| 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 | 35.2 | Very low | 27.9 | Very low | 247 Ų | 247 | 165.5 Ų | 165.5 | 100% | 1.217 | 81% | 0.806 | S | S | * | * | 0 | 118.6 | 0 | -79.6 | 178.3 | 163.8 | 0 | 0 | 109 | |||||
| 2 | S | 31.7 | Very low | 27.9 | Very low | 118 Ų | 118 | 166.4 Ų | 166.4 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -174.6 | 116.4 | 154.7 | -173.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 3 | N | 27.1 | Very low | 28.1 | Very low | 145 Ų | 145 | 166.7 Ų | 166.7 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | trans | -92.5 | 133.4 | -177.3 | -72.4 | -8 | 0 | 0 | 0 | 110.4 | ||||
| 4 | R | 29 | Very low | 28.1 | Very low | 243 Ų | 243 | 163.1 Ų | 163.1 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -128.8 | 98.9 | 153.5 | -79 | -168.1 | 169.9 | -168.7 | -2.9 | 109.3 | V6 | R4-V6 PolarHBondContact O-N 3.36Š| ||
| 5 | L | 26.3 | Very low | 28.4 | Very low | 136 Ų | 136 | 161.4 Ų | 161.4 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | trans | -64.5 | 128.1 | 160.6 | -82.1 | 84.4 | 0 | 0 | 0 | 108 | ||||
| 6 | V | 28.2 | Very low | 28.6 | Very low | 123 Ų | 123 | 160.6 Ų | 160.6 | 75% | 0.745 | 79% | 0.792 | S | S | * | * | trans | -88.1 | 112.9 | 160.7 | 177.7 | 0 | 0 | 0 | 0 | 106.8 | R4 F8 | R4-V6 PolarHBondContact O-N 3.36Å; V6-F8 PolarHBondContact O-N 3.48Å; V6-F8 VanDerWaalsContact O-N 3.17Å | ||
| 7 | F | 24.3 | Very low | 29 | Very low | 172 Ų | 172 | 161.2 Ų | 161.2 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | trans | -71.6 | 105.7 | 176.3 | -92.4 | -97.7 | 0 | 0 | 0 | 110.3 | I9 | F7-I9 HydrophobicContact CB-CG1 4.48Å; F7-I9 PolarHBondContact O-N 2.81Å | ||
| 8 | F | 27.1 | Very low | 29.1 | Very low | 179 Ų | 179 | 163.7 Ų | 163.7 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -74.7 | 103.2 | 159 | -91 | -87.1 | 0 | 0 | 0 | 108.9 | V6 L10 | V6-F8 PolarHBondContact O-N 3.48Å; V6-F8 VanDerWaalsContact O-N 3.17Å; F8-L10 PolarHBondContact O-N 3.4Å; F8-L10 VanDerWaalsContact O-N 3.13Å | ||
| 9 | I | 25.2 | Very low | 29.2 | Very low | 125 Ų | 125 | 162.8 Ų | 162.8 | 64% | 0.641 | 80% | 0.795 | S | S | * | * | trans | -81.2 | 90.5 | 173.3 | -55.5 | -179.9 | 0 | 0 | 0 | 108.6 | F7 Y11 | F7-I9 HydrophobicContact CB-CG1 4.48Å; F7-I9 PolarHBondContact O-N 2.81Å; I9-Y11 HydrophobicContact CG2-CD2 3.71Å; I9-Y11 HydrophobicContact CG2-CE2 3.45Å; I9-Y11 VanDerWaalsContact CG2-CE2 3.45Å; I9-Y11 PolarHBondContact O-N 3.38Å | ||
| 10 | L | 25.8 | Very low | 29.2 | Very low | 147 Ų | 147 | 160.6 Ų | 160.6 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | -80.1 | 100.8 | 171.2 | -89.9 | 153.9 | 0 | 0 | 0 | 110 | F8 Q12 | F8-L10 PolarHBondContact O-N 3.4Å; F8-L10 VanDerWaalsContact O-N 3.13Å; L10-Q12 PolarHBondContact O-N 3.48Å | ||
| 11 | Y | 27.1 | Very low | 29.3 | Very low | 185 Ų | 185 | 161.5 Ų | 161.5 | 73% | 0.725 | 79% | 0.786 | S | S | * | * | trans | -82.8 | 106.5 | 166.6 | -84.5 | -72.3 | 0 | 0 | 0 | 110.5 | I9 F13 | I9-Y11 HydrophobicContact CG2-CD2 3.71Å; I9-Y11 HydrophobicContact CG2-CE2 3.45Å; I9-Y11 VanDerWaalsContact CG2-CE2 3.45Å; I9-Y11 PolarHBondContact O-N 3.38Å; Y11-F13 AromaticContact CD1-CE2 3.89Å; Y11-F13 HydrophobicContact CD1-CE2 3.89Å; Y11-F13 HydrophobicContact CG-CE2 4.25Å; Y11-F13 PolarHBondContact O-N 3.07Å | ||
| 12 | Q | 27.9 | Very low | 29 | Very low | 177 Ų | 177 | 155.8 Ų | 155.8 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | trans | -84.6 | 106.3 | 172.1 | -177.3 | 178 | -4.6 | 0 | 0 | 110 | L10 | L10-Q12 PolarHBondContact O-N 3.48Š| ||
| 13 | F | 30.7 | Very low | 29.4 | Very low | 170 Ų | 170 | 153.7 Ų | 153.7 | 75% | 0.746 | 75% | 0.748 | S | S | * | * | trans | -115.6 | 128.2 | 168 | -78.2 | -80.9 | 0 | 0 | 0 | 110.3 | Y11 | Y11-F13 AromaticContact CD1-CE2 3.89Å; Y11-F13 HydrophobicContact CD1-CE2 3.89Å; Y11-F13 HydrophobicContact CG-CE2 4.25Å; Y11-F13 PolarHBondContact O-N 3.07Å | ||
| 14 | T | 27.9 | Very low | 29.9 | Very low | 116 Ų | 116 | 150.7 Ų | 150.7 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | trans | -101.5 | 114.7 | 174.6 | 50.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 15 | L | 31.9 | Very low | 30.9 | Very low | 138 Ų | 138 | 146.2 Ų | 146.2 | 72% | 0.723 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -114.4 | 136 | 154.2 | -82.7 | 103.6 | 0 | 0 | 0 | 108.9 | N17 | L15-N17 VanDerWaalsContact C-N 3.35Å; L15-N17 PolarHBondContact O-N 3.4Å; L15-N17 VanDerWaalsContact O-N 3.11Å |
| 16 | D | 32.5 | Very low | 32.4 | Very low | 149 Ų | 149 | 144.6 Ų | 144.6 | 80% | 0.797 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 43.1 | 48.3 | 167.9 | -57 | -17.4 | 0 | 0 | 0 | 116.5 | R18 | D16-R18 PolarHBondContact O-N 2.91Š|
| 17 | N | 35 | Very low | 34.7 | Very low | 170 Ų | 170 | 139.1 Ų | 139.1 | 91% | 0.909 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 54.5 | 24.8 | 169.6 | -77.2 | -12.2 | 0 | 0 | 0 | 116.4 | L15 | L15-N17 VanDerWaalsContact C-N 3.35Å; L15-N17 PolarHBondContact O-N 3.4Å; L15-N17 VanDerWaalsContact O-N 3.11Å |
| 18 | R | 31.3 | Very low | 37 | Very low | 207 Ų | 207 | 135.8 Ų | 135.8 | 78% | 0.781 | 68% | 0.683 | S | S | * | * | trans | -117.9 | 124.1 | 173.6 | -66.9 | -174.1 | -179 | -161.5 | 0.1 | 111.5 | D16 V20 | D16-R18 PolarHBondContact O-N 2.91Å; R18-V20 PolarHBondContact O-N 3.2Å | ||
| 19 | I | 30.9 | Very low | 39.1 | Very low | 146 Ų | 146 | 127.5 Ų | 127.5 | 75% | 0.749 | 65% | 0.646 | S | S | * | * | trans | -77.7 | 111.1 | 173.3 | -56.7 | 174.5 | 0 | 0 | 0 | 108.1 | W21 | I19-W21 HydrophobicContact CG2-CZ2 4.4Š| ||
| 20 | V | 28.4 | Very low | 41.3 | Very low | 119 Ų | 119 | 122 Ų | 122 | 72% | 0.721 | 62% | 0.618 | S | S | * | * | trans | -102.6 | 115.6 | 172.8 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | R18 T22 | R18-V20 PolarHBondContact O-N 3.2Å; V20-T22 HydrophobicContact CG1-CG2 4.2Å | ||
| 21 | W | 31.7 | Very low | 43.1 | Very low | 180 Ų | 180 | 119.2 Ų | 119.2 | 68% | 0.682 | 61% | 0.611 | S | S | * | * | trans | -87.8 | 116 | 176.2 | -63.9 | 89.9 | 0 | 0 | 0 | 110.3 | I19 | I19-W21 HydrophobicContact CG2-CZ2 4.4Š| ||
| 22 | T | 29 | Very low | 44.8 | Very low | 126 Ų | 126 | 112.3 Ų | 112.3 | 77% | 0.773 | 59% | 0.585 | S | S | * | * | trans | -110 | 69 | 172.8 | 62.7 | 0 | 0 | 0 | 0 | 111.5 | V20 | V20-T22 HydrophobicContact CG1-CG2 4.2Š| ||
| 23 | T | 39.6 | Very low | 46.4 | Very low | 75 Ų | 75 | 104 Ų | 104 | 46% | 0.46 | 55% | 0.547 | S | S | . | . | trans | -81.2 | 118.3 | 163.3 | 48.4 | 0 | 0 | 0 | 0 | 108.9 | Q25 | T23-Q25 VanDerWaalsContact C-N 3.26Å; T23-Q25 PolarHBondContact O-N 2.9Å | ||
| 24 | G | 37.6 | Very low | 47.5 | Very low | 81 Ų | 81 | 98.8 Ų | 98.8 | 84% | 0.835 | 52% | 0.524 | S | S | * | . | trans | -69.1 | 80.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 25 | Q | 50.3 | Low | 48.5 | Very low | 150 Ų | 150 | 101.1 Ų | 101.1 | 70% | 0.701 | 53% | 0.527 | S | S | * | . | trans | -89.7 | 118.4 | 166 | -72.3 | -172.1 | -22.7 | 0 | 0 | 108.6 | T23 C27 | T23-Q25 VanDerWaalsContact C-N 3.26Å; T23-Q25 PolarHBondContact O-N 2.9Å; Q25-C27 PolarHBondContact O-N 3.42Å; Q25-C27 VanDerWaalsContact O-N 3.11Å | ||
| 26 | N | 58.4 | Low | 49.2 | Very low | 102 Ų | 102 | 95.4 Ų | 95.4 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | trans | -59.8 | 112.8 | 178.7 | -76 | 7.3 | 0 | 0 | 0 | 110.1 | Y28 | N26-Y28 HydrophobicContact CB-CD2 4.1Å; N26-Y28 HydrophobicContact CB-CE2 3.35Å; N26-Y28 PolarHBondContact ND2-OH 2.75Å; N26-Y28 WeakPolarHBondContact O-CD2 3.29Å; N26-Y28 PolarHBondContact O-N 3.17Å | ||
| 27 | C | 75.1 | Confident | 49.7 | Very low | 8 Ų | 8 | 95.3 Ų | 95.3 | 5% | 0.054 | 49% | 0.493 | C | S | . | . | trans | -78.6 | 106.1 | -176.8 | -171.8 | 0 | 0 | 0 | 0 | 109.9 | Q25 H105 C193 W195 | Q25-C27 PolarHBondContact O-N 3.42Å; Q25-C27 VanDerWaalsContact O-N 3.11Å; C27-H105 PolarHBondContact O-CE1 3.47Å; C27-H105 PolarHBondContact O-ND1 2.88Å; C27-C193 HydrophobicContact CB-CB 3.62Å; C27-C193 WeakPolarHBondContact CB-O 3.4Å; C27-C193 WeakPolarHBondContact CB-SG 3.37Å; C27-C193 VanDerWaalsContact O-CB 3.29Å; C27-C193 WeakPolarHBondContact O-CB 3.48Å; C27-C193 PolarHBondContact O-SG 2.71Å; C27-C193 VanDerWaalsContact SG-CA 3.57Å; C27-C193 WeakPolarHBondContact SG-CB 3.42Å; C27-C193 CovalentContact SG-SG 2.04Å; C27-C193 PolarHBondContact SG-SG 2.93Å; C27-W195 PolarHBondContact SG-N 2.69Å; C27-W195 VanDerWaalsContact SG-N 3.39Å | ||
| 28 | Y | 72.9 | Confident | 50.4 | Low | 102 Ų | 102 | 89.7 Ų | 89.7 | 40% | 0.4 | 46% | 0.461 | S | S | . | . | trans | -110 | 130.2 | -177.9 | -66.7 | -67.5 | 0 | 0 | 0 | 111.8 | N26 S104 H105 Y202 | N26-Y28 HydrophobicContact CB-CD2 4.1Å; N26-Y28 HydrophobicContact CB-CE2 3.35Å; N26-Y28 PolarHBondContact ND2-OH 2.75Å; N26-Y28 WeakPolarHBondContact O-CD2 3.29Å; N26-Y28 PolarHBondContact O-N 3.17Å; Y28-S104 WeakPolarHBondContact CD1-OG 3.46Å; Y28-H105 AromaticContact CD1-CE1 3.38Å; Y28-H105 WeakPolarHBondContact CD1-CE1 3.45Å; Y28-H105 AromaticContact CD1-ND1 3.73Å; Y28-H105 AromaticContact CD1-NE2 3.97Å; Y28-H105 AromaticContact CE1-CE1 3.04Å; Y28-H105 WeakPolarHBondContact CE1-CE1 3.32Å; Y28-H105 AromaticContact CE1-ND1 3.79Å; Y28-H105 AromaticContact CE1-NE2 3.22Å; Y28-H105 WeakPolarHBondContact CE1-NE2 3.34Å; Y28-H105 AromaticContact CZ-CE1 3.51Å; Y28-H105 AromaticContact CZ-NE2 3.67Å; Y28-Y202 WeakPolarHBondContact O-CE1 3.43Å; Y28-Y202 PolarHBondContact O-OH 2.84Å | ||
| 29 | F | 72.8 | Confident | 51.3 | Low | 4 Ų | 4 | 80 Ų | 80 | 2% | 0.018 | 43% | 0.426 | C | S | . | . | trans | -65.1 | 153 | 170.8 | -68.4 | -63 | 0 | 0 | 0 | 111.4 | H34 F100 S104 H105 A107 L191 C193 Y202 V204 I218 F220 | F29-H34 PolarHBondContact O-NE2 2.69Å; F29-F100 HydrophobicContact CB-CD1 4.04Å; F29-F100 HydrophobicContact CB-CE1 3.82Å; F29-F100 HydrophobicContact CD1-CE1 4.06Å; F29-F100 AromaticContact CD2-CD1 3.73Å; F29-F100 HydrophobicContact CD2-CD1 3.73Å; F29-F100 AromaticContact CD2-CE1 3.61Å; F29-F100 HydrophobicContact CD2-CE1 3.61Å; F29-F100 HydrophobicContact CE2-CD1 4.4Å; F29-F100 HydrophobicContact CE2-CE1 4.13Å; F29-F100 AromaticContact CG-CD1 3.99Å; F29-F100 HydrophobicContact CG-CD1 3.99Å; F29-F100 AromaticContact CG-CE1 3.56Å; F29-F100 HydrophobicContact CG-CE1 3.56Å; F29-S104 WeakPolarHBondContact CD2-O 3.39Å; F29-S104 PolarHBondContact N-O 2.74Å; F29-S104 VanDerWaalsContact N-O 3.11Å; F29-H105 WeakPolarHBondContact CE2-O 3.34Å; F29-A107 HydrophobicContact CE2-CB 4.48Å; F29-L191 HydrophobicContact CE1-CD2 4.37Å; F29-L191 HydrophobicContact CZ-CD2 3.83Å; F29-L191 HydrophobicContact CZ-CG 4.25Å; F29-C193 HydrophobicContact CD2-CB 4.4Å; F29-C193 HydrophobicContact CE1-CB 4.22Å; F29-C193 HydrophobicContact CE2-CB 3.9Å; F29-C193 HydrophobicContact CZ-CB 3.79Å; F29-Y202 HydrophobicContact CD1-CG 4.5Å; F29-V204 HydrophobicContact CE1-CG1 3.8Å; F29-V204 HydrophobicContact CZ-CG1 3.93Å; F29-I218 HydrophobicContact CE1-CD1 4.32Å; F29-F220 HydrophobicContact CD1-CE2 4.04Å; F29-F220 HydrophobicContact CD1-CZ 4.35Å; F29-F220 HydrophobicContact CE1-CE2 4.4Å | ||
| 30 | P | 69.8 | Low | 52.5 | Low | 9 Ų | 9 | 73.1 Ų | 73.1 | 6% | 0.058 | 39% | 0.39 | C | S | . | . | trans | -56 | 141.9 | -169.4 | -25.3 | 32.8 | 0 | 0 | 0 | 114.4 | F32 I33 H34 Y202 F220 | P30-F32 VanDerWaalsContact C-N 3.28Å; P30-F32 HydrophobicContact CB-CD1 3.64Å; P30-F32 HydrophobicContact CB-CE1 3.36Å; P30-F32 HydrophobicContact CB-CE2 4.46Å; P30-F32 HydrophobicContact CB-CG 4.31Å; P30-F32 HydrophobicContact CB-CZ 3.82Å; P30-F32 HydrophobicContact CG-CE1 4.02Å; P30-F32 HydrophobicContact CG-CZ 4.13Å; P30-F32 PolarHBondContact O-N 3.42Å; P30-I33 HydrophobicContact CG-CD1 4.39Å; P30-I33 WeakPolarHBondContact O-CB 3.4Å; P30-I33 PolarHBondContact O-N 2.96Å; P30-I33 VanDerWaalsContact O-N 3.09Å; P30-H34 PolarHBondContact O-CD2 2.77Å; P30-H34 PolarHBondContact O-NE2 3.43Å; P30-Y202 WeakPolarHBondContact CD-OH 3.4Å; P30-Y202 HydrophobicContact CG-CE2 3.76Å; P30-Y202 WeakPolarHBondContact CG-OH 3.34Å; P30-F220 HydrophobicContact CG-CB 4.35Å; P30-F220 HydrophobicContact CG-CD2 4.06Å; P30-F220 HydrophobicContact CG-CG 4.3Å | ||
| 31 | S | 64.8 | Low | 53.7 | Low | 89 Ų | 89 | 68.2 Ų | 68.2 | 62% | 0.622 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -57.7 | -38.4 | -179.9 | 51.3 | 0 | 0 | 0 | 0 | 113.6 | I33 H34 | S31-I33 PolarHBondContact O-N 3.21Å; S31-H34 PolarHBondContact O-N 2.98Å |
| 32 | F | 62.8 | Low | 54.7 | Low | 40 Ų | 40 | 60.2 Ų | 60.2 | 18% | 0.175 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -62.4 | -15.8 | 179.9 | 67.9 | -102.2 | 0 | 0 | 0 | 114.2 | P30 F220 V229 F232 | P30-F32 VanDerWaalsContact C-N 3.28Å; P30-F32 HydrophobicContact CB-CD1 3.64Å; P30-F32 HydrophobicContact CB-CE1 3.36Å; P30-F32 HydrophobicContact CB-CE2 4.46Å; P30-F32 HydrophobicContact CB-CG 4.31Å; P30-F32 HydrophobicContact CB-CZ 3.82Å; P30-F32 HydrophobicContact CG-CE1 4.02Å; P30-F32 HydrophobicContact CG-CZ 4.13Å; P30-F32 PolarHBondContact O-N 3.42Å; F32-F220 HydrophobicContact CZ-CB 4.11Å; F32-V229 HydrophobicContact CB-CB 4.26Å; F32-V229 HydrophobicContact CB-CG2 4.1Å; F32-V229 HydrophobicContact CD2-CB 3.67Å; F32-V229 HydrophobicContact CD2-CG1 3.72Å; F32-V229 HydrophobicContact CD2-CG2 4.04Å; F32-V229 HydrophobicContact CE2-CB 4.27Å; F32-V229 HydrophobicContact CE2-CG1 3.8Å; F32-V229 HydrophobicContact CG-CB 4.13Å; F32-V229 HydrophobicContact CG-CG2 4.03Å; F32-F232 HydrophobicContact CE2-CD1 4.38Å |
| 33 | I | 62 | Low | 55.6 | Low | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -82.8 | -27.2 | 176.6 | -88.1 | 174.3 | 0 | 0 | 0 | 112.4 | P30 S31 H35 I40 F100 F220 F232 | P30-I33 HydrophobicContact CG-CD1 4.39Å; P30-I33 WeakPolarHBondContact O-CB 3.4Å; P30-I33 PolarHBondContact O-N 2.96Å; P30-I33 VanDerWaalsContact O-N 3.09Å; S31-I33 PolarHBondContact O-N 3.21Å; I33-H35 VanDerWaalsContact C-N 3.3Å; I33-H35 PolarHBondContact O-N 3.03Å; I33-I40 HydrophobicContact CB-CD1 4.19Å; I33-I40 HydrophobicContact CD1-CD1 4.06Å; I33-I40 HydrophobicContact CG1-CD1 3.67Å; I33-I40 HydrophobicContact CG2-CD1 3.89Å; I33-F100 HydrophobicContact CD1-CZ 4.29Å; I33-F100 HydrophobicContact CG2-CD1 3.84Å; I33-F100 HydrophobicContact CG2-CD2 3.58Å; I33-F100 HydrophobicContact CG2-CE1 3.91Å; I33-F100 HydrophobicContact CG2-CE2 3.68Å; I33-F100 HydrophobicContact CG2-CG 3.67Å; I33-F100 HydrophobicContact CG2-CZ 3.84Å; I33-F220 HydrophobicContact CD1-CD1 3.45Å; I33-F220 VanDerWaalsContact CD1-CD1 3.45Å; I33-F220 HydrophobicContact CD1-CE1 3.41Å; I33-F220 VanDerWaalsContact CD1-CE1 3.41Å; I33-F220 HydrophobicContact CD1-CG 4.09Å; I33-F220 HydrophobicContact CD1-CZ 4.02Å; I33-F232 HydrophobicContact CD1-CE1 4.47Å; I33-F232 HydrophobicContact CD1-CZ 4.09Å; I33-F232 HydrophobicContact CG1-CE1 4.26Å; I33-F232 HydrophobicContact CG1-CZ 4.34Å |
| 34 | H | 53.3 | Low | 55.6 | Low | 59 Ų | 59 | 52.2 Ų | 52.2 | 27% | 0.273 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -0.3 | -172.6 | -55.5 | -47.8 | 0 | 0 | 0 | 114.1 | F29 P30 S31 S36 S104 | F29-H34 PolarHBondContact O-NE2 2.69Å; P30-H34 PolarHBondContact O-CD2 2.77Å; P30-H34 PolarHBondContact O-NE2 3.43Å; S31-H34 PolarHBondContact O-N 2.98Å; H34-S36 VanDerWaalsContact C-N 3.26Å; H34-S36 PolarHBondContact O-N 3.34Å; H34-S104 WeakPolarHBondContact NE2-CB 3.43Å |
| 35 | H | 47.9 | Very low | 55.9 | Low | 165 Ų | 165 | 49.1 Ų | 49.1 | 76% | 0.764 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | 0.7 | -176 | -67.4 | -52.8 | 0 | 0 | 0 | 115.4 | I33 | I33-H35 VanDerWaalsContact C-N 3.3Å; I33-H35 PolarHBondContact O-N 3.03Å |
| 36 | S | 46.5 | Very low | 55.1 | Low | 18 Ų | 18 | 42.1 Ų | 42.1 | 13% | 0.126 | 21% | 0.21 | C | C | . | . | trans | -118.2 | 126.3 | 162.5 | 65 | 0 | 0 | 0 | 0 | 110.1 | H34 E38 T264 | H34-S36 VanDerWaalsContact C-N 3.26Å; H34-S36 PolarHBondContact O-N 3.34Å; S36-E38 PolarHBondContact O-N 3.1Å; S36-E38 VanDerWaalsContact O-O 3.11Å; S36-E38 PolarHBondContact OG-O 3.49Å; S36-T264 PolarHBondContact OG-OG1 2.86Å | ||
| 37 | H | 43.9 | Very low | 53.9 | Low | 148 Ų | 148 | 41.2 Ų | 41.2 | 69% | 0.685 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -68.5 | 10.7 | 170 | -78.9 | -43.5 | 0 | 0 | 0 | 114.4 | ||
| 38 | E | 48.8 | Very low | 51.9 | Low | 51 Ų | 51 | 46 Ų | 46 | 24% | 0.238 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -129.8 | 171.8 | -179.9 | -58 | -168.8 | 177 | 0 | 0 | 108.4 | S36 T264 P267 | S36-E38 PolarHBondContact O-N 3.1Å; S36-E38 VanDerWaalsContact O-O 3.11Å; S36-E38 PolarHBondContact OG-O 3.49Å; E38-T264 HydrophobicContact CB-CG2 3.9Å; E38-T264 PolarHBondContact O-OG1 2.7Å; E38-P267 VanDerWaalsContact OE2-CD 3.24Å; E38-P267 WeakPolarHBondContact OE2-CD 3.3Å |
| 39 | S | 51.7 | Low | 50 | Low | 5 Ų | 5 | 44.3 Ų | 44.3 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | trans | -85.9 | 138.2 | -164.5 | 56.6 | 0 | 0 | 0 | 0 | 115.7 | W41 Q97 T264 | S39-W41 PolarHBondContact O-NE1 3.17Å; S39-Q97 VanDerWaalsContact CB-CG 3.46Å; S39-Q97 WeakPolarHBondContact OG-CG 3.26Å; S39-Q97 PolarHBondContact OG-NE2 2.93Å; S39-T264 PolarHBondContact N-OG1 3.46Å; S39-T264 WeakPolarHBondContact O-CG2 3.43Å; S39-T264 PolarHBondContact O-OG1 3.27Å | ||
| 40 | I | 55.4 | Low | 48.1 | Very low | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 142.4 | 169.4 | -46.9 | -166.7 | 0 | 0 | 0 | 110.4 | I33 M98 F100 F232 W261 I262 | I33-I40 HydrophobicContact CB-CD1 4.19Å; I33-I40 HydrophobicContact CD1-CD1 4.06Å; I33-I40 HydrophobicContact CG1-CD1 3.67Å; I33-I40 HydrophobicContact CG2-CD1 3.89Å; I40-M98 PolarHBondContact N-O 3.3Å; I40-M98 PolarHBondContact O-N 3.35Å; I40-F100 HydrophobicContact CD1-CD2 3.98Å; I40-F100 HydrophobicContact CD1-CE2 3.48Å; I40-F100 VanDerWaalsContact CD1-CE2 3.48Å; I40-F100 HydrophobicContact CD1-CZ 4.38Å; I40-F100 HydrophobicContact CG1-CD2 4.09Å; I40-F100 HydrophobicContact CG1-CE2 3.91Å; I40-F232 HydrophobicContact CD1-CE1 3.85Å; I40-F232 HydrophobicContact CD1-CZ 3.67Å; I40-F232 HydrophobicContact CG2-CE1 3.93Å; I40-F232 HydrophobicContact CG2-CZ 3.74Å; I40-W261 HydrophobicContact CB-CE3 4.41Å; I40-W261 HydrophobicContact CG2-CB 4.06Å; I40-W261 HydrophobicContact CG2-CE3 3.76Å; I40-I262 WeakPolarHBondContact CA-O 3.44Å; I40-I262 WeakPolarHBondContact CG2-O 3.38Å |
| 41 | W | 53.7 | Low | 46.4 | Very low | 16 Ų | 16 | 57.4 Ų | 57.4 | 6% | 0.061 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 133.8 | 176.3 | -63.7 | 86.7 | 0 | 0 | 0 | 112 | S39 N87 N90 L91 W95 Q97 I262 | S39-W41 PolarHBondContact O-NE1 3.17Å; W41-N87 HydrophobicContact CH2-CB 4.38Å; W41-N87 WeakPolarHBondContact CH2-O 3.45Å; W41-N87 HydrophobicContact CZ2-CB 4.06Å; W41-N90 HydrophobicContact CE3-CB 3.94Å; W41-N90 HydrophobicContact CH2-CB 4.02Å; W41-N90 HydrophobicContact CZ3-CB 3.54Å; W41-L91 HydrophobicContact CE3-CD2 4.49Å; W41-L91 HydrophobicContact CH2-CG 4.46Å; W41-L91 HydrophobicContact CZ3-CD2 3.74Å; W41-L91 HydrophobicContact CZ3-CG 3.96Å; W41-W95 HydrophobicContact CB-CE3 4.03Å; W41-W95 HydrophobicContact CB-CZ3 4.15Å; W41-W95 HydrophobicContact CD2-CE3 4.47Å; W41-W95 HydrophobicContact CE3-CB 4.3Å; W41-W95 HydrophobicContact CE3-CE3 4.12Å; W41-W95 HydrophobicContact CG-CE3 4.44Å; W41-Q97 HydrophobicContact CD2-CB 4.46Å; W41-Q97 HydrophobicContact CD2-CG 4.38Å; W41-Q97 HydrophobicContact CE3-CB 3.93Å; W41-Q97 HydrophobicContact CE3-CG 4.27Å; W41-Q97 HydrophobicContact CH2-CB 3.8Å; W41-Q97 HydrophobicContact CH2-CG 3.6Å; W41-Q97 HydrophobicContact CZ2-CB 4.34Å; W41-Q97 HydrophobicContact CZ2-CG 3.72Å; W41-Q97 HydrophobicContact CZ3-CB 3.6Å; W41-Q97 HydrophobicContact CZ3-CG 3.92Å; W41-I262 PolarHBondContact N-O 3.37Å; W41-I262 PolarHBondContact O-N 3.43Å |
| 42 | M | 52.6 | Low | 44.8 | Very low | 11 Ų | 11 | 56.4 Ų | 56.4 | 5% | 0.054 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 131.1 | 156 | -156.4 | -168.3 | 79.6 | 0 | 0 | 107.5 | D44 W95 L96 K260 W261 | M42-D44 HydrophobicContact CE-CB 4.15Å; M42-W95 WeakPolarHBondContact O-CA 3.3Å; M42-W95 WeakPolarHBondContact O-CB 3.4Å; M42-L96 HydrophobicContact CB-CB 3.99Å; M42-L96 HydrophobicContact CE-CD1 3.64Å; M42-L96 HydrophobicContact CE-CG 3.96Å; M42-L96 PolarHBondContact N-O 2.91Å; M42-L96 PolarHBondContact O-N 3.39Å; M42-L96 HydrophobicContact SD-CD1 4.04Å; M42-K260 WeakPolarHBondContact CG-O 2.97Å; M42-W261 HydrophobicContact CB-CD2 3.65Å; M42-W261 HydrophobicContact CB-CE3 3.7Å; M42-W261 HydrophobicContact CB-CG 4.37Å; M42-W261 HydrophobicContact CB-CH2 3.75Å; M42-W261 HydrophobicContact CB-CZ2 3.68Å; M42-W261 HydrophobicContact CB-CZ3 3.74Å; M42-W261 HydrophobicContact CG-CD2 3.93Å; M42-W261 HydrophobicContact CG-CE3 4.48Å; M42-W261 HydrophobicContact CG-CG 4.27Å; M42-W261 HydrophobicContact CG-CZ2 3.94Å; M42-W261 HydrophobicContact SD-CZ2 3.82Å |
| 43 | T | 47.2 | Very low | 43.2 | Very low | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | trans | -98.3 | 132.7 | 173.5 | 102.8 | 0 | 0 | 0 | 0 | 107.7 | W95 I262 L393 | T43-W95 HydrophobicContact CG2-CD2 4.35Å; T43-W95 HydrophobicContact CG2-CE3 3.91Å; T43-W95 HydrophobicContact CG2-CH2 3.26Å; T43-W95 HydrophobicContact CG2-CZ2 3.84Å; T43-W95 HydrophobicContact CG2-CZ3 3.36Å; T43-I262 HydrophobicContact CG2-CD1 3.74Å; T43-L393 HydrophobicContact CG2-CB 3.63Å; T43-L393 HydrophobicContact CG2-CD2 4.31Å; T43-L393 WeakPolarHBondContact OG1-CA 3.38Å; T43-L393 PolarHBondContact OG1-N 2.75Å; T43-L393 PolarHBondContact OG1-O 3.27Å | ||
| 44 | D | 41.2 | Very low | 41.6 | Very low | 27 Ų | 27 | 67.1 Ų | 67.1 | 14% | 0.144 | 33% | 0.333 | C | S | . | . | trans | -149.3 | 171.2 | 154.7 | -152.5 | -9.9 | 0 | 0 | 0 | 108.7 | M42 Q394 | M42-D44 HydrophobicContact CE-CB 4.15Å; D44-Q394 PolarHBondContact OD1-NE2 2.93Å | ||
| 45 | Y | 43.2 | Very low | 40.5 | Very low | 17 Ų | 17 | 71.7 Ų | 71.7 | 7% | 0.067 | 36% | 0.355 | C | S | . | . | trans | 66.1 | 95.4 | -178.9 | -43.5 | -78.5 | 0 | 0 | 0 | 114.7 | G94 H121 | Y45-G94 VanDerWaalsContact CD2-O 3.3Å; Y45-G94 WeakPolarHBondContact CD2-O 3.19Å; Y45-H121 HydrophobicContact CE1-CB 4.24Å | ||
| 46 | G | 33.3 | Very low | 39.5 | Very low | 2 Ų | 2 | 70.7 Ų | 70.7 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | trans | -62.7 | 134.9 | 142.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | S429 | G46-S429 WeakPolarHBondContact O-CB 3.48Å; G46-S429 VanDerWaalsContact O-O 3.12Å; G46-S429 PolarHBondContact O-OG 3.04Å | ||
| 47 | L | 32.9 | Very low | 38.6 | Very low | 83 Ų | 83 | 74.4 Ų | 74.4 | 44% | 0.435 | 38% | 0.381 | S | S | . | . | trans | -138.7 | 141.9 | 177.7 | -118 | 171.7 | 0 | 0 | 0 | 111.1 | N49 H115 | L47-N49 PolarHBondContact O-N 2.96Å; L47-H115 WeakPolarHBondContact CD1-CE1 3.42Å | ||
| 48 | N | 34.1 | Very low | 37.8 | Very low | 108 Ų | 108 | 74.8 Ų | 74.8 | 58% | 0.578 | 39% | 0.388 | S | S | * | . | trans | -75.3 | 109.2 | -174.7 | -90.6 | -25.3 | 0 | 0 | 0 | 112.2 | I50 K431 | N48-I50 PolarHBondContact O-N 2.95Å; N48-K431 WeakPolarHBondContact OD1-CE 3.47Å; N48-K431 PolarHBondContact OD1-NZ 3.36Å | ||
| 49 | N | 31.6 | Very low | 36.8 | Very low | 68 Ų | 68 | 79 Ų | 79 | 36% | 0.364 | 41% | 0.412 | S | S | . | . | trans | 44 | 49.5 | 134.5 | -64.4 | -8.3 | 0 | 0 | 0 | 118 | L47 H51 Q52 | L47-N49 PolarHBondContact O-N 2.96Å; N49-H51 PolarHBondContact O-N 3.41Å; N49-Q52 HydrophobicContact CB-CB 4.01Å; N49-Q52 HydrophobicContact CB-CG 3.99Å; N49-Q52 PolarHBondContact ND2-OE1 3.03Å; N49-Q52 PolarHBondContact O-N 3.1Å | ||
| 50 | I | 33.1 | Very low | 35.6 | Very low | 145 Ų | 145 | 85.1 Ų | 85.1 | 74% | 0.744 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -24.7 | 164.4 | -67.2 | 176.3 | 0 | 0 | 0 | 111.4 | N48 | N48-I50 PolarHBondContact O-N 2.95Š|
| 51 | H | 33.7 | Very low | 34.3 | Very low | 142 Ų | 142 | 89.7 Ų | 89.7 | 66% | 0.657 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -14.6 | 176.6 | -82 | -39.5 | 0 | 0 | 0 | 117.3 | N49 T54 | N49-H51 PolarHBondContact O-N 3.41Å; H51-T54 PolarHBondContact O-OG1 2.78Å |
| 52 | Q | 31.3 | Very low | 33 | Very low | 69 Ų | 69 | 96.4 Ų | 96.4 | 32% | 0.322 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -32.4 | 179.2 | -74.7 | -175 | -22.1 | 0 | 0 | 113.1 | N49 T54 Q55 Q329 | N49-Q52 HydrophobicContact CB-CB 4.01Å; N49-Q52 HydrophobicContact CB-CG 3.99Å; N49-Q52 PolarHBondContact ND2-OE1 3.03Å; N49-Q52 PolarHBondContact O-N 3.1Å; Q52-T54 PolarHBondContact O-N 2.9Å; Q52-Q55 PolarHBondContact O-N 3.39Å; Q52-Q329 VanDerWaalsContact NE2-OE1 3.14Å |
| 53 | Q | 29.1 | Very low | 31.7 | Very low | 177 Ų | 177 | 103.6 Ų | 103.6 | 83% | 0.827 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -23 | 177.5 | -74.8 | -172.5 | -30.9 | 0 | 0 | 112.8 | Q55 | Q53-Q55 VanDerWaalsContact C-N 3.29Å; Q53-Q55 PolarHBondContact O-N 2.94Å |
| 54 | T | 30.2 | Very low | 30.7 | Very low | 92 Ų | 92 | 109.9 Ų | 109.9 | 56% | 0.564 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 5 | 177.6 | 48.2 | 0 | 0 | 0 | 0 | 115.4 | H51 Q52 | H51-T54 PolarHBondContact O-OG1 2.78Å; Q52-T54 PolarHBondContact O-N 2.9Å |
| 55 | Q | 30.2 | Very low | 29.9 | Very low | 154 Ų | 154 | 115 Ų | 115 | 72% | 0.72 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.7 | -8.8 | 178.3 | -70.7 | -166.5 | -34.7 | 0 | 0 | 115.3 | Q52 Q53 | Q52-Q55 PolarHBondContact O-N 3.39Å; Q53-Q55 VanDerWaalsContact C-N 3.29Å; Q53-Q55 PolarHBondContact O-N 2.94Å |
| 56 | N | 25.8 | Very low | 29.3 | Very low | 144 Ų | 144 | 120.9 Ų | 120.9 | 77% | 0.77 | 65% | 0.651 | S | S | * | * | trans | -98.5 | 9.9 | -179.1 | -81.5 | -1 | 0 | 0 | 0 | 114.6 | N58 | N56-N58 PolarHBondContact O-N 3.08Š| ||
| 57 | S | 28.2 | Very low | 29 | Very low | 96 Ų | 96 | 129.5 Ų | 129.5 | 67% | 0.671 | 69% | 0.687 | S | S | * | * | trans | -82.2 | 85.8 | 167.4 | 59 | 0 | 0 | 0 | 0 | 110.4 | D59 | S57-D59 PolarHBondContact O-N 2.84Š| ||
| 58 | N | 27.1 | Very low | 28.8 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 83% | 0.834 | 71% | 0.706 | S | S | * | * | trans | -62.9 | 100.1 | 155.6 | -79.6 | -22.9 | 0 | 0 | 0 | 107.7 | N56 | N56-N58 PolarHBondContact O-N 3.08Š| ||
| 59 | D | 28.2 | Very low | 28.6 | Very low | 140 Ų | 140 | 133.5 Ų | 133.5 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | -172.7 | 149.6 | 123 | -102.5 | -34.1 | 0 | 0 | 0 | 115.1 | S57 | S57-D59 PolarHBondContact O-N 2.84Š| |||
| 60 | N | 26.6 | Very low | 28.6 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | trans | -5 | 134.1 | 165.9 | -61.6 | -69.9 | 0 | 0 | 0 | 121.5 | ||||
| 61 | S | 26.7 | Very low | 28.8 | Very low | 98 Ų | 98 | 128.5 Ų | 128.5 | 69% | 0.685 | 69% | 0.692 | S | S | * | * | trans | 53.4 | 94.4 | 146.4 | 59.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 62 | N | 26 | Very low | 28.5 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 83% | 0.834 | 70% | 0.696 | S | S | * | * | -172.8 | 156.6 | 95 | -97.5 | -51.3 | 0 | 0 | 0 | 113.3 | N64 | N62-N64 PolarHBondContact O-N 2.82Š| |||
| 63 | N | 26 | Very low | 28.6 | Very low | 162 Ų | 162 | 134.9 Ų | 134.9 | 87% | 0.866 | 71% | 0.714 | S | S | * | * | trans | -67.7 | 108.2 | 168.1 | -79.3 | -29.8 | 0 | 0 | 0 | 110 | ||||
| 64 | N | 25.4 | Very low | 29 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 74% | 0.738 | 72% | 0.715 | S | S | * | * | trans | -162 | 111.8 | 153.8 | -106.5 | -43.3 | 0 | 0 | 0 | 113 | N62 V66 | N62-N64 PolarHBondContact O-N 2.82Å; N64-V66 PolarHBondContact O-N 3.31Å | ||
| 65 | N | 26.1 | Very low | 29.7 | Very low | 135 Ų | 135 | 131 Ų | 131 | 72% | 0.722 | 71% | 0.705 | S | S | * | * | trans | 37.4 | 70.6 | 145.6 | -62.8 | -42 | 0 | 0 | 0 | 118 | K67 | N65-K67 PolarHBondContact O-N 3.44Š| ||
| 66 | V | 29.2 | Very low | 30.7 | Very low | 141 Ų | 141 | 131.6 Ų | 131.6 | 86% | 0.855 | 71% | 0.707 | S | S | * | * | trans | -66 | 85.5 | 151.6 | -178.5 | 0 | 0 | 0 | 0 | 107.5 | N64 K68 | N64-V66 PolarHBondContact O-N 3.31Å; V66-K68 PolarHBondContact O-N 2.83Å | ||
| 67 | K | 27.5 | Very low | 32.4 | Very low | 182 Ų | 182 | 125.7 Ų | 125.7 | 79% | 0.791 | 68% | 0.676 | S | S | * | * | trans | -60.7 | 110.1 | 173.1 | -76.5 | -173.6 | 175.8 | -177.6 | 0 | 107.9 | N65 A69 | N65-K67 PolarHBondContact O-N 3.44Å; K67-A69 PolarHBondContact O-N 3.2Å | ||
| 68 | K | 28.4 | Very low | 34.1 | Very low | 190 Ų | 190 | 122.3 Ų | 122.3 | 83% | 0.826 | 65% | 0.651 | S | S | * | * | trans | -50.5 | 134.2 | 162.6 | -69.9 | -178 | 176.6 | -179.2 | 0 | 107.7 | V66 S70 | V66-K68 PolarHBondContact O-N 2.83Å; K68-S70 PolarHBondContact O-N 3.34Å | ||
| 69 | A | 31.1 | Very low | 35.9 | Very low | 86 Ų | 86 | 122.9 Ų | 122.9 | 71% | 0.711 | 65% | 0.649 | S | S | * | * | trans | -71.4 | 73 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | K67 L71 | K67-A69 PolarHBondContact O-N 3.2Å; A69-L71 PolarHBondContact O-N 3.09Å | ||
| 70 | S | 31.4 | Very low | 37.8 | Very low | 69 Ų | 69 | 121.4 Ų | 121.4 | 48% | 0.483 | 64% | 0.638 | S | S | . | * | trans | -69 | 121.9 | 173.7 | 53.1 | 0 | 0 | 0 | 0 | 109.1 | K68 F72 | K68-S70 PolarHBondContact O-N 3.34Å; S70-F72 PolarHBondContact O-N 2.75Å | ||
| 71 | L | 36.1 | Very low | 39.6 | Very low | 38 Ų | 38 | 115 Ų | 115 | 20% | 0.199 | 60% | 0.604 | C | S | . | * | S | Bend | trans | -71.2 | 32.7 | 178 | -126.1 | 158.9 | 0 | 0 | 0 | 113.1 | A69 L89 Q92 | A69-L71 PolarHBondContact O-N 3.09Å; L71-L89 HydrophobicContact CB-CD2 4.44Å; L71-Q92 HydrophobicContact CD1-CB 3.81Å |
| 72 | F | 28.9 | Very low | 41.3 | Very low | 166 Ų | 166 | 116.6 Ų | 116.6 | 73% | 0.728 | 60% | 0.595 | S | S | * | * | trans | -117 | 54.6 | -165.9 | -79.4 | -89 | 0 | 0 | 0 | 112 | S70 | S70-F72 PolarHBondContact O-N 2.75Š| ||
| 73 | Y | 31.9 | Very low | 42.7 | Very low | 179 Ų | 179 | 116.9 Ų | 116.9 | 70% | 0.702 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -135.7 | 114 | 163.8 | -81.4 | -74.8 | 0 | 0 | 0 | 110.7 | ||
| 74 | S | 37.2 | Very low | 44.1 | Very low | 123 Ų | 123 | 111.6 Ų | 111.6 | 86% | 0.86 | 57% | 0.565 | S | S | * | * | trans | 44.6 | 69.8 | 166.5 | 60.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 75 | L | 46.4 | Very low | 45.4 | Very low | 65 Ų | 65 | 113.6 Ų | 113.6 | 34% | 0.34 | 56% | 0.563 | S | S | . | * | trans | -96 | 118.4 | 149.5 | -115.6 | 93.3 | 0 | 0 | 0 | 109.3 | L77 L186 | L75-L77 HydrophobicContact CD2-CD2 4.01Å; L75-L77 PolarHBondContact O-N 2.88Å; L75-L186 HydrophobicContact CD1-CB 3.81Å; L75-L186 HydrophobicContact CD2-CB 3.99Å; L75-L186 HydrophobicContact CD2-CD2 3.74Å; L75-L186 HydrophobicContact CD2-CG 4.43Å | ||
| 76 | Q | 51.5 | Low | 46.8 | Very low | 166 Ų | 166 | 109.3 Ų | 109.3 | 78% | 0.776 | 54% | 0.538 | S | S | * | . | trans | -84.4 | 94.3 | 168.3 | -168.8 | 170.3 | 5.5 | 0 | 0 | 108.2 | Y188 | Q76-Y188 PolarHBondContact O-OH 2.93Š| ||
| 77 | L | 60.8 | Low | 48.1 | Very low | 21 Ų | 21 | 103.7 Ų | 103.7 | 11% | 0.11 | 50% | 0.502 | C | S | . | . | trans | -71.4 | 151.1 | 177.1 | -69.4 | 172 | 0 | 0 | 0 | 110.7 | L75 Y82 F86 F88 F110 | L75-L77 HydrophobicContact CD2-CD2 4.01Å; L75-L77 PolarHBondContact O-N 2.88Å; L77-Y82 HydrophobicContact CB-CD1 4.29Å; L77-Y82 HydrophobicContact CB-CE1 3.93Å; L77-Y82 PolarHBondContact O-OH 3.49Å; L77-F86 HydrophobicContact CD1-CD2 4.04Å; L77-F86 HydrophobicContact CD1-CE2 3.9Å; L77-F88 HydrophobicContact CD1-CE2 4.36Å; L77-F88 HydrophobicContact CD1-CZ 4.24Å; L77-F88 HydrophobicContact CD2-CZ 4.03Å; L77-F110 HydrophobicContact CD2-CE1 4.26Å | ||
| 78 | P | 64 | Low | 49.6 | Very low | 24 Ų | 24 | 96.6 Ų | 96.6 | 16% | 0.156 | 47% | 0.472 | C | S | . | . | trans | -49.8 | 138.6 | 163.5 | -24.7 | 31 | 0 | 0 | 0 | 111.7 | E80 L81 W108 Y188 | P78-E80 PolarHBondContact O-N 3.21Å; P78-L81 HydrophobicContact CB-CD1 4.39Å; P78-L81 HydrophobicContact CB-CG 4.39Å; P78-L81 HydrophobicContact CG-CD1 4.13Å; P78-L81 WeakPolarHBondContact O-CB 3.47Å; P78-L81 PolarHBondContact O-N 3.19Å; P78-W108 HydrophobicContact CB-CH2 3.71Å; P78-W108 HydrophobicContact CB-CZ2 3.89Å; P78-W108 HydrophobicContact CB-CZ3 4.47Å; P78-W108 HydrophobicContact CG-CE3 4.39Å; P78-W108 HydrophobicContact CG-CH2 3.31Å; P78-W108 HydrophobicContact CG-CZ2 3.9Å; P78-W108 HydrophobicContact CG-CZ3 3.6Å; P78-Y188 HydrophobicContact CG-CD2 4.45Å; P78-Y188 HydrophobicContact CG-CE2 3.79Å | ||
| 79 | E | 65.3 | Low | 50.9 | Low | 169 Ų | 169 | 89.2 Ų | 89.2 | 79% | 0.79 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -61.4 | -32.2 | -175.5 | -54.9 | -170.2 | 143.3 | 0 | 0 | 112.9 | L81 Y82 | E79-L81 PolarHBondContact O-N 3.41Å; E79-Y82 HydrophobicContact CB-CD2 4.3Å; E79-Y82 HydrophobicContact CB-CE2 4.23Å; E79-Y82 HydrophobicContact CG-CE2 4.05Å; E79-Y82 PolarHBondContact O-N 2.71Å |
