Å; N1372-Y1375 HydrophobicContact CB-CE1 4.05Å; N1372-Y1375 HydrophobicContact CB-CE2 4.33Å; N1372-Y1375 HydrophobicContact CB-CG 3.75Å; N1372-Y1375 VanDerWaalsContact ND2-CE1 3.25Å; N1372-Y1375 WeakPolarHBondContact ND2-CE1 3.41Å; N1372-Y1375 PolarHBondContact O-N 3.24Å |
| 1376 | P | 69.9 | Low | 62.6 | Low | 54 Ų | 54 | 91.4 Ų | 91.4 | 35% | 0.351 | 51% | 0.507 | S | S | . | . | trans | -57.2 | 143.1 | 173.9 | 23.1 | -32.2 | 0 | 0 | 0 | 110.3 | Y1356 R1363 F1378 | Y1356-P1376 WeakPolarHBondContact O-CA 3.16Å; R1363-P1376 PolarHBondContact NH2-O 3.48Å; P1376-F1378 VanDerWaalsContact C-N 3.28Å; P1376-F1378 PolarHBondContact O-N 3.01Å | ||
| 1377 | M | 74.7 | Confident | 60.4 | Low | 28 Ų | 28 | 94 Ų | 94 | 14% | 0.138 | 52% | 0.52 | C | S | . | . | S | Bend | trans | -68.1 | -31.7 | -176.4 | 172.8 | 164.9 | 151.6 | 0 | 0 | 112.4 | P1353 Y1356 W1365 L1418 H1473 | P1353-M1377 HydrophobicContact CB-SD 4.42Å; Y1356-M1377 HydrophobicContact CD2-CB 3.83Å; Y1356-M1377 HydrophobicContact CE2-CB 4.06Å; Y1356-M1377 HydrophobicContact CE2-SD 4.42Å; W1365-M1377 HydrophobicContact CH2-SD 3.88Å; W1365-M1377 HydrophobicContact CZ2-SD 3.76Å; M1377-L1418 HydrophobicContact CE-CD1 3.89Å; M1377-L1418 HydrophobicContact CE-CD2 3.29Å; M1377-L1418 HydrophobicContact CE-CG 4.24Å; M1377-H1473 HydrophobicContact CE-CB 4.15Å |
| 1378 | F | 71.6 | Confident | 58.6 | Low | 28 Ų | 28 | 99.6 Ų | 99.6 | 12% | 0.123 | 54% | 0.543 | C | S | . | . | trans | -119.8 | 94.5 | 179.7 | -58.7 | -68.1 | 0 | 0 | 0 | 107.5 | P1353 F1354 P1376 F1382 L1418 Y1437 T1475 | P1353-F1378 HydrophobicContact CB-CD2 4.09Å; P1353-F1378 HydrophobicContact CB-CE2 3.68Å; P1353-F1378 HydrophobicContact CG-CD2 4.27Å; P1353-F1378 HydrophobicContact CG-CE2 3.82Å; F1354-F1378 HydrophobicContact CD1-CB 3.8Å; F1354-F1378 HydrophobicContact CD1-CD2 4.04Å; F1354-F1378 HydrophobicContact CD1-CG 4.4Å; F1354-F1378 HydrophobicContact CE1-CB 3.4Å; F1354-F1378 VanDerWaalsContact CE1-CB 3.4Å; F1354-F1378 AromaticContact CE1-CD2 3.66Å; F1354-F1378 HydrophobicContact CE1-CD2 3.66Å; F1354-F1378 AromaticContact CE1-CG 3.87Å; F1354-F1378 HydrophobicContact CE1-CG 3.87Å; F1354-F1378 HydrophobicContact CZ-CB 4.35Å; F1354-F1378 AromaticContact CZ-CD2 3.92Å; F1354-F1378 HydrophobicContact CZ-CD2 3.92Å; F1354-F1378 HydrophobicContact CZ-CG 4.4Å; P1376-F1378 VanDerWaalsContact C-N 3.28Å; P1376-F1378 PolarHBondContact O-N 3.01Å; F1378-F1382 HydrophobicContact CD1-CD2 4.5Å; F1378-F1382 AromaticContact CD1-CE2 3.8Å; F1378-F1382 HydrophobicContact CD1-CE2 3.8Å; F1378-F1382 AromaticContact CE1-CE2 3.98Å; F1378-F1382 HydrophobicContact CE1-CE2 3.98Å; F1378-L1418 HydrophobicContact CE1-CD2 3.86Å; F1378-L1418 HydrophobicContact CZ-CD2 4.02Å; F1378-Y1437 HydrophobicContact CE1-CD2 4.21Å; F1378-Y1437 HydrophobicContact CE1-CE2 4.17Å; F1378-Y1437 AromaticContact CZ-CD2 3.74Å; F1378-Y1437 HydrophobicContact CZ-CD2 3.74Å; F1378-Y1437 HydrophobicContact CZ-CE2 4.04Å; F1378-Y1437 HydrophobicContact CZ-CG 4.17Å; F1378-T1475 HydrophobicContact CD2-CG2 3.85Å; F1378-T1475 HydrophobicContact CE2-CG2 3.27Å; F1378-T1475 HydrophobicContact CZ-CG2 3.75Å | ||
| 1379 | D | 51.8 | Low | 57.1 | Low | 125 Ų | 125 | 98.9 Ų | 98.9 | 67% | 0.668 | 55% | 0.554 | S | S | * | * | trans | -79.8 | 141.7 | 164.3 | -164.9 | -2.4 | 0 | 0 | 0 | 107.5 | S1381 | D1379-S1381 PolarHBondContact O-N 3.22Š| ||
| 1380 | G | 48.6 | Very low | 55.8 | Low | 84 Ų | 84 | 95.2 Ų | 95.2 | 87% | 0.866 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -60.1 | 7.5 | -162.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 1381 | S | 38.4 | Very low | 54.5 | Low | 89 Ų | 89 | 98.1 Ų | 98.1 | 62% | 0.622 | 52% | 0.519 | S | S | * | . | trans | -107.3 | 83.5 | 177.4 | 65.2 | 0 | 0 | 0 | 0 | 112 | D1379 N1383 | D1379-S1381 PolarHBondContact O-N 3.22Å; S1381-N1383 PolarHBondContact O-N 2.8Å | ||
| 1382 | F | 36.5 | Very low | 52.7 | Low | 106 Ų | 106 | 103.7 Ų | 103.7 | 47% | 0.465 | 55% | 0.546 | S | S | . | . | trans | -83.4 | 89.3 | 173.3 | -135.4 | -89.1 | 0 | 0 | 0 | 109.7 | F1378 E1384 Y1437 | F1378-F1382 HydrophobicContact CD1-CD2 4.5Å; F1378-F1382 AromaticContact CD1-CE2 3.8Å; F1378-F1382 HydrophobicContact CD1-CE2 3.8Å; F1378-F1382 AromaticContact CE1-CE2 3.98Å; F1378-F1382 HydrophobicContact CE1-CE2 3.98Å; F1382-E1384 PolarHBondContact O-N 2.99Å; F1382-E1384 VanDerWaalsContact O-N 3.09Å; F1382-Y1437 HydrophobicContact CE2-CE1 4.48Å; F1382-Y1437 AromaticContact CZ-CE1 3.78Å; F1382-Y1437 HydrophobicContact CZ-CE1 3.78Å; F1382-Y1437 AromaticContact CZ-CZ 3.97Å | ||
| 1383 | N | 41.3 | Very low | 50.9 | Low | 133 Ų | 133 | 102.6 Ų | 102.6 | 71% | 0.711 | 54% | 0.543 | S | S | * | . | trans | -75.8 | 94 | 173.8 | -91.2 | -14.9 | 0 | 0 | 0 | 110.3 | S1381 E1385 | S1381-N1383 PolarHBondContact O-N 2.8Å; N1383-E1385 PolarHBondContact O-N 3.32Å; N1383-E1385 VanDerWaalsContact O-N 3.13Å | ||
| 1384 | E | 41.3 | Very low | 49 | Very low | 132 Ų | 132 | 106.7 Ų | 106.7 | 62% | 0.617 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -58.9 | -21.4 | -179.3 | -71.5 | -166.6 | 152 | 0 | 0 | 114.5 | F1382 Q1386 N1387 | F1382-E1384 PolarHBondContact O-N 2.99Å; F1382-E1384 VanDerWaalsContact O-N 3.09Å; E1384-Q1386 VanDerWaalsContact C-N 3.31Å; E1384-Q1386 PolarHBondContact O-N 3.42Å; E1384-N1387 PolarHBondContact O-N 2.88Å |
| 1385 | E | 43.1 | Very low | 47.3 | Very low | 165 Ų | 165 | 113.3 Ų | 113.3 | 77% | 0.771 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -67.7 | -26.4 | -175 | -70.5 | -164.3 | 148 | 0 | 0 | 114.1 | N1383 N1387 | N1383-E1385 PolarHBondContact O-N 3.32Å; N1383-E1385 VanDerWaalsContact O-N 3.13Å; E1385-N1387 VanDerWaalsContact C-N 3.32Å; E1385-N1387 PolarHBondContact O-N 2.81Å |
| 1386 | Q | 41 | Very low | 46 | Very low | 160 Ų | 160 | 112.2 Ų | 112.2 | 75% | 0.748 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -74.3 | -16.3 | 180 | -86.2 | -179.1 | -13.3 | 0 | 0 | 114.4 | E1384 | E1384-Q1386 VanDerWaalsContact C-N 3.31Å; E1384-Q1386 PolarHBondContact O-N 3.42Å |
| 1387 | N | 38.9 | Very low | 45.2 | Very low | 67 Ų | 67 | 117.5 Ų | 117.5 | 36% | 0.358 | 62% | 0.615 | S | S | . | * | G | 310 helix | trans | -95 | -8.6 | -178.3 | -91.5 | -14 | 0 | 0 | 0 | 114.5 | E1384 E1385 T1389 D1390 | E1384-N1387 PolarHBondContact O-N 2.88Å; E1385-N1387 VanDerWaalsContact C-N 3.32Å; E1385-N1387 PolarHBondContact O-N 2.81Å; N1387-T1389 VanDerWaalsContact C-N 3.26Å; N1387-T1389 PolarHBondContact O-N 2.81Å; N1387-D1390 PolarHBondContact O-N 3.26Å |
| 1388 | K | 41.5 | Very low | 44.3 | Very low | 162 Ų | 162 | 119.1 Ų | 119.1 | 70% | 0.704 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -23 | -178.4 | -81.8 | -178.8 | -178.5 | 166.3 | 0 | 113.8 | ||
| 1389 | T | 39.6 | Very low | 43.5 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 74% | 0.742 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -11.3 | -179.5 | 44.1 | 0 | 0 | 0 | 0 | 114.1 | N1387 | N1387-T1389 VanDerWaalsContact C-N 3.26Å; N1387-T1389 PolarHBondContact O-N 2.81Å |
| 1390 | D | 39.2 | Very low | 44.1 | Very low | 65 Ų | 65 | 120.8 Ų | 120.8 | 35% | 0.348 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.3 | -14.1 | -173.3 | -100.7 | -8.5 | 0 | 0 | 0 | 114.8 | N1387 Q1392 S1417 | N1387-D1390 PolarHBondContact O-N 3.26Å; D1390-Q1392 VanDerWaalsContact C-N 3.31Å; D1390-Q1392 PolarHBondContact O-N 3.18Å; D1390-S1417 PolarHBondContact OD2-OG 2.95Å |
| 1391 | I | 41.2 | Very low | 45.5 | Very low | 149 Ų | 149 | 121.7 Ų | 121.7 | 76% | 0.764 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -16.1 | -172.3 | -61.6 | 175 | 0 | 0 | 0 | 113.4 | ||
| 1392 | Q | 36.9 | Very low | 47.7 | Very low | 194 Ų | 194 | 120.3 Ų | 120.3 | 91% | 0.907 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 13.7 | -174.9 | -88.5 | -174.1 | -14.8 | 0 | 0 | 116.3 | D1390 | D1390-Q1392 VanDerWaalsContact C-N 3.31Å; D1390-Q1392 PolarHBondContact O-N 3.18Å |
| 1393 | S | 37.8 | Very low | 50.1 | Low | 39 Ų | 39 | 118.5 Ų | 118.5 | 27% | 0.273 | 60% | 0.599 | S | S | . | * | trans | -135 | 68.1 | 180 | 66.5 | 0 | 0 | 0 | 0 | 114.2 | Y1395 R1399 | S1393-Y1395 PolarHBondContact O-N 3.43Å; S1393-R1399 PolarHBondContact OG-NH1 3.4Å; S1393-R1399 PolarHBondContact OG-NH2 3.45Å | ||
| 1394 | D | 40.3 | Very low | 52.2 | Low | 146 Ų | 146 | 115.7 Ų | 115.7 | 78% | 0.781 | 58% | 0.584 | S | S | * | * | trans | -78 | 70.3 | 171.7 | -152 | 11 | 0 | 0 | 0 | 110.3 | ||||
| 1395 | Y | 41.8 | Very low | 54.3 | Low | 189 Ų | 189 | 110.7 Ų | 110.7 | 74% | 0.741 | 56% | 0.56 | S | S | * | * | trans | -104.4 | 121.2 | 169.9 | -75.8 | -77.9 | 0 | 0 | 0 | 109.3 | S1393 K1397 | S1393-Y1395 PolarHBondContact O-N 3.43Å; Y1395-K1397 PolarHBondContact O-N 3.03Å | ||
| 1396 | S | 51 | Low | 56.1 | Low | 121 Ų | 121 | 102.9 Ų | 102.9 | 85% | 0.846 | 52% | 0.524 | S | S | * | . | trans | -62.5 | 25.5 | -174.4 | 50.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 1397 | K | 53.7 | Low | 57.8 | Low | 165 Ų | 165 | 98.5 Ų | 98.5 | 72% | 0.717 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -106.7 | 137.4 | -178.6 | -70.4 | -174.8 | 179.3 | 178.8 | 0 | 112.2 | Y1395 R1399 | Y1395-K1397 PolarHBondContact O-N 3.03Å; K1397-R1399 PolarHBondContact O-N 2.85Å |
| 1398 | P | 54.5 | Low | 59.6 | Low | 62 Ų | 62 | 96.3 Ų | 96.3 | 40% | 0.403 | 51% | 0.514 | S | S | . | . | trans | -61.2 | 119.3 | 176 | 24 | -31.4 | 0 | 0 | 0 | 110.4 | L1415 | P1398-L1415 HydrophobicContact CB-CD2 4.35Š| ||
| 1399 | R | 56.3 | Low | 61.5 | Low | 159 Ų | 159 | 95.3 Ų | 95.3 | 60% | 0.6 | 51% | 0.506 | S | S | * | . | trans | -91.3 | -14.9 | 177 | -75.3 | -174.2 | 178 | 168.4 | 3.3 | 113.3 | S1393 K1397 | S1393-R1399 PolarHBondContact OG-NH1 3.4Å; S1393-R1399 PolarHBondContact OG-NH2 3.45Å; K1397-R1399 PolarHBondContact O-N 2.85Å | ||
| 1400 | G | 64.3 | Low | 63.8 | Low | 29 Ų | 29 | 89.5 Ų | 89.5 | 30% | 0.299 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -106.3 | 159.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | C1413 | G1400-C1413 PolarHBondContact O-SG 3.09Š|
| 1401 | P | 77.2 | Confident | 66.2 | Low | 102 Ų | 102 | 87.5 Ų | 87.5 | 66% | 0.662 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 143.7 | 173 | 27.9 | -33.5 | 0 | 0 | 0 | 110.8 | L1403 | P1401-L1403 PolarHBondContact O-N 3.28Š|
| 1402 | W | 83.9 | Confident | 68.6 | Low | 61 Ų | 61 | 80.5 Ų | 80.5 | 23% | 0.231 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 120.2 | 167.2 | -72.2 | 93.6 | 0 | 0 | 0 | 108.4 | Q1411 C1413 L1442 R1444 P1466 | W1402-Q1411 HydrophobicContact CB-CB 4.3Å; W1402-Q1411 HydrophobicContact CD2-CB 4.41Å; W1402-Q1411 HydrophobicContact CE3-CB 3.74Å; W1402-Q1411 HydrophobicContact CZ3-CB 4.46Å; W1402-Q1411 WeakPolarHBondContact CZ3-O 3.13Å; W1402-C1413 HydrophobicContact CD2-CB 3.67Å; W1402-C1413 HydrophobicContact CE3-CB 3.6Å; W1402-C1413 HydrophobicContact CG-CB 4.25Å; W1402-C1413 HydrophobicContact CH2-CB 4.2Å; W1402-C1413 HydrophobicContact CZ2-CB 4.22Å; W1402-C1413 HydrophobicContact CZ3-CB 3.89Å; W1402-L1442 HydrophobicContact CH2-CB 3.56Å; W1402-L1442 HydrophobicContact CH2-CD1 4.32Å; W1402-L1442 HydrophobicContact CZ2-CB 4.39Å; W1402-L1442 HydrophobicContact CZ2-CD1 4.41Å; W1402-L1442 HydrophobicContact CZ3-CB 4.06Å; W1402-L1442 WeakPolarHBondContact CZ3-O 3.47Å; W1402-R1444 HydrophobicContact CE3-CG 4.16Å; W1402-R1444 HydrophobicContact CH2-CB 4.5Å; W1402-R1444 HydrophobicContact CH2-CG 4.05Å; W1402-R1444 HydrophobicContact CZ3-CB 4.42Å; W1402-R1444 HydrophobicContact CZ3-CG 3.75Å; W1402-P1466 HydrophobicContact CH2-CB 3.99Å |
| 1403 | L | 87.1 | Confident | 71 | Confident | 67 Ų | 67 | 71.2 Ų | 71.2 | 35% | 0.351 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 140.5 | 176.8 | -66.4 | -179.7 | 0 | 0 | 0 | 110.3 | P1366 P1401 F1405 Q1411 I1412 | P1366-L1403 HydrophobicContact CB-CD1 3.59Å; P1366-L1403 HydrophobicContact CB-CG 4.32Å; P1366-L1403 HydrophobicContact CG-CB 4.41Å; P1366-L1403 HydrophobicContact CG-CD1 4.2Å; P1401-L1403 PolarHBondContact O-N 3.28Å; L1403-F1405 HydrophobicContact CB-CD2 4.47Å; L1403-F1405 HydrophobicContact CB-CE2 3.83Å; L1403-F1405 WeakPolarHBondContact O-CD2 2.93Å; L1403-Q1411 WeakPolarHBondContact O-CA 3Å; L1403-I1412 PolarHBondContact N-O 3.33Å; L1403-I1412 PolarHBondContact O-N 3.29Å |
| 1404 | D | 85.8 | Confident | 73.4 | Confident | 74 Ų | 74 | 70.8 Ų | 70.8 | 40% | 0.396 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 129.7 | -177.9 | -78.9 | -22.8 | 0 | 0 | 0 | 110.4 | Q1411 R1446 | D1404-Q1411 WeakPolarHBondContact OD1-CG 3.49Å; D1404-Q1411 PolarHBondContact OD1-NE2 2.85Å; D1404-R1446 VanDerWaalsContact CG-NH1 3.28Å; D1404-R1446 IonicContact OD1-NH1 3.84Å; D1404-R1446 PolarHBondContact OD1-NH1 3.36Å; D1404-R1446 IonicContact OD2-CZ 3.66Å; D1404-R1446 IonicContact OD2-NH1 3.45Å; D1404-R1446 PolarHBondContact OD2-NH1 3.03Å; D1404-R1446 IonicContact OD2-NH2 3.89Å |
| 1405 | F | 85.6 | Confident | 75.4 | Confident | 28 Ų | 28 | 64.8 Ų | 64.8 | 12% | 0.123 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 169.3 | 174.5 | -70.5 | -94.5 | 0 | 0 | 0 | 109.7 | I1333 W1337 P1366 L1403 G1408 R1409 I1410 I1412 | I1333-F1405 HydrophobicContact CG2-CD1 3.77Å; I1333-F1405 HydrophobicContact CG2-CE1 3.91Å; W1337-F1405 AromaticContact CD1-CD1 3.6Å; W1337-F1405 AromaticContact CD1-CG 3.97Å; W1337-F1405 HydrophobicContact CG-CB 4.42Å; W1337-F1405 AromaticContact NE1-CD1 3.75Å; W1337-F1405 AromaticContact NE1-CE1 3.93Å; P1366-F1405 HydrophobicContact CG-CE2 4.08Å; P1366-F1405 HydrophobicContact CG-CZ 4.45Å; L1403-F1405 HydrophobicContact CB-CD2 4.47Å; L1403-F1405 HydrophobicContact CB-CE2 3.83Å; L1403-F1405 WeakPolarHBondContact O-CD2 2.93Å; F1405-G1408 PolarHBondContact O-N 3.26Å; F1405-G1408 VanDerWaalsContact O-N 3.11Å; F1405-R1409 PolarHBondContact O-N 3.17Å; F1405-I1410 PolarHBondContact N-O 3.14Å; F1405-I1410 PolarHBondContact O-N 3.35Å; F1405-I1410 VanDerWaalsContact O-N 3.16Å; F1405-I1412 HydrophobicContact CB-CD1 4.2Å; F1405-I1412 HydrophobicContact CD2-CB 3.97Å; F1405-I1412 HydrophobicContact CD2-CD1 3.56Å; F1405-I1412 HydrophobicContact CD2-CG1 3.74Å; F1405-I1412 HydrophobicContact CE2-CB 4Å; F1405-I1412 HydrophobicContact CE2-CD1 4.03Å; F1405-I1412 HydrophobicContact CE2-CG1 4.24Å; F1405-I1412 HydrophobicContact CG-CD1 3.87Å; F1405-I1412 HydrophobicContact CG-CG1 4.43Å |
| 1406 | A | 81.6 | Confident | 77.1 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 52.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1334 F1338 G1408 R1409 I1410 | D1334-A1406 VanDerWaalsContact CG-N 3.34Å; D1334-A1406 WeakPolarHBondContact OD1-CA 3.38Å; D1334-A1406 PolarHBondContact OD1-N 2.87Å; F1338-A1406 HydrophobicContact CD1-CB 3.9Å; F1338-A1406 HydrophobicContact CD2-CB 4.24Å; F1338-A1406 HydrophobicContact CE1-CB 3.57Å; F1338-A1406 HydrophobicContact CE2-CB 3.94Å; F1338-A1406 HydrophobicContact CG-CB 4.23Å; F1338-A1406 HydrophobicContact CZ-CB 3.59Å; A1406-G1408 PolarHBondContact O-N 3.25Å; A1406-R1409 PolarHBondContact O-N 3.03Å; A1406-I1410 HydrophobicContact CB-CB 4.27Å; A1406-I1410 HydrophobicContact CB-CD1 3.79Å; A1406-I1410 HydrophobicContact CB-CG1 4.04Å |
| 1407 | G | 75.1 | Confident | 78.3 | Confident | 68 Ų | 68 | 53.4 Ų | 53.4 | 70% | 0.701 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 28 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D1334 | D1334-G1407 PolarHBondContact OD2-N 2.78Å; D1334-G1407 VanDerWaalsContact OD2-N 3.11Å |
| 1408 | G | 77.9 | Confident | 79.6 | Confident | 20 Ų | 20 | 47 Ų | 47 | 21% | 0.206 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 9.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116 | F1405 A1406 R1446 | F1405-G1408 PolarHBondContact O-N 3.26Å; F1405-G1408 VanDerWaalsContact O-N 3.11Å; A1406-G1408 PolarHBondContact O-N 3.25Å; G1408-R1446 WeakPolarHBondContact O-CD 3.28Å; G1408-R1446 PolarHBondContact O-NH1 3.3Å |
| 1409 | R | 80.5 | Confident | 80.9 | Confident | 141 Ų | 141 | 48 Ų | 48 | 53% | 0.532 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -26.4 | -177.4 | -58.6 | -178 | -166.5 | 180 | 5.7 | 113.4 | F1405 A1406 R1446 | F1405-R1409 PolarHBondContact O-N 3.17Å; A1406-R1409 PolarHBondContact O-N 3.03Å; R1409-R1446 WeakPolarHBondContact O-CB 3.47Å; R1409-R1446 PolarHBondContact O-N 3.45Å |
| 1410 | I | 87.7 | Confident | 82.2 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 135.5 | -179.7 | -61.1 | 175.4 | 0 | 0 | 0 | 107.8 | W1337 F1338 E1341 F1405 A1406 I1412 I1443 | W1337-I1410 HydrophobicContact CB-CD1 4.38Å; W1337-I1410 WeakPolarHBondContact O-CD1 3.33Å; F1338-I1410 HydrophobicContact CD1-CD1 4.17Å; E1341-I1410 HydrophobicContact CB-CD1 3.74Å; E1341-I1410 HydrophobicContact CG-CD1 4.09Å; F1405-I1410 PolarHBondContact N-O 3.14Å; F1405-I1410 PolarHBondContact O-N 3.35Å; F1405-I1410 VanDerWaalsContact O-N 3.16Å; A1406-I1410 HydrophobicContact CB-CB 4.27Å; A1406-I1410 HydrophobicContact CB-CD1 3.79Å; A1406-I1410 HydrophobicContact CB-CG1 4.04Å; I1410-I1412 HydrophobicContact CG2-CD1 4.36Å; I1410-I1412 HydrophobicContact CG2-CG1 3.97Å; I1410-I1443 HydrophobicContact CG2-CD1 3.76Å; I1410-I1443 HydrophobicContact CG2-CG1 3.59Å |
| 1411 | Q | 89.7 | Confident | 82.7 | Confident | 23 Ų | 23 | 42.2 Ų | 42.2 | 11% | 0.107 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 132.8 | 173.8 | -74.9 | -171.4 | -23.8 | 0 | 0 | 110.3 | W1402 L1403 D1404 R1444 R1446 | W1402-Q1411 HydrophobicContact CB-CB 4.3Å; W1402-Q1411 HydrophobicContact CD2-CB 4.41Å; W1402-Q1411 HydrophobicContact CE3-CB 3.74Å; W1402-Q1411 HydrophobicContact CZ3-CB 4.46Å; W1402-Q1411 WeakPolarHBondContact CZ3-O 3.13Å; L1403-Q1411 WeakPolarHBondContact O-CA 3Å; D1404-Q1411 WeakPolarHBondContact OD1-CG 3.49Å; D1404-Q1411 PolarHBondContact OD1-NE2 2.85Å; Q1411-R1444 HydrophobicContact CB-CG 3.88Å; Q1411-R1444 PolarHBondContact N-O 2.64Å; Q1411-R1444 PolarHBondContact O-N 3Å; Q1411-R1444 VanDerWaalsContact OE1-CZ 3.27Å; Q1411-R1446 HydrophobicContact CG-CB 4.4Å |
| 1412 | I | 91.6 | Very high | 82.2 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 135.8 | -177.7 | -48.4 | 179.8 | 0 | 0 | 0 | 109.6 | W1337 P1366 L1403 F1405 I1410 L1441 L1442 | W1337-I1412 HydrophobicContact CD2-CD1 3.18Å; W1337-I1412 HydrophobicContact CE3-CD1 3.42Å; W1337-I1412 VanDerWaalsContact CE3-CD1 3.42Å; W1337-I1412 HydrophobicContact CG-CD1 3.69Å; W1337-I1412 HydrophobicContact CH2-CD1 3.82Å; W1337-I1412 HydrophobicContact CH2-CG2 4.47Å; W1337-I1412 HydrophobicContact CZ2-CD1 3.58Å; W1337-I1412 HydrophobicContact CZ3-CD1 3.73Å; P1366-I1412 HydrophobicContact CG-CB 4.06Å; P1366-I1412 HydrophobicContact CG-CG2 3.88Å; L1403-I1412 PolarHBondContact N-O 3.33Å; L1403-I1412 PolarHBondContact O-N 3.29Å; F1405-I1412 HydrophobicContact CB-CD1 4.2Å; F1405-I1412 HydrophobicContact CD2-CB 3.97Å; F1405-I1412 HydrophobicContact CD2-CD1 3.56Å; F1405-I1412 HydrophobicContact CD2-CG1 3.74Å; F1405-I1412 HydrophobicContact CE2-CB 4Å; F1405-I1412 HydrophobicContact CE2-CD1 4.03Å; F1405-I1412 HydrophobicContact CE2-CG1 4.24Å; F1405-I1412 HydrophobicContact CG-CD1 3.87Å; F1405-I1412 HydrophobicContact CG-CG1 4.43Å; I1410-I1412 HydrophobicContact CG2-CD1 4.36Å; I1410-I1412 HydrophobicContact CG2-CG1 3.97Å; I1412-L1441 HydrophobicContact CG2-CB 4.35Å; I1412-L1442 VanDerWaalsContact CA-O 3.3Å; I1412-L1442 WeakPolarHBondContact CA-O 3.33Å |
| 1413 | C | 88.4 | Confident | 80.8 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 141 | 176.2 | 178.2 | 0 | 0 | 0 | 0 | 109.6 | G1400 W1402 L1441 L1442 | G1400-C1413 PolarHBondContact O-SG 3.09Å; W1402-C1413 HydrophobicContact CD2-CB 3.67Å; W1402-C1413 HydrophobicContact CE3-CB 3.6Å; W1402-C1413 HydrophobicContact CG-CB 4.25Å; W1402-C1413 HydrophobicContact CH2-CB 4.2Å; W1402-C1413 HydrophobicContact CZ2-CB 4.22Å; W1402-C1413 HydrophobicContact CZ3-CB 3.89Å; C1413-L1441 CarbonylContact O-C 3.45Å; C1413-L1441 WeakPolarHBondContact O-CA 3.34Å; C1413-L1442 PolarHBondContact N-O 3.39Å; C1413-L1442 PolarHBondContact O-N 3.1Å |
| 1414 | Q | 87.7 | Confident | 79 | Confident | 29 Ų | 29 | 43.6 Ų | 43.6 | 14% | 0.136 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 135 | 173.3 | -177.8 | 173.7 | -50.3 | 0 | 0 | 111.6 | G1416 R1439 L1441 | Q1414-G1416 PolarHBondContact NE2-O 2.97Å; Q1414-R1439 HydrophobicContact CG-CG 4.39Å; Q1414-L1441 HydrophobicContact CB-CD2 3.88Å; Q1414-L1441 HydrophobicContact CG-CD2 4.06Å |
| 1415 | L | 82.3 | Confident | 76.9 | Confident | 20 Ų | 20 | 46 Ų | 46 | 11% | 0.105 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 112.5 | 172.3 | -70.2 | 178 | 0 | 0 | 0 | 110.6 | P1398 R1440 L1442 | P1398-L1415 HydrophobicContact CB-CD2 4.35Å; L1415-R1440 HydrophobicContact CB-CB 3.92Å; L1415-R1440 PolarHBondContact N-O 3.39Å; L1415-L1442 HydrophobicContact CD1-CD1 3.93Å; L1415-L1442 HydrophobicContact CD1-CD2 3.79Å; L1415-L1442 HydrophobicContact CD1-CG 3.55Å; L1415-L1442 HydrophobicContact CD2-CD1 3.72Å; L1415-L1442 HydrophobicContact CD2-CG 4.13Å; L1415-L1442 HydrophobicContact CG-CD1 3.95Å; L1415-L1442 HydrophobicContact CG-CG 3.76Å |