| 80 | E | 68 | Low | 52.2 | Low | 108 Ų | 108 | 85.2 Ų | 85.2 | 51% | 0.505 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -50.3 | -22.8 | 170.9 | -58.9 | 178.4 | -169.9 | 0 | 0 | 113.8 | P78 Y84 W108 K190 | P78-E80 PolarHBondContact O-N 3.21Å; E80-Y84 WeakPolarHBondContact O-CE2 3.26Å; E80-W108 WeakPolarHBondContact OE2-CZ2 3.35Å; E80-K190 IonicContact OE1-NZ 3.15Å; E80-K190 PolarHBondContact OE1-NZ 3.39Å; E80-K190 IonicContact OE2-NZ 3.92Å; E80-K190 PolarHBondContact OE2-NZ 3.22Å |
| 81 | L | 63.4 | Low | 53.6 | Low | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -104.5 | -14.4 | -170.2 | -70.8 | -174.3 | 0 | 0 | 0 | 115.1 | P78 E79 N83 Y84 F86 L99 W108 F110 | P78-L81 HydrophobicContact CB-CD1 4.39Å; P78-L81 HydrophobicContact CB-CG 4.39Å; P78-L81 HydrophobicContact CG-CD1 4.13Å; P78-L81 WeakPolarHBondContact O-CB 3.47Å; P78-L81 PolarHBondContact O-N 3.19Å; E79-L81 PolarHBondContact O-N 3.41Å; L81-N83 PolarHBondContact O-N 3.25Å; L81-Y84 HydrophobicContact CD2-CD2 4.12Å; L81-Y84 HydrophobicContact CD2-CE2 4.33Å; L81-Y84 PolarHBondContact O-N 2.73Å; L81-F86 HydrophobicContact CB-CE2 4.27Å; L81-F86 HydrophobicContact CB-CZ 3.87Å; L81-F86 HydrophobicContact CD1-CZ 4.16Å; L81-F86 HydrophobicContact CD2-CZ 4.17Å; L81-F86 HydrophobicContact CG-CZ 4.3Å; L81-F86 WeakPolarHBondContact O-CE2 3.45Å; L81-L99 HydrophobicContact CD2-CD2 3.68Å; L81-W108 HydrophobicContact CD1-CD2 3.86Å; L81-W108 HydrophobicContact CD1-CE3 4.34Å; L81-W108 HydrophobicContact CD1-CG 3.96Å; L81-W108 HydrophobicContact CD1-CZ2 4.49Å; L81-W108 HydrophobicContact CD2-CG 4.23Å; L81-F110 HydrophobicContact CD1-CE1 4.28Å; L81-F110 HydrophobicContact CD1-CZ 3.77Å |
| 82 | Y | 62.1 | Low | 54.5 | Low | 130 Ų | 130 | 82.4 Ų | 82.4 | 51% | 0.51 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -21.6 | -172.4 | -71.1 | -49.9 | 0 | 0 | 0 | 114.9 | L77 E79 | L77-Y82 HydrophobicContact CB-CD1 4.29Å; L77-Y82 HydrophobicContact CB-CE1 3.93Å; L77-Y82 PolarHBondContact O-OH 3.49Å; E79-Y82 HydrophobicContact CB-CD2 4.3Å; E79-Y82 HydrophobicContact CB-CE2 4.23Å; E79-Y82 HydrophobicContact CG-CE2 4.05Å; E79-Y82 PolarHBondContact O-N 2.71Å |
| 83 | N | 55.5 | Low | 55.6 | Low | 163 Ų | 163 | 78.5 Ų | 78.5 | 87% | 0.872 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -3.5 | 178.5 | -67.6 | -20.8 | 0 | 0 | 0 | 114.4 | L81 | L81-N83 PolarHBondContact O-N 3.25Š|
| 84 | Y | 56.5 | Low | 56.8 | Low | 51 Ų | 51 | 70.1 Ų | 70.1 | 20% | 0.2 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -95.8 | 146.1 | 178.5 | -65.6 | -101.3 | 0 | 0 | 0 | 111 | E80 L81 F86 L99 R102 | E80-Y84 WeakPolarHBondContact O-CE2 3.26Å; L81-Y84 HydrophobicContact CD2-CD2 4.12Å; L81-Y84 HydrophobicContact CD2-CE2 4.33Å; L81-Y84 PolarHBondContact O-N 2.73Å; Y84-F86 VanDerWaalsContact O-CD2 3.26Å; Y84-F86 WeakPolarHBondContact O-CD2 3.25Å; Y84-F86 VanDerWaalsContact O-CE2 3.27Å; Y84-F86 WeakPolarHBondContact O-CE2 3.21Å; Y84-L99 HydrophobicContact CD1-CD1 4.06Å; Y84-L99 HydrophobicContact CD1-CD2 3.83Å; Y84-L99 HydrophobicContact CD1-CG 4.36Å; Y84-L99 HydrophobicContact CD2-CD2 4.49Å; Y84-L99 HydrophobicContact CE1-CD2 4.3Å; Y84-L99 HydrophobicContact CG-CD2 3.93Å; Y84-R102 PolarHBondContact OH-N 3.41Å |
| 85 | R | 52.1 | Low | 58 | Low | 180 Ų | 180 | 64.5 Ų | 64.5 | 68% | 0.679 | 30% | 0.295 | S | S | * | . | trans | -84.1 | 130.9 | 172.7 | -70.4 | -176.2 | 174.3 | -171.4 | -1.7 | 110 | ||||
| 86 | F | 56.4 | Low | 59.1 | Low | 45 Ų | 45 | 62 Ų | 62 | 20% | 0.197 | 28% | 0.282 | C | S | . | . | trans | -117.7 | 142.3 | -179.1 | -64.6 | -82 | 0 | 0 | 0 | 112.5 | L77 L81 Y84 F88 L99 F110 | L77-F86 HydrophobicContact CD1-CD2 4.04Å; L77-F86 HydrophobicContact CD1-CE2 3.9Å; L81-F86 HydrophobicContact CB-CE2 4.27Å; L81-F86 HydrophobicContact CB-CZ 3.87Å; L81-F86 HydrophobicContact CD1-CZ 4.16Å; L81-F86 HydrophobicContact CD2-CZ 4.17Å; L81-F86 HydrophobicContact CG-CZ 4.3Å; L81-F86 WeakPolarHBondContact O-CE2 3.45Å; Y84-F86 VanDerWaalsContact O-CD2 3.26Å; Y84-F86 WeakPolarHBondContact O-CD2 3.25Å; Y84-F86 VanDerWaalsContact O-CE2 3.27Å; Y84-F86 WeakPolarHBondContact O-CE2 3.21Å; F86-F88 HydrophobicContact CB-CD1 4.12Å; F86-F88 HydrophobicContact CB-CD2 3.99Å; F86-F88 HydrophobicContact CB-CE1 3.7Å; F86-F88 HydrophobicContact CB-CE2 3.54Å; F86-F88 HydrophobicContact CB-CG 4.27Å; F86-F88 HydrophobicContact CB-CZ 3.39Å; F86-F88 HydrophobicContact CD1-CD1 4.43Å; F86-F88 AromaticContact CD1-CE1 3.42Å; F86-F88 HydrophobicContact CD1-CE1 3.42Å; F86-F88 VanDerWaalsContact CD1-CE1 3.42Å; F86-F88 HydrophobicContact CD1-CE2 4.38Å; F86-F88 AromaticContact CD1-CZ 3.39Å; F86-F88 HydrophobicContact CD1-CZ 3.39Å; F86-F88 HydrophobicContact CD2-CE2 4.4Å; F86-F88 AromaticContact CD2-CZ 3.99Å; F86-F88 HydrophobicContact CD2-CZ 3.99Å; F86-F88 HydrophobicContact CE1-CE1 4.28Å; F86-F88 HydrophobicContact CE1-CZ 4.17Å; F86-F88 AromaticContact CG-CE1 3.73Å; F86-F88 HydrophobicContact CG-CE1 3.73Å; F86-F88 AromaticContact CG-CE2 3.87Å; F86-F88 HydrophobicContact CG-CE2 3.87Å; F86-F88 AromaticContact CG-CZ 3.29Å; F86-F88 HydrophobicContact CG-CZ 3.29Å; F86-L99 HydrophobicContact CE1-CD2 3.84Å; F86-L99 HydrophobicContact CZ-CD2 4.01Å; F86-F110 HydrophobicContact CD1-CZ 4.26Å; F86-F110 HydrophobicContact CE1-CE1 4.31Å; F86-F110 AromaticContact CE1-CE2 3.97Å; F86-F110 HydrophobicContact CE1-CE2 3.97Å; F86-F110 AromaticContact CE1-CZ 3.57Å; F86-F110 HydrophobicContact CE1-CZ 3.57Å; F86-F110 HydrophobicContact CZ-CZ 4.35Å | ||
| 87 | N | 55.6 | Low | 60.1 | Low | 22 Ų | 22 | 54.1 Ų | 54.1 | 12% | 0.118 | 25% | 0.245 | C | C | . | . | trans | -120.6 | 57.4 | 176.9 | 178.9 | 32.4 | 0 | 0 | 0 | 111.1 | W41 L89 N90 Y358 | W41-N87 HydrophobicContact CH2-CB 4.38Å; W41-N87 WeakPolarHBondContact CH2-O 3.45Å; W41-N87 HydrophobicContact CZ2-CB 4.06Å; N87-L89 PolarHBondContact O-N 3.12Å; N87-N90 PolarHBondContact O-N 3.16Å; N87-Y358 PolarHBondContact ND2-O 2.73Å; N87-Y358 VanDerWaalsContact OD1-CB 3.3Å; N87-Y358 WeakPolarHBondContact OD1-CB 3.29Å | ||
| 88 | F | 58.8 | Low | 60.9 | Low | 33 Ų | 33 | 53.4 Ų | 53.4 | 15% | 0.145 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -60.4 | -11.6 | -175.6 | -56.2 | -49.8 | 0 | 0 | 0 | 114.4 | L77 F86 N90 L91 F110 L186 | L77-F88 HydrophobicContact CD1-CE2 4.36Å; L77-F88 HydrophobicContact CD1-CZ 4.24Å; L77-F88 HydrophobicContact CD2-CZ 4.03Å; F86-F88 HydrophobicContact CB-CD1 4.12Å; F86-F88 HydrophobicContact CB-CD2 3.99Å; F86-F88 HydrophobicContact CB-CE1 3.7Å; F86-F88 HydrophobicContact CB-CE2 3.54Å; F86-F88 HydrophobicContact CB-CG 4.27Å; F86-F88 HydrophobicContact CB-CZ 3.39Å; F86-F88 HydrophobicContact CD1-CD1 4.43Å; F86-F88 AromaticContact CD1-CE1 3.42Å; F86-F88 HydrophobicContact CD1-CE1 3.42Å; F86-F88 VanDerWaalsContact CD1-CE1 3.42Å; F86-F88 HydrophobicContact CD1-CE2 4.38Å; F86-F88 AromaticContact CD1-CZ 3.39Å; F86-F88 HydrophobicContact CD1-CZ 3.39Å; F86-F88 HydrophobicContact CD2-CE2 4.4Å; F86-F88 AromaticContact CD2-CZ 3.99Å; F86-F88 HydrophobicContact CD2-CZ 3.99Å; F86-F88 HydrophobicContact CE1-CE1 4.28Å; F86-F88 HydrophobicContact CE1-CZ 4.17Å; F86-F88 AromaticContact CG-CE1 3.73Å; F86-F88 HydrophobicContact CG-CE1 3.73Å; F86-F88 AromaticContact CG-CE2 3.87Å; F86-F88 HydrophobicContact CG-CE2 3.87Å; F86-F88 AromaticContact CG-CZ 3.29Å; F86-F88 HydrophobicContact CG-CZ 3.29Å; F88-N90 VanDerWaalsContact C-N 3.26Å; F88-N90 PolarHBondContact O-N 3.49Å; F88-L91 HydrophobicContact CB-CD1 4.31Å; F88-L91 HydrophobicContact CD1-CD1 3.74Å; F88-L91 HydrophobicContact CG-CD1 4.49Å; F88-L91 VanDerWaalsContact O-CB 3.29Å; F88-L91 WeakPolarHBondContact O-CB 3.5Å; F88-L91 PolarHBondContact O-N 3.12Å; F88-F110 AromaticContact CE1-CD1 3.82Å; F88-F110 HydrophobicContact CE1-CD1 3.82Å; F88-F110 AromaticContact CE1-CE1 3.98Å; F88-F110 HydrophobicContact CE1-CE1 3.98Å; F88-F110 HydrophobicContact CE1-CG 4.23Å; F88-F110 HydrophobicContact CZ-CD1 4.48Å; F88-F110 HydrophobicContact CZ-CE1 4.3Å; F88-L186 HydrophobicContact CB-CD2 4.5Å; F88-L186 HydrophobicContact CD1-CD2 3.64Å; F88-L186 HydrophobicContact CD2-CD2 4.44Å; F88-L186 HydrophobicContact CE1-CD2 3.82Å; F88-L186 HydrophobicContact CG-CD2 3.96Å; F88-L186 HydrophobicContact CZ-CD2 4.31Å |
| 89 | L | 56 | Low | 61.3 | Low | 35 Ų | 35 | 52.4 Ų | 52.4 | 18% | 0.183 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -60 | -29.7 | 176.4 | -73.2 | 164.1 | 0 | 0 | 0 | 113.5 | L71 N87 L91 Q92 T359 | L71-L89 HydrophobicContact CB-CD2 4.44Å; N87-L89 PolarHBondContact O-N 3.12Å; L89-L91 VanDerWaalsContact C-N 3.32Å; L89-Q92 WeakPolarHBondContact O-CB 3.49Å; L89-Q92 WeakPolarHBondContact O-CG 3.3Å; L89-Q92 PolarHBondContact O-N 3.23Å; L89-Q92 PolarHBondContact O-NE2 2.71Å; L89-T359 HydrophobicContact CB-CG2 3.32Å; L89-T359 HydrophobicContact CD1-CG2 3.75Å; L89-T359 HydrophobicContact CG-CG2 4.15Å |
| 90 | N | 57.8 | Low | 61.7 | Low | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -70.4 | -30.2 | 174.5 | -84.1 | 30.1 | 0 | 0 | 0 | 111.9 | W41 N87 F88 Q92 Y93 W95 Y360 | W41-N90 HydrophobicContact CE3-CB 3.94Å; W41-N90 HydrophobicContact CH2-CB 4.02Å; W41-N90 HydrophobicContact CZ3-CB 3.54Å; N87-N90 PolarHBondContact O-N 3.16Å; F88-N90 VanDerWaalsContact C-N 3.26Å; F88-N90 PolarHBondContact O-N 3.49Å; N90-Q92 PolarHBondContact O-N 2.98Å; N90-Y93 PolarHBondContact O-N 2.75Å; N90-Y93 VanDerWaalsContact O-N 3.07Å; N90-W95 HydrophobicContact CB-CD2 4.41Å; N90-W95 HydrophobicContact CB-CE3 4.41Å; N90-W95 HydrophobicContact CB-CG 4.44Å; N90-W95 WeakPolarHBondContact O-CB 3.05Å; N90-Y360 PolarHBondContact ND2-O 3.07Å; N90-Y360 VanDerWaalsContact ND2-O 3.14Å |
| 91 | L | 61.1 | Low | 61.8 | Low | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -65.8 | -26.6 | 177.2 | -54.6 | 174.1 | 0 | 0 | 0 | 112.1 | W41 F88 L89 Y93 G94 W95 Q97 F110 S112 L186 | W41-L91 HydrophobicContact CE3-CD2 4.49Å; W41-L91 HydrophobicContact CH2-CG 4.46Å; W41-L91 HydrophobicContact CZ3-CD2 3.74Å; W41-L91 HydrophobicContact CZ3-CG 3.96Å; F88-L91 HydrophobicContact CB-CD1 4.31Å; F88-L91 HydrophobicContact CD1-CD1 3.74Å; F88-L91 HydrophobicContact CG-CD1 4.49Å; F88-L91 VanDerWaalsContact O-CB 3.29Å; F88-L91 WeakPolarHBondContact O-CB 3.5Å; F88-L91 PolarHBondContact O-N 3.12Å; L89-L91 VanDerWaalsContact C-N 3.32Å; L91-Y93 PolarHBondContact O-N 2.86Å; L91-G94 PolarHBondContact O-N 2.83Å; L91-W95 HydrophobicContact CD2-CB 4.48Å; L91-W95 WeakPolarHBondContact CD2-O 3.08Å; L91-Q97 HydrophobicContact CD1-CB 4.33Å; L91-Q97 HydrophobicContact CD2-CB 3.8Å; L91-Q97 HydrophobicContact CG-CB 4.49Å; L91-F110 HydrophobicContact CD1-CB 3.68Å; L91-S112 WeakPolarHBondContact O-CB 3.44Å; L91-L186 HydrophobicContact CB-CD1 3.9Å; L91-L186 HydrophobicContact CD1-CD1 3.45Å; L91-L186 VanDerWaalsContact CD1-CD1 3.45Å; L91-L186 HydrophobicContact CD1-CD2 4.09Å; L91-L186 HydrophobicContact CD1-CG 4.28Å; L91-L186 HydrophobicContact CG-CD1 4.28Å |
| 92 | Q | 54.7 | Low | 62 | Low | 46 Ų | 46 | 51 Ų | 51 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -61.2 | -24.1 | 174 | 101.7 | -164.2 | -65 | 0 | 0 | 112.4 | L71 L89 N90 H115 | L71-Q92 HydrophobicContact CD1-CB 3.81Å; L89-Q92 WeakPolarHBondContact O-CB 3.49Å; L89-Q92 WeakPolarHBondContact O-CG 3.3Å; L89-Q92 PolarHBondContact O-N 3.23Å; L89-Q92 PolarHBondContact O-NE2 2.71Å; N90-Q92 PolarHBondContact O-N 2.98Å; Q92-H115 PolarHBondContact O-NE2 3.29Å |
| 93 | Y | 53.4 | Low | 62.3 | Low | 84 Ų | 84 | 48 Ų | 48 | 33% | 0.329 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -92.7 | 5.1 | 176.5 | -57.5 | -64.2 | 0 | 0 | 0 | 113.6 | N90 L91 | N90-Y93 PolarHBondContact O-N 2.75Å; N90-Y93 VanDerWaalsContact O-N 3.07Å; L91-Y93 PolarHBondContact O-N 2.86Å |
| 94 | G | 56.2 | Low | 63.1 | Low | 3 Ų | 3 | 41.5 Ų | 41.5 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 100.8 | 0.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y45 L91 H115 | Y45-G94 VanDerWaalsContact CD2-O 3.3Å; Y45-G94 WeakPolarHBondContact CD2-O 3.19Å; L91-G94 PolarHBondContact O-N 2.83Å; G94-H115 WeakPolarHBondContact CA-CD2 3.09Å; G94-H115 PolarHBondContact N-CD2 3.28Å; G94-H115 VanDerWaalsContact N-CD2 3.29Å; G94-H115 PolarHBondContact N-NE2 3.17Å |
| 95 | W | 62 | Low | 63.9 | Low | 5 Ų | 5 | 41.3 Ų | 41.3 | 2% | 0.019 | 18% | 0.181 | C | C | . | . | trans | -66.6 | 160.9 | 179.8 | -65 | 40.4 | 0 | 0 | 0 | 110.9 | W41 M42 T43 N90 L91 F362 | W41-W95 HydrophobicContact CB-CE3 4.03Å; W41-W95 HydrophobicContact CB-CZ3 4.15Å; W41-W95 HydrophobicContact CD2-CE3 4.47Å; W41-W95 HydrophobicContact CE3-CB 4.3Å; W41-W95 HydrophobicContact CE3-CE3 4.12Å; W41-W95 HydrophobicContact CG-CE3 4.44Å; M42-W95 WeakPolarHBondContact O-CA 3.3Å; M42-W95 WeakPolarHBondContact O-CB 3.4Å; T43-W95 HydrophobicContact CG2-CD2 4.35Å; T43-W95 HydrophobicContact CG2-CE3 3.91Å; T43-W95 HydrophobicContact CG2-CH2 3.26Å; T43-W95 HydrophobicContact CG2-CZ2 3.84Å; T43-W95 HydrophobicContact CG2-CZ3 3.36Å; N90-W95 HydrophobicContact CB-CD2 4.41Å; N90-W95 HydrophobicContact CB-CE3 4.41Å; N90-W95 HydrophobicContact CB-CG 4.44Å; N90-W95 WeakPolarHBondContact O-CB 3.05Å; L91-W95 HydrophobicContact CD2-CB 4.48Å; L91-W95 WeakPolarHBondContact CD2-O 3.08Å; W95-F362 HydrophobicContact CH2-CB 3.99Å; W95-F362 AromaticContact CH2-CD2 3.23Å; W95-F362 HydrophobicContact CH2-CD2 3.23Å; W95-F362 AromaticContact CH2-CE2 3.79Å; W95-F362 HydrophobicContact CH2-CE2 3.79Å; W95-F362 AromaticContact CH2-CG 3.84Å; W95-F362 HydrophobicContact CH2-CG 3.84Å; W95-F362 HydrophobicContact CZ2-CB 4.47Å; W95-F362 HydrophobicContact CZ2-CD2 4.13Å; W95-F362 AromaticContact CZ3-CD2 3.87Å; W95-F362 HydrophobicContact CZ3-CD2 3.87Å; W95-F362 AromaticContact CZ3-CE2 3.93Å; W95-F362 HydrophobicContact CZ3-CE2 3.93Å | ||
| 96 | L | 70 | Confident | 65.2 | Low | 13 Ų | 13 | 35 Ų | 35 | 7% | 0.068 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 149.4 | 165.3 | -54.6 | 178.5 | 0 | 0 | 0 | 109.4 | M42 L109 L111 L125 W261 | M42-L96 HydrophobicContact CB-CB 3.99Å; M42-L96 HydrophobicContact CE-CD1 3.64Å; M42-L96 HydrophobicContact CE-CG 3.96Å; M42-L96 PolarHBondContact N-O 2.91Å; M42-L96 PolarHBondContact O-N 3.39Å; M42-L96 HydrophobicContact SD-CD1 4.04Å; L96-L109 HydrophobicContact CB-CD1 4.18Å; L96-L109 HydrophobicContact CD1-CD1 4.47Å; L96-L111 HydrophobicContact CD2-CB 3.53Å; L96-L125 HydrophobicContact CD1-CD1 3.75Å; L96-W261 HydrophobicContact CB-CH2 4.38Å |
| 97 | Q | 72.3 | Confident | 66.3 | Low | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 129.4 | 179.6 | -176.9 | -175 | 7 | 0 | 0 | 108.5 | S39 W41 L91 L109 F110 | S39-Q97 VanDerWaalsContact CB-CG 3.46Å; S39-Q97 WeakPolarHBondContact OG-CG 3.26Å; S39-Q97 PolarHBondContact OG-NE2 2.93Å; W41-Q97 HydrophobicContact CD2-CB 4.46Å; W41-Q97 HydrophobicContact CD2-CG 4.38Å; W41-Q97 HydrophobicContact CE3-CB 3.93Å; W41-Q97 HydrophobicContact CE3-CG 4.27Å; W41-Q97 HydrophobicContact CH2-CB 3.8Å; W41-Q97 HydrophobicContact CH2-CG 3.6Å; W41-Q97 HydrophobicContact CZ2-CB 4.34Å; W41-Q97 HydrophobicContact CZ2-CG 3.72Å; W41-Q97 HydrophobicContact CZ3-CB 3.6Å; W41-Q97 HydrophobicContact CZ3-CG 3.92Å; L91-Q97 HydrophobicContact CD1-CB 4.33Å; L91-Q97 HydrophobicContact CD2-CB 3.8Å; L91-Q97 HydrophobicContact CG-CB 4.49Å; Q97-L109 CarbonylContact O-C 3.48Å; Q97-L109 WeakPolarHBondContact O-CA 3.48Å; Q97-F110 HydrophobicContact CB-CB 4.23Å; Q97-F110 HydrophobicContact CB-CD2 4.22Å; Q97-F110 HydrophobicContact CG-CD2 4.21Å; Q97-F110 PolarHBondContact N-O 2.98Å; Q97-F110 PolarHBondContact O-N 2.77Å |
| 98 | M | 77.5 | Confident | 67.4 | Low | 7 Ų | 7 | 32.5 Ų | 32.5 | 3% | 0.034 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 100 | 175 | -173.2 | 163.8 | 51.8 | 0 | 0 | 109.3 | I40 F100 A107 W108 L191 F220 W261 | I40-M98 PolarHBondContact N-O 3.3Å; I40-M98 PolarHBondContact O-N 3.35Å; M98-F100 HydrophobicContact CB-CE2 4.38Å; M98-F100 HydrophobicContact CE-CE2 3.89Å; M98-F100 HydrophobicContact CE-CZ 3.76Å; M98-F100 HydrophobicContact CG-CD2 4.4Å; M98-F100 HydrophobicContact CG-CE2 3.64Å; M98-F100 HydrophobicContact CG-CZ 3.91Å; M98-F100 HydrophobicContact SD-CE2 4.1Å; M98-F100 HydrophobicContact SD-CZ 3.82Å; M98-A107 HydrophobicContact CG-CB 4.02Å; M98-W108 WeakPolarHBondContact CA-O 3.49Å; M98-L191 HydrophobicContact SD-CD2 4.25Å; M98-F220 HydrophobicContact CE-CE1 4.14Å; M98-W261 HydrophobicContact CB-CE3 4.41Å; M98-W261 HydrophobicContact CB-CH2 4.02Å; M98-W261 HydrophobicContact CB-CZ3 3.52Å; M98-W261 HydrophobicContact CE-CD2 4.46Å; M98-W261 HydrophobicContact CE-CE3 4.04Å; M98-W261 HydrophobicContact CE-CH2 4.03Å; M98-W261 HydrophobicContact CE-CZ2 4.44Å; M98-W261 HydrophobicContact CE-CZ3 3.83Å |
| 99 | L | 73.9 | Confident | 68.4 | Low | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 125.1 | 175.8 | -179.1 | 78.9 | 0 | 0 | 0 | 109.4 | L81 Y84 F86 A107 W108 F110 | L81-L99 HydrophobicContact CD2-CD2 3.68Å; Y84-L99 HydrophobicContact CD1-CD1 4.06Å; Y84-L99 HydrophobicContact CD1-CD2 3.83Å; Y84-L99 HydrophobicContact CD1-CG 4.36Å; Y84-L99 HydrophobicContact CD2-CD2 4.49Å; Y84-L99 HydrophobicContact CE1-CD2 4.3Å; Y84-L99 HydrophobicContact CG-CD2 3.93Å; F86-L99 HydrophobicContact CE1-CD2 3.84Å; F86-L99 HydrophobicContact CZ-CD2 4.01Å; L99-A107 CarbonylContact O-C 3.5Å; L99-A107 WeakPolarHBondContact O-CA 3.16Å; L99-A107 WeakPolarHBondContact O-CB 3.36Å; L99-W108 PolarHBondContact N-O 2.75Å; L99-W108 PolarHBondContact O-N 2.92Å; L99-F110 HydrophobicContact CB-CE2 4.07Å |
| 100 | F | 73.6 | Confident | 69.3 | Low | 23 Ų | 23 | 29.6 Ų | 29.6 | 10% | 0.101 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 140.1 | 170 | -69.3 | -96.6 | 0 | 0 | 0 | 109.9 | F29 I33 I40 M98 A107 F220 | F29-F100 HydrophobicContact CB-CD1 4.04Å; F29-F100 HydrophobicContact CB-CE1 3.82Å; F29-F100 HydrophobicContact CD1-CE1 4.06Å; F29-F100 AromaticContact CD2-CD1 3.73Å; F29-F100 HydrophobicContact CD2-CD1 3.73Å; F29-F100 AromaticContact CD2-CE1 3.61Å; F29-F100 HydrophobicContact CD2-CE1 3.61Å; F29-F100 HydrophobicContact CE2-CD1 4.4Å; F29-F100 HydrophobicContact CE2-CE1 4.13Å; F29-F100 AromaticContact CG-CD1 3.99Å; F29-F100 HydrophobicContact CG-CD1 3.99Å; F29-F100 AromaticContact CG-CE1 3.56Å; F29-F100 HydrophobicContact CG-CE1 3.56Å; I33-F100 HydrophobicContact CD1-CZ 4.29Å; I33-F100 HydrophobicContact CG2-CD1 3.84Å; I33-F100 HydrophobicContact CG2-CD2 3.58Å; I33-F100 HydrophobicContact CG2-CE1 3.91Å; I33-F100 HydrophobicContact CG2-CE2 3.68Å; I33-F100 HydrophobicContact CG2-CG 3.67Å; I33-F100 HydrophobicContact CG2-CZ 3.84Å; I40-F100 HydrophobicContact CD1-CD2 3.98Å; I40-F100 HydrophobicContact CD1-CE2 3.48Å; I40-F100 VanDerWaalsContact CD1-CE2 3.48Å; I40-F100 HydrophobicContact CD1-CZ 4.38Å; I40-F100 HydrophobicContact CG1-CD2 4.09Å; I40-F100 HydrophobicContact CG1-CE2 3.91Å; M98-F100 HydrophobicContact CB-CE2 4.38Å; M98-F100 HydrophobicContact CE-CE2 3.89Å; M98-F100 HydrophobicContact CE-CZ 3.76Å; M98-F100 HydrophobicContact CG-CD2 4.4Å; M98-F100 HydrophobicContact CG-CE2 3.64Å; M98-F100 HydrophobicContact CG-CZ 3.91Å; M98-F100 HydrophobicContact SD-CE2 4.1Å; M98-F100 HydrophobicContact SD-CZ 3.82Å; F100-A107 HydrophobicContact CD1-CB 3.78Å; F100-A107 HydrophobicContact CE1-CB 3.81Å; F100-A107 HydrophobicContact CG-CB 4.15Å; F100-A107 HydrophobicContact CZ-CB 4.18Å; F100-F220 HydrophobicContact CZ-CZ 4.33Å |
| 101 | T | 69.9 | Low | 70.1 | Confident | 12 Ų | 12 | 29.4 Ų | 29.4 | 7% | 0.074 | 13% | 0.131 | C | C | . | . | P | Polyproline II helix | trans | -85.4 | 155.6 | 176.8 | 42.3 | 0 | 0 | 0 | 0 | 111.3 | D103 S104 H106 | T101-D103 WeakPolarHBondContact CB-OD1 3.41Å; T101-D103 PolarHBondContact O-N 2.89Å; T101-D103 PolarHBondContact OG1-OD1 3.46Å; T101-S104 PolarHBondContact O-N 2.75Å; T101-H106 HydrophobicContact CG2-CB 4.43Å; T101-H106 PolarHBondContact N-O 2.75Å; T101-H106 VanDerWaalsContact N-O 3.15Å; T101-H106 VanDerWaalsContact OG1-CB 3.27Å; T101-H106 WeakPolarHBondContact OG1-CB 3.37Å; T101-H106 PolarHBondContact OG1-O 2.88Å |
| 102 | R | 66.2 | Low | 70.6 | Confident | 214 Ų | 214 | 29.6 Ų | 29.6 | 81% | 0.808 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -19.1 | 178.3 | -70 | -175.7 | 176 | -167 | -3.4 | 115.2 | Y84 S104 | Y84-R102 PolarHBondContact OH-N 3.41Å; R102-S104 VanDerWaalsContact C-N 3.28Å |
| 103 | D | 69.6 | Low | 71.4 | Confident | 66 Ų | 66 | 27.4 Ų | 27.4 | 35% | 0.353 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -10.4 | 175.6 | 68.6 | 3.1 | 0 | 0 | 0 | 113.7 | T101 H105 H106 | T101-D103 WeakPolarHBondContact CB-OD1 3.41Å; T101-D103 PolarHBondContact O-N 2.89Å; T101-D103 PolarHBondContact OG1-OD1 3.46Å; D103-H105 PolarHBondContact O-N 2.9Å; D103-H105 PolarHBondContact OD1-N 3.1Å; D103-H106 PolarHBondContact OD1-N 3.42Å; D103-H106 VanDerWaalsContact OD1-N 3.15Å; D103-H106 IonicContact OD1-ND1 2.76Å; D103-H106 IonicContact OD2-CE1 2.98Å; D103-H106 IonicContact OD2-CG 2.69Å; D103-H106 IonicContact OD2-ND1 3.78Å; D103-H106 PolarHBondContact OD2-ND1 3.41Å |
| 104 | S | 70.7 | Confident | 72 | Confident | 27 Ų | 27 | 25.6 Ų | 25.6 | 19% | 0.189 | 12% | 0.117 | C | C | . | . | S | Bend | trans | 55.5 | 10.5 | -174.5 | 60.1 | 0 | 0 | 0 | 0 | 116.1 | Y28 F29 H34 T101 R102 | Y28-S104 WeakPolarHBondContact CD1-OG 3.46Å; F29-S104 WeakPolarHBondContact CD2-O 3.39Å; F29-S104 PolarHBondContact N-O 2.74Å; F29-S104 VanDerWaalsContact N-O 3.11Å; H34-S104 WeakPolarHBondContact NE2-CB 3.43Å; T101-S104 PolarHBondContact O-N 2.75Å; R102-S104 VanDerWaalsContact C-N 3.28Å |
| 105 | H | 74.5 | Confident | 72.3 | Confident | 47 Ų | 47 | 25.9 Ų | 25.9 | 22% | 0.218 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -100.5 | -28.7 | 177.9 | -75.1 | -47.2 | 0 | 0 | 0 | 112.9 | C27 Y28 F29 D103 C193 | C27-H105 PolarHBondContact O-CE1 3.47Å; C27-H105 PolarHBondContact O-ND1 2.88Å; Y28-H105 AromaticContact CD1-CE1 3.38Å; Y28-H105 WeakPolarHBondContact CD1-CE1 3.45Å; Y28-H105 AromaticContact CD1-ND1 3.73Å; Y28-H105 AromaticContact CD1-NE2 3.97Å; Y28-H105 AromaticContact CE1-CE1 3.04Å; Y28-H105 WeakPolarHBondContact CE1-CE1 3.32Å; Y28-H105 AromaticContact CE1-ND1 3.79Å; Y28-H105 AromaticContact CE1-NE2 3.22Å; Y28-H105 WeakPolarHBondContact CE1-NE2 3.34Å; Y28-H105 AromaticContact CZ-CE1 3.51Å; Y28-H105 AromaticContact CZ-NE2 3.67Å; F29-H105 WeakPolarHBondContact CE2-O 3.34Å; D103-H105 PolarHBondContact O-N 2.9Å; D103-H105 PolarHBondContact OD1-N 3.1Å; H105-C193 WeakPolarHBondContact O-CB 3.27Å; H105-C193 PolarHBondContact O-N 3.46Å |
| 106 | H | 78.9 | Confident | 72.5 | Confident | 46 Ų | 46 | 26.4 Ų | 26.4 | 21% | 0.213 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 157.1 | -179.5 | -56.7 | 95.6 | 0 | 0 | 0 | 112.9 | T101 D103 K190 L191 S192 | T101-H106 HydrophobicContact CG2-CB 4.43Å; T101-H106 PolarHBondContact N-O 2.75Å; T101-H106 VanDerWaalsContact N-O 3.15Å; T101-H106 VanDerWaalsContact OG1-CB 3.27Å; T101-H106 WeakPolarHBondContact OG1-CB 3.37Å; T101-H106 PolarHBondContact OG1-O 2.88Å; D103-H106 PolarHBondContact OD1-N 3.42Å; D103-H106 VanDerWaalsContact OD1-N 3.15Å; D103-H106 IonicContact OD1-ND1 2.76Å; D103-H106 IonicContact OD2-CE1 2.98Å; D103-H106 IonicContact OD2-CG 2.69Å; D103-H106 IonicContact OD2-ND1 3.78Å; D103-H106 PolarHBondContact OD2-ND1 3.41Å; H106-K190 WeakPolarHBondContact CD2-CE 3.46Å; H106-L191 VanDerWaalsContact CA-O 3.25Å; H106-L191 WeakPolarHBondContact CA-O 3.49Å; H106-S192 PolarHBondContact CD2-OG 3.14Å; H106-S192 PolarHBondContact NE2-OG 3.09Å |
| 107 | A | 79 | Confident | 72.2 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 166.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110 | F29 M98 L99 F100 L191 | F29-A107 HydrophobicContact CE2-CB 4.48Å; M98-A107 HydrophobicContact CG-CB 4.02Å; L99-A107 CarbonylContact O-C 3.5Å; L99-A107 WeakPolarHBondContact O-CA 3.16Å; L99-A107 WeakPolarHBondContact O-CB 3.36Å; F100-A107 HydrophobicContact CD1-CB 3.78Å; F100-A107 HydrophobicContact CE1-CB 3.81Å; F100-A107 HydrophobicContact CG-CB 4.15Å; F100-A107 HydrophobicContact CZ-CB 4.18Å; A107-L191 HydrophobicContact CB-CB 4.09Å; A107-L191 HydrophobicContact CB-CD2 4.18Å; A107-L191 PolarHBondContact N-O 2.92Å; A107-L191 WeakPolarHBondContact O-CB 3.46Å; A107-L191 PolarHBondContact O-N 2.85Å |
| 108 | W | 78.4 | Confident | 71.4 | Confident | 16 Ų | 16 | 35 Ų | 35 | 6% | 0.061 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 117.4 | 176 | -70.5 | 89.8 | 0 | 0 | 0 | 109.4 | P78 E80 L81 M98 L99 F110 Y188 V189 K190 | P78-W108 HydrophobicContact CB-CH2 3.71Å; P78-W108 HydrophobicContact CB-CZ2 3.89Å; P78-W108 HydrophobicContact CB-CZ3 4.47Å; P78-W108 HydrophobicContact CG-CE3 4.39Å; P78-W108 HydrophobicContact CG-CH2 3.31Å; P78-W108 HydrophobicContact CG-CZ2 3.9Å; P78-W108 HydrophobicContact CG-CZ3 3.6Å; E80-W108 WeakPolarHBondContact OE2-CZ2 3.35Å; L81-W108 HydrophobicContact CD1-CD2 3.86Å; L81-W108 HydrophobicContact CD1-CE3 4.34Å; L81-W108 HydrophobicContact CD1-CG 3.96Å; L81-W108 HydrophobicContact CD1-CZ2 4.49Å; L81-W108 HydrophobicContact CD2-CG 4.23Å; M98-W108 WeakPolarHBondContact CA-O 3.49Å; L99-W108 PolarHBondContact N-O 2.75Å; L99-W108 PolarHBondContact O-N 2.92Å; W108-F110 HydrophobicContact CB-CD2 4.43Å; W108-F110 HydrophobicContact CB-CE2 3.59Å; W108-F110 HydrophobicContact CB-CZ 3.77Å; W108-F110 WeakPolarHBondContact O-CD2 3.49Å; W108-F110 WeakPolarHBondContact O-CE2 3.38Å; W108-Y188 HydrophobicContact CE3-CD2 4.03Å; W108-Y188 AromaticContact CZ3-CD2 3.72Å; W108-Y188 HydrophobicContact CZ3-CD2 3.72Å; W108-Y188 AromaticContact CZ3-CE2 3.97Å; W108-Y188 HydrophobicContact CZ3-CE2 3.97Å; W108-V189 WeakPolarHBondContact CA-O 3.48Å; W108-K190 HydrophobicContact CD2-CB 4.22Å; W108-K190 HydrophobicContact CD2-CG 4.3Å; W108-K190 HydrophobicContact CE3-CB 3.89Å; W108-K190 HydrophobicContact CE3-CG 4.46Å; W108-K190 HydrophobicContact CH2-CB 3.79Å; W108-K190 HydrophobicContact CH2-CD 3.87Å; W108-K190 HydrophobicContact CH2-CG 4.12Å; W108-K190 HydrophobicContact CZ2-CB 4.14Å; W108-K190 HydrophobicContact CZ2-CD 3.59Å; W108-K190 HydrophobicContact CZ2-CG 3.95Å; W108-K190 HydrophobicContact CZ3-CB 3.65Å; W108-K190 HydrophobicContact CZ3-CG 4.36Å |
| 109 | L | 80.6 | Confident | 70.3 | Confident | 6 Ų | 6 | 35.9 Ų | 35.9 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 116 | 175.9 | -179.4 | 65.2 | 0 | 0 | 0 | 109.1 | L96 Q97 Y188 V189 Y206 W261 | L96-L109 HydrophobicContact CB-CD1 4.18Å; L96-L109 HydrophobicContact CD1-CD1 4.47Å; Q97-L109 CarbonylContact O-C 3.48Å; Q97-L109 WeakPolarHBondContact O-CA 3.48Å; L109-Y188 CarbonylContact O-C 3.47Å; L109-Y188 VanDerWaalsContact O-CA 3.27Å; L109-Y188 WeakPolarHBondContact O-CA 3.38Å; L109-V189 PolarHBondContact N-O 3.05Å; L109-V189 PolarHBondContact O-N 2.91Å; L109-Y206 HydrophobicContact CD2-CE1 4.14Å; L109-W261 HydrophobicContact CD1-CH2 3.97Å |
| 110 | F | 75.7 | Confident | 68.9 | Low | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 146.3 | 174.9 | -51.4 | -98.4 | 0 | 0 | 0 | 111 | L77 L81 F86 F88 L91 Q97 L99 W108 L186 G187 | L77-F110 HydrophobicContact CD2-CE1 4.26Å; L81-F110 HydrophobicContact CD1-CE1 4.28Å; L81-F110 HydrophobicContact CD1-CZ 3.77Å; F86-F110 HydrophobicContact CD1-CZ 4.26Å; F86-F110 HydrophobicContact CE1-CE1 4.31Å; F86-F110 AromaticContact CE1-CE2 3.97Å; F86-F110 HydrophobicContact CE1-CE2 3.97Å; F86-F110 AromaticContact CE1-CZ 3.57Å; F86-F110 HydrophobicContact CE1-CZ 3.57Å; F86-F110 HydrophobicContact CZ-CZ 4.35Å; F88-F110 AromaticContact CE1-CD1 3.82Å; F88-F110 HydrophobicContact CE1-CD1 3.82Å; F88-F110 AromaticContact CE1-CE1 3.98Å; F88-F110 HydrophobicContact CE1-CE1 3.98Å; F88-F110 HydrophobicContact CE1-CG 4.23Å; F88-F110 HydrophobicContact CZ-CD1 4.48Å; F88-F110 HydrophobicContact CZ-CE1 4.3Å; L91-F110 HydrophobicContact CD1-CB 3.68Å; Q97-F110 HydrophobicContact CB-CB 4.23Å; Q97-F110 HydrophobicContact CB-CD2 4.22Å; Q97-F110 HydrophobicContact CG-CD2 4.21Å; Q97-F110 PolarHBondContact N-O 2.98Å; Q97-F110 PolarHBondContact O-N 2.77Å; L99-F110 HydrophobicContact CB-CE2 4.07Å; W108-F110 HydrophobicContact CB-CD2 4.43Å; W108-F110 HydrophobicContact CB-CE2 3.59Å; W108-F110 HydrophobicContact CB-CZ 3.77Å; W108-F110 WeakPolarHBondContact O-CD2 3.49Å; W108-F110 WeakPolarHBondContact O-CE2 3.38Å; F110-L186 HydrophobicContact CB-CD2 4.43Å; F110-L186 HydrophobicContact CD1-CD2 4.09Å; F110-G187 WeakPolarHBondContact CA-O 3.31Å |
| 111 | L | 73.9 | Confident | 67.6 | Low | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 152.2 | -177.2 | 60.4 | 81.4 | 0 | 0 | 0 | 111.6 | L96 C113 I116 L132 C136 L186 G187 | L96-L111 HydrophobicContact CD2-CB 3.53Å; L111-C113 VanDerWaalsContact CD1-SG 3.55Å; L111-I116 HydrophobicContact CD1-CG1 3.93Å; L111-I116 HydrophobicContact CD2-CG1 4.4Å; L111-L132 HydrophobicContact CD2-CB 4.13Å; L111-L132 HydrophobicContact CD2-CD1 4.09Å; L111-L132 HydrophobicContact CD2-CD2 3.72Å; L111-L132 HydrophobicContact CD2-CG 4.17Å; L111-C136 VanDerWaalsContact CD1-SG 3.5Å; L111-L186 WeakPolarHBondContact O-CA 3.41Å; L111-L186 WeakPolarHBondContact O-CD1 3.43Å; L111-L186 WeakPolarHBondContact O-CG 3.4Å; L111-G187 PolarHBondContact N-O 2.88Å; L111-G187 PolarHBondContact O-N 2.86Å |
| 112 | S | 71.9 | Confident | 66.5 | Low | 4 Ų | 4 | 52.2 Ų | 52.2 | 3% | 0.028 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 120.1 | 168.3 | 167.6 | 0 | 0 | 0 | 0 | 110.2 | L91 H114 H115 I116 | L91-S112 WeakPolarHBondContact O-CB 3.44Å; S112-H114 VanDerWaalsContact C-N 3.27Å; S112-H114 PolarHBondContact O-N 2.82Å; S112-H115 PolarHBondContact O-N 2.22Å; S112-H115 PolarHBondContact OG-CD2 3.27Å; S112-I116 PolarHBondContact O-N 3.31Å |
| 113 | C | 70.3 | Confident | 65.6 | Low | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.6 | -24.5 | -178.6 | -80.5 | 0 | 0 | 0 | 0 | 113.2 | L111 H115 I116 L117 C136 S185 | L111-C113 VanDerWaalsContact CD1-SG 3.55Å; C113-H115 VanDerWaalsContact C-N 3.29Å; C113-H115 PolarHBondContact O-N 2.04Å; C113-I116 PolarHBondContact O-N 3Å; C113-L117 WeakPolarHBondContact O-CB 3.39Å; C113-L117 VanDerWaalsContact O-CG 3.27Å; C113-L117 WeakPolarHBondContact O-CG 3.43Å; C113-L117 PolarHBondContact O-N 2.74Å; C113-C136 WeakPolarHBondContact CA-SG 3.48Å; C113-C136 HydrophobicContact CB-CB 3.48Å; C113-C136 VanDerWaalsContact CB-CB 3.48Å; C113-C136 WeakPolarHBondContact CB-SG 3.42Å; C113-C136 WeakPolarHBondContact SG-CA 3.38Å; C113-C136 WeakPolarHBondContact SG-CB 3.34Å; C113-C136 CovalentContact SG-SG 2.04Å; C113-C136 PolarHBondContact SG-SG 2.92Å; C113-S185 WeakPolarHBondContact CB-O 3.42Å; C113-S185 WeakPolarHBondContact CB-OG 3.34Å; C113-S185 PolarHBondContact N-O 3.18Å |
| 114 | H | 67.8 | Low | 64.6 | Low | 47 Ų | 47 | 41.4 Ų | 41.4 | 22% | 0.218 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.8 | -44 | 169.9 | 179.7 | 85.5 | 0 | 0 | 0 | 111.2 | S112 Y118 T184 | S112-H114 VanDerWaalsContact C-N 3.27Å; S112-H114 PolarHBondContact O-N 2.82Å; H114-Y118 HydrophobicContact CB-CD2 4.37Å; H114-Y118 AromaticContact CE1-CD2 3.75Å; H114-Y118 AromaticContact CG-CD2 3.88Å; H114-Y118 AromaticContact ND1-CD2 3.36Å; H114-Y118 WeakPolarHBondContact ND1-CD2 3.15Å; H114-Y118 AromaticContact ND1-CE2 3.79Å; H114-Y118 WeakPolarHBondContact O-CB 3.46Å; H114-Y118 WeakPolarHBondContact O-CD2 3.41Å; H114-Y118 PolarHBondContact O-N 3.41Å; H114-T184 HydrophobicContact CB-CG2 3.9Å |
| 115 | H | 61.5 | Low | 63.9 | Low | 8 Ų | 8 | 40.6 Ų | 40.6 | 4% | 0.037 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -73.6 | -40.1 | -178.2 | -66 | -56.7 | 0 | 0 | 0 | 112.5 | L47 Q92 G94 S112 C113 L117 T119 | L47-H115 WeakPolarHBondContact CD1-CE1 3.42Å; Q92-H115 PolarHBondContact O-NE2 3.29Å; G94-H115 WeakPolarHBondContact CA-CD2 3.09Å; G94-H115 PolarHBondContact N-CD2 3.28Å; G94-H115 VanDerWaalsContact N-CD2 3.29Å; G94-H115 PolarHBondContact N-NE2 3.17Å; S112-H115 PolarHBondContact O-N 2.22Å; S112-H115 PolarHBondContact OG-CD2 3.27Å; C113-H115 VanDerWaalsContact C-N 3.29Å; C113-H115 PolarHBondContact O-N 2.04Å; H115-L117 VanDerWaalsContact C-N 3.31Å; H115-L117 PolarHBondContact O-N 3.35Å; H115-T119 HydrophobicContact CB-CG2 4.37Å; H115-T119 WeakPolarHBondContact ND1-CG2 3.07Å; H115-T119 PolarHBondContact O-N 3.33Å; H115-T119 PolarHBondContact O-OG1 3.29Å |
| 116 | I | 65.9 | Low | 63.2 | Low | 17 Ų | 17 | 41.7 Ų | 41.7 | 9% | 0.087 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.3 | -34.2 | 175.1 | -63.1 | -60.6 | 0 | 0 | 0 | 112.9 | L111 S112 C113 I123 L132 | L111-I116 HydrophobicContact CD1-CG1 3.93Å; L111-I116 HydrophobicContact CD2-CG1 4.4Å; S112-I116 PolarHBondContact O-N 3.31Å; C113-I116 PolarHBondContact O-N 3Å; I116-I123 HydrophobicContact CD1-CD1 3.72Å; I116-I123 HydrophobicContact CD1-CG1 4.06Å; I116-I123 HydrophobicContact CD1-CG2 4.5Å; I116-I123 HydrophobicContact CG2-CD1 4.28Å; I116-L132 HydrophobicContact CD1-CD1 4.47Å; I116-L132 HydrophobicContact CG2-CB 4.25Å |
| 117 | L | 65.1 | Low | 62.7 | Low | 59 Ų | 59 | 40.7 Ų | 40.7 | 31% | 0.309 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -89.5 | -41.8 | -177.4 | -66 | 176 | 0 | 0 | 0 | 113.7 | C113 H115 T133 C136 | C113-L117 WeakPolarHBondContact O-CB 3.39Å; C113-L117 VanDerWaalsContact O-CG 3.27Å; C113-L117 WeakPolarHBondContact O-CG 3.43Å; C113-L117 PolarHBondContact O-N 2.74Å; H115-L117 VanDerWaalsContact C-N 3.31Å; H115-L117 PolarHBondContact O-N 3.35Å; L117-T133 HydrophobicContact CD2-CG2 4.02Å; L117-C136 HydrophobicContact CD1-CB 3.94Å; L117-C136 HydrophobicContact CD2-CB 4.05Å; L117-C136 HydrophobicContact CG-CB 3.89Å |
| 118 | Y | 55.6 | Low | 62.4 | Low | 133 Ų | 133 | 40.7 Ų | 40.7 | 52% | 0.522 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -107.2 | -23.1 | -167.6 | -54.2 | -66.5 | 0 | 0 | 0 | 114.9 | H114 | H114-Y118 HydrophobicContact CB-CD2 4.37Å; H114-Y118 AromaticContact CE1-CD2 3.75Å; H114-Y118 AromaticContact CG-CD2 3.88Å; H114-Y118 AromaticContact ND1-CD2 3.36Å; H114-Y118 WeakPolarHBondContact ND1-CD2 3.15Å; H114-Y118 AromaticContact ND1-CE2 3.79Å; H114-Y118 WeakPolarHBondContact O-CB 3.46Å; H114-Y118 WeakPolarHBondContact O-CD2 3.41Å; H114-Y118 PolarHBondContact O-N 3.41Å |
| 119 | T | 53.1 | Low | 62 | Low | 27 Ų | 27 | 44.2 Ų | 44.2 | 17% | 0.166 | 22% | 0.215 | C | C | . | . | trans | -85 | 123 | 175.7 | 72.3 | 0 | 0 | 0 | 0 | 110.7 | H115 H121 | H115-T119 HydrophobicContact CB-CG2 4.37Å; H115-T119 WeakPolarHBondContact ND1-CG2 3.07Å; H115-T119 PolarHBondContact O-N 3.33Å; H115-T119 PolarHBondContact O-OG1 3.29Å; T119-H121 VanDerWaalsContact C-N 3.3Å; T119-H121 PolarHBondContact O-N 3.42Å | ||
| 120 | K | 45.1 | Very low | 61.5 | Low | 176 Ų | 176 | 52.2 Ų | 52.2 | 77% | 0.765 | 25% | 0.252 | S | S | * | . | trans | -79.1 | -3.5 | -171.4 | -84 | -172.4 | 174.7 | -178.8 | 0 | 115.5 | ||||
| 121 | H | 46.5 | Very low | 61.5 | Low | 62 Ų | 62 | 53 Ų | 53 | 29% | 0.287 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -79.5 | 168.6 | -171.5 | -56.8 | -63.1 | 0 | 0 | 0 | 112.2 | Y45 T119 I123 N427 S429 | Y45-H121 HydrophobicContact CE1-CB 4.24Å; T119-H121 VanDerWaalsContact C-N 3.3Å; T119-H121 PolarHBondContact O-N 3.42Å; H121-I123 PolarHBondContact O-N 3.06Å; H121-N427 PolarHBondContact CE1-O 2.99Å; H121-N427 PolarHBondContact ND1-O 3.19Å; H121-S429 PolarHBondContact NE2-N 3.25Å |
| 122 | L | 46 | Very low | 61.5 | Low | 142 Ų | 142 | 53 Ų | 53 | 74% | 0.743 | 26% | 0.255 | S | S | * | . | trans | -72.4 | 98.6 | -172.2 | -84.1 | 71.2 | 0 | 0 | 0 | 110.8 | L124 | L122-L124 PolarHBondContact O-N 3.05Š| ||
| 123 | I | 47.2 | Very low | 61.6 | Low | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | trans | -52 | 108.3 | 157.9 | -63.2 | 160.3 | 0 | 0 | 0 | 107.2 | I116 H121 L125 T126 K129 | I116-I123 HydrophobicContact CD1-CD1 3.72Å; I116-I123 HydrophobicContact CD1-CG1 4.06Å; I116-I123 HydrophobicContact CD1-CG2 4.5Å; I116-I123 HydrophobicContact CG2-CD1 4.28Å; H121-I123 PolarHBondContact O-N 3.06Å; I123-L125 HydrophobicContact CG2-CB 4.05Å; I123-L125 HydrophobicContact CG2-CD1 4.19Å; I123-L125 CarbonylContact O-C 3.57Å; I123-L125 PolarHBondContact O-N 3.03Å; I123-T126 WeakPolarHBondContact O-CG2 3.32Å; I123-T126 PolarHBondContact O-N 3.24Å; I123-K129 HydrophobicContact CD1-CD 4.18Å; I123-K129 HydrophobicContact CD1-CG 4.01Å | ||
| 124 | L | 50 | Low | 61.7 | Low | 47 Ų | 47 | 56.8 Ų | 56.8 | 25% | 0.246 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -52.2 | -33.2 | -177.8 | -109.2 | 149.3 | 0 | 0 | 0 | 112.2 | L122 T126 K255 D257 | L122-L124 PolarHBondContact O-N 3.05Å; L124-T126 PolarHBondContact O-N 3.4Å; L124-K255 PolarHBondContact O-NZ 2.87Å; L124-D257 HydrophobicContact CD2-CB 4.27Å |
| 125 | L | 55.2 | Low | 61.8 | Low | 10 Ų | 10 | 54.9 Ų | 54.9 | 5% | 0.052 | 27% | 0.271 | C | S | . | . | trans | -74 | 48.6 | 167.3 | -46.1 | 109.3 | 0 | 0 | 0 | 112.3 | L96 I123 S127 L128 K129 L236 | L96-L125 HydrophobicContact CD1-CD1 3.75Å; I123-L125 HydrophobicContact CG2-CB 4.05Å; I123-L125 HydrophobicContact CG2-CD1 4.19Å; I123-L125 CarbonylContact O-C 3.57Å; I123-L125 PolarHBondContact O-N 3.03Å; L125-S127 PolarHBondContact O-N 3.32Å; L125-S127 VanDerWaalsContact O-N 3.11Å; L125-L128 HydrophobicContact CB-CB 4.15Å; L125-L128 HydrophobicContact CD2-CD1 3.89Å; L125-L128 CarbonylContact O-C 3.59Å; L125-L128 WeakPolarHBondContact O-CA 3.36Å; L125-L128 PolarHBondContact O-N 3.09Å; L125-K129 PolarHBondContact O-N 3.48Å; L125-L236 HydrophobicContact CB-CD1 4.24Å; L125-L236 HydrophobicContact CD2-CD1 3.69Å; L125-L236 HydrophobicContact CG-CD1 3.67Å | ||
| 126 | T | 60.4 | Low | 62.2 | Low | 70 Ų | 70 | 54.6 Ų | 54.6 | 43% | 0.429 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -56.1 | -32.1 | -179.6 | 62.4 | 0 | 0 | 0 | 0 | 112.3 | I123 L124 L128 K129 K255 | I123-T126 WeakPolarHBondContact O-CG2 3.32Å; I123-T126 PolarHBondContact O-N 3.24Å; L124-T126 PolarHBondContact O-N 3.4Å; T126-L128 VanDerWaalsContact C-N 3.3Å; T126-L128 PolarHBondContact O-N 3.18Å; T126-K129 VanDerWaalsContact O-CB 3.31Å; T126-K129 WeakPolarHBondContact O-CB 3.42Å; T126-K129 PolarHBondContact O-N 2.93Å; T126-K255 PolarHBondContact OG1-NZ 2.92Å |
| 127 | S | 68.1 | Low | 62.2 | Low | 25 Ų | 25 | 57 Ų | 57 | 18% | 0.175 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -70.1 | -18 | 175 | 46.9 | 0 | 0 | 0 | 0 | 114.7 | L125 Q216 E238 T240 | L125-S127 PolarHBondContact O-N 3.32Å; L125-S127 VanDerWaalsContact O-N 3.11Å; S127-Q216 PolarHBondContact OG-NE2 3.04Å; S127-E238 VanDerWaalsContact CB-O 3.32Å; S127-E238 WeakPolarHBondContact CB-O 3.25Å; S127-T240 PolarHBondContact O-OG1 3.46Å |
| 128 | L | 71.7 | Confident | 61.7 | Low | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -105.9 | -2.9 | 167.9 | -63.3 | 178.8 | 0 | 0 | 0 | 112.7 | L125 T126 E130 Y131 L132 Y206 I214 T240 | L125-L128 HydrophobicContact CB-CB 4.15Å; L125-L128 HydrophobicContact CD2-CD1 3.89Å; L125-L128 CarbonylContact O-C 3.59Å; L125-L128 WeakPolarHBondContact O-CA 3.36Å; L125-L128 PolarHBondContact O-N 3.09Å; T126-L128 VanDerWaalsContact C-N 3.3Å; T126-L128 PolarHBondContact O-N 3.18Å; L128-E130 VanDerWaalsContact C-N 3.31Å; L128-E130 PolarHBondContact O-N 2.94Å; L128-Y131 CarbonylContact O-C 3.6Å; L128-Y131 WeakPolarHBondContact O-CA 3.31Å; L128-Y131 WeakPolarHBondContact O-CB 3.24Å; L128-Y131 PolarHBondContact O-N 2.85Å; L128-L132 HydrophobicContact CB-CD1 4.28Å; L128-L132 HydrophobicContact CB-CG 4.11Å; L128-L132 WeakPolarHBondContact O-CG 3.4Å; L128-L132 PolarHBondContact O-N 3.13Å; L128-Y206 HydrophobicContact CD1-CD1 4.11Å; L128-Y206 HydrophobicContact CD1-CD2 4.13Å; L128-Y206 HydrophobicContact CD1-CE1 3.78Å; L128-Y206 HydrophobicContact CD1-CE2 3.82Å; L128-Y206 HydrophobicContact CD1-CG 4.27Å; L128-Y206 HydrophobicContact CD2-CD2 4.38Å; L128-I214 HydrophobicContact CD2-CG2 3.98Å; L128-T240 HydrophobicContact CD2-CG2 3.87Å |
| 129 | K | 70.1 | Confident | 61.3 | Low | 90 Ų | 90 | 53.3 Ų | 53.3 | 39% | 0.391 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -51.8 | -48.8 | -171.9 | 177 | 172.8 | 178.5 | 174.2 | 0 | 112 | I123 L125 T126 Y131 L132 T133 | I123-K129 HydrophobicContact CD1-CD 4.18Å; I123-K129 HydrophobicContact CD1-CG 4.01Å; L125-K129 PolarHBondContact O-N 3.48Å; T126-K129 VanDerWaalsContact O-CB 3.31Å; T126-K129 WeakPolarHBondContact O-CB 3.42Å; T126-K129 PolarHBondContact O-N 2.93Å; K129-Y131 VanDerWaalsContact C-N 3.32Å; K129-Y131 PolarHBondContact O-N 3.13Å; K129-L132 PolarHBondContact O-N 2.99Å; K129-T133 VanDerWaalsContact O-CB 3.31Å; K129-T133 WeakPolarHBondContact O-CB 3.43Å; K129-T133 PolarHBondContact O-N 3.17Å; K129-T133 PolarHBondContact O-OG1 3.05Å |
| 130 | E | 70.6 | Confident | 60.7 | Low | 174 Ų | 174 | 58.4 Ų | 58.4 | 81% | 0.813 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.7 | -36.7 | 179.1 | -58.8 | -170.4 | 161.5 | 0 | 0 | 112.5 | L128 S134 | L128-E130 VanDerWaalsContact C-N 3.31Å; L128-E130 PolarHBondContact O-N 2.94Å; E130-S134 VanDerWaalsContact O-CB 3.3Å; E130-S134 WeakPolarHBondContact O-CB 3.45Å; E130-S134 PolarHBondContact O-N 2.85Å |
| 131 | Y | 75.1 | Confident | 60.1 | Low | 15 Ų | 15 | 58.2 Ų | 58.2 | 6% | 0.059 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.1 | -48.4 | 175.5 | -174 | -105.4 | 0 | 0 | 0 | 111.4 | L128 K129 S134 I135 V189 Y206 H208 R212 I214 | L128-Y131 CarbonylContact O-C 3.6Å; L128-Y131 WeakPolarHBondContact O-CA 3.31Å; L128-Y131 WeakPolarHBondContact O-CB 3.24Å; L128-Y131 PolarHBondContact O-N 2.85Å; K129-Y131 VanDerWaalsContact C-N 3.32Å; K129-Y131 PolarHBondContact O-N 3.13Å; Y131-S134 PolarHBondContact O-N 2.93Å; Y131-S134 VanDerWaalsContact O-N 3.16Å; Y131-S134 PolarHBondContact O-OG 3.31Å; Y131-I135 HydrophobicContact CD1-CD1 3.87Å; Y131-I135 HydrophobicContact CE1-CD1 3.76Å; Y131-I135 WeakPolarHBondContact O-CG1 3.49Å; Y131-I135 PolarHBondContact O-N 3.42Å; Y131-V189 HydrophobicContact CE1-CG1 4.14Å; Y131-V189 HydrophobicContact CE1-CG2 4.31Å; Y131-Y206 PolarHBondContact OH-O 2.83Å; Y131-H208 PolarHBondContact OH-N 2.83Å; Y131-H208 VanDerWaalsContact OH-N 3.1Å; Y131-R212 HydrophobicContact CE2-CB 4.33Å; Y131-R212 PolarHBondContact OH-O 3.28Å; Y131-I214 HydrophobicContact CD2-CD1 3.32Å; Y131-I214 HydrophobicContact CD2-CG1 3.93Å; Y131-I214 HydrophobicContact CE2-CD1 3.88Å; Y131-I214 HydrophobicContact CE2-CG1 3.93Å; Y131-I214 HydrophobicContact CG-CD1 3.74Å |
| 132 | L | 75.5 | Confident | 59.5 | Low | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66 | -41.2 | 178.1 | -54.7 | -178.7 | 0 | 0 | 0 | 111.8 | L111 I116 L128 K129 S134 I135 C136 V189 | L111-L132 HydrophobicContact CD2-CB 4.13Å; L111-L132 HydrophobicContact CD2-CD1 4.09Å; L111-L132 HydrophobicContact CD2-CD2 3.72Å; L111-L132 HydrophobicContact CD2-CG 4.17Å; I116-L132 HydrophobicContact CD1-CD1 4.47Å; I116-L132 HydrophobicContact CG2-CB 4.25Å; L128-L132 HydrophobicContact CB-CD1 4.28Å; L128-L132 HydrophobicContact CB-CG 4.11Å; L128-L132 WeakPolarHBondContact O-CG 3.4Å; L128-L132 PolarHBondContact O-N 3.13Å; K129-L132 PolarHBondContact O-N 2.99Å; L132-S134 VanDerWaalsContact C-N 3.32Å; L132-S134 PolarHBondContact O-N 3.29Å; L132-I135 HydrophobicContact CD2-CD1 4.33Å; L132-I135 PolarHBondContact O-N 2.84Å; L132-C136 PolarHBondContact O-N 3.36Å; L132-C136 PolarHBondContact O-SG 3.06Å; L132-C136 VanDerWaalsContact O-SG 3.36Å; L132-V189 HydrophobicContact CD2-CG2 4.29Å |
| 133 | T | 73 | Confident | 58.5 | Low | 45 Ų | 45 | 59.3 Ų | 59.3 | 28% | 0.276 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.6 | -41.5 | 170.4 | -64.4 | 0 | 0 | 0 | 0 | 111.3 | L117 K129 I135 C136 S137 | L117-T133 HydrophobicContact CD2-CG2 4.02Å; K129-T133 VanDerWaalsContact O-CB 3.31Å; K129-T133 WeakPolarHBondContact O-CB 3.43Å; K129-T133 PolarHBondContact O-N 3.17Å; K129-T133 PolarHBondContact O-OG1 3.05Å; T133-I135 VanDerWaalsContact C-N 3.32Å; T133-I135 PolarHBondContact O-N 3.34Å; T133-C136 PolarHBondContact O-N 2.95Å; T133-S137 WeakPolarHBondContact O-CB 3.36Å; T133-S137 PolarHBondContact O-N 2.96Å; T133-S137 PolarHBondContact O-OG 2.94Å |
| 134 | S | 71.7 | Confident | 57.6 | Low | 38 Ų | 38 | 69.6 Ų | 69.6 | 27% | 0.266 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.3 | -35.7 | 178.7 | 80.8 | 0 | 0 | 0 | 0 | 112.9 | E130 Y131 L132 S137 V138 | E130-S134 VanDerWaalsContact O-CB 3.3Å; E130-S134 WeakPolarHBondContact O-CB 3.45Å; E130-S134 PolarHBondContact O-N 2.85Å; Y131-S134 PolarHBondContact O-N 2.93Å; Y131-S134 VanDerWaalsContact O-N 3.16Å; Y131-S134 PolarHBondContact O-OG 3.31Å; L132-S134 VanDerWaalsContact C-N 3.32Å; L132-S134 PolarHBondContact O-N 3.29Å; S134-S137 WeakPolarHBondContact CA-OG 3.39Å; S134-S137 PolarHBondContact O-OG 3.32Å; S134-V138 WeakPolarHBondContact O-CG2 3.27Å |
| 135 | I | 71.3 | Confident | 56.6 | Low | 7 Ų | 7 | 77.7 Ų | 77.7 | 4% | 0.036 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.8 | -50.3 | 172.8 | -66.7 | 160.8 | 0 | 0 | 0 | 109.4 | Y131 L132 T133 S137 V138 V189 H208 | Y131-I135 HydrophobicContact CD1-CD1 3.87Å; Y131-I135 HydrophobicContact CE1-CD1 3.76Å; Y131-I135 WeakPolarHBondContact O-CG1 3.49Å; Y131-I135 PolarHBondContact O-N 3.42Å; L132-I135 HydrophobicContact CD2-CD1 4.33Å; L132-I135 PolarHBondContact O-N 2.84Å; T133-I135 VanDerWaalsContact C-N 3.32Å; T133-I135 PolarHBondContact O-N 3.34Å; I135-S137 VanDerWaalsContact C-N 3.31Å; I135-S137 PolarHBondContact O-N 2.8Å; I135-V138 WeakPolarHBondContact O-CB 3.5Å; I135-V138 PolarHBondContact O-N 2.87Å; I135-V138 VanDerWaalsContact O-N 3.14Å; I135-V189 HydrophobicContact CD1-CG2 3.52Å; I135-H208 HydrophobicContact CD1-CB 3.83Å; I135-H208 HydrophobicContact CG1-CB 3.99Å |
| 136 | C | 70 | Confident | 55.3 | Low | 2 Ų | 2 | 83.3 Ų | 83.3 | 1% | 0.014 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -67 | -27.7 | -178 | -66.6 | 0 | 0 | 0 | 0 | 114.6 | L111 C113 L117 L132 T133 V138 | L111-C136 VanDerWaalsContact CD1-SG 3.5Å; C113-C136 WeakPolarHBondContact CA-SG 3.48Å; C113-C136 HydrophobicContact CB-CB 3.48Å; C113-C136 VanDerWaalsContact CB-CB 3.48Å; C113-C136 WeakPolarHBondContact CB-SG 3.42Å; C113-C136 WeakPolarHBondContact SG-CA 3.38Å; C113-C136 WeakPolarHBondContact SG-CB 3.34Å; C113-C136 CovalentContact SG-SG 2.04Å; C113-C136 PolarHBondContact SG-SG 2.92Å; L117-C136 HydrophobicContact CD1-CB 3.94Å; L117-C136 HydrophobicContact CD2-CB 4.05Å; L117-C136 HydrophobicContact CG-CB 3.89Å; L132-C136 PolarHBondContact O-N 3.36Å; L132-C136 PolarHBondContact O-SG 3.06Å; L132-C136 VanDerWaalsContact O-SG 3.36Å; T133-C136 PolarHBondContact O-N 2.95Å; C136-V138 PolarHBondContact O-N 2.9Å |
| 137 | S | 64.5 | Low | 53.9 | Low | 67 Ų | 67 | 86.8 Ų | 86.8 | 47% | 0.469 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -6.3 | 174.8 | 64.4 | 0 | 0 | 0 | 0 | 114.8 | T133 S134 I135 | T133-S137 WeakPolarHBondContact O-CB 3.36Å; T133-S137 PolarHBondContact O-N 2.96Å; T133-S137 PolarHBondContact O-OG 2.94Å; S134-S137 WeakPolarHBondContact CA-OG 3.39Å; S134-S137 PolarHBondContact O-OG 3.32Å; I135-S137 VanDerWaalsContact C-N 3.31Å; I135-S137 PolarHBondContact O-N 2.8Å |
| 138 | V | 54.6 | Low | 52.2 | Low | 35 Ų | 35 | 89 Ų | 89 | 21% | 0.212 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -28.6 | -171.6 | 149.3 | 0 | 0 | 0 | 0 | 113.6 | S134 I135 C136 E140 K210 | S134-V138 WeakPolarHBondContact O-CG2 3.27Å; I135-V138 WeakPolarHBondContact O-CB 3.5Å; I135-V138 PolarHBondContact O-N 2.87Å; I135-V138 VanDerWaalsContact O-N 3.14Å; C136-V138 PolarHBondContact O-N 2.9Å; V138-E140 PolarHBondContact O-N 2.86Å; V138-K210 HydrophobicContact CG1-CD 4.44Å; V138-K210 HydrophobicContact CG2-CD 4.39Å; V138-K210 VanDerWaalsContact CG2-NZ 3.31Å |
| 139 | D | 48 | Very low | 50.3 | Low | 80 Ų | 80 | 94.1 Ų | 94.1 | 43% | 0.428 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -84.6 | -5.6 | -173.7 | -63.9 | -30.2 | 0 | 0 | 0 | 114.1 | Q141 T142 | D139-Q141 PolarHBondContact O-N 2.97Å; D139-Q141 VanDerWaalsContact O-N 3.1Å; D139-T142 WeakPolarHBondContact O-CG2 3.2Å; D139-T142 PolarHBondContact O-N 2.82Å; D139-T142 PolarHBondContact O-OG1 2.8Å |
| 140 | E | 39.8 | Very low | 48.4 | Very low | 135 Ų | 135 | 97.8 Ų | 97.8 | 63% | 0.631 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -67.7 | -1.3 | 172.7 | -71.1 | -165.3 | 151.5 | 0 | 0 | 113.7 | V138 T142 | V138-E140 PolarHBondContact O-N 2.86Å; E140-T142 PolarHBondContact O-N 3.33Å; E140-T142 VanDerWaalsContact O-N 3.13Å |
| 141 | Q | 33.5 | Very low | 46.4 | Very low | 172 Ų | 172 | 95.5 Ų | 95.5 | 80% | 0.804 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -73.2 | 10.7 | 168.1 | -65.4 | -158.9 | -40.3 | 0 | 0 | 113.9 | D139 T143 | D139-Q141 PolarHBondContact O-N 2.97Å; D139-Q141 VanDerWaalsContact O-N 3.1Å; Q141-T143 PolarHBondContact O-N 2.76Å |
| 142 | T | 32.6 | Very low | 44.1 | Very low | 109 Ų | 109 | 101.2 Ų | 101.2 | 67% | 0.669 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -73.7 | 62.1 | 175.8 | 34.8 | 0 | 0 | 0 | 0 | 113.6 | D139 E140 Y144 | D139-T142 WeakPolarHBondContact O-CG2 3.2Å; D139-T142 PolarHBondContact O-N 2.82Å; D139-T142 PolarHBondContact O-OG1 2.8Å; E140-T142 PolarHBondContact O-N 3.33Å; E140-T142 VanDerWaalsContact O-N 3.13Å; T142-Y144 PolarHBondContact O-N 3.24Å |
| 143 | T | 25.2 | Very low | 41.7 | Very low | 118 Ų | 118 | 108 Ų | 108 | 72% | 0.724 | 56% | 0.564 | S | S | * | * | trans | 30.3 | 83.5 | 152.9 | 55.5 | 0 | 0 | 0 | 0 | 118 | Q141 R145 | Q141-T143 PolarHBondContact O-N 2.76Å; T143-R145 PolarHBondContact O-N 2.77Å | ||
| 144 | Y | 29.4 | Very low | 39.4 | Very low | 221 Ų | 221 | 116.4 Ų | 116.4 | 87% | 0.867 | 59% | 0.59 | S | S | * | * | trans | -68.3 | 98.2 | 163.2 | -95.7 | -91.5 | 0 | 0 | 0 | 111.3 | T142 N146 | T142-Y144 PolarHBondContact O-N 3.24Å; Y144-N146 PolarHBondContact O-N 3Å; Y144-N146 VanDerWaalsContact O-N 3.1Å | ||
| 145 | R | 27.5 | Very low | 37.1 | Very low | 218 Ų | 218 | 123 Ų | 123 | 82% | 0.823 | 62% | 0.615 | S | S | * | * | trans | -78.9 | 85.8 | 168.2 | -174.5 | -180 | 179 | 157.5 | 4.9 | 109.9 | T143 N147 | T143-R145 PolarHBondContact O-N 2.77Å; R145-N147 PolarHBondContact O-N 3.28Å | ||
| 146 | N | 29.4 | Very low | 34.7 | Very low | 128 Ų | 128 | 127 Ų | 127 | 68% | 0.684 | 64% | 0.643 | S | S | * | * | trans | -73.1 | 117 | 175.6 | -160.1 | 10.2 | 0 | 0 | 0 | 110.1 | Y144 S148 | Y144-N146 PolarHBondContact O-N 3Å; Y144-N146 VanDerWaalsContact O-N 3.1Å; N146-S148 PolarHBondContact O-N 3.33Å | ||
| 147 | N | 30.1 | Very low | 32.7 | Very low | 142 Ų | 142 | 133.3 Ų | 133.3 | 76% | 0.759 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -82.6 | 33.2 | -167.9 | -109 | 7.1 | 0 | 0 | 0 | 113.8 | R145 | R145-N147 PolarHBondContact O-N 3.28Š|
| 148 | S | 32 | Very low | 30.8 | Very low | 71 Ų | 71 | 135.6 Ų | 135.6 | 50% | 0.497 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -141.1 | 122.8 | -179.3 | 60.2 | 0 | 0 | 0 | 0 | 111.5 | N146 | N146-S148 PolarHBondContact O-N 3.33Š|
| 149 | S | 31.5 | Very low | 29.4 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 76% | 0.762 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 73.3 | 140.2 | -172.9 | 81.6 | 0 | 0 | 0 | 0 | 115.9 | N151 | S149-N151 PolarHBondContact O-N 3.13Š|
| 150 | N | 30.6 | Very low | 28.4 | Very low | 167 Ų | 167 | 142.8 Ų | 142.8 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -87.8 | 12.7 | -168.1 | -78.8 | -10.4 | 0 | 0 | 0 | 115.2 | ||
| 151 | N | 28.9 | Very low | 27.7 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 67% | 0.668 | 75% | 0.751 | S | S | * | * | trans | -102.5 | 106.2 | -175.2 | -73.5 | -0.4 | 0 | 0 | 0 | 111.8 | S149 H153 | S149-N151 PolarHBondContact O-N 3.13Å; N151-H153 PolarHBondContact O-N 2.82Å; N151-H153 VanDerWaalsContact O-N 3.1Å | ||
| 152 | I | 27.7 | Very low | 27.3 | Very low | 136 Ų | 136 | 144.9 Ų | 144.9 | 70% | 0.697 | 75% | 0.753 | S | S | * | * | trans | -75.7 | 95.7 | 175.2 | -54.2 | 174.7 | 0 | 0 | 0 | 109.5 | W154 | I152-W154 HydrophobicContact CG2-CD2 4.34Å; I152-W154 HydrophobicContact CG2-CZ2 4.01Å | ||
| 153 | H | 24 | Very low | 26.9 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | trans | -95.8 | 110.3 | 169 | -86.5 | -75.4 | 0 | 0 | 0 | 111.6 | N151 F155 | N151-H153 PolarHBondContact O-N 2.82Å; N151-H153 VanDerWaalsContact O-N 3.1Å; H153-F155 HydrophobicContact CB-CD2 4.24Å; H153-F155 HydrophobicContact CB-CE2 3.82Å; H153-F155 PolarHBondContact O-N 3.01Å | ||
| 154 | W | 24.4 | Very low | 26.9 | Very low | 222 Ų | 222 | 148.4 Ų | 148.4 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | trans | -78.1 | 110.3 | 171.5 | -56.7 | 94.9 | 0 | 0 | 0 | 110.3 | I152 | I152-W154 HydrophobicContact CG2-CD2 4.34Å; I152-W154 HydrophobicContact CG2-CZ2 4.01Å | ||
| 155 | F | 23.2 | Very low | 27 | Very low | 178 Ų | 178 | 146 Ų | 146 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | trans | -96.6 | 102.6 | 173.9 | -81.3 | -79.3 | 0 | 0 | 0 | 111.6 | H153 T157 | H153-F155 HydrophobicContact CB-CD2 4.24Å; H153-F155 HydrophobicContact CB-CE2 3.82Å; H153-F155 PolarHBondContact O-N 3.01Å; F155-T157 PolarHBondContact O-N 2.93Å | ||
| 156 | S | 22.7 | Very low | 26.9 | Very low | 90 Ų | 90 | 139.9 Ų | 139.9 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | trans | -76.4 | 100.1 | 164.1 | 177.3 | 0 | 0 | 0 | 0 | 109.5 | T158 | S156-T158 PolarHBondContact O-N 3.3Å; S156-T158 PolarHBondContact O-OG1 3.45Å; S156-T158 WeakPolarHBondContact OG-CG2 3.06Å; S156-T158 PolarHBondContact OG-OG1 2.84Å | ||
| 157 | T | 27.5 | Very low | 26.8 | Very low | 134 Ų | 134 | 142.3 Ų | 142.3 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | trans | -77.5 | 45.9 | 173.9 | 42.9 | 0 | 0 | 0 | 0 | 112.5 | F155 N159 | F155-T157 PolarHBondContact O-N 2.93Å; T157-N159 PolarHBondContact O-N 3.19Å | ||
| 158 | T | 24.7 | Very low | 26.8 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 71% | 0.712 | 73% | 0.733 | S | S | * | * | trans | -70.1 | 77.2 | 167.8 | 41.1 | 0 | 0 | 0 | 0 | 110.4 | S156 | S156-T158 PolarHBondContact O-N 3.3Å; S156-T158 PolarHBondContact O-OG1 3.45Å; S156-T158 WeakPolarHBondContact OG-CG2 3.06Å; S156-T158 PolarHBondContact OG-OG1 2.84Å | ||
| 159 | N | 25 | Very low | 26.6 | Very low | 151 Ų | 151 | 144.9 Ų | 144.9 | 81% | 0.807 | 75% | 0.746 | S | S | * | * | trans | -151.2 | 120.1 | 163.9 | -119.9 | -39 | 0 | 0 | 0 | 112.7 | T157 R161 | T157-N159 PolarHBondContact O-N 3.19Å; N159-R161 PolarHBondContact O-N 2.83Å | ||
| 160 | S | 26.4 | Very low | 26.4 | Very low | 115 Ų | 115 | 149.2 Ų | 149.2 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -75 | 100.2 | 178.5 | 39.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 161 | R | 25.1 | Very low | 26.2 | Very low | 229 Ų | 229 | 148.2 Ų | 148.2 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | trans | -153 | 127.5 | 160.6 | -107.4 | 159.3 | -159.5 | -154.1 | 2.5 | 111.2 | N159 M163 | N159-R161 PolarHBondContact O-N 2.83Å; R161-M163 PolarHBondContact O-N 3.38Å | ||
| 162 | S | 25.3 | Very low | 26.4 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | trans | -67.6 | 88.9 | 171.3 | 52.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 163 | M | 24.5 | Very low | 26.3 | Very low | 160 Ų | 160 | 150.1 Ų | 150.1 | 79% | 0.788 | 74% | 0.742 | S | S | * | * | trans | -70.3 | 137.8 | 170.3 | -80.4 | -155.5 | 172.3 | 0 | 0 | 110.8 | R161 Y165 | R161-M163 PolarHBondContact O-N 3.38Å; M163-Y165 PolarHBondContact O-N 2.99Å | ||
| 164 | N | 25.1 | Very low | 26.4 | Very low | 141 Ų | 141 | 151.2 Ų | 151.2 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | trans | -70.5 | 92.1 | 173.2 | -82.2 | -37.5 | 0 | 0 | 0 | 110.3 | T166 K167 | N164-T166 PolarHBondContact O-N 2.8Å; N164-K167 PolarHBondContact O-N 2.85Å | ||
| 165 | Y | 30.8 | Very low | 26.5 | Very low | 169 Ų | 169 | 148.1 Ų | 148.1 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -59.3 | -9.1 | 178.8 | -96.5 | -96 | 0 | 0 | 0 | 114.8 | M163 K167 L168 | M163-Y165 PolarHBondContact O-N 2.99Å; Y165-K167 PolarHBondContact O-N 2.8Å; Y165-K167 VanDerWaalsContact O-N 3.11Å; Y165-L168 HydrophobicContact CD1-CD1 3.91Å; Y165-L168 HydrophobicContact CE1-CD1 3.83Å; Y165-L168 PolarHBondContact O-N 3.13Å |
| 166 | T | 27 | Very low | 26.8 | Very low | 90 Ų | 90 | 143.7 Ų | 143.7 | 55% | 0.552 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -56.1 | -22 | 169.5 | 42.1 | 0 | 0 | 0 | 0 | 113.7 | N164 | N164-T166 PolarHBondContact O-N 2.8Š|
| 167 | K | 26.8 | Very low | 26.9 | Very low | 179 Ų | 179 | 147.7 Ų | 147.7 | 78% | 0.778 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -78.7 | -13 | 179.8 | -141.7 | 176.1 | -174.8 | -177.6 | 0 | 114.7 | N164 Y165 | N164-K167 PolarHBondContact O-N 2.85Å; Y165-K167 PolarHBondContact O-N 2.8Å; Y165-K167 VanDerWaalsContact O-N 3.11Å |
| 168 | L | 29.6 | Very low | 26.9 | Very low | 108 Ų | 108 | 146.6 Ų | 146.6 | 57% | 0.565 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -30.5 | -179.4 | -111.6 | 159 | 0 | 0 | 0 | 113.2 | Y165 Y170 N171 | Y165-L168 HydrophobicContact CD1-CD1 3.91Å; Y165-L168 HydrophobicContact CE1-CD1 3.83Å; Y165-L168 PolarHBondContact O-N 3.13Å; L168-Y170 PolarHBondContact O-N 2.92Å; L168-N171 PolarHBondContact O-N 3.36Å |
| 169 | M | 27.8 | Very low | 27 | Very low | 159 Ų | 159 | 148 Ų | 148 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -19 | 178.5 | -78 | -69.8 | -68.5 | 0 | 0 | 114.3 | ||
| 170 | Y | 27.4 | Very low | 27.2 | Very low | 200 Ų | 200 | 145.2 Ų | 145.2 | 78% | 0.784 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -11.7 | -178.2 | -93.1 | -79.5 | 0 | 0 | 0 | 114.8 | L168 | L168-Y170 PolarHBondContact O-N 2.92Š|
| 171 | N | 26.8 | Very low | 27.5 | Very low | 147 Ų | 147 | 144.3 Ų | 144.3 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -97.1 | 4.3 | 176 | -86.2 | 29.4 | 0 | 0 | 0 | 113.2 | L168 N173 | L168-N171 PolarHBondContact O-N 3.36Å; N171-N173 PolarHBondContact O-N 3.32Å |
| 172 | Y | 31.9 | Very low | 28.1 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 67% | 0.671 | 72% | 0.722 | S | S | * | * | trans | -90.8 | 34.3 | 174.6 | -118.5 | -78.7 | 0 | 0 | 0 | 112.6 | ||||
| 173 | N | 25.6 | Very low | 28.9 | Very low | 130 Ų | 130 | 141.6 Ų | 141.6 | 70% | 0.695 | 72% | 0.716 | S | S | * | * | trans | -101.5 | 123 | 172.3 | -104.4 | 20.9 | 0 | 0 | 0 | 110.1 | N171 | N171-N173 PolarHBondContact O-N 3.32Š| ||
| 174 | E | 27.3 | Very low | 30 | Very low | 164 Ų | 164 | 135.7 Ų | 135.7 | 77% | 0.766 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 67.6 | 134.1 | 162.7 | -55.7 | 179.2 | -173.2 | 0 | 0 | 117.7 | ||
| 175 | N | 26 | Very low | 31.6 | Very low | 157 Ų | 157 | 131.3 Ų | 131.3 | 84% | 0.84 | 67% | 0.67 | S | S | * | * | trans | 68.3 | 56.1 | 161.3 | -52.4 | -44.4 | 0 | 0 | 0 | 119.3 | ||||
| 176 | S | 28.6 | Very low | 33.3 | Very low | 85 Ų | 85 | 123.7 Ų | 123.7 | 59% | 0.594 | 64% | 0.641 | S | S | * | * | trans | -151.6 | 129 | 142.3 | 59.1 | 0 | 0 | 0 | 0 | 113.9 | L178 | S176-L178 VanDerWaalsContact C-N 3.29Å; S176-L178 PolarHBondContact O-N 2.91Å; S176-L178 VanDerWaalsContact O-N 3.07Å | ||
| 177 | N | 26.2 | Very low | 35.4 | Very low | 174 Ų | 174 | 119.5 Ų | 119.5 | 93% | 0.93 | 62% | 0.615 | S | S | * | * | trans | -82.8 | 67.1 | 174.9 | -78.4 | -19.1 | 0 | 0 | 0 | 111.1 | ||||
| 178 | L | 28 | Very low | 37.8 | Very low | 112 Ų | 112 | 113.7 Ų | 113.7 | 59% | 0.586 | 59% | 0.589 | S | S | * | * | trans | -102.2 | 106.1 | 167 | -90.8 | 80 | 0 | 0 | 0 | 110.7 | S176 N180 | S176-L178 VanDerWaalsContact C-N 3.29Å; S176-L178 PolarHBondContact O-N 2.91Å; S176-L178 VanDerWaalsContact O-N 3.07Å; L178-N180 PolarHBondContact O-N 2.85Å | ||
| 179 | T | 25.7 | Very low | 40.2 | Very low | 145 Ų | 145 | 108.6 Ų | 108.6 | 89% | 0.89 | 56% | 0.562 | S | S | * | * | trans | -74.5 | 58 | 170.2 | 50.9 | 0 | 0 | 0 | 0 | 111.5 | S181 | T179-S181 PolarHBondContact O-N 2.86Å; T179-S181 VanDerWaalsContact O-N 3.13Å | ||
| 180 | N | 29.8 | Very low | 42.9 | Very low | 92 Ų | 92 | 102.6 Ų | 102.6 | 49% | 0.492 | 53% | 0.532 | S | S | . | . | trans | -72.6 | 101.7 | 176.3 | -76.1 | -7.5 | 0 | 0 | 0 | 109.8 | L178 L182 | L178-N180 PolarHBondContact O-N 2.85Å; N180-L182 PolarHBondContact O-N 3.37Å | ||
| 181 | S | 33 | Very low | 45.7 | Very low | 97 Ų | 97 | 93.2 Ų | 93.2 | 68% | 0.678 | 50% | 0.495 | S | S | * | . | trans | -61.2 | 121.3 | 167.3 | 52.3 | 0 | 0 | 0 | 0 | 109.9 | T179 Q183 | T179-S181 PolarHBondContact O-N 2.86Å; T179-S181 VanDerWaalsContact O-N 3.13Å; S181-Q183 PolarHBondContact O-N 2.75Å | ||
| 182 | L | 37.3 | Very low | 48.5 | Very low | 135 Ų | 135 | 87.3 Ų | 87.3 | 71% | 0.707 | 47% | 0.465 | S | S | * | . | trans | -63.9 | 102.3 | 168.9 | -78 | 91.2 | 0 | 0 | 0 | 109.1 | N180 T184 | N180-L182 PolarHBondContact O-N 3.37Å; L182-T184 PolarHBondContact O-N 2.96Å | ||
| 183 | Q | 41.2 | Very low | 51.1 | Low | 158 Ų | 158 | 80 Ų | 80 | 74% | 0.738 | 44% | 0.439 | S | S | * | . | trans | -74.2 | 108 | 170.5 | -69.8 | -177.9 | -62.2 | 0 | 0 | 108.5 | S181 S185 | S181-Q183 PolarHBondContact O-N 2.75Å; Q183-S185 PolarHBondContact O-N 2.94Å; Q183-S185 VanDerWaalsContact O-N 3.1Å | ||
| 184 | T | 48.1 | Very low | 54 | Low | 37 Ų | 37 | 75.8 Ų | 75.8 | 23% | 0.227 | 42% | 0.42 | C | S | . | . | trans | -72.9 | 96.9 | 170.5 | 53.6 | 0 | 0 | 0 | 0 | 109.1 | H114 L182 | H114-T184 HydrophobicContact CB-CG2 3.9Å; L182-T184 PolarHBondContact O-N 2.96Å | ||
| 185 | S | 59.7 | Low | 56.6 | Low | 48 Ų | 48 | 71.8 Ų | 71.8 | 34% | 0.336 | 40% | 0.398 | S | S | . | . | trans | -63.8 | 148.8 | 172.4 | 48.5 | 0 | 0 | 0 | 0 | 111.4 | C113 Q183 | C113-S185 WeakPolarHBondContact CB-O 3.42Å; C113-S185 WeakPolarHBondContact CB-OG 3.34Å; C113-S185 PolarHBondContact N-O 3.18Å; Q183-S185 PolarHBondContact O-N 2.94Å; Q183-S185 VanDerWaalsContact O-N 3.1Å | ||
| 186 | L | 65.3 | Low | 59.4 | Low | 10 Ų | 10 | 67.6 Ų | 67.6 | 5% | 0.052 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 115.9 | -176.5 | -161.2 | 81.4 | 0 | 0 | 0 | 110.8 | L75 F88 L91 F110 L111 | L75-L186 HydrophobicContact CD1-CB 3.81Å; L75-L186 HydrophobicContact CD2-CB 3.99Å; L75-L186 HydrophobicContact CD2-CD2 3.74Å; L75-L186 HydrophobicContact CD2-CG 4.43Å; F88-L186 HydrophobicContact CB-CD2 4.5Å; F88-L186 HydrophobicContact CD1-CD2 3.64Å; F88-L186 HydrophobicContact CD2-CD2 4.44Å; F88-L186 HydrophobicContact CE1-CD2 3.82Å; F88-L186 HydrophobicContact CG-CD2 3.96Å; F88-L186 HydrophobicContact CZ-CD2 4.31Å; L91-L186 HydrophobicContact CB-CD1 3.9Å; L91-L186 HydrophobicContact CD1-CD1 3.45Å; L91-L186 VanDerWaalsContact CD1-CD1 3.45Å; L91-L186 HydrophobicContact CD1-CD2 4.09Å; L91-L186 HydrophobicContact CD1-CG 4.28Å; L91-L186 HydrophobicContact CG-CD1 4.28Å; F110-L186 HydrophobicContact CB-CD2 4.43Å; F110-L186 HydrophobicContact CD1-CD2 4.09Å; L111-L186 WeakPolarHBondContact O-CA 3.41Å; L111-L186 WeakPolarHBondContact O-CD1 3.43Å; L111-L186 WeakPolarHBondContact O-CG 3.4Å |
| 187 | G | 71.8 | Confident | 61.8 | Low | 2 Ų | 2 | 66.5 Ų | 66.5 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 150.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F110 L111 | F110-G187 WeakPolarHBondContact CA-O 3.31Å; L111-G187 PolarHBondContact N-O 2.88Å; L111-G187 PolarHBondContact O-N 2.86Å |
| 188 | Y | 76.7 | Confident | 64.1 | Low | 57 Ų | 57 | 59.6 Ų | 59.6 | 22% | 0.224 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 153.2 | 174 | 62.3 | -99.2 | 0 | 0 | 0 | 112.6 | Q76 P78 W108 L109 | Q76-Y188 PolarHBondContact O-OH 2.93Å; P78-Y188 HydrophobicContact CG-CD2 4.45Å; P78-Y188 HydrophobicContact CG-CE2 3.79Å; W108-Y188 HydrophobicContact CE3-CD2 4.03Å; W108-Y188 AromaticContact CZ3-CD2 3.72Å; W108-Y188 HydrophobicContact CZ3-CD2 3.72Å; W108-Y188 AromaticContact CZ3-CE2 3.97Å; W108-Y188 HydrophobicContact CZ3-CE2 3.97Å; L109-Y188 CarbonylContact O-C 3.47Å; L109-Y188 VanDerWaalsContact O-CA 3.27Å; L109-Y188 WeakPolarHBondContact O-CA 3.38Å |
| 189 | V | 80 | Confident | 66.3 | Low | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 132.2 | -179.6 | -172 | 0 | 0 | 0 | 0 | 109.9 | W108 L109 Y131 L132 I135 Y206 | W108-V189 WeakPolarHBondContact CA-O 3.48Å; L109-V189 PolarHBondContact N-O 3.05Å; L109-V189 PolarHBondContact O-N 2.91Å; Y131-V189 HydrophobicContact CE1-CG1 4.14Å; Y131-V189 HydrophobicContact CE1-CG2 4.31Å; L132-V189 HydrophobicContact CD2-CG2 4.29Å; I135-V189 HydrophobicContact CD1-CG2 3.52Å; V189-Y206 HydrophobicContact CG1-CD1 3.9Å; V189-Y206 HydrophobicContact CG1-CG 4.39Å |
| 190 | K | 84 | Confident | 69 | Low | 33 Ų | 33 | 56.7 Ų | 56.7 | 14% | 0.143 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 130 | 169.9 | -168.6 | 166.2 | -179 | 156 | 0 | 109.1 | E80 H106 W108 K207 | E80-K190 IonicContact OE1-NZ 3.15Å; E80-K190 PolarHBondContact OE1-NZ 3.39Å; E80-K190 IonicContact OE2-NZ 3.92Å; E80-K190 PolarHBondContact OE2-NZ 3.22Å; H106-K190 WeakPolarHBondContact CD2-CE 3.46Å; W108-K190 HydrophobicContact CD2-CB 4.22Å; W108-K190 HydrophobicContact CD2-CG 4.3Å; W108-K190 HydrophobicContact CE3-CB 3.89Å; W108-K190 HydrophobicContact CE3-CG 4.46Å; W108-K190 HydrophobicContact CH2-CB 3.79Å; W108-K190 HydrophobicContact CH2-CD 3.87Å; W108-K190 HydrophobicContact CH2-CG 4.12Å; W108-K190 HydrophobicContact CZ2-CB 4.14Å; W108-K190 HydrophobicContact CZ2-CD 3.59Å; W108-K190 HydrophobicContact CZ2-CG 3.95Å; W108-K190 HydrophobicContact CZ3-CB 3.65Å; W108-K190 HydrophobicContact CZ3-CG 4.36Å; K190-K207 PolarHBondContact N-O 2.82Å; K190-K207 PolarHBondContact O-N 3.35Å |