| 1416 | G | 77.4 | Confident | 74.7 | Confident | 48 Ų | 48 | 50.7 Ų | 50.7 | 50% | 0.495 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 67.2 | -169.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q1414 | Q1414-G1416 PolarHBondContact NE2-O 2.97Å |
| 1417 | S | 75.5 | Confident | 72.5 | Confident | 24 Ų | 24 | 54.5 Ų | 54.5 | 17% | 0.168 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 164.3 | 177.1 | -67.3 | 0 | 0 | 0 | 0 | 111.1 | D1390 V1419 | D1390-S1417 PolarHBondContact OD2-OG 2.95Å; S1417-V1419 WeakPolarHBondContact O-CG2 3.3Å; S1417-V1419 PolarHBondContact O-N 2.78Å |
| 1418 | L | 81.1 | Confident | 70.4 | Confident | 31 Ų | 31 | 57.1 Ų | 57.1 | 16% | 0.162 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 120.8 | 173.8 | -179 | 75.6 | 0 | 0 | 0 | 109.3 | M1377 F1378 Y1437 R1439 | M1377-L1418 HydrophobicContact CE-CD1 3.89Å; M1377-L1418 HydrophobicContact CE-CD2 3.29Å; M1377-L1418 HydrophobicContact CE-CG 4.24Å; F1378-L1418 HydrophobicContact CE1-CD2 3.86Å; F1378-L1418 HydrophobicContact CZ-CD2 4.02Å; L1418-Y1437 HydrophobicContact CD2-CD1 3.94Å; L1418-Y1437 HydrophobicContact CD2-CG 4.03Å; L1418-Y1437 HydrophobicContact CG-CD1 4.13Å; L1418-Y1437 HydrophobicContact CG-CG 4.31Å; L1418-R1439 HydrophobicContact CD1-CB 3.91Å |
| 1419 | V | 83 | Confident | 68.5 | Low | 82 Ų | 82 | 64.9 Ų | 64.9 | 50% | 0.497 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 130.9 | -172 | -172.4 | 0 | 0 | 0 | 0 | 110.7 | S1417 Y1437 K1438 | S1417-V1419 WeakPolarHBondContact O-CG2 3.3Å; S1417-V1419 PolarHBondContact O-N 2.78Å; V1419-Y1437 CarbonylContact O-C 3.57Å; V1419-Y1437 WeakPolarHBondContact O-CA 3.19Å; V1419-K1438 PolarHBondContact N-O 3.35Å; V1419-K1438 PolarHBondContact O-N 2.99Å |
| 1420 | P | 82.3 | Confident | 66.3 | Low | 41 Ų | 41 | 69.5 Ų | 69.5 | 27% | 0.266 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 141.2 | 171.2 | 27.9 | -33 | 0 | 0 | 0 | 111.6 | C1422 H1434 Y1437 | P1420-C1422 PolarHBondContact O-N 3.09Å; P1420-H1434 HydrophobicContact CB-CB 3.77Å; P1420-H1434 WeakPolarHBondContact CB-CD2 3.11Å; P1420-Y1437 HydrophobicContact CB-CD1 4.18Å; P1420-Y1437 HydrophobicContact CB-CE1 4.14Å |
| 1421 | V | 75.8 | Confident | 63.7 | Low | 25 Ų | 25 | 77.1 Ų | 77.1 | 15% | 0.152 | 43% | 0.432 | C | S | . | . | trans | -86.6 | 111 | -178.7 | -180 | 0 | 0 | 0 | 0 | 110.8 | I1423 I1436 K1438 F1472 K1497 | V1421-I1423 HydrophobicContact CG1-CD1 4.45Å; V1421-I1423 HydrophobicContact CG1-CG1 4.04Å; V1421-I1436 HydrophobicContact CB-CB 4.16Å; V1421-I1436 HydrophobicContact CB-CG2 4.07Å; V1421-I1436 HydrophobicContact CG2-CB 4.36Å; V1421-I1436 HydrophobicContact CG2-CG2 3.79Å; V1421-I1436 PolarHBondContact N-O 3.05Å; V1421-K1438 HydrophobicContact CG2-CB 3.84Å; V1421-F1472 HydrophobicContact CG2-CD1 4.22Å; V1421-F1472 HydrophobicContact CG2-CE1 4.19Å; V1421-K1497 HydrophobicContact CG1-CB 4.31Å; V1421-K1497 HydrophobicContact CG1-CD 4.11Å; V1421-K1497 HydrophobicContact CG1-CG 3.8Å | ||
| 1422 | C | 66.2 | Low | 61.5 | Low | 91 Ų | 91 | 80 Ų | 80 | 62% | 0.615 | 46% | 0.455 | S | S | * | . | trans | -100.1 | 121.1 | 173.1 | -64.5 | 0 | 0 | 0 | 0 | 110.6 | P1420 | P1420-C1422 PolarHBondContact O-N 3.09Š| ||
| 1423 | I | 54.6 | Low | 59.7 | Low | 55 Ų | 55 | 87.1 Ų | 87.1 | 28% | 0.282 | 49% | 0.493 | S | S | . | . | trans | -99.6 | -24.4 | -177.6 | -58.3 | -171.9 | 0 | 0 | 0 | 112.5 | V1421 R1493 K1497 | V1421-I1423 HydrophobicContact CG1-CD1 4.45Å; V1421-I1423 HydrophobicContact CG1-CG1 4.04Å; I1423-R1493 VanDerWaalsContact CD1-C 3.47Å; I1423-R1493 VanDerWaalsContact CD1-CA 3.45Å; I1423-R1493 HydrophobicContact CD1-CB 3.37Å; I1423-R1493 HydrophobicContact CD1-CG 3.78Å; I1423-R1493 WeakPolarHBondContact CD1-O 3.47Å; I1423-K1497 HydrophobicContact CD1-CB 4.34Å | ||
| 1424 | N | 50.1 | Low | 58.2 | Low | 113 Ų | 113 | 90.7 Ų | 90.7 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | trans | -119.8 | 114.2 | 176.4 | -92.9 | -27.6 | 0 | 0 | 0 | 111.2 | V1426 | N1424-V1426 PolarHBondContact O-N 3.26Š| ||
| 1425 | P | 41.4 | Very low | 57.7 | Low | 126 Ų | 126 | 91.9 Ų | 91.9 | 82% | 0.818 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -12.9 | 175.3 | 24.9 | -29.9 | 0 | 0 | 0 | 113.3 | ||
| 1426 | V | 38.3 | Very low | 58 | Low | 126 Ų | 126 | 91.2 Ų | 91.2 | 76% | 0.764 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -5.6 | -165.9 | -169.5 | 0 | 0 | 0 | 0 | 114.5 | N1424 P1428 | N1424-V1426 PolarHBondContact O-N 3.26Å; V1426-P1428 WeakPolarHBondContact O-CD 3.43Å |
| 1427 | S | 35.9 | Very low | 58.6 | Low | 81 Ų | 81 | 90 Ų | 90 | 57% | 0.566 | 49% | 0.493 | S | S | * | . | trans | -113.3 | 89.6 | 179.6 | 56.4 | 0 | 0 | 0 | 0 | 112.2 | K1429 | S1427-K1429 PolarHBondContact O-N 3.48Š| ||
| 1428 | P | 31.8 | Very low | 59.3 | Low | 122 Ų | 122 | 90.5 Ų | 90.5 | 79% | 0.792 | 49% | 0.492 | S | S | * | . | trans | -80.7 | 68.5 | 174 | 34.7 | -33.1 | 0 | 0 | 0 | 109.4 | V1426 | V1426-P1428 WeakPolarHBondContact O-CD 3.43Š| ||
| 1429 | K | 36.5 | Very low | 59.8 | Low | 183 Ų | 183 | 90 Ų | 90 | 80% | 0.796 | 49% | 0.488 | S | S | * | . | trans | -96.2 | 97.9 | 162.5 | -80.7 | -166.7 | 175.9 | -175.5 | 0 | 108.1 | S1427 N1431 | S1427-K1429 PolarHBondContact O-N 3.48Å; K1429-N1431 PolarHBondContact O-N 2.95Å | ||
| 1430 | R | 34 | Very low | 60.2 | Low | 239 Ų | 239 | 90 Ų | 90 | 90% | 0.902 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | 14.1 | -166.8 | -121 | -179.4 | -171.2 | 176.4 | 3.4 | 116.7 | ||
| 1431 | N | 34.8 | Very low | 60.7 | Low | 159 Ų | 159 | 88.1 Ų | 88.1 | 85% | 0.85 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.5 | 17.6 | -172.7 | -96.2 | 15.5 | 0 | 0 | 0 | 115.5 | K1429 | K1429-N1431 PolarHBondContact O-N 2.95Š|
| 1432 | S | 43.6 | Very low | 61.4 | Low | 84 Ų | 84 | 88 Ų | 88 | 59% | 0.587 | 47% | 0.465 | S | S | * | . | trans | -93.2 | 114.8 | 173.9 | 58.9 | 0 | 0 | 0 | 0 | 110.6 | H1434 | S1432-H1434 PolarHBondContact O-N 3.43Å; S1432-H1434 VanDerWaalsContact O-N 3.16Å | ||
| 1433 | N | 53 | Low | 62.5 | Low | 150 Ų | 150 | 83.8 Ų | 83.8 | 80% | 0.802 | 44% | 0.436 | S | S | * | . | trans | -38.5 | 119.2 | 168.9 | -67.3 | -16.5 | 0 | 0 | 0 | 110.3 | E1435 | N1433-E1435 PolarHBondContact O-N 3.32Š| ||
| 1434 | H | 56.1 | Low | 64.1 | Low | 75 Ų | 75 | 85.2 Ų | 85.2 | 35% | 0.347 | 44% | 0.438 | S | S | . | . | trans | -69.2 | 118.6 | -178.9 | -62.7 | 79.5 | 0 | 0 | 0 | 108.4 | P1420 S1432 Y1437 T1475 | P1420-H1434 HydrophobicContact CB-CB 3.77Å; P1420-H1434 WeakPolarHBondContact CB-CD2 3.11Å; S1432-H1434 PolarHBondContact O-N 3.43Å; S1432-H1434 VanDerWaalsContact O-N 3.16Å; H1434-Y1437 HydrophobicContact CB-CE1 4.31Å; H1434-Y1437 HydrophobicContact CB-CE2 4.44Å; H1434-Y1437 WeakPolarHBondContact O-CE2 3.23Å; H1434-Y1437 PolarHBondContact O-OH 3.45Å; H1434-T1475 PolarHBondContact O-OG1 3.43Å; H1434-T1475 VanDerWaalsContact O-OG1 3.12Å | ||
| 1435 | E | 78.9 | Confident | 65.7 | Low | 54 Ų | 54 | 83.6 Ų | 83.6 | 25% | 0.252 | 43% | 0.427 | S | S | . | . | trans | -86.7 | -9.5 | -173.9 | -62.9 | 172 | 141.7 | 0 | 0 | 113.3 | N1433 T1475 G1476 S1487 A1490 | N1433-E1435 PolarHBondContact O-N 3.32Å; E1435-T1475 VanDerWaalsContact CA-OG1 3.23Å; E1435-T1475 WeakPolarHBondContact CA-OG1 3.39Å; E1435-T1475 PolarHBondContact O-N 3.37Å; E1435-T1475 PolarHBondContact O-OG1 2.91Å; E1435-G1476 PolarHBondContact O-N 2.83Å; E1435-S1487 WeakPolarHBondContact OE1-CB 3.23Å; E1435-S1487 PolarHBondContact OE1-OG 2.87Å; E1435-S1487 PolarHBondContact OE2-OG 3.46Å; E1435-A1490 HydrophobicContact CB-CB 4.17Å; E1435-A1490 WeakPolarHBondContact OE2-CB 3.32Å | ||
| 1436 | I | 87.5 | Confident | 67.4 | Low | 7 Ų | 7 | 83.3 Ų | 83.3 | 4% | 0.036 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 129.4 | -174.7 | -50.2 | 166.1 | 0 | 0 | 0 | 109.1 | V1421 F1472 F1474 A1490 R1493 L1494 | V1421-I1436 HydrophobicContact CB-CB 4.16Å; V1421-I1436 HydrophobicContact CB-CG2 4.07Å; V1421-I1436 HydrophobicContact CG2-CB 4.36Å; V1421-I1436 HydrophobicContact CG2-CG2 3.79Å; V1421-I1436 PolarHBondContact N-O 3.05Å; I1436-F1472 HydrophobicContact CG2-CD1 4.34Å; I1436-F1474 HydrophobicContact CG1-CD2 4.27Å; I1436-A1490 WeakPolarHBondContact CD1-O 3.44Å; I1436-R1493 HydrophobicContact CD1-CB 3.97Å; I1436-L1494 HydrophobicContact CD1-CB 3.82Å; I1436-L1494 HydrophobicContact CG2-CD1 3.97Å |
| 1437 | Y | 89.4 | Confident | 68.8 | Low | 22 Ų | 22 | 84 Ų | 84 | 9% | 0.086 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 141.7 | 176.7 | -63.7 | -93.9 | 0 | 0 | 0 | 111 | F1378 F1382 L1418 V1419 P1420 H1434 F1472 H1473 T1475 | F1378-Y1437 HydrophobicContact CE1-CD2 4.21Å; F1378-Y1437 HydrophobicContact CE1-CE2 4.17Å; F1378-Y1437 AromaticContact CZ-CD2 3.74Å; F1378-Y1437 HydrophobicContact CZ-CD2 3.74Å; F1378-Y1437 HydrophobicContact CZ-CE2 4.04Å; F1378-Y1437 HydrophobicContact CZ-CG 4.17Å; F1382-Y1437 HydrophobicContact CE2-CE1 4.48Å; F1382-Y1437 AromaticContact CZ-CE1 3.78Å; F1382-Y1437 HydrophobicContact CZ-CE1 3.78Å; F1382-Y1437 AromaticContact CZ-CZ 3.97Å; L1418-Y1437 HydrophobicContact CD2-CD1 3.94Å; L1418-Y1437 HydrophobicContact CD2-CG 4.03Å; L1418-Y1437 HydrophobicContact CG-CD1 4.13Å; L1418-Y1437 HydrophobicContact CG-CG 4.31Å; V1419-Y1437 CarbonylContact O-C 3.57Å; V1419-Y1437 WeakPolarHBondContact O-CA 3.19Å; P1420-Y1437 HydrophobicContact CB-CD1 4.18Å; P1420-Y1437 HydrophobicContact CB-CE1 4.14Å; H1434-Y1437 HydrophobicContact CB-CE1 4.31Å; H1434-Y1437 HydrophobicContact CB-CE2 4.44Å; H1434-Y1437 WeakPolarHBondContact O-CE2 3.23Å; H1434-Y1437 PolarHBondContact O-OH 3.45Å; Y1437-F1472 CarbonylContact O-C 3.54Å; Y1437-F1472 WeakPolarHBondContact O-CA 3.13Å; Y1437-H1473 PolarHBondContact N-O 3.15Å; Y1437-H1473 PolarHBondContact O-N 2.93Å; Y1437-T1475 HydrophobicContact CD2-CG2 3.88Å; Y1437-T1475 HydrophobicContact CE2-CG2 3.93Å |
| 1438 | K | 91.1 | Very high | 69.9 | Low | 34 Ų | 34 | 84.1 Ų | 84.1 | 15% | 0.148 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 130.9 | 178.2 | -177.8 | -178.5 | 176.8 | 179.8 | 0 | 110.6 | V1419 V1421 S1470 V1471 F1472 E1501 | V1419-K1438 PolarHBondContact N-O 3.35Å; V1419-K1438 PolarHBondContact O-N 2.99Å; V1421-K1438 HydrophobicContact CG2-CB 3.84Å; K1438-S1470 VanDerWaalsContact CE-OG 3.23Å; K1438-S1470 WeakPolarHBondContact CE-OG 3.1Å; K1438-V1471 CarbonylContact C-O 3.57Å; K1438-V1471 WeakPolarHBondContact CA-O 3.48Å; K1438-F1472 HydrophobicContact CB-CD1 4.19Å; K1438-F1472 HydrophobicContact CB-CE1 4.12Å; K1438-F1472 HydrophobicContact CD-CE1 4Å; K1438-F1472 HydrophobicContact CD-CZ 4.17Å; K1438-F1472 HydrophobicContact CG-CD1 4.35Å; K1438-F1472 HydrophobicContact CG-CE1 4.01Å; K1438-F1472 HydrophobicContact CG-CZ 4.4Å; K1438-E1501 VanDerWaalsContact CE-OE2 3.3Å; K1438-E1501 WeakPolarHBondContact CE-OE2 3.46Å; K1438-E1501 IonicContact NZ-OE1 3.14Å; K1438-E1501 PolarHBondContact NZ-OE1 2.95Å; K1438-E1501 IonicContact NZ-OE2 2.8Å; K1438-E1501 PolarHBondContact NZ-OE2 2.63Å |
| 1439 | R | 91.5 | Very high | 70.7 | Confident | 22 Ų | 22 | 82.9 Ų | 82.9 | 8% | 0.083 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 138.4 | 170.3 | -174.4 | -177.8 | -56.2 | -86.1 | -0.2 | 109.3 | Q1414 L1418 L1441 S1470 V1471 H1473 | Q1414-R1439 HydrophobicContact CG-CG 4.39Å; L1418-R1439 HydrophobicContact CD1-CB 3.91Å; R1439-L1441 HydrophobicContact CG-CD2 4.11Å; R1439-L1441 HydrophobicContact CG-CG 4.43Å; R1439-S1470 CarbonylContact O-C 3.54Å; R1439-S1470 WeakPolarHBondContact O-CA 3.48Å; R1439-V1471 HydrophobicContact CB-CB 4.24Å; R1439-V1471 PolarHBondContact N-O 3.38Å; R1439-V1471 PolarHBondContact O-N 3.38Å; R1439-H1473 PolarHBondContact NE-NE2 2.98Å |
| 1440 | R | 91.6 | Very high | 71.1 | Confident | 81 Ų | 81 | 82.2 Ų | 82.2 | 31% | 0.306 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 128.1 | 179.4 | -62.8 | 171.6 | 66.4 | -160.9 | -1.5 | 109.1 | L1415 E1468 | L1415-R1440 HydrophobicContact CB-CB 3.92Å; L1415-R1440 PolarHBondContact N-O 3.39Å; R1440-E1468 IonicContact CZ-OE1 2.97Å; R1440-E1468 IonicContact CZ-OE2 3.52Å; R1440-E1468 IonicContact NE-OE1 3.99Å; R1440-E1468 PolarHBondContact NE-OE1 3.31Å; R1440-E1468 IonicContact NE-OE2 3.41Å; R1440-E1468 IonicContact NH2-OE1 3.43Å; R1440-E1468 PolarHBondContact NH2-OE1 2.96Å; R1440-E1468 IonicContact NH2-OE2 2.67Å; R1440-E1468 PolarHBondContact NH2-OE2 2.97Å |
| 1441 | L | 92.1 | Very high | 71.3 | Confident | 1 Ų | 1 | 78.2 Ų | 78.2 | 1% | 0.005 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 148.2 | -179.7 | -57 | 176.8 | 0 | 0 | 0 | 109.3 | W1337 W1365 I1412 C1413 Q1414 R1439 E1468 V1469 V1471 | W1337-L1441 HydrophobicContact CH2-CD1 3.76Å; W1337-L1441 HydrophobicContact CZ2-CD1 4.38Å; W1365-L1441 HydrophobicContact CB-CD1 4.17Å; W1365-L1441 HydrophobicContact CB-CD2 4.45Å; I1412-L1441 HydrophobicContact CG2-CB 4.35Å; C1413-L1441 CarbonylContact O-C 3.45Å; C1413-L1441 WeakPolarHBondContact O-CA 3.34Å; Q1414-L1441 HydrophobicContact CB-CD2 3.88Å; Q1414-L1441 HydrophobicContact CG-CD2 4.06Å; R1439-L1441 HydrophobicContact CG-CD2 4.11Å; R1439-L1441 HydrophobicContact CG-CG 4.43Å; L1441-E1468 CarbonylContact O-C 3.58Å; L1441-E1468 WeakPolarHBondContact O-CA 3.37Å; L1441-V1469 HydrophobicContact CB-CB 4.39Å; L1441-V1469 PolarHBondContact N-O 2.98Å; L1441-V1469 PolarHBondContact O-N 2.97Å; L1441-V1471 HydrophobicContact CD1-CG2 3.9Å |
| 1442 | L | 90.5 | Very high | 71.4 | Confident | 22 Ų | 22 | 80.3 Ų | 80.3 | 12% | 0.115 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 135.3 | 165.3 | -68.4 | 176 | 0 | 0 | 0 | 109.4 | W1402 I1412 C1413 L1415 R1467 E1468 | W1402-L1442 HydrophobicContact CH2-CB 3.56Å; W1402-L1442 HydrophobicContact CH2-CD1 4.32Å; W1402-L1442 HydrophobicContact CZ2-CB 4.39Å; W1402-L1442 HydrophobicContact CZ2-CD1 4.41Å; W1402-L1442 HydrophobicContact CZ3-CB 4.06Å; W1402-L1442 WeakPolarHBondContact CZ3-O 3.47Å; I1412-L1442 VanDerWaalsContact CA-O 3.3Å; I1412-L1442 WeakPolarHBondContact CA-O 3.33Å; C1413-L1442 PolarHBondContact N-O 3.39Å; C1413-L1442 PolarHBondContact O-N 3.1Å; L1415-L1442 HydrophobicContact CD1-CD1 3.93Å; L1415-L1442 HydrophobicContact CD1-CD2 3.79Å; L1415-L1442 HydrophobicContact CD1-CG 3.55Å; L1415-L1442 HydrophobicContact CD2-CD1 3.72Å; L1415-L1442 HydrophobicContact CD2-CG 4.13Å; L1415-L1442 HydrophobicContact CG-CD1 3.95Å; L1415-L1442 HydrophobicContact CG-CG 3.76Å; L1442-R1467 CarbonylContact C-O 3.57Å; L1442-R1467 WeakPolarHBondContact CA-O 3.12Å; L1442-E1468 HydrophobicContact CD2-CB 4.19Å |
| 1443 | I | 90.8 | Very high | 71 | Confident | 3 Ų | 3 | 83.8 Ų | 83.8 | 2% | 0.015 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 140.4 | 175.2 | -170.1 | 169.6 | 0 | 0 | 0 | 110.1 | W1337 V1340 E1341 I1410 P1466 R1467 V1469 | W1337-I1443 HydrophobicContact CE3-CD1 4.19Å; W1337-I1443 HydrophobicContact CZ3-CD1 4.48Å; V1340-I1443 HydrophobicContact CG1-CD1 4.22Å; E1341-I1443 HydrophobicContact CB-CD1 4.08Å; I1410-I1443 HydrophobicContact CG2-CD1 3.76Å; I1410-I1443 HydrophobicContact CG2-CG1 3.59Å; I1443-P1466 CarbonylContact O-C 3.18Å; I1443-P1466 VanDerWaalsContact O-CA 3.31Å; I1443-P1466 WeakPolarHBondContact O-CA 3.43Å; I1443-R1467 HydrophobicContact CG2-CB 3.97Å; I1443-R1467 WeakPolarHBondContact CG2-O 3.38Å; I1443-R1467 PolarHBondContact N-O 2.89Å; I1443-R1467 PolarHBondContact O-N 3.43Å; I1443-V1469 HydrophobicContact CB-CG2 4.43Å; I1443-V1469 HydrophobicContact CG2-CG2 3.81Å |
| 1444 | R | 87.9 | Confident | 70.3 | Confident | 85 Ų | 85 | 87.5 Ų | 87.5 | 32% | 0.321 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 157.9 | 170.9 | 71 | -178.7 | -175.1 | -178.7 | -0.7 | 111.5 | W1402 Q1411 P1466 | W1402-R1444 HydrophobicContact CE3-CG 4.16Å; W1402-R1444 HydrophobicContact CH2-CB 4.5Å; W1402-R1444 HydrophobicContact CH2-CG 4.05Å; W1402-R1444 HydrophobicContact CZ3-CB 4.42Å; W1402-R1444 HydrophobicContact CZ3-CG 3.75Å; Q1411-R1444 HydrophobicContact CB-CG 3.88Å; Q1411-R1444 PolarHBondContact N-O 2.64Å; Q1411-R1444 PolarHBondContact O-N 3Å; Q1411-R1444 VanDerWaalsContact OE1-CZ 3.27Å; R1444-P1466 HydrophobicContact CB-CB 4.35Å |
| 1445 | Q | 83.8 | Confident | 69.2 | Low | 79 Ų | 79 | 88.6 Ų | 88.6 | 37% | 0.369 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 143.7 | 168.9 | -62.8 | -170.6 | 0.1 | 0 | 0 | 110.5 | E1341 | E1341-Q1445 WeakPolarHBondContact OE1-CG 3.47Å; E1341-Q1445 PolarHBondContact OE1-NE2 3.04Å |
| 1446 | R | 76.7 | Confident | 67 | Low | 120 Ų | 120 | 96.5 Ų | 96.5 | 45% | 0.453 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -80.9 | 130.8 | 175.5 | -169.7 | -179.7 | -177 | 162.6 | 6.5 | 110.1 | D1404 G1408 R1409 Q1411 | D1404-R1446 VanDerWaalsContact CG-NH1 3.28Å; D1404-R1446 IonicContact OD1-NH1 3.84Å; D1404-R1446 PolarHBondContact OD1-NH1 3.36Å; D1404-R1446 IonicContact OD2-CZ 3.66Å; D1404-R1446 IonicContact OD2-NH1 3.45Å; D1404-R1446 PolarHBondContact OD2-NH1 3.03Å; D1404-R1446 IonicContact OD2-NH2 3.89Å; G1408-R1446 WeakPolarHBondContact O-CD 3.28Å; G1408-R1446 PolarHBondContact O-NH1 3.3Å; R1409-R1446 WeakPolarHBondContact O-CB 3.47Å; R1409-R1446 PolarHBondContact O-N 3.45Å; Q1411-R1446 HydrophobicContact CG-CB 4.4Å |
| 1447 | E | 67.1 | Low | 64.4 | Low | 141 Ų | 141 | 104.5 Ų | 104.5 | 66% | 0.659 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -68 | 130.1 | 172.5 | -68.2 | 178.7 | 177.8 | 0 | 0 | 110.1 | S1449 | E1447-S1449 PolarHBondContact O-N 2.86Å; E1447-S1449 VanDerWaalsContact O-N 3.09Å |
| 1448 | A | 59.3 | Low | 61.7 | Low | 84 Ų | 84 | 112.5 Ų | 112.5 | 69% | 0.694 | 53% | 0.533 | S | S | * | . | trans | -68.1 | 106.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | H1450 | A1448-H1450 PolarHBondContact O-N 2.84Š| ||
| 1449 | S | 49.4 | Very low | 59.1 | Low | 95 Ų | 95 | 119.2 Ų | 119.2 | 66% | 0.664 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -71.4 | 9.4 | -177 | 50.2 | 0 | 0 | 0 | 0 | 115.1 | E1447 | E1447-S1449 PolarHBondContact O-N 2.86Å; E1447-S1449 VanDerWaalsContact O-N 3.09Å |
| 1450 | H | 43.1 | Very low | 56.5 | Low | 170 Ų | 170 | 124.3 Ų | 124.3 | 79% | 0.787 | 60% | 0.596 | S | S | * | * | trans | -135.7 | 50.5 | -173.1 | -68.8 | -73.4 | 0 | 0 | 0 | 114.9 | A1448 | A1448-H1450 PolarHBondContact O-N 2.84Š| ||
| 1451 | L | 38.6 | Very low | 54 | Low | 154 Ų | 154 | 128.1 Ų | 128.1 | 81% | 0.806 | 62% | 0.623 | S | S | * | * | trans | -131.4 | 58.4 | 161.7 | -89.1 | 156.3 | 0 | 0 | 0 | 109.6 | ||||
| 1452 | K | 38.5 | Very low | 51.6 | Low | 203 Ų | 203 | 136.7 Ų | 136.7 | 88% | 0.883 | 66% | 0.663 | S | S | * | * | trans | -99.1 | 77.6 | 160.8 | -82.3 | -171.6 | 178.3 | -179.9 | 0 | 108.4 | ||||
| 1453 | Q | 34.9 | Very low | 49.5 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 73% | 0.734 | 69% | 0.692 | S | S | * | * | trans | -170.3 | 137.2 | 149.1 | -108.2 | 163.8 | 0.5 | 0 | 0 | 107.9 | ||||
| 1454 | Y | 38.4 | Very low | 48 | Very low | 228 Ų | 228 | 146.5 Ų | 146.5 | 89% | 0.894 | 71% | 0.712 | S | S | * | * | trans | 95.3 | 131.8 | -178.3 | -53.5 | -72.4 | 0 | 0 | 0 | 116.6 | ||||
| 1455 | S | 33 | Very low | 47.4 | Very low | 99 Ų | 99 | 151.4 Ų | 151.4 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | trans | -102.8 | 149 | -145.7 | 45.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1456 | Y | 31.3 | Very low | 47.4 | Very low | 219 Ų | 219 | 150.9 Ų | 150.9 | 86% | 0.859 | 74% | 0.739 | S | S | * | * | trans | 53.9 | 96.7 | 157.4 | -85.8 | -89.2 | 0 | 0 | 0 | 117.3 | ||||
| 1457 | Q | 33.2 | Very low | 48 | Very low | 176 Ų | 176 | 147.8 Ų | 147.8 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | trans | -157.5 | 122.1 | 130.1 | -105.6 | 167.6 | 15.4 | 0 | 0 | 108.8 | F1459 | Q1457-F1459 PolarHBondContact O-N 2.79Š| ||
| 1458 | Q | 32.5 | Very low | 49 | Very low | 190 Ų | 190 | 144.3 Ų | 144.3 | 89% | 0.888 | 71% | 0.711 | S | S | * | * | trans | -66.5 | 89 | 178.5 | -73.1 | 170.1 | -31.7 | 0 | 0 | 109.9 | ||||
| 1459 | F | 38 | Very low | 50.6 | Low | 175 Ų | 175 | 140.3 Ų | 140.3 | 77% | 0.768 | 68% | 0.679 | S | S | * | * | trans | -107.1 | 125.1 | 152.5 | -84.5 | -83.1 | 0 | 0 | 0 | 107.7 | Q1457 N1461 | Q1457-F1459 PolarHBondContact O-N 2.79Å; F1459-N1461 PolarHBondContact O-N 2.73Å; F1459-N1461 VanDerWaalsContact O-N 3.1Å | ||
| 1460 | T | 37.1 | Very low | 52.8 | Low | 128 Ų | 128 | 136.3 Ų | 136.3 | 79% | 0.785 | 65% | 0.651 | S | S | * | * | trans | -52.2 | 111.6 | -178.6 | 43.6 | 0 | 0 | 0 | 0 | 110.7 | E1462 | T1460-E1462 PolarHBondContact O-N 2.96Š| ||
| 1461 | N | 37.7 | Very low | 55.2 | Low | 161 Ų | 161 | 128.2 Ų | 128.2 | 86% | 0.861 | 61% | 0.613 | S | S | * | * | trans | -64 | 77.4 | 169.3 | -87.1 | -23 | 0 | 0 | 0 | 110.1 | F1459 K1463 | F1459-N1461 PolarHBondContact O-N 2.73Å; F1459-N1461 VanDerWaalsContact O-N 3.1Å; N1461-K1463 VanDerWaalsContact C-N 3.32Å; N1461-K1463 PolarHBondContact O-N 2.89Å | ||
| 1462 | E | 42.1 | Very low | 57.9 | Low | 181 Ų | 181 | 120.9 Ų | 120.9 | 85% | 0.846 | 58% | 0.575 | S | S | * | * | trans | -69 | 96.6 | 159.3 | -76.4 | -163.6 | 154.5 | 0 | 0 | 107.7 | T1460 S1464 | T1460-E1462 PolarHBondContact O-N 2.96Å; E1462-S1464 PolarHBondContact O-N 2.96Å | ||
| 1463 | K | 47.3 | Very low | 60.5 | Low | 168 Ų | 168 | 111.2 Ų | 111.2 | 73% | 0.73 | 53% | 0.533 | S | S | * | . | trans | -48.9 | 124.5 | 172.1 | -65.2 | -179 | 178.2 | -178.5 | 0 | 108.8 | N1461 K1465 | N1461-K1463 VanDerWaalsContact C-N 3.32Å; N1461-K1463 PolarHBondContact O-N 2.89Å; K1463-K1465 PolarHBondContact O-N 2.91Å | ||
| 1464 | S | 58.6 | Low | 63.3 | Low | 63 Ų | 63 | 103.8 Ų | 103.8 | 44% | 0.441 | 50% | 0.498 | S | S | . | . | trans | -56.2 | 112.2 | 179.5 | 73.4 | 0 | 0 | 0 | 0 | 109.7 | E1462 | E1462-S1464 PolarHBondContact O-N 2.96Š| ||
| 1465 | K | 74.3 | Confident | 65.4 | Low | 189 Ų | 189 | 94 Ų | 94 | 82% | 0.822 | 46% | 0.462 | S | S | * | . | trans | -71 | 135.8 | -178.9 | -74.9 | -179.9 | -178.5 | 171.7 | 0 | 108.8 | K1463 R1467 | K1463-K1465 PolarHBondContact O-N 2.91Å; K1465-R1467 PolarHBondContact O-N 3.2Å | ||
| 1466 | P | 84 | Confident | 67.3 | Low | 68 Ų | 68 | 89.5 Ų | 89.5 | 44% | 0.442 | 43% | 0.431 | S | S | . | . | trans | -63.2 | 137.6 | 174.3 | 27.1 | -33.3 | 0 | 0 | 0 | 110.1 | W1402 I1443 R1444 | W1402-P1466 HydrophobicContact CH2-CB 3.99Å; I1443-P1466 CarbonylContact O-C 3.18Å; I1443-P1466 VanDerWaalsContact O-CA 3.31Å; I1443-P1466 WeakPolarHBondContact O-CA 3.43Å; R1444-P1466 HydrophobicContact CB-CB 4.35Å | ||
| 1467 | R | 88.7 | Confident | 69.4 | Low | 54 Ų | 54 | 80.3 Ų | 80.3 | 20% | 0.204 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 143.9 | 179.2 | -176.6 | 169.9 | 60.7 | 72.5 | -1.5 | 110.1 | V1340 E1341 V1345 L1442 I1443 K1465 | V1340-R1467 PolarHBondContact O-NH2 3Å; E1341-R1467 IonicContact OE2-NH2 3.76Å; V1345-R1467 VanDerWaalsContact C-NH1 3.27Å; V1345-R1467 PolarHBondContact O-NH1 2.82Å; L1442-R1467 CarbonylContact C-O 3.57Å; L1442-R1467 WeakPolarHBondContact CA-O 3.12Å; I1443-R1467 HydrophobicContact CG2-CB 3.97Å; I1443-R1467 WeakPolarHBondContact CG2-O 3.38Å; I1443-R1467 PolarHBondContact N-O 2.89Å; I1443-R1467 PolarHBondContact O-N 3.43Å; K1465-R1467 PolarHBondContact O-N 3.2Å |
| 1468 | E | 90 | Very high | 71.8 | Confident | 68 Ų | 68 | 73.6 Ų | 73.6 | 32% | 0.318 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 138.2 | 175.9 | -168.3 | 172.7 | 158.4 | 0 | 0 | 111.2 | R1440 L1441 L1442 | R1440-E1468 IonicContact CZ-OE1 2.97Å; R1440-E1468 IonicContact CZ-OE2 3.52Å; R1440-E1468 IonicContact NE-OE1 3.99Å; R1440-E1468 PolarHBondContact NE-OE1 3.31Å; R1440-E1468 IonicContact NE-OE2 3.41Å; R1440-E1468 IonicContact NH2-OE1 3.43Å; R1440-E1468 PolarHBondContact NH2-OE1 2.96Å; R1440-E1468 IonicContact NH2-OE2 2.67Å; R1440-E1468 PolarHBondContact NH2-OE2 2.97Å; L1441-E1468 CarbonylContact O-C 3.58Å; L1441-E1468 WeakPolarHBondContact O-CA 3.37Å; L1442-E1468 HydrophobicContact CD2-CB 4.19Å |
| 1469 | V | 93 | Very high | 74.2 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 120 | 172.2 | -175.6 | 0 | 0 | 0 | 0 | 108.3 | V1340 V1345 S1346 I1348 L1441 I1443 | V1340-V1469 HydrophobicContact CG1-CG2 4.44Å; V1345-V1469 WeakPolarHBondContact O-CG2 3.4Å; S1346-V1469 WeakPolarHBondContact O-CA 3.29Å; I1348-V1469 HydrophobicContact CD1-CG1 3.87Å; I1348-V1469 HydrophobicContact CG1-CG1 4.09Å; L1441-V1469 HydrophobicContact CB-CB 4.39Å; L1441-V1469 PolarHBondContact N-O 2.98Å; L1441-V1469 PolarHBondContact O-N 2.97Å; I1443-V1469 HydrophobicContact CB-CG2 4.43Å; I1443-V1469 HydrophobicContact CG2-CG2 3.81Å |
| 1470 | S | 93.8 | Very high | 76 | Confident | 11 Ų | 11 | 63.8 Ų | 63.8 | 8% | 0.077 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 132.5 | 175.3 | -70.5 | 0 | 0 | 0 | 0 | 110.6 | S1346 C1347 I1348 K1438 R1439 | S1346-S1470 PolarHBondContact O-N 3.45Å; C1347-S1470 CarbonylContact C-O 3.53Å; C1347-S1470 WeakPolarHBondContact CA-O 3.48Å; I1348-S1470 PolarHBondContact N-O 2.81Å; K1438-S1470 VanDerWaalsContact CE-OG 3.23Å; K1438-S1470 WeakPolarHBondContact CE-OG 3.1Å; R1439-S1470 CarbonylContact O-C 3.54Å; R1439-S1470 WeakPolarHBondContact O-CA 3.48Å |
| 1471 | V | 95.1 | Very high | 77.9 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 123 | 174.8 | -171 | 0 | 0 | 0 | 0 | 109.2 | I1348 Y1364 K1438 R1439 L1441 | I1348-V1471 HydrophobicContact CB-CB 4.47Å; I1348-V1471 HydrophobicContact CB-CG1 4.2Å; I1348-V1471 HydrophobicContact CB-CG2 4.18Å; I1348-V1471 HydrophobicContact CD1-CG2 4.26Å; I1348-V1471 HydrophobicContact CG2-CG1 4.25Å; I1348-V1471 CarbonylContact O-C 3.37Å; I1348-V1471 VanDerWaalsContact O-CA 3.3Å; I1348-V1471 WeakPolarHBondContact O-CA 3.32Å; Y1364-V1471 WeakPolarHBondContact OH-CG1 3.37Å; K1438-V1471 CarbonylContact C-O 3.57Å; K1438-V1471 WeakPolarHBondContact CA-O 3.48Å; R1439-V1471 HydrophobicContact CB-CB 4.24Å; R1439-V1471 PolarHBondContact N-O 3.38Å; R1439-V1471 PolarHBondContact O-N 3.38Å; L1441-V1471 HydrophobicContact CD1-CG2 3.9Å |
| 1472 | F | 95.2 | Very high | 80 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 118.2 | 175.8 | -66.6 | -86.7 | 0 | 0 | 0 | 110.2 | I1348 I1349 D1350 V1421 I1436 Y1437 K1438 L1494 K1497 V1498 E1501 | I1348-F1472 PolarHBondContact O-N 2.67Å; I1349-F1472 WeakPolarHBondContact CA-O 3.03Å; D1350-F1472 PolarHBondContact N-O 2.89Å; V1421-F1472 HydrophobicContact CG2-CD1 4.22Å; V1421-F1472 HydrophobicContact CG2-CE1 4.19Å; I1436-F1472 HydrophobicContact CG2-CD1 4.34Å; Y1437-F1472 CarbonylContact O-C 3.54Å; Y1437-F1472 WeakPolarHBondContact O-CA 3.13Å; K1438-F1472 HydrophobicContact CB-CD1 4.19Å; K1438-F1472 HydrophobicContact CB-CE1 4.12Å; K1438-F1472 HydrophobicContact CD-CE1 4Å; K1438-F1472 HydrophobicContact CD-CZ 4.17Å; K1438-F1472 HydrophobicContact CG-CD1 4.35Å; K1438-F1472 HydrophobicContact CG-CE1 4.01Å; K1438-F1472 HydrophobicContact CG-CZ 4.4Å; F1472-L1494 HydrophobicContact CB-CD1 3.87Å; F1472-L1494 HydrophobicContact CD1-CD1 4.37Å; F1472-L1494 HydrophobicContact CG-CD1 4.22Å; F1472-K1497 HydrophobicContact CE1-CG 3.72Å; F1472-K1497 HydrophobicContact CZ-CG 4.03Å; F1472-V1498 HydrophobicContact CD2-CG2 4.06Å; F1472-V1498 HydrophobicContact CE2-CG2 4.14Å; F1472-V1498 HydrophobicContact CG-CG2 4.5Å; F1472-E1501 HydrophobicContact CZ-CB 4.48Å; F1472-E1501 VanDerWaalsContact CZ-OE2 3.26Å; F1472-E1501 WeakPolarHBondContact CZ-OE2 3.44Å |
| 1473 | H | 93.2 | Very high | 82.1 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 119 | 175.9 | -57.6 | -80.7 | 0 | 0 | 0 | 109.5 | D1350 P1353 W1365 M1377 Y1437 R1439 | D1350-H1473 IonicContact OD2-CE1 3.89Å; D1350-H1473 IonicContact OD2-CG 3.06Å; D1350-H1473 IonicContact OD2-ND1 2.78Å; D1350-H1473 PolarHBondContact OD2-ND1 3.48Å; P1353-H1473 HydrophobicContact CB-CB 4.22Å; P1353-H1473 HydrophobicContact CG-CB 4.3Å; W1365-H1473 AromaticContact CH2-CE1 3.72Å; W1365-H1473 AromaticContact CZ3-CE1 3.85Å; M1377-H1473 HydrophobicContact CE-CB 4.15Å; Y1437-H1473 PolarHBondContact N-O 3.15Å; Y1437-H1473 PolarHBondContact O-N 2.93Å; R1439-H1473 PolarHBondContact NE-NE2 2.98Å |
| 1474 | F | 92.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 117.1 | -179.7 | -178.4 | -97.9 | 0 | 0 | 0 | 111.4 | D1350 M1351 P1353 I1436 W1478 P1485 A1490 I1491 L1494 | D1350-F1474 PolarHBondContact O-N 2.93Å; M1351-F1474 HydrophobicContact CE-CB 4.5Å; M1351-F1474 HydrophobicContact CE-CD1 3.88Å; M1351-F1474 HydrophobicContact CE-CE1 4.32Å; M1351-F1474 HydrophobicContact CE-CG 4.15Å; M1351-F1474 HydrophobicContact SD-CB 3.72Å; M1351-F1474 HydrophobicContact SD-CD1 4.2Å; M1351-F1474 HydrophobicContact SD-CG 4Å; P1353-F1474 WeakPolarHBondContact CD-O 3.22Å; P1353-F1474 WeakPolarHBondContact CG-O 3.48Å; I1436-F1474 HydrophobicContact CG1-CD2 4.27Å; F1474-W1478 HydrophobicContact CD1-CZ2 4.13Å; F1474-W1478 AromaticContact CD1-NE1 3.83Å; F1474-W1478 HydrophobicContact CE1-CZ2 4.13Å; F1474-W1478 AromaticContact CE1-NE1 3.99Å; F1474-P1485 HydrophobicContact CE1-CB 4.14Å; F1474-P1485 HydrophobicContact CE1-CG 4.21Å; F1474-P1485 HydrophobicContact CZ-CB 4.05Å; F1474-P1485 HydrophobicContact CZ-CG 4.35Å; F1474-A1490 HydrophobicContact CE2-CB 3.58Å; F1474-A1490 HydrophobicContact CZ-CB 3.94Å; F1474-I1491 HydrophobicContact CD2-CD1 4.27Å; F1474-I1491 HydrophobicContact CE1-CD1 4.06Å; F1474-I1491 HydrophobicContact CE2-CD1 3.62Å; F1474-I1491 HydrophobicContact CE2-CG1 4.3Å; F1474-I1491 HydrophobicContact CZ-CD1 3.51Å; F1474-I1491 HydrophobicContact CZ-CG1 4.12Å; F1474-L1494 HydrophobicContact CB-CD2 4.41Å; F1474-L1494 HydrophobicContact CD2-CD2 3.97Å; F1474-L1494 HydrophobicContact CG-CD2 4.46Å |
| 1475 | T | 83.2 | Confident | 85.6 | Confident | 22 Ų | 22 | 45 Ų | 45 | 14% | 0.135 | 24% | 0.239 | C | C | . | . | trans | -112.1 | 8.1 | -177.9 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | P1353 F1354 F1378 H1434 E1435 Y1437 G1477 | P1353-T1475 HydrophobicContact CG-CG2 3.89Å; F1354-T1475 HydrophobicContact CE2-CG2 3.81Å; F1354-T1475 HydrophobicContact CZ-CG2 3.76Å; F1378-T1475 HydrophobicContact CD2-CG2 3.85Å; F1378-T1475 HydrophobicContact CE2-CG2 3.27Å; F1378-T1475 HydrophobicContact CZ-CG2 3.75Å; H1434-T1475 PolarHBondContact O-OG1 3.43Å; H1434-T1475 VanDerWaalsContact O-OG1 3.12Å; E1435-T1475 VanDerWaalsContact CA-OG1 3.23Å; E1435-T1475 WeakPolarHBondContact CA-OG1 3.39Å; E1435-T1475 PolarHBondContact O-N 3.37Å; E1435-T1475 PolarHBondContact O-OG1 2.91Å; Y1437-T1475 HydrophobicContact CD2-CG2 3.88Å; Y1437-T1475 HydrophobicContact CE2-CG2 3.93Å; T1475-G1477 PolarHBondContact O-N 3.18Å | ||
| 1476 | G | 72.1 | Confident | 86 | Confident | 5 Ų | 5 | 43 Ų | 43 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -67.2 | 29.3 | -166.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | E1435 | E1435-G1476 PolarHBondContact O-N 2.83Š|
| 1477 | G | 75.9 | Confident | 85.8 | Confident | 26 Ų | 26 | 40.9 Ų | 40.9 | 27% | 0.268 | 22% | 0.22 | S | C | . | . | trans | 70 | 117.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1475 P1485 E1486 | T1475-G1477 PolarHBondContact O-N 3.18Å; G1477-P1485 CarbonylContact O-C 3.51Å; G1477-P1485 VanDerWaalsContact O-CA 3.26Å; G1477-P1485 WeakPolarHBondContact O-CA 2.95Å; G1477-E1486 PolarHBondContact O-N 3.15Å | ||
| 1478 | W | 84.8 | Confident | 85.7 | Confident | 36 Ų | 36 | 42.4 Ų | 42.4 | 14% | 0.136 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -105.7 | 124.5 | 175.3 | -72.1 | 93 | 0 | 0 | 0 | 109.9 | M1351 F1474 A1480 P1485 R1517 L1520 | M1351-W1478 HydrophobicContact CB-CZ2 4.32Å; M1351-W1478 HydrophobicContact CE-CH2 3.87Å; M1351-W1478 HydrophobicContact CE-CZ2 3.47Å; M1351-W1478 VanDerWaalsContact CE-CZ2 3.47Å; M1351-W1478 PolarHBondContact O-NE1 2.82Å; F1474-W1478 HydrophobicContact CD1-CZ2 4.13Å; F1474-W1478 AromaticContact CD1-NE1 3.83Å; F1474-W1478 HydrophobicContact CE1-CZ2 4.13Å; F1474-W1478 AromaticContact CE1-NE1 3.99Å; W1478-A1480 PolarHBondContact O-N 3.05Å; W1478-A1480 VanDerWaalsContact O-N 3.14Å; W1478-P1485 HydrophobicContact CE3-CG 4.19Å; W1478-P1485 HydrophobicContact CH2-CG 3.75Å; W1478-P1485 HydrophobicContact CZ2-CG 4.16Å; W1478-P1485 VanDerWaalsContact CZ3-CD 3.45Å; W1478-P1485 HydrophobicContact CZ3-CG 3.78Å; W1478-R1517 HydrophobicContact CD2-CG 4.11Å; W1478-R1517 HydrophobicContact CE3-CG 3.84Å; W1478-R1517 HydrophobicContact CH2-CB 3.44Å; W1478-R1517 VanDerWaalsContact CH2-CB 3.44Å; W1478-R1517 HydrophobicContact CH2-CG 3.59Å; W1478-R1517 HydrophobicContact CZ2-CB 3.65Å; W1478-R1517 HydrophobicContact CZ2-CG 3.84Å; W1478-R1517 HydrophobicContact CZ3-CB 3.95Å; W1478-R1517 HydrophobicContact CZ3-CG 3.57Å; W1478-L1520 HydrophobicContact CH2-CD2 4.43Å; W1478-L1520 HydrophobicContact CZ3-CD2 4.12Å |
| 1479 | N | 82.4 | Confident | 85.3 | Confident | 56 Ų | 56 | 42 Ų | 42 | 30% | 0.299 | 23% | 0.225 | S | C | . | . | trans | -66.9 | 113 | 172.3 | -178.6 | -46.8 | 0 | 0 | 0 | 109.1 | K1481 M1482 D1483 V1484 | N1479-K1481 PolarHBondContact O-N 2.72Å; N1479-K1481 VanDerWaalsContact O-N 3.15Å; N1479-K1481 WeakPolarHBondContact OD1-CA 3.36Å; N1479-K1481 WeakPolarHBondContact OD1-CB 3.3Å; N1479-K1481 PolarHBondContact OD1-N 2.75Å; N1479-M1482 HydrophobicContact CB-CB 4.4Å; N1479-M1482 PolarHBondContact O-N 3.22Å; N1479-M1482 PolarHBondContact OD1-N 2.88Å; N1479-D1483 VanDerWaalsContact O-CA 3.29Å; N1479-D1483 WeakPolarHBondContact O-CA 3.26Å; N1479-D1483 PolarHBondContact O-N 2.03Å; N1479-V1484 HydrophobicContact CB-CG2 4.46Å; N1479-V1484 PolarHBondContact N-O 2.86Å | ||
| 1480 | A | 75.3 | Confident | 84.9 | Confident | 102 Ų | 102 | 42 Ų | 42 | 84% | 0.843 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -26.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | W1478 | W1478-A1480 PolarHBondContact O-N 3.05Å; W1478-A1480 VanDerWaalsContact O-N 3.14Å |
| 1481 | K | 77.9 | Confident | 84.7 | Confident | 199 Ų | 199 | 41.6 Ų | 41.6 | 87% | 0.865 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -39.9 | -178.7 | -172.6 | 178.4 | -179.7 | 179.7 | 0 | 112.7 | N1479 | N1479-K1481 PolarHBondContact O-N 2.72Å; N1479-K1481 VanDerWaalsContact O-N 3.15Å; N1479-K1481 WeakPolarHBondContact OD1-CA 3.36Å; N1479-K1481 WeakPolarHBondContact OD1-CB 3.3Å; N1479-K1481 PolarHBondContact OD1-N 2.75Å |
| 1482 | M | 80.4 | Confident | 84.4 | Confident | 57 Ų | 57 | 41.9 Ų | 41.9 | 28% | 0.281 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -15.1 | -173.5 | -64.6 | 172.9 | 74 | 0 | 0 | 113.3 | N1479 V1484 D1558 | N1479-M1482 HydrophobicContact CB-CB 4.4Å; N1479-M1482 PolarHBondContact O-N 3.22Å; N1479-M1482 PolarHBondContact OD1-N 2.88Å; M1482-V1484 VanDerWaalsContact C-N 3.3Å; M1482-V1484 HydrophobicContact CB-CG2 3.79Å; M1482-V1484 PolarHBondContact O-N 3.07Å; M1482-D1558 HydrophobicContact CB-CB 4.3Å; M1482-D1558 HydrophobicContact CE-CB 3.58Å; M1482-D1558 HydrophobicContact CG-CB 4.39Å |
| 1483 | D | 86.7 | Confident | 83.9 | Confident | 34 Ų | 34 | 47 Ų | 47 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | trans | 48.8 | 48.6 | -172.9 | -152.3 | 37.5 | 0 | 0 | 0 | 113 | N1479 T1516 R1517 Q1559 | N1479-D1483 VanDerWaalsContact O-CA 3.29Å; N1479-D1483 WeakPolarHBondContact O-CA 3.26Å; N1479-D1483 PolarHBondContact O-N 2.03Å; D1483-T1516 HydrophobicContact CB-CG2 4.47Å; D1483-T1516 WeakPolarHBondContact OD2-CG2 3.39Å; D1483-R1517 IonicContact OD1-CZ 2.9Å; D1483-R1517 VanDerWaalsContact OD1-CZ 3.32Å; D1483-R1517 IonicContact OD1-NE 3.66Å; D1483-R1517 PolarHBondContact OD1-NE 3.29Å; D1483-R1517 IonicContact OD1-NH2 3.88Å; D1483-R1517 PolarHBondContact OD1-NH2 2.93Å; D1483-R1517 IonicContact OD2-NE 3.55Å; D1483-Q1559 PolarHBondContact O-NE2 3.18Å | ||
| 1484 | V | 90.5 | Very high | 83.8 | Confident | 11 Ų | 11 | 47 Ų | 47 | 7% | 0.067 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -127.5 | 150.6 | 173.6 | -64.4 | 0 | 0 | 0 | 0 | 109.9 | N1479 M1482 L1520 Q1559 F1562 | N1479-V1484 HydrophobicContact CB-CG2 4.46Å; N1479-V1484 PolarHBondContact N-O 2.86Å; M1482-V1484 VanDerWaalsContact C-N 3.3Å; M1482-V1484 HydrophobicContact CB-CG2 3.79Å; M1482-V1484 PolarHBondContact O-N 3.07Å; V1484-L1520 HydrophobicContact CG1-CD2 4.21Å; V1484-Q1559 HydrophobicContact CG1-CB 4.38Å; V1484-Q1559 HydrophobicContact CG1-CG 3.72Å; V1484-F1562 HydrophobicContact CB-CB 4.29Å; V1484-F1562 HydrophobicContact CB-CD2 3.82Å; V1484-F1562 HydrophobicContact CB-CE2 4.43Å; V1484-F1562 HydrophobicContact CB-CG 4.15Å; V1484-F1562 HydrophobicContact CG1-CB 3.8Å; V1484-F1562 HydrophobicContact CG1-CD2 4.28Å; V1484-F1562 HydrophobicContact CG1-CG 4.12Å; V1484-F1562 HydrophobicContact CG2-CD2 4.34Å |
| 1485 | P | 88.7 | Confident | 83.7 | Confident | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.032 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -63.6 | 143.3 | 174.7 | -21.1 | 32.9 | 0 | 0 | 0 | 112.3 | F1474 G1477 W1478 I1491 F1562 | F1474-P1485 HydrophobicContact CE1-CB 4.14Å; F1474-P1485 HydrophobicContact CE1-CG 4.21Å; F1474-P1485 HydrophobicContact CZ-CB 4.05Å; F1474-P1485 HydrophobicContact CZ-CG 4.35Å; G1477-P1485 CarbonylContact O-C 3.51Å; G1477-P1485 VanDerWaalsContact O-CA 3.26Å; G1477-P1485 WeakPolarHBondContact O-CA 2.95Å; W1478-P1485 HydrophobicContact CE3-CG 4.19Å; W1478-P1485 HydrophobicContact CH2-CG 3.75Å; W1478-P1485 HydrophobicContact CZ2-CG 4.16Å; W1478-P1485 VanDerWaalsContact CZ3-CD 3.45Å; W1478-P1485 HydrophobicContact CZ3-CG 3.78Å; P1485-I1491 HydrophobicContact CB-CG1 4.31Å; P1485-I1491 HydrophobicContact CG-CD1 3.95Å; P1485-I1491 HydrophobicContact CG-CG1 3.98Å; P1485-F1562 HydrophobicContact CB-CE2 4.26Å; P1485-F1562 HydrophobicContact CB-CZ 4.15Å; P1485-F1562 HydrophobicContact CG-CE2 4.29Å; P1485-F1562 HydrophobicContact CG-CZ 3.89Å; P1485-F1562 WeakPolarHBondContact O-CE2 3.47Å |
| 1486 | E | 82.1 | Confident | 83.9 | Confident | 147 Ų | 147 | 48.5 Ų | 48.5 | 69% | 0.687 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -67.9 | -40.9 | 173.3 | -67.1 | -173.6 | 172.3 | 0 | 0 | 111 | G1477 | G1477-E1486 PolarHBondContact O-N 3.15Š|
| 1487 | S | 81.1 | Confident | 84.5 | Confident | 24 Ų | 24 | 50.8 Ų | 50.8 | 17% | 0.168 | 26% | 0.257 | C | S | . | . | trans | -101.3 | 104.4 | -178.3 | -178.3 | 0 | 0 | 0 | 0 | 111.9 | E1435 I1489 A1490 | E1435-S1487 WeakPolarHBondContact OE1-CB 3.23Å; E1435-S1487 PolarHBondContact OE1-OG 2.87Å; E1435-S1487 PolarHBondContact OE2-OG 3.46Å; S1487-I1489 VanDerWaalsContact C-N 3.26Å; S1487-I1489 PolarHBondContact O-N 2.97Å; S1487-A1490 WeakPolarHBondContact O-CB 3.12Å; S1487-A1490 PolarHBondContact O-N 2.87Å; S1487-A1490 PolarHBondContact OG-N 3.46Å | ||
| 1488 | R | 85.4 | Confident | 85.1 | Confident | 86 Ų | 86 | 49.6 Ų | 49.6 | 33% | 0.325 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.4 | -35.2 | 170.2 | -71.4 | -175.6 | -66.7 | -91.4 | 0 | 112.2 | A1490 I1491 V1492 F1562 | R1488-A1490 VanDerWaalsContact C-N 3.27Å; R1488-A1490 PolarHBondContact O-N 2.95Å; R1488-I1491 PolarHBondContact O-N 3.01Å; R1488-V1492 PolarHBondContact O-N 2.84Å; R1488-F1562 HydrophobicContact CG-CD2 4.19Å; R1488-F1562 HydrophobicContact CG-CE2 3.5Å; R1488-F1562 VanDerWaalsContact CG-CE2 3.5Å; R1488-F1562 HydrophobicContact CG-CZ 3.83Å |
| 1489 | I | 82.8 | Confident | 85 | Confident | 60 Ų | 60 | 51.6 Ų | 51.6 | 31% | 0.308 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.9 | -34.1 | -179.1 | -67.6 | 157.9 | 0 | 0 | 0 | 110.3 | S1487 I1491 V1492 R1493 Q1569 | S1487-I1489 VanDerWaalsContact C-N 3.26Å; S1487-I1489 PolarHBondContact O-N 2.97Å; I1489-I1491 VanDerWaalsContact C-N 3.3Å; I1489-I1491 PolarHBondContact O-N 2.96Å; I1489-V1492 PolarHBondContact O-N 2.84Å; I1489-R1493 HydrophobicContact CG2-CG 4.31Å; I1489-R1493 WeakPolarHBondContact O-CB 3.46Å; I1489-R1493 VanDerWaalsContact O-CG 3.27Å; I1489-R1493 WeakPolarHBondContact O-CG 3.37Å; I1489-R1493 PolarHBondContact O-N 3.32Å; I1489-Q1569 HydrophobicContact CG1-CG 4.45Å |
| 1490 | A | 84.2 | Confident | 85 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.7 | -43 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | E1435 I1436 F1474 S1487 R1488 R1493 L1494 | E1435-A1490 HydrophobicContact CB-CB 4.17Å; E1435-A1490 WeakPolarHBondContact OE2-CB 3.32Å; I1436-A1490 WeakPolarHBondContact CD1-O 3.44Å; F1474-A1490 HydrophobicContact CE2-CB 3.58Å; F1474-A1490 HydrophobicContact CZ-CB 3.94Å; S1487-A1490 WeakPolarHBondContact O-CB 3.12Å; S1487-A1490 PolarHBondContact O-N 2.87Å; S1487-A1490 PolarHBondContact OG-N 3.46Å; R1488-A1490 VanDerWaalsContact C-N 3.27Å; R1488-A1490 PolarHBondContact O-N 2.95Å; A1490-R1493 WeakPolarHBondContact O-CB 3.42Å; A1490-R1493 PolarHBondContact O-N 3.12Å; A1490-L1494 WeakPolarHBondContact O-CB 3.45Å; A1490-L1494 PolarHBondContact O-N 2.82Å |
| 1491 | I | 89.2 | Confident | 85.3 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.7 | -44.2 | 177.8 | -61 | -66.9 | 0 | 0 | 0 | 111 | M1351 F1474 P1485 R1488 I1489 R1493 L1494 L1495 L1521 F1562 F1566 | M1351-I1491 HydrophobicContact CE-CD1 3.86Å; F1474-I1491 HydrophobicContact CD2-CD1 4.27Å; F1474-I1491 HydrophobicContact CE1-CD1 4.06Å; F1474-I1491 HydrophobicContact CE2-CD1 3.62Å; F1474-I1491 HydrophobicContact CE2-CG1 4.3Å; F1474-I1491 HydrophobicContact CZ-CD1 3.51Å; F1474-I1491 HydrophobicContact CZ-CG1 4.12Å; P1485-I1491 HydrophobicContact CB-CG1 4.31Å; P1485-I1491 HydrophobicContact CG-CD1 3.95Å; P1485-I1491 HydrophobicContact CG-CG1 3.98Å; R1488-I1491 PolarHBondContact O-N 3.01Å; I1489-I1491 VanDerWaalsContact C-N 3.3Å; I1489-I1491 PolarHBondContact O-N 2.96Å; I1491-R1493 VanDerWaalsContact C-N 3.3Å; I1491-R1493 PolarHBondContact O-N 2.78Å; I1491-L1494 PolarHBondContact O-N 2.89Å; I1491-L1495 HydrophobicContact CG2-CD1 4.16Å; I1491-L1495 HydrophobicContact CG2-CG 4.34Å; I1491-L1495 WeakPolarHBondContact O-CG 3.41Å; I1491-L1495 PolarHBondContact O-N 2.86Å; I1491-L1521 HydrophobicContact CD1-CD1 4.04Å; I1491-L1521 HydrophobicContact CG2-CD1 3.87Å; I1491-F1562 HydrophobicContact CG1-CZ 4.25Å; I1491-F1566 HydrophobicContact CB-CD2 4.36Å; I1491-F1566 HydrophobicContact CB-CE2 4.36Å; I1491-F1566 HydrophobicContact CG2-CD2 3.93Å; I1491-F1566 HydrophobicContact CG2-CE2 3.68Å; I1491-F1566 HydrophobicContact CG2-CZ 4.47Å |