| 191 | L | 86.1 | Confident | 71.7 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 128.5 | 172.6 | -163.7 | 71.8 | 0 | 0 | 0 | 108.3 | F29 M98 H106 A107 V204 Q205 Y206 I218 | F29-L191 HydrophobicContact CE1-CD2 4.37Å; F29-L191 HydrophobicContact CZ-CD2 3.83Å; F29-L191 HydrophobicContact CZ-CG 4.25Å; M98-L191 HydrophobicContact SD-CD2 4.25Å; H106-L191 VanDerWaalsContact CA-O 3.25Å; H106-L191 WeakPolarHBondContact CA-O 3.49Å; A107-L191 HydrophobicContact CB-CB 4.09Å; A107-L191 HydrophobicContact CB-CD2 4.18Å; A107-L191 PolarHBondContact N-O 2.92Å; A107-L191 WeakPolarHBondContact O-CB 3.46Å; A107-L191 PolarHBondContact O-N 2.85Å; L191-V204 HydrophobicContact CD1-CB 3.74Å; L191-V204 HydrophobicContact CD1-CG1 4.47Å; L191-V204 HydrophobicContact CD1-CG2 3.79Å; L191-V204 HydrophobicContact CD2-CG1 4.38Å; L191-V204 HydrophobicContact CG-CB 4.06Å; L191-V204 HydrophobicContact CG-CG1 4.33Å; L191-Q205 WeakPolarHBondContact CA-O 3.29Å; L191-Y206 HydrophobicContact CD1-CD1 3.67Å; L191-Y206 HydrophobicContact CD1-CD2 4.05Å; L191-Y206 HydrophobicContact CD1-CE1 3.44Å; L191-Y206 VanDerWaalsContact CD1-CE1 3.44Å; L191-Y206 HydrophobicContact CD1-CE2 3.82Å; L191-Y206 HydrophobicContact CD1-CG 3.97Å; L191-I218 HydrophobicContact CD2-CD1 4.43Å |
| 192 | S | 87.2 | Confident | 74.3 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 16% | 0.161 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 132.4 | 170.4 | -65.9 | 0 | 0 | 0 | 0 | 109.8 | H106 S194 V204 Q205 | H106-S192 PolarHBondContact CD2-OG 3.14Å; H106-S192 PolarHBondContact NE2-OG 3.09Å; S192-S194 PolarHBondContact O-N 2.88Å; S192-V204 WeakPolarHBondContact O-CA 3.46Å; S192-Q205 PolarHBondContact N-O 3.44Å; S192-Q205 PolarHBondContact O-N 2.03Å |
| 193 | C | 86.5 | Confident | 76.9 | Confident | 17 Ų | 17 | 43.5 Ų | 43.5 | 12% | 0.115 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 111.6 | 169.7 | -160.4 | 0 | 0 | 0 | 0 | 109 | C27 F29 H105 Y202 | C27-C193 HydrophobicContact CB-CB 3.62Å; C27-C193 WeakPolarHBondContact CB-O 3.4Å; C27-C193 WeakPolarHBondContact CB-SG 3.37Å; C27-C193 VanDerWaalsContact O-CB 3.29Å; C27-C193 WeakPolarHBondContact O-CB 3.48Å; C27-C193 PolarHBondContact O-SG 2.71Å; C27-C193 VanDerWaalsContact SG-CA 3.57Å; C27-C193 WeakPolarHBondContact SG-CB 3.42Å; C27-C193 CovalentContact SG-SG 2.04Å; C27-C193 PolarHBondContact SG-SG 2.93Å; F29-C193 HydrophobicContact CD2-CB 4.4Å; F29-C193 HydrophobicContact CE1-CB 4.22Å; F29-C193 HydrophobicContact CE2-CB 3.9Å; F29-C193 HydrophobicContact CZ-CB 3.79Å; H105-C193 WeakPolarHBondContact O-CB 3.27Å; H105-C193 PolarHBondContact O-N 3.46Å; C193-Y202 VanDerWaalsContact SG-CD1 3.53Å |
| 194 | S | 85.3 | Confident | 79.1 | Confident | 43 Ų | 43 | 36 Ų | 36 | 30% | 0.301 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -38.9 | -175.7 | -53.9 | 0 | 0 | 0 | 0 | 113.1 | S192 L203 Q205 | S192-S194 PolarHBondContact O-N 2.88Å; S194-L203 WeakPolarHBondContact CA-O 3.43Å; S194-L203 WeakPolarHBondContact CB-O 3.46Å; S194-L203 PolarHBondContact N-O 3.25Å; S194-Q205 WeakPolarHBondContact OG-CB 3.43Å |
| 195 | W | 83.2 | Confident | 81.1 | Confident | 79 Ų | 79 | 36.1 Ų | 36.1 | 30% | 0.299 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 141 | 176.9 | -170.7 | -78.9 | 0 | 0 | 0 | 111 | C27 Y202 L203 L246 | C27-W195 PolarHBondContact SG-N 2.69Å; C27-W195 VanDerWaalsContact SG-N 3.39Å; W195-Y202 CarbonylContact O-C 3.54Å; W195-Y202 WeakPolarHBondContact O-CA 3.2Å; W195-L203 HydrophobicContact CB-CB 4.1Å; W195-L203 PolarHBondContact N-O 3.25Å; W195-L203 PolarHBondContact O-N 2.79Å; W195-L246 HydrophobicContact CB-CD2 3.95Å; W195-L246 HydrophobicContact CD2-CD2 4.13Å; W195-L246 HydrophobicContact CG-CD2 3.61Å |
| 196 | Q | 83.6 | Confident | 82.4 | Confident | 69 Ų | 69 | 34.3 Ų | 34.3 | 32% | 0.322 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 116.3 | 172.4 | -176.1 | 171.4 | 3.9 | 0 | 0 | 110.3 | G198 K199 I201 Y202 | Q196-G198 VanDerWaalsContact CG-O 3.22Å; Q196-G198 WeakPolarHBondContact CG-O 3.39Å; Q196-G198 PolarHBondContact NE2-O 2.76Å; Q196-K199 PolarHBondContact NE2-O 3.17Å; Q196-K199 VanDerWaalsContact NE2-O 3.08Å; Q196-I201 CarbonylContact C-O 3.58Å; Q196-I201 WeakPolarHBondContact CA-O 3.17Å; Q196-Y202 HydrophobicContact CB-CD1 3.94Å; Q196-Y202 HydrophobicContact CB-CE1 3.93Å; Q196-Y202 VanDerWaalsContact CD-CE1 3.44Å; Q196-Y202 HydrophobicContact CG-CD1 3.9Å; Q196-Y202 HydrophobicContact CG-CE1 3.54Å; Q196-Y202 PolarHBondContact NE2-OH 3.01Å |
| 197 | S | 78.8 | Confident | 83.2 | Confident | 63 Ų | 63 | 38.8 Ų | 38.8 | 44% | 0.441 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -4.3 | -176.8 | -164.3 | 0 | 0 | 0 | 0 | 113.8 | I201 | S197-I201 PolarHBondContact N-O 3.32Å |
| 198 | G | 75.3 | Confident | 83.3 | Confident | 29 Ų | 29 | 39.6 Ų | 39.6 | 30% | 0.299 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 177 | 179.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q196 N200 I201 | Q196-G198 VanDerWaalsContact CG-O 3.22Å; Q196-G198 WeakPolarHBondContact CG-O 3.39Å; Q196-G198 PolarHBondContact NE2-O 2.76Å; G198-N200 PolarHBondContact O-N 2.86Å; G198-I201 PolarHBondContact O-N 2.85Å; G198-I201 VanDerWaalsContact O-N 3.12Å |
| 199 | K | 74 | Confident | 82.4 | Confident | 167 Ų | 167 | 41.3 Ų | 41.3 | 73% | 0.726 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -42.2 | -46.4 | -172 | -167.1 | -171.8 | 174.8 | -171.7 | 0 | 113.5 | Q196 | Q196-K199 PolarHBondContact NE2-O 3.17Å; Q196-K199 VanDerWaalsContact NE2-O 3.08Å |
| 200 | N | 81.3 | Confident | 81.6 | Confident | 29 Ų | 29 | 47.1 Ų | 47.1 | 16% | 0.155 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | 22.8 | 178.4 | -55.1 | -0.5 | 0 | 0 | 0 | 113.7 | G198 Y202 K219 F220 | G198-N200 PolarHBondContact O-N 2.86Å; N200-Y202 WeakPolarHBondContact O-CD2 3.49Å; N200-Y202 WeakPolarHBondContact O-CE2 3.43Å; N200-K219 WeakPolarHBondContact O-CA 3.32Å; N200-F220 HydrophobicContact CB-CB 4.31Å; N200-F220 WeakPolarHBondContact CB-O 3.42Å; N200-F220 PolarHBondContact ND2-O 2.85Å; N200-F220 PolarHBondContact O-N 3.46Å |
| 201 | I | 87.3 | Confident | 80.7 | Confident | 38 Ų | 38 | 47.5 Ų | 47.5 | 20% | 0.195 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 125.9 | -174.2 | -60 | 177.2 | 0 | 0 | 0 | 110.4 | Q196 S197 G198 C217 K219 C249 F254 | Q196-I201 CarbonylContact C-O 3.58Å; Q196-I201 WeakPolarHBondContact CA-O 3.17Å; S197-I201 PolarHBondContact N-O 3.32Å; G198-I201 PolarHBondContact O-N 2.85Å; G198-I201 VanDerWaalsContact O-N 3.12Å; I201-C217 VanDerWaalsContact CG2-SG 3.59Å; I201-K219 HydrophobicContact CG1-CB 4.16Å; I201-K219 HydrophobicContact CG1-CG 4.02Å; I201-C249 HydrophobicContact CG2-CB 4.16Å; I201-F254 HydrophobicContact CG2-CE2 4.46Å; I201-F254 HydrophobicContact CG2-CZ 4.02Å |
| 202 | Y | 88.4 | Confident | 80 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 125.9 | -169.5 | -57.4 | -82.3 | 0 | 0 | 0 | 112.6 | Y28 F29 P30 C193 W195 Q196 N200 C217 I218 F220 | Y28-Y202 WeakPolarHBondContact O-CE1 3.43Å; Y28-Y202 PolarHBondContact O-OH 2.84Å; F29-Y202 HydrophobicContact CD1-CG 4.5Å; P30-Y202 WeakPolarHBondContact CD-OH 3.4Å; P30-Y202 HydrophobicContact CG-CE2 3.76Å; P30-Y202 WeakPolarHBondContact CG-OH 3.34Å; C193-Y202 VanDerWaalsContact SG-CD1 3.53Å; W195-Y202 CarbonylContact O-C 3.54Å; W195-Y202 WeakPolarHBondContact O-CA 3.2Å; Q196-Y202 HydrophobicContact CB-CD1 3.94Å; Q196-Y202 HydrophobicContact CB-CE1 3.93Å; Q196-Y202 VanDerWaalsContact CD-CE1 3.44Å; Q196-Y202 HydrophobicContact CG-CD1 3.9Å; Q196-Y202 HydrophobicContact CG-CE1 3.54Å; Q196-Y202 PolarHBondContact NE2-OH 3.01Å; N200-Y202 WeakPolarHBondContact O-CD2 3.49Å; N200-Y202 WeakPolarHBondContact O-CE2 3.43Å; Y202-C217 VanDerWaalsContact C-SG 3.57Å; Y202-C217 CarbonylContact O-C 3.58Å; Y202-C217 WeakPolarHBondContact O-CA 3Å; Y202-C217 PolarHBondContact O-SG 3.43Å; Y202-I218 PolarHBondContact N-O 3.48Å; Y202-I218 PolarHBondContact O-N 3.25Å; Y202-F220 AromaticContact CD2-CD2 3.75Å; Y202-F220 HydrophobicContact CD2-CD2 3.75Å; Y202-F220 AromaticContact CD2-CE2 3.83Å; Y202-F220 HydrophobicContact CD2-CE2 3.83Å; Y202-F220 AromaticContact CE2-CD2 3.81Å; Y202-F220 HydrophobicContact CE2-CD2 3.81Å; Y202-F220 HydrophobicContact CE2-CE2 4.15Å |
| 203 | L | 90.2 | Very high | 79.8 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 122.6 | 160.2 | -173.3 | 70 | 0 | 0 | 0 | 107.7 | S194 W195 A244 D245 L246 L248 | S194-L203 WeakPolarHBondContact CA-O 3.43Å; S194-L203 WeakPolarHBondContact CB-O 3.46Å; S194-L203 PolarHBondContact N-O 3.25Å; W195-L203 HydrophobicContact CB-CB 4.1Å; W195-L203 PolarHBondContact N-O 3.25Å; W195-L203 PolarHBondContact O-N 2.79Å; L203-A244 HydrophobicContact CD2-CB 4.12Å; L203-D245 WeakPolarHBondContact CD1-O 3.19Å; L203-L246 HydrophobicContact CD2-CD2 4.13Å; L203-L248 HydrophobicContact CD1-CB 4.37Å; L203-L248 HydrophobicContact CD1-CD1 4.23Å |
| 204 | V | 89.5 | Confident | 79.9 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 143.2 | -176 | -67.5 | 0 | 0 | 0 | 0 | 111.7 | F29 L191 S192 Y206 Y215 Q216 I218 | F29-V204 HydrophobicContact CE1-CG1 3.8Å; F29-V204 HydrophobicContact CZ-CG1 3.93Å; L191-V204 HydrophobicContact CD1-CB 3.74Å; L191-V204 HydrophobicContact CD1-CG1 4.47Å; L191-V204 HydrophobicContact CD1-CG2 3.79Å; L191-V204 HydrophobicContact CD2-CG1 4.38Å; L191-V204 HydrophobicContact CG-CB 4.06Å; L191-V204 HydrophobicContact CG-CG1 4.33Å; S192-V204 WeakPolarHBondContact O-CA 3.46Å; V204-Y206 HydrophobicContact CG2-CE2 3.85Å; V204-Y215 WeakPolarHBondContact O-CA 3.33Å; V204-Q216 WeakPolarHBondContact CG2-O 3.46Å; V204-Q216 PolarHBondContact N-O 2.8Å; V204-Q216 PolarHBondContact O-N 2.86Å; V204-Q216 VanDerWaalsContact O-N 3.08Å; V204-I218 HydrophobicContact CG1-CD1 3.78Å; V204-I218 HydrophobicContact CG1-CG1 3.98Å; V204-I218 HydrophobicContact CG2-CD1 4.06Å; V204-I218 HydrophobicContact CG2-CG1 4.08Å; V204-I218 HydrophobicContact CG2-CG2 3.83Å |
| 205 | Q | 90 | Very high | 80.1 | Confident | 41 Ų | 41 | 57.4 Ų | 57.4 | 19% | 0.192 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 117.1 | 176 | -176.4 | -177.3 | 3.6 | 0 | 0 | 110 | L191 S192 S194 S213 Y215 | L191-Q205 WeakPolarHBondContact CA-O 3.29Å; S192-Q205 PolarHBondContact N-O 3.44Å; S192-Q205 PolarHBondContact O-N 2.03Å; S194-Q205 WeakPolarHBondContact OG-CB 3.43Å; Q205-S213 PolarHBondContact NE2-OG 3.5Å; Q205-Y215 HydrophobicContact CB-CD1 3.95Å; Q205-Y215 HydrophobicContact CB-CE1 3.67Å; Q205-Y215 HydrophobicContact CG-CD1 4.35Å; Q205-Y215 HydrophobicContact CG-CE1 3.83Å |
| 206 | Y | 85.8 | Confident | 80.4 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 4% | 0.035 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 126.3 | 167.5 | -69.1 | -89 | 0 | 0 | 0 | 109.6 | L109 L128 Y131 V189 L191 V204 S213 I214 Q216 | L109-Y206 HydrophobicContact CD2-CE1 4.14Å; L128-Y206 HydrophobicContact CD1-CD1 4.11Å; L128-Y206 HydrophobicContact CD1-CD2 4.13Å; L128-Y206 HydrophobicContact CD1-CE1 3.78Å; L128-Y206 HydrophobicContact CD1-CE2 3.82Å; L128-Y206 HydrophobicContact CD1-CG 4.27Å; L128-Y206 HydrophobicContact CD2-CD2 4.38Å; Y131-Y206 PolarHBondContact OH-O 2.83Å; V189-Y206 HydrophobicContact CG1-CD1 3.9Å; V189-Y206 HydrophobicContact CG1-CG 4.39Å; L191-Y206 HydrophobicContact CD1-CD1 3.67Å; L191-Y206 HydrophobicContact CD1-CD2 4.05Å; L191-Y206 HydrophobicContact CD1-CE1 3.44Å; L191-Y206 VanDerWaalsContact CD1-CE1 3.44Å; L191-Y206 HydrophobicContact CD1-CE2 3.82Å; L191-Y206 HydrophobicContact CD1-CG 3.97Å; V204-Y206 HydrophobicContact CG2-CE2 3.85Å; Y206-S213 CarbonylContact O-C 3.6Å; Y206-S213 VanDerWaalsContact O-CA 3.25Å; Y206-S213 WeakPolarHBondContact O-CA 3.41Å; Y206-I214 PolarHBondContact N-O 3.27Å; Y206-I214 PolarHBondContact O-N 3.29Å; Y206-Q216 HydrophobicContact CD2-CB 4.37Å; Y206-Q216 HydrophobicContact CE2-CB 3.86Å |
| 207 | K | 82.5 | Confident | 80.7 | Confident | 105 Ų | 105 | 50.4 Ų | 50.4 | 46% | 0.457 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 117.3 | 180 | -171.5 | 179.5 | -179.2 | -177.3 | 0 | 111.2 | K190 | K190-K207 PolarHBondContact N-O 2.82Å; K190-K207 PolarHBondContact O-N 3.35Å |
| 208 | H | 72.9 | Confident | 81.2 | Confident | 18 Ų | 18 | 47.5 Ų | 47.5 | 8% | 0.083 | 24% | 0.241 | C | C | . | . | trans | -99.9 | 165.7 | 171.8 | 124.6 | -101.4 | 0 | 0 | 0 | 111.3 | Y131 I135 K210 G211 | Y131-H208 PolarHBondContact OH-N 2.83Å; Y131-H208 VanDerWaalsContact OH-N 3.1Å; I135-H208 HydrophobicContact CD1-CB 3.83Å; I135-H208 HydrophobicContact CG1-CB 3.99Å; H208-K210 PolarHBondContact O-N 3.12Å; H208-K210 VanDerWaalsContact O-N 3.07Å; H208-G211 PolarHBondContact O-N 2.8Å | ||
| 209 | S | 59.5 | Low | 81.7 | Confident | 93 Ų | 93 | 48.5 Ų | 48.5 | 65% | 0.65 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | -35.1 | -172.9 | 59.4 | 0 | 0 | 0 | 0 | 115.3 | G211 | S209-G211 PolarHBondContact O-N 2.8Å; S209-G211 VanDerWaalsContact O-N 3.11Å |
| 210 | K | 62.9 | Low | 82.1 | Confident | 123 Ų | 123 | 40.5 Ų | 40.5 | 54% | 0.535 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 21.4 | 175.6 | -60.9 | -176.9 | 173.8 | 176.7 | 0 | 114.6 | V138 H208 R212 | V138-K210 HydrophobicContact CG1-CD 4.44Å; V138-K210 HydrophobicContact CG2-CD 4.39Å; V138-K210 VanDerWaalsContact CG2-NZ 3.31Å; H208-K210 PolarHBondContact O-N 3.12Å; H208-K210 VanDerWaalsContact O-N 3.07Å; K210-R212 PolarHBondContact O-N 2.78Å |
| 211 | G | 64.7 | Low | 82.2 | Confident | 42 Ų | 42 | 42.4 Ų | 42.4 | 43% | 0.433 | 21% | 0.211 | S | C | . | . | trans | 73.6 | -20.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 117 | H208 S209 S213 | H208-G211 PolarHBondContact O-N 2.8Å; S209-G211 PolarHBondContact O-N 2.8Å; S209-G211 VanDerWaalsContact O-N 3.11Å; G211-S213 PolarHBondContact O-N 3.46Å; G211-S213 VanDerWaalsContact O-N 3.16Å; G211-S213 PolarHBondContact O-OG 3.13Å | ||
| 212 | R | 71.7 | Confident | 81.8 | Confident | 187 Ų | 187 | 41.6 Ų | 41.6 | 71% | 0.706 | 21% | 0.208 | S | C | * | . | trans | -56.9 | 118.4 | 176.8 | -73 | -173.2 | 176.4 | -177.8 | -1.7 | 110.9 | Y131 K210 | Y131-R212 HydrophobicContact CE2-CB 4.33Å; Y131-R212 PolarHBondContact OH-O 3.28Å; K210-R212 PolarHBondContact O-N 2.78Å | ||
| 213 | S | 82.4 | Confident | 81.2 | Confident | 33 Ų | 33 | 43.3 Ų | 43.3 | 23% | 0.231 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 143 | 177.3 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | Q205 Y206 G211 | Q205-S213 PolarHBondContact NE2-OG 3.5Å; Y206-S213 CarbonylContact O-C 3.6Å; Y206-S213 VanDerWaalsContact O-CA 3.25Å; Y206-S213 WeakPolarHBondContact O-CA 3.41Å; G211-S213 PolarHBondContact O-N 3.46Å; G211-S213 VanDerWaalsContact O-N 3.16Å; G211-S213 PolarHBondContact O-OG 3.13Å |
| 214 | I | 88.3 | Confident | 80.1 | Confident | 34 Ų | 34 | 45.6 Ų | 45.6 | 17% | 0.174 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 137.8 | 170 | -66.4 | -171.4 | 0 | 0 | 0 | 108.7 | L128 Y131 Y206 T240 S241 | L128-I214 HydrophobicContact CD2-CG2 3.98Å; Y131-I214 HydrophobicContact CD2-CD1 3.32Å; Y131-I214 HydrophobicContact CD2-CG1 3.93Å; Y131-I214 HydrophobicContact CE2-CD1 3.88Å; Y131-I214 HydrophobicContact CE2-CG1 3.93Å; Y131-I214 HydrophobicContact CG-CD1 3.74Å; Y206-I214 PolarHBondContact N-O 3.27Å; Y206-I214 PolarHBondContact O-N 3.29Å; I214-T240 HydrophobicContact CG2-CG2 3.99Å; I214-S241 CarbonylContact C-O 3.55Å; I214-S241 WeakPolarHBondContact CA-O 3.5Å |
| 215 | Y | 90 | Very high | 78.5 | Confident | 39 Ų | 39 | 53 Ų | 53 | 15% | 0.153 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 138.9 | 175.1 | -61.9 | -93.2 | 0 | 0 | 0 | 110.6 | V204 Q205 T240 S241 T243 A244 | V204-Y215 WeakPolarHBondContact O-CA 3.33Å; Q205-Y215 HydrophobicContact CB-CD1 3.95Å; Q205-Y215 HydrophobicContact CB-CE1 3.67Å; Q205-Y215 HydrophobicContact CG-CD1 4.35Å; Q205-Y215 HydrophobicContact CG-CE1 3.83Å; Y215-T240 CarbonylContact O-C 3.58Å; Y215-T240 VanDerWaalsContact O-CA 3.29Å; Y215-T240 WeakPolarHBondContact O-CA 3.37Å; Y215-S241 PolarHBondContact N-O 2.97Å; Y215-S241 PolarHBondContact O-N 2.98Å; Y215-T243 VanDerWaalsContact CD2-O 3.3Å; Y215-T243 WeakPolarHBondContact CD2-O 3.27Å; Y215-A244 HydrophobicContact CD1-CB 4.01Å; Y215-A244 HydrophobicContact CE1-CB 3.8Å; Y215-A244 HydrophobicContact CE2-CB 4.5Å; Y215-A244 HydrophobicContact CG-CB 4.44Å |
| 216 | Q | 89.4 | Confident | 76.8 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 153.8 | 173.5 | -158.1 | 171.7 | 8.9 | 0 | 0 | 108.4 | S127 V204 Y206 S237 T240 | S127-Q216 PolarHBondContact OG-NE2 3.04Å; V204-Q216 WeakPolarHBondContact CG2-O 3.46Å; V204-Q216 PolarHBondContact N-O 2.8Å; V204-Q216 PolarHBondContact O-N 2.86Å; V204-Q216 VanDerWaalsContact O-N 3.08Å; Y206-Q216 HydrophobicContact CD2-CB 4.37Å; Y206-Q216 HydrophobicContact CE2-CB 3.86Å; Q216-S237 WeakPolarHBondContact CG-OG 3.31Å; Q216-S237 PolarHBondContact NE2-O 2.01Å; Q216-T240 HydrophobicContact CB-CG2 3.98Å; Q216-T240 HydrophobicContact CG-CG2 3.7Å |
| 217 | C | 90.1 | Very high | 75.2 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 141.1 | 166.2 | -155 | 0 | 0 | 0 | 0 | 111.1 | I201 Y202 S237 L248 C249 F254 | I201-C217 VanDerWaalsContact CG2-SG 3.59Å; Y202-C217 VanDerWaalsContact C-SG 3.57Å; Y202-C217 CarbonylContact O-C 3.58Å; Y202-C217 WeakPolarHBondContact O-CA 3Å; Y202-C217 PolarHBondContact O-SG 3.43Å; C217-S237 PolarHBondContact N-OG 2.86Å; C217-S237 PolarHBondContact O-N 2.93Å; C217-L248 HydrophobicContact CB-CB 4.2Å; C217-L248 WeakPolarHBondContact CB-O 3.43Å; C217-C249 HydrophobicContact CB-CB 3.89Å; C217-C249 WeakPolarHBondContact CB-SG 3.29Å; C217-C249 WeakPolarHBondContact SG-CA 3.3Å; C217-C249 WeakPolarHBondContact SG-CB 3.43Å; C217-C249 CovalentContact SG-SG 2.03Å; C217-C249 PolarHBondContact SG-SG 3.48Å; C217-F254 HydrophobicContact CB-CE1 4.31Å; C217-F254 HydrophobicContact CB-CZ 4.04Å |
| 218 | I | 88.2 | Confident | 73.7 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 143.8 | 175.7 | 68.6 | 175.1 | 0 | 0 | 0 | 110.5 | F29 L191 Y202 V204 F220 L234 F235 L236 | F29-I218 HydrophobicContact CE1-CD1 4.32Å; L191-I218 HydrophobicContact CD2-CD1 4.43Å; Y202-I218 PolarHBondContact N-O 3.48Å; Y202-I218 PolarHBondContact O-N 3.25Å; V204-I218 HydrophobicContact CG1-CD1 3.78Å; V204-I218 HydrophobicContact CG1-CG1 3.98Å; V204-I218 HydrophobicContact CG2-CD1 4.06Å; V204-I218 HydrophobicContact CG2-CG1 4.08Å; V204-I218 HydrophobicContact CG2-CG2 3.83Å; I218-F220 HydrophobicContact CD1-CE2 3.53Å; I218-F220 HydrophobicContact CD1-CZ 3.61Å; I218-F220 HydrophobicContact CG1-CE2 3.99Å; I218-F220 HydrophobicContact CG1-CZ 4.49Å; I218-L234 HydrophobicContact CB-CD1 4.05Å; I218-L234 HydrophobicContact CD1-CD1 4.36Å; I218-F235 WeakPolarHBondContact CA-O 3.49Å; I218-L236 HydrophobicContact CB-CD2 4.4Å; I218-L236 HydrophobicContact CG2-CD2 3.58Å |
| 219 | K | 86.8 | Confident | 73 | Confident | 50 Ų | 50 | 63.9 Ų | 63.9 | 22% | 0.217 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 124.3 | 174.1 | 172.2 | -159.9 | 177.6 | -158.1 | 0 | 108.8 | N200 I201 E221 F235 F254 | N200-K219 WeakPolarHBondContact O-CA 3.32Å; I201-K219 HydrophobicContact CG1-CB 4.16Å; I201-K219 HydrophobicContact CG1-CG 4.02Å; K219-E221 VanDerWaalsContact CE-OE1 3.27Å; K219-E221 WeakPolarHBondContact CE-OE1 3.43Å; K219-E221 IonicContact NZ-OE1 3.36Å; K219-E221 PolarHBondContact NZ-OE1 3.13Å; K219-E221 IonicContact NZ-OE2 3.61Å; K219-E221 PolarHBondContact NZ-OE2 2.97Å; K219-F235 HydrophobicContact CB-CB 4.23Å; K219-F235 HydrophobicContact CD-CD2 4.05Å; K219-F235 HydrophobicContact CD-CG 4.46Å; K219-F235 PolarHBondContact N-O 3.26Å; K219-F235 PolarHBondContact O-N 3.17Å; K219-F254 HydrophobicContact CB-CD1 4.38Å; K219-F254 HydrophobicContact CB-CE1 3.8Å; K219-F254 HydrophobicContact CB-CZ 4Å |
| 220 | F | 83.2 | Confident | 73.4 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 132 | 170.1 | -60.1 | -91.4 | 0 | 0 | 0 | 109.7 | F29 P30 F32 I33 M98 F100 N200 Y202 I218 F232 L234 | F29-F220 HydrophobicContact CD1-CE2 4.04Å; F29-F220 HydrophobicContact CD1-CZ 4.35Å; F29-F220 HydrophobicContact CE1-CE2 4.4Å; P30-F220 HydrophobicContact CG-CB 4.35Å; P30-F220 HydrophobicContact CG-CD2 4.06Å; P30-F220 HydrophobicContact CG-CG 4.3Å; F32-F220 HydrophobicContact CZ-CB 4.11Å; I33-F220 HydrophobicContact CD1-CD1 3.45Å; I33-F220 VanDerWaalsContact CD1-CD1 3.45Å; I33-F220 HydrophobicContact CD1-CE1 3.41Å; I33-F220 VanDerWaalsContact CD1-CE1 3.41Å; I33-F220 HydrophobicContact CD1-CG 4.09Å; I33-F220 HydrophobicContact CD1-CZ 4.02Å; M98-F220 HydrophobicContact CE-CE1 4.14Å; F100-F220 HydrophobicContact CZ-CZ 4.33Å; N200-F220 HydrophobicContact CB-CB 4.31Å; N200-F220 WeakPolarHBondContact CB-O 3.42Å; N200-F220 PolarHBondContact ND2-O 2.85Å; N200-F220 PolarHBondContact O-N 3.46Å; Y202-F220 AromaticContact CD2-CD2 3.75Å; Y202-F220 HydrophobicContact CD2-CD2 3.75Å; Y202-F220 AromaticContact CD2-CE2 3.83Å; Y202-F220 HydrophobicContact CD2-CE2 3.83Å; Y202-F220 AromaticContact CE2-CD2 3.81Å; Y202-F220 HydrophobicContact CE2-CD2 3.81Å; Y202-F220 HydrophobicContact CE2-CE2 4.15Å; I218-F220 HydrophobicContact CD1-CE2 3.53Å; I218-F220 HydrophobicContact CD1-CZ 3.61Å; I218-F220 HydrophobicContact CG1-CE2 3.99Å; I218-F220 HydrophobicContact CG1-CZ 4.49Å; F220-F232 AromaticContact CD1-CD2 3.97Å; F220-F232 HydrophobicContact CD1-CD2 3.97Å; F220-F232 AromaticContact CD1-CE2 3.53Å; F220-F232 HydrophobicContact CD1-CE2 3.53Å; F220-F232 HydrophobicContact CD1-CZ 4.22Å; F220-F232 AromaticContact CE1-CE2 3.94Å; F220-F232 HydrophobicContact CE1-CE2 3.94Å; F220-F232 HydrophobicContact CE1-CZ 4.39Å; F220-L234 HydrophobicContact CD1-CD1 3.75Å; F220-L234 HydrophobicContact CE1-CD1 3.67Å; F220-L234 HydrophobicContact CE2-CD1 4.44Å; F220-L234 HydrophobicContact CG-CD1 4.2Å; F220-L234 HydrophobicContact CZ-CD1 4.04Å |
| 221 | E | 83.5 | Confident | 74 | Confident | 69 Ų | 69 | 55.7 Ų | 55.7 | 32% | 0.322 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 111.1 | 179.5 | -175.5 | 153 | -111.1 | 0 | 0 | 110.1 | K219 F232 N233 F235 | K219-E221 VanDerWaalsContact CE-OE1 3.27Å; K219-E221 WeakPolarHBondContact CE-OE1 3.43Å; K219-E221 IonicContact NZ-OE1 3.36Å; K219-E221 PolarHBondContact NZ-OE1 3.13Å; K219-E221 IonicContact NZ-OE2 3.61Å; K219-E221 PolarHBondContact NZ-OE2 2.97Å; E221-F232 WeakPolarHBondContact O-CA 3.4Å; E221-F232 WeakPolarHBondContact O-CB 3.36Å; E221-N233 HydrophobicContact CB-CB 4.35Å; E221-N233 PolarHBondContact N-O 2.84Å; E221-N233 PolarHBondContact O-N 3.34Å; E221-F235 HydrophobicContact CB-CD2 4.49Å; E221-F235 HydrophobicContact CB-CE2 4.02Å; E221-F235 WeakPolarHBondContact OE2-CE2 3.45Å; E221-F235 WeakPolarHBondContact OE2-CZ 3.21Å |
| 222 | P | 77.2 | Confident | 74.6 | Confident | 20 Ų | 20 | 53.7 Ų | 53.7 | 13% | 0.13 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 141.7 | 177.2 | 29.4 | -36.9 | 0 | 0 | 0 | 110 | N224 E225 V229 | P222-N224 VanDerWaalsContact C-N 3.33Å; P222-E225 HydrophobicContact CG-CG 4.04Å; P222-V229 HydrophobicContact CB-CB 4.33Å; P222-V229 HydrophobicContact CB-CG1 3.53Å; P222-V229 HydrophobicContact CB-CG2 3.75Å |
| 223 | I | 76.2 | Confident | 75.1 | Confident | 40 Ų | 40 | 45.9 Ų | 45.9 | 21% | 0.205 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -74.3 | -29.5 | 177.8 | -64.2 | 177.3 | 0 | 0 | 0 | 111.2 | V231 K260 W341 | I223-V231 HydrophobicContact CD1-CB 4.07Å; I223-V231 HydrophobicContact CD1-CG1 3.56Å; I223-V231 PolarHBondContact N-O 3.47Å; I223-K260 HydrophobicContact CD1-CD 4.12Å; I223-K260 HydrophobicContact CD1-CG 4.31Å; I223-W341 HydrophobicContact CD1-CD2 4.43Å; I223-W341 HydrophobicContact CG2-CB 3.45Å; I223-W341 VanDerWaalsContact CG2-CB 3.45Å; I223-W341 HydrophobicContact CG2-CD2 4.29Å; I223-W341 HydrophobicContact CG2-CG 3.52Å |
| 224 | N | 67.1 | Low | 75 | Confident | 53 Ų | 53 | 44.6 Ų | 44.6 | 28% | 0.283 | 23% | 0.234 | S | C | . | . | trans | -129.2 | 129.1 | 169.7 | -172.8 | 0.5 | 0 | 0 | 0 | 108.2 | P222 I226 E227 | P222-N224 VanDerWaalsContact C-N 3.33Å; N224-I226 VanDerWaalsContact C-N 3.34Å; N224-I226 PolarHBondContact OD1-N 2.82Å; N224-I226 VanDerWaalsContact OD1-N 3.07Å; N224-E227 VanDerWaalsContact ND2-CD 3.32Å; N224-E227 WeakPolarHBondContact ND2-CG 3.37Å; N224-E227 PolarHBondContact ND2-OE2 2.88Å | ||
| 225 | E | 57 | Low | 74.8 | Confident | 155 Ų | 155 | 44.5 Ų | 44.5 | 72% | 0.724 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -81.8 | -13 | 176.9 | -67.4 | -159.4 | 125.7 | 0 | 0 | 113.3 | P222 | P222-E225 HydrophobicContact CG-CG 4.04Š|
| 226 | I | 53.6 | Low | 74.5 | Confident | 157 Ų | 157 | 43 Ų | 43 | 81% | 0.805 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -97.6 | -29.5 | -169.2 | -55.9 | 174.5 | 0 | 0 | 0 | 112.3 | N224 | N224-I226 VanDerWaalsContact C-N 3.34Å; N224-I226 PolarHBondContact OD1-N 2.82Å; N224-I226 VanDerWaalsContact OD1-N 3.07Å |
| 227 | E | 51.5 | Low | 74.4 | Confident | 112 Ų | 112 | 43 Ų | 43 | 52% | 0.523 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -104.7 | 160.5 | 180 | -67.5 | 173 | 146.4 | 0 | 0 | 110.9 | N224 V229 | N224-E227 VanDerWaalsContact ND2-CD 3.32Å; N224-E227 WeakPolarHBondContact ND2-CG 3.37Å; N224-E227 PolarHBondContact ND2-OE2 2.88Å; E227-V229 PolarHBondContact O-N 2.83Å |
| 228 | S | 51.8 | Low | 74.1 | Confident | 107 Ų | 107 | 48.3 Ų | 48.3 | 75% | 0.748 | 25% | 0.251 | S | S | * | . | trans | -57.1 | 131.1 | 177.7 | 51.3 | 0 | 0 | 0 | 0 | 110.9 | S230 | S228-S230 PolarHBondContact O-N 2.94Å; S228-S230 PolarHBondContact O-OG 3.13Å | ||
| 229 | V | 58.1 | Low | 73.9 | Confident | 26 Ų | 26 | 54.1 Ų | 54.1 | 16% | 0.158 | 28% | 0.278 | C | S | . | . | trans | -77.2 | 65.7 | -165.5 | -167.7 | 0 | 0 | 0 | 0 | 112.1 | F32 P222 E227 V231 F232 | F32-V229 HydrophobicContact CB-CB 4.26Å; F32-V229 HydrophobicContact CB-CG2 4.1Å; F32-V229 HydrophobicContact CD2-CB 3.67Å; F32-V229 HydrophobicContact CD2-CG1 3.72Å; F32-V229 HydrophobicContact CD2-CG2 4.04Å; F32-V229 HydrophobicContact CE2-CB 4.27Å; F32-V229 HydrophobicContact CE2-CG1 3.8Å; F32-V229 HydrophobicContact CG-CB 4.13Å; F32-V229 HydrophobicContact CG-CG2 4.03Å; P222-V229 HydrophobicContact CB-CB 4.33Å; P222-V229 HydrophobicContact CB-CG1 3.53Å; P222-V229 HydrophobicContact CB-CG2 3.75Å; E227-V229 PolarHBondContact O-N 2.83Å; V229-V231 VanDerWaalsContact C-N 3.27Å; V229-V231 PolarHBondContact O-N 3.31Å; V229-F232 HydrophobicContact CG1-CB 3.9Å; V229-F232 HydrophobicContact CG1-CD1 4.31Å | ||
| 230 | S | 67.7 | Low | 73.9 | Confident | 36 Ų | 36 | 54.1 Ų | 54.1 | 25% | 0.252 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -65.7 | -28.5 | 175 | 52.4 | 0 | 0 | 0 | 0 | 112.5 | S228 I262 A263 S339 | S228-S230 PolarHBondContact O-N 2.94Å; S228-S230 PolarHBondContact O-OG 3.13Å; S230-I262 WeakPolarHBondContact O-CA 3.5Å; S230-A263 PolarHBondContact O-N 2.8Å; S230-A263 VanDerWaalsContact O-N 3.08Å; S230-S339 VanDerWaalsContact OG-CB 3.26Å; S230-S339 WeakPolarHBondContact OG-CB 3.41Å |
| 231 | V | 75.1 | Confident | 74.1 | Confident | 8 Ų | 8 | 55.4 Ų | 55.4 | 5% | 0.048 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 134.2 | 174.9 | -165.1 | 0 | 0 | 0 | 0 | 110.8 | I223 V229 W261 I262 S339 W341 L350 L393 | I223-V231 HydrophobicContact CD1-CB 4.07Å; I223-V231 HydrophobicContact CD1-CG1 3.56Å; I223-V231 PolarHBondContact N-O 3.47Å; V229-V231 VanDerWaalsContact C-N 3.27Å; V229-V231 PolarHBondContact O-N 3.31Å; V231-W261 VanDerWaalsContact CA-O 3.31Å; V231-W261 WeakPolarHBondContact CA-O 3.01Å; V231-W261 VanDerWaalsContact CG1-O 3.31Å; V231-W261 WeakPolarHBondContact CG1-O 3.43Å; V231-I262 HydrophobicContact CG2-CG1 4.31Å; V231-S339 WeakPolarHBondContact CG2-OG 3.32Å; V231-W341 HydrophobicContact CG2-CZ3 4.21Å; V231-L350 HydrophobicContact CG2-CD2 4.27Å; V231-L393 HydrophobicContact CG1-CD1 3.99Å; V231-L393 HydrophobicContact CG1-CD2 4.25Å |
| 232 | F | 78.2 | Confident | 74.2 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 159.6 | 177.3 | 59.2 | -91.5 | 0 | 0 | 0 | 112.1 | F32 I33 I40 F220 E221 V229 K260 W261 | F32-F232 HydrophobicContact CE2-CD1 4.38Å; I33-F232 HydrophobicContact CD1-CE1 4.47Å; I33-F232 HydrophobicContact CD1-CZ 4.09Å; I33-F232 HydrophobicContact CG1-CE1 4.26Å; I33-F232 HydrophobicContact CG1-CZ 4.34Å; I40-F232 HydrophobicContact CD1-CE1 3.85Å; I40-F232 HydrophobicContact CD1-CZ 3.67Å; I40-F232 HydrophobicContact CG2-CE1 3.93Å; I40-F232 HydrophobicContact CG2-CZ 3.74Å; F220-F232 AromaticContact CD1-CD2 3.97Å; F220-F232 HydrophobicContact CD1-CD2 3.97Å; F220-F232 AromaticContact CD1-CE2 3.53Å; F220-F232 HydrophobicContact CD1-CE2 3.53Å; F220-F232 HydrophobicContact CD1-CZ 4.22Å; F220-F232 AromaticContact CE1-CE2 3.94Å; F220-F232 HydrophobicContact CE1-CE2 3.94Å; F220-F232 HydrophobicContact CE1-CZ 4.39Å; E221-F232 WeakPolarHBondContact O-CA 3.4Å; E221-F232 WeakPolarHBondContact O-CB 3.36Å; V229-F232 HydrophobicContact CG1-CB 3.9Å; V229-F232 HydrophobicContact CG1-CD1 4.31Å; F232-K260 WeakPolarHBondContact O-CA 3.06Å; F232-W261 HydrophobicContact CD1-CB 4.48Å; F232-W261 HydrophobicContact CD2-CB 4Å; F232-W261 HydrophobicContact CE1-CB 4.04Å; F232-W261 HydrophobicContact CE2-CB 3.5Å; F232-W261 VanDerWaalsContact CE2-CB 3.5Å; F232-W261 AromaticContact CE2-CG 3.92Å; F232-W261 HydrophobicContact CE2-CG 3.92Å; F232-W261 HydrophobicContact CG-CB 4.47Å; F232-W261 HydrophobicContact CZ-CB 3.54Å; F232-W261 HydrophobicContact CZ-CG 4.23Å; F232-W261 PolarHBondContact N-O 3.33Å; F232-W261 PolarHBondContact O-N 3.03Å |
| 233 | N | 81.1 | Confident | 74.5 | Confident | 22 Ų | 22 | 60 Ų | 60 | 12% | 0.118 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 135.7 | 168 | -57 | -39.5 | 0 | 0 | 0 | 109.1 | E221 F235 S259 K260 | E221-N233 HydrophobicContact CB-CB 4.35Å; E221-N233 PolarHBondContact N-O 2.84Å; E221-N233 PolarHBondContact O-N 3.34Å; N233-F235 HydrophobicContact CB-CD2 4.33Å; N233-F235 HydrophobicContact CB-CE2 3.73Å; N233-F235 HydrophobicContact CB-CZ 4.43Å; N233-S259 CarbonylContact C-O 3.55Å; N233-S259 WeakPolarHBondContact CA-O 3.39Å; N233-K260 WeakPolarHBondContact OD1-CG 3.39Å; N233-K260 PolarHBondContact OD1-NZ 3.22Å |
| 234 | L | 81.1 | Confident | 75 | Confident | 7 Ų | 7 | 61.1 Ų | 61.1 | 4% | 0.037 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 115.2 | 167.5 | -179.7 | 70.9 | 0 | 0 | 0 | 108.6 | I218 F220 L236 S259 W261 | I218-L234 HydrophobicContact CB-CD1 4.05Å; I218-L234 HydrophobicContact CD1-CD1 4.36Å; F220-L234 HydrophobicContact CD1-CD1 3.75Å; F220-L234 HydrophobicContact CE1-CD1 3.67Å; F220-L234 HydrophobicContact CE2-CD1 4.44Å; F220-L234 HydrophobicContact CG-CD1 4.2Å; F220-L234 HydrophobicContact CZ-CD1 4.04Å; L234-L236 HydrophobicContact CD2-CD2 4.06Å; L234-L236 HydrophobicContact CG-CD2 4.09Å; L234-S259 PolarHBondContact N-O 2.91Å; L234-S259 PolarHBondContact O-N 3.25Å; L234-S259 PolarHBondContact O-OG 2.87Å; L234-W261 VanDerWaalsContact CB-CD1 3.46Å; L234-W261 HydrophobicContact CB-CG 4.41Å; L234-W261 HydrophobicContact CD2-CZ2 3.73Å |
| 235 | F | 84.1 | Confident | 75.9 | Confident | 32 Ų | 32 | 61.5 Ų | 61.5 | 14% | 0.14 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 147.3 | 170.7 | -59 | -105.8 | 0 | 0 | 0 | 109.6 | I218 K219 E221 N233 F254 | I218-F235 WeakPolarHBondContact CA-O 3.49Å; K219-F235 HydrophobicContact CB-CB 4.23Å; K219-F235 HydrophobicContact CD-CD2 4.05Å; K219-F235 HydrophobicContact CD-CG 4.46Å; K219-F235 PolarHBondContact N-O 3.26Å; K219-F235 PolarHBondContact O-N 3.17Å; E221-F235 HydrophobicContact CB-CD2 4.49Å; E221-F235 HydrophobicContact CB-CE2 4.02Å; E221-F235 WeakPolarHBondContact OE2-CE2 3.45Å; E221-F235 WeakPolarHBondContact OE2-CZ 3.21Å; N233-F235 HydrophobicContact CB-CD2 4.33Å; N233-F235 HydrophobicContact CB-CE2 3.73Å; N233-F235 HydrophobicContact CB-CZ 4.43Å; F235-F254 HydrophobicContact CB-CD1 3.86Å |
| 236 | L | 83.9 | Confident | 77.2 | Confident | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 143.8 | -178.8 | -55.2 | 176 | 0 | 0 | 0 | 108.9 | L125 I218 L234 K255 | L125-L236 HydrophobicContact CB-CD1 4.24Å; L125-L236 HydrophobicContact CD2-CD1 3.69Å; L125-L236 HydrophobicContact CG-CD1 3.67Å; I218-L236 HydrophobicContact CB-CD2 4.4Å; I218-L236 HydrophobicContact CG2-CD2 3.58Å; L234-L236 HydrophobicContact CD2-CD2 4.06Å; L234-L236 HydrophobicContact CG-CD2 4.09Å; L236-K255 PolarHBondContact O-N 3.05Å; L236-K255 VanDerWaalsContact O-N 3.08Å |