| 1492 | V | 88 | Confident | 85.6 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 4% | 0.036 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55 | -49.6 | 175.1 | 175.6 | 0 | 0 | 0 | 0 | 110.2 | R1488 I1489 L1494 L1495 E1496 F1566 Q1569 W1570 | R1488-V1492 PolarHBondContact O-N 2.84Å; I1489-V1492 PolarHBondContact O-N 2.84Å; V1492-L1494 PolarHBondContact O-N 2.91Å; V1492-L1495 PolarHBondContact O-N 3.17Å; V1492-E1496 HydrophobicContact CG1-CG 4.48Å; V1492-E1496 WeakPolarHBondContact O-CG 3.49Å; V1492-E1496 PolarHBondContact O-N 3.49Å; V1492-F1566 HydrophobicContact CG2-CD2 4.14Å; V1492-F1566 HydrophobicContact CG2-CE2 3.79Å; V1492-Q1569 HydrophobicContact CG2-CG 4.19Å; V1492-W1570 HydrophobicContact CB-CE3 4.3Å; V1492-W1570 HydrophobicContact CG1-CE3 3.88Å; V1492-W1570 HydrophobicContact CG1-CZ3 4.04Å; V1492-W1570 HydrophobicContact CG2-CE3 4.2Å |
| 1493 | R | 86.1 | Confident | 85.7 | Confident | 108 Ų | 108 | 45.8 Ų | 45.8 | 41% | 0.408 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.7 | -46.4 | 177.6 | -76.6 | -178.5 | -178.4 | 168.6 | 0.9 | 112.8 | I1423 I1436 I1489 A1490 I1491 L1495 E1496 K1497 | I1423-R1493 VanDerWaalsContact CD1-C 3.47Å; I1423-R1493 VanDerWaalsContact CD1-CA 3.45Å; I1423-R1493 HydrophobicContact CD1-CB 3.37Å; I1423-R1493 HydrophobicContact CD1-CG 3.78Å; I1423-R1493 WeakPolarHBondContact CD1-O 3.47Å; I1436-R1493 HydrophobicContact CD1-CB 3.97Å; I1489-R1493 HydrophobicContact CG2-CG 4.31Å; I1489-R1493 WeakPolarHBondContact O-CB 3.46Å; I1489-R1493 VanDerWaalsContact O-CG 3.27Å; I1489-R1493 WeakPolarHBondContact O-CG 3.37Å; I1489-R1493 PolarHBondContact O-N 3.32Å; A1490-R1493 WeakPolarHBondContact O-CB 3.42Å; A1490-R1493 PolarHBondContact O-N 3.12Å; I1491-R1493 VanDerWaalsContact C-N 3.3Å; I1491-R1493 PolarHBondContact O-N 2.78Å; R1493-L1495 VanDerWaalsContact C-N 3.35Å; R1493-L1495 PolarHBondContact O-N 2.85Å; R1493-E1496 PolarHBondContact O-N 2.97Å; R1493-K1497 PolarHBondContact O-N 2.8Å |
| 1494 | L | 90.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.6 | -49.9 | 176.9 | 175.3 | 62.9 | 0 | 0 | 0 | 110.7 | I1349 M1351 I1436 F1472 F1474 A1490 I1491 V1492 K1497 V1498 L1521 | I1349-L1494 HydrophobicContact CG2-CD2 4.06Å; M1351-L1494 HydrophobicContact SD-CD2 4.15Å; I1436-L1494 HydrophobicContact CD1-CB 3.82Å; I1436-L1494 HydrophobicContact CG2-CD1 3.97Å; F1472-L1494 HydrophobicContact CB-CD1 3.87Å; F1472-L1494 HydrophobicContact CD1-CD1 4.37Å; F1472-L1494 HydrophobicContact CG-CD1 4.22Å; F1474-L1494 HydrophobicContact CB-CD2 4.41Å; F1474-L1494 HydrophobicContact CD2-CD2 3.97Å; F1474-L1494 HydrophobicContact CG-CD2 4.46Å; A1490-L1494 WeakPolarHBondContact O-CB 3.45Å; A1490-L1494 PolarHBondContact O-N 2.82Å; I1491-L1494 PolarHBondContact O-N 2.89Å; V1492-L1494 PolarHBondContact O-N 2.91Å; L1494-K1497 PolarHBondContact O-N 2.9Å; L1494-V1498 HydrophobicContact CD1-CG2 4.07Å; L1494-V1498 HydrophobicContact CG-CG2 4.42Å; L1494-V1498 WeakPolarHBondContact O-CB 3.34Å; L1494-V1498 VanDerWaalsContact O-CG2 3.24Å; L1494-V1498 WeakPolarHBondContact O-CG2 3.45Å; L1494-V1498 PolarHBondContact O-N 2.85Å; L1494-L1521 HydrophobicContact CD2-CD1 4.14Å; L1494-L1521 HydrophobicContact CD2-CD2 4.19Å |
| 1495 | L | 90.7 | Very high | 85.1 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.6 | -39.4 | -177.2 | -65.6 | -174.9 | 0 | 0 | 0 | 112.4 | I1491 V1492 R1493 K1497 V1498 R1499 L1521 Y1525 F1566 W1570 | I1491-L1495 HydrophobicContact CG2-CD1 4.16Å; I1491-L1495 HydrophobicContact CG2-CG 4.34Å; I1491-L1495 WeakPolarHBondContact O-CG 3.41Å; I1491-L1495 PolarHBondContact O-N 2.86Å; V1492-L1495 PolarHBondContact O-N 3.17Å; R1493-L1495 VanDerWaalsContact C-N 3.35Å; R1493-L1495 PolarHBondContact O-N 2.85Å; L1495-K1497 VanDerWaalsContact C-N 3.31Å; L1495-K1497 PolarHBondContact O-N 3.41Å; L1495-V1498 PolarHBondContact O-N 2.85Å; L1495-R1499 WeakPolarHBondContact O-CB 3.25Å; L1495-R1499 VanDerWaalsContact O-CG 3.28Å; L1495-R1499 WeakPolarHBondContact O-CG 3.33Å; L1495-R1499 PolarHBondContact O-N 3.4Å; L1495-L1521 HydrophobicContact CD2-CD1 3.83Å; L1495-L1521 HydrophobicContact CD2-CG 4.34Å; L1495-L1521 HydrophobicContact CG-CD1 4.33Å; L1495-Y1525 HydrophobicContact CD1-CD2 4.34Å; L1495-Y1525 HydrophobicContact CD2-CD2 3.64Å; L1495-Y1525 HydrophobicContact CD2-CG 4.23Å; L1495-Y1525 HydrophobicContact CG-CD2 4.4Å; L1495-F1566 HydrophobicContact CD1-CE2 4.18Å; L1495-F1566 HydrophobicContact CD1-CZ 3.69Å; L1495-W1570 HydrophobicContact CB-CH2 4.2Å; L1495-W1570 HydrophobicContact CB-CZ3 3.83Å; L1495-W1570 HydrophobicContact CD1-CZ3 4.47Å |
| 1496 | E | 86.8 | Confident | 85.3 | Confident | 53 Ų | 53 | 51.7 Ų | 51.7 | 25% | 0.248 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.2 | -43.9 | 172.4 | -75.6 | 178.1 | 162.1 | 0 | 0 | 111.5 | V1492 R1493 R1499 L1500 W1570 T1574 | V1492-E1496 HydrophobicContact CG1-CG 4.48Å; V1492-E1496 WeakPolarHBondContact O-CG 3.49Å; V1492-E1496 PolarHBondContact O-N 3.49Å; R1493-E1496 PolarHBondContact O-N 2.97Å; E1496-R1499 PolarHBondContact O-N 3.45Å; E1496-L1500 WeakPolarHBondContact O-CG 3.47Å; E1496-L1500 PolarHBondContact O-N 2.03Å; E1496-W1570 HydrophobicContact CG-CH2 4.08Å; E1496-W1570 HydrophobicContact CG-CZ3 4.16Å; E1496-T1574 PolarHBondContact OE1-OG1 2.78Å |
| 1497 | K | 85.2 | Confident | 85.9 | Confident | 53 Ų | 53 | 44.9 Ų | 44.9 | 23% | 0.23 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.4 | -43.1 | 178.6 | -169.5 | 61.5 | 169.3 | 163.1 | 0 | 112.2 | V1421 I1423 F1472 R1493 L1494 L1495 R1499 L1500 E1501 | V1421-K1497 HydrophobicContact CG1-CB 4.31Å; V1421-K1497 HydrophobicContact CG1-CD 4.11Å; V1421-K1497 HydrophobicContact CG1-CG 3.8Å; I1423-K1497 HydrophobicContact CD1-CB 4.34Å; F1472-K1497 HydrophobicContact CE1-CG 3.72Å; F1472-K1497 HydrophobicContact CZ-CG 4.03Å; R1493-K1497 PolarHBondContact O-N 2.8Å; L1494-K1497 PolarHBondContact O-N 2.9Å; L1495-K1497 VanDerWaalsContact C-N 3.31Å; L1495-K1497 PolarHBondContact O-N 3.41Å; K1497-R1499 VanDerWaalsContact C-N 3.34Å; K1497-L1500 PolarHBondContact O-N 3.44Å; K1497-E1501 HydrophobicContact CD-CG 4.31Å; K1497-E1501 WeakPolarHBondContact CE-OE1 3.38Å; K1497-E1501 IonicContact NZ-OE1 3.27Å; K1497-E1501 PolarHBondContact NZ-OE1 3.17Å; K1497-E1501 PolarHBondContact O-N 3.45Å; K1497-E1501 VanDerWaalsContact O-N 3.09Å |
| 1498 | V | 88.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.9 | -41.1 | 177.5 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | I1349 F1472 L1494 L1495 L1500 E1501 R1502 L1507 | I1349-V1498 HydrophobicContact CD1-CG1 4.3Å; I1349-V1498 HydrophobicContact CD1-CG2 3.74Å; I1349-V1498 HydrophobicContact CG1-CG2 4.23Å; F1472-V1498 HydrophobicContact CD2-CG2 4.06Å; F1472-V1498 HydrophobicContact CE2-CG2 4.14Å; F1472-V1498 HydrophobicContact CG-CG2 4.5Å; L1494-V1498 HydrophobicContact CD1-CG2 4.07Å; L1494-V1498 HydrophobicContact CG-CG2 4.42Å; L1494-V1498 WeakPolarHBondContact O-CB 3.34Å; L1494-V1498 VanDerWaalsContact O-CG2 3.24Å; L1494-V1498 WeakPolarHBondContact O-CG2 3.45Å; L1494-V1498 PolarHBondContact O-N 2.85Å; L1495-V1498 PolarHBondContact O-N 2.85Å; V1498-L1500 PolarHBondContact O-N 2.73Å; V1498-E1501 PolarHBondContact O-N 3.14Å; V1498-R1502 HydrophobicContact CG1-CB 4.41Å; V1498-R1502 WeakPolarHBondContact O-CB 3.43Å; V1498-R1502 WeakPolarHBondContact O-CG 3.42Å; V1498-R1502 PolarHBondContact O-N 3.14Å; V1498-L1507 HydrophobicContact CG1-CD1 4.08Å; V1498-L1507 HydrophobicContact CG1-CD2 4.06Å |
| 1499 | R | 83.1 | Confident | 87.3 | Confident | 78 Ų | 78 | 39.7 Ų | 39.7 | 29% | 0.294 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58 | -36.6 | 175.6 | -77.2 | 176.2 | 74.6 | 138.9 | -3.7 | 112.9 | L1495 E1496 K1497 Y1525 E1529 T1532 | L1495-R1499 WeakPolarHBondContact O-CB 3.25Å; L1495-R1499 VanDerWaalsContact O-CG 3.28Å; L1495-R1499 WeakPolarHBondContact O-CG 3.33Å; L1495-R1499 PolarHBondContact O-N 3.4Å; E1496-R1499 PolarHBondContact O-N 3.45Å; K1497-R1499 VanDerWaalsContact C-N 3.34Å; R1499-Y1525 HydrophobicContact CG-CE2 4.34Å; R1499-E1529 WeakPolarHBondContact CD-OE1 3.45Å; R1499-E1529 WeakPolarHBondContact CG-OE1 3.49Å; R1499-E1529 IonicContact CZ-OE1 3.23Å; R1499-E1529 IonicContact CZ-OE2 3.88Å; R1499-E1529 IonicContact NE-OE1 2.63Å; R1499-E1529 PolarHBondContact NE-OE1 3.04Å; R1499-E1529 VanDerWaalsContact NE-OE1 3.13Å; R1499-E1529 IonicContact NE-OE2 3.37Å; R1499-E1529 IonicContact NH1-OE1 2.8Å; R1499-E1529 PolarHBondContact NH1-OE1 2.83Å; R1499-E1529 IonicContact NH1-OE2 2.77Å; R1499-E1529 IonicContact NH2-OE2 3.65Å; R1499-T1532 PolarHBondContact NH1-OG1 3.35Å |
| 1500 | L | 82 | Confident | 88 | Confident | 125 Ų | 125 | 36.8 Ų | 36.8 | 65% | 0.654 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -80.7 | -30.8 | -178.5 | -67.9 | 170.8 | 0 | 0 | 0 | 113.5 | E1496 K1497 V1498 | E1496-L1500 WeakPolarHBondContact O-CG 3.47Å; E1496-L1500 PolarHBondContact O-N 2.03Å; K1497-L1500 PolarHBondContact O-N 3.44Å; V1498-L1500 PolarHBondContact O-N 2.73Å |
| 1501 | E | 82.1 | Confident | 88.4 | Confident | 65 Ų | 65 | 36.8 Ų | 36.8 | 30% | 0.304 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -110.5 | -10.7 | -170.9 | -62.8 | -166.8 | 159.2 | 0 | 0 | 114.7 | K1438 F1472 K1497 V1498 G1503 | K1438-E1501 VanDerWaalsContact CE-OE2 3.3Å; K1438-E1501 WeakPolarHBondContact CE-OE2 3.46Å; K1438-E1501 IonicContact NZ-OE1 3.14Å; K1438-E1501 PolarHBondContact NZ-OE1 2.95Å; K1438-E1501 IonicContact NZ-OE2 2.8Å; K1438-E1501 PolarHBondContact NZ-OE2 2.63Å; F1472-E1501 HydrophobicContact CZ-CB 4.48Å; F1472-E1501 VanDerWaalsContact CZ-OE2 3.26Å; F1472-E1501 WeakPolarHBondContact CZ-OE2 3.44Å; K1497-E1501 HydrophobicContact CD-CG 4.31Å; K1497-E1501 WeakPolarHBondContact CE-OE1 3.38Å; K1497-E1501 IonicContact NZ-OE1 3.27Å; K1497-E1501 PolarHBondContact NZ-OE1 3.17Å; K1497-E1501 PolarHBondContact O-N 3.45Å; K1497-E1501 VanDerWaalsContact O-N 3.09Å; V1498-E1501 PolarHBondContact O-N 3.14Å; E1501-G1503 PolarHBondContact O-N 3.27Å |
| 1502 | R | 83.8 | Confident | 88.6 | Confident | 65 Ų | 65 | 37.5 Ų | 37.5 | 25% | 0.245 | 19% | 0.193 | C | C | . | . | trans | -65.4 | 134.9 | 176.7 | 75.6 | 177.6 | -165.4 | 151.4 | 3.2 | 110.3 | D1321 C1347 V1498 Y1525 | D1321-R1502 IonicContact OD1-NH1 2.84Å; D1321-R1502 IonicContact OD2-CZ 2.67Å; D1321-R1502 IonicContact OD2-NH1 3.29Å; D1321-R1502 PolarHBondContact OD2-NH1 3.47Å; D1321-R1502 IonicContact OD2-NH2 3.28Å; C1347-R1502 HydrophobicContact CB-CB 4.27Å; V1498-R1502 HydrophobicContact CG1-CB 4.41Å; V1498-R1502 WeakPolarHBondContact O-CB 3.43Å; V1498-R1502 WeakPolarHBondContact O-CG 3.42Å; V1498-R1502 PolarHBondContact O-N 3.14Å; R1502-Y1525 PolarHBondContact NE-OH 2.92Å; R1502-Y1525 PolarHBondContact NH1-OH 2.84Å | ||
| 1503 | G | 81.9 | Confident | 88.8 | Confident | 37 Ų | 37 | 38.5 Ų | 38.5 | 38% | 0.381 | 20% | 0.198 | S | C | . | . | trans | -79.1 | -162.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1346 E1501 | S1346-G1503 WeakPolarHBondContact OG-CA 3.14Å; S1346-G1503 PolarHBondContact OG-N 3.03Å; E1501-G1503 PolarHBondContact O-N 3.27Å | ||
| 1504 | T | 79.3 | Confident | 89.1 | Confident | 146 Ų | 146 | 33.4 Ų | 33.4 | 90% | 0.896 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -84.9 | -14.3 | -176.5 | 55.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1505 | G | 85.3 | Confident | 89.2 | Confident | 14 Ų | 14 | 33.4 Ų | 33.4 | 14% | 0.144 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -81 | 167.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 1506 | P | 93.2 | Very high | 89.2 | Confident | 15 Ų | 15 | 34.5 Ų | 34.5 | 10% | 0.097 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -65.5 | 149.5 | -174.6 | 25.5 | -29.7 | 0 | 0 | 0 | 112.4 | D1321 I1323 E1343 V1345 | D1321-P1506 CarbonylContact O-C 3.54Å; D1321-P1506 WeakPolarHBondContact O-CA 3.38Å; D1321-P1506 WeakPolarHBondContact O-CB 3.47Å; I1323-P1506 HydrophobicContact CD1-CB 4.13Å; I1323-P1506 HydrophobicContact CD1-CG 3.79Å; I1323-P1506 HydrophobicContact CG1-CB 4.19Å; I1323-P1506 HydrophobicContact CG1-CG 4.39Å; E1343-P1506 HydrophobicContact CB-CG 3.93Å; E1343-P1506 WeakPolarHBondContact O-CD 3.49Å; V1345-P1506 HydrophobicContact CG2-CG 3.93Å |
| 1507 | L | 95.7 | Very high | 89.5 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 118.8 | 176.7 | 176.7 | 64.9 | 0 | 0 | 0 | 110.1 | D1321 I1322 I1323 C1347 I1349 V1498 I1509 Y1525 | D1321-L1507 PolarHBondContact O-N 3.29Å; I1322-L1507 CarbonylContact C-O 3.59Å; I1322-L1507 WeakPolarHBondContact CA-O 3.3Å; I1322-L1507 HydrophobicContact CG1-CB 4.41Å; I1322-L1507 WeakPolarHBondContact CG2-O 3.47Å; I1323-L1507 PolarHBondContact N-O 2.81Å; C1347-L1507 HydrophobicContact CB-CD1 3.81Å; C1347-L1507 VanDerWaalsContact SG-CD1 3.55Å; I1349-L1507 HydrophobicContact CD1-CD1 4Å; I1349-L1507 HydrophobicContact CD1-CD2 4.03Å; I1349-L1507 HydrophobicContact CD1-CG 4.39Å; I1349-L1507 HydrophobicContact CG1-CD1 4.01Å; V1498-L1507 HydrophobicContact CG1-CD1 4.08Å; V1498-L1507 HydrophobicContact CG1-CD2 4.06Å; L1507-I1509 HydrophobicContact CD2-CD1 4.06Å; L1507-I1509 HydrophobicContact CD2-CG1 4.09Å; L1507-I1509 HydrophobicContact CG-CD1 4.5Å; L1507-I1509 HydrophobicContact CG-CG1 4.02Å; L1507-Y1525 HydrophobicContact CD2-CE1 4.33Å |
| 1508 | I | 97.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 131.5 | 169.6 | -68.6 | 176.2 | 0 | 0 | 0 | 109.5 | I1323 T1325 F1336 M1339 V1340 V1345 C1347 I1348 I1349 | I1323-I1508 HydrophobicContact CB-CG1 3.95Å; I1323-I1508 HydrophobicContact CD1-CG1 4.4Å; I1323-I1508 HydrophobicContact CG2-CG1 4.2Å; I1323-I1508 CarbonylContact O-C 3.54Å; I1323-I1508 WeakPolarHBondContact O-CA 3.32Å; T1325-I1508 HydrophobicContact CG2-CG2 3.84Å; F1336-I1508 HydrophobicContact CE2-CD1 4.44Å; F1336-I1508 HydrophobicContact CE2-CG2 4.43Å; F1336-I1508 HydrophobicContact CZ-CD1 4.38Å; M1339-I1508 HydrophobicContact CE-CD1 3.82Å; V1340-I1508 HydrophobicContact CG2-CD1 3.64Å; V1345-I1508 HydrophobicContact CB-CD1 4.23Å; V1345-I1508 HydrophobicContact CG1-CB 4.42Å; V1345-I1508 HydrophobicContact CG1-CD1 3.81Å; V1345-I1508 HydrophobicContact CG1-CG1 3.86Å; V1345-I1508 HydrophobicContact CG2-CD1 3.87Å; V1345-I1508 HydrophobicContact CG2-CG1 3.95Å; C1347-I1508 PolarHBondContact O-N 3.46Å; C1347-I1508 VanDerWaalsContact O-N 3.11Å; I1348-I1508 CarbonylContact C-O 3.6Å; I1348-I1508 WeakPolarHBondContact CA-O 3.35Å; I1348-I1508 HydrophobicContact CB-CB 4.41Å; I1348-I1508 HydrophobicContact CG1-CB 4.18Å; I1348-I1508 HydrophobicContact CG1-CD1 4.41Å; I1348-I1508 HydrophobicContact CG2-CB 4.13Å; I1348-I1508 HydrophobicContact CG2-CG2 3.92Å; I1349-I1508 PolarHBondContact N-O 2.94Å |
| 1509 | I | 97.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125.2 | 168.3 | -49 | 174.3 | 0 | 0 | 0 | 108.3 | I1322 I1323 L1324 T1325 I1349 M1351 L1507 L1521 A1522 | I1322-I1509 HydrophobicContact CG2-CD1 3.84Å; I1322-I1509 HydrophobicContact CG2-CG1 4.13Å; I1323-I1509 PolarHBondContact O-N 2.67Å; L1324-I1509 HydrophobicContact CD1-CB 4.17Å; T1325-I1509 PolarHBondContact N-O 2.84Å; I1349-I1509 HydrophobicContact CB-CG1 4.49Å; I1349-I1509 HydrophobicContact CB-CG2 4.38Å; I1349-I1509 HydrophobicContact CD1-CG1 4.38Å; M1351-I1509 HydrophobicContact CG-CG2 4.16Å; L1507-I1509 HydrophobicContact CD2-CD1 4.06Å; L1507-I1509 HydrophobicContact CD2-CG1 4.09Å; L1507-I1509 HydrophobicContact CG-CD1 4.5Å; L1507-I1509 HydrophobicContact CG-CG1 4.02Å; I1509-L1521 HydrophobicContact CD1-CD2 4.19Å; I1509-L1521 HydrophobicContact CG2-CB 4.42Å; I1509-L1521 HydrophobicContact CG2-CD2 3.82Å; I1509-A1522 HydrophobicContact CD1-CB 4.09Å |
| 1510 | H | 97.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 153.8 | 176.8 | 78.9 | 86.1 | 0 | 0 | 0 | 113.7 | T1325 T1327 I1349 D1350 M1351 Y1364 | T1325-H1510 HydrophobicContact CG2-CB 3.73Å; T1325-H1510 WeakPolarHBondContact O-CA 3.06Å; T1325-H1510 WeakPolarHBondContact O-CB 3.25Å; T1327-H1510 PolarHBondContact OG1-ND1 3.29Å; I1349-H1510 PolarHBondContact O-CD2 2.96Å; I1349-H1510 PolarHBondContact O-N 3Å; D1350-H1510 WeakPolarHBondContact CB-NE2 3.35Å; D1350-H1510 IonicContact OD1-CE1 3.24Å; D1350-H1510 PolarHBondContact OD1-CE1 3.03Å; D1350-H1510 VanDerWaalsContact OD1-CE1 3.25Å; D1350-H1510 IonicContact OD1-ND1 2.82Å; D1350-H1510 IonicContact OD1-NE2 3.42Å; M1351-H1510 PolarHBondContact N-O 3.44Å; Y1364-H1510 AromaticContact CE1-CE1 3.88Å; Y1364-H1510 AromaticContact CE1-NE2 3.57Å; Y1364-H1510 AromaticContact CZ-NE2 3.74Å; Y1364-H1510 PolarHBondContact OH-NE2 3.45Å |
| 1511 | C | 94 | Very high | 91.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | -179.4 | 166.2 | 68.2 | 0 | 0 | 0 | 0 | 108.2 | Q1326 T1327 M1351 Q1352 N1513 G1514 R1517 S1518 | Q1326-C1511 CarbonylContact C-O 3.55Å; Q1326-C1511 WeakPolarHBondContact CA-O 3.21Å; T1327-C1511 PolarHBondContact N-O 3.12Å; T1327-C1511 VanDerWaalsContact OG1-C 3.25Å; T1327-C1511 PolarHBondContact OG1-O 3.16Å; M1351-C1511 HydrophobicContact CB-CB 4.18Å; Q1352-C1511 HydrophobicContact CB-CB 4.25Å; C1511-N1513 VanDerWaalsContact C-N 3.3Å; C1511-N1513 PolarHBondContact O-N 2.81Å; C1511-N1513 VanDerWaalsContact O-N 3.14Å; C1511-N1513 PolarHBondContact SG-OD1 2.76Å; C1511-G1514 PolarHBondContact O-N 2.79Å; C1511-G1514 PolarHBondContact SG-N 2.79Å; C1511-R1517 HydrophobicContact CB-CB 3.79Å; C1511-S1518 PolarHBondContact SG-N 2.88Å; C1511-S1518 VanDerWaalsContact SG-N 3.37Å; C1511-S1518 PolarHBondContact SG-OG 3.45Å |
| 1512 | L | 93.1 | Very high | 92.1 | Very high | 17 Ų | 17 | 19 Ų | 19 | 9% | 0.089 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | -48.6 | -171.4 | -176.2 | 63.1 | 0 | 0 | 0 | 113.6 | R1268 Q1352 A1361 | R1268-L1512 PolarHBondContact NE-O 2.98Å; Q1352-L1512 VanDerWaalsContact OE1-CB 3.23Å; Q1352-L1512 VanDerWaalsContact OE1-N 3.15Å; A1361-L1512 HydrophobicContact CB-CD1 3.56Å |
| 1513 | N | 91.8 | Very high | 92.6 | Very high | 28 Ų | 28 | 15.9 Ų | 15.9 | 15% | 0.15 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -2.4 | 178.7 | 71 | -1.2 | 0 | 0 | 0 | 114.8 | Y1269 L1275 C1511 A1515 T1516 | Y1269-N1513 HydrophobicContact CD2-CB 4.13Å; Y1269-N1513 HydrophobicContact CE2-CB 3.51Å; L1275-N1513 HydrophobicContact CD1-CB 4.11Å; L1275-N1513 HydrophobicContact CD2-CB 4.18Å; C1511-N1513 VanDerWaalsContact C-N 3.3Å; C1511-N1513 PolarHBondContact O-N 2.81Å; C1511-N1513 VanDerWaalsContact O-N 3.14Å; C1511-N1513 PolarHBondContact SG-OD1 2.76Å; N1513-A1515 PolarHBondContact O-N 2.86Å; N1513-A1515 PolarHBondContact OD1-N 2.84Å; N1513-T1516 PolarHBondContact ND2-OG1 2.84Å; N1513-T1516 PolarHBondContact OD1-N 2.68Å; N1513-T1516 VanDerWaalsContact OD1-N 3.1Å |
| 1514 | G | 92.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | S | Bend | trans | 65.9 | 13.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | L1324 T1325 C1511 S1518 R1550 | L1324-G1514 WeakPolarHBondContact CD2-O 3.26Å; L1324-G1514 WeakPolarHBondContact CG-O 3.26Å; T1325-G1514 WeakPolarHBondContact O-CA 3.27Å; C1511-G1514 PolarHBondContact O-N 2.79Å; C1511-G1514 PolarHBondContact SG-N 2.79Å; G1514-S1518 PolarHBondContact O-OG 2.74Å; G1514-S1518 VanDerWaalsContact O-OG 3.1Å; G1514-R1550 PolarHBondContact O-NH1 2.86Å |
| 1515 | A | 91.6 | Very high | 94 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.041 | C | C | . | . | S | Bend | trans | -127.9 | -50.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1275 N1513 S1518 G1519 R1550 | L1275-A1515 HydrophobicContact CD2-CB 3.34Å; N1513-A1515 PolarHBondContact O-N 2.86Å; N1513-A1515 PolarHBondContact OD1-N 2.84Å; A1515-S1518 PolarHBondContact N-OG 2.85Å; A1515-G1519 WeakPolarHBondContact O-CA 3.38Å; A1515-G1519 PolarHBondContact O-N 2.8Å; A1515-R1550 HydrophobicContact CB-CG 4.11Å |
| 1516 | T | 91 | Very high | 94.4 | Very high | 25 Ų | 25 | 7 Ų | 7 | 15% | 0.153 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -75.1 | -62.8 | -163 | -43.4 | 0 | 0 | 0 | 0 | 111.4 | D1483 N1513 L1520 | D1483-T1516 HydrophobicContact CB-CG2 4.47Å; D1483-T1516 WeakPolarHBondContact OD2-CG2 3.39Å; N1513-T1516 PolarHBondContact ND2-OG1 2.84Å; N1513-T1516 PolarHBondContact OD1-N 2.68Å; N1513-T1516 VanDerWaalsContact OD1-N 3.1Å; T1516-L1520 WeakPolarHBondContact O-CB 3.22Å; T1516-L1520 PolarHBondContact O-N 3.16Å; T1516-L1520 VanDerWaalsContact O-N 3.09Å |
| 1517 | R | 93.3 | Very high | 94.5 | Very high | 41 Ų | 41 | 6.3 Ų | 6.3 | 16% | 0.155 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -77.8 | -42.3 | -178.2 | -61.1 | -178.5 | 178.5 | -179.9 | 6.2 | 112.4 | M1351 Q1352 W1478 D1483 C1511 L1521 | M1351-R1517 HydrophobicContact CB-CB 4.14Å; Q1352-R1517 VanDerWaalsContact CD-NH1 3.29Å; Q1352-R1517 VanDerWaalsContact CG-NH1 3.33Å; W1478-R1517 HydrophobicContact CD2-CG 4.11Å; W1478-R1517 HydrophobicContact CE3-CG 3.84Å; W1478-R1517 HydrophobicContact CH2-CB 3.44Å; W1478-R1517 VanDerWaalsContact CH2-CB 3.44Å; W1478-R1517 HydrophobicContact CH2-CG 3.59Å; W1478-R1517 HydrophobicContact CZ2-CB 3.65Å; W1478-R1517 HydrophobicContact CZ2-CG 3.84Å; W1478-R1517 HydrophobicContact CZ3-CB 3.95Å; W1478-R1517 HydrophobicContact CZ3-CG 3.57Å; D1483-R1517 IonicContact OD1-CZ 2.9Å; D1483-R1517 VanDerWaalsContact OD1-CZ 3.32Å; D1483-R1517 IonicContact OD1-NE 3.66Å; D1483-R1517 PolarHBondContact OD1-NE 3.29Å; D1483-R1517 IonicContact OD1-NH2 3.88Å; D1483-R1517 PolarHBondContact OD1-NH2 2.93Å; D1483-R1517 IonicContact OD2-NE 3.55Å; C1511-R1517 HydrophobicContact CB-CB 3.79Å; R1517-L1521 PolarHBondContact O-N 3.26Å; R1517-L1521 VanDerWaalsContact O-N 3.13Å |
| 1518 | S | 94.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -66.5 | -40.9 | 176.2 | 58.8 | 0 | 0 | 0 | 0 | 111.5 | L1324 C1511 G1514 A1515 L1521 A1522 | L1324-S1518 WeakPolarHBondContact CD1-OG 3.27Å; C1511-S1518 PolarHBondContact SG-N 2.88Å; C1511-S1518 VanDerWaalsContact SG-N 3.37Å; C1511-S1518 PolarHBondContact SG-OG 3.45Å; G1514-S1518 PolarHBondContact O-OG 2.74Å; G1514-S1518 VanDerWaalsContact O-OG 3.1Å; A1515-S1518 PolarHBondContact N-OG 2.85Å; S1518-L1521 PolarHBondContact O-N 3.15Å; S1518-A1522 WeakPolarHBondContact O-CB 3.27Å; S1518-A1522 PolarHBondContact O-N 3.26Å |
| 1519 | G | 94.2 | Very high | 94 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -68 | -38.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1515 L1521 A1522 V1523 | A1515-G1519 WeakPolarHBondContact O-CA 3.38Å; A1515-G1519 PolarHBondContact O-N 2.8Å; G1519-L1521 VanDerWaalsContact C-N 3.33Å; G1519-L1521 PolarHBondContact O-N 2.83Å; G1519-A1522 PolarHBondContact O-N 2.85Å; G1519-V1523 WeakPolarHBondContact O-CG2 3.34Å; G1519-V1523 PolarHBondContact O-N 3.11Å |
| 1520 | L | 95.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 7.8 Ų | 7.8 | 2% | 0.016 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -58 | -45.6 | 171.4 | 177.4 | 62.8 | 0 | 0 | 0 | 111.3 | W1478 V1484 T1516 C1524 L1554 Q1559 F1562 V1563 | W1478-L1520 HydrophobicContact CH2-CD2 4.43Å; W1478-L1520 HydrophobicContact CZ3-CD2 4.12Å; V1484-L1520 HydrophobicContact CG1-CD2 4.21Å; T1516-L1520 WeakPolarHBondContact O-CB 3.22Å; T1516-L1520 PolarHBondContact O-N 3.16Å; T1516-L1520 VanDerWaalsContact O-N 3.09Å; L1520-C1524 PolarHBondContact O-N 3.48Å; L1520-C1524 PolarHBondContact O-SG 3.36Å; L1520-L1554 HydrophobicContact CB-CD2 4.47Å; L1520-L1554 HydrophobicContact CD1-CD2 3.51Å; L1520-Q1559 HydrophobicContact CD1-CB 4.32Å; L1520-F1562 HydrophobicContact CD1-CD1 4.06Å; L1520-F1562 HydrophobicContact CD2-CD1 4.13Å; L1520-F1562 HydrophobicContact CD2-CE1 4.4Å; L1520-F1562 HydrophobicContact CG-CD1 4.41Å; L1520-V1563 HydrophobicContact CD1-CG2 3.74Å |
| 1521 | L | 95.3 | Very high | 93.1 | Very high | 3 Ų | 3 | 7.8 Ų | 7.8 | 2% | 0.016 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -64.4 | -45.1 | 176 | -174.8 | 74.5 | 0 | 0 | 0 | 111.6 | I1349 M1351 I1491 L1494 L1495 I1509 R1517 S1518 G1519 V1523 C1524 Y1525 | I1349-L1521 HydrophobicContact CB-CD2 4.35Å; I1349-L1521 HydrophobicContact CD1-CD2 3.75Å; I1349-L1521 HydrophobicContact CG2-CD2 3.72Å; M1351-L1521 HydrophobicContact CE-CB 3.92Å; M1351-L1521 HydrophobicContact CE-CD1 4.12Å; M1351-L1521 HydrophobicContact CE-CD2 4.22Å; M1351-L1521 HydrophobicContact CE-CG 4.3Å; M1351-L1521 HydrophobicContact CG-CB 4.43Å; M1351-L1521 HydrophobicContact CG-CD2 4.1Å; M1351-L1521 HydrophobicContact SD-CB 4.35Å; M1351-L1521 HydrophobicContact SD-CD1 4.47Å; M1351-L1521 HydrophobicContact SD-CD2 3.66Å; M1351-L1521 HydrophobicContact SD-CG 4.37Å; I1491-L1521 HydrophobicContact CD1-CD1 4.04Å; I1491-L1521 HydrophobicContact CG2-CD1 3.87Å; L1494-L1521 HydrophobicContact CD2-CD1 4.14Å; L1494-L1521 HydrophobicContact CD2-CD2 4.19Å; L1495-L1521 HydrophobicContact CD2-CD1 3.83Å; L1495-L1521 HydrophobicContact CD2-CG 4.34Å; L1495-L1521 HydrophobicContact CG-CD1 4.33Å; I1509-L1521 HydrophobicContact CD1-CD2 4.19Å; I1509-L1521 HydrophobicContact CG2-CB 4.42Å; I1509-L1521 HydrophobicContact CG2-CD2 3.82Å; R1517-L1521 PolarHBondContact O-N 3.26Å; R1517-L1521 VanDerWaalsContact O-N 3.13Å; S1518-L1521 PolarHBondContact O-N 3.15Å; G1519-L1521 VanDerWaalsContact C-N 3.33Å; G1519-L1521 PolarHBondContact O-N 2.83Å; L1521-V1523 VanDerWaalsContact C-N 3.31Å; L1521-V1523 PolarHBondContact O-N 3.22Å; L1521-C1524 PolarHBondContact O-N 3.13Å; L1521-C1524 VanDerWaalsContact O-N 3.15Å; L1521-Y1525 WeakPolarHBondContact O-CB 3.47Å; L1521-Y1525 PolarHBondContact O-N 2.72Å |
| 1522 | A | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -58.5 | -43.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1313 L1324 I1509 S1518 G1519 Y1525 I1526 | L1313-A1522 HydrophobicContact CD1-CB 3.73Å; L1324-A1522 HydrophobicContact CD1-CB 4.34Å; I1509-A1522 HydrophobicContact CD1-CB 4.09Å; S1518-A1522 WeakPolarHBondContact O-CB 3.27Å; S1518-A1522 PolarHBondContact O-N 3.26Å; G1519-A1522 PolarHBondContact O-N 2.85Å; A1522-Y1525 PolarHBondContact O-N 3.34Å; A1522-I1526 WeakPolarHBondContact O-CG1 3.33Å; A1522-I1526 PolarHBondContact O-N 2.82Å |
| 1523 | V | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.7 | -50.1 | 173.1 | 170 | 0 | 0 | 0 | 0 | 111.1 | G1519 L1521 Y1525 I1526 L1527 I1543 I1546 I1553 L1554 V1563 | G1519-V1523 WeakPolarHBondContact O-CG2 3.34Å; G1519-V1523 PolarHBondContact O-N 3.11Å; L1521-V1523 VanDerWaalsContact C-N 3.31Å; L1521-V1523 PolarHBondContact O-N 3.22Å; V1523-Y1525 VanDerWaalsContact C-N 3.26Å; V1523-Y1525 PolarHBondContact O-N 3.35Å; V1523-I1526 PolarHBondContact O-N 2.83Å; V1523-L1527 HydrophobicContact CG1-CD1 3.53Å; V1523-L1527 HydrophobicContact CG1-CG 4.23Å; V1523-L1527 WeakPolarHBondContact O-CB 3.33Å; V1523-L1527 VanDerWaalsContact O-CG 3.25Å; V1523-L1527 WeakPolarHBondContact O-CG 3.36Å; V1523-L1527 PolarHBondContact O-N 2.85Å; V1523-I1543 HydrophobicContact CG1-CD1 4.26Å; V1523-I1543 HydrophobicContact CG1-CG1 3.76Å; V1523-I1546 HydrophobicContact CB-CD1 4.38Å; V1523-I1546 HydrophobicContact CG2-CD1 3.72Å; V1523-I1546 HydrophobicContact CG2-CG2 4.25Å; V1523-I1553 HydrophobicContact CG2-CG2 3.84Å; V1523-L1554 HydrophobicContact CG1-CD1 4.22Å; V1523-L1554 HydrophobicContact CG2-CD1 4.31Å; V1523-L1554 HydrophobicContact CG2-CG 4.32Å; V1523-V1563 HydrophobicContact CG1-CG1 4.15Å; V1523-V1563 HydrophobicContact CG1-CG2 3.98Å |
| 1524 | C | 95.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 8.9 Ų | 8.9 | 1% | 0.007 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -58.6 | -41.2 | 179.2 | -68.6 | 0 | 0 | 0 | 0 | 111.5 | L1520 L1521 A1528 F1566 | L1520-C1524 PolarHBondContact O-N 3.48Å; L1520-C1524 PolarHBondContact O-SG 3.36Å; L1521-C1524 PolarHBondContact O-N 3.13Å; L1521-C1524 VanDerWaalsContact O-N 3.15Å; C1524-A1528 WeakPolarHBondContact O-CB 3.32Å; C1524-A1528 PolarHBondContact O-N 3.04Å; C1524-F1566 HydrophobicContact CB-CD1 3.72Å; C1524-F1566 HydrophobicContact CB-CE1 3.6Å; C1524-F1566 HydrophobicContact CB-CG 4.29Å; C1524-F1566 HydrophobicContact CB-CZ 4.06Å; C1524-F1566 VanDerWaalsContact O-CE1 3.32Å; C1524-F1566 WeakPolarHBondContact O-CE1 3.48Å |
| 1525 | Y | 94.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 0% | 0.004 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.6 | -55.1 | 179.1 | -179.3 | -112.7 | 0 | 0 | 0 | 112.2 | I1322 L1495 R1499 R1502 L1507 L1521 A1522 V1523 L1527 A1528 E1529 | I1322-Y1525 HydrophobicContact CD1-CD1 3.59Å; I1322-Y1525 HydrophobicContact CD1-CE1 3.89Å; I1322-Y1525 HydrophobicContact CG1-CD1 4.48Å; I1322-Y1525 HydrophobicContact CG1-CE1 4.41Å; L1495-Y1525 HydrophobicContact CD1-CD2 4.34Å; L1495-Y1525 HydrophobicContact CD2-CD2 3.64Å; L1495-Y1525 HydrophobicContact CD2-CG 4.23Å; L1495-Y1525 HydrophobicContact CG-CD2 4.4Å; R1499-Y1525 HydrophobicContact CG-CE2 4.34Å; R1502-Y1525 PolarHBondContact NE-OH 2.92Å; R1502-Y1525 PolarHBondContact NH1-OH 2.84Å; L1507-Y1525 HydrophobicContact CD2-CE1 4.33Å; L1521-Y1525 WeakPolarHBondContact O-CB 3.47Å; L1521-Y1525 PolarHBondContact O-N 2.72Å; A1522-Y1525 PolarHBondContact O-N 3.34Å; V1523-Y1525 VanDerWaalsContact C-N 3.26Å; V1523-Y1525 PolarHBondContact O-N 3.35Å; Y1525-L1527 VanDerWaalsContact C-N 3.32Å; Y1525-L1527 PolarHBondContact O-N 2.87Å; Y1525-A1528 PolarHBondContact O-N 2.93Å; Y1525-E1529 HydrophobicContact CD2-CG 4.29Å; Y1525-E1529 HydrophobicContact CE1-CG 4.22Å; Y1525-E1529 HydrophobicContact CE2-CG 3.85Å; Y1525-E1529 WeakPolarHBondContact O-CG 3.48Å; Y1525-E1529 PolarHBondContact O-N 2.85Å |
| 1526 | I | 93.8 | Very high | 90.8 | Very high | 9 Ų | 9 | 14.4 Ų | 14.4 | 5% | 0.046 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.6 | -42.6 | -178.4 | -65.9 | 163.8 | 0 | 0 | 0 | 110.7 | D1314 I1322 A1522 V1523 E1529 N1530 V1542 I1546 | D1314-I1526 WeakPolarHBondContact O-CD1 3.43Å; I1322-I1526 HydrophobicContact CD1-CD1 3.97Å; I1322-I1526 HydrophobicContact CD1-CG1 3.82Å; A1522-I1526 WeakPolarHBondContact O-CG1 3.33Å; A1522-I1526 PolarHBondContact O-N 2.82Å; V1523-I1526 PolarHBondContact O-N 2.83Å; I1526-E1529 PolarHBondContact O-N 2.85Å; I1526-N1530 WeakPolarHBondContact O-CB 3.47Å; I1526-N1530 VanDerWaalsContact O-CG 3.31Å; I1526-N1530 PolarHBondContact O-N 3.17Å; I1526-V1542 HydrophobicContact CB-CG1 4.41Å; I1526-V1542 HydrophobicContact CG2-CG1 3.67Å; I1526-I1546 HydrophobicContact CD1-CD1 3.56Å; I1526-I1546 HydrophobicContact CD1-CG1 4.02Å |
| 1527 | L | 94.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -65.9 | -39.5 | 177.4 | -68 | 173 | 0 | 0 | 0 | 112.4 | V1523 Y1525 M1531 V1537 L1539 V1542 V1563 L1567 | V1523-L1527 HydrophobicContact CG1-CD1 3.53Å; V1523-L1527 HydrophobicContact CG1-CG 4.23Å; V1523-L1527 WeakPolarHBondContact O-CB 3.33Å; V1523-L1527 VanDerWaalsContact O-CG 3.25Å; V1523-L1527 WeakPolarHBondContact O-CG 3.36Å; V1523-L1527 PolarHBondContact O-N 2.85Å; Y1525-L1527 VanDerWaalsContact C-N 3.32Å; Y1525-L1527 PolarHBondContact O-N 2.87Å; L1527-M1531 WeakPolarHBondContact O-CB 3.4Å; L1527-M1531 PolarHBondContact O-N 2.84Å; L1527-V1537 HydrophobicContact CD2-CB 4.49Å; L1527-V1537 HydrophobicContact CD2-CG1 4.06Å; L1527-V1537 HydrophobicContact CD2-CG2 3.61Å; L1527-L1539 HydrophobicContact CD1-CD1 4.14Å; L1527-L1539 HydrophobicContact CD1-CG 3.98Å; L1527-L1539 HydrophobicContact CD2-CB 4.42Å; L1527-L1539 HydrophobicContact CD2-CG 4.26Å; L1527-V1542 HydrophobicContact CD2-CB 3.81Å; L1527-V1542 HydrophobicContact CD2-CG1 3.67Å; L1527-V1542 HydrophobicContact CD2-CG2 4.25Å; L1527-V1542 HydrophobicContact CG-CG1 4.15Å; L1527-V1563 HydrophobicContact CD1-CG1 3.35Å; L1527-L1567 HydrophobicContact CB-CD1 4.18Å; L1527-L1567 HydrophobicContact CB-CD2 4Å; L1527-L1567 HydrophobicContact CB-CG 4.44Å; L1527-L1567 HydrophobicContact CD1-CD1 4.17Å |
| 1528 | A | 92.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -65.2 | -43 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | C1524 Y1525 T1532 F1566 W1570 | C1524-A1528 WeakPolarHBondContact O-CB 3.32Å; C1524-A1528 PolarHBondContact O-N 3.04Å; Y1525-A1528 PolarHBondContact O-N 2.93Å; A1528-T1532 VanDerWaalsContact O-CB 3.29Å; A1528-T1532 WeakPolarHBondContact O-CB 3.42Å; A1528-T1532 PolarHBondContact O-N 3.1Å; A1528-T1532 PolarHBondContact O-OG1 2.74Å; A1528-F1566 HydrophobicContact CB-CE1 4.02Å; A1528-F1566 HydrophobicContact CB-CZ 4.04Å; A1528-W1570 HydrophobicContact CB-CD2 3.79Å; A1528-W1570 HydrophobicContact CB-CE3 4.24Å; A1528-W1570 HydrophobicContact CB-CG 4.14Å; A1528-W1570 HydrophobicContact CB-CZ2 4.08Å |
| 1529 | E | 90.1 | Very high | 90 | Very high | 27 Ų | 27 | 12.5 Ų | 12.5 | 13% | 0.126 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62 | -50 | 175.1 | -71.1 | -54.8 | 118.7 | 0 | 0 | 111.3 | A1316 R1499 Y1525 I1526 M1531 T1532 R1533 | A1316-E1529 HydrophobicContact CB-CB 3.61Å; A1316-E1529 HydrophobicContact CB-CG 4.5Å; R1499-E1529 WeakPolarHBondContact CD-OE1 3.45Å; R1499-E1529 WeakPolarHBondContact CG-OE1 3.49Å; R1499-E1529 IonicContact CZ-OE1 3.23Å; R1499-E1529 IonicContact CZ-OE2 3.88Å; R1499-E1529 IonicContact NE-OE1 2.63Å; R1499-E1529 PolarHBondContact NE-OE1 3.04Å; R1499-E1529 VanDerWaalsContact NE-OE1 3.13Å; R1499-E1529 IonicContact NE-OE2 3.37Å; R1499-E1529 IonicContact NH1-OE1 2.8Å; R1499-E1529 PolarHBondContact NH1-OE1 2.83Å; R1499-E1529 IonicContact NH1-OE2 2.77Å; R1499-E1529 IonicContact NH2-OE2 3.65Å; Y1525-E1529 HydrophobicContact CD2-CG 4.29Å; Y1525-E1529 HydrophobicContact CE1-CG 4.22Å; Y1525-E1529 HydrophobicContact CE2-CG 3.85Å; Y1525-E1529 WeakPolarHBondContact O-CG 3.48Å; Y1525-E1529 PolarHBondContact O-N 2.85Å; I1526-E1529 PolarHBondContact O-N 2.85Å; E1529-M1531 PolarHBondContact O-N 2.52Å; E1529-T1532 PolarHBondContact O-N 2.87Å; E1529-R1533 WeakPolarHBondContact O-CB 3.4Å; E1529-R1533 PolarHBondContact O-N 2.84Å |
| 1530 | N | 88.9 | Confident | 89.6 | Confident | 8 Ų | 8 | 12.8 Ų | 12.8 | 4% | 0.043 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.7 | -48.1 | 177.9 | -73.6 | -4.5 | 0 | 0 | 0 | 111.3 | A1316 I1526 T1532 R1533 D1534 V1537 | A1316-N1530 WeakPolarHBondContact CB-OD1 3.35Å; I1526-N1530 WeakPolarHBondContact O-CB 3.47Å; I1526-N1530 VanDerWaalsContact O-CG 3.31Å; I1526-N1530 PolarHBondContact O-N 3.17Å; N1530-T1532 VanDerWaalsContact C-N 3.31Å; N1530-T1532 PolarHBondContact O-N 2.9Å; N1530-R1533 PolarHBondContact O-N 2.83Å; N1530-R1533 PolarHBondContact OD1-NH2 3.28Å; N1530-R1533 VanDerWaalsContact OD1-NH2 3.13Å; N1530-D1534 WeakPolarHBondContact O-CA 3.31Å; N1530-D1534 WeakPolarHBondContact O-CB 3.46Å; N1530-D1534 PolarHBondContact O-N 3.15Å; N1530-V1537 HydrophobicContact CB-CB 4.36Å; N1530-V1537 HydrophobicContact CB-CG2 3.76Å |
| 1531 | M | 87.1 | Confident | 89.2 | Confident | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -61.8 | -37.8 | 177.8 | -175.4 | 59.8 | 74.8 | 0 | 0 | 112.7 | D1213 L1214 V1216 L1527 E1529 H1535 V1537 L1567 I1571 | D1213-M1531 VanDerWaalsContact O-CE 3.31Å; D1213-M1531 WeakPolarHBondContact O-CE 3.2Å; L1214-M1531 HydrophobicContact CD2-CG 4.43Å; L1214-M1531 HydrophobicContact CD2-SD 3.87Å; V1216-M1531 HydrophobicContact CG2-CE 3.84Å; L1527-M1531 WeakPolarHBondContact O-CB 3.4Å; L1527-M1531 PolarHBondContact O-N 2.84Å; E1529-M1531 PolarHBondContact O-N 2.52Å; M1531-H1535 VanDerWaalsContact O-CA 3.3Å; M1531-H1535 WeakPolarHBondContact O-CA 3.03Å; M1531-H1535 PolarHBondContact O-N 3.06Å; M1531-V1537 HydrophobicContact CE-CB 4.47Å; M1531-V1537 HydrophobicContact CE-CG1 3.77Å; M1531-L1567 HydrophobicContact CB-CD2 4.44Å; M1531-I1571 HydrophobicContact CE-CD1 4.32Å; M1531-I1571 HydrophobicContact CG-CD1 4.03Å; M1531-I1571 HydrophobicContact CG-CG1 3.97Å; M1531-I1571 HydrophobicContact SD-CD1 4.23Å |
| 1532 | T | 86 | Confident | 88.9 | Confident | 15 Ų | 15 | 13.3 Ų | 13.3 | 9% | 0.092 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -69 | -41.4 | 178.7 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | R1499 A1528 E1529 N1530 W1570 L1575 | R1499-T1532 PolarHBondContact NH1-OG1 3.35Å; A1528-T1532 VanDerWaalsContact O-CB 3.29Å; A1528-T1532 WeakPolarHBondContact O-CB 3.42Å; A1528-T1532 PolarHBondContact O-N 3.1Å; A1528-T1532 PolarHBondContact O-OG1 2.74Å; E1529-T1532 PolarHBondContact O-N 2.87Å; N1530-T1532 VanDerWaalsContact C-N 3.31Å; N1530-T1532 PolarHBondContact O-N 2.9Å; T1532-W1570 PolarHBondContact OG1-NE1 3.01Å; T1532-L1575 HydrophobicContact CG2-CD2 4.28Å |
| 1533 | R | 81.8 | Confident | 88.7 | Confident | 39 Ų | 39 | 13.3 Ų | 13.3 | 15% | 0.147 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -77.5 | -40.5 | -178 | -173.2 | -173.5 | 60.4 | -154.5 | -18.7 | 112.2 | A1316 E1529 N1530 P1615 | A1316-R1533 PolarHBondContact O-NH1 3.41Å; A1316-R1533 PolarHBondContact O-NH2 2.87Å; E1529-R1533 WeakPolarHBondContact O-CB 3.4Å; E1529-R1533 PolarHBondContact O-N 2.84Å; N1530-R1533 PolarHBondContact O-N 2.83Å; N1530-R1533 PolarHBondContact OD1-NH2 3.28Å; N1530-R1533 VanDerWaalsContact OD1-NH2 3.13Å; R1533-P1615 HydrophobicContact CG-CG 4.34Å; R1533-P1615 WeakPolarHBondContact O-CG 3.1Å |
| 1534 | D | 80.3 | Confident | 88.3 | Confident | 14 Ų | 14 | 13.3 Ų | 13.3 | 8% | 0.075 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -112.7 | -14.5 | -161.9 | -52.9 | -35.1 | 0 | 0 | 0 | 113.5 | Y1041 R1129 N1530 Y1536 | Y1041-D1534 PolarHBondContact OH-OD1 3.44Å; R1129-D1534 VanDerWaalsContact CZ-CG 3.44Å; R1129-D1534 IonicContact CZ-OD1 3.55Å; R1129-D1534 IonicContact CZ-OD2 3.61Å; R1129-D1534 IonicContact NH1-OD1 3.68Å; R1129-D1534 PolarHBondContact NH1-OD1 3.13Å; R1129-D1534 IonicContact NH1-OD2 3.94Å; R1129-D1534 PolarHBondContact NH1-OD2 3Å; R1129-D1534 IonicContact NH2-OD1 2.7Å; R1129-D1534 PolarHBondContact NH2-OD1 3.42Å; R1129-D1534 IonicContact NH2-OD2 3.61Å; N1530-D1534 WeakPolarHBondContact O-CA 3.31Å; N1530-D1534 WeakPolarHBondContact O-CB 3.46Å; N1530-D1534 PolarHBondContact O-N 3.15Å; D1534-Y1536 HydrophobicContact CB-CD1 4.5Å; D1534-Y1536 HydrophobicContact CB-CE1 4.5Å; D1534-Y1536 VanDerWaalsContact O-CD1 3.23Å; D1534-Y1536 WeakPolarHBondContact O-CD1 3.25Å; D1534-Y1536 PolarHBondContact O-N 2.84Å |
| 1535 | H | 81.4 | Confident | 87.9 | Confident | 69 Ų | 69 | 14.9 Ų | 14.9 | 32% | 0.319 | 7% | 0.07 | S | C | . | . | S | Bend | trans | 61.8 | 4.3 | -176.4 | -52.5 | -46 | 0 | 0 | 0 | 115.5 | L1214 M1531 | L1214-H1535 HydrophobicContact CD1-CB 4.27Å; L1214-H1535 HydrophobicContact CD2-CB 4.29Å; L1214-H1535 HydrophobicContact CG-CB 4.18Å; L1214-H1535 PolarHBondContact N-O 2.88Å; M1531-H1535 VanDerWaalsContact O-CA 3.3Å; M1531-H1535 WeakPolarHBondContact O-CA 3.03Å; M1531-H1535 PolarHBondContact O-N 3.06Å |
| 1536 | Y | 84.8 | Confident | 87.6 | Confident | 47 Ų | 47 | 15.1 Ų | 15.1 | 18% | 0.184 | 7% | 0.072 | C | C | . | . | trans | -146.4 | 162.3 | 166.2 | 72.3 | -89 | 0 | 0 | 0 | 109.7 | R1129 T1132 I1211 V1212 D1534 | R1129-Y1536 WeakPolarHBondContact CD-OH 3.36Å; T1132-Y1536 PolarHBondContact OG1-OH 2.76Å; I1211-Y1536 HydrophobicContact CG2-CD2 4.16Å; V1212-Y1536 CarbonylContact O-C 3.52Å; V1212-Y1536 WeakPolarHBondContact O-CA 3.36Å; V1212-Y1536 WeakPolarHBondContact O-CB 3.45Å; D1534-Y1536 HydrophobicContact CB-CD1 4.5Å; D1534-Y1536 HydrophobicContact CB-CE1 4.5Å; D1534-Y1536 VanDerWaalsContact O-CD1 3.23Å; D1534-Y1536 WeakPolarHBondContact O-CD1 3.25Å; D1534-Y1536 PolarHBondContact O-N 2.84Å | ||
| 1537 | V | 86.7 | Confident | 87.3 | Confident | 5 Ų | 5 | 14.8 Ų | 14.8 | 3% | 0.03 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 141.7 | 173 | 71.1 | 0 | 0 | 0 | 0 | 110.7 | V1212 L1527 N1530 M1531 L1539 V1542 | V1212-V1537 PolarHBondContact N-O 3.05Å; V1212-V1537 PolarHBondContact O-N 3.03Å; L1527-V1537 HydrophobicContact CD2-CB 4.49Å; L1527-V1537 HydrophobicContact CD2-CG1 4.06Å; L1527-V1537 HydrophobicContact CD2-CG2 3.61Å; N1530-V1537 HydrophobicContact CB-CB 4.36Å; N1530-V1537 HydrophobicContact CB-CG2 3.76Å; M1531-V1537 HydrophobicContact CE-CB 4.47Å; M1531-V1537 HydrophobicContact CE-CG1 3.77Å; V1537-L1539 PolarHBondContact O-N 2.8Å; V1537-V1542 HydrophobicContact CG2-CG2 3.9Å |
| 1538 | D | 86.4 | Confident | 86.8 | Confident | 21 Ų | 21 | 16.4 Ų | 16.4 | 11% | 0.112 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 91.6 | 163.9 | -168.3 | -29.4 | 0 | 0 | 0 | 109.3 | H1209 C1210 I1211 F1540 H1541 V1542 | H1209-D1538 WeakPolarHBondContact CB-OD2 3.29Å; C1210-D1538 PolarHBondContact N-OD1 3.18Å; C1210-D1538 CarbonylContact O-C 3.51Å; C1210-D1538 WeakPolarHBondContact O-CA 3.44Å; I1211-D1538 HydrophobicContact CG1-CB 4.32Å; D1538-F1540 PolarHBondContact O-N 3.25Å; D1538-F1540 WeakPolarHBondContact OD1-CB 3.47Å; D1538-F1540 PolarHBondContact OD1-N 2.89Å; D1538-F1540 VanDerWaalsContact OD1-N 3.11Å; D1538-H1541 HydrophobicContact CB-CB 4.16Å; D1538-H1541 PolarHBondContact O-N 2.98Å; D1538-H1541 PolarHBondContact OD1-N 3.08Å; D1538-H1541 VanDerWaalsContact OD1-N 3.07Å; D1538-H1541 IonicContact OD1-ND1 3.86Å; D1538-H1541 PolarHBondContact OD1-ND1 2.6Å; D1538-H1541 IonicContact OD2-CE1 3.1Å; D1538-H1541 IonicContact OD2-CG 2.65Å; D1538-H1541 IonicContact OD2-ND1 2.65Å; D1538-H1541 PolarHBondContact OD2-ND1 3.2Å; D1538-V1542 VanDerWaalsContact O-CG2 3.31Å; D1538-V1542 WeakPolarHBondContact O-CG2 3.19Å; D1538-V1542 PolarHBondContact O-N 3.27Å |