| 237 | S | 87.4 | Confident | 78.7 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -63.5 | 138.9 | 170 | 63.7 | 0 | 0 | 0 | 0 | 110.3 | Q216 C217 H239 L248 A253 | Q216-S237 WeakPolarHBondContact CG-OG 3.31Å; Q216-S237 PolarHBondContact NE2-O 2.01Å; C217-S237 PolarHBondContact N-OG 2.86Å; C217-S237 PolarHBondContact O-N 2.93Å; S237-H239 PolarHBondContact O-N 3.44Å; S237-H239 PolarHBondContact OG-O 2.81Å; S237-L248 VanDerWaalsContact CB-O 3.31Å; S237-L248 WeakPolarHBondContact CB-O 3.42Å; S237-A253 CarbonylContact C-O 3.52Å; S237-A253 VanDerWaalsContact CA-O 3.23Å; S237-A253 WeakPolarHBondContact CA-O 3.33Å |
| 238 | E | 84.1 | Confident | 80.4 | Confident | 113 Ų | 113 | 50.5 Ų | 50.5 | 53% | 0.528 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -64.4 | -29.3 | -179.3 | -173 | 176.4 | 171.3 | 0 | 0 | 111.7 | S127 A253 K255 | S127-E238 VanDerWaalsContact CB-O 3.32Å; S127-E238 WeakPolarHBondContact CB-O 3.25Å; E238-A253 PolarHBondContact N-O 3.45Å; E238-K255 HydrophobicContact CB-CG 3.93Å; E238-K255 HydrophobicContact CG-CG 4.25Å |
| 239 | H | 84.5 | Confident | 82.1 | Confident | 124 Ų | 124 | 45.7 Ų | 45.7 | 57% | 0.574 | 27% | 0.266 | S | S | * | . | trans | -111.1 | 162.1 | 177 | -54.6 | -23.1 | 0 | 0 | 0 | 111.5 | S237 L248 | S237-H239 PolarHBondContact O-N 3.44Å; S237-H239 PolarHBondContact OG-O 2.81Å; H239-L248 HydrophobicContact CB-CD2 4.12Å | ||
| 240 | T | 86.1 | Confident | 83.4 | Confident | 50 Ų | 50 | 49.5 Ų | 49.5 | 31% | 0.307 | 28% | 0.282 | S | S | . | . | trans | -135.6 | 152.5 | 179.4 | 47.9 | 0 | 0 | 0 | 0 | 109 | S127 L128 I214 Y215 Q216 | S127-T240 PolarHBondContact O-OG1 3.46Å; L128-T240 HydrophobicContact CD2-CG2 3.87Å; I214-T240 HydrophobicContact CG2-CG2 3.99Å; Y215-T240 CarbonylContact O-C 3.58Å; Y215-T240 VanDerWaalsContact O-CA 3.29Å; Y215-T240 WeakPolarHBondContact O-CA 3.37Å; Q216-T240 HydrophobicContact CB-CG2 3.98Å; Q216-T240 HydrophobicContact CG-CG2 3.7Å | ||
| 241 | S | 87.5 | Confident | 84.1 | Confident | 27 Ų | 27 | 52.5 Ų | 52.5 | 19% | 0.189 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -125.9 | 156.1 | 179.1 | -177.6 | 0 | 0 | 0 | 0 | 112 | I214 Y215 T243 | I214-S241 CarbonylContact C-O 3.55Å; I214-S241 WeakPolarHBondContact CA-O 3.5Å; Y215-S241 PolarHBondContact N-O 2.97Å; Y215-S241 PolarHBondContact O-N 2.98Å; S241-T243 VanDerWaalsContact C-N 3.28Å; S241-T243 VanDerWaalsContact CB-O 3.22Å; S241-T243 WeakPolarHBondContact CB-O 3.34Å; S241-T243 PolarHBondContact OG-N 3.03Å; S241-T243 VanDerWaalsContact OG-N 3.07Å; S241-T243 PolarHBondContact OG-O 3.03Å; S241-T243 PolarHBondContact OG-OG1 2.97Å |
| 242 | S | 84.4 | Confident | 84.5 | Confident | 97 Ų | 97 | 57.7 Ų | 57.7 | 68% | 0.678 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -79.3 | -12.2 | 167.4 | 54 | 0 | 0 | 0 | 0 | 113 | ||
| 243 | T | 85 | Confident | 84.7 | Confident | 87 Ų | 87 | 58.9 Ų | 58.9 | 53% | 0.534 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -124.2 | 158.4 | 179.3 | 56 | 0 | 0 | 0 | 0 | 111.2 | Y215 S241 D245 | Y215-T243 VanDerWaalsContact CD2-O 3.3Å; Y215-T243 WeakPolarHBondContact CD2-O 3.27Å; S241-T243 VanDerWaalsContact C-N 3.28Å; S241-T243 VanDerWaalsContact CB-O 3.22Å; S241-T243 WeakPolarHBondContact CB-O 3.34Å; S241-T243 PolarHBondContact OG-N 3.03Å; S241-T243 VanDerWaalsContact OG-N 3.07Å; S241-T243 PolarHBondContact OG-O 3.03Å; S241-T243 PolarHBondContact OG-OG1 2.97Å; T243-D245 PolarHBondContact O-N 2.99Å; T243-D245 VanDerWaalsContact O-N 3.11Å |
| 244 | A | 85.8 | Confident | 84.7 | Confident | 65 Ų | 65 | 59 Ų | 59 | 54% | 0.537 | 34% | 0.342 | S | S | . | . | trans | -70.5 | 106.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | L203 Y215 | L203-A244 HydrophobicContact CD2-CB 4.12Å; Y215-A244 HydrophobicContact CD1-CB 4.01Å; Y215-A244 HydrophobicContact CE1-CB 3.8Å; Y215-A244 HydrophobicContact CE2-CB 4.5Å; Y215-A244 HydrophobicContact CG-CB 4.44Å | ||
| 245 | D | 86.2 | Confident | 84.2 | Confident | 61 Ų | 61 | 60.3 Ų | 60.3 | 33% | 0.326 | 35% | 0.347 | S | S | . | . | trans | -123.9 | 117.7 | 179.6 | -170.2 | -23 | 0 | 0 | 0 | 110.2 | L203 T243 T247 L248 | L203-D245 WeakPolarHBondContact CD1-O 3.19Å; T243-D245 PolarHBondContact O-N 2.99Å; T243-D245 VanDerWaalsContact O-N 3.11Å; D245-T247 VanDerWaalsContact C-N 3.27Å; D245-T247 PolarHBondContact O-N 2.86Å; D245-T247 WeakPolarHBondContact OD1-CB 3.45Å; D245-T247 WeakPolarHBondContact OD1-CG2 3.49Å; D245-T247 PolarHBondContact OD1-N 2.92Å; D245-T247 PolarHBondContact OD1-OG1 2.91Å; D245-T247 PolarHBondContact OD2-OG1 2.84Å; D245-L248 HydrophobicContact CB-CG 4.38Å; D245-L248 WeakPolarHBondContact O-CB 3.39Å; D245-L248 WeakPolarHBondContact O-CG 3.36Å; D245-L248 PolarHBondContact O-N 2.88Å | ||
| 246 | L | 83.7 | Confident | 83.4 | Confident | 82 Ų | 82 | 67.8 Ų | 67.8 | 43% | 0.429 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -73 | -16.2 | -179.6 | -69.2 | 171 | 0 | 0 | 0 | 113.2 | W195 L203 L248 C249 | W195-L246 HydrophobicContact CB-CD2 3.95Å; W195-L246 HydrophobicContact CD2-CD2 4.13Å; W195-L246 HydrophobicContact CG-CD2 3.61Å; L203-L246 HydrophobicContact CD2-CD2 4.13Å; L246-L248 PolarHBondContact O-N 2.83Å; L246-C249 WeakPolarHBondContact O-CB 3.43Å; L246-C249 PolarHBondContact O-N 3.31Å |
| 247 | T | 86.4 | Confident | 82.6 | Confident | 96 Ų | 96 | 71.8 Ų | 71.8 | 59% | 0.589 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -64.9 | -24.7 | 175.5 | 64.6 | 0 | 0 | 0 | 0 | 112.3 | D245 C249 H250 | D245-T247 VanDerWaalsContact C-N 3.27Å; D245-T247 PolarHBondContact O-N 2.86Å; D245-T247 WeakPolarHBondContact OD1-CB 3.45Å; D245-T247 WeakPolarHBondContact OD1-CG2 3.49Å; D245-T247 PolarHBondContact OD1-N 2.92Å; D245-T247 PolarHBondContact OD1-OG1 2.91Å; D245-T247 PolarHBondContact OD2-OG1 2.84Å; T247-C249 PolarHBondContact O-N 2.89Å; T247-H250 VanDerWaalsContact O-CB 3.32Å; T247-H250 WeakPolarHBondContact O-CB 3.42Å; T247-H250 PolarHBondContact O-N 2.88Å |
| 248 | L | 85.9 | Confident | 82 | Confident | 15 Ų | 15 | 72.4 Ų | 72.4 | 8% | 0.079 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -59.2 | -23.2 | 170.3 | -61.4 | 179.2 | 0 | 0 | 0 | 113 | L203 C217 S237 H239 D245 L246 | L203-L248 HydrophobicContact CD1-CB 4.37Å; L203-L248 HydrophobicContact CD1-CD1 4.23Å; C217-L248 HydrophobicContact CB-CB 4.2Å; C217-L248 WeakPolarHBondContact CB-O 3.43Å; S237-L248 VanDerWaalsContact CB-O 3.31Å; S237-L248 WeakPolarHBondContact CB-O 3.42Å; H239-L248 HydrophobicContact CB-CD2 4.12Å; D245-L248 HydrophobicContact CB-CG 4.38Å; D245-L248 WeakPolarHBondContact O-CB 3.39Å; D245-L248 WeakPolarHBondContact O-CG 3.36Å; D245-L248 PolarHBondContact O-N 2.88Å; L246-L248 PolarHBondContact O-N 2.83Å |
| 249 | C | 87.9 | Confident | 81.4 | Confident | 6 Ų | 6 | 67.3 Ų | 67.3 | 4% | 0.041 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -93 | 4.9 | 177.5 | -67.3 | 0 | 0 | 0 | 0 | 114.3 | I201 C217 L246 T247 | I201-C249 HydrophobicContact CG2-CB 4.16Å; C217-C249 HydrophobicContact CB-CB 3.89Å; C217-C249 WeakPolarHBondContact CB-SG 3.29Å; C217-C249 WeakPolarHBondContact SG-CA 3.3Å; C217-C249 WeakPolarHBondContact SG-CB 3.43Å; C217-C249 CovalentContact SG-SG 2.03Å; C217-C249 PolarHBondContact SG-SG 3.48Å; L246-C249 WeakPolarHBondContact O-CB 3.43Å; L246-C249 PolarHBondContact O-N 3.31Å; T247-C249 PolarHBondContact O-N 2.89Å |
| 250 | H | 86.3 | Confident | 81 | Confident | 106 Ų | 106 | 62.1 Ų | 62.1 | 49% | 0.491 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -63.8 | 140.4 | 174.1 | -167.1 | -105.5 | 0 | 0 | 0 | 110.4 | T247 T252 A253 | T247-H250 VanDerWaalsContact O-CB 3.32Å; T247-H250 WeakPolarHBondContact O-CB 3.42Å; T247-H250 PolarHBondContact O-N 2.88Å; H250-T252 PolarHBondContact ND1-OG1 3.15Å; H250-T252 PolarHBondContact O-N 3.26Å; H250-A253 HydrophobicContact CB-CB 4.44Å; H250-A253 WeakPolarHBondContact O-CB 3.49Å; H250-A253 PolarHBondContact O-N 2.91Å |
| 251 | P | 81.1 | Confident | 80.5 | Confident | 98 Ų | 98 | 60 Ų | 60 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -55.3 | -28.7 | -176 | -30.2 | 37.1 | 0 | 0 | 0 | 115.1 | A253 | P251-A253 VanDerWaalsContact C-N 3.35Š|
| 252 | T | 83.7 | Confident | 79.8 | Confident | 117 Ų | 117 | 58.8 Ų | 58.8 | 72% | 0.718 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -82.2 | -6.9 | 177.3 | 65.9 | 0 | 0 | 0 | 0 | 114.5 | H250 | H250-T252 PolarHBondContact ND1-OG1 3.15Å; H250-T252 PolarHBondContact O-N 3.26Å |
| 253 | A | 82.5 | Confident | 78.8 | Confident | 25 Ų | 25 | 55.1 Ų | 55.1 | 21% | 0.207 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -91.1 | -6.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S237 E238 H250 P251 | S237-A253 CarbonylContact C-O 3.52Å; S237-A253 VanDerWaalsContact CA-O 3.23Å; S237-A253 WeakPolarHBondContact CA-O 3.33Å; E238-A253 PolarHBondContact N-O 3.45Å; H250-A253 HydrophobicContact CB-CB 4.44Å; H250-A253 WeakPolarHBondContact O-CB 3.49Å; H250-A253 PolarHBondContact O-N 2.91Å; P251-A253 VanDerWaalsContact C-N 3.35Å |
| 254 | F | 81.8 | Confident | 77.5 | Confident | 26 Ų | 26 | 52 Ų | 52 | 11% | 0.114 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -79.2 | 139.6 | 172.6 | -70.9 | -80.3 | 0 | 0 | 0 | 111.4 | I201 C217 K219 F235 | I201-F254 HydrophobicContact CG2-CE2 4.46Å; I201-F254 HydrophobicContact CG2-CZ 4.02Å; C217-F254 HydrophobicContact CB-CE1 4.31Å; C217-F254 HydrophobicContact CB-CZ 4.04Å; K219-F254 HydrophobicContact CB-CD1 4.38Å; K219-F254 HydrophobicContact CB-CE1 3.8Å; K219-F254 HydrophobicContact CB-CZ 4Å; F235-F254 HydrophobicContact CB-CD1 3.86Å |
| 255 | K | 69.8 | Low | 76 | Confident | 33 Ų | 33 | 50.6 Ų | 50.6 | 14% | 0.143 | 28% | 0.278 | C | S | . | . | trans | -60.5 | 148 | 166.8 | -67 | -174.4 | 176.1 | -171 | 0 | 110.8 | L124 T126 L236 E238 | L124-K255 PolarHBondContact O-NZ 2.87Å; T126-K255 PolarHBondContact OG1-NZ 2.92Å; L236-K255 PolarHBondContact O-N 3.05Å; L236-K255 VanDerWaalsContact O-N 3.08Å; E238-K255 HydrophobicContact CB-CG 3.93Å; E238-K255 HydrophobicContact CG-CG 4.25Å | ||
| 256 | Q | 68 | Low | 74.2 | Confident | 189 Ų | 189 | 48.9 Ų | 48.9 | 88% | 0.883 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -67.3 | -35.8 | 171.8 | -67.1 | -179 | -17.3 | 0 | 0 | 112.1 | S258 | Q256-S258 PolarHBondContact O-N 2.89Š|
| 257 | D | 67.7 | Low | 72.3 | Confident | 91 Ų | 91 | 48 Ų | 48 | 49% | 0.487 | 27% | 0.27 | S | S | . | . | trans | -81.2 | 114.3 | 178.9 | -65.4 | -41.9 | 0 | 0 | 0 | 112.2 | L124 | L124-D257 HydrophobicContact CD2-CB 4.27Š| ||
| 258 | S | 72.7 | Confident | 70 | Confident | 13 Ų | 13 | 49.5 Ų | 49.5 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -89.8 | 144.2 | 171.7 | 66 | 0 | 0 | 0 | 0 | 112.8 | Q256 S395 | Q256-S258 PolarHBondContact O-N 2.89Å; S258-S395 WeakPolarHBondContact O-CB 3.3Å; S258-S395 PolarHBondContact O-OG 3.36Å; S258-S395 VanDerWaalsContact O-OG 3.12Å |
| 259 | S | 72.7 | Confident | 67.9 | Low | 5 Ų | 5 | 52.5 Ų | 52.5 | 4% | 0.035 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 145.8 | 163.4 | 58.2 | 0 | 0 | 0 | 0 | 110.8 | N233 L234 W261 | N233-S259 CarbonylContact C-O 3.55Å; N233-S259 WeakPolarHBondContact CA-O 3.39Å; L234-S259 PolarHBondContact N-O 2.91Å; L234-S259 PolarHBondContact O-N 3.25Å; L234-S259 PolarHBondContact O-OG 2.87Å; S259-W261 PolarHBondContact OG-NE1 3.46Å |
| 260 | K | 75.3 | Confident | 65.6 | Low | 15 Ų | 15 | 61.2 Ų | 61.2 | 7% | 0.065 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 142.8 | 172.7 | -74.1 | 178 | -167.1 | -60.4 | 0 | 110.7 | M42 I223 F232 N233 L393 S395 | M42-K260 WeakPolarHBondContact CG-O 2.97Å; I223-K260 HydrophobicContact CD1-CD 4.12Å; I223-K260 HydrophobicContact CD1-CG 4.31Å; F232-K260 WeakPolarHBondContact O-CA 3.06Å; N233-K260 WeakPolarHBondContact OD1-CG 3.39Å; N233-K260 PolarHBondContact OD1-NZ 3.22Å; K260-L393 HydrophobicContact CB-CD2 3.49Å; K260-L393 VanDerWaalsContact CB-CD2 3.49Å; K260-L393 HydrophobicContact CB-CG 3.96Å; K260-S395 WeakPolarHBondContact CE-OG 3.44Å |
| 261 | W | 75.8 | Confident | 63.4 | Low | 5 Ų | 5 | 61.2 Ų | 61.2 | 2% | 0.019 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 149.1 | -174.8 | -70.5 | 72.4 | 0 | 0 | 0 | 110.9 | I40 M42 L96 M98 L109 V231 F232 L234 S259 | I40-W261 HydrophobicContact CB-CE3 4.41Å; I40-W261 HydrophobicContact CG2-CB 4.06Å; I40-W261 HydrophobicContact CG2-CE3 3.76Å; M42-W261 HydrophobicContact CB-CD2 3.65Å; M42-W261 HydrophobicContact CB-CE3 3.7Å; M42-W261 HydrophobicContact CB-CG 4.37Å; M42-W261 HydrophobicContact CB-CH2 3.75Å; M42-W261 HydrophobicContact CB-CZ2 3.68Å; M42-W261 HydrophobicContact CB-CZ3 3.74Å; M42-W261 HydrophobicContact CG-CD2 3.93Å; M42-W261 HydrophobicContact CG-CE3 4.48Å; M42-W261 HydrophobicContact CG-CG 4.27Å; M42-W261 HydrophobicContact CG-CZ2 3.94Å; M42-W261 HydrophobicContact SD-CZ2 3.82Å; L96-W261 HydrophobicContact CB-CH2 4.38Å; M98-W261 HydrophobicContact CB-CE3 4.41Å; M98-W261 HydrophobicContact CB-CH2 4.02Å; M98-W261 HydrophobicContact CB-CZ3 3.52Å; M98-W261 HydrophobicContact CE-CD2 4.46Å; M98-W261 HydrophobicContact CE-CE3 4.04Å; M98-W261 HydrophobicContact CE-CH2 4.03Å; M98-W261 HydrophobicContact CE-CZ2 4.44Å; M98-W261 HydrophobicContact CE-CZ3 3.83Å; L109-W261 HydrophobicContact CD1-CH2 3.97Å; V231-W261 VanDerWaalsContact CA-O 3.31Å; V231-W261 WeakPolarHBondContact CA-O 3.01Å; V231-W261 VanDerWaalsContact CG1-O 3.31Å; V231-W261 WeakPolarHBondContact CG1-O 3.43Å; F232-W261 HydrophobicContact CD1-CB 4.48Å; F232-W261 HydrophobicContact CD2-CB 4Å; F232-W261 HydrophobicContact CE1-CB 4.04Å; F232-W261 HydrophobicContact CE2-CB 3.5Å; F232-W261 VanDerWaalsContact CE2-CB 3.5Å; F232-W261 AromaticContact CE2-CG 3.92Å; F232-W261 HydrophobicContact CE2-CG 3.92Å; F232-W261 HydrophobicContact CG-CB 4.47Å; F232-W261 HydrophobicContact CZ-CB 3.54Å; F232-W261 HydrophobicContact CZ-CG 4.23Å; F232-W261 PolarHBondContact N-O 3.33Å; F232-W261 PolarHBondContact O-N 3.03Å; L234-W261 VanDerWaalsContact CB-CD1 3.46Å; L234-W261 HydrophobicContact CB-CG 4.41Å; L234-W261 HydrophobicContact CD2-CZ2 3.73Å; S259-W261 PolarHBondContact OG-NE1 3.46Å |
| 262 | I | 72.3 | Confident | 62 | Low | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.015 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 123.1 | -178.8 | -70.8 | 151.9 | 0 | 0 | 0 | 109.5 | I40 W41 T43 S230 V231 H338 L350 F362 L393 | I40-I262 WeakPolarHBondContact CA-O 3.44Å; I40-I262 WeakPolarHBondContact CG2-O 3.38Å; W41-I262 PolarHBondContact N-O 3.37Å; W41-I262 PolarHBondContact O-N 3.43Å; T43-I262 HydrophobicContact CG2-CD1 3.74Å; S230-I262 WeakPolarHBondContact O-CA 3.5Å; V231-I262 HydrophobicContact CG2-CG1 4.31Å; I262-H338 WeakPolarHBondContact CG2-NE2 3.41Å; I262-L350 HydrophobicContact CD1-CD1 4.3Å; I262-L350 HydrophobicContact CD1-CD2 3.45Å; I262-L350 VanDerWaalsContact CD1-CD2 3.45Å; I262-L350 HydrophobicContact CG1-CD2 3.64Å; I262-F362 HydrophobicContact CD1-CD1 4.18Å; I262-F362 HydrophobicContact CD1-CE1 4.17Å; I262-F362 HydrophobicContact CG2-CE1 4.48Å; I262-L393 HydrophobicContact CD1-CB 3.96Å; I262-L393 HydrophobicContact CD1-CD1 4.29Å; I262-L393 HydrophobicContact CD1-CD2 3.72Å; I262-L393 HydrophobicContact CD1-CG 4.21Å; I262-L393 HydrophobicContact CG1-CD1 4.42Å; I262-L393 HydrophobicContact CG1-CD2 3.76Å |
| 263 | A | 64.2 | Low | 60.7 | Low | 19 Ų | 19 | 58.8 Ų | 58.8 | 16% | 0.157 | 32% | 0.319 | C | S | . | . | trans | -66.2 | 142.9 | 167 | 0 | 0 | 0 | 0 | 0 | 109.9 | S230 L265 | S230-A263 PolarHBondContact O-N 2.8Å; S230-A263 VanDerWaalsContact O-N 3.08Å; A263-L265 PolarHBondContact O-N 3.13Å | ||
| 264 | T | 58 | Low | 60.1 | Low | 22 Ų | 22 | 60.4 Ų | 60.4 | 14% | 0.135 | 33% | 0.326 | C | S | . | . | trans | -63.6 | 132.4 | -166.7 | -19 | 0 | 0 | 0 | 0 | 113.3 | S36 E38 S39 S266 | S36-T264 PolarHBondContact OG-OG1 2.86Å; E38-T264 HydrophobicContact CB-CG2 3.9Å; E38-T264 PolarHBondContact O-OG1 2.7Å; S39-T264 PolarHBondContact N-OG1 3.46Å; S39-T264 WeakPolarHBondContact O-CG2 3.43Å; S39-T264 PolarHBondContact O-OG1 3.27Å; T264-S266 PolarHBondContact O-N 2.88Å | ||
| 265 | L | 53.5 | Low | 59.9 | Low | 35 Ų | 35 | 61.4 Ų | 61.4 | 18% | 0.183 | 33% | 0.333 | C | S | . | . | trans | -58.8 | 100 | 152.1 | -73.2 | 166 | 0 | 0 | 0 | 108.5 | A263 Y352 Y360 F362 | A263-L265 PolarHBondContact O-N 3.13Å; L265-Y352 HydrophobicContact CD1-CD1 4.2Å; L265-Y352 HydrophobicContact CD1-CD2 3.42Å; L265-Y352 VanDerWaalsContact CD1-CD2 3.42Å; L265-Y352 HydrophobicContact CD1-CE1 4.13Å; L265-Y352 HydrophobicContact CD1-CE2 3.34Å; L265-Y352 HydrophobicContact CD1-CG 3.85Å; L265-Y352 HydrophobicContact CD2-CE1 4.2Å; L265-Y352 HydrophobicContact CD2-CE2 4.32Å; L265-Y352 HydrophobicContact CG-CE2 4.47Å; L265-Y360 HydrophobicContact CD1-CD1 4.26Å; L265-Y360 HydrophobicContact CD1-CE1 4.36Å; L265-Y360 HydrophobicContact CD1-CG 4.41Å; L265-F362 HydrophobicContact CD1-CE1 4.31Å; L265-F362 HydrophobicContact CD1-CZ 3.99Å | ||
| 266 | S | 48.7 | Very low | 60.6 | Low | 26 Ų | 26 | 60.2 Ų | 60.2 | 18% | 0.182 | 33% | 0.328 | C | S | . | . | trans | -67.1 | 127.5 | 168.3 | 171.2 | 0 | 0 | 0 | 0 | 108.5 | T264 N268 T269 | T264-S266 PolarHBondContact O-N 2.88Å; S266-N268 PolarHBondContact O-N 3.26Å; S266-N268 VanDerWaalsContact O-N 3.09Å; S266-T269 WeakPolarHBondContact CB-OG1 3.11Å; S266-T269 PolarHBondContact O-N 2.85Å; S266-T269 PolarHBondContact O-OG1 2.91Å; S266-T269 VanDerWaalsContact O-OG1 3.12Å | ||
| 267 | P | 43.3 | Very low | 61.4 | Low | 62 Ų | 62 | 54.1 Ų | 54.1 | 40% | 0.403 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -13.4 | -177.5 | 27.9 | -35.7 | 0 | 0 | 0 | 113 | E38 | E38-P267 VanDerWaalsContact OE2-CD 3.24Å; E38-P267 WeakPolarHBondContact OE2-CD 3.3Å |
| 268 | N | 38.7 | Very low | 62.3 | Low | 128 Ų | 128 | 49.8 Ų | 49.8 | 68% | 0.684 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | -7.1 | -175.8 | -66.3 | -5.4 | 0 | 0 | 0 | 113.9 | S266 E270 | S266-N268 PolarHBondContact O-N 3.26Å; S266-N268 VanDerWaalsContact O-N 3.09Å; N268-E270 PolarHBondContact O-N 2.88Å |
| 269 | T | 41.2 | Very low | 62.9 | Low | 79 Ų | 79 | 51.2 Ų | 51.2 | 49% | 0.485 | 29% | 0.292 | S | S | . | . | trans | -82.9 | 99.2 | 176.7 | 47.7 | 0 | 0 | 0 | 0 | 110.4 | S266 L271 | S266-T269 WeakPolarHBondContact CB-OG1 3.11Å; S266-T269 PolarHBondContact O-N 2.85Å; S266-T269 PolarHBondContact O-OG1 2.91Å; S266-T269 VanDerWaalsContact O-OG1 3.12Å; T269-L271 PolarHBondContact O-N 3.43Å | ||
| 270 | E | 41.4 | Very low | 63.3 | Low | 188 Ų | 188 | 51 Ų | 51 | 88% | 0.879 | 29% | 0.29 | S | S | * | . | trans | -68 | -3.3 | 168.9 | -61.3 | -175.9 | 136 | 0 | 0 | 113 | N268 S272 | N268-E270 PolarHBondContact O-N 2.88Å; E270-S272 PolarHBondContact O-N 2.84Å | ||
| 271 | L | 40 | Very low | 63.7 | Low | 107 Ų | 107 | 50.3 Ų | 50.3 | 56% | 0.56 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -62.4 | 117.6 | 178 | -87.4 | 71.1 | 0 | 0 | 0 | 111.6 | T269 K273 | T269-L271 PolarHBondContact O-N 3.43Å; L271-K273 PolarHBondContact O-N 3.4Å |
| 272 | S | 50.1 | Low | 64 | Low | 97 Ų | 97 | 50.1 Ų | 50.1 | 68% | 0.678 | 29% | 0.287 | S | S | * | . | trans | 42.9 | 74.9 | 154.1 | 61.6 | 0 | 0 | 0 | 0 | 116.2 | E270 T274 | E270-S272 PolarHBondContact O-N 2.84Å; S272-T274 PolarHBondContact O-N 2.82Å | ||
| 273 | K | 57.8 | Low | 64.4 | Low | 66 Ų | 66 | 50.4 Ų | 50.4 | 29% | 0.287 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 121.2 | 159.8 | -67.3 | -173.2 | -175.1 | -172.3 | 0 | 109.6 | L271 L275 Q336 | L271-K273 PolarHBondContact O-N 3.4Å; K273-L275 PolarHBondContact O-N 3.33Å; K273-Q336 VanDerWaalsContact NZ-CD 3.25Å; K273-Q336 VanDerWaalsContact NZ-NE2 3.14Å |
| 274 | T | 69.7 | Low | 65.3 | Low | 60 Ų | 60 | 49.5 Ų | 49.5 | 37% | 0.368 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 126.3 | 177.5 | -53 | 0 | 0 | 0 | 0 | 110.3 | S272 C337 H338 | S272-T274 PolarHBondContact O-N 2.82Å; T274-C337 WeakPolarHBondContact O-CB 3.48Å; T274-H338 PolarHBondContact OG1-O 2.83Å |
| 275 | L | 77.8 | Confident | 66.2 | Low | 47 Ų | 47 | 49.3 Ų | 49.3 | 25% | 0.246 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 143.6 | 174.2 | -64.1 | -179.4 | 0 | 0 | 0 | 110.6 | K273 L311 I534 | K273-L275 PolarHBondContact O-N 3.33Å; L275-L311 HydrophobicContact CD1-CD2 3.68Å; L275-L311 HydrophobicContact CD2-CB 4.37Å; L275-L311 HydrophobicContact CD2-CD2 3.69Å; L275-L311 HydrophobicContact CG-CD2 4.32Å; L275-I534 HydrophobicContact CD1-CD1 4.3Å; L275-I534 HydrophobicContact CD1-CG2 3.86Å; L275-I534 HydrophobicContact CG-CD1 4.36Å |
| 276 | C | 84.5 | Confident | 67.4 | Low | 8 Ų | 8 | 50 Ų | 50 | 5% | 0.054 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 134 | 167.9 | -54.2 | 0 | 0 | 0 | 0 | 110.5 | I278 S307 E308 I315 C337 | C276-I278 PolarHBondContact O-N 3.49Å; C276-S307 WeakPolarHBondContact CB-OG 3.29Å; C276-E308 HydrophobicContact CB-CG 3.82Å; C276-E308 PolarHBondContact N-OE1 2.95Å; C276-E308 PolarHBondContact SG-OE1 3.34Å; C276-I315 HydrophobicContact CB-CD1 4.39Å; C276-I315 HydrophobicContact CB-CG1 4.24Å; C276-I315 WeakPolarHBondContact SG-CG1 3.38Å; C276-C337 WeakPolarHBondContact CA-SG 3.3Å; C276-C337 HydrophobicContact CB-CB 4.05Å; C276-C337 WeakPolarHBondContact CB-SG 3.32Å; C276-C337 WeakPolarHBondContact SG-CB 3.3Å; C276-C337 CovalentContact SG-SG 2.03Å; C276-C337 PolarHBondContact SG-SG 2.03Å |
| 277 | P | 84.4 | Confident | 69.1 | Low | 60 Ų | 60 | 49 Ų | 49 | 39% | 0.39 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -77.8 | -3.3 | 176.5 | 34.1 | -36.8 | 0 | 0 | 0 | 112.5 | T340 I349 | P277-T340 HydrophobicContact CG-CG2 3.78Å; P277-I349 HydrophobicContact CG-CD1 3.67Å; P277-I349 HydrophobicContact CG-CG1 3.66Å |
| 278 | I | 87 | Confident | 71.1 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -90 | 127.6 | 163.5 | -57.2 | 171.7 | 0 | 0 | 0 | 106.7 | C276 F282 L305 S307 I349 L365 Y367 L370 I387 | C276-I278 PolarHBondContact O-N 3.49Å; I278-F282 HydrophobicContact CG2-CD2 4.39Å; I278-F282 HydrophobicContact CG2-CE2 3.52Å; I278-F282 HydrophobicContact CG2-CZ 3.74Å; I278-L305 HydrophobicContact CG2-CD2 4.32Å; I278-S307 WeakPolarHBondContact O-CB 3.39Å; I278-S307 PolarHBondContact O-OG 3.13Å; I278-I349 HydrophobicContact CD1-CD1 3.53Å; I278-I349 HydrophobicContact CG1-CD1 3.69Å; I278-L365 HydrophobicContact CD1-CD1 4.32Å; I278-Y367 HydrophobicContact CD1-CE1 4.44Å; I278-Y367 HydrophobicContact CG1-CE1 4.49Å; I278-L370 HydrophobicContact CB-CD1 4.27Å; I278-L370 HydrophobicContact CD1-CD2 4.08Å; I278-L370 HydrophobicContact CG1-CD1 3.75Å; I278-L370 HydrophobicContact CG1-CD2 3.76Å; I278-L370 HydrophobicContact CG1-CG 4.41Å; I278-L370 HydrophobicContact CG2-CD1 4.5Å; I278-I387 HydrophobicContact CD1-CD1 3.89Å | ||
| 279 | S | 84.5 | Confident | 73.3 | Confident | 44 Ų | 44 | 41.6 Ų | 41.6 | 31% | 0.308 | 23% | 0.232 | S | C | . | . | trans | -126.2 | 150.3 | 172.1 | 62.5 | 0 | 0 | 0 | 0 | 111 | F282 S307 R439 | S279-F282 VanDerWaalsContact O-CE2 3.3Å; S279-F282 WeakPolarHBondContact O-CE2 3.45Å; S279-F282 WeakPolarHBondContact O-CZ 3.36Å; S279-S307 CarbonylContact C-O 3.36Å; S279-S307 WeakPolarHBondContact CA-O 3.37Å; S279-R439 PolarHBondContact O-NH1 3.44Å; S279-R439 PolarHBondContact O-NH2 3.37Å; S279-R439 VanDerWaalsContact O-NH2 3.1Å | ||
| 280 | G | 81.8 | Confident | 75.1 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 95 | -173 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | F282 S307 T562 C565 | G280-F282 WeakPolarHBondContact O-CD2 3.38Å; G280-F282 WeakPolarHBondContact O-CE2 3.34Å; G280-S307 PolarHBondContact N-O 2.81Å; G280-S307 PolarHBondContact O-N 3.37Å; G280-T562 VanDerWaalsContact CA-OG1 3.22Å; G280-T562 WeakPolarHBondContact CA-OG1 3.42Å; G280-C565 VanDerWaalsContact CA-SG 3.53Å |
| 281 | G | 82.4 | Confident | 76.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 145 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L305 A440 N563 G564 | G281-L305 CarbonylContact C-O 3.57Å; G281-L305 WeakPolarHBondContact CA-O 3.19Å; G281-A440 PolarHBondContact O-N 3.39Å; G281-N563 PolarHBondContact N-O 3.17Å; G281-G564 WeakPolarHBondContact CA-O 3.28Å |
| 282 | F | 83.5 | Confident | 78.2 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 140.2 | -171.1 | -58.1 | -99.2 | 0 | 0 | 0 | 111.4 | I278 S279 G280 T304 L305 P371 I437 R438 R439 | I278-F282 HydrophobicContact CG2-CD2 4.39Å; I278-F282 HydrophobicContact CG2-CE2 3.52Å; I278-F282 HydrophobicContact CG2-CZ 3.74Å; S279-F282 VanDerWaalsContact O-CE2 3.3Å; S279-F282 WeakPolarHBondContact O-CE2 3.45Å; S279-F282 WeakPolarHBondContact O-CZ 3.36Å; G280-F282 WeakPolarHBondContact O-CD2 3.38Å; G280-F282 WeakPolarHBondContact O-CE2 3.34Å; F282-T304 CarbonylContact O-C 3.56Å; F282-T304 VanDerWaalsContact O-CA 3.26Å; F282-T304 WeakPolarHBondContact O-CA 3.15Å; F282-L305 HydrophobicContact CB-CB 4.35Å; F282-L305 HydrophobicContact CB-CD2 4.49Å; F282-L305 HydrophobicContact CD2-CD2 3.55Å; F282-L305 HydrophobicContact CE2-CD2 4.16Å; F282-L305 HydrophobicContact CG-CD2 4.32Å; F282-L305 PolarHBondContact N-O 3.15Å; F282-L305 PolarHBondContact O-N 3.35Å; F282-P371 HydrophobicContact CD1-CG 4.27Å; F282-P371 HydrophobicContact CE1-CB 4.34Å; F282-P371 HydrophobicContact CE1-CG 4.22Å; F282-I437 HydrophobicContact CB-CB 4.38Å; F282-I437 HydrophobicContact CD1-CD1 3.85Å; F282-I437 HydrophobicContact CE1-CD1 4.19Å; F282-I437 HydrophobicContact CG-CD1 4.4Å; F282-R438 CarbonylContact C-O 3.47Å; F282-R438 WeakPolarHBondContact CA-O 3.21Å; F282-R438 WeakPolarHBondContact CB-O 3.22Å; F282-R439 HydrophobicContact CD1-CG 4.31Å; F282-R439 HydrophobicContact CE1-CG 3.92Å |
| 283 | Q | 81 | Confident | 79.5 | Confident | 10 Ų | 10 | 27.7 Ų | 27.7 | 5% | 0.047 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 136.7 | 170.3 | -70.6 | 176.4 | -12.6 | 0 | 0 | 110.3 | V301 Y381 I437 R438 A440 | Q283-V301 HydrophobicContact CB-CG1 4.28Å; Q283-Y381 PolarHBondContact NE2-OH 2.92Å; Q283-I437 WeakPolarHBondContact O-CA 3.07Å; Q283-R438 HydrophobicContact CB-CG 4.18Å; Q283-R438 PolarHBondContact N-O 2.99Å; Q283-R438 PolarHBondContact O-N 3.08Å; Q283-R438 VanDerWaalsContact OE1-CZ 3.3Å; Q283-A440 HydrophobicContact CG-CB 4.13Å |
| 284 | I | 82.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 129.8 | 173.1 | -61.9 | 157.7 | 0 | 0 | 0 | 109.2 | H286 I287 S303 L305 W317 I435 Q436 I437 | I284-H286 WeakPolarHBondContact CG2-O 3.07Å; I284-I287 HydrophobicContact CG2-CG1 4.05Å; I284-S303 WeakPolarHBondContact CB-O 3.28Å; I284-S303 WeakPolarHBondContact CB-OG 3.33Å; I284-S303 WeakPolarHBondContact CG2-OG 3.38Å; I284-S303 PolarHBondContact N-O 2.85Å; I284-L305 HydrophobicContact CD1-CB 4.37Å; I284-W317 HydrophobicContact CD1-CE3 3.74Å; I284-W317 HydrophobicContact CD1-CZ3 3.66Å; I284-I435 HydrophobicContact CB-CG2 4.47Å; I284-I435 HydrophobicContact CD1-CG2 4.33Å; I284-I435 HydrophobicContact CG1-CG2 4Å; I284-I435 HydrophobicContact CG2-CG2 3.68Å; I284-Q436 VanDerWaalsContact CA-O 3.29Å; I284-Q436 WeakPolarHBondContact CA-O 3.37Å; I284-I437 HydrophobicContact CG1-CG2 3.99Å |
| 285 | S | 77.1 | Confident | 80.8 | Confident | 18 Ų | 18 | 30.6 Ų | 30.6 | 13% | 0.126 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -39.6 | 176.7 | 60.5 | 0 | 0 | 0 | 0 | 113.8 | Y302 Q436 | S285-Y302 PolarHBondContact O-OH 2.78Å; S285-Q436 PolarHBondContact N-O 2.85Å; S285-Q436 WeakPolarHBondContact OG-CB 3.15Å |
| 286 | H | 78.8 | Confident | 80.8 | Confident | 50 Ų | 50 | 31.3 Ų | 31.3 | 23% | 0.231 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 167.3 | 174.4 | 65.4 | -113.8 | 0 | 0 | 0 | 112.2 | I284 V295 P299 Q436 | I284-H286 WeakPolarHBondContact CG2-O 3.07Å; H286-V295 HydrophobicContact CB-CG1 3.86Å; H286-P299 HydrophobicContact CB-CB 4.43Å; H286-Q436 VanDerWaalsContact CE1-CG 3.41Å; H286-Q436 WeakPolarHBondContact CE1-CG 3.08Å; H286-Q436 VanDerWaalsContact NE2-CG 3.33Å; H286-Q436 WeakPolarHBondContact NE2-CG 3.46Å; H286-Q436 PolarHBondContact O-N 3.17Å |
| 287 | I | 84.8 | Confident | 80.2 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 119.5 | 172.3 | -58.5 | 179 | 0 | 0 | 0 | 107.5 | I284 V295 L296 F319 P326 Y433 E434 I435 | I284-I287 HydrophobicContact CG2-CG1 4.05Å; I287-V295 WeakPolarHBondContact O-CA 3.2Å; I287-V295 WeakPolarHBondContact O-CG1 3.24Å; I287-L296 HydrophobicContact CB-CD1 4.45Å; I287-L296 HydrophobicContact CG2-CD1 3.79Å; I287-L296 HydrophobicContact CG2-CG 4.43Å; I287-L296 PolarHBondContact O-N 2.86Å; I287-F319 HydrophobicContact CD1-CE1 3.77Å; I287-P326 HydrophobicContact CD1-CG 4.36Å; I287-Y433 HydrophobicContact CG2-CD1 3.98Å; I287-Y433 HydrophobicContact CG2-CG 4.34Å; I287-E434 WeakPolarHBondContact CA-O 3.22Å; I287-I435 HydrophobicContact CB-CG1 4.43Å; I287-I435 HydrophobicContact CD1-CD1 3.99Å; I287-I435 HydrophobicContact CG1-CD1 4.02Å; I287-I435 HydrophobicContact CG1-CG1 4.01Å; I287-I435 HydrophobicContact CG1-CG2 4.27Å; I287-I435 HydrophobicContact CG2-CD1 4.23Å; I287-I435 HydrophobicContact CG2-CG1 4.04Å |
| 288 | L | 85.2 | Confident | 79 | Confident | 22 Ų | 22 | 37.3 Ų | 37.3 | 12% | 0.115 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 121.6 | -178.7 | -179.8 | 71.3 | 0 | 0 | 0 | 109.4 | L290 V295 Y433 E434 | L288-L290 HydrophobicContact CB-CD2 4.37Å; L288-L290 HydrophobicContact CD2-CD2 3.57Å; L288-L290 HydrophobicContact CG-CD2 3.82Å; L288-L290 PolarHBondContact O-N 3.33Å; L288-V295 HydrophobicContact CD1-CG2 4.03Å; L288-Y433 WeakPolarHBondContact O-CA 3.43Å; L288-E434 HydrophobicContact CB-CB 4.45Å; L288-E434 PolarHBondContact N-O 3.42Å; L288-E434 PolarHBondContact O-N 3.04Å |
| 289 | D | 83.4 | Confident | 77.5 | Confident | 13 Ų | 13 | 40.5 Ų | 40.5 | 7% | 0.07 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 116.5 | 166.6 | -166.3 | -55.1 | 0 | 0 | 0 | 108.4 | K291 D292 N293 Q294 Y433 | D289-K291 VanDerWaalsContact C-N 3.29Å; D289-K291 PolarHBondContact O-N 2.83Å; D289-K291 WeakPolarHBondContact OD1-CB 3.37Å; D289-K291 PolarHBondContact OD1-N 2.88Å; D289-D292 PolarHBondContact OD1-N 3.25Å; D289-N293 WeakPolarHBondContact O-CA 3.28Å; D289-N293 PolarHBondContact O-N 3.2Å; D289-Q294 PolarHBondContact N-O 2.87Å; D289-Q294 PolarHBondContact O-N 2.92Å; D289-Y433 HydrophobicContact CB-CD1 4.04Å; D289-Y433 HydrophobicContact CB-CE1 3.64Å; D289-Y433 WeakPolarHBondContact OD2-CE1 3.42Å; D289-Y433 VanDerWaalsContact OD2-CZ 3.27Å; D289-Y433 PolarHBondContact OD2-OH 2.8Å |
| 290 | L | 80.2 | Confident | 76 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -14.9 | -176 | -63 | -159.2 | 0 | 0 | 0 | 113.5 | L288 R406 N422 L425 L432 E434 | L288-L290 HydrophobicContact CB-CD2 4.37Å; L288-L290 HydrophobicContact CD2-CD2 3.57Å; L288-L290 HydrophobicContact CG-CD2 3.82Å; L288-L290 PolarHBondContact O-N 3.33Å; L290-R406 VanDerWaalsContact CD2-NH2 3.3Å; L290-N422 PolarHBondContact O-ND2 2.98Å; L290-N422 VanDerWaalsContact O-ND2 3.15Å; L290-L425 HydrophobicContact CB-CD1 4.08Å; L290-L425 WeakPolarHBondContact O-CD1 3.28Å; L290-L432 HydrophobicContact CB-CB 4.39Å; L290-L432 HydrophobicContact CB-CD2 4.17Å; L290-L432 HydrophobicContact CB-CG 4.18Å; L290-L432 WeakPolarHBondContact CB-O 3.47Å; L290-L432 HydrophobicContact CD1-CD2 3.81Å; L290-L432 HydrophobicContact CD1-CG 3.96Å; L290-L432 HydrophobicContact CG-CD2 4.44Å; L290-L432 HydrophobicContact CG-CG 4.26Å; L290-L432 PolarHBondContact N-O 2.94Å; L290-E434 HydrophobicContact CD1-CB 4.22Å; L290-E434 HydrophobicContact CD2-CB 3.72Å; L290-E434 HydrophobicContact CG-CB 4.08Å |
| 291 | K | 72.8 | Confident | 74.6 | Confident | 43 Ų | 43 | 47.4 Ų | 47.4 | 19% | 0.187 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -58.7 | 175.8 | 176.6 | 170.7 | 174.3 | 159.5 | 0 | 109.9 | D289 N293 Y426 T428 | D289-K291 VanDerWaalsContact C-N 3.29Å; D289-K291 PolarHBondContact O-N 2.83Å; D289-K291 WeakPolarHBondContact OD1-CB 3.37Å; D289-K291 PolarHBondContact OD1-N 2.88Å; K291-N293 VanDerWaalsContact C-N 3.33Å; K291-Y426 HydrophobicContact CG-CD1 4.2Å; K291-Y426 HydrophobicContact CG-CE1 4.39Å; K291-Y426 VanDerWaalsContact O-CZ 3.24Å; K291-Y426 PolarHBondContact O-OH 3.4Å; K291-T428 PolarHBondContact NZ-O 3.09Å |
| 292 | D | 72.5 | Confident | 73.6 | Confident | 75 Ų | 75 | 48.4 Ų | 48.4 | 40% | 0.401 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -8 | -177.3 | -67.6 | -46.8 | 0 | 0 | 0 | 113.5 | D289 Q294 Y426 | D289-D292 PolarHBondContact OD1-N 3.25Å; D292-Q294 HydrophobicContact CB-CG 4.27Å; D292-Q294 PolarHBondContact O-N 3.06Å; D292-Y426 WeakPolarHBondContact OD1-CE1 3.26Å |