| 1539 | L | 89.3 | Confident | 86.5 | Confident | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.7 | -33.8 | -175.5 | -171.5 | 147.8 | 0 | 0 | 0 | 111.3 | C1210 V1212 L1527 V1537 I1543 L1560 V1563 Y1564 L1567 | C1210-L1539 PolarHBondContact O-N 2.84Å; V1212-L1539 HydrophobicContact CG2-CB 4.45Å; L1527-L1539 HydrophobicContact CD1-CD1 4.14Å; L1527-L1539 HydrophobicContact CD1-CG 3.98Å; L1527-L1539 HydrophobicContact CD2-CB 4.42Å; L1527-L1539 HydrophobicContact CD2-CG 4.26Å; V1537-L1539 PolarHBondContact O-N 2.8Å; L1539-I1543 HydrophobicContact CD2-CD1 3.36Å; L1539-I1543 HydrophobicContact CD2-CG1 4.47Å; L1539-I1543 HydrophobicContact CG-CD1 4.05Å; L1539-I1543 WeakPolarHBondContact O-CB 3.48Å; L1539-I1543 WeakPolarHBondContact O-CD1 3.26Å; L1539-I1543 WeakPolarHBondContact O-CG1 3.36Å; L1539-I1543 PolarHBondContact O-N 3.29Å; L1539-L1560 HydrophobicContact CD2-CD1 4.02Å; L1539-V1563 HydrophobicContact CD1-CG1 4.2Å; L1539-Y1564 HydrophobicContact CD1-CD1 4.17Å; L1539-Y1564 HydrophobicContact CD1-CE1 3.85Å; L1539-Y1564 HydrophobicContact CD1-CE2 4.32Å; L1539-Y1564 HydrophobicContact CD2-CE2 3.91Å; L1539-L1567 HydrophobicContact CD1-CD1 3.61Å |
| 1540 | F | 86.7 | Confident | 86.4 | Confident | 5 Ų | 5 | 15.9 Ų | 15.9 | 2% | 0.022 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -69.4 | -53 | -179 | -168.6 | -72.8 | 0 | 0 | 0 | 111 | G1207 G1208 C1210 Q1238 V1241 L1242 D1538 V1542 I1543 K1544 | G1207-F1540 WeakPolarHBondContact O-CE1 3.02Å; G1207-F1540 WeakPolarHBondContact O-CZ 3.23Å; G1208-F1540 WeakPolarHBondContact O-CD1 3.36Å; C1210-F1540 HydrophobicContact CB-CB 3.84Å; Q1238-F1540 HydrophobicContact CG-CD2 3.67Å; Q1238-F1540 HydrophobicContact CG-CE2 3.98Å; V1241-F1540 HydrophobicContact CB-CE2 4.2Å; V1241-F1540 HydrophobicContact CB-CZ 4.26Å; V1241-F1540 HydrophobicContact CG1-CE2 3.92Å; V1241-F1540 HydrophobicContact CG1-CZ 3.65Å; L1242-F1540 HydrophobicContact CB-CE2 4.42Å; L1242-F1540 HydrophobicContact CB-CZ 4.27Å; L1242-F1540 HydrophobicContact CD1-CD2 4.34Å; L1242-F1540 HydrophobicContact CD1-CE2 4.31Å; L1242-F1540 HydrophobicContact CD2-CD1 3.7Å; L1242-F1540 HydrophobicContact CD2-CD2 3.86Å; L1242-F1540 HydrophobicContact CD2-CE1 3.4Å; L1242-F1540 HydrophobicContact CD2-CE2 3.68Å; L1242-F1540 HydrophobicContact CD2-CG 3.87Å; L1242-F1540 HydrophobicContact CD2-CZ 3.4Å; L1242-F1540 VanDerWaalsContact CD2-CZ 3.4Å; L1242-F1540 HydrophobicContact CG-CD2 3.84Å; L1242-F1540 HydrophobicContact CG-CE1 4.08Å; L1242-F1540 HydrophobicContact CG-CE2 3.42Å; L1242-F1540 VanDerWaalsContact CG-CE2 3.42Å; L1242-F1540 HydrophobicContact CG-CG 4.37Å; L1242-F1540 HydrophobicContact CG-CZ 3.52Å; D1538-F1540 PolarHBondContact O-N 3.25Å; D1538-F1540 WeakPolarHBondContact OD1-CB 3.47Å; D1538-F1540 PolarHBondContact OD1-N 2.89Å; D1538-F1540 VanDerWaalsContact OD1-N 3.11Å; F1540-V1542 PolarHBondContact O-N 3.06Å; F1540-I1543 PolarHBondContact O-N 3.26Å; F1540-K1544 HydrophobicContact CE1-CD 4.18Å; F1540-K1544 WeakPolarHBondContact O-CB 3.48Å; F1540-K1544 PolarHBondContact O-N 2.82Å |
| 1541 | H | 86.5 | Confident | 86.1 | Confident | 5 Ų | 5 | 17.3 Ų | 17.3 | 2% | 0.023 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.8 | -41.3 | -178 | -80.2 | 89.6 | 0 | 0 | 0 | 112.3 | G1208 D1538 I1543 K1544 M1545 | G1208-H1541 PolarHBondContact O-CE1 2.8Å; G1208-H1541 PolarHBondContact O-ND1 2.58Å; D1538-H1541 HydrophobicContact CB-CB 4.16Å; D1538-H1541 PolarHBondContact O-N 2.98Å; D1538-H1541 PolarHBondContact OD1-N 3.08Å; D1538-H1541 VanDerWaalsContact OD1-N 3.07Å; D1538-H1541 IonicContact OD1-ND1 3.86Å; D1538-H1541 PolarHBondContact OD1-ND1 2.6Å; D1538-H1541 IonicContact OD2-CE1 3.1Å; D1538-H1541 IonicContact OD2-CG 2.65Å; D1538-H1541 IonicContact OD2-ND1 2.65Å; D1538-H1541 PolarHBondContact OD2-ND1 3.2Å; H1541-I1543 PolarHBondContact O-N 2.94Å; H1541-K1544 PolarHBondContact O-N 3.27Å; H1541-M1545 VanDerWaalsContact O-CG 3.28Å; H1541-M1545 WeakPolarHBondContact O-CG 3.4Å; H1541-M1545 PolarHBondContact O-N 2.88Å |
| 1542 | V | 87.9 | Confident | 86.1 | Confident | 12 Ų | 12 | 18.2 Ų | 18.2 | 7% | 0.073 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.9 | -44.9 | 177.1 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | I1526 L1527 V1537 D1538 F1540 K1544 M1545 I1546 | I1526-V1542 HydrophobicContact CB-CG1 4.41Å; I1526-V1542 HydrophobicContact CG2-CG1 3.67Å; L1527-V1542 HydrophobicContact CD2-CB 3.81Å; L1527-V1542 HydrophobicContact CD2-CG1 3.67Å; L1527-V1542 HydrophobicContact CD2-CG2 4.25Å; L1527-V1542 HydrophobicContact CG-CG1 4.15Å; V1537-V1542 HydrophobicContact CG2-CG2 3.9Å; D1538-V1542 VanDerWaalsContact O-CG2 3.31Å; D1538-V1542 WeakPolarHBondContact O-CG2 3.19Å; D1538-V1542 PolarHBondContact O-N 3.27Å; F1540-V1542 PolarHBondContact O-N 3.06Å; V1542-K1544 VanDerWaalsContact C-N 3.34Å; V1542-K1544 PolarHBondContact O-N 2.85Å; V1542-M1545 PolarHBondContact O-N 3.07Å; V1542-I1546 HydrophobicContact CG1-CD1 4.15Å; V1542-I1546 WeakPolarHBondContact O-CD1 3.35Å; V1542-I1546 WeakPolarHBondContact O-CG1 3.29Å; V1542-I1546 PolarHBondContact O-N 3.02Å |
| 1543 | I | 91.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.8 | -42.3 | 176.4 | -70 | 171.2 | 0 | 0 | 0 | 110.8 | L1242 V1523 L1539 F1540 H1541 I1546 K1547 L1554 L1560 | L1242-I1543 HydrophobicContact CD1-CG2 4Å; L1242-I1543 HydrophobicContact CD2-CB 4.34Å; L1242-I1543 HydrophobicContact CD2-CG2 4.07Å; V1523-I1543 HydrophobicContact CG1-CD1 4.26Å; V1523-I1543 HydrophobicContact CG1-CG1 3.76Å; L1539-I1543 HydrophobicContact CD2-CD1 3.36Å; L1539-I1543 HydrophobicContact CD2-CG1 4.47Å; L1539-I1543 HydrophobicContact CG-CD1 4.05Å; L1539-I1543 WeakPolarHBondContact O-CB 3.48Å; L1539-I1543 WeakPolarHBondContact O-CD1 3.26Å; L1539-I1543 WeakPolarHBondContact O-CG1 3.36Å; L1539-I1543 PolarHBondContact O-N 3.29Å; F1540-I1543 PolarHBondContact O-N 3.26Å; H1541-I1543 PolarHBondContact O-N 2.94Å; I1543-I1546 PolarHBondContact O-N 2.86Å; I1543-K1547 HydrophobicContact CG2-CD 3.99Å; I1543-K1547 HydrophobicContact CG2-CG 4.24Å; I1543-K1547 WeakPolarHBondContact O-CB 3.3Å; I1543-K1547 PolarHBondContact O-N 2.79Å; I1543-L1554 HydrophobicContact CD1-CD1 3.64Å; I1543-L1554 HydrophobicContact CG1-CD1 3.97Å; I1543-L1554 HydrophobicContact CG2-CD1 3.71Å; I1543-L1560 HydrophobicContact CD1-CD1 3.66Å |
| 1544 | K | 88.7 | Confident | 86.7 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.4 | -42.9 | 178.4 | -167.6 | 176.8 | -171.6 | 173.7 | 0 | 111.7 | L1121 E1203 L1242 Y1245 F1540 H1541 V1542 I1546 K1547 I1548 | L1121-K1544 HydrophobicContact CD1-CB 4.29Å; L1121-K1544 HydrophobicContact CD1-CD 4.25Å; L1121-K1544 HydrophobicContact CD1-CG 4.04Å; L1121-K1544 HydrophobicContact CD2-CD 4.17Å; E1203-K1544 IonicContact OE1-NZ 3.3Å; E1203-K1544 IonicContact OE2-NZ 3.16Å; E1203-K1544 PolarHBondContact OE2-NZ 3.26Å; L1242-K1544 HydrophobicContact CD2-CB 4.18Å; Y1245-K1544 WeakPolarHBondContact O-CE 3.48Å; Y1245-K1544 PolarHBondContact O-NZ 2.95Å; F1540-K1544 HydrophobicContact CE1-CD 4.18Å; F1540-K1544 WeakPolarHBondContact O-CB 3.48Å; F1540-K1544 PolarHBondContact O-N 2.82Å; H1541-K1544 PolarHBondContact O-N 3.27Å; V1542-K1544 VanDerWaalsContact C-N 3.34Å; V1542-K1544 PolarHBondContact O-N 2.85Å; K1544-I1546 VanDerWaalsContact C-N 3.25Å; K1544-I1546 PolarHBondContact O-N 2.89Å; K1544-K1547 PolarHBondContact O-N 2.84Å; K1544-I1548 HydrophobicContact CG-CD1 4.2Å; K1544-I1548 HydrophobicContact CG-CG1 4.48Å; K1544-I1548 VanDerWaalsContact O-CG1 3.32Å; K1544-I1548 WeakPolarHBondContact O-CG1 3.3Å; K1544-I1548 PolarHBondContact O-N 3.06Å |
| 1545 | M | 85.6 | Confident | 86.9 | Confident | 34 Ų | 34 | 17.6 Ų | 17.6 | 17% | 0.167 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -56.2 | -40.6 | 175.4 | -74.3 | 174.1 | 177.3 | 0 | 0 | 112 | L1121 N1122 E1125 H1541 V1542 | L1121-M1545 HydrophobicContact CB-CE 3.55Å; L1121-M1545 HydrophobicContact CB-CG 3.78Å; L1121-M1545 HydrophobicContact CD1-CB 4.42Å; L1121-M1545 HydrophobicContact CD1-CG 3.68Å; L1121-M1545 HydrophobicContact CG-CG 4.41Å; L1121-M1545 VanDerWaalsContact O-CE 3.24Å; L1121-M1545 WeakPolarHBondContact O-CE 3.17Å; N1122-M1545 VanDerWaalsContact OD1-CE 3.32Å; N1122-M1545 WeakPolarHBondContact OD1-CE 3.29Å; E1125-M1545 HydrophobicContact CB-CE 4.11Å; H1541-M1545 VanDerWaalsContact O-CG 3.28Å; H1541-M1545 WeakPolarHBondContact O-CG 3.4Å; H1541-M1545 PolarHBondContact O-N 2.88Å; V1542-M1545 PolarHBondContact O-N 3.07Å |
| 1546 | I | 89.9 | Confident | 87.2 | Confident | 7 Ų | 7 | 15.6 Ų | 15.6 | 4% | 0.036 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -74 | -44.8 | 178.1 | -63.2 | 163.1 | 0 | 0 | 0 | 110.9 | L1313 V1523 I1526 V1542 I1543 K1544 I1548 R1549 R1550 I1553 | L1313-I1546 HydrophobicContact CD1-CG2 4.14Å; L1313-I1546 HydrophobicContact CD2-CG2 4.13Å; V1523-I1546 HydrophobicContact CB-CD1 4.38Å; V1523-I1546 HydrophobicContact CG2-CD1 3.72Å; V1523-I1546 HydrophobicContact CG2-CG2 4.25Å; I1526-I1546 HydrophobicContact CD1-CD1 3.56Å; I1526-I1546 HydrophobicContact CD1-CG1 4.02Å; V1542-I1546 HydrophobicContact CG1-CD1 4.15Å; V1542-I1546 WeakPolarHBondContact O-CD1 3.35Å; V1542-I1546 WeakPolarHBondContact O-CG1 3.29Å; V1542-I1546 PolarHBondContact O-N 3.02Å; I1543-I1546 PolarHBondContact O-N 2.86Å; K1544-I1546 VanDerWaalsContact C-N 3.25Å; K1544-I1546 PolarHBondContact O-N 2.89Å; I1546-I1548 VanDerWaalsContact C-N 3.32Å; I1546-I1548 PolarHBondContact O-N 3.08Å; I1546-R1549 PolarHBondContact O-N 2.83Å; I1546-R1549 VanDerWaalsContact O-N 3.08Å; I1546-R1550 PolarHBondContact O-N 3.01Å; I1546-I1553 HydrophobicContact CG2-CD1 3.38Å; I1546-I1553 HydrophobicContact CG2-CG1 4.49Å; I1546-I1553 HydrophobicContact CG2-CG2 3.99Å |
| 1547 | K | 88.2 | Confident | 87.4 | Confident | 1 Ų | 1 | 15 Ų | 15 | 0% | 0.004 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.5 | -33.9 | 178.9 | -80.5 | -175.3 | 74.2 | 72.4 | 0 | 113.3 | H1243 T1246 I1543 K1544 R1549 R1550 K1551 I1553 | H1243-K1547 PolarHBondContact CD2-NZ 2.98Å; H1243-K1547 PolarHBondContact CE1-NZ 3.14Å; H1243-K1547 VanDerWaalsContact CE1-NZ 3.31Å; H1243-K1547 PolarHBondContact NE2-NZ 3.05Å; T1246-K1547 HydrophobicContact CG2-CB 4.22Å; I1543-K1547 HydrophobicContact CG2-CD 3.99Å; I1543-K1547 HydrophobicContact CG2-CG 4.24Å; I1543-K1547 WeakPolarHBondContact O-CB 3.3Å; I1543-K1547 PolarHBondContact O-N 2.79Å; K1544-K1547 PolarHBondContact O-N 2.84Å; K1547-R1549 PolarHBondContact O-N 2.87Å; K1547-R1550 CarbonylContact O-C 3.47Å; K1547-R1550 PolarHBondContact O-N 3.46Å; K1547-K1551 PolarHBondContact NZ-O 2.86Å; K1547-K1551 VanDerWaalsContact O-CA 3.28Å; K1547-K1551 WeakPolarHBondContact O-CA 3.46Å; K1547-K1551 PolarHBondContact O-N 2.98Å; K1547-K1551 VanDerWaalsContact O-N 3.16Å; K1547-I1553 WeakPolarHBondContact CD-O 3.35Å; K1547-I1553 HydrophobicContact CG-CB 4.18Å; K1547-I1553 WeakPolarHBondContact CG-O 3.3Å; K1547-I1553 PolarHBondContact NZ-O 3.14Å |
| 1548 | I | 83.3 | Confident | 87.7 | Confident | 34 Ų | 34 | 17 Ų | 17 | 17% | 0.174 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.2 | -31.1 | 175.2 | -73.9 | 171.4 | 0 | 0 | 0 | 111.3 | L1121 T1246 P1247 F1249 W1281 K1544 I1546 | L1121-I1548 HydrophobicContact CD1-CD1 3.5Å; L1121-I1548 VanDerWaalsContact CD1-CD1 3.5Å; T1246-I1548 HydrophobicContact CG2-CG1 3.88Å; P1247-I1548 HydrophobicContact CG-CG1 4.46Å; F1249-I1548 VanDerWaalsContact CE1-O 3.23Å; F1249-I1548 WeakPolarHBondContact CE1-O 3.34Å; W1281-I1548 HydrophobicContact CH2-CG2 3.53Å; W1281-I1548 HydrophobicContact CZ2-CG2 4.17Å; W1281-I1548 HydrophobicContact CZ3-CG2 4.08Å; K1544-I1548 HydrophobicContact CG-CD1 4.2Å; K1544-I1548 HydrophobicContact CG-CG1 4.48Å; K1544-I1548 VanDerWaalsContact O-CG1 3.32Å; K1544-I1548 WeakPolarHBondContact O-CG1 3.3Å; K1544-I1548 PolarHBondContact O-N 3.06Å; I1546-I1548 VanDerWaalsContact C-N 3.32Å; I1546-I1548 PolarHBondContact O-N 3.08Å |
| 1549 | R | 85.3 | Confident | 88 | Confident | 17 Ų | 17 | 16.1 Ų | 16.1 | 6% | 0.064 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -79.6 | -33 | 177.8 | -55.6 | -170.4 | -178.3 | -163.2 | -0.8 | 112 | W1281 L1311 Y1312 L1313 D1314 D1320 I1546 K1547 | W1281-R1549 HydrophobicContact CB-CG 4.42Å; W1281-R1549 VanDerWaalsContact CD1-CZ 3.48Å; W1281-R1549 HydrophobicContact CD2-CB 4.29Å; W1281-R1549 HydrophobicContact CD2-CG 3.68Å; W1281-R1549 HydrophobicContact CE3-CB 4.28Å; W1281-R1549 HydrophobicContact CE3-CG 4.06Å; W1281-R1549 HydrophobicContact CG-CB 4.4Å; W1281-R1549 HydrophobicContact CG-CG 3.82Å; L1311-R1549 HydrophobicContact CD1-CB 4.03Å; L1311-R1549 WeakPolarHBondContact CD2-O 3.34Å; Y1312-R1549 WeakPolarHBondContact O-CD 3.49Å; Y1312-R1549 PolarHBondContact O-NH1 2.84Å; L1313-R1549 VanDerWaalsContact CA-NH1 3.29Å; L1313-R1549 HydrophobicContact CD2-CB 4.06Å; L1313-R1549 HydrophobicContact CD2-CG 4.37Å; D1314-R1549 IonicContact OD1-CZ 3.78Å; D1314-R1549 IonicContact OD1-NH1 3.79Å; D1314-R1549 PolarHBondContact OD1-NH1 2.77Å; D1314-R1549 IonicContact OD1-NH2 2.86Å; D1314-R1549 PolarHBondContact OD1-NH2 3.11Å; D1314-R1549 IonicContact OD2-CZ 3.32Å; D1314-R1549 IonicContact OD2-NH1 3.85Å; D1314-R1549 IonicContact OD2-NH2 2.81Å; D1314-R1549 PolarHBondContact OD2-NH2 2.91Å; D1320-R1549 IonicContact OD1-NH1 3.71Å; I1546-R1549 PolarHBondContact O-N 2.83Å; I1546-R1549 VanDerWaalsContact O-N 3.08Å; K1547-R1549 PolarHBondContact O-N 2.87Å |
| 1550 | R | 88.3 | Confident | 88.2 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -152.2 | 109.7 | 173.7 | -178.7 | 173.1 | -84.6 | 156.7 | 1.9 | 111.3 | L1275 N1309 L1311 L1324 G1514 A1515 I1546 K1547 S1552 I1553 | L1275-R1550 PolarHBondContact O-NE 2.98Å; L1275-R1550 VanDerWaalsContact O-NE 3.14Å; N1309-R1550 PolarHBondContact OD1-NH2 2.94Å; L1311-R1550 HydrophobicContact CD2-CB 3.67Å; L1311-R1550 HydrophobicContact CD2-CG 4.41Å; L1311-R1550 VanDerWaalsContact CD2-CZ 3.45Å; L1324-R1550 PolarHBondContact O-NH1 3.12Å; G1514-R1550 PolarHBondContact O-NH1 2.86Å; A1515-R1550 HydrophobicContact CB-CG 4.11Å; I1546-R1550 PolarHBondContact O-N 3.01Å; K1547-R1550 CarbonylContact O-C 3.47Å; K1547-R1550 PolarHBondContact O-N 3.46Å; R1550-S1552 VanDerWaalsContact C-N 3.33Å; R1550-S1552 PolarHBondContact O-N 3.39Å; R1550-I1553 HydrophobicContact CB-CD1 3.91Å; R1550-I1553 HydrophobicContact CB-CG1 4.3Å; R1550-I1553 HydrophobicContact CG-CD1 4.42Å; R1550-I1553 HydrophobicContact CG-CG1 4.36Å; R1550-I1553 VanDerWaalsContact O-CG1 3.29Å; R1550-I1553 WeakPolarHBondContact O-CG1 3.31Å; R1550-I1553 PolarHBondContact O-N 3.48Å | ||
| 1551 | K | 82.3 | Confident | 88.6 | Confident | 37 Ų | 37 | 20 Ų | 20 | 16% | 0.161 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -28.1 | -165.9 | -179.3 | 156.3 | 158.8 | -93 | 0 | 114.4 | L1248 F1249 D1274 K1547 I1553 | L1248-K1551 HydrophobicContact CD2-CD 4.3Å; F1249-K1551 HydrophobicContact CE2-CB 4.36Å; D1274-K1551 HydrophobicContact CB-CB 3.96Å; D1274-K1551 HydrophobicContact CB-CG 4.35Å; D1274-K1551 VanDerWaalsContact CG-NZ 3.28Å; D1274-K1551 PolarHBondContact O-N 3.12Å; D1274-K1551 WeakPolarHBondContact OD1-CD 3.37Å; D1274-K1551 IonicContact OD1-NZ 3.01Å; D1274-K1551 PolarHBondContact OD1-NZ 3.06Å; D1274-K1551 IonicContact OD2-NZ 3.12Å; D1274-K1551 PolarHBondContact OD2-NZ 3.28Å; K1547-K1551 PolarHBondContact NZ-O 2.86Å; K1547-K1551 VanDerWaalsContact O-CA 3.28Å; K1547-K1551 WeakPolarHBondContact O-CA 3.46Å; K1547-K1551 PolarHBondContact O-N 2.98Å; K1547-K1551 VanDerWaalsContact O-N 3.16Å; K1551-I1553 PolarHBondContact O-N 2.97Å; K1551-I1553 VanDerWaalsContact O-N 3.13Å |
| 1552 | S | 87 | Confident | 89 | Confident | 20 Ų | 20 | 20.2 Ų | 20.2 | 14% | 0.14 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -4.9 | 177.8 | -65.6 | 0 | 0 | 0 | 0 | 115.4 | D1274 R1550 | D1274-S1552 VanDerWaalsContact CB-OG 3.27Å; D1274-S1552 WeakPolarHBondContact CB-OG 3.39Å; D1274-S1552 PolarHBondContact O-N 3.33Å; D1274-S1552 PolarHBondContact O-OG 3.43Å; R1550-S1552 VanDerWaalsContact C-N 3.33Å; R1550-S1552 PolarHBondContact O-N 3.39Å |
| 1553 | I | 90.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 131.8 | -179.4 | -64.4 | 174.2 | 0 | 0 | 0 | 110.6 | L1324 V1523 I1546 K1547 R1550 K1551 | L1324-I1553 HydrophobicContact CD2-CD1 3.66Å; L1324-I1553 HydrophobicContact CD2-CG1 4.44Å; V1523-I1553 HydrophobicContact CG2-CG2 3.84Å; I1546-I1553 HydrophobicContact CG2-CD1 3.38Å; I1546-I1553 HydrophobicContact CG2-CG1 4.49Å; I1546-I1553 HydrophobicContact CG2-CG2 3.99Å; K1547-I1553 WeakPolarHBondContact CD-O 3.35Å; K1547-I1553 HydrophobicContact CG-CB 4.18Å; K1547-I1553 WeakPolarHBondContact CG-O 3.3Å; K1547-I1553 PolarHBondContact NZ-O 3.14Å; R1550-I1553 HydrophobicContact CB-CD1 3.91Å; R1550-I1553 HydrophobicContact CB-CG1 4.3Å; R1550-I1553 HydrophobicContact CG-CD1 4.42Å; R1550-I1553 HydrophobicContact CG-CG1 4.36Å; R1550-I1553 VanDerWaalsContact O-CG1 3.29Å; R1550-I1553 WeakPolarHBondContact O-CG1 3.31Å; R1550-I1553 PolarHBondContact O-N 3.48Å; K1551-I1553 PolarHBondContact O-N 2.97Å; K1551-I1553 VanDerWaalsContact O-N 3.13Å |
| 1554 | L | 90 | Very high | 89.5 | Confident | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 46.2 | -173.5 | -60.1 | -174 | 0 | 0 | 0 | 114.5 | W1239 H1243 L1520 V1523 I1543 S1556 Q1559 L1560 V1563 | W1239-L1554 PolarHBondContact NE1-O 3.23Å; H1243-L1554 PolarHBondContact CE1-O 2.86Å; H1243-L1554 PolarHBondContact NE2-O 2.83Å; L1520-L1554 HydrophobicContact CB-CD2 4.47Å; L1520-L1554 HydrophobicContact CD1-CD2 3.51Å; V1523-L1554 HydrophobicContact CG1-CD1 4.22Å; V1523-L1554 HydrophobicContact CG2-CD1 4.31Å; V1523-L1554 HydrophobicContact CG2-CG 4.32Å; I1543-L1554 HydrophobicContact CD1-CD1 3.64Å; I1543-L1554 HydrophobicContact CG1-CD1 3.97Å; I1543-L1554 HydrophobicContact CG2-CD1 3.71Å; L1554-S1556 PolarHBondContact O-N 3.36Å; L1554-Q1559 HydrophobicContact CD2-CB 3.72Å; L1554-L1560 HydrophobicContact CD1-CD1 4.34Å; L1554-V1563 HydrophobicContact CD1-CG2 4.25Å; L1554-V1563 HydrophobicContact CD2-CG2 3.97Å |
| 1555 | A | 84.6 | Confident | 89.7 | Confident | 53 Ų | 53 | 24.4 Ų | 24.4 | 44% | 0.438 | 13% | 0.125 | S | C | . | . | trans | -63.8 | -5.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | W1239 Q1559 | W1239-A1555 VanDerWaalsContact CZ2-O 3.26Å; W1239-A1555 WeakPolarHBondContact CZ2-O 3.21Å; A1555-Q1559 VanDerWaalsContact N-OE1 3.16Å | ||
| 1556 | S | 88.2 | Confident | 90.2 | Very high | 27 Ų | 27 | 22.8 Ų | 22.8 | 19% | 0.189 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -131 | 149.5 | 178.1 | 80.7 | 0 | 0 | 0 | 0 | 113.1 | W1239 L1554 D1558 Q1559 L1560 | W1239-S1556 PolarHBondContact NE1-O 2.74Å; L1554-S1556 PolarHBondContact O-N 3.36Å; S1556-D1558 PolarHBondContact O-N 3.24Å; S1556-Q1559 PolarHBondContact O-N 2.71Å; S1556-Q1559 WeakPolarHBondContact OG-CG 3.47Å; S1556-Q1559 PolarHBondContact OG-N 2.98Å; S1556-Q1559 VanDerWaalsContact OG-N 3.16Å; S1556-L1560 PolarHBondContact O-N 3.35Å |
| 1557 | P | 89.7 | Confident | 90.3 | Very high | 33 Ų | 33 | 22.5 Ų | 22.5 | 21% | 0.214 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.8 | -22.3 | 174.5 | 26.4 | -35.1 | 0 | 0 | 0 | 112.2 | W1239 L1560 R1561 | W1239-P1557 HydrophobicContact CB-CB 4.31Å; W1239-P1557 HydrophobicContact CD2-CB 4.16Å; W1239-P1557 HydrophobicContact CG-CB 4.03Å; P1557-L1560 PolarHBondContact O-N 3.05Å; P1557-R1561 WeakPolarHBondContact O-CB 3.25Å; P1557-R1561 PolarHBondContact O-N 2.96Å |
| 1558 | D | 91.4 | Very high | 90.5 | Very high | 48 Ų | 48 | 24.4 Ų | 24.4 | 26% | 0.257 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -71.1 | -36.4 | 175.8 | -68.8 | -45.1 | 0 | 0 | 0 | 112.4 | M1482 S1556 R1561 F1562 | M1482-D1558 HydrophobicContact CB-CB 4.3Å; M1482-D1558 HydrophobicContact CE-CB 3.58Å; M1482-D1558 HydrophobicContact CG-CB 4.39Å; S1556-D1558 PolarHBondContact O-N 3.24Å; D1558-R1561 WeakPolarHBondContact O-CB 3.34Å; D1558-R1561 PolarHBondContact O-N 2.89Å; D1558-F1562 PolarHBondContact O-N 2.91Å |
| 1559 | Q | 93 | Very high | 90.8 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.009 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.7 | -42 | 171.3 | -73.5 | 180 | -22.6 | 0 | 0 | 111.4 | D1483 V1484 L1520 L1554 A1555 S1556 R1561 F1562 V1563 | D1483-Q1559 PolarHBondContact O-NE2 3.18Å; V1484-Q1559 HydrophobicContact CG1-CB 4.38Å; V1484-Q1559 HydrophobicContact CG1-CG 3.72Å; L1520-Q1559 HydrophobicContact CD1-CB 4.32Å; L1554-Q1559 HydrophobicContact CD2-CB 3.72Å; A1555-Q1559 VanDerWaalsContact N-OE1 3.16Å; S1556-Q1559 PolarHBondContact O-N 2.71Å; S1556-Q1559 WeakPolarHBondContact OG-CG 3.47Å; S1556-Q1559 PolarHBondContact OG-N 2.98Å; S1556-Q1559 VanDerWaalsContact OG-N 3.16Å; Q1559-R1561 VanDerWaalsContact C-N 3.31Å; Q1559-R1561 PolarHBondContact O-N 3.5Å; Q1559-F1562 WeakPolarHBondContact O-CB 3.41Å; Q1559-F1562 PolarHBondContact O-N 3.09Å; Q1559-F1562 VanDerWaalsContact O-N 3.13Å; Q1559-V1563 WeakPolarHBondContact O-CG2 3.23Å; Q1559-V1563 PolarHBondContact O-N 2.99Å |
| 1560 | L | 93.9 | Very high | 91 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.4 | -41.8 | 173.6 | -176.6 | 63.2 | 0 | 0 | 0 | 111.5 | L1235 Q1238 W1239 L1242 L1539 I1543 L1554 S1556 P1557 F1562 V1563 Y1564 | L1235-L1560 HydrophobicContact CD1-CD2 4.03Å; L1235-L1560 HydrophobicContact CD1-CG 4.09Å; L1235-L1560 HydrophobicContact CG-CD2 4.4Å; Q1238-L1560 HydrophobicContact CB-CD2 4.4Å; Q1238-L1560 HydrophobicContact CG-CD2 4.47Å; W1239-L1560 HydrophobicContact CB-CD2 3.71Å; L1242-L1560 HydrophobicContact CD1-CD1 4.47Å; L1242-L1560 HydrophobicContact CD1-CD2 4.39Å; L1539-L1560 HydrophobicContact CD2-CD1 4.02Å; I1543-L1560 HydrophobicContact CD1-CD1 3.66Å; L1554-L1560 HydrophobicContact CD1-CD1 4.34Å; S1556-L1560 PolarHBondContact O-N 3.35Å; P1557-L1560 PolarHBondContact O-N 3.05Å; L1560-F1562 VanDerWaalsContact C-N 3.29Å; L1560-F1562 PolarHBondContact O-N 2.86Å; L1560-V1563 WeakPolarHBondContact O-CB 3.25Å; L1560-V1563 PolarHBondContact O-N 2.78Å; L1560-Y1564 HydrophobicContact CD1-CD2 4.48Å; L1560-Y1564 HydrophobicContact CD1-CE2 4.12Å; L1560-Y1564 HydrophobicContact CG-CD2 4.4Å; L1560-Y1564 HydrophobicContact CG-CE2 4.17Å; L1560-Y1564 WeakPolarHBondContact O-CD2 3.28Å; L1560-Y1564 PolarHBondContact O-N 2.91Å |
| 1561 | R | 94.5 | Very high | 90.9 | Very high | 86 Ų | 86 | 24.4 Ų | 24.4 | 33% | 0.325 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -58.2 | -41.8 | 173.2 | -170.6 | -175.6 | -63.5 | -161.6 | 0.8 | 111.9 | Y1220 L1235 P1557 D1558 Q1559 R1565 | Y1220-R1561 HydrophobicContact CE2-CG 3.98Å; Y1220-R1561 VanDerWaalsContact OH-CG 3.31Å; Y1220-R1561 WeakPolarHBondContact OH-CG 3.28Å; L1235-R1561 HydrophobicContact CD2-CB 3.76Å; L1235-R1561 HydrophobicContact CD2-CG 4.05Å; P1557-R1561 WeakPolarHBondContact O-CB 3.25Å; P1557-R1561 PolarHBondContact O-N 2.96Å; D1558-R1561 WeakPolarHBondContact O-CB 3.34Å; D1558-R1561 PolarHBondContact O-N 2.89Å; Q1559-R1561 VanDerWaalsContact C-N 3.31Å; Q1559-R1561 PolarHBondContact O-N 3.5Å; R1561-R1565 WeakPolarHBondContact O-CG 3.36Å; R1561-R1565 PolarHBondContact O-N 3.16Å |
| 1562 | F | 94.6 | Very high | 90.8 | Very high | 11 Ų | 11 | 27.3 Ų | 27.3 | 5% | 0.048 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 176.8 | -178.5 | -84.9 | 0 | 0 | 0 | 111.3 | V1484 P1485 R1488 I1491 L1520 D1558 Q1559 L1560 Y1564 R1565 F1566 | V1484-F1562 HydrophobicContact CB-CB 4.29Å; V1484-F1562 HydrophobicContact CB-CD2 3.82Å; V1484-F1562 HydrophobicContact CB-CE2 4.43Å; V1484-F1562 HydrophobicContact CB-CG 4.15Å; V1484-F1562 HydrophobicContact CG1-CB 3.8Å; V1484-F1562 HydrophobicContact CG1-CD2 4.28Å; V1484-F1562 HydrophobicContact CG1-CG 4.12Å; V1484-F1562 HydrophobicContact CG2-CD2 4.34Å; P1485-F1562 HydrophobicContact CB-CE2 4.26Å; P1485-F1562 HydrophobicContact CB-CZ 4.15Å; P1485-F1562 HydrophobicContact CG-CE2 4.29Å; P1485-F1562 HydrophobicContact CG-CZ 3.89Å; P1485-F1562 WeakPolarHBondContact O-CE2 3.47Å; R1488-F1562 HydrophobicContact CG-CD2 4.19Å; R1488-F1562 HydrophobicContact CG-CE2 3.5Å; R1488-F1562 VanDerWaalsContact CG-CE2 3.5Å; R1488-F1562 HydrophobicContact CG-CZ 3.83Å; I1491-F1562 HydrophobicContact CG1-CZ 4.25Å; L1520-F1562 HydrophobicContact CD1-CD1 4.06Å; L1520-F1562 HydrophobicContact CD2-CD1 4.13Å; L1520-F1562 HydrophobicContact CD2-CE1 4.4Å; L1520-F1562 HydrophobicContact CG-CD1 4.41Å; D1558-F1562 PolarHBondContact O-N 2.91Å; Q1559-F1562 WeakPolarHBondContact O-CB 3.41Å; Q1559-F1562 PolarHBondContact O-N 3.09Å; Q1559-F1562 VanDerWaalsContact O-N 3.13Å; L1560-F1562 VanDerWaalsContact C-N 3.29Å; L1560-F1562 PolarHBondContact O-N 2.86Å; F1562-Y1564 PolarHBondContact O-N 2.88Å; F1562-R1565 CarbonylContact O-C 3.56Å; F1562-R1565 PolarHBondContact O-N 3.39Å; F1562-F1566 HydrophobicContact CD1-CB 4.35Å; F1562-F1566 HydrophobicContact CE1-CB 4.12Å; F1562-F1566 WeakPolarHBondContact O-CB 3.34Å; F1562-F1566 PolarHBondContact O-N 3.29Å |
| 1563 | V | 95.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.1 | -49.4 | 178.2 | 173.4 | 0 | 0 | 0 | 0 | 111.8 | L1520 V1523 L1527 L1539 L1554 Q1559 L1560 R1565 F1566 L1567 | L1520-V1563 HydrophobicContact CD1-CG2 3.74Å; V1523-V1563 HydrophobicContact CG1-CG1 4.15Å; V1523-V1563 HydrophobicContact CG1-CG2 3.98Å; L1527-V1563 HydrophobicContact CD1-CG1 3.35Å; L1539-V1563 HydrophobicContact CD1-CG1 4.2Å; L1554-V1563 HydrophobicContact CD1-CG2 4.25Å; L1554-V1563 HydrophobicContact CD2-CG2 3.97Å; Q1559-V1563 WeakPolarHBondContact O-CG2 3.23Å; Q1559-V1563 PolarHBondContact O-N 2.99Å; L1560-V1563 WeakPolarHBondContact O-CB 3.25Å; L1560-V1563 PolarHBondContact O-N 2.78Å; V1563-R1565 PolarHBondContact O-N 3.22Å; V1563-F1566 PolarHBondContact O-N 3.01Å; V1563-L1567 PolarHBondContact O-N 2.7Å |
| 1564 | Y | 94.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.6 | -46 | 176.3 | -82.4 | -81.3 | 0 | 0 | 0 | 112.2 | C1210 V1212 V1216 T1219 Y1220 L1223 L1235 Q1238 L1539 L1560 F1562 F1566 L1567 I1568 | C1210-Y1564 PolarHBondContact SG-OH 3.31Å; V1212-Y1564 HydrophobicContact CG2-CE1 4.49Å; V1216-Y1564 HydrophobicContact CG1-CD1 3.88Å; T1219-Y1564 HydrophobicContact CG2-CE1 4.38Å; Y1220-Y1564 VanDerWaalsContact CD2-CB 3.47Å; Y1220-Y1564 HydrophobicContact CD2-CD1 4.36Å; Y1220-Y1564 HydrophobicContact CD2-CD2 4.38Å; Y1220-Y1564 AromaticContact CD2-CG 3.84Å; Y1220-Y1564 HydrophobicContact CD2-CG 3.84Å; L1223-Y1564 HydrophobicContact CD1-CE1 3.83Å; L1223-Y1564 HydrophobicContact CD1-CE2 3.9Å; L1223-Y1564 WeakPolarHBondContact CD1-OH 3.39Å; L1235-Y1564 HydrophobicContact CD1-CD2 3.68Å; L1235-Y1564 HydrophobicContact CD1-CE2 3.57Å; Q1238-Y1564 VanDerWaalsContact CD-OH 3.29Å; Q1238-Y1564 PolarHBondContact NE2-OH 3.1Å; Q1238-Y1564 PolarHBondContact OE1-OH 2.83Å; L1539-Y1564 HydrophobicContact CD1-CD1 4.17Å; L1539-Y1564 HydrophobicContact CD1-CE1 3.85Å; L1539-Y1564 HydrophobicContact CD1-CE2 4.32Å; L1539-Y1564 HydrophobicContact CD2-CE2 3.91Å; L1560-Y1564 HydrophobicContact CD1-CD2 4.48Å; L1560-Y1564 HydrophobicContact CD1-CE2 4.12Å; L1560-Y1564 HydrophobicContact CG-CD2 4.4Å; L1560-Y1564 HydrophobicContact CG-CE2 4.17Å; L1560-Y1564 WeakPolarHBondContact O-CD2 3.28Å; L1560-Y1564 PolarHBondContact O-N 2.91Å; F1562-Y1564 PolarHBondContact O-N 2.88Å; Y1564-F1566 VanDerWaalsContact C-N 3.31Å; Y1564-F1566 PolarHBondContact O-N 2.86Å; Y1564-L1567 PolarHBondContact O-N 3.16Å; Y1564-I1568 WeakPolarHBondContact O-CD1 3.31Å; Y1564-I1568 VanDerWaalsContact O-CG1 3.28Å; Y1564-I1568 WeakPolarHBondContact O-CG1 3.42Å; Y1564-I1568 PolarHBondContact O-N 2.78Å |
| 1565 | R | 94.3 | Very high | 88.9 | Confident | 100 Ų | 100 | 33 Ų | 33 | 38% | 0.377 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.8 | -35.9 | 178.8 | -70.5 | 177.9 | 172.8 | -168.1 | -6 | 112.3 | Y1220 R1561 F1562 V1563 Q1569 | Y1220-R1565 HydrophobicContact CE1-CG 4.21Å; Y1220-R1565 PolarHBondContact OH-NE 2.95Å; Y1220-R1565 PolarHBondContact OH-NH2 2.83Å; R1561-R1565 WeakPolarHBondContact O-CG 3.36Å; R1561-R1565 PolarHBondContact O-N 3.16Å; F1562-R1565 CarbonylContact O-C 3.56Å; F1562-R1565 PolarHBondContact O-N 3.39Å; V1563-R1565 PolarHBondContact O-N 3.22Å; R1565-Q1569 WeakPolarHBondContact O-CB 3.29Å; R1565-Q1569 PolarHBondContact O-N 3.08Å; R1565-Q1569 VanDerWaalsContact O-N 3.14Å |
| 1566 | F | 94.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.4 | -47.9 | 174 | 161.2 | -95.7 | 0 | 0 | 0 | 110.6 | I1491 V1492 L1495 C1524 A1528 F1562 V1563 Y1564 I1568 Q1569 W1570 | I1491-F1566 HydrophobicContact CB-CD2 4.36Å; I1491-F1566 HydrophobicContact CB-CE2 4.36Å; I1491-F1566 HydrophobicContact CG2-CD2 3.93Å; I1491-F1566 HydrophobicContact CG2-CE2 3.68Å; I1491-F1566 HydrophobicContact CG2-CZ 4.47Å; V1492-F1566 HydrophobicContact CG2-CD2 4.14Å; V1492-F1566 HydrophobicContact CG2-CE2 3.79Å; L1495-F1566 HydrophobicContact CD1-CE2 4.18Å; L1495-F1566 HydrophobicContact CD1-CZ 3.69Å; C1524-F1566 HydrophobicContact CB-CD1 3.72Å; C1524-F1566 HydrophobicContact CB-CE1 3.6Å; C1524-F1566 HydrophobicContact CB-CG 4.29Å; C1524-F1566 HydrophobicContact CB-CZ 4.06Å; C1524-F1566 VanDerWaalsContact O-CE1 3.32Å; C1524-F1566 WeakPolarHBondContact O-CE1 3.48Å; A1528-F1566 HydrophobicContact CB-CE1 4.02Å; A1528-F1566 HydrophobicContact CB-CZ 4.04Å; F1562-F1566 HydrophobicContact CD1-CB 4.35Å; F1562-F1566 HydrophobicContact CE1-CB 4.12Å; F1562-F1566 WeakPolarHBondContact O-CB 3.34Å; F1562-F1566 PolarHBondContact O-N 3.29Å; V1563-F1566 PolarHBondContact O-N 3.01Å; Y1564-F1566 VanDerWaalsContact C-N 3.31Å; Y1564-F1566 PolarHBondContact O-N 2.86Å; F1566-I1568 VanDerWaalsContact C-N 3.34Å; F1566-I1568 PolarHBondContact O-N 3.11Å; F1566-Q1569 CarbonylContact O-C 3.5Å; F1566-Q1569 WeakPolarHBondContact O-CA 3.29Å; F1566-Q1569 WeakPolarHBondContact O-CB 3.34Å; F1566-Q1569 PolarHBondContact O-N 3.1Å; F1566-W1570 HydrophobicContact CE1-CB 4.45Å; F1566-W1570 HydrophobicContact CE2-CE3 4.11Å; F1566-W1570 HydrophobicContact CZ-CB 4.22Å; F1566-W1570 HydrophobicContact CZ-CD2 4.24Å; F1566-W1570 AromaticContact CZ-CE3 3.78Å; F1566-W1570 HydrophobicContact CZ-CE3 3.78Å; F1566-W1570 HydrophobicContact CZ-CG 4.44Å; F1566-W1570 WeakPolarHBondContact O-CB 3.33Å; F1566-W1570 PolarHBondContact O-N 3.45Å |
| 1567 | L | 93 | Very high | 87 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.3 | -41.4 | 178.5 | -80.4 | 174.2 | 0 | 0 | 0 | 112.7 | V1216 L1527 M1531 L1539 V1563 Y1564 Q1569 W1570 I1571 | V1216-L1567 HydrophobicContact CG1-CB 4.14Å; V1216-L1567 HydrophobicContact CG2-CB 4.4Å; L1527-L1567 HydrophobicContact CB-CD1 4.18Å; L1527-L1567 HydrophobicContact CB-CD2 4Å; L1527-L1567 HydrophobicContact CB-CG 4.44Å; L1527-L1567 HydrophobicContact CD1-CD1 4.17Å; M1531-L1567 HydrophobicContact CB-CD2 4.44Å; L1539-L1567 HydrophobicContact CD1-CD1 3.61Å; V1563-L1567 PolarHBondContact O-N 2.7Å; Y1564-L1567 PolarHBondContact O-N 3.16Å; L1567-Q1569 VanDerWaalsContact C-N 3.27Å; L1567-Q1569 PolarHBondContact O-N 3.11Å; L1567-W1570 PolarHBondContact O-N 2.95Å; L1567-I1571 VanDerWaalsContact O-CG1 3.31Å; L1567-I1571 WeakPolarHBondContact O-CG1 3.32Å; L1567-I1571 PolarHBondContact O-N 3.18Å |
| 1568 | I | 92.3 | Very high | 85.6 | Confident | 42 Ų | 42 | 36.4 Ų | 36.4 | 22% | 0.215 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.8 | -43.4 | 173.5 | -66.3 | 160 | 0 | 0 | 0 | 110.5 | V1216 Y1217 Y1220 Y1564 F1566 K1572 | V1216-I1568 HydrophobicContact CB-CG1 3.87Å; V1216-I1568 HydrophobicContact CG1-CD1 4.38Å; V1216-I1568 HydrophobicContact CG1-CG1 3.77Å; Y1217-I1568 HydrophobicContact CD2-CD1 4.17Å; Y1220-I1568 HydrophobicContact CD1-CD1 3.96Å; Y1220-I1568 HydrophobicContact CG-CD1 4.14Å; Y1564-I1568 WeakPolarHBondContact O-CD1 3.31Å; Y1564-I1568 VanDerWaalsContact O-CG1 3.28Å; Y1564-I1568 WeakPolarHBondContact O-CG1 3.42Å; Y1564-I1568 PolarHBondContact O-N 2.78Å; F1566-I1568 VanDerWaalsContact C-N 3.34Å; F1566-I1568 PolarHBondContact O-N 3.11Å; I1568-K1572 WeakPolarHBondContact O-CB 3.32Å; I1568-K1572 PolarHBondContact O-N 3.39Å; I1568-K1572 VanDerWaalsContact O-N 3.14Å |
| 1569 | Q | 88.6 | Confident | 83.5 | Confident | 31 Ų | 31 | 38.3 Ų | 38.3 | 15% | 0.145 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.9 | -43.2 | 177.2 | -168.2 | 79.1 | 19.8 | 0 | 0 | 111.8 | I1489 V1492 R1565 F1566 L1567 K1572 Y1573 | I1489-Q1569 HydrophobicContact CG1-CG 4.45Å; V1492-Q1569 HydrophobicContact CG2-CG 4.19Å; R1565-Q1569 WeakPolarHBondContact O-CB 3.29Å; R1565-Q1569 PolarHBondContact O-N 3.08Å; R1565-Q1569 VanDerWaalsContact O-N 3.14Å; F1566-Q1569 CarbonylContact O-C 3.5Å; F1566-Q1569 WeakPolarHBondContact O-CA 3.29Å; F1566-Q1569 WeakPolarHBondContact O-CB 3.34Å; F1566-Q1569 PolarHBondContact O-N 3.1Å; L1567-Q1569 VanDerWaalsContact C-N 3.27Å; L1567-Q1569 PolarHBondContact O-N 3.11Å; Q1569-K1572 PolarHBondContact O-N 3.32Å; Q1569-Y1573 HydrophobicContact CG-CD2 4.06Å; Q1569-Y1573 HydrophobicContact CG-CE2 4.32Å; Q1569-Y1573 VanDerWaalsContact NE2-CD2 3.34Å; Q1569-Y1573 WeakPolarHBondContact O-CD2 3.26Å; Q1569-Y1573 PolarHBondContact O-N 3.23Å |
| 1570 | W | 89.4 | Confident | 81.1 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.5 | -50.8 | 178.2 | -179.1 | -91.4 | 0 | 0 | 0 | 111.3 | V1492 L1495 E1496 A1528 T1532 F1566 L1567 K1572 Y1573 T1574 | V1492-W1570 HydrophobicContact CB-CE3 4.3Å; V1492-W1570 HydrophobicContact CG1-CE3 3.88Å; V1492-W1570 HydrophobicContact CG1-CZ3 4.04Å; V1492-W1570 HydrophobicContact CG2-CE3 4.2Å; L1495-W1570 HydrophobicContact CB-CH2 4.2Å; L1495-W1570 HydrophobicContact CB-CZ3 3.83Å; L1495-W1570 HydrophobicContact CD1-CZ3 4.47Å; E1496-W1570 HydrophobicContact CG-CH2 4.08Å; E1496-W1570 HydrophobicContact CG-CZ3 4.16Å; A1528-W1570 HydrophobicContact CB-CD2 3.79Å; A1528-W1570 HydrophobicContact CB-CE3 4.24Å; A1528-W1570 HydrophobicContact CB-CG 4.14Å; A1528-W1570 HydrophobicContact CB-CZ2 4.08Å; T1532-W1570 PolarHBondContact OG1-NE1 3.01Å; F1566-W1570 HydrophobicContact CE1-CB 4.45Å; F1566-W1570 HydrophobicContact CE2-CE3 4.11Å; F1566-W1570 HydrophobicContact CZ-CB 4.22Å; F1566-W1570 HydrophobicContact CZ-CD2 4.24Å; F1566-W1570 AromaticContact CZ-CE3 3.78Å; F1566-W1570 HydrophobicContact CZ-CE3 3.78Å; F1566-W1570 HydrophobicContact CZ-CG 4.44Å; F1566-W1570 WeakPolarHBondContact O-CB 3.33Å; F1566-W1570 PolarHBondContact O-N 3.45Å; L1567-W1570 PolarHBondContact O-N 2.95Å; W1570-K1572 VanDerWaalsContact C-N 3.27Å; W1570-K1572 PolarHBondContact O-N 3.43Å; W1570-Y1573 PolarHBondContact O-N 2.79Å; W1570-T1574 HydrophobicContact CH2-CG2 4.4Å; W1570-T1574 HydrophobicContact CZ2-CG2 3.83Å; W1570-T1574 VanDerWaalsContact O-CB 3.31Å; W1570-T1574 WeakPolarHBondContact O-CB 3.43Å; W1570-T1574 PolarHBondContact O-N 3.47Å; W1570-T1574 PolarHBondContact O-OG1 2.8Å |
| 1571 | I | 85.9 | Confident | 78.8 | Confident | 18 Ų | 18 | 45.1 Ų | 45.1 | 9% | 0.092 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -58.8 | -43.1 | 177.6 | -67.1 | 164.9 | 0 | 0 | 0 | 110.4 | L1214 V1216 M1531 L1567 L1575 S1576 | L1214-I1571 HydrophobicContact CD2-CG2 4.47Å; V1216-I1571 HydrophobicContact CB-CD1 4.19Å; V1216-I1571 HydrophobicContact CG2-CD1 3.33Å; M1531-I1571 HydrophobicContact CE-CD1 4.32Å; M1531-I1571 HydrophobicContact CG-CD1 4.03Å; M1531-I1571 HydrophobicContact CG-CG1 3.97Å; M1531-I1571 HydrophobicContact SD-CD1 4.23Å; L1567-I1571 VanDerWaalsContact O-CG1 3.31Å; L1567-I1571 WeakPolarHBondContact O-CG1 3.32Å; L1567-I1571 PolarHBondContact O-N 3.18Å; I1571-L1575 HydrophobicContact CG1-CD1 4.23Å; I1571-L1575 HydrophobicContact CG2-CD1 4.41Å; I1571-L1575 WeakPolarHBondContact O-CA 3.5Å; I1571-L1575 WeakPolarHBondContact O-CB 3.36Å; I1571-L1575 PolarHBondContact O-N 2.93Å; I1571-L1575 VanDerWaalsContact O-N 3.15Å; I1571-S1576 PolarHBondContact O-N 2.9Å |
| 1572 | K | 81.7 | Confident | 76.3 | Confident | 99 Ų | 99 | 45.3 Ų | 45.3 | 43% | 0.43 | 23% | 0.234 | S | C | . | . | I | π-helix | trans | -58.4 | -55.1 | 178.7 | -176.5 | 178.6 | 173.5 | -173.3 | 0 | 111.7 | I1568 Q1569 W1570 S1576 E1577 | I1568-K1572 WeakPolarHBondContact O-CB 3.32Å; I1568-K1572 PolarHBondContact O-N 3.39Å; I1568-K1572 VanDerWaalsContact O-N 3.14Å; Q1569-K1572 PolarHBondContact O-N 3.32Å; W1570-K1572 VanDerWaalsContact C-N 3.27Å; W1570-K1572 PolarHBondContact O-N 3.43Å; K1572-S1576 VanDerWaalsContact CA-OG 3.29Å; K1572-S1576 WeakPolarHBondContact CA-OG 3.14Å; K1572-S1576 PolarHBondContact O-OG 2.78Å; K1572-E1577 WeakPolarHBondContact CE-OE1 3.24Å; K1572-E1577 HydrophobicContact CG-CG 4.48Å; K1572-E1577 IonicContact NZ-OE1 3.68Å; K1572-E1577 WeakPolarHBondContact O-CG 3.43Å; K1572-E1577 PolarHBondContact O-N 3.05Å |
| 1573 | Y | 78.7 | Confident | 73.7 | Confident | 88 Ų | 88 | 49.3 Ų | 49.3 | 35% | 0.345 | 26% | 0.259 | S | S | . | . | I | π-helix | trans | -81.8 | -36.6 | -170.3 | -81.6 | -99.5 | 0 | 0 | 0 | 114.1 | Q1569 W1570 P1578 | Q1569-Y1573 HydrophobicContact CG-CD2 4.06Å; Q1569-Y1573 HydrophobicContact CG-CE2 4.32Å; Q1569-Y1573 VanDerWaalsContact NE2-CD2 3.34Å; Q1569-Y1573 WeakPolarHBondContact O-CD2 3.26Å; Q1569-Y1573 PolarHBondContact O-N 3.23Å; W1570-Y1573 PolarHBondContact O-N 2.79Å; Y1573-P1578 VanDerWaalsContact O-CD 3.27Å; Y1573-P1578 WeakPolarHBondContact O-CD 3.48Å; Y1573-P1578 WeakPolarHBondContact O-CG 3.46Å |
| 1574 | T | 75 | Confident | 71.2 | Confident | 29 Ų | 29 | 53.6 Ų | 53.6 | 18% | 0.178 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -97.8 | -25.6 | -171.6 | -48.1 | 0 | 0 | 0 | 0 | 112.3 | E1496 W1570 | E1496-T1574 PolarHBondContact OE1-OG1 2.78Å; W1570-T1574 HydrophobicContact CH2-CG2 4.4Å; W1570-T1574 HydrophobicContact CZ2-CG2 3.83Å; W1570-T1574 VanDerWaalsContact O-CB 3.31Å; W1570-T1574 WeakPolarHBondContact O-CB 3.43Å; W1570-T1574 PolarHBondContact O-N 3.47Å; W1570-T1574 PolarHBondContact O-OG1 2.8Å |
| 1575 | L | 72.1 | Confident | 68.4 | Low | 24 Ų | 24 | 63 Ų | 63 | 13% | 0.126 | 32% | 0.321 | C | S | . | . | I | π-helix | trans | -108.4 | -61.5 | 179.1 | -57.9 | 175.2 | 0 | 0 | 0 | 111.9 | L1214 T1532 I1571 L1579 | L1214-L1575 HydrophobicContact CD2-CD1 3.69Å; T1532-L1575 HydrophobicContact CG2-CD2 4.28Å; I1571-L1575 HydrophobicContact CG1-CD1 4.23Å; I1571-L1575 HydrophobicContact CG2-CD1 4.41Å; I1571-L1575 WeakPolarHBondContact O-CA 3.5Å; I1571-L1575 WeakPolarHBondContact O-CB 3.36Å; I1571-L1575 PolarHBondContact O-N 2.93Å; I1571-L1575 VanDerWaalsContact O-N 3.15Å; L1575-L1579 WeakPolarHBondContact O-CD1 3.4Å; L1575-L1579 PolarHBondContact O-N 3.27Å |
| 1576 | S | 68.6 | Low | 65.7 | Low | 58 Ų | 58 | 65.2 Ų | 65.2 | 41% | 0.406 | 33% | 0.329 | S | S | . | . | I | π-helix | trans | -74 | -45.6 | -166.1 | 75.2 | 0 | 0 | 0 | 0 | 115 | I1571 K1572 L1579 A1580 | I1571-S1576 PolarHBondContact O-N 2.9Å; K1572-S1576 VanDerWaalsContact CA-OG 3.29Å; K1572-S1576 WeakPolarHBondContact CA-OG 3.14Å; K1572-S1576 PolarHBondContact O-OG 2.78Å; S1576-L1579 PolarHBondContact O-N 2.91Å; S1576-A1580 WeakPolarHBondContact O-CB 3.48Å; S1576-A1580 PolarHBondContact O-N 3.23Å |
| 1577 | E | 65.6 | Low | 63.1 | Low | 69 Ų | 69 | 70 Ų | 70 | 32% | 0.322 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.3 | -42.2 | -177.9 | -76.5 | -179 | -176.6 | 0 | 0 | 113.1 | K1572 L1579 A1580 N1581 | K1572-E1577 WeakPolarHBondContact CE-OE1 3.24Å; K1572-E1577 HydrophobicContact CG-CG 4.48Å; K1572-E1577 IonicContact NZ-OE1 3.68Å; K1572-E1577 WeakPolarHBondContact O-CG 3.43Å; K1572-E1577 PolarHBondContact O-N 3.05Å; E1577-L1579 PolarHBondContact O-N 2.81Å; E1577-A1580 PolarHBondContact O-N 3.21Å; E1577-N1581 WeakPolarHBondContact O-CB 3.38Å; E1577-N1581 PolarHBondContact O-N 2.88Å; E1577-N1581 PolarHBondContact O-ND2 3.27Å |
| 1578 | P | 59.5 | Low | 60.4 | Low | 57 Ų | 57 | 72.8 Ų | 72.8 | 37% | 0.37 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 174.1 | -25.9 | 35.9 | 0 | 0 | 0 | 112.8 | Y1573 N1581 L1582 | Y1573-P1578 VanDerWaalsContact O-CD 3.27Å; Y1573-P1578 WeakPolarHBondContact O-CD 3.48Å; Y1573-P1578 WeakPolarHBondContact O-CG 3.46Å; P1578-N1581 PolarHBondContact O-N 2.83Å; P1578-L1582 WeakPolarHBondContact O-CB 3.46Å; P1578-L1582 PolarHBondContact O-N 2.81Å |
| 1579 | L | 48 | Very low | 57.6 | Low | 88 Ų | 88 | 76.4 Ų | 76.4 | 46% | 0.461 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 175.1 | -88.8 | 158.1 | 0 | 0 | 0 | 111.4 | L1575 S1576 E1577 L1582 T1583 Y1622 | L1575-L1579 WeakPolarHBondContact O-CD1 3.4Å; L1575-L1579 PolarHBondContact O-N 3.27Å; S1576-L1579 PolarHBondContact O-N 2.91Å; E1577-L1579 PolarHBondContact O-N 2.81Å; L1579-L1582 PolarHBondContact O-N 2.84Å; L1579-T1583 PolarHBondContact O-N 3.42Å; L1579-Y1622 HydrophobicContact CD2-CE2 3.91Å |
| 1580 | A | 43.3 | Very low | 54.9 | Low | 46 Ų | 46 | 80.8 Ų | 80.8 | 38% | 0.38 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1576 E1577 L1582 T1583 V1584 | S1576-A1580 WeakPolarHBondContact O-CB 3.48Å; S1576-A1580 PolarHBondContact O-N 3.23Å; E1577-A1580 PolarHBondContact O-N 3.21Å; A1580-L1582 VanDerWaalsContact C-N 3.27Å; A1580-L1582 PolarHBondContact O-N 2.98Å; A1580-T1583 PolarHBondContact O-N 2.86Å; A1580-T1583 VanDerWaalsContact O-N 3.09Å; A1580-T1583 PolarHBondContact O-OG1 2.8Å; A1580-V1584 WeakPolarHBondContact O-CG2 3.33Å; A1580-V1584 PolarHBondContact O-N 3.14Å |
| 1581 | N | 44.1 | Very low | 52.1 | Low | 101 Ų | 101 | 86.4 Ų | 86.4 | 54% | 0.54 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.7 | -34.7 | 178.5 | -76.9 | -24.7 | 0 | 0 | 0 | 112.7 | E1577 P1578 R1585 | E1577-N1581 WeakPolarHBondContact O-CB 3.38Å; E1577-N1581 PolarHBondContact O-N 2.88Å; E1577-N1581 PolarHBondContact O-ND2 3.27Å; P1578-N1581 PolarHBondContact O-N 2.83Å; N1581-R1585 PolarHBondContact O-N 3.47Å; N1581-R1585 VanDerWaalsContact O-N 3.08Å |
| 1582 | L | 42.7 | Very low | 49.8 | Very low | 89 Ų | 89 | 91 Ų | 91 | 47% | 0.466 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 173.6 | -107.2 | 142.8 | 0 | 0 | 0 | 112.2 | P1578 L1579 A1580 | P1578-L1582 WeakPolarHBondContact O-CB 3.46Å; P1578-L1582 PolarHBondContact O-N 2.81Å; L1579-L1582 PolarHBondContact O-N 2.84Å; A1580-L1582 VanDerWaalsContact C-N 3.27Å; A1580-L1582 PolarHBondContact O-N 2.98Å |