| 293 | N | 77 | Confident | 73.1 | Confident | 61 Ų | 61 | 48.4 Ų | 48.4 | 33% | 0.326 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 32 | -176.8 | -153.5 | 103.3 | 0 | 0 | 0 | 112.8 | D289 K291 T418 N422 | D289-N293 WeakPolarHBondContact O-CA 3.28Å; D289-N293 PolarHBondContact O-N 3.2Å; K291-N293 VanDerWaalsContact C-N 3.33Å; N293-T418 WeakPolarHBondContact OD1-CB 3.26Å; N293-T418 PolarHBondContact OD1-OG1 3.36Å; N293-N422 PolarHBondContact OD1-ND2 2.93Å |
| 294 | Q | 77.7 | Confident | 73.1 | Confident | 132 Ų | 132 | 48.3 Ų | 48.3 | 62% | 0.617 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 137.4 | 178.9 | -66.6 | -174.8 | 4.6 | 0 | 0 | 110.4 | D289 D292 | D289-Q294 PolarHBondContact N-O 2.87Å; D289-Q294 PolarHBondContact O-N 2.92Å; D292-Q294 HydrophobicContact CB-CG 4.27Å; D292-Q294 PolarHBondContact O-N 3.06Å |
| 295 | V | 78.1 | Confident | 73.3 | Confident | 54 Ų | 54 | 48.4 Ų | 48.4 | 33% | 0.327 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 124.7 | 168.4 | -161.5 | 0 | 0 | 0 | 0 | 107.3 | H286 I287 L288 C297 | H286-V295 HydrophobicContact CB-CG1 3.86Å; I287-V295 WeakPolarHBondContact O-CA 3.2Å; I287-V295 WeakPolarHBondContact O-CG1 3.24Å; L288-V295 HydrophobicContact CD1-CG2 4.03Å; V295-C297 WeakPolarHBondContact CG1-O 3.34Å; V295-C297 PolarHBondContact O-N 3.46Å |
| 296 | L | 77.7 | Confident | 73.6 | Confident | 62 Ų | 62 | 47.7 Ų | 47.7 | 33% | 0.325 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -61.4 | -30.7 | -174.6 | -73.8 | 178 | 0 | 0 | 0 | 113.1 | I287 P326 Y433 | I287-L296 HydrophobicContact CB-CD1 4.45Å; I287-L296 HydrophobicContact CG2-CD1 3.79Å; I287-L296 HydrophobicContact CG2-CG 4.43Å; I287-L296 PolarHBondContact O-N 2.86Å; L296-P326 HydrophobicContact CD1-CB 3.9Å; L296-Y433 HydrophobicContact CD1-CD1 4.12Å; L296-Y433 HydrophobicContact CD1-CE1 3.86Å; L296-Y433 HydrophobicContact CD2-CE1 4.5Å; L296-Y433 HydrophobicContact CG-CE1 4.37Å |
| 297 | C | 72.4 | Confident | 74.1 | Confident | 22 Ų | 22 | 45.3 Ų | 45.3 | 15% | 0.149 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -147.8 | 138.6 | 171.2 | -71.5 | 0 | 0 | 0 | 0 | 108.1 | V295 Y302 C324 | V295-C297 WeakPolarHBondContact CG1-O 3.34Å; V295-C297 PolarHBondContact O-N 3.46Å; C297-Y302 PolarHBondContact O-OH 3.08Å; C297-C324 HydrophobicContact CB-CB 3.98Å; C297-C324 WeakPolarHBondContact CB-SG 3.18Å; C297-C324 WeakPolarHBondContact SG-CA 3.45Å; C297-C324 WeakPolarHBondContact SG-CB 3.31Å; C297-C324 CovalentContact SG-SG 2.04Å; C297-C324 PolarHBondContact SG-SG 2.93Å |
| 298 | E | 59.2 | Low | 73.9 | Confident | 172 Ų | 172 | 45.9 Ų | 45.9 | 80% | 0.804 | 23% | 0.234 | S | C | * | . | trans | -81.1 | 142.3 | -175.5 | -69.2 | -165.7 | 131.1 | 0 | 0 | 113.6 | Y302 | E298-Y302 VanDerWaalsContact O-CE1 3.26Å; E298-Y302 WeakPolarHBondContact O-CE1 3.27Å | ||
| 299 | P | 54.6 | Low | 73.6 | Confident | 68 Ų | 68 | 45 Ų | 45 | 44% | 0.442 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -80.7 | 126.8 | -150.4 | 30 | -37.4 | 0 | 0 | 0 | 117.2 | H286 Y302 | H286-P299 HydrophobicContact CB-CB 4.43Å; P299-Y302 WeakPolarHBondContact CA-OH 3.48Å |
| 300 | H | 53 | Low | 73.1 | Confident | 163 Ų | 163 | 44.5 Ų | 44.5 | 76% | 0.755 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -141.4 | 21.1 | 154.7 | -101.3 | 41.1 | 0 | 0 | 0 | 113.3 | R460 | H300-R460 PolarHBondContact O-NH2 3.15Š|
| 301 | V | 52.9 | Low | 72.7 | Confident | 26 Ų | 26 | 46.6 Ų | 46.6 | 16% | 0.158 | 24% | 0.238 | C | C | . | . | trans | 67.6 | 102 | -178.9 | -171.2 | 0 | 0 | 0 | 0 | 113.7 | Q283 | Q283-V301 HydrophobicContact CB-CG1 4.28Š| ||
| 302 | Y | 61.4 | Low | 72.7 | Confident | 20 Ų | 20 | 45 Ų | 45 | 8% | 0.078 | 23% | 0.234 | C | C | . | . | trans | -150.3 | 2.3 | -161.8 | 40.5 | -124 | 0 | 0 | 0 | 116.5 | S285 C297 E298 P299 L320 A459 | S285-Y302 PolarHBondContact O-OH 2.78Å; C297-Y302 PolarHBondContact O-OH 3.08Å; E298-Y302 VanDerWaalsContact O-CE1 3.26Å; E298-Y302 WeakPolarHBondContact O-CE1 3.27Å; P299-Y302 WeakPolarHBondContact CA-OH 3.48Å; Y302-L320 VanDerWaalsContact CB-CD1 3.42Å; Y302-L320 PolarHBondContact O-N 3.01Å; Y302-A459 WeakPolarHBondContact O-CB 3.28Å | ||
| 303 | S | 73.5 | Confident | 72.9 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.007 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 153.6 | 172.7 | 47.1 | 0 | 0 | 0 | 0 | 110.4 | I284 T318 | I284-S303 WeakPolarHBondContact CB-O 3.28Å; I284-S303 WeakPolarHBondContact CB-OG 3.33Å; I284-S303 WeakPolarHBondContact CG2-OG 3.38Å; I284-S303 PolarHBondContact N-O 2.85Å; S303-T318 CarbonylContact C-O 3.49Å; S303-T318 WeakPolarHBondContact CA-O 3.24Å; S303-T318 WeakPolarHBondContact CB-O 3.4Å |
| 304 | T | 80 | Confident | 73.2 | Confident | 9 Ų | 9 | 38.8 Ų | 38.8 | 6% | 0.055 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 137.6 | -171.2 | 57.9 | 0 | 0 | 0 | 0 | 109.8 | F282 T318 F463 | F282-T304 CarbonylContact O-C 3.56Å; F282-T304 VanDerWaalsContact O-CA 3.26Å; F282-T304 WeakPolarHBondContact O-CA 3.15Å; T304-T318 PolarHBondContact N-O 2.77Å; T304-T318 PolarHBondContact O-N 3.5Å; T304-F463 HydrophobicContact CG2-CD2 3.97Å; T304-F463 HydrophobicContact CG2-CE2 3.48Å; T304-F463 VanDerWaalsContact CG2-CE2 3.48Å; T304-F463 HydrophobicContact CG2-CZ 4.29Å; T304-F463 WeakPolarHBondContact OG1-CE2 3.26Å |
| 305 | L | 86.7 | Confident | 73.7 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 131.7 | 176.1 | 176.5 | 158 | 0 | 0 | 0 | 108.1 | I278 G281 F282 I284 I315 W317 | I278-L305 HydrophobicContact CG2-CD2 4.32Å; G281-L305 CarbonylContact C-O 3.57Å; G281-L305 WeakPolarHBondContact CA-O 3.19Å; F282-L305 HydrophobicContact CB-CB 4.35Å; F282-L305 HydrophobicContact CB-CD2 4.49Å; F282-L305 HydrophobicContact CD2-CD2 3.55Å; F282-L305 HydrophobicContact CE2-CD2 4.16Å; F282-L305 HydrophobicContact CG-CD2 4.32Å; F282-L305 PolarHBondContact N-O 3.15Å; F282-L305 PolarHBondContact O-N 3.35Å; I284-L305 HydrophobicContact CD1-CB 4.37Å; L305-I315 HydrophobicContact CD1-CG2 3.95Å; L305-I315 HydrophobicContact CD2-CG2 4.04Å; L305-I315 HydrophobicContact CG-CG2 3.69Å; L305-W317 HydrophobicContact CB-CE3 4.45Å; L305-W317 HydrophobicContact CD1-CD2 4.18Å; L305-W317 HydrophobicContact CD1-CE3 4.24Å; L305-W317 HydrophobicContact CD1-CH2 3.55Å; L305-W317 HydrophobicContact CD1-CZ2 3.47Å; L305-W317 VanDerWaalsContact CD1-CZ2 3.47Å; L305-W317 HydrophobicContact CD1-CZ3 3.95Å |
| 306 | E | 84.8 | Confident | 74.1 | Confident | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.019 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 135.6 | 169.8 | -69.8 | -172.8 | 117.5 | 0 | 0 | 108.4 | I315 L316 F463 Y566 R568 | E306-I315 CarbonylContact O-C 3.6Å; E306-I315 VanDerWaalsContact O-CA 3.31Å; E306-I315 WeakPolarHBondContact O-CA 3.18Å; E306-I315 WeakPolarHBondContact O-CG2 3.44Å; E306-L316 HydrophobicContact CB-CB 4.42Å; E306-L316 PolarHBondContact N-O 3.17Å; E306-L316 PolarHBondContact O-N 2.84Å; E306-F463 HydrophobicContact CG-CE1 4.37Å; E306-F463 HydrophobicContact CG-CZ 4.12Å; E306-Y566 WeakPolarHBondContact OE1-CD1 3.22Å; E306-Y566 PolarHBondContact OE1-N 3.02Å; E306-Y566 WeakPolarHBondContact OE2-CD1 3.39Å; E306-Y566 WeakPolarHBondContact OE2-CE1 3.02Å; E306-R568 VanDerWaalsContact CD-NH1 3.29Å; E306-R568 VanDerWaalsContact CD-NH2 3.34Å; E306-R568 IonicContact OE1-CZ 3.82Å; E306-R568 IonicContact OE1-NH1 3.87Å; E306-R568 PolarHBondContact OE1-NH1 3.1Å; E306-R568 IonicContact OE1-NH2 2.66Å; E306-R568 IonicContact OE2-CZ 2.8Å; E306-R568 IonicContact OE2-NH1 3.28Å; E306-R568 PolarHBondContact OE2-NH1 2.86Å; E306-R568 IonicContact OE2-NH2 3.68Å; E306-R568 PolarHBondContact OE2-NH2 3.02Å |
| 307 | S | 87.7 | Confident | 74.6 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 126.8 | -177.4 | -167.7 | 0 | 0 | 0 | 0 | 109.9 | C276 I278 S279 G280 C309 G314 | C276-S307 WeakPolarHBondContact CB-OG 3.29Å; I278-S307 WeakPolarHBondContact O-CB 3.39Å; I278-S307 PolarHBondContact O-OG 3.13Å; S279-S307 CarbonylContact C-O 3.36Å; S279-S307 WeakPolarHBondContact CA-O 3.37Å; G280-S307 PolarHBondContact N-O 2.81Å; G280-S307 PolarHBondContact O-N 3.37Å; S307-C309 PolarHBondContact O-N 2.84Å; S307-G314 WeakPolarHBondContact CA-O 3.37Å |
| 308 | E | 82.1 | Confident | 75 | Confident | 16 Ų | 16 | 27 Ų | 27 | 8% | 0.075 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 50.9 | 29.1 | -179.7 | -57.2 | -63.7 | 165.4 | 0 | 0 | 114.7 | C276 M310 L311 G312 G314 | C276-E308 HydrophobicContact CB-CG 3.82Å; C276-E308 PolarHBondContact N-OE1 2.95Å; C276-E308 PolarHBondContact SG-OE1 3.34Å; E308-M310 CarbonylContact C-O 3.59Å; E308-M310 CarbonylContact O-C 3.56Å; E308-M310 PolarHBondContact O-N 3.29Å; E308-L311 WeakPolarHBondContact OE2-CA 3.32Å; E308-G312 PolarHBondContact OE2-N 3.01Å; E308-G314 PolarHBondContact N-O 2.76Å |
| 309 | C | 77.1 | Confident | 75.9 | Confident | 4 Ų | 4 | 19 Ų | 19 | 3% | 0.027 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -62 | -28.3 | 176.1 | -70.6 | 0 | 0 | 0 | 0 | 112.8 | S307 C565 | S307-C309 PolarHBondContact O-N 2.84Å; C309-C565 WeakPolarHBondContact CA-SG 3.34Å; C309-C565 HydrophobicContact CB-CB 3.6Å; C309-C565 WeakPolarHBondContact CB-SG 3.42Å; C309-C565 WeakPolarHBondContact SG-CB 3.2Å; C309-C565 CovalentContact SG-SG 2.03Å; C309-C565 PolarHBondContact SG-SG 2.95Å |
| 310 | M | 74.1 | Confident | 76.7 | Confident | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.01 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -120.5 | 143.2 | 144.4 | -71.7 | -175.4 | -44.1 | 0 | 0 | 108.4 | E308 G312 E313 M538 R568 L570 Y616 | E308-M310 CarbonylContact C-O 3.59Å; E308-M310 CarbonylContact O-C 3.56Å; E308-M310 PolarHBondContact O-N 3.29Å; M310-G312 PolarHBondContact O-N 2.96Å; M310-E313 WeakPolarHBondContact O-CB 3.39Å; M310-E313 PolarHBondContact O-N 2.91Å; M310-M538 HydrophobicContact CG-SD 4.08Å; M310-M538 HydrophobicContact SD-SD 3.85Å; M310-R568 HydrophobicContact CE-CB 3.99Å; M310-R568 HydrophobicContact CE-CG 3.87Å; M310-R568 HydrophobicContact CG-CB 4.22Å; M310-R568 HydrophobicContact CG-CG 3.67Å; M310-R568 HydrophobicContact SD-CB 3.65Å; M310-R568 HydrophobicContact SD-CG 3.73Å; M310-L570 HydrophobicContact CE-CD2 4.22Å; M310-L570 HydrophobicContact SD-CD1 4.42Å; M310-L570 HydrophobicContact SD-CD2 4.38Å; M310-Y616 HydrophobicContact CE-CD1 4.03Å; M310-Y616 HydrophobicContact CE-CE1 3.64Å |
| 311 | L | 72.4 | Confident | 77.8 | Confident | 43 Ų | 43 | 15.5 Ų | 15.5 | 23% | 0.225 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | 127.1 | -179.2 | -74.5 | 161.6 | 0 | 0 | 0 | 111.9 | L275 E308 Y536 R618 | L275-L311 HydrophobicContact CD1-CD2 3.68Å; L275-L311 HydrophobicContact CD2-CB 4.37Å; L275-L311 HydrophobicContact CD2-CD2 3.69Å; L275-L311 HydrophobicContact CG-CD2 4.32Å; E308-L311 WeakPolarHBondContact OE2-CA 3.32Å; L311-Y536 HydrophobicContact CD1-CD1 4.14Å; L311-Y536 HydrophobicContact CD1-CD2 3.67Å; L311-Y536 HydrophobicContact CD1-CE2 4.45Å; L311-Y536 HydrophobicContact CD1-CG 3.46Å; L311-Y536 VanDerWaalsContact CD1-CG 3.46Å; L311-R618 PolarHBondContact O-NE 3.29Å; L311-R618 PolarHBondContact O-NH1 2.96Å |
| 312 | G | 72.3 | Confident | 79 | Confident | 11 Ų | 11 | 15.5 Ų | 15.5 | 11% | 0.113 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 2.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | E308 M310 G314 | E308-G312 PolarHBondContact OE2-N 3.01Å; M310-G312 PolarHBondContact O-N 2.96Å; G312-G314 VanDerWaalsContact C-N 3.3Å |
| 313 | E | 76.1 | Confident | 80 | Confident | 3 Ų | 3 | 19.4 Ų | 19.4 | 1% | 0.014 | 10% | 0.101 | C | C | . | . | trans | -71.8 | -26.2 | 172.4 | -173.5 | 173.6 | 162.8 | 0 | 0 | 112 | M310 Q334 R568 Y616 | M310-E313 WeakPolarHBondContact O-CB 3.39Å; M310-E313 PolarHBondContact O-N 2.91Å; E313-Q334 PolarHBondContact O-NE2 3.05Å; E313-R568 IonicContact OE1-CZ 2.8Å; E313-R568 IonicContact OE1-NE 2.61Å; E313-R568 PolarHBondContact OE1-NE 2.99Å; E313-R568 IonicContact OE1-NH2 2.78Å; E313-R568 PolarHBondContact OE1-NH2 2.99Å; E313-R568 IonicContact OE2-CZ 3.14Å; E313-R568 IonicContact OE2-NE 2.76Å; E313-R568 PolarHBondContact OE2-NE 2.85Å; E313-R568 IonicContact OE2-NH2 3.01Å; E313-R568 PolarHBondContact OE2-NH2 2.88Å; E313-Y616 HydrophobicContact CB-CE1 3.99Å; E313-Y616 HydrophobicContact CG-CE1 3.69Å; E313-Y616 PolarHBondContact OE1-OH 3.17Å | ||
| 314 | G | 83.3 | Confident | 80.3 | Confident | 2 Ų | 2 | 19.7 Ų | 19.7 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | trans | 75.1 | -137.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S307 E308 G312 F335 | S307-G314 WeakPolarHBondContact CA-O 3.37Å; E308-G314 PolarHBondContact N-O 2.76Å; G312-G314 VanDerWaalsContact C-N 3.3Å; G314-F335 CarbonylContact C-O 3.54Å; G314-F335 WeakPolarHBondContact CA-O 3.24Å | ||
| 315 | I | 89.2 | Confident | 80.6 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 119.3 | -176.4 | -42.7 | -166.6 | 0 | 0 | 0 | 111.1 | C276 L305 E306 Q334 F335 I351 L365 | C276-I315 HydrophobicContact CB-CD1 4.39Å; C276-I315 HydrophobicContact CB-CG1 4.24Å; C276-I315 WeakPolarHBondContact SG-CG1 3.38Å; L305-I315 HydrophobicContact CD1-CG2 3.95Å; L305-I315 HydrophobicContact CD2-CG2 4.04Å; L305-I315 HydrophobicContact CG-CG2 3.69Å; E306-I315 CarbonylContact O-C 3.6Å; E306-I315 VanDerWaalsContact O-CA 3.31Å; E306-I315 WeakPolarHBondContact O-CA 3.18Å; E306-I315 WeakPolarHBondContact O-CG2 3.44Å; I315-Q334 CarbonylContact O-C 3.58Å; I315-Q334 WeakPolarHBondContact O-CA 3.46Å; I315-F335 PolarHBondContact N-O 3.17Å; I315-F335 PolarHBondContact O-N 3.42Å; I315-I351 HydrophobicContact CD1-CG2 3.98Å; I315-L365 HydrophobicContact CD1-CD1 3.63Å |
| 316 | L | 86.7 | Confident | 80.4 | Confident | 13 Ų | 13 | 20.3 Ų | 20.3 | 7% | 0.068 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 120.5 | 171.8 | 176.4 | 62 | 0 | 0 | 0 | 110.8 | E306 K332 Q334 Y566 | E306-L316 HydrophobicContact CB-CB 4.42Å; E306-L316 PolarHBondContact N-O 3.17Å; E306-L316 PolarHBondContact O-N 2.84Å; L316-K332 HydrophobicContact CD1-CB 4.34Å; L316-K332 HydrophobicContact CD1-CD 4.44Å; L316-Q334 HydrophobicContact CD1-CB 4.11Å; L316-Y566 HydrophobicContact CD2-CE1 4.47Å |
| 317 | W | 86.8 | Confident | 80.5 | Confident | 1 Ų | 1 | 20.8 Ų | 20.8 | 0% | 0.004 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 131.9 | 170.2 | -58.7 | 75.4 | 0 | 0 | 0 | 109.7 | I284 L305 F319 F327 K332 T333 F335 L365 I389 I435 | I284-W317 HydrophobicContact CD1-CE3 3.74Å; I284-W317 HydrophobicContact CD1-CZ3 3.66Å; L305-W317 HydrophobicContact CB-CE3 4.45Å; L305-W317 HydrophobicContact CD1-CD2 4.18Å; L305-W317 HydrophobicContact CD1-CE3 4.24Å; L305-W317 HydrophobicContact CD1-CH2 3.55Å; L305-W317 HydrophobicContact CD1-CZ2 3.47Å; L305-W317 VanDerWaalsContact CD1-CZ2 3.47Å; L305-W317 HydrophobicContact CD1-CZ3 3.95Å; W317-F319 HydrophobicContact CB-CE2 3.54Å; W317-F319 HydrophobicContact CB-CZ 3.81Å; W317-F319 HydrophobicContact CE3-CZ 4.18Å; W317-F319 HydrophobicContact CG-CZ 4.48Å; W317-F327 HydrophobicContact CB-CE2 4.16Å; W317-F327 AromaticContact CD1-CE2 3.87Å; W317-F327 AromaticContact CD2-CE2 3.71Å; W317-F327 HydrophobicContact CD2-CE2 3.71Å; W317-F327 AromaticContact CD2-CZ 3.92Å; W317-F327 HydrophobicContact CD2-CZ 3.92Å; W317-F327 AromaticContact CE2-CE2 3.96Å; W317-F327 AromaticContact CE2-CZ 3.71Å; W317-F327 HydrophobicContact CE3-CE2 4.24Å; W317-F327 HydrophobicContact CE3-CZ 4.41Å; W317-F327 AromaticContact CG-CE2 3.67Å; W317-F327 HydrophobicContact CG-CE2 3.67Å; W317-F327 HydrophobicContact CG-CZ 4.25Å; W317-F327 HydrophobicContact CZ2-CZ 4.04Å; W317-F327 AromaticContact NE1-CZ 3.91Å; W317-K332 CarbonylContact O-C 3.59Å; W317-K332 VanDerWaalsContact O-CA 3.26Å; W317-K332 WeakPolarHBondContact O-CA 3.16Å; W317-T333 PolarHBondContact N-O 2.76Å; W317-T333 PolarHBondContact O-N 2.92Å; W317-F335 AromaticContact CD1-CD2 3.88Å; W317-F335 AromaticContact NE1-CD2 3.94Å; W317-L365 HydrophobicContact CZ2-CD1 4.41Å; W317-L365 HydrophobicContact CZ2-CD2 4.04Å; W317-I389 HydrophobicContact CH2-CD1 3.67Å; W317-I389 HydrophobicContact CZ2-CD1 3.83Å; W317-I389 HydrophobicContact CZ3-CD1 4.39Å; W317-I435 HydrophobicContact CH2-CD1 3.78Å; W317-I435 HydrophobicContact CZ3-CD1 3.64Å; W317-I435 HydrophobicContact CZ3-CG2 4.33Å |
| 318 | T | 81.1 | Confident | 80.2 | Confident | 7 Ų | 7 | 23 Ų | 23 | 4% | 0.043 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 138.8 | 173.9 | -61.6 | 0 | 0 | 0 | 0 | 110.3 | S303 T304 Y331 K332 | S303-T318 CarbonylContact C-O 3.49Å; S303-T318 WeakPolarHBondContact CA-O 3.24Å; S303-T318 WeakPolarHBondContact CB-O 3.4Å; T304-T318 PolarHBondContact N-O 2.77Å; T304-T318 PolarHBondContact O-N 3.5Å; T318-Y331 WeakPolarHBondContact CA-O 3.18Å; T318-K332 HydrophobicContact CG2-CG 4.13Å; T318-K332 WeakPolarHBondContact OG1-CE 3.47Å |
| 319 | F | 78.9 | Confident | 80 | Confident | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 142.8 | -173.8 | -54.2 | -97 | 0 | 0 | 0 | 110.8 | I287 W317 Q321 C324 N325 F327 Y331 | I287-F319 HydrophobicContact CD1-CE1 3.77Å; W317-F319 HydrophobicContact CB-CE2 3.54Å; W317-F319 HydrophobicContact CB-CZ 3.81Å; W317-F319 HydrophobicContact CE3-CZ 4.18Å; W317-F319 HydrophobicContact CG-CZ 4.48Å; F319-Q321 VanDerWaalsContact C-N 3.28Å; F319-Q321 PolarHBondContact O-N 3.32Å; F319-C324 HydrophobicContact CD1-CB 4.46Å; F319-N325 HydrophobicContact CD1-CB 4.15Å; F319-N325 HydrophobicContact CD2-CB 3.66Å; F319-N325 HydrophobicContact CE1-CB 4.21Å; F319-N325 HydrophobicContact CE2-CB 3.71Å; F319-N325 WeakPolarHBondContact CE2-ND2 3.39Å; F319-N325 HydrophobicContact CG-CB 3.9Å; F319-N325 HydrophobicContact CZ-CB 4Å; F319-F327 HydrophobicContact CE2-CE2 4.5Å; F319-F327 HydrophobicContact CZ-CD2 4.32Å; F319-F327 HydrophobicContact CZ-CE2 4.05Å; F319-Y331 PolarHBondContact N-O 3.33Å |
| 320 | L | 71 | Confident | 80.1 | Confident | 67 Ų | 67 | 30.9 Ų | 30.9 | 35% | 0.351 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -60.7 | -32 | 174.3 | -88.7 | -169 | 0 | 0 | 0 | 114.5 | Y302 Y331 A459 | Y302-L320 VanDerWaalsContact CB-CD1 3.42Å; Y302-L320 PolarHBondContact O-N 3.01Å; L320-Y331 WeakPolarHBondContact O-CE1 3.22Å; L320-A459 HydrophobicContact CD2-CB 3.94Å; L320-A459 HydrophobicContact CG-CB 3.98Å |
| 321 | Q | 75.6 | Confident | 80.4 | Confident | 91 Ų | 91 | 37.5 Ų | 37.5 | 43% | 0.425 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -137.7 | 142.2 | -175.2 | -53.9 | -178.5 | -18.3 | 0 | 0 | 109.9 | F319 Q323 C324 | F319-Q321 VanDerWaalsContact C-N 3.28Å; F319-Q321 PolarHBondContact O-N 3.32Å; Q321-Q323 VanDerWaalsContact C-N 3.28Å; Q321-Q323 HydrophobicContact CB-CG 4.35Å; Q321-Q323 PolarHBondContact O-N 3.03Å; Q321-C324 PolarHBondContact O-N 2.93Å; Q321-C324 VanDerWaalsContact O-N 3.13Å |
| 322 | P | 79.3 | Confident | 80.8 | Confident | 26 Ų | 26 | 39.2 Ų | 39.2 | 17% | 0.169 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -59.5 | -37.3 | -177.6 | -24.7 | 36.1 | 0 | 0 | 0 | 113 | C324 N325 Q329 Y331 | P322-C324 VanDerWaalsContact C-N 3.27Å; P322-C324 PolarHBondContact O-N 3.44Å; P322-N325 WeakPolarHBondContact O-CB 3.37Å; P322-N325 PolarHBondContact O-N 2.77Å; P322-Q329 HydrophobicContact CB-CB 4.3Å; P322-Q329 WeakPolarHBondContact O-CA 3.43Å; P322-Y331 HydrophobicContact CG-CD1 4.25Å; P322-Y331 HydrophobicContact CG-CD2 3.96Å; P322-Y331 HydrophobicContact CG-CE1 3.95Å; P322-Y331 HydrophobicContact CG-CE2 3.62Å; P322-Y331 HydrophobicContact CG-CG 4.26Å |
| 323 | Q | 81.2 | Confident | 81.4 | Confident | 102 Ų | 102 | 39 Ų | 39 | 48% | 0.477 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -67.2 | -19.7 | 179 | 61.3 | -87.3 | 17.3 | 0 | 0 | 114.9 | Q321 N325 | Q321-Q323 VanDerWaalsContact C-N 3.28Å; Q321-Q323 HydrophobicContact CB-CG 4.35Å; Q321-Q323 PolarHBondContact O-N 3.03Å; Q323-N325 PolarHBondContact O-N 3.38Å |
| 324 | C | 80.6 | Confident | 81.9 | Confident | 7 Ų | 7 | 40.5 Ų | 40.5 | 5% | 0.047 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -79.5 | -5.9 | 177.1 | -53.7 | 0 | 0 | 0 | 0 | 113.2 | C297 F319 Q321 P322 | C297-C324 HydrophobicContact CB-CB 3.98Å; C297-C324 WeakPolarHBondContact CB-SG 3.18Å; C297-C324 WeakPolarHBondContact SG-CA 3.45Å; C297-C324 WeakPolarHBondContact SG-CB 3.31Å; C297-C324 CovalentContact SG-SG 2.04Å; C297-C324 PolarHBondContact SG-SG 2.93Å; F319-C324 HydrophobicContact CD1-CB 4.46Å; Q321-C324 PolarHBondContact O-N 2.93Å; Q321-C324 VanDerWaalsContact O-N 3.13Å; P322-C324 VanDerWaalsContact C-N 3.27Å; P322-C324 PolarHBondContact O-N 3.44Å |
| 325 | N | 84.8 | Confident | 82.2 | Confident | 9 Ų | 9 | 40.5 Ų | 40.5 | 5% | 0.048 | 20% | 0.196 | C | C | . | . | trans | -88.4 | 117.4 | -177.4 | 177.3 | -18.4 | 0 | 0 | 0 | 110.1 | F319 P322 Q323 F327 V328 N330 T333 | F319-N325 HydrophobicContact CD1-CB 4.15Å; F319-N325 HydrophobicContact CD2-CB 3.66Å; F319-N325 HydrophobicContact CE1-CB 4.21Å; F319-N325 HydrophobicContact CE2-CB 3.71Å; F319-N325 WeakPolarHBondContact CE2-ND2 3.39Å; F319-N325 HydrophobicContact CG-CB 3.9Å; F319-N325 HydrophobicContact CZ-CB 4Å; P322-N325 WeakPolarHBondContact O-CB 3.37Å; P322-N325 PolarHBondContact O-N 2.77Å; Q323-N325 PolarHBondContact O-N 3.38Å; N325-F327 PolarHBondContact O-N 3.1Å; N325-F327 WeakPolarHBondContact OD1-CB 3.33Å; N325-F327 WeakPolarHBondContact OD1-CD2 3.37Å; N325-F327 PolarHBondContact OD1-N 3.36Å; N325-V328 WeakPolarHBondContact CB-O 3.41Å; N325-V328 PolarHBondContact ND2-O 2.61Å; N325-V328 VanDerWaalsContact ND2-O 3.12Å; N325-V328 PolarHBondContact OD1-N 3.06Å; N325-V328 PolarHBondContact OD1-O 3.39Å; N325-N330 WeakPolarHBondContact CB-O 3.38Å; N325-N330 PolarHBondContact ND2-O 2.71Å; N325-T333 PolarHBondContact ND2-OG1 3.1Å | ||
| 326 | P | 83.7 | Confident | 82 | Confident | 15 Ų | 15 | 42.1 Ų | 42.1 | 10% | 0.097 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -72.6 | -13.3 | -176.2 | 30.6 | -35.9 | 0 | 0 | 0 | 113.9 | I287 L296 Y433 | I287-P326 HydrophobicContact CD1-CG 4.36Å; L296-P326 HydrophobicContact CD1-CB 3.9Å; P326-Y433 HydrophobicContact CB-CD1 4.26Å; P326-Y433 HydrophobicContact CB-CD2 3.83Å; P326-Y433 HydrophobicContact CB-CE1 4.27Å; P326-Y433 HydrophobicContact CB-CE2 3.83Å; P326-Y433 HydrophobicContact CB-CG 4.09Å |
| 327 | F | 86 | Confident | 81.9 | Confident | 14 Ų | 14 | 41.7 Ų | 41.7 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -90.5 | -51.7 | -176.8 | -43.2 | -65.3 | 0 | 0 | 0 | 111.8 | W317 F319 N325 T333 F335 Y363 I389 | W317-F327 HydrophobicContact CB-CE2 4.16Å; W317-F327 AromaticContact CD1-CE2 3.87Å; W317-F327 AromaticContact CD2-CE2 3.71Å; W317-F327 HydrophobicContact CD2-CE2 3.71Å; W317-F327 AromaticContact CD2-CZ 3.92Å; W317-F327 HydrophobicContact CD2-CZ 3.92Å; W317-F327 AromaticContact CE2-CE2 3.96Å; W317-F327 AromaticContact CE2-CZ 3.71Å; W317-F327 HydrophobicContact CE3-CE2 4.24Å; W317-F327 HydrophobicContact CE3-CZ 4.41Å; W317-F327 AromaticContact CG-CE2 3.67Å; W317-F327 HydrophobicContact CG-CE2 3.67Å; W317-F327 HydrophobicContact CG-CZ 4.25Å; W317-F327 HydrophobicContact CZ2-CZ 4.04Å; W317-F327 AromaticContact NE1-CZ 3.91Å; F319-F327 HydrophobicContact CE2-CE2 4.5Å; F319-F327 HydrophobicContact CZ-CD2 4.32Å; F319-F327 HydrophobicContact CZ-CE2 4.05Å; N325-F327 PolarHBondContact O-N 3.1Å; N325-F327 WeakPolarHBondContact OD1-CB 3.33Å; N325-F327 WeakPolarHBondContact OD1-CD2 3.37Å; N325-F327 PolarHBondContact OD1-N 3.36Å; F327-T333 HydrophobicContact CB-CG2 4.25Å; F327-T333 HydrophobicContact CD2-CG2 4.05Å; F327-T333 HydrophobicContact CG-CG2 4.37Å; F327-F335 HydrophobicContact CB-CZ 4.14Å; F327-F335 AromaticContact CD1-CE2 3.93Å; F327-F335 HydrophobicContact CD1-CE2 3.93Å; F327-F335 AromaticContact CD1-CZ 3.6Å; F327-F335 HydrophobicContact CD1-CZ 3.6Å; F327-F335 AromaticContact CD2-CE2 3.74Å; F327-F335 HydrophobicContact CD2-CE2 3.74Å; F327-F335 HydrophobicContact CD2-CZ 4.04Å; F327-F335 AromaticContact CE1-CE2 3.86Å; F327-F335 HydrophobicContact CE1-CE2 3.86Å; F327-F335 AromaticContact CE1-CZ 3.91Å; F327-F335 HydrophobicContact CE1-CZ 3.91Å; F327-F335 AromaticContact CE2-CE2 3.71Å; F327-F335 HydrophobicContact CE2-CE2 3.71Å; F327-F335 HydrophobicContact CE2-CZ 4.36Å; F327-F335 AromaticContact CG-CE2 3.86Å; F327-F335 HydrophobicContact CG-CE2 3.86Å; F327-F335 AromaticContact CG-CZ 3.66Å; F327-F335 HydrophobicContact CG-CZ 3.66Å; F327-F335 AromaticContact CZ-CE2 3.77Å; F327-F335 HydrophobicContact CZ-CE2 3.77Å; F327-F335 HydrophobicContact CZ-CZ 4.28Å; F327-Y363 HydrophobicContact CD1-CD1 4.12Å; F327-Y363 HydrophobicContact CD1-CD2 4.3Å; F327-Y363 AromaticContact CD1-CE1 3.69Å; F327-Y363 HydrophobicContact CD1-CE1 3.69Å; F327-Y363 AromaticContact CD1-CE2 3.94Å; F327-Y363 HydrophobicContact CD1-CE2 3.94Å; F327-Y363 HydrophobicContact CD1-CG 4.41Å; F327-Y363 AromaticContact CD1-CZ 3.64Å; F327-Y363 HydrophobicContact CE1-CD1 4.2Å; F327-Y363 HydrophobicContact CE1-CE1 4.22Å; F327-Y363 HydrophobicContact CE1-CG 4.39Å; F327-I389 HydrophobicContact CE1-CD1 3.61Å; F327-I389 HydrophobicContact CE1-CG2 4.14Å; F327-I389 HydrophobicContact CZ-CD1 3.49Å; F327-I389 VanDerWaalsContact CZ-CD1 3.49Å |
| 328 | V | 81.4 | Confident | 81.6 | Confident | 45 Ų | 45 | 42.4 Ų | 42.4 | 27% | 0.273 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -156.6 | 155.8 | -179.7 | -89 | 0 | 0 | 0 | 0 | 109.9 | N325 N330 T333 R353 | N325-V328 WeakPolarHBondContact CB-O 3.41Å; N325-V328 PolarHBondContact ND2-O 2.61Å; N325-V328 VanDerWaalsContact ND2-O 3.12Å; N325-V328 PolarHBondContact OD1-N 3.06Å; N325-V328 PolarHBondContact OD1-O 3.39Å; V328-N330 HydrophobicContact CG2-CB 4.23Å; V328-N330 PolarHBondContact O-N 2.69Å; V328-T333 WeakPolarHBondContact CG2-OG1 3.38Å; V328-R353 VanDerWaalsContact CG2-NH1 3.33Å |
| 329 | Q | 78.9 | Confident | 81.6 | Confident | 96 Ų | 96 | 42.2 Ų | 42.2 | 45% | 0.449 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -71.4 | 72.8 | 172.9 | -77.8 | 170 | -36.3 | 0 | 0 | 112.4 | Q52 P322 | Q52-Q329 VanDerWaalsContact NE2-OE1 3.14Å; P322-Q329 HydrophobicContact CB-CB 4.3Å; P322-Q329 WeakPolarHBondContact O-CA 3.43Å |
| 330 | N | 79.2 | Confident | 81.9 | Confident | 90 Ų | 90 | 44.2 Ų | 44.2 | 48% | 0.481 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -141.6 | 146.5 | 176.1 | -84.5 | -38.9 | 0 | 0 | 0 | 110.6 | N325 V328 K332 | N325-N330 WeakPolarHBondContact CB-O 3.38Å; N325-N330 PolarHBondContact ND2-O 2.71Å; V328-N330 HydrophobicContact CG2-CB 4.23Å; V328-N330 PolarHBondContact O-N 2.69Å; N330-K332 WeakPolarHBondContact CB-O 3.46Å; N330-K332 PolarHBondContact O-N 2.98Å; N330-K332 VanDerWaalsContact O-N 3.17Å |
| 331 | Y | 79 | Confident | 82.4 | Confident | 142 Ų | 142 | 41.9 Ų | 41.9 | 56% | 0.557 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -60.8 | -22.2 | 174.9 | -65.7 | -82.7 | 0 | 0 | 0 | 114.2 | T318 F319 L320 P322 | T318-Y331 WeakPolarHBondContact CA-O 3.18Å; F319-Y331 PolarHBondContact N-O 3.33Å; L320-Y331 WeakPolarHBondContact O-CE1 3.22Å; P322-Y331 HydrophobicContact CG-CD1 4.25Å; P322-Y331 HydrophobicContact CG-CD2 3.96Å; P322-Y331 HydrophobicContact CG-CE1 3.95Å; P322-Y331 HydrophobicContact CG-CE2 3.62Å; P322-Y331 HydrophobicContact CG-CG 4.26Å |
| 332 | K | 81.7 | Confident | 82.8 | Confident | 78 Ų | 78 | 43.8 Ų | 43.8 | 34% | 0.339 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 151.8 | -179.4 | -66.1 | -169.4 | 173.7 | -169.7 | 0 | 111.6 | L316 W317 T318 N330 | L316-K332 HydrophobicContact CD1-CB 4.34Å; L316-K332 HydrophobicContact CD1-CD 4.44Å; W317-K332 CarbonylContact O-C 3.59Å; W317-K332 VanDerWaalsContact O-CA 3.26Å; W317-K332 WeakPolarHBondContact O-CA 3.16Å; T318-K332 HydrophobicContact CG2-CG 4.13Å; T318-K332 WeakPolarHBondContact OG1-CE 3.47Å; N330-K332 WeakPolarHBondContact CB-O 3.46Å; N330-K332 PolarHBondContact O-N 2.98Å; N330-K332 VanDerWaalsContact O-N 3.17Å |
| 333 | T | 85.6 | Confident | 82.9 | Confident | 6 Ų | 6 | 44 Ų | 44 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 128 | 167.1 | -62.3 | 0 | 0 | 0 | 0 | 109.2 | W317 N325 F327 V328 F335 | W317-T333 PolarHBondContact N-O 2.76Å; W317-T333 PolarHBondContact O-N 2.92Å; N325-T333 PolarHBondContact ND2-OG1 3.1Å; F327-T333 HydrophobicContact CB-CG2 4.25Å; F327-T333 HydrophobicContact CD2-CG2 4.05Å; F327-T333 HydrophobicContact CG-CG2 4.37Å; V328-T333 WeakPolarHBondContact CG2-OG1 3.38Å; T333-F335 HydrophobicContact CG2-CD2 4.08Å; T333-F335 HydrophobicContact CG2-CE1 4.41Å; T333-F335 HydrophobicContact CG2-CE2 3.42Å; T333-F335 VanDerWaalsContact CG2-CE2 3.42Å; T333-F335 HydrophobicContact CG2-CZ 3.62Å |
| 334 | Q | 86.3 | Confident | 82.7 | Confident | 35 Ų | 35 | 44.2 Ų | 44.2 | 16% | 0.164 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 142.2 | 177.3 | -170.1 | 172.5 | -5.9 | 0 | 0 | 109.6 | E313 I315 L316 R353 | E313-Q334 PolarHBondContact O-NE2 3.05Å; I315-Q334 CarbonylContact O-C 3.58Å; I315-Q334 WeakPolarHBondContact O-CA 3.46Å; L316-Q334 HydrophobicContact CD1-CB 4.11Å; Q334-R353 WeakPolarHBondContact O-CB 3.14Å |
| 335 | F | 88.8 | Confident | 82.8 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.009 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 154 | 173.8 | -62 | -89.2 | 0 | 0 | 0 | 109.6 | G314 I315 W317 F327 T333 I351 Y352 R353 Y363 | G314-F335 CarbonylContact C-O 3.54Å; G314-F335 WeakPolarHBondContact CA-O 3.24Å; I315-F335 PolarHBondContact N-O 3.17Å; I315-F335 PolarHBondContact O-N 3.42Å; W317-F335 AromaticContact CD1-CD2 3.88Å; W317-F335 AromaticContact NE1-CD2 3.94Å; F327-F335 HydrophobicContact CB-CZ 4.14Å; F327-F335 AromaticContact CD1-CE2 3.93Å; F327-F335 HydrophobicContact CD1-CE2 3.93Å; F327-F335 AromaticContact CD1-CZ 3.6Å; F327-F335 HydrophobicContact CD1-CZ 3.6Å; F327-F335 AromaticContact CD2-CE2 3.74Å; F327-F335 HydrophobicContact CD2-CE2 3.74Å; F327-F335 HydrophobicContact CD2-CZ 4.04Å; F327-F335 AromaticContact CE1-CE2 3.86Å; F327-F335 HydrophobicContact CE1-CE2 3.86Å; F327-F335 AromaticContact CE1-CZ 3.91Å; F327-F335 HydrophobicContact CE1-CZ 3.91Å; F327-F335 AromaticContact CE2-CE2 3.71Å; F327-F335 HydrophobicContact CE2-CE2 3.71Å; F327-F335 HydrophobicContact CE2-CZ 4.36Å; F327-F335 AromaticContact CG-CE2 3.86Å; F327-F335 HydrophobicContact CG-CE2 3.86Å; F327-F335 AromaticContact CG-CZ 3.66Å; F327-F335 HydrophobicContact CG-CZ 3.66Å; F327-F335 AromaticContact CZ-CE2 3.77Å; F327-F335 HydrophobicContact CZ-CE2 3.77Å; F327-F335 HydrophobicContact CZ-CZ 4.28Å; T333-F335 HydrophobicContact CG2-CD2 4.08Å; T333-F335 HydrophobicContact CG2-CE1 4.41Å; T333-F335 HydrophobicContact CG2-CE2 3.42Å; T333-F335 VanDerWaalsContact CG2-CE2 3.42Å; T333-F335 HydrophobicContact CG2-CZ 3.62Å; F335-I351 HydrophobicContact CB-CB 3.94Å; F335-I351 HydrophobicContact CB-CD1 3.99Å; F335-I351 HydrophobicContact CB-CG1 4.19Å; F335-I351 HydrophobicContact CD1-CD1 4.19Å; F335-I351 HydrophobicContact CD1-CG1 4.2Å; F335-I351 HydrophobicContact CD2-CD1 3.75Å; F335-I351 HydrophobicContact CE2-CD1 4.19Å; F335-I351 HydrophobicContact CG-CB 4.41Å; F335-I351 HydrophobicContact CG-CD1 3.73Å; F335-I351 HydrophobicContact CG-CG1 4.11Å; F335-Y352 CarbonylContact C-O 3.53Å; F335-Y352 VanDerWaalsContact CA-O 3.26Å; F335-Y352 WeakPolarHBondContact CA-O 3.17Å; F335-Y352 WeakPolarHBondContact CB-O 3.35Å; F335-R353 HydrophobicContact CD1-CB 3.76Å; F335-R353 HydrophobicContact CD1-CG 3.86Å; F335-R353 HydrophobicContact CE1-CB 4.17Å; F335-R353 HydrophobicContact CE1-CG 3.73Å; F335-Y363 HydrophobicContact CD1-CD2 4.43Å; F335-Y363 AromaticContact CE1-CD2 3.49Å; F335-Y363 HydrophobicContact CE1-CD2 3.49Å; F335-Y363 VanDerWaalsContact CE1-CD2 3.49Å; F335-Y363 AromaticContact CE1-CE2 3.67Å; F335-Y363 HydrophobicContact CE1-CE2 3.67Å; F335-Y363 AromaticContact CZ-CD2 3.74Å; F335-Y363 HydrophobicContact CZ-CD2 3.74Å; F335-Y363 AromaticContact CZ-CE2 3.75Å; F335-Y363 HydrophobicContact CZ-CE2 3.75Å |
| 336 | Q | 84.9 | Confident | 82.9 | Confident | 35 Ų | 35 | 49.2 Ų | 49.2 | 16% | 0.164 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 151.1 | 168.1 | -72.4 | 165.2 | 20.7 | 0 | 0 | 108.9 | K273 I351 Y352 | K273-Q336 VanDerWaalsContact NZ-CD 3.25Å; K273-Q336 VanDerWaalsContact NZ-NE2 3.14Å; Q336-I351 CarbonylContact O-C 3.51Å; Q336-I351 WeakPolarHBondContact O-CA 3.17Å; Q336-Y352 HydrophobicContact CB-CD1 4.2Å; Q336-Y352 HydrophobicContact CB-CE1 3.62Å; Q336-Y352 HydrophobicContact CB-CE2 4.49Å; Q336-Y352 PolarHBondContact N-O 3.3Å; Q336-Y352 WeakPolarHBondContact O-CD1 3.45Å; Q336-Y352 PolarHBondContact O-N 2.93Å; Q336-Y352 PolarHBondContact OE1-OH 2.7Å |