| 1583 | T | 40.6 | Very low | 47.7 | Very low | 95 Ų | 95 | 96.5 Ų | 96.5 | 58% | 0.583 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.3 | -41.4 | 175.8 | 59.9 | 0 | 0 | 0 | 0 | 112.5 | L1579 A1580 R1586 | L1579-T1583 PolarHBondContact O-N 3.42Å; A1580-T1583 PolarHBondContact O-N 2.86Å; A1580-T1583 VanDerWaalsContact O-N 3.09Å; A1580-T1583 PolarHBondContact O-OG1 2.8Å; T1583-R1586 PolarHBondContact O-N 2.87Å |
| 1584 | V | 41.2 | Very low | 45.6 | Very low | 91 Ų | 91 | 97.4 Ų | 97.4 | 55% | 0.552 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -69.5 | -37.8 | -178.5 | 175.6 | 0 | 0 | 0 | 0 | 112.3 | A1580 R1586 S1587 G1588 | A1580-V1584 WeakPolarHBondContact O-CG2 3.33Å; A1580-V1584 PolarHBondContact O-N 3.14Å; V1584-R1586 PolarHBondContact O-N 3.03Å; V1584-S1587 PolarHBondContact O-N 2.85Å; V1584-S1587 VanDerWaalsContact O-N 3.16Å; V1584-S1587 PolarHBondContact O-OG 2.92Å; V1584-G1588 PolarHBondContact O-N 2.82Å |
| 1585 | R | 38.1 | Very low | 43.4 | Very low | 198 Ų | 198 | 102.5 Ų | 102.5 | 75% | 0.747 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.6 | -26.4 | 177.2 | -81.5 | -173.4 | 179.5 | -177.4 | 1.2 | 113.3 | N1581 | N1581-R1585 PolarHBondContact O-N 3.47Å; N1581-R1585 VanDerWaalsContact O-N 3.08Å |
| 1586 | R | 36 | Very low | 41.9 | Very low | 146 Ų | 146 | 105.3 Ų | 105.3 | 55% | 0.551 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -72.7 | -29.5 | 174.1 | -79.6 | -172.4 | 175.4 | -169.3 | -3.1 | 113.3 | T1583 V1584 | T1583-R1586 PolarHBondContact O-N 2.87Å; V1584-R1586 PolarHBondContact O-N 3.03Å |
| 1587 | S | 41.5 | Very low | 40.5 | Very low | 101 Ų | 101 | 110.5 Ų | 110.5 | 71% | 0.706 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -83.4 | -16.1 | 179.6 | 47.8 | 0 | 0 | 0 | 0 | 114.7 | V1584 | V1584-S1587 PolarHBondContact O-N 2.85Å; V1584-S1587 VanDerWaalsContact O-N 3.16Å; V1584-S1587 PolarHBondContact O-OG 2.92Å |
| 1588 | G | 35.5 | Very low | 39.4 | Very low | 58 Ų | 58 | 110.4 Ų | 110.4 | 60% | 0.598 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -115.3 | 0.9 | -160.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | V1584 | V1584-G1588 PolarHBondContact O-N 2.82Š|
| 1589 | L | 34.1 | Very low | 38.5 | Very low | 117 Ų | 117 | 111.4 Ų | 111.4 | 61% | 0.613 | 63% | 0.625 | S | S | * | * | trans | -133 | 87.6 | -168.9 | -95.3 | 141.3 | 0 | 0 | 0 | 113.2 | I1591 | L1589-I1591 VanDerWaalsContact C-N 3.35Å; L1589-I1591 HydrophobicContact CB-CD1 4.17Å; L1589-I1591 HydrophobicContact CB-CG1 3.9Å; L1589-I1591 HydrophobicContact CD2-CD1 3.88Å; L1589-I1591 HydrophobicContact CD2-CG1 3.48Å; L1589-I1591 VanDerWaalsContact CD2-CG1 3.48Å; L1589-I1591 HydrophobicContact CG-CG1 4.3Å; L1589-I1591 PolarHBondContact O-N 3.48Å; L1589-I1591 VanDerWaalsContact O-N 3.15Å | ||
| 1590 | S | 30.9 | Very low | 38 | Very low | 124 Ų | 124 | 111.8 Ų | 111.8 | 87% | 0.867 | 63% | 0.627 | S | S | * | * | trans | -67 | 91.5 | 150.9 | 53 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1591 | I | 31.6 | Very low | 37.7 | Very low | 119 Ų | 119 | 117.8 Ų | 117.8 | 61% | 0.61 | 65% | 0.645 | S | S | * | * | trans | -89 | 129.1 | 178.8 | -59.5 | 173.6 | 0 | 0 | 0 | 108.8 | L1589 F1593 | L1589-I1591 VanDerWaalsContact C-N 3.35Å; L1589-I1591 HydrophobicContact CB-CD1 4.17Å; L1589-I1591 HydrophobicContact CB-CG1 3.9Å; L1589-I1591 HydrophobicContact CD2-CD1 3.88Å; L1589-I1591 HydrophobicContact CD2-CG1 3.48Å; L1589-I1591 VanDerWaalsContact CD2-CG1 3.48Å; L1589-I1591 HydrophobicContact CG-CG1 4.3Å; L1589-I1591 PolarHBondContact O-N 3.48Å; L1589-I1591 VanDerWaalsContact O-N 3.15Å; I1591-F1593 PolarHBondContact O-N 3.39Å | ||
| 1592 | P | 36.8 | Very low | 37.4 | Very low | 114 Ų | 114 | 120.4 Ų | 120.4 | 74% | 0.74 | 65% | 0.654 | S | S | * | * | trans | -64.5 | 133.9 | -178.8 | -15.5 | 28.4 | 0 | 0 | 0 | 111.9 | S1594 | P1592-S1594 PolarHBondContact O-N 3.38Š| ||
| 1593 | F | 37.3 | Very low | 37 | Very low | 214 Ų | 214 | 123 Ų | 123 | 94% | 0.939 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -58.5 | 94.7 | 173.9 | -78.7 | -96 | 0 | 0 | 0 | 111.7 | I1591 | I1591-F1593 PolarHBondContact O-N 3.39Š|
| 1594 | S | 35.4 | Very low | 36.4 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 76% | 0.755 | 67% | 0.667 | S | S | * | * | trans | 175 | 73.9 | 145 | 60.5 | 0 | 0 | 0 | 0 | 110.6 | P1592 | P1592-S1594 PolarHBondContact O-N 3.38Š| ||
| 1595 | L | 29.2 | Very low | 36 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 71% | 0.707 | 67% | 0.673 | S | S | * | * | trans | -144 | 121.7 | 159.9 | -96.6 | 137.3 | 0 | 0 | 0 | 107.5 | I1599 | L1595-I1599 HydrophobicContact CD2-CD1 3.75Š| ||
| 1596 | S | 39.7 | Very low | 35.5 | Very low | 84 Ų | 84 | 129.8 Ų | 129.8 | 59% | 0.587 | 68% | 0.675 | S | S | * | * | trans | -63.9 | 146 | -168.6 | 60.5 | 0 | 0 | 0 | 0 | 112.1 | A1598 I1599 | S1596-A1598 PolarHBondContact O-N 3.31Å; S1596-I1599 PolarHBondContact O-N 3.33Å | ||
| 1597 | E | 39.7 | Very low | 35.7 | Very low | 166 Ų | 166 | 125.5 Ų | 125.5 | 78% | 0.776 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -50.1 | -18.4 | -175.9 | -148.4 | 168.4 | -173.3 | 0 | 0 | 114.7 | K1601 | E1597-K1601 PolarHBondContact O-N 3.39Å |
| 1598 | A | 41.9 | Very low | 35.4 | Very low | 68 Ų | 68 | 128.2 Ų | 128.2 | 56% | 0.562 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -67.8 | -36.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1596 | S1596-A1598 PolarHBondContact O-N 3.31Å |
| 1599 | I | 40.8 | Very low | 35.5 | Very low | 77 Ų | 77 | 132 Ų | 132 | 40% | 0.395 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -78.4 | -31.9 | -179.4 | -64.5 | 173.2 | 0 | 0 | 0 | 111 | L1595 S1596 K1601 Q1602 Q1603 | L1595-I1599 HydrophobicContact CD2-CD1 3.75Å; S1596-I1599 PolarHBondContact O-N 3.33Å; I1599-K1601 VanDerWaalsContact C-N 3.29Å; I1599-K1601 PolarHBondContact O-N 3.02Å; I1599-Q1602 PolarHBondContact O-N 2.82Å; I1599-Q1602 VanDerWaalsContact O-N 3.14Å; I1599-Q1603 PolarHBondContact O-N 2.97Å |
| 1600 | L | 37.1 | Very low | 35.6 | Very low | 96 Ų | 96 | 132.4 Ų | 132.4 | 50% | 0.503 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -62.9 | -34.5 | 174.5 | -92.9 | 154.6 | 0 | 0 | 0 | 112.3 | W1604 | L1600-W1604 PolarHBondContact O-N 3.21Å |
| 1601 | K | 37.8 | Very low | 35.8 | Very low | 173 Ų | 173 | 128.8 Ų | 128.8 | 75% | 0.752 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -67.6 | -34.7 | 172.6 | -86.6 | -177.5 | 175.9 | 174.8 | 0 | 113.3 | E1597 I1599 | E1597-K1601 PolarHBondContact O-N 3.39Å; I1599-K1601 VanDerWaalsContact C-N 3.29Å; I1599-K1601 PolarHBondContact O-N 3.02Å |
| 1602 | Q | 37.6 | Very low | 35.9 | Very low | 155 Ų | 155 | 124.6 Ų | 124.6 | 72% | 0.724 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -77.5 | -30.7 | 178.3 | -91.7 | -176 | -14.9 | 0 | 0 | 113.8 | I1599 | I1599-Q1602 PolarHBondContact O-N 2.82Å; I1599-Q1602 VanDerWaalsContact O-N 3.14Å |
| 1603 | Q | 33.9 | Very low | 35.8 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 68% | 0.678 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -81.4 | -13.1 | 179 | -82.7 | -174.1 | -21.3 | 0 | 0 | 114.4 | I1599 | I1599-Q1603 PolarHBondContact O-N 2.97Å |
| 1604 | W | 27.7 | Very low | 35.6 | Very low | 173 Ų | 173 | 118.3 Ų | 118.3 | 66% | 0.655 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -3.3 | -175.3 | -86.6 | 42.3 | 0 | 0 | 0 | 115.6 | L1600 W1606 S1607 | L1600-W1604 PolarHBondContact O-N 3.21Å; W1604-W1606 PolarHBondContact O-N 3.1Å; W1604-W1606 VanDerWaalsContact O-N 3.14Å; W1604-S1607 PolarHBondContact O-N 2.93Å; W1604-S1607 VanDerWaalsContact O-N 3.13Å; W1604-S1607 PolarHBondContact O-OG 2.88Å |
| 1605 | E | 34.4 | Very low | 35.4 | Very low | 143 Ų | 143 | 114.1 Ų | 114.1 | 67% | 0.668 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.2 | -20.8 | 179.7 | -73.6 | -169.1 | 156.3 | 0 | 0 | 113.9 | S1607 | E1605-S1607 VanDerWaalsContact C-N 3.31Å; E1605-S1607 PolarHBondContact O-N 3.13Å |
| 1606 | W | 27.5 | Very low | 35.9 | Very low | 210 Ų | 210 | 108.5 Ų | 108.5 | 80% | 0.795 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71.4 | -21.4 | 176.4 | -77.3 | 79.2 | 0 | 0 | 0 | 114.1 | W1604 | W1604-W1606 PolarHBondContact O-N 3.1Å; W1604-W1606 VanDerWaalsContact O-N 3.14Å |
| 1607 | S | 39.5 | Very low | 35.7 | Very low | 56 Ų | 56 | 107.2 Ų | 107.2 | 39% | 0.392 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -86.5 | -32.1 | -177.8 | 66.3 | 0 | 0 | 0 | 0 | 113.2 | W1604 E1605 V1611 | W1604-S1607 PolarHBondContact O-N 2.93Å; W1604-S1607 VanDerWaalsContact O-N 3.13Å; W1604-S1607 PolarHBondContact O-OG 2.88Å; E1605-S1607 VanDerWaalsContact C-N 3.31Å; E1605-S1607 PolarHBondContact O-N 3.13Å; S1607-V1611 VanDerWaalsContact O-CB 3.32Å; S1607-V1611 WeakPolarHBondContact O-CB 3.45Å; S1607-V1611 WeakPolarHBondContact O-CG2 3.29Å; S1607-V1611 PolarHBondContact O-N 3.21Å; S1607-V1611 VanDerWaalsContact O-N 3.11Å |
| 1608 | Q | 34.7 | Very low | 35.6 | Very low | 157 Ų | 157 | 100.1 Ų | 100.1 | 73% | 0.734 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -75.8 | -27.1 | 179.8 | -71.9 | -162.2 | -7 | 0 | 0 | 113.3 | G1612 | Q1608-G1612 VanDerWaalsContact O-CA 3.29Å; Q1608-G1612 WeakPolarHBondContact O-CA 3.37Å; Q1608-G1612 PolarHBondContact O-N 3.44Å |
| 1609 | Q | 37.5 | Very low | 35.3 | Very low | 137 Ų | 137 | 102.4 Ų | 102.4 | 64% | 0.64 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -71.9 | -36.8 | 177.8 | -76.4 | -175 | -11.8 | 0 | 0 | 112.8 | H1613 | Q1609-H1613 PolarHBondContact O-CD2 2.89Å |
| 1610 | L | 35.8 | Very low | 35.2 | Very low | 127 Ų | 127 | 100.9 Ų | 100.9 | 67% | 0.665 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -81 | -38.1 | 175.7 | -90.6 | 151.1 | 0 | 0 | 0 | 112.8 | G1612 | L1610-G1612 VanDerWaalsContact C-N 3.31Å |
| 1611 | V | 35.8 | Very low | 35.3 | Very low | 47 Ų | 47 | 100.5 Ų | 100.5 | 29% | 0.285 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -74.1 | -25.4 | 176.7 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | S1607 H1613 L1614 R1619 | S1607-V1611 VanDerWaalsContact O-CB 3.32Å; S1607-V1611 WeakPolarHBondContact O-CB 3.45Å; S1607-V1611 WeakPolarHBondContact O-CG2 3.29Å; S1607-V1611 PolarHBondContact O-N 3.21Å; S1607-V1611 VanDerWaalsContact O-N 3.11Å; V1611-H1613 PolarHBondContact O-N 2.91Å; V1611-H1613 VanDerWaalsContact O-N 3.13Å; V1611-L1614 PolarHBondContact O-N 3.09Å; V1611-R1619 HydrophobicContact CG1-CG 4.33Å; V1611-R1619 PolarHBondContact O-NE 3.16Å |
| 1612 | G | 34.6 | Very low | 35.2 | Very low | 32 Ų | 32 | 95.3 Ų | 95.3 | 33% | 0.33 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -19.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q1608 L1610 R1619 | Q1608-G1612 VanDerWaalsContact O-CA 3.29Å; Q1608-G1612 WeakPolarHBondContact O-CA 3.37Å; Q1608-G1612 PolarHBondContact O-N 3.44Å; L1610-G1612 VanDerWaalsContact C-N 3.31Å; G1612-R1619 PolarHBondContact O-NH2 3.39Å |
| 1613 | H | 34.5 | Very low | 35.1 | Very low | 160 Ų | 160 | 90.4 Ų | 90.4 | 74% | 0.741 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112 | -0.1 | -179.4 | -63.4 | -62.3 | 0 | 0 | 0 | 114.5 | Q1609 V1611 | Q1609-H1613 PolarHBondContact O-CD2 2.89Å; V1611-H1613 PolarHBondContact O-N 2.91Å; V1611-H1613 VanDerWaalsContact O-N 3.13Å |
| 1614 | L | 31.6 | Very low | 35.1 | Very low | 36 Ų | 36 | 88.7 Ų | 88.7 | 19% | 0.188 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -73.3 | 132.6 | 166.4 | -73.6 | 168.9 | 0 | 0 | 0 | 108.8 | V1611 R1619 Y1622 | V1611-L1614 PolarHBondContact O-N 3.09Å; L1614-R1619 PolarHBondContact O-NE 3.01Å; L1614-Y1622 HydrophobicContact CD1-CE2 4.39Å |
| 1615 | P | 33.2 | Very low | 35.6 | Very low | 20 Ų | 20 | 85.5 Ų | 85.5 | 13% | 0.13 | 43% | 0.427 | C | S | . | . | trans | -46.7 | 146.6 | 171.6 | -25.9 | 30.1 | 0 | 0 | 0 | 111.4 | I1039 R1533 D1617 S1618 R1619 | I1039-P1615 HydrophobicContact CD1-CB 4.27Å; R1533-P1615 HydrophobicContact CG-CG 4.34Å; R1533-P1615 WeakPolarHBondContact O-CG 3.1Å; P1615-D1617 PolarHBondContact O-N 3Å; P1615-S1618 WeakPolarHBondContact CD-OG 3.21Å; P1615-S1618 PolarHBondContact O-N 3.41Å; P1615-S1618 PolarHBondContact O-OG 3.09Å; P1615-R1619 PolarHBondContact O-N 3.28Å | ||
| 1616 | S | 38 | Very low | 35.7 | Very low | 17 Ų | 17 | 80.7 Ų | 80.7 | 12% | 0.119 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -52.1 | -31.5 | -179.2 | 61 | 0 | 0 | 0 | 0 | 113.2 | N1037 R1619 I1620 | N1037-S1616 WeakPolarHBondContact CB-OG 3.48Å; N1037-S1616 PolarHBondContact ND2-OG 3.18Å; S1616-R1619 CarbonylContact O-C 3.55Å; S1616-R1619 WeakPolarHBondContact O-CA 3.46Å; S1616-R1619 VanDerWaalsContact O-CB 3.31Å; S1616-R1619 WeakPolarHBondContact O-CB 3.19Å; S1616-R1619 PolarHBondContact O-N 3.23Å; S1616-R1619 VanDerWaalsContact O-N 3.1Å; S1616-I1620 VanDerWaalsContact O-CG1 3.25Å; S1616-I1620 WeakPolarHBondContact O-CG1 3.13Å; S1616-I1620 PolarHBondContact O-N 2.94Å |
| 1617 | D | 37.1 | Very low | 36 | Very low | 56 Ų | 56 | 75.6 Ų | 75.6 | 30% | 0.299 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 176.1 | -57.9 | -46.4 | 0 | 0 | 0 | 112.8 | P1615 R1619 I1620 V1621 | P1615-D1617 PolarHBondContact O-N 3Å; D1617-R1619 VanDerWaalsContact C-N 3.32Å; D1617-I1620 PolarHBondContact O-N 3.44Å; D1617-I1620 VanDerWaalsContact O-N 3.17Å; D1617-V1621 WeakPolarHBondContact O-CG2 2.92Å; D1617-V1621 PolarHBondContact O-N 2.67Å |
| 1618 | S | 37.5 | Very low | 35.8 | Very low | 18 Ų | 18 | 77.6 Ų | 77.6 | 13% | 0.126 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -73.3 | -25.2 | 172.1 | 31.1 | 0 | 0 | 0 | 0 | 112 | P1615 Y1622 | P1615-S1618 WeakPolarHBondContact CD-OG 3.21Å; P1615-S1618 PolarHBondContact O-N 3.41Å; P1615-S1618 PolarHBondContact O-OG 3.09Å; S1618-Y1622 WeakPolarHBondContact O-CB 3.25Å; S1618-Y1622 PolarHBondContact O-N 2.94Å |
| 1619 | R | 35.3 | Very low | 35.9 | Very low | 116 Ų | 116 | 77.2 Ų | 77.2 | 44% | 0.438 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68.6 | -33.5 | 165.4 | -60 | -174.5 | -169 | 170.2 | 5 | 112.6 | V1611 G1612 L1614 P1615 S1616 D1617 Y1622 S1623 | V1611-R1619 HydrophobicContact CG1-CG 4.33Å; V1611-R1619 PolarHBondContact O-NE 3.16Å; G1612-R1619 PolarHBondContact O-NH2 3.39Å; L1614-R1619 PolarHBondContact O-NE 3.01Å; P1615-R1619 PolarHBondContact O-N 3.28Å; S1616-R1619 CarbonylContact O-C 3.55Å; S1616-R1619 WeakPolarHBondContact O-CA 3.46Å; S1616-R1619 VanDerWaalsContact O-CB 3.31Å; S1616-R1619 WeakPolarHBondContact O-CB 3.19Å; S1616-R1619 PolarHBondContact O-N 3.23Å; S1616-R1619 VanDerWaalsContact O-N 3.1Å; D1617-R1619 VanDerWaalsContact C-N 3.32Å; R1619-Y1622 CarbonylContact O-C 3.5Å; R1619-Y1622 WeakPolarHBondContact O-CB 3.38Å; R1619-Y1622 PolarHBondContact O-N 3.09Å; R1619-S1623 WeakPolarHBondContact O-CB 3.15Å; R1619-S1623 PolarHBondContact O-N 3.16Å; R1619-S1623 PolarHBondContact O-OG 3.19Å |
| 1620 | I | 38.5 | Very low | 35.5 | Very low | 44 Ų | 44 | 82.6 Ų | 82.6 | 23% | 0.226 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -72.9 | -39.3 | 177.3 | -69.4 | 163.6 | 0 | 0 | 0 | 110.2 | S1616 D1617 Y1622 S1623 H1624 | S1616-I1620 VanDerWaalsContact O-CG1 3.25Å; S1616-I1620 WeakPolarHBondContact O-CG1 3.13Å; S1616-I1620 PolarHBondContact O-N 2.94Å; D1617-I1620 PolarHBondContact O-N 3.44Å; D1617-I1620 VanDerWaalsContact O-N 3.17Å; I1620-Y1622 VanDerWaalsContact C-N 3.31Å; I1620-S1623 WeakPolarHBondContact CA-OG 3.43Å; I1620-S1623 PolarHBondContact O-N 2.74Å; I1620-S1623 PolarHBondContact O-OG 3.14Å; I1620-H1624 VanDerWaalsContact O-CB 3.3Å; I1620-H1624 WeakPolarHBondContact O-CB 2.98Å; I1620-H1624 PolarHBondContact O-N 2.94Å |
| 1621 | V | 39.8 | Very low | 35.5 | Very low | 89 Ų | 89 | 80.4 Ų | 80.4 | 54% | 0.539 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 169.5 | 176 | 0 | 0 | 0 | 0 | 110 | D1617 I1625 | D1617-V1621 WeakPolarHBondContact O-CG2 2.92Å; D1617-V1621 PolarHBondContact O-N 2.67Å; V1621-I1625 HydrophobicContact CG1-CD1 3.66Å; V1621-I1625 HydrophobicContact CG1-CG1 4.35Å; V1621-I1625 VanDerWaalsContact O-CB 3.32Å; V1621-I1625 WeakPolarHBondContact O-CB 3.48Å; V1621-I1625 WeakPolarHBondContact O-CD1 3.08Å; V1621-I1625 WeakPolarHBondContact O-CG1 3.37Å; V1621-I1625 PolarHBondContact O-N 3.32Å |
| 1622 | Y | 34.4 | Very low | 35.5 | Very low | 63 Ų | 63 | 82.1 Ų | 82.1 | 25% | 0.247 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 171.4 | -112 | -91.2 | 0 | 0 | 0 | 112.3 | L1579 L1614 S1618 R1619 I1620 I1625 V1626 | L1579-Y1622 HydrophobicContact CD2-CE2 3.91Å; L1614-Y1622 HydrophobicContact CD1-CE2 4.39Å; S1618-Y1622 WeakPolarHBondContact O-CB 3.25Å; S1618-Y1622 PolarHBondContact O-N 2.94Å; R1619-Y1622 CarbonylContact O-C 3.5Å; R1619-Y1622 WeakPolarHBondContact O-CB 3.38Å; R1619-Y1622 PolarHBondContact O-N 3.09Å; I1620-Y1622 VanDerWaalsContact C-N 3.31Å; Y1622-I1625 PolarHBondContact O-N 3.37Å; Y1622-V1626 WeakPolarHBondContact O-CB 3.43Å; Y1622-V1626 WeakPolarHBondContact O-CG2 3.36Å; Y1622-V1626 PolarHBondContact O-N 2.88Å |
| 1623 | S | 35.5 | Very low | 35.5 | Very low | 52 Ų | 52 | 84.9 Ų | 84.9 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -73.6 | -34 | -177.1 | 73.4 | 0 | 0 | 0 | 0 | 112 | R1619 I1620 V1626 N1627 | R1619-S1623 WeakPolarHBondContact O-CB 3.15Å; R1619-S1623 PolarHBondContact O-N 3.16Å; R1619-S1623 PolarHBondContact O-OG 3.19Å; I1620-S1623 WeakPolarHBondContact CA-OG 3.43Å; I1620-S1623 PolarHBondContact O-N 2.74Å; I1620-S1623 PolarHBondContact O-OG 3.14Å; S1623-V1626 CarbonylContact O-C 3.54Å; S1623-V1626 PolarHBondContact O-N 3.47Å; S1623-N1627 WeakPolarHBondContact O-CB 3.13Å; S1623-N1627 PolarHBondContact O-N 3.3Å |
| 1624 | H | 33.9 | Very low | 35.6 | Very low | 109 Ų | 109 | 80.5 Ų | 80.5 | 51% | 0.505 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -71.3 | -38.5 | 172.7 | -95.2 | -73.5 | 0 | 0 | 0 | 112.2 | I1620 V1626 N1627 C1628 | I1620-H1624 VanDerWaalsContact O-CB 3.3Å; I1620-H1624 WeakPolarHBondContact O-CB 2.98Å; I1620-H1624 PolarHBondContact O-N 2.94Å; H1624-V1626 PolarHBondContact O-N 2.97Å; H1624-N1627 PolarHBondContact O-N 2.94Å; H1624-C1628 VanDerWaalsContact O-CB 3.23Å; H1624-C1628 WeakPolarHBondContact O-CB 3.45Å; H1624-C1628 PolarHBondContact O-N 2.82Å; H1624-C1628 PolarHBondContact O-SG 3.21Å |
| 1625 | I | 38.1 | Very low | 35.9 | Very low | 106 Ų | 106 | 83.3 Ų | 83.3 | 54% | 0.544 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.1 | -34 | 172.2 | -68.5 | 169 | 0 | 0 | 0 | 110.3 | V1621 Y1622 | V1621-I1625 HydrophobicContact CG1-CD1 3.66Å; V1621-I1625 HydrophobicContact CG1-CG1 4.35Å; V1621-I1625 VanDerWaalsContact O-CB 3.32Å; V1621-I1625 WeakPolarHBondContact O-CB 3.48Å; V1621-I1625 WeakPolarHBondContact O-CD1 3.08Å; V1621-I1625 WeakPolarHBondContact O-CG1 3.37Å; V1621-I1625 PolarHBondContact O-N 3.32Å; Y1622-I1625 PolarHBondContact O-N 3.37Å |
| 1626 | V | 36.6 | Very low | 36 | Very low | 42 Ų | 42 | 87.5 Ų | 87.5 | 26% | 0.255 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -75 | -38.2 | 174.9 | 175.4 | 0 | 0 | 0 | 0 | 112.6 | Y1622 S1623 H1624 | Y1622-V1626 WeakPolarHBondContact O-CB 3.43Å; Y1622-V1626 WeakPolarHBondContact O-CG2 3.36Å; Y1622-V1626 PolarHBondContact O-N 2.88Å; S1623-V1626 CarbonylContact O-C 3.54Å; S1623-V1626 PolarHBondContact O-N 3.47Å; H1624-V1626 PolarHBondContact O-N 2.97Å |
| 1627 | N | 34.3 | Very low | 35.9 | Very low | 103 Ų | 103 | 92.5 Ų | 92.5 | 55% | 0.551 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -86.3 | -23.6 | -176.9 | -81.7 | -8.4 | 0 | 0 | 0 | 114.1 | S1623 H1624 Q1629 Y1630 | S1623-N1627 WeakPolarHBondContact O-CB 3.13Å; S1623-N1627 PolarHBondContact O-N 3.3Å; H1624-N1627 PolarHBondContact O-N 2.94Å; N1627-Q1629 PolarHBondContact O-N 2.8Å; N1627-Y1630 PolarHBondContact O-N 2.99Å |
| 1628 | C | 35.4 | Very low | 35.8 | Very low | 99 Ų | 99 | 95.3 Ų | 95.3 | 67% | 0.669 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -79.4 | -4.7 | 171.8 | -71.7 | 0 | 0 | 0 | 0 | 112.7 | H1624 | H1624-C1628 VanDerWaalsContact O-CB 3.23Å; H1624-C1628 WeakPolarHBondContact O-CB 3.45Å; H1624-C1628 PolarHBondContact O-N 2.82Å; H1624-C1628 PolarHBondContact O-SG 3.21Å |
| 1629 | Q | 37.4 | Very low | 35.7 | Very low | 149 Ų | 149 | 101.8 Ų | 101.8 | 70% | 0.696 | 50% | 0.501 | S | S | * | . | trans | -104.3 | -5.3 | 168.5 | -82.4 | -168.6 | -29.9 | 0 | 0 | 113.8 | N1627 | N1627-Q1629 PolarHBondContact O-N 2.8Š| ||
| 1630 | Y | 28.7 | Very low | 35.7 | Very low | 249 Ų | 249 | 100.5 Ų | 100.5 | 98% | 0.976 | 51% | 0.506 | S | S | * | . | trans | -90.7 | 0 | 158.4 | -97.1 | -81.7 | 0 | 0 | 0 | 108.9 | N1627 | N1627-Y1630 PolarHBondContact O-N 2.99Š|
Retrieved 1,630 of 1,630 residues in 2200.1 ms
(Link to these results)