| 337 | C | 85.7 | Confident | 83.2 | Confident | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.027 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 134.6 | 175.2 | -74.5 | 0 | 0 | 0 | 0 | 110.3 | T274 C276 I349 | T274-C337 WeakPolarHBondContact O-CB 3.48Å; C276-C337 WeakPolarHBondContact CA-SG 3.3Å; C276-C337 HydrophobicContact CB-CB 4.05Å; C276-C337 WeakPolarHBondContact CB-SG 3.32Å; C276-C337 WeakPolarHBondContact SG-CB 3.3Å; C276-C337 CovalentContact SG-SG 2.03Å; C276-C337 PolarHBondContact SG-SG 2.03Å; C337-I349 HydrophobicContact CB-CG2 4.26Å; C337-I349 WeakPolarHBondContact SG-CG2 3.16Å |
| 338 | H | 79.6 | Confident | 83.3 | Confident | 15 Ų | 15 | 49.6 Ų | 49.6 | 7% | 0.069 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | -46.3 | -179.9 | -176.9 | -79.4 | 0 | 0 | 0 | 111.5 | I262 T274 L350 Y352 F362 | I262-H338 WeakPolarHBondContact CG2-NE2 3.41Å; T274-H338 PolarHBondContact OG1-O 2.83Å; H338-L350 HydrophobicContact CB-CB 4.25Å; H338-L350 HydrophobicContact CB-CD2 3.9Å; H338-L350 HydrophobicContact CB-CG 4.02Å; H338-L350 WeakPolarHBondContact CB-O 3.48Å; H338-L350 PolarHBondContact N-O 2.8Å; H338-Y352 HydrophobicContact CB-CD1 3.81Å; H338-Y352 HydrophobicContact CB-CE1 4.23Å; H338-F362 AromaticContact CD2-CE1 4Å |
| 339 | S | 81.4 | Confident | 83.6 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 3% | 0.028 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.7 | 155.3 | -170.1 | 50.3 | 0 | 0 | 0 | 0 | 110.5 | S230 V231 L350 | S230-S339 VanDerWaalsContact OG-CB 3.26Å; S230-S339 WeakPolarHBondContact OG-CB 3.41Å; V231-S339 WeakPolarHBondContact CG2-OG 3.32Å; S339-L350 PolarHBondContact O-N 2.74Å |
| 340 | T | 84.3 | Confident | 84 | Confident | 45 Ų | 45 | 42.9 Ų | 42.9 | 28% | 0.276 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 153.7 | 177.8 | 84.3 | 0 | 0 | 0 | 0 | 109.9 | P277 Y348 | P277-T340 HydrophobicContact CG-CG2 3.78Å; T340-Y348 VanDerWaalsContact CA-O 3.26Å; T340-Y348 WeakPolarHBondContact CA-O 3.41Å |
| 341 | W | 83.5 | Confident | 84.5 | Confident | 18 Ų | 18 | 38.6 Ų | 38.6 | 7% | 0.068 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 172.6 | 169.3 | 65.5 | 92.2 | 0 | 0 | 0 | 111.4 | I223 V231 Y348 L350 Q364 L393 | I223-W341 HydrophobicContact CD1-CD2 4.43Å; I223-W341 HydrophobicContact CG2-CB 3.45Å; I223-W341 VanDerWaalsContact CG2-CB 3.45Å; I223-W341 HydrophobicContact CG2-CD2 4.29Å; I223-W341 HydrophobicContact CG2-CG 3.52Å; V231-W341 HydrophobicContact CG2-CZ3 4.21Å; W341-Y348 AromaticContact CD1-CD2 3.76Å; W341-Y348 AromaticContact CD1-CG 3.99Å; W341-Y348 HydrophobicContact CD2-CG 4.31Å; W341-Y348 AromaticContact CE2-CD1 3.88Å; W341-Y348 AromaticContact CE2-CG 3.5Å; W341-Y348 VanDerWaalsContact CE2-CG 3.5Å; W341-Y348 VanDerWaalsContact CZ2-CB 3.45Å; W341-Y348 AromaticContact CZ2-CD1 3.63Å; W341-Y348 HydrophobicContact CZ2-CD1 3.63Å; W341-Y348 AromaticContact CZ2-CG 3.69Å; W341-Y348 HydrophobicContact CZ2-CG 3.69Å; W341-Y348 PolarHBondContact N-O 2.8Å; W341-Y348 AromaticContact NE1-CD1 3.77Å; W341-Y348 AromaticContact NE1-CD2 3.38Å; W341-Y348 AromaticContact NE1-CG 3.27Å; W341-Y348 VanDerWaalsContact NE1-CG 3.27Å; W341-Y348 PolarHBondContact O-N 2.8Å; W341-L350 HydrophobicContact CH2-CB 4.32Å; W341-L350 HydrophobicContact CZ3-CB 3.97Å; W341-Q364 HydrophobicContact CH2-CG 4.26Å; W341-L393 HydrophobicContact CH2-CD1 3.55Å; W341-L393 HydrophobicContact CZ2-CD1 4.3Å; W341-L393 HydrophobicContact CZ3-CD1 4.23Å |
| 342 | K | 83.9 | Confident | 84.7 | Confident | 131 Ų | 131 | 32.8 Ų | 32.8 | 57% | 0.57 | 17% | 0.165 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 135 | 172.7 | -162.7 | 171.9 | -175 | 169.1 | 0 | 110.2 | N345 L346 | K342-N345 WeakPolarHBondContact CE-O 3.28Å; K342-L346 CarbonylContact C-O 3.59Å; K342-L346 WeakPolarHBondContact CA-O 3.29Å; K342-L346 WeakPolarHBondContact CG-O 3.17Å |
| 343 | S | 80 | Confident | 84.7 | Confident | 32 Ų | 32 | 31.1 Ų | 31.1 | 22% | 0.224 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 136.6 | 176.6 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | N345 L346 | S343-N345 PolarHBondContact O-N 2.95Å; S343-N345 VanDerWaalsContact O-N 3.1Å; S343-L346 PolarHBondContact N-O 3.06Å; S343-L346 WeakPolarHBondContact O-CA 3.43Å; S343-L346 WeakPolarHBondContact O-CB 3.5Å; S343-L346 PolarHBondContact O-N 3.36Å |
| 344 | N | 78 | Confident | 84 | Confident | 106 Ų | 106 | 36 Ų | 36 | 57% | 0.567 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 41.7 | 175.9 | -64.5 | -32.2 | 0 | 0 | 0 | 114.1 | L346 E400 I404 | N344-L346 PolarHBondContact O-N 3.38Å; N344-L346 VanDerWaalsContact O-N 3.08Å; N344-E400 PolarHBondContact ND2-OE2 2.94Å; N344-I404 HydrophobicContact CB-CD1 4.32Å |
| 345 | N | 82.7 | Confident | 83.2 | Confident | 119 Ų | 119 | 38.5 Ų | 38.5 | 64% | 0.636 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63 | -8.7 | -171.2 | -68.9 | -35.8 | 0 | 0 | 0 | 117.3 | K342 S343 L368 | K342-N345 WeakPolarHBondContact CE-O 3.28Å; S343-N345 PolarHBondContact O-N 2.95Å; S343-N345 VanDerWaalsContact O-N 3.1Å; N345-L368 HydrophobicContact CB-CD1 4.48Å |
| 346 | L | 86.9 | Confident | 81.8 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 142.3 | 171.6 | -57.7 | 174.7 | 0 | 0 | 0 | 110.7 | K342 S343 N344 Y348 V366 L368 I403 I404 I407 | K342-L346 CarbonylContact C-O 3.59Å; K342-L346 WeakPolarHBondContact CA-O 3.29Å; K342-L346 WeakPolarHBondContact CG-O 3.17Å; S343-L346 PolarHBondContact N-O 3.06Å; S343-L346 WeakPolarHBondContact O-CA 3.43Å; S343-L346 WeakPolarHBondContact O-CB 3.5Å; S343-L346 PolarHBondContact O-N 3.36Å; N344-L346 PolarHBondContact O-N 3.38Å; N344-L346 VanDerWaalsContact O-N 3.08Å; L346-Y348 HydrophobicContact CB-CD2 4.41Å; L346-Y348 HydrophobicContact CB-CE2 3.62Å; L346-Y348 WeakPolarHBondContact O-CD2 3.26Å; L346-Y348 WeakPolarHBondContact O-CE2 3.37Å; L346-V366 HydrophobicContact CB-CG1 3.97Å; L346-V366 HydrophobicContact CD1-CG1 3.96Å; L346-V366 HydrophobicContact CG-CG1 4.4Å; L346-L368 HydrophobicContact CD2-CB 4.48Å; L346-L368 HydrophobicContact CD2-CD1 4.3Å; L346-I403 HydrophobicContact CD1-CB 4.39Å; L346-I403 HydrophobicContact CD1-CG2 3.76Å; L346-I403 HydrophobicContact CD2-CG2 3.97Å; L346-I404 HydrophobicContact CD1-CD1 4.49Å; L346-I404 HydrophobicContact CD1-CG1 4.12Å; L346-I407 HydrophobicContact CD2-CD1 3.47Å; L346-I407 VanDerWaalsContact CD2-CD1 3.47Å |
| 347 | N | 89 | Confident | 80.4 | Confident | 32 Ų | 32 | 46.8 Ų | 46.8 | 17% | 0.171 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 140.6 | 172.2 | -37.2 | -85.6 | 0 | 0 | 0 | 108.4 | V366 Y367 L368 | N347-V366 WeakPolarHBondContact O-CA 3.18Å; N347-Y367 HydrophobicContact CB-CD2 4.22Å; N347-Y367 HydrophobicContact CB-CE1 4.06Å; N347-Y367 HydrophobicContact CB-CE2 3.73Å; N347-Y367 PolarHBondContact N-O 3.44Å; N347-Y367 PolarHBondContact ND2-O 3.35Å; N347-Y367 PolarHBondContact O-N 3.01Å; N347-L368 PolarHBondContact ND2-O 2.84Å |
| 348 | Y | 87.7 | Confident | 78.9 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 2% | 0.02 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.9 | -175.5 | -64.2 | -110.5 | 0 | 0 | 0 | 109.4 | T340 W341 L346 L365 V366 E400 | T340-Y348 VanDerWaalsContact CA-O 3.26Å; T340-Y348 WeakPolarHBondContact CA-O 3.41Å; W341-Y348 AromaticContact CD1-CD2 3.76Å; W341-Y348 AromaticContact CD1-CG 3.99Å; W341-Y348 HydrophobicContact CD2-CG 4.31Å; W341-Y348 AromaticContact CE2-CD1 3.88Å; W341-Y348 AromaticContact CE2-CG 3.5Å; W341-Y348 VanDerWaalsContact CE2-CG 3.5Å; W341-Y348 VanDerWaalsContact CZ2-CB 3.45Å; W341-Y348 AromaticContact CZ2-CD1 3.63Å; W341-Y348 HydrophobicContact CZ2-CD1 3.63Å; W341-Y348 AromaticContact CZ2-CG 3.69Å; W341-Y348 HydrophobicContact CZ2-CG 3.69Å; W341-Y348 PolarHBondContact N-O 2.8Å; W341-Y348 AromaticContact NE1-CD1 3.77Å; W341-Y348 AromaticContact NE1-CD2 3.38Å; W341-Y348 AromaticContact NE1-CG 3.27Å; W341-Y348 VanDerWaalsContact NE1-CG 3.27Å; W341-Y348 PolarHBondContact O-N 2.8Å; L346-Y348 HydrophobicContact CB-CD2 4.41Å; L346-Y348 HydrophobicContact CB-CE2 3.62Å; L346-Y348 WeakPolarHBondContact O-CD2 3.26Å; L346-Y348 WeakPolarHBondContact O-CE2 3.37Å; Y348-L365 CarbonylContact C-O 3.57Å; Y348-L365 WeakPolarHBondContact CA-O 3.43Å; Y348-V366 HydrophobicContact CD1-CG1 4.26Å; Y348-V366 HydrophobicContact CD1-CG2 3.65Å; Y348-V366 HydrophobicContact CE1-CG1 3.98Å; Y348-V366 HydrophobicContact CE1-CG2 3.76Å; Y348-V366 HydrophobicContact CE2-CG1 4.38Å; Y348-V366 HydrophobicContact CG-CG2 4.45Å; Y348-E400 PolarHBondContact OH-OE1 3.19Å |
| 349 | I | 89.3 | Confident | 77.8 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 123.3 | 168.3 | -52.3 | 162.8 | 0 | 0 | 0 | 106.9 | P277 I278 C337 I351 Q364 L365 Y367 | P277-I349 HydrophobicContact CG-CD1 3.67Å; P277-I349 HydrophobicContact CG-CG1 3.66Å; I278-I349 HydrophobicContact CD1-CD1 3.53Å; I278-I349 HydrophobicContact CG1-CD1 3.69Å; C337-I349 HydrophobicContact CB-CG2 4.26Å; C337-I349 WeakPolarHBondContact SG-CG2 3.16Å; I349-I351 HydrophobicContact CB-CG2 4.38Å; I349-I351 HydrophobicContact CG2-CG2 3.61Å; I349-Q364 WeakPolarHBondContact O-CA 3.34Å; I349-L365 HydrophobicContact CB-CB 4.32Å; I349-L365 PolarHBondContact N-O 2.81Å; I349-L365 PolarHBondContact O-N 3.26Å; I349-Y367 HydrophobicContact CD1-CE1 3.72Å; I349-Y367 HydrophobicContact CG1-CE1 4.02Å |
| 350 | L | 87 | Confident | 77.3 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 116.8 | 164 | -178.6 | 68.2 | 0 | 0 | 0 | 108.2 | V231 I262 H338 S339 W341 F362 L393 | V231-L350 HydrophobicContact CG2-CD2 4.27Å; I262-L350 HydrophobicContact CD1-CD1 4.3Å; I262-L350 HydrophobicContact CD1-CD2 3.45Å; I262-L350 VanDerWaalsContact CD1-CD2 3.45Å; I262-L350 HydrophobicContact CG1-CD2 3.64Å; H338-L350 HydrophobicContact CB-CB 4.25Å; H338-L350 HydrophobicContact CB-CD2 3.9Å; H338-L350 HydrophobicContact CB-CG 4.02Å; H338-L350 WeakPolarHBondContact CB-O 3.48Å; H338-L350 PolarHBondContact N-O 2.8Å; S339-L350 PolarHBondContact O-N 2.74Å; W341-L350 HydrophobicContact CH2-CB 4.32Å; W341-L350 HydrophobicContact CZ3-CB 3.97Å; L350-F362 HydrophobicContact CD1-CB 4.07Å; L350-F362 HydrophobicContact CD1-CD1 3.86Å; L350-F362 HydrophobicContact CD1-CG 4.46Å; L350-F362 HydrophobicContact CD2-CD1 3.92Å; L350-F362 HydrophobicContact CD2-CE1 4.16Å; L350-F362 HydrophobicContact CG-CD1 3.89Å; L350-L393 HydrophobicContact CD1-CB 4.13Å; L350-L393 HydrophobicContact CD1-CD1 3.94Å; L350-L393 HydrophobicContact CD2-CD1 4.22Å |
| 351 | I | 88.4 | Confident | 76.8 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 146.6 | 174.1 | 69.3 | 173.9 | 0 | 0 | 0 | 109.6 | I315 F335 Q336 I349 F362 Y363 L365 | I315-I351 HydrophobicContact CD1-CG2 3.98Å; F335-I351 HydrophobicContact CB-CB 3.94Å; F335-I351 HydrophobicContact CB-CD1 3.99Å; F335-I351 HydrophobicContact CB-CG1 4.19Å; F335-I351 HydrophobicContact CD1-CD1 4.19Å; F335-I351 HydrophobicContact CD1-CG1 4.2Å; F335-I351 HydrophobicContact CD2-CD1 3.75Å; F335-I351 HydrophobicContact CE2-CD1 4.19Å; F335-I351 HydrophobicContact CG-CB 4.41Å; F335-I351 HydrophobicContact CG-CD1 3.73Å; F335-I351 HydrophobicContact CG-CG1 4.11Å; Q336-I351 CarbonylContact O-C 3.51Å; Q336-I351 WeakPolarHBondContact O-CA 3.17Å; I349-I351 HydrophobicContact CB-CG2 4.38Å; I349-I351 HydrophobicContact CG2-CG2 3.61Å; I351-F362 CarbonylContact O-C 3.57Å; I351-F362 VanDerWaalsContact O-CA 3.3Å; I351-F362 WeakPolarHBondContact O-CA 3.07Å; I351-Y363 WeakPolarHBondContact CG1-O 3.48Å; I351-Y363 PolarHBondContact N-O 2.99Å; I351-Y363 PolarHBondContact O-N 3.33Å; I351-L365 HydrophobicContact CD1-CD1 4.1Å; I351-L365 HydrophobicContact CD1-CD2 4Å; I351-L365 HydrophobicContact CD1-CG 3.93Å; I351-L365 HydrophobicContact CG1-CG 4.42Å; I351-L365 HydrophobicContact CG2-CD1 4.11Å; I351-L365 HydrophobicContact CG2-CG 4.24Å |
| 352 | Y | 84.2 | Confident | 76.7 | Confident | 21 Ų | 21 | 51.4 Ų | 51.4 | 8% | 0.082 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 157.3 | -178.3 | 78 | -80.2 | 0 | 0 | 0 | 112.4 | L265 F335 Q336 H338 Y360 E361 F362 | L265-Y352 HydrophobicContact CD1-CD1 4.2Å; L265-Y352 HydrophobicContact CD1-CD2 3.42Å; L265-Y352 VanDerWaalsContact CD1-CD2 3.42Å; L265-Y352 HydrophobicContact CD1-CE1 4.13Å; L265-Y352 HydrophobicContact CD1-CE2 3.34Å; L265-Y352 HydrophobicContact CD1-CG 3.85Å; L265-Y352 HydrophobicContact CD2-CE1 4.2Å; L265-Y352 HydrophobicContact CD2-CE2 4.32Å; L265-Y352 HydrophobicContact CG-CE2 4.47Å; F335-Y352 CarbonylContact C-O 3.53Å; F335-Y352 VanDerWaalsContact CA-O 3.26Å; F335-Y352 WeakPolarHBondContact CA-O 3.17Å; F335-Y352 WeakPolarHBondContact CB-O 3.35Å; Q336-Y352 HydrophobicContact CB-CD1 4.2Å; Q336-Y352 HydrophobicContact CB-CE1 3.62Å; Q336-Y352 HydrophobicContact CB-CE2 4.49Å; Q336-Y352 PolarHBondContact N-O 3.3Å; Q336-Y352 WeakPolarHBondContact O-CD1 3.45Å; Q336-Y352 PolarHBondContact O-N 2.93Å; Q336-Y352 PolarHBondContact OE1-OH 2.7Å; H338-Y352 HydrophobicContact CB-CD1 3.81Å; H338-Y352 HydrophobicContact CB-CE1 4.23Å; Y352-Y360 AromaticContact CD2-CD1 3.9Å; Y352-Y360 HydrophobicContact CD2-CD1 3.9Å; Y352-Y360 HydrophobicContact CD2-CE1 4.45Å; Y352-Y360 HydrophobicContact CE2-CD1 4.17Å; Y352-Y360 HydrophobicContact CE2-CE1 4.25Å; Y352-E361 CarbonylContact C-O 3.43Å; Y352-E361 WeakPolarHBondContact CA-O 3.5Å; Y352-F362 HydrophobicContact CG-CE1 4.32Å |
| 353 | R | 80.4 | Confident | 76.8 | Confident | 43 Ų | 43 | 45.5 Ų | 45.5 | 16% | 0.162 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 152 | 168 | 68.2 | 177.2 | -177.1 | 159.9 | -2.8 | 110.8 | V328 Q334 F335 Y360 E361 | V328-R353 VanDerWaalsContact CG2-NH1 3.33Å; Q334-R353 WeakPolarHBondContact O-CB 3.14Å; F335-R353 HydrophobicContact CD1-CB 3.76Å; F335-R353 HydrophobicContact CD1-CG 3.86Å; F335-R353 HydrophobicContact CE1-CB 4.17Å; F335-R353 HydrophobicContact CE1-CG 3.73Å; R353-Y360 WeakPolarHBondContact O-CA 3.29Å; R353-E361 HydrophobicContact CG-CB 4.35Å; R353-E361 IonicContact CZ-OE2 2.73Å; R353-E361 PolarHBondContact N-O 2.79Å; R353-E361 IonicContact NE-OE2 2.79Å; R353-E361 PolarHBondContact NE-OE2 3.18Å; R353-E361 IonicContact NH2-OE2 2.68Å; R353-E361 PolarHBondContact NH2-OE2 3.49Å; R353-E361 PolarHBondContact O-N 2.71Å |
| 354 | Q | 72.2 | Confident | 77.2 | Confident | 107 Ų | 107 | 44 Ų | 44 | 50% | 0.5 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 127.2 | 176 | -167.9 | 167.2 | 19.1 | 0 | 0 | 109.8 | N356 Q357 Y360 | Q354-N356 WeakPolarHBondContact CG-O 3.09Å; Q354-N356 PolarHBondContact NE2-O 3.22Å; Q354-Q357 PolarHBondContact NE2-O 3.03Å; Q354-Y360 HydrophobicContact CB-CD1 3.84Å; Q354-Y360 HydrophobicContact CB-CE1 3.79Å; Q354-Y360 HydrophobicContact CG-CD1 4.01Å; Q354-Y360 HydrophobicContact CG-CE1 3.7Å |
| 355 | I | 68.2 | Low | 77.8 | Confident | 89 Ų | 89 | 38.9 Ų | 38.9 | 46% | 0.456 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -95 | -31.4 | 177.3 | -68 | 177.5 | 0 | 0 | 0 | 111 | T359 E361 | I355-T359 PolarHBondContact N-O 2.76Å; I355-E361 HydrophobicContact CD1-CB 3.72Å; I355-E361 HydrophobicContact CG1-CB 4.32Å |
| 356 | N | 61.2 | Low | 78.2 | Confident | 69 Ų | 69 | 33.2 Ų | 33.2 | 37% | 0.369 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -156.4 | -178.5 | 169 | 64.6 | 56.9 | 0 | 0 | 0 | 109 | Q354 Y358 T359 | Q354-N356 WeakPolarHBondContact CG-O 3.09Å; Q354-N356 PolarHBondContact NE2-O 3.22Å; N356-Y358 PolarHBondContact O-N 3.36Å; N356-Y358 PolarHBondContact OD1-N 3.38Å; N356-T359 PolarHBondContact N-OG1 3.36Å; N356-T359 PolarHBondContact ND2-OG1 2.75Å; N356-T359 PolarHBondContact O-N 2.95Å; N356-T359 PolarHBondContact OD1-N 2.71Å; N356-T359 PolarHBondContact OD1-OG1 2.77Å |
| 357 | Q | 54.3 | Low | 78.4 | Confident | 141 Ų | 141 | 34 Ų | 34 | 66% | 0.659 | 16% | 0.155 | S | C | * | . | S | Bend | trans | -46 | -26.5 | -177.8 | -73.6 | 179.9 | -23.4 | 0 | 0 | 115.7 | Q354 | Q354-Q357 PolarHBondContact NE2-O 3.03Š|
| 358 | Y | 54.5 | Low | 78.4 | Confident | 118 Ų | 118 | 36.3 Ų | 36.3 | 46% | 0.463 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -118.9 | -39 | -177.9 | -49.9 | -76.2 | 0 | 0 | 0 | 113.3 | N87 N356 Y360 | N87-Y358 PolarHBondContact ND2-O 2.73Å; N87-Y358 VanDerWaalsContact OD1-CB 3.3Å; N87-Y358 WeakPolarHBondContact OD1-CB 3.29Å; N356-Y358 PolarHBondContact O-N 3.36Å; N356-Y358 PolarHBondContact OD1-N 3.38Å; Y358-Y360 WeakPolarHBondContact O-CD2 3.32Å |
| 359 | T | 56.6 | Low | 78.3 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 3% | 0.025 | 20% | 0.197 | C | C | . | . | trans | -84 | 131.1 | -174.2 | 59.4 | 0 | 0 | 0 | 0 | 113.5 | L89 I355 N356 | L89-T359 HydrophobicContact CB-CG2 3.32Å; L89-T359 HydrophobicContact CD1-CG2 3.75Å; L89-T359 HydrophobicContact CG-CG2 4.15Å; I355-T359 PolarHBondContact N-O 2.76Å; N356-T359 PolarHBondContact N-OG1 3.36Å; N356-T359 PolarHBondContact ND2-OG1 2.75Å; N356-T359 PolarHBondContact O-N 2.95Å; N356-T359 PolarHBondContact OD1-N 2.71Å; N356-T359 PolarHBondContact OD1-OG1 2.77Å | ||
| 360 | Y | 70 | Confident | 78.2 | Confident | 35 Ų | 35 | 44.4 Ų | 44.4 | 14% | 0.137 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 143.8 | 172.1 | -58.4 | -82.2 | 0 | 0 | 0 | 110.6 | N90 L265 Y352 R353 Q354 Y358 | N90-Y360 PolarHBondContact ND2-O 3.07Å; N90-Y360 VanDerWaalsContact ND2-O 3.14Å; L265-Y360 HydrophobicContact CD1-CD1 4.26Å; L265-Y360 HydrophobicContact CD1-CE1 4.36Å; L265-Y360 HydrophobicContact CD1-CG 4.41Å; Y352-Y360 AromaticContact CD2-CD1 3.9Å; Y352-Y360 HydrophobicContact CD2-CD1 3.9Å; Y352-Y360 HydrophobicContact CD2-CE1 4.45Å; Y352-Y360 HydrophobicContact CE2-CD1 4.17Å; Y352-Y360 HydrophobicContact CE2-CE1 4.25Å; R353-Y360 WeakPolarHBondContact O-CA 3.29Å; Q354-Y360 HydrophobicContact CB-CD1 3.84Å; Q354-Y360 HydrophobicContact CB-CE1 3.79Å; Q354-Y360 HydrophobicContact CG-CD1 4.01Å; Q354-Y360 HydrophobicContact CG-CE1 3.7Å; Y358-Y360 WeakPolarHBondContact O-CD2 3.32Å |
| 361 | E | 75.2 | Confident | 78.1 | Confident | 17 Ų | 17 | 44.9 Ų | 44.9 | 8% | 0.079 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 140 | 173 | -177.9 | -172.5 | -150.5 | 0 | 0 | 109.4 | Y352 R353 I355 Y363 Y391 | Y352-E361 CarbonylContact C-O 3.43Å; Y352-E361 WeakPolarHBondContact CA-O 3.5Å; R353-E361 HydrophobicContact CG-CB 4.35Å; R353-E361 IonicContact CZ-OE2 2.73Å; R353-E361 PolarHBondContact N-O 2.79Å; R353-E361 IonicContact NE-OE2 2.79Å; R353-E361 PolarHBondContact NE-OE2 3.18Å; R353-E361 IonicContact NH2-OE2 2.68Å; R353-E361 PolarHBondContact NH2-OE2 3.49Å; R353-E361 PolarHBondContact O-N 2.71Å; I355-E361 HydrophobicContact CD1-CB 3.72Å; I355-E361 HydrophobicContact CG1-CB 4.32Å; E361-Y363 HydrophobicContact CG-CE2 3.72Å; E361-Y363 PolarHBondContact OE1-OH 3.24Å; E361-Y391 HydrophobicContact CG-CE2 4.34Å; E361-Y391 WeakPolarHBondContact OE1-CE2 3.48Å |
| 362 | F | 80.6 | Confident | 77.7 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 4% | 0.039 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 151.2 | -171 | -66.8 | -109.3 | 0 | 0 | 0 | 111.9 | W95 I262 L265 H338 L350 I351 Y352 G392 | W95-F362 HydrophobicContact CH2-CB 3.99Å; W95-F362 AromaticContact CH2-CD2 3.23Å; W95-F362 HydrophobicContact CH2-CD2 3.23Å; W95-F362 AromaticContact CH2-CE2 3.79Å; W95-F362 HydrophobicContact CH2-CE2 3.79Å; W95-F362 AromaticContact CH2-CG 3.84Å; W95-F362 HydrophobicContact CH2-CG 3.84Å; W95-F362 HydrophobicContact CZ2-CB 4.47Å; W95-F362 HydrophobicContact CZ2-CD2 4.13Å; W95-F362 AromaticContact CZ3-CD2 3.87Å; W95-F362 HydrophobicContact CZ3-CD2 3.87Å; W95-F362 AromaticContact CZ3-CE2 3.93Å; W95-F362 HydrophobicContact CZ3-CE2 3.93Å; I262-F362 HydrophobicContact CD1-CD1 4.18Å; I262-F362 HydrophobicContact CD1-CE1 4.17Å; I262-F362 HydrophobicContact CG2-CE1 4.48Å; L265-F362 HydrophobicContact CD1-CE1 4.31Å; L265-F362 HydrophobicContact CD1-CZ 3.99Å; H338-F362 AromaticContact CD2-CE1 4Å; L350-F362 HydrophobicContact CD1-CB 4.07Å; L350-F362 HydrophobicContact CD1-CD1 3.86Å; L350-F362 HydrophobicContact CD1-CG 4.46Å; L350-F362 HydrophobicContact CD2-CD1 3.92Å; L350-F362 HydrophobicContact CD2-CE1 4.16Å; L350-F362 HydrophobicContact CG-CD1 3.89Å; I351-F362 CarbonylContact O-C 3.57Å; I351-F362 VanDerWaalsContact O-CA 3.3Å; I351-F362 WeakPolarHBondContact O-CA 3.07Å; Y352-F362 HydrophobicContact CG-CE1 4.32Å; F362-G392 VanDerWaalsContact O-CA 3.24Å; F362-G392 WeakPolarHBondContact O-CA 3.32Å; F362-G392 PolarHBondContact O-N 3.42Å |
| 363 | Y | 86.3 | Confident | 77.4 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 3% | 0.027 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 148.8 | 174 | -65.5 | -99.8 | 0 | 0 | 0 | 110 | F327 F335 I351 E361 I389 I390 Y391 G392 | F327-Y363 HydrophobicContact CD1-CD1 4.12Å; F327-Y363 HydrophobicContact CD1-CD2 4.3Å; F327-Y363 AromaticContact CD1-CE1 3.69Å; F327-Y363 HydrophobicContact CD1-CE1 3.69Å; F327-Y363 AromaticContact CD1-CE2 3.94Å; F327-Y363 HydrophobicContact CD1-CE2 3.94Å; F327-Y363 HydrophobicContact CD1-CG 4.41Å; F327-Y363 AromaticContact CD1-CZ 3.64Å; F327-Y363 HydrophobicContact CE1-CD1 4.2Å; F327-Y363 HydrophobicContact CE1-CE1 4.22Å; F327-Y363 HydrophobicContact CE1-CG 4.39Å; F335-Y363 HydrophobicContact CD1-CD2 4.43Å; F335-Y363 AromaticContact CE1-CD2 3.49Å; F335-Y363 HydrophobicContact CE1-CD2 3.49Å; F335-Y363 VanDerWaalsContact CE1-CD2 3.49Å; F335-Y363 AromaticContact CE1-CE2 3.67Å; F335-Y363 HydrophobicContact CE1-CE2 3.67Å; F335-Y363 AromaticContact CZ-CD2 3.74Å; F335-Y363 HydrophobicContact CZ-CD2 3.74Å; F335-Y363 AromaticContact CZ-CE2 3.75Å; F335-Y363 HydrophobicContact CZ-CE2 3.75Å; I351-Y363 WeakPolarHBondContact CG1-O 3.48Å; I351-Y363 PolarHBondContact N-O 2.99Å; I351-Y363 PolarHBondContact O-N 3.33Å; E361-Y363 HydrophobicContact CG-CE2 3.72Å; E361-Y363 PolarHBondContact OE1-OH 3.24Å; Y363-I389 HydrophobicContact CD1-CG2 3.6Å; Y363-I389 HydrophobicContact CE1-CG2 4.45Å; Y363-I389 HydrophobicContact CG-CG2 4.25Å; Y363-I390 WeakPolarHBondContact CA-O 3.35Å; Y363-Y391 HydrophobicContact CD1-CD2 4.22Å; Y363-Y391 AromaticContact CE1-CD2 3.45Å; Y363-Y391 HydrophobicContact CE1-CD2 3.45Å; Y363-Y391 VanDerWaalsContact CE1-CD2 3.45Å; Y363-Y391 HydrophobicContact CE1-CE2 4.12Å; Y363-Y391 HydrophobicContact CE1-CG 4.25Å; Y363-Y391 AromaticContact CZ-CD2 3.63Å; Y363-Y391 AromaticContact CZ-CE2 3.81Å; Y363-Y391 WeakPolarHBondContact OH-CE2 3.39Å; Y363-G392 CarbonylContact C-O 3.56Å |
| 364 | Q | 88.1 | Confident | 76.8 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 127.3 | 164.7 | -71.7 | 161.6 | -42.6 | 0 | 0 | 109.6 | W341 I349 V366 I389 I390 G392 L393 Q394 | W341-Q364 HydrophobicContact CH2-CG 4.26Å; I349-Q364 WeakPolarHBondContact O-CA 3.34Å; Q364-V366 HydrophobicContact CB-CG2 4.31Å; Q364-I389 WeakPolarHBondContact O-CA 3.48Å; Q364-I390 HydrophobicContact CB-CB 4.17Å; Q364-I390 HydrophobicContact CB-CD1 4.4Å; Q364-I390 HydrophobicContact CB-CG1 4.36Å; Q364-I390 PolarHBondContact N-O 3.18Å; Q364-I390 PolarHBondContact O-N 2.95Å; Q364-G392 WeakPolarHBondContact CG-O 3Å; Q364-G392 PolarHBondContact N-O 3.1Å; Q364-G392 VanDerWaalsContact N-O 3.1Å; Q364-L393 HydrophobicContact CG-CD1 4.45Å; Q364-Q394 VanDerWaalsContact CD-N 3.34Å; Q364-Q394 PolarHBondContact NE2-O 2.76Å; Q364-Q394 PolarHBondContact OE1-O 3.3Å |
| 365 | L | 91.5 | Very high | 76.6 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 131.1 | 158.6 | -55.5 | -176.1 | 0 | 0 | 0 | 108.6 | I278 I315 W317 Y348 I349 I351 I387 W388 I389 | I278-L365 HydrophobicContact CD1-CD1 4.32Å; I315-L365 HydrophobicContact CD1-CD1 3.63Å; W317-L365 HydrophobicContact CZ2-CD1 4.41Å; W317-L365 HydrophobicContact CZ2-CD2 4.04Å; Y348-L365 CarbonylContact C-O 3.57Å; Y348-L365 WeakPolarHBondContact CA-O 3.43Å; I349-L365 HydrophobicContact CB-CB 4.32Å; I349-L365 PolarHBondContact N-O 2.81Å; I349-L365 PolarHBondContact O-N 3.26Å; I351-L365 HydrophobicContact CD1-CD1 4.1Å; I351-L365 HydrophobicContact CD1-CD2 4Å; I351-L365 HydrophobicContact CD1-CG 3.93Å; I351-L365 HydrophobicContact CG1-CG 4.42Å; I351-L365 HydrophobicContact CG2-CD1 4.11Å; I351-L365 HydrophobicContact CG2-CG 4.24Å; L365-I387 HydrophobicContact CB-CG2 4.1Å; L365-I387 HydrophobicContact CD2-CG2 4.34Å; L365-W388 WeakPolarHBondContact CA-O 3.21Å; L365-I389 HydrophobicContact CD2-CB 4.43Å; L365-I389 HydrophobicContact CD2-CD1 3.81Å; L365-I389 HydrophobicContact CD2-CG1 3.67Å; L365-I389 HydrophobicContact CD2-CG2 4.43Å |
| 366 | V | 91.4 | Very high | 76.2 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 132.4 | -178.8 | -170 | 0 | 0 | 0 | 0 | 110 | L346 N347 Y348 Q364 I387 W388 I390 I403 | L346-V366 HydrophobicContact CB-CG1 3.97Å; L346-V366 HydrophobicContact CD1-CG1 3.96Å; L346-V366 HydrophobicContact CG-CG1 4.4Å; N347-V366 WeakPolarHBondContact O-CA 3.18Å; Y348-V366 HydrophobicContact CD1-CG1 4.26Å; Y348-V366 HydrophobicContact CD1-CG2 3.65Å; Y348-V366 HydrophobicContact CE1-CG1 3.98Å; Y348-V366 HydrophobicContact CE1-CG2 3.76Å; Y348-V366 HydrophobicContact CE2-CG1 4.38Å; Y348-V366 HydrophobicContact CG-CG2 4.45Å; Q364-V366 HydrophobicContact CB-CG2 4.31Å; V366-I387 WeakPolarHBondContact O-CA 3.21Å; V366-W388 HydrophobicContact CB-CB 4.5Å; V366-W388 PolarHBondContact N-O 3.27Å; V366-W388 PolarHBondContact O-N 2.85Å; V366-I390 HydrophobicContact CG2-CD1 3.85Å; V366-I390 HydrophobicContact CG2-CG1 4.26Å; V366-I403 HydrophobicContact CB-CD1 4.29Å; V366-I403 HydrophobicContact CG1-CD1 4.16Å |
| 367 | Y | 90.4 | Very high | 76.3 | Confident | 18 Ų | 18 | 59.4 Ų | 59.4 | 7% | 0.071 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 150.2 | 180 | 62.9 | -85.6 | 0 | 0 | 0 | 112.9 | I278 N347 I349 L370 | I278-Y367 HydrophobicContact CD1-CE1 4.44Å; I278-Y367 HydrophobicContact CG1-CE1 4.49Å; N347-Y367 HydrophobicContact CB-CD2 4.22Å; N347-Y367 HydrophobicContact CB-CE1 4.06Å; N347-Y367 HydrophobicContact CB-CE2 3.73Å; N347-Y367 PolarHBondContact N-O 3.44Å; N347-Y367 PolarHBondContact ND2-O 3.35Å; N347-Y367 PolarHBondContact O-N 3.01Å; I349-Y367 HydrophobicContact CD1-CE1 3.72Å; I349-Y367 HydrophobicContact CG1-CE1 4.02Å; Y367-L370 HydrophobicContact CD1-CD2 4.18Å; Y367-L370 HydrophobicContact CD2-CD2 3.53Å; Y367-L370 HydrophobicContact CD2-CG 3.83Å; Y367-L370 HydrophobicContact CE1-CD2 4.22Å; Y367-L370 HydrophobicContact CE2-CD1 4.13Å; Y367-L370 HydrophobicContact CE2-CD2 3.58Å; Y367-L370 HydrophobicContact CE2-CG 3.53Å; Y367-L370 HydrophobicContact CG-CD2 3.84Å |
| 368 | L | 87.9 | Confident | 76.6 | Confident | 79 Ų | 79 | 53.4 Ų | 53.4 | 41% | 0.414 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -79.8 | -49.2 | 173.6 | -173 | 76.7 | 0 | 0 | 0 | 111.7 | N345 L346 N347 I407 | N345-L368 HydrophobicContact CB-CD1 4.48Å; L346-L368 HydrophobicContact CD2-CB 4.48Å; L346-L368 HydrophobicContact CD2-CD1 4.3Å; N347-L368 PolarHBondContact ND2-O 2.84Å; L368-I407 HydrophobicContact CB-CD1 4.13Å; L368-I407 HydrophobicContact CD2-CG2 3.9Å |
| 369 | Q | 86.7 | Confident | 76.9 | Confident | 138 Ų | 138 | 54.8 Ų | 54.8 | 65% | 0.645 | 28% | 0.277 | S | S | * | . | trans | -153.5 | 144.7 | -179.1 | -171.9 | 172.1 | 2.5 | 0 | 0 | 109 | ||||
| 370 | L | 86.3 | Confident | 77.3 | Confident | 37 Ų | 37 | 59.5 Ų | 59.5 | 19% | 0.194 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -83.8 | 154.5 | 177.8 | -60.4 | 175.4 | 0 | 0 | 0 | 111.3 | I278 Y367 V372 I387 | I278-L370 HydrophobicContact CB-CD1 4.27Å; I278-L370 HydrophobicContact CD1-CD2 4.08Å; I278-L370 HydrophobicContact CG1-CD1 3.75Å; I278-L370 HydrophobicContact CG1-CD2 3.76Å; I278-L370 HydrophobicContact CG1-CG 4.41Å; I278-L370 HydrophobicContact CG2-CD1 4.5Å; Y367-L370 HydrophobicContact CD1-CD2 4.18Å; Y367-L370 HydrophobicContact CD2-CD2 3.53Å; Y367-L370 HydrophobicContact CD2-CG 3.83Å; Y367-L370 HydrophobicContact CE1-CD2 4.22Å; Y367-L370 HydrophobicContact CE2-CD1 4.13Å; Y367-L370 HydrophobicContact CE2-CD2 3.58Å; Y367-L370 HydrophobicContact CE2-CG 3.53Å; Y367-L370 HydrophobicContact CG-CD2 3.84Å; L370-V372 PolarHBondContact O-N 2.81Å; L370-I387 HydrophobicContact CD2-CD1 4.17Å |
| 371 | P | 84.7 | Confident | 77.3 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 7% | 0.071 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 122.4 | 169.6 | -24.4 | 33.3 | 0 | 0 | 0 | 111.2 | F282 I437 R439 | F282-P371 HydrophobicContact CD1-CG 4.27Å; F282-P371 HydrophobicContact CE1-CB 4.34Å; F282-P371 HydrophobicContact CE1-CG 4.22Å; P371-I437 HydrophobicContact CG-CD1 3.77Å; P371-I437 HydrophobicContact CG-CG1 3.84Å; P371-R439 HydrophobicContact CB-CG 4.22Å |
| 372 | V | 81.5 | Confident | 77.2 | Confident | 109 Ų | 109 | 61.4 Ų | 61.4 | 66% | 0.661 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 143.6 | -174.3 | -169.7 | 0 | 0 | 0 | 0 | 111.1 | L370 | L370-V372 PolarHBondContact O-N 2.81Š|
| 373 | E | 77 | Confident | 77.3 | Confident | 112 Ų | 112 | 70 Ų | 70 | 52% | 0.523 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 136.1 | 171.4 | -71.8 | -163.5 | 158 | 0 | 0 | 111.4 | R439 | E373-R439 IonicContact OE1-CZ 2.71Å; E373-R439 IonicContact OE1-NH1 3.26Å; E373-R439 PolarHBondContact OE1-NH1 2.58Å; E373-R439 IonicContact OE1-NH2 3.48Å; E373-R439 PolarHBondContact OE1-NH2 3.18Å |
| 374 | L | 67.8 | Low | 77 | Confident | 43 Ų | 43 | 72.3 Ų | 72.3 | 23% | 0.225 | 37% | 0.369 | C | S | . | . | trans | -106 | 154.6 | -178.5 | -67.7 | 136 | 0 | 0 | 0 | 108.3 | R439 F441 N563 | L374-R439 HydrophobicContact CD1-CB 3.75Å; L374-R439 HydrophobicContact CD1-CG 4.36Å; L374-F441 HydrophobicContact CB-CE1 3.84Å; L374-F441 HydrophobicContact CD1-CE1 3.65Å; L374-F441 HydrophobicContact CD1-CZ 3.96Å; L374-F441 HydrophobicContact CD2-CE1 4.38Å; L374-F441 HydrophobicContact CD2-CZ 4.46Å; L374-F441 HydrophobicContact CG-CE1 4.14Å; L374-N563 PolarHBondContact O-ND2 2.99Å; L374-N563 PolarHBondContact O-OD1 3.12Å | ||
| 375 | S | 67.5 | Low | 77 | Confident | 73 Ų | 73 | 73.7 Ų | 73.7 | 51% | 0.51 | 38% | 0.379 | S | S | . | . | trans | -65.4 | 152.4 | 174.2 | 57.5 | 0 | 0 | 0 | 0 | 110.7 | E377 S378 | S375-E377 PolarHBondContact O-N 2.83Å; S375-E377 VanDerWaalsContact O-N 3.13Å; S375-S378 WeakPolarHBondContact O-CB 3.01Å; S375-S378 PolarHBondContact O-N 2.73Å; S375-S378 PolarHBondContact OG-N 3.34Å | ||
| 376 | I | 61.2 | Low | 76.9 | Confident | 135 Ų | 135 | 74.6 Ų | 74.6 | 69% | 0.692 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -25.2 | 175.1 | -61.3 | 171.3 | 0 | 0 | 0 | 111.2 | N443 | I376-N443 PolarHBondContact O-ND2 3.32Š|
| 377 | E | 61.8 | Low | 76.9 | Confident | 161 Ų | 161 | 74.8 Ų | 74.8 | 75% | 0.752 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -7.3 | 177.6 | -60.3 | 174.7 | 173.9 | 0 | 0 | 113.6 | S375 K379 | S375-E377 PolarHBondContact O-N 2.83Å; S375-E377 VanDerWaalsContact O-N 3.13Å; E377-K379 PolarHBondContact O-N 2.64Å |
| 378 | S | 61.3 | Low | 76.9 | Confident | 16 Ų | 16 | 73.9 Ų | 73.9 | 11% | 0.112 | 38% | 0.382 | C | S | . | . | trans | -63.6 | 131.5 | -176 | -174.4 | 0 | 0 | 0 | 0 | 112.1 | S375 | S375-S378 WeakPolarHBondContact O-CB 3.01Å; S375-S378 PolarHBondContact O-N 2.73Å; S375-S378 PolarHBondContact OG-N 3.34Å | ||
| 379 | K | 62 | Low | 77.1 | Confident | 146 Ų | 146 | 70.1 Ų | 70.1 | 64% | 0.635 | 36% | 0.362 | S | S | * | . | trans | -111.6 | 6.7 | 177.7 | -58.7 | -161.4 | 173.9 | -132.9 | 0 | 113.6 | E377 D445 | E377-K379 PolarHBondContact O-N 2.64Å; K379-D445 IonicContact NZ-OD2 3.18Å; K379-D445 PolarHBondContact NZ-OD2 3.48Å | ||
| 380 | T | 64.8 | Low | 77 | Confident | 103 Ų | 103 | 63.9 Ų | 63.9 | 63% | 0.632 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -135.2 | 118.2 | -169.5 | 54 | 0 | 0 | 0 | 0 | 111.7 | G382 F441 | T380-G382 PolarHBondContact O-N 3.29Å; T380-F441 VanDerWaalsContact O-CZ 3.32Å; T380-F441 WeakPolarHBondContact O-CZ 3.38Å |
| 381 | Y | 69.4 | Low | 76.6 | Confident | 63 Ų | 63 | 63.9 Ų | 63.9 | 25% | 0.247 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 131.3 | -176.6 | -80.2 | -74 | 0 | 0 | 0 | 113.4 | Q283 R438 F441 | Q283-Y381 PolarHBondContact NE2-OH 2.92Å; Y381-R438 HydrophobicContact CD1-CG 4.44Å; Y381-R438 VanDerWaalsContact CD1-NE 3.27Å; Y381-F441 AromaticContact CD1-CD2 3.82Å; Y381-F441 HydrophobicContact CD1-CD2 3.82Å; Y381-F441 AromaticContact CD1-CE2 3.39Å; Y381-F441 HydrophobicContact CD1-CE2 3.39Å; Y381-F441 HydrophobicContact CD1-CZ 4.2Å; Y381-F441 HydrophobicContact CD2-CD2 4.43Å; Y381-F441 HydrophobicContact CD2-CE2 4.02Å; Y381-F441 AromaticContact CE1-CD2 3.53Å; Y381-F441 HydrophobicContact CE1-CD2 3.53Å; Y381-F441 AromaticContact CE1-CE2 3.65Å; Y381-F441 HydrophobicContact CE1-CE2 3.65Å; Y381-F441 HydrophobicContact CE1-CG 4.48Å; Y381-F441 HydrophobicContact CE2-CD2 4.18Å; Y381-F441 HydrophobicContact CE2-CE2 4.23Å; Y381-F441 HydrophobicContact CG-CD2 4.26Å; Y381-F441 AromaticContact CG-CE2 3.6Å; Y381-F441 HydrophobicContact CG-CE2 3.6Å; Y381-F441 HydrophobicContact CG-CZ 4.48Å; Y381-F441 AromaticContact CZ-CD2 3.72Å |
| 382 | G | 73.1 | Confident | 76.1 | Confident | 29 Ų | 29 | 63.4 Ų | 63.4 | 30% | 0.299 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -63 | 161.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T380 | T380-G382 PolarHBondContact O-N 3.29Š|
| 383 | K | 81.6 | Confident | 75.6 | Confident | 191 Ų | 191 | 58.3 Ų | 58.3 | 83% | 0.83 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 150.6 | 174.9 | -64.8 | -175.9 | 179 | -177.9 | 0 | 110.7 | ||
| 384 | F | 82 | Confident | 75.1 | Confident | 55 Ų | 55 | 53.9 Ų | 53.9 | 24% | 0.241 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 149.4 | 166.8 | -74 | -85.5 | 0 | 0 | 0 | 110.7 | Q436 I437 R438 | F384-Q436 HydrophobicContact CB-CB 4.44Å; F384-Q436 HydrophobicContact CD1-CB 4.03Å; F384-Q436 HydrophobicContact CG-CB 4.46Å; F384-I437 CarbonylContact C-O 3.57Å; F384-I437 VanDerWaalsContact CA-O 3.28Å; F384-I437 WeakPolarHBondContact CA-O 3.02Å; F384-I437 VanDerWaalsContact CD1-C 3.49Å; F384-R438 HydrophobicContact CD1-CB 3.92Å; F384-R438 HydrophobicContact CD1-CG 4.02Å; F384-R438 HydrophobicContact CE1-CB 4.04Å; F384-R438 HydrophobicContact CE1-CG 3.59Å; F384-R438 HydrophobicContact CE2-CG 4.4Å; F384-R438 HydrophobicContact CG-CB 4.3Å; F384-R438 VanDerWaalsContact CZ-CD 3.41Å; F384-R438 HydrophobicContact CZ-CG 3.8Å |
| 385 | S | 87.1 | Confident | 74.9 | Confident | 28 Ų | 28 | 53.3 Ų | 53.3 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 147 | 174.7 | -53.6 | 0 | 0 | 0 | 0 | 109.2 | I437 | S385-I437 PolarHBondContact N-O 3.13Å; S385-I437 WeakPolarHBondContact O-CG1 3.19Å; S385-I437 PolarHBondContact O-N 3.27Å |
| 386 | P | 88.5 | Confident | 74.8 | Confident | 20 Ų | 20 | 51.8 Ų | 51.8 | 13% | 0.13 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 140.2 | -178.1 | 30.3 | -29.3 | 0 | 0 | 0 | 112 | W388 W410 I435 | P386-W388 HydrophobicContact CB-CE3 4.45Å; P386-W388 HydrophobicContact CB-CH2 3.44Å; P386-W388 VanDerWaalsContact CB-CH2 3.44Å; P386-W388 HydrophobicContact CB-CZ2 3.6Å; P386-W388 HydrophobicContact CB-CZ3 3.9Å; P386-W388 HydrophobicContact CG-CH2 3.29Å; P386-W388 HydrophobicContact CG-CZ2 3.89Å; P386-W388 HydrophobicContact CG-CZ3 3.83Å; P386-W410 HydrophobicContact CB-CH2 3.52Å; P386-W410 HydrophobicContact CB-CZ3 3.59Å; P386-W410 HydrophobicContact CG-CE3 4.18Å; P386-W410 HydrophobicContact CG-CH2 3.54Å; P386-W410 HydrophobicContact CG-CZ2 4.2Å; P386-W410 HydrophobicContact CG-CZ3 3.58Å; P386-I435 WeakPolarHBondContact CA-O 3.05Å |
| 387 | I | 91.7 | Very high | 75.1 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 136.3 | 154.5 | -62.2 | -167.1 | 0 | 0 | 0 | 107.3 | I278 L365 V366 L370 I435 I437 | I278-I387 HydrophobicContact CD1-CD1 3.89Å; L365-I387 HydrophobicContact CB-CG2 4.1Å; L365-I387 HydrophobicContact CD2-CG2 4.34Å; V366-I387 WeakPolarHBondContact O-CA 3.21Å; L370-I387 HydrophobicContact CD2-CD1 4.17Å; I387-I435 PolarHBondContact N-O 3.04Å; I387-I435 PolarHBondContact O-N 2.05Å; I387-I437 HydrophobicContact CD1-CD1 3.43Å; I387-I437 VanDerWaalsContact CD1-CD1 3.43Å; I387-I437 HydrophobicContact CD1-CG1 4.14Å; I387-I437 HydrophobicContact CG1-CD1 3.84Å; I387-I437 HydrophobicContact CG1-CG1 4.03Å |
| 388 | W | 91.4 | Very high | 75.5 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 140.6 | 169.9 | -62.6 | -87.2 | 0 | 0 | 0 | 110.6 | L365 V366 P386 I403 R406 I407 L432 Y433 E434 | L365-W388 WeakPolarHBondContact CA-O 3.21Å; V366-W388 HydrophobicContact CB-CB 4.5Å; V366-W388 PolarHBondContact N-O 3.27Å; V366-W388 PolarHBondContact O-N 2.85Å; P386-W388 HydrophobicContact CB-CE3 4.45Å; P386-W388 HydrophobicContact CB-CH2 3.44Å; P386-W388 VanDerWaalsContact CB-CH2 3.44Å; P386-W388 HydrophobicContact CB-CZ2 3.6Å; P386-W388 HydrophobicContact CB-CZ3 3.9Å; P386-W388 HydrophobicContact CG-CH2 3.29Å; P386-W388 HydrophobicContact CG-CZ2 3.89Å; P386-W388 HydrophobicContact CG-CZ3 3.83Å; W388-I403 HydrophobicContact CB-CD1 4.03Å; W388-I403 HydrophobicContact CB-CG1 4.35Å; W388-I403 HydrophobicContact CD2-CB 4.45Å; W388-I403 HydrophobicContact CD2-CD1 4.38Å; W388-I403 HydrophobicContact CD2-CG1 3.94Å; W388-I403 HydrophobicContact CD2-CG2 3.9Å; W388-I403 HydrophobicContact CE3-CG1 4.36Å; W388-I403 HydrophobicContact CE3-CG2 3.54Å; W388-I403 HydrophobicContact CG-CD1 4.13Å; W388-I403 HydrophobicContact CG-CG1 3.91Å; W388-I403 HydrophobicContact CH2-CG2 4.06Å; W388-I403 HydrophobicContact CZ2-CG2 4.38Å; W388-I403 HydrophobicContact CZ3-CG2 3.63Å; W388-R406 HydrophobicContact CZ2-CB 4.23Å; W388-I407 HydrophobicContact CH2-CD1 3.92Å; W388-I407 HydrophobicContact CH2-CG1 3.46Å; W388-I407 VanDerWaalsContact CH2-CG1 3.46Å; W388-I407 HydrophobicContact CZ2-CG1 4.37Å; W388-I407 HydrophobicContact CZ3-CD1 3.99Å; W388-I407 HydrophobicContact CZ3-CG1 4.05Å; W388-L432 HydrophobicContact CB-CD1 4.29Å; W388-Y433 CarbonylContact C-O 3.56Å; W388-Y433 WeakPolarHBondContact CA-O 3.16Å; W388-E434 PolarHBondContact NE1-OE2 2.89Å |
| 389 | I | 90.6 | Very high | 76 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 125.1 | 170.5 | -51.3 | -160.9 | 0 | 0 | 0 | 108.7 | W317 F327 Y363 Q364 L365 L432 Y433 I435 | W317-I389 HydrophobicContact CH2-CD1 3.67Å; W317-I389 HydrophobicContact CZ2-CD1 3.83Å; W317-I389 HydrophobicContact CZ3-CD1 4.39Å; F327-I389 HydrophobicContact CE1-CD1 3.61Å; F327-I389 HydrophobicContact CE1-CG2 4.14Å; F327-I389 HydrophobicContact CZ-CD1 3.49Å; F327-I389 VanDerWaalsContact CZ-CD1 3.49Å; Y363-I389 HydrophobicContact CD1-CG2 3.6Å; Y363-I389 HydrophobicContact CE1-CG2 4.45Å; Y363-I389 HydrophobicContact CG-CG2 4.25Å; Q364-I389 WeakPolarHBondContact O-CA 3.48Å; L365-I389 HydrophobicContact CD2-CB 4.43Å; L365-I389 HydrophobicContact CD2-CD1 3.81Å; L365-I389 HydrophobicContact CD2-CG1 3.67Å; L365-I389 HydrophobicContact CD2-CG2 4.43Å; I389-L432 WeakPolarHBondContact O-CA 3.36Å; I389-Y433 PolarHBondContact N-O 3.08Å; I389-Y433 PolarHBondContact O-N 3.29Å; I389-I435 HydrophobicContact CD1-CD1 3.46Å; I389-I435 VanDerWaalsContact CD1-CD1 3.46Å; I389-I435 HydrophobicContact CG1-CD1 3.79Å; I389-I435 HydrophobicContact CG1-CG1 4.37Å |
| 390 | I | 85.6 | Confident | 76.7 | Confident | 7 Ų | 7 | 37.3 Ų | 37.3 | 4% | 0.036 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 134.2 | 169.9 | -39.4 | 177.6 | 0 | 0 | 0 | 107.7 | Y363 Q364 V366 Q394 I399 V430 L432 | Y363-I390 WeakPolarHBondContact CA-O 3.35Å; Q364-I390 HydrophobicContact CB-CB 4.17Å; Q364-I390 HydrophobicContact CB-CD1 4.4Å; Q364-I390 HydrophobicContact CB-CG1 4.36Å; Q364-I390 PolarHBondContact N-O 3.18Å; Q364-I390 PolarHBondContact O-N 2.95Å; V366-I390 HydrophobicContact CG2-CD1 3.85Å; V366-I390 HydrophobicContact CG2-CG1 4.26Å; I390-Q394 HydrophobicContact CG2-CB 4.35Å; I390-Q394 HydrophobicContact CG2-CG 4.49Å; I390-I399 HydrophobicContact CD1-CG2 3.91Å; I390-V430 HydrophobicContact CG2-CG1 3.99Å; I390-L432 HydrophobicContact CG1-CD1 3.88Å |
| 391 | Y | 78.6 | Confident | 77.2 | Confident | 36 Ų | 36 | 38.1 Ų | 38.1 | 14% | 0.141 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 130.1 | 171.5 | -173.8 | -82.4 | 0 | 0 | 0 | 110.7 | E361 Y363 K431 | E361-Y391 HydrophobicContact CG-CE2 4.34Å; E361-Y391 WeakPolarHBondContact OE1-CE2 3.48Å; Y363-Y391 HydrophobicContact CD1-CD2 4.22Å; Y363-Y391 AromaticContact CE1-CD2 3.45Å; Y363-Y391 HydrophobicContact CE1-CD2 3.45Å; Y363-Y391 VanDerWaalsContact CE1-CD2 3.45Å; Y363-Y391 HydrophobicContact CE1-CE2 4.12Å; Y363-Y391 HydrophobicContact CE1-CG 4.25Å; Y363-Y391 AromaticContact CZ-CD2 3.63Å; Y363-Y391 AromaticContact CZ-CE2 3.81Å; Y363-Y391 WeakPolarHBondContact OH-CE2 3.39Å; Y391-K431 PolarHBondContact N-O 3.41Å |
| 392 | G | 72.5 | Confident | 77.6 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 73.6 | -159 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F362 Y363 Q364 | F362-G392 VanDerWaalsContact O-CA 3.24Å; F362-G392 WeakPolarHBondContact O-CA 3.32Å; F362-G392 PolarHBondContact O-N 3.42Å; Y363-G392 CarbonylContact C-O 3.56Å; Q364-G392 WeakPolarHBondContact CG-O 3Å; Q364-G392 PolarHBondContact N-O 3.1Å; Q364-G392 VanDerWaalsContact N-O 3.1Å |
| 393 | L | 72.1 | Confident | 77.9 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | trans | -114.8 | 97 | 173.7 | 174.7 | 98 | 0 | 0 | 0 | 108.3 | T43 V231 K260 I262 W341 L350 Q364 | T43-L393 HydrophobicContact CG2-CB 3.63Å; T43-L393 HydrophobicContact CG2-CD2 4.31Å; T43-L393 WeakPolarHBondContact OG1-CA 3.38Å; T43-L393 PolarHBondContact OG1-N 2.75Å; T43-L393 PolarHBondContact OG1-O 3.27Å; V231-L393 HydrophobicContact CG1-CD1 3.99Å; V231-L393 HydrophobicContact CG1-CD2 4.25Å; K260-L393 HydrophobicContact CB-CD2 3.49Å; K260-L393 VanDerWaalsContact CB-CD2 3.49Å; K260-L393 HydrophobicContact CB-CG 3.96Å; I262-L393 HydrophobicContact CD1-CB 3.96Å; I262-L393 HydrophobicContact CD1-CD1 4.29Å; I262-L393 HydrophobicContact CD1-CD2 3.72Å; I262-L393 HydrophobicContact CD1-CG 4.21Å; I262-L393 HydrophobicContact CG1-CD1 4.42Å; I262-L393 HydrophobicContact CG1-CD2 3.76Å; W341-L393 HydrophobicContact CH2-CD1 3.55Å; W341-L393 HydrophobicContact CZ2-CD1 4.3Å; W341-L393 HydrophobicContact CZ3-CD1 4.23Å; L350-L393 HydrophobicContact CD1-CB 4.13Å; L350-L393 HydrophobicContact CD1-CD1 3.94Å; L350-L393 HydrophobicContact CD2-CD1 4.22Å; Q364-L393 HydrophobicContact CG-CD1 4.45Å | ||
| 394 | Q | 66.8 | Low | 77.8 | Confident | 20 Ų | 20 | 28.5 Ų | 28.5 | 9% | 0.093 | 15% | 0.149 | C | C | . | . | trans | -107.2 | 161.9 | 178.6 | -66.3 | -162.5 | -36.1 | 0 | 0 | 112.8 | D44 Q364 I390 | D44-Q394 PolarHBondContact OD1-NE2 2.93Å; Q364-Q394 VanDerWaalsContact CD-N 3.34Å; Q364-Q394 PolarHBondContact NE2-O 2.76Å; Q364-Q394 PolarHBondContact OE1-O 3.3Å; I390-Q394 HydrophobicContact CG2-CB 4.35Å; I390-Q394 HydrophobicContact CG2-CG 4.49Å | ||
| 395 | S | 62.3 | Low | 77.5 | Confident | 30 Ų | 30 | 29.5 Ų | 29.5 | 21% | 0.21 | 16% | 0.157 | C | C | . | . | trans | -140 | 61.1 | -178 | -170.2 | 0 | 0 | 0 | 0 | 108.8 | S258 K260 | S258-S395 WeakPolarHBondContact O-CB 3.3Å; S258-S395 PolarHBondContact O-OG 3.36Å; S258-S395 VanDerWaalsContact O-OG 3.12Å; K260-S395 WeakPolarHBondContact CE-OG 3.44Å | ||
| 396 | N | 65.7 | Low | 77 | Confident | 41 Ų | 41 | 30.3 Ų | 30.3 | 22% | 0.219 | 16% | 0.156 | C | C | . | . | trans | -109.9 | 110.8 | -175.8 | -175.4 | -15.2 | 0 | 0 | 0 | 109.7 | I398 I399 E400 | N396-I398 PolarHBondContact O-N 3.49Å; N396-I398 VanDerWaalsContact O-N 3.12Å; N396-I398 VanDerWaalsContact OD1-CB 3.22Å; N396-I398 WeakPolarHBondContact OD1-CB 3.47Å; N396-I398 WeakPolarHBondContact OD1-CG1 3.3Å; N396-I398 PolarHBondContact OD1-N 2.86Å; N396-I399 HydrophobicContact CB-CB 4.35Å; N396-I399 HydrophobicContact CB-CD1 3.91Å; N396-I399 HydrophobicContact CB-CG1 3.96Å; N396-I399 PolarHBondContact O-N 3.48Å; N396-E400 PolarHBondContact O-N 3.42Å | ||
| 397 | P | 68.5 | Low | 76.3 | Confident | 55 Ų | 55 | 30.8 Ų | 30.8 | 36% | 0.357 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -62.7 | -21.4 | -178.3 | 25.8 | -34.5 | 0 | 0 | 0 | 112.8 | Q401 | P397-Q401 WeakPolarHBondContact O-CB 3.48Å; P397-Q401 VanDerWaalsContact O-CG 3.27Å; P397-Q401 WeakPolarHBondContact O-CG 3.41Å; P397-Q401 PolarHBondContact O-N 2.03Å |
| 398 | I | 70.1 | Confident | 75.1 | Confident | 70 Ų | 70 | 39.1 Ų | 39.1 | 36% | 0.359 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.9 | -40.3 | 172.3 | -55.2 | 175.6 | 0 | 0 | 0 | 110.6 | N396 Q401 I402 I424 | N396-I398 PolarHBondContact O-N 3.49Å; N396-I398 VanDerWaalsContact O-N 3.12Å; N396-I398 VanDerWaalsContact OD1-CB 3.22Å; N396-I398 WeakPolarHBondContact OD1-CB 3.47Å; N396-I398 WeakPolarHBondContact OD1-CG1 3.3Å; N396-I398 PolarHBondContact OD1-N 2.86Å; I398-Q401 PolarHBondContact O-N 2.77Å; I398-I402 HydrophobicContact CG2-CD1 4Å; I398-I402 VanDerWaalsContact O-CG1 3.25Å; I398-I402 WeakPolarHBondContact O-CG1 3.02Å; I398-I402 PolarHBondContact O-N 2.77Å; I398-I424 HydrophobicContact CD1-CG2 4.25Å; I398-I424 HydrophobicContact CG2-CG2 3.74Å |
| 399 | I | 72.1 | Confident | 73.7 | Confident | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.5 | -43.1 | 178.5 | -61.9 | 178 | 0 | 0 | 0 | 109.9 | I390 N396 Q401 I402 I403 V430 L432 | I390-I399 HydrophobicContact CD1-CG2 3.91Å; N396-I399 HydrophobicContact CB-CB 4.35Å; N396-I399 HydrophobicContact CB-CD1 3.91Å; N396-I399 HydrophobicContact CB-CG1 3.96Å; N396-I399 PolarHBondContact O-N 3.48Å; I399-Q401 VanDerWaalsContact C-N 3.33Å; I399-Q401 PolarHBondContact O-N 2.79Å; I399-I402 PolarHBondContact O-N 3.26Å; I399-I402 VanDerWaalsContact O-N 3.14Å; I399-I403 HydrophobicContact CG2-CD1 4.02Å; I399-I403 WeakPolarHBondContact O-CG1 3.49Å; I399-I403 PolarHBondContact O-N 3.16Å; I399-V430 HydrophobicContact CD1-CB 4.44Å; I399-V430 HydrophobicContact CD1-CG1 3.83Å; I399-V430 HydrophobicContact CD1-CG2 4.35Å; I399-L432 HydrophobicContact CG2-CD1 4.07Å; I399-L432 HydrophobicContact CG2-CD2 4.15Å |
| 400 | E | 75.9 | Confident | 72 | Confident | 24 Ų | 24 | 45.2 Ų | 45.2 | 11% | 0.112 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.7 | -44.3 | 174 | -58.9 | -159.8 | 164 | 0 | 0 | 111.1 | N344 Y348 N396 I402 I403 I404 | N344-E400 PolarHBondContact ND2-OE2 2.94Å; Y348-E400 PolarHBondContact OH-OE1 3.19Å; N396-E400 PolarHBondContact O-N 3.42Å; E400-I402 PolarHBondContact O-N 2.79Å; E400-I403 PolarHBondContact O-N 2.88Å; E400-I404 HydrophobicContact CB-CD1 4.49Å; E400-I404 WeakPolarHBondContact O-CB 3.07Å; E400-I404 WeakPolarHBondContact O-CD1 3.42Å; E400-I404 WeakPolarHBondContact O-CG1 3.02Å; E400-I404 PolarHBondContact O-N 2.94Å |
| 401 | Q | 76 | Confident | 70 | Confident | 120 Ų | 120 | 52.2 Ų | 52.2 | 56% | 0.561 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -61.8 | -38.7 | 173.4 | -76.4 | -179.6 | 10.6 | 0 | 0 | 112.8 | P397 I398 I399 N405 | P397-Q401 WeakPolarHBondContact O-CB 3.48Å; P397-Q401 VanDerWaalsContact O-CG 3.27Å; P397-Q401 WeakPolarHBondContact O-CG 3.41Å; P397-Q401 PolarHBondContact O-N 2.03Å; I398-Q401 PolarHBondContact O-N 2.77Å; I399-Q401 VanDerWaalsContact C-N 3.33Å; I399-Q401 PolarHBondContact O-N 2.79Å; Q401-N405 VanDerWaalsContact O-CB 3.26Å; Q401-N405 WeakPolarHBondContact O-CB 3.42Å; Q401-N405 VanDerWaalsContact O-CG 3.31Å; Q401-N405 PolarHBondContact O-N 3.38Å; Q401-N405 PolarHBondContact O-ND2 2.71Å |
| 402 | I | 77.9 | Confident | 68.2 | Low | 32 Ų | 32 | 53.7 Ų | 53.7 | 16% | 0.164 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 176.3 | -73.8 | 164 | 0 | 0 | 0 | 110.6 | I398 I399 E400 R406 L425 L432 | I398-I402 HydrophobicContact CG2-CD1 4Å; I398-I402 VanDerWaalsContact O-CG1 3.25Å; I398-I402 WeakPolarHBondContact O-CG1 3.02Å; I398-I402 PolarHBondContact O-N 2.77Å; I399-I402 PolarHBondContact O-N 3.26Å; I399-I402 VanDerWaalsContact O-N 3.14Å; E400-I402 PolarHBondContact O-N 2.79Å; I402-R406 WeakPolarHBondContact O-CG 3.03Å; I402-R406 PolarHBondContact O-N 2.79Å; I402-R406 VanDerWaalsContact O-N 3.07Å; I402-L425 HydrophobicContact CD1-CD1 4.06Å; I402-L425 HydrophobicContact CD1-CD2 4.33Å; I402-L425 HydrophobicContact CD1-CG 3.92Å; I402-L432 HydrophobicContact CG2-CD2 4.32Å |
| 403 | I | 79.5 | Confident | 66.4 | Low | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.6 | -50.8 | 176.7 | -69.4 | 170.7 | 0 | 0 | 0 | 110.7 | L346 V366 W388 I399 E400 N405 R406 I407 | L346-I403 HydrophobicContact CD1-CB 4.39Å; L346-I403 HydrophobicContact CD1-CG2 3.76Å; L346-I403 HydrophobicContact CD2-CG2 3.97Å; V366-I403 HydrophobicContact CB-CD1 4.29Å; V366-I403 HydrophobicContact CG1-CD1 4.16Å; W388-I403 HydrophobicContact CB-CD1 4.03Å; W388-I403 HydrophobicContact CB-CG1 4.35Å; W388-I403 HydrophobicContact CD2-CB 4.45Å; W388-I403 HydrophobicContact CD2-CD1 4.38Å; W388-I403 HydrophobicContact CD2-CG1 3.94Å; W388-I403 HydrophobicContact CD2-CG2 3.9Å; W388-I403 HydrophobicContact CE3-CG1 4.36Å; W388-I403 HydrophobicContact CE3-CG2 3.54Å; W388-I403 HydrophobicContact CG-CD1 4.13Å; W388-I403 HydrophobicContact CG-CG1 3.91Å; W388-I403 HydrophobicContact CH2-CG2 4.06Å; W388-I403 HydrophobicContact CZ2-CG2 4.38Å; W388-I403 HydrophobicContact CZ3-CG2 3.63Å; I399-I403 HydrophobicContact CG2-CD1 4.02Å; I399-I403 WeakPolarHBondContact O-CG1 3.49Å; I399-I403 PolarHBondContact O-N 3.16Å; E400-I403 PolarHBondContact O-N 2.88Å; I403-N405 PolarHBondContact O-N 2.85Å; I403-R406 PolarHBondContact O-N 3.04Å; I403-R406 VanDerWaalsContact O-N 3.17Å; I403-I407 HydrophobicContact CG2-CD1 3.85Å; I403-I407 WeakPolarHBondContact O-CG1 3.32Å; I403-I407 PolarHBondContact O-N 2.79Å |
| 404 | I | 77.8 | Confident | 64.5 | Low | 48 Ų | 48 | 69.8 Ų | 69.8 | 25% | 0.246 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 180 | -69.7 | 165.3 | 0 | 0 | 0 | 111.4 | N344 L346 E400 I407 Y408 | N344-I404 HydrophobicContact CB-CD1 4.32Å; L346-I404 HydrophobicContact CD1-CD1 4.49Å; L346-I404 HydrophobicContact CD1-CG1 4.12Å; E400-I404 HydrophobicContact CB-CD1 4.49Å; E400-I404 WeakPolarHBondContact O-CB 3.07Å; E400-I404 WeakPolarHBondContact O-CD1 3.42Å; E400-I404 WeakPolarHBondContact O-CG1 3.02Å; E400-I404 PolarHBondContact O-N 2.94Å; I404-I407 PolarHBondContact O-N 3.23Å; I404-Y408 HydrophobicContact CG2-CD2 3.89Å; I404-Y408 HydrophobicContact CG2-CE2 3.5Å; I404-Y408 VanDerWaalsContact CG2-CE2 3.5Å; I404-Y408 WeakPolarHBondContact O-CD2 3.33Å; I404-Y408 PolarHBondContact O-N 2.04Å |
| 405 | N | 76 | Confident | 63 | Low | 76 Ų | 76 | 77.4 Ų | 77.4 | 41% | 0.406 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 175 | -80.4 | -65.5 | 0 | 0 | 0 | 111.5 | Q401 I403 I407 Y408 T409 | Q401-N405 VanDerWaalsContact O-CB 3.26Å; Q401-N405 WeakPolarHBondContact O-CB 3.42Å; Q401-N405 VanDerWaalsContact O-CG 3.31Å; Q401-N405 PolarHBondContact O-N 3.38Å; Q401-N405 PolarHBondContact O-ND2 2.71Å; I403-N405 PolarHBondContact O-N 2.85Å; N405-I407 VanDerWaalsContact C-N 3.32Å; N405-I407 PolarHBondContact O-N 2.84Å; N405-Y408 PolarHBondContact O-N 3.05Å; N405-T409 WeakPolarHBondContact O-CG2 3.35Å; N405-T409 PolarHBondContact O-N 3.3Å; N405-T409 VanDerWaalsContact O-N 3.1Å; N405-T409 PolarHBondContact O-OG1 2.93Å |
| 406 | R | 76.8 | Confident | 61.8 | Low | 44 Ų | 44 | 82.2 Ų | 82.2 | 17% | 0.166 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 178.3 | -75.4 | 174.8 | 109.2 | 95.3 | 1.8 | 112.1 | L290 W388 I402 I403 T409 W410 E434 | L290-R406 VanDerWaalsContact CD2-NH2 3.3Å; W388-R406 HydrophobicContact CZ2-CB 4.23Å; I402-R406 WeakPolarHBondContact O-CG 3.03Å; I402-R406 PolarHBondContact O-N 2.79Å; I402-R406 VanDerWaalsContact O-N 3.07Å; I403-R406 PolarHBondContact O-N 3.04Å; I403-R406 VanDerWaalsContact O-N 3.17Å; R406-T409 WeakPolarHBondContact CA-OG1 3.26Å; R406-T409 PolarHBondContact O-N 3.47Å; R406-T409 PolarHBondContact O-OG1 3.26Å; R406-W410 PolarHBondContact O-N 2.61Å; R406-E434 IonicContact CZ-OE2 3.12Å; R406-E434 IonicContact NE-OE2 2.67Å; R406-E434 PolarHBondContact NE-OE2 3.3Å; R406-E434 IonicContact NH2-OE2 2.69Å; R406-E434 PolarHBondContact NH2-OE2 2.83Å |
| 407 | I | 73.5 | Confident | 60.5 | Low | 30 Ų | 30 | 87.2 Ų | 87.2 | 15% | 0.154 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -56.7 | -49.9 | 174.7 | -72.5 | 164.7 | 0 | 0 | 0 | 111.4 | L346 L368 W388 I403 I404 N405 T409 W410 | L346-I407 HydrophobicContact CD2-CD1 3.47Å; L346-I407 VanDerWaalsContact CD2-CD1 3.47Å; L368-I407 HydrophobicContact CB-CD1 4.13Å; L368-I407 HydrophobicContact CD2-CG2 3.9Å; W388-I407 HydrophobicContact CH2-CD1 3.92Å; W388-I407 HydrophobicContact CH2-CG1 3.46Å; W388-I407 VanDerWaalsContact CH2-CG1 3.46Å; W388-I407 HydrophobicContact CZ2-CG1 4.37Å; W388-I407 HydrophobicContact CZ3-CD1 3.99Å; W388-I407 HydrophobicContact CZ3-CG1 4.05Å; I403-I407 HydrophobicContact CG2-CD1 3.85Å; I403-I407 WeakPolarHBondContact O-CG1 3.32Å; I403-I407 PolarHBondContact O-N 2.79Å; I404-I407 PolarHBondContact O-N 3.23Å; N405-I407 VanDerWaalsContact C-N 3.32Å; N405-I407 PolarHBondContact O-N 2.84Å; I407-T409 VanDerWaalsContact C-N 3.33Å; I407-T409 PolarHBondContact O-N 2.86Å; I407-W410 WeakPolarHBondContact O-CB 3.4Å; I407-W410 PolarHBondContact O-N 2.03Å |
| 408 | Y | 66.5 | Low | 59.3 | Low | 179 Ų | 179 | 85.6 Ų | 85.6 | 70% | 0.702 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -67.7 | -32.8 | -179.3 | -71.4 | -58.4 | 0 | 0 | 0 | 113.1 | I404 N405 W410 | I404-Y408 HydrophobicContact CG2-CD2 3.89Å; I404-Y408 HydrophobicContact CG2-CE2 3.5Å; I404-Y408 VanDerWaalsContact CG2-CE2 3.5Å; I404-Y408 WeakPolarHBondContact O-CD2 3.33Å; I404-Y408 PolarHBondContact O-N 2.04Å; N405-Y408 PolarHBondContact O-N 3.05Å; Y408-W410 VanDerWaalsContact C-N 3.26Å; Y408-W410 PolarHBondContact O-N 2.92Å |
| 409 | T | 62.4 | Low | 58.1 | Low | 34 Ų | 34 | 90.6 Ų | 90.6 | 21% | 0.209 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -76.7 | -9.2 | 177.9 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | N405 R406 I407 N411 S412 Y416 | N405-T409 WeakPolarHBondContact O-CG2 3.35Å; N405-T409 PolarHBondContact O-N 3.3Å; N405-T409 VanDerWaalsContact O-N 3.1Å; N405-T409 PolarHBondContact O-OG1 2.93Å; R406-T409 WeakPolarHBondContact CA-OG1 3.26Å; R406-T409 PolarHBondContact O-N 3.47Å; R406-T409 PolarHBondContact O-OG1 3.26Å; I407-T409 VanDerWaalsContact C-N 3.33Å; I407-T409 PolarHBondContact O-N 2.86Å; T409-N411 PolarHBondContact O-N 2.85Å; T409-S412 PolarHBondContact O-N 3.45Å; T409-S412 VanDerWaalsContact O-N 3.1Å; T409-S412 PolarHBondContact O-OG 3.27Å; T409-Y416 HydrophobicContact CG2-CD2 4.21Å; T409-Y416 HydrophobicContact CG2-CE2 3.4Å; T409-Y416 VanDerWaalsContact CG2-CE2 3.4Å |
| 410 | W | 54.5 | Low | 56.6 | Low | 93 Ų | 93 | 97.5 Ų | 97.5 | 35% | 0.352 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -28.9 | -173.5 | -167.4 | -88.5 | 0 | 0 | 0 | 114.7 | P386 R406 I407 Y408 S412 | P386-W410 HydrophobicContact CB-CH2 3.52Å; P386-W410 HydrophobicContact CB-CZ3 3.59Å; P386-W410 HydrophobicContact CG-CE3 4.18Å; P386-W410 HydrophobicContact CG-CH2 3.54Å; P386-W410 HydrophobicContact CG-CZ2 4.2Å; P386-W410 HydrophobicContact CG-CZ3 3.58Å; R406-W410 PolarHBondContact O-N 2.61Å; I407-W410 WeakPolarHBondContact O-CB 3.4Å; I407-W410 PolarHBondContact O-N 2.03Å; Y408-W410 VanDerWaalsContact C-N 3.26Å; Y408-W410 PolarHBondContact O-N 2.92Å; W410-S412 VanDerWaalsContact C-N 3.26Å; W410-S412 PolarHBondContact O-N 3.22Å |
| 411 | N | 44.7 | Very low | 55.1 | Low | 154 Ų | 154 | 102.7 Ų | 102.7 | 82% | 0.824 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -11.6 | -179.3 | -70.2 | -31.9 | 0 | 0 | 0 | 113.3 | T409 | T409-N411 PolarHBondContact O-N 2.85Š|
| 412 | S | 39.5 | Very low | 53.9 | Low | 67 Ų | 67 | 97.6 Ų | 97.6 | 47% | 0.469 | 47% | 0.468 | S | S | . | . | trans | -103.5 | 109.2 | 171.3 | 48.3 | 0 | 0 | 0 | 0 | 110.3 | T409 W410 E414 | T409-S412 PolarHBondContact O-N 3.45Å; T409-S412 VanDerWaalsContact O-N 3.1Å; T409-S412 PolarHBondContact O-OG 3.27Å; W410-S412 VanDerWaalsContact C-N 3.26Å; W410-S412 PolarHBondContact O-N 3.22Å; S412-E414 PolarHBondContact O-N 3.06Å | ||
| 413 | I | 35 | Very low | 52.4 | Low | 171 Ų | 171 | 100.5 Ų | 100.5 | 88% | 0.877 | 48% | 0.483 | S | S | * | . | trans | -67.7 | -10.8 | 176.9 | -70.1 | 170.6 | 0 | 0 | 0 | 112.2 | Q415 | I413-Q415 PolarHBondContact O-N 2.83Š| ||
| 414 | E | 32.8 | Very low | 51.1 | Low | 170 Ų | 170 | 104.6 Ų | 104.6 | 79% | 0.794 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -72.5 | 87.5 | -178.6 | -62.7 | -168.5 | 156.3 | 0 | 0 | 113 | S412 Y416 | S412-E414 PolarHBondContact O-N 3.06Å; E414-Y416 PolarHBondContact O-N 3.23Å |
| 415 | Q | 35.5 | Very low | 49.9 | Very low | 180 Ų | 180 | 102.6 Ų | 102.6 | 84% | 0.841 | 49% | 0.494 | S | S | * | . | trans | 30.9 | 76.9 | 145.2 | -63.1 | -173.2 | -4.5 | 0 | 0 | 115.8 | I413 N417 | I413-Q415 PolarHBondContact O-N 2.83Å; Q415-N417 PolarHBondContact O-N 2.89Å | ||
| 416 | Y | 37.6 | Very low | 48.7 | Very low | 132 Ų | 132 | 104.3 Ų | 104.3 | 52% | 0.518 | 50% | 0.496 | S | S | . | . | trans | -61 | 107.8 | 170.3 | -132.2 | -107.4 | 0 | 0 | 0 | 110.1 | T409 E414 T418 | T409-Y416 HydrophobicContact CG2-CD2 4.21Å; T409-Y416 HydrophobicContact CG2-CE2 3.4Å; T409-Y416 VanDerWaalsContact CG2-CE2 3.4Å; E414-Y416 PolarHBondContact O-N 3.23Å; Y416-T418 VanDerWaalsContact C-N 3.27Å; Y416-T418 HydrophobicContact CD1-CG2 4.29Å; Y416-T418 PolarHBondContact O-N 3Å | ||
| 417 | N | 38 | Very low | 47.5 | Very low | 145 Ų | 145 | 108 Ų | 108 | 78% | 0.775 | 52% | 0.519 | S | S | * | . | trans | -81.4 | 74.3 | -174.5 | -152.6 | -25.1 | 0 | 0 | 0 | 109.7 | Q415 K419 | Q415-N417 PolarHBondContact O-N 2.89Å; N417-K419 PolarHBondContact O-N 2.72Å | ||
| 418 | T | 43.7 | Very low | 46.5 | Very low | 22 Ų | 22 | 107.7 Ų | 107.7 | 14% | 0.135 | 52% | 0.518 | C | S | . | . | G | 310 helix | trans | -62.8 | -11.7 | -157.4 | 44.1 | 0 | 0 | 0 | 0 | 117.3 | N293 Y416 L420 K421 N422 | N293-T418 WeakPolarHBondContact OD1-CB 3.26Å; N293-T418 PolarHBondContact OD1-OG1 3.36Å; Y416-T418 VanDerWaalsContact C-N 3.27Å; Y416-T418 HydrophobicContact CD1-CG2 4.29Å; Y416-T418 PolarHBondContact O-N 3Å; T418-L420 PolarHBondContact O-N 3.4Å; T418-K421 PolarHBondContact O-N 3.23Å; T418-K421 VanDerWaalsContact O-N 3.09Å; T418-N422 PolarHBondContact O-N 2.73Å |
| 419 | K | 43.7 | Very low | 45.9 | Very low | 175 Ų | 175 | 100.5 Ų | 100.5 | 76% | 0.761 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -50.8 | -31.5 | -171.5 | -74.3 | -174.2 | 174.3 | 179.9 | 0 | 115 | N417 | N417-K419 PolarHBondContact O-N 2.72Š|
| 420 | L | 41.2 | Very low | 45.9 | Very low | 150 Ų | 150 | 99.2 Ų | 99.2 | 79% | 0.785 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -87.2 | -13.7 | -176 | -83.5 | 162.7 | 0 | 0 | 0 | 115.8 | T418 | T418-L420 PolarHBondContact O-N 3.4Š|
| 421 | K | 44.7 | Very low | 46.7 | Very low | 134 Ų | 134 | 96.6 Ų | 96.6 | 58% | 0.583 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.5 | -22.5 | 178.6 | -79.8 | -169.8 | 173.6 | -176.2 | 0 | 114.9 | T418 I423 I424 | T418-K421 PolarHBondContact O-N 3.23Å; T418-K421 VanDerWaalsContact O-N 3.09Å; K421-I423 PolarHBondContact O-N 2.89Å; K421-I423 VanDerWaalsContact O-N 3.13Å; K421-I424 PolarHBondContact O-N 2.99Å |
| 422 | N | 50.6 | Low | 48.5 | Very low | 12 Ų | 12 | 89.3 Ų | 89.3 | 6% | 0.064 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -14.9 | 176.2 | -72.1 | 23.1 | 0 | 0 | 0 | 113.7 | L290 N293 T418 I424 L425 Y426 | L290-N422 PolarHBondContact O-ND2 2.98Å; L290-N422 VanDerWaalsContact O-ND2 3.15Å; N293-N422 PolarHBondContact OD1-ND2 2.93Å; T418-N422 PolarHBondContact O-N 2.73Å; N422-I424 PolarHBondContact O-N 3.14Å; N422-L425 PolarHBondContact O-N 3.12Å; N422-Y426 HydrophobicContact CB-CD2 4.4Å; N422-Y426 HydrophobicContact CB-CE2 4.18Å; N422-Y426 VanDerWaalsContact O-CD2 3.32Å; N422-Y426 WeakPolarHBondContact O-CD2 3.26Å; N422-Y426 PolarHBondContact O-N 2.64Å; N422-Y426 VanDerWaalsContact O-N 3.08Å |
| 423 | I | 46.9 | Very low | 50.8 | Low | 94 Ų | 94 | 86.6 Ų | 86.6 | 48% | 0.482 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -49.1 | -35.4 | 175.1 | -58.6 | 174 | 0 | 0 | 0 | 112 | K421 N427 | K421-I423 PolarHBondContact O-N 2.89Å; K421-I423 VanDerWaalsContact O-N 3.13Å; I423-N427 PolarHBondContact O-N 2.9Å |
| 424 | I | 50.6 | Low | 53.3 | Low | 86 Ų | 86 | 79.1 Ų | 79.1 | 44% | 0.441 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -70.5 | -41.1 | 179.7 | -49.8 | 175.9 | 0 | 0 | 0 | 111.1 | I398 K421 N422 N427 | I398-I424 HydrophobicContact CD1-CG2 4.25Å; I398-I424 HydrophobicContact CG2-CG2 3.74Å; K421-I424 PolarHBondContact O-N 2.99Å; N422-I424 PolarHBondContact O-N 3.14Å; I424-N427 PolarHBondContact O-N 3.44Å |
| 425 | L | 53 | Low | 55.9 | Low | 6 Ų | 6 | 71 Ų | 71 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.3 | -37.4 | 176.5 | -81.7 | 166.4 | 0 | 0 | 0 | 112.4 | L290 I402 N422 N427 T428 L432 | L290-L425 HydrophobicContact CB-CD1 4.08Å; L290-L425 WeakPolarHBondContact O-CD1 3.28Å; I402-L425 HydrophobicContact CD1-CD1 4.06Å; I402-L425 HydrophobicContact CD1-CD2 4.33Å; I402-L425 HydrophobicContact CD1-CG 3.92Å; N422-L425 PolarHBondContact O-N 3.12Å; L425-N427 PolarHBondContact O-N 3.37Å; L425-T428 PolarHBondContact O-N 2.69Å; L425-T428 VanDerWaalsContact O-O 3.13Å; L425-T428 PolarHBondContact O-OG1 2.94Å; L425-L432 HydrophobicContact CD1-CD2 4.26Å; L425-L432 HydrophobicContact CD2-CD2 4.1Å |
| 426 | Y | 52.3 | Low | 58.3 | Low | 113 Ų | 113 | 63.2 Ų | 63.2 | 44% | 0.443 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.1 | -38 | 174.4 | -80.3 | -66.8 | 0 | 0 | 0 | 112.7 | K291 D292 N422 T428 | K291-Y426 HydrophobicContact CG-CD1 4.2Å; K291-Y426 HydrophobicContact CG-CE1 4.39Å; K291-Y426 VanDerWaalsContact O-CZ 3.24Å; K291-Y426 PolarHBondContact O-OH 3.4Å; D292-Y426 WeakPolarHBondContact OD1-CE1 3.26Å; N422-Y426 HydrophobicContact CB-CD2 4.4Å; N422-Y426 HydrophobicContact CB-CE2 4.18Å; N422-Y426 VanDerWaalsContact O-CD2 3.32Å; N422-Y426 WeakPolarHBondContact O-CD2 3.26Å; N422-Y426 PolarHBondContact O-N 2.64Å; N422-Y426 VanDerWaalsContact O-N 3.08Å; Y426-T428 PolarHBondContact O-N 3.06Å |
| 427 | N | 50.5 | Low | 60.7 | Low | 122 Ų | 122 | 57 Ų | 57 | 65% | 0.652 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | 10.2 | 176.4 | -76.6 | -24.1 | 0 | 0 | 0 | 114.5 | H121 I423 I424 L425 | H121-N427 PolarHBondContact CE1-O 2.99Å; H121-N427 PolarHBondContact ND1-O 3.19Å; I423-N427 PolarHBondContact O-N 2.9Å; I424-N427 PolarHBondContact O-N 3.44Å; L425-N427 PolarHBondContact O-N 3.37Å |
| 428 | T | 52 | Low | 62.8 | Low | 23 Ų | 23 | 52.3 Ų | 52.3 | 14% | 0.141 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -120.9 | 148.3 | 172.2 | 69.8 | 0 | 0 | 0 | 0 | 110.8 | K291 L425 Y426 V430 | K291-T428 PolarHBondContact NZ-O 3.09Å; L425-T428 PolarHBondContact O-N 2.69Å; L425-T428 VanDerWaalsContact O-O 3.13Å; L425-T428 PolarHBondContact O-OG1 2.94Å; Y426-T428 PolarHBondContact O-N 3.06Å; T428-V430 PolarHBondContact O-N 3.37Å |
| 429 | S | 54.9 | Low | 64.6 | Low | 27 Ų | 27 | 51.8 Ų | 51.8 | 19% | 0.189 | 25% | 0.247 | C | C | . | . | trans | -77 | -1.9 | 171.7 | 67.6 | 0 | 0 | 0 | 0 | 113.3 | G46 H121 | G46-S429 WeakPolarHBondContact O-CB 3.48Å; G46-S429 VanDerWaalsContact O-O 3.12Å; G46-S429 PolarHBondContact O-OG 3.04Å; H121-S429 PolarHBondContact NE2-N 3.25Å | ||
| 430 | V | 62 | Low | 65.8 | Low | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | trans | -68.2 | 133.8 | -172.5 | -173.8 | 0 | 0 | 0 | 0 | 111.5 | I390 I399 T428 | I390-V430 HydrophobicContact CG2-CG1 3.99Å; I399-V430 HydrophobicContact CD1-CB 4.44Å; I399-V430 HydrophobicContact CD1-CG1 3.83Å; I399-V430 HydrophobicContact CD1-CG2 4.35Å; T428-V430 PolarHBondContact O-N 3.37Å | ||
| 431 | K | 72.3 | Confident | 66.7 | Low | 39 Ų | 39 | 37.1 Ų | 37.1 | 17% | 0.17 | 18% | 0.177 | C | C | . | . | trans | -93.2 | 124 | 164 | -73.8 | -176.6 | 166.6 | -171.3 | 0 | 109.2 | N48 Y391 Y433 | N48-K431 WeakPolarHBondContact OD1-CE 3.47Å; N48-K431 PolarHBondContact OD1-NZ 3.36Å; Y391-K431 PolarHBondContact N-O 3.41Å; K431-Y433 HydrophobicContact CB-CE2 3.87Å; K431-Y433 HydrophobicContact CD-CE2 4.32Å; K431-Y433 WeakPolarHBondContact CD-OH 3.37Å | ||
| 432 | L | 82.4 | Confident | 66.7 | Low | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 111.1 | -179.6 | 178.3 | 66.5 | 0 | 0 | 0 | 107.8 | L290 W388 I389 I390 I399 I402 L425 | L290-L432 HydrophobicContact CB-CB 4.39Å; L290-L432 HydrophobicContact CB-CD2 4.17Å; L290-L432 HydrophobicContact CB-CG 4.18Å; L290-L432 WeakPolarHBondContact CB-O 3.47Å; L290-L432 HydrophobicContact CD1-CD2 3.81Å; L290-L432 HydrophobicContact CD1-CG 3.96Å; L290-L432 HydrophobicContact CG-CD2 4.44Å; L290-L432 HydrophobicContact CG-CG 4.26Å; L290-L432 PolarHBondContact N-O 2.94Å; W388-L432 HydrophobicContact CB-CD1 4.29Å; I389-L432 WeakPolarHBondContact O-CA 3.36Å; I390-L432 HydrophobicContact CG1-CD1 3.88Å; I399-L432 HydrophobicContact CG2-CD1 4.07Å; I399-L432 HydrophobicContact CG2-CD2 4.15Å; I402-L432 HydrophobicContact CG2-CD2 4.32Å; L425-L432 HydrophobicContact CD1-CD2 4.26Å; L425-L432 HydrophobicContact CD2-CD2 4.1Å |
| 433 | Y | 86.7 | Confident | 66.1 | Low | 11 Ų | 11 | 33.1 Ų | 33.1 | 4% | 0.043 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 140.3 | 177.9 | -62.9 | -74.8 | 0 | 0 | 0 | 110.4 | I287 L288 D289 L296 P326 W388 I389 K431 | I287-Y433 HydrophobicContact CG2-CD1 3.98Å; I287-Y433 HydrophobicContact CG2-CG 4.34Å; L288-Y433 WeakPolarHBondContact O-CA 3.43Å; D289-Y433 HydrophobicContact CB-CD1 4.04Å; D289-Y433 HydrophobicContact CB-CE1 3.64Å; D289-Y433 WeakPolarHBondContact OD2-CE1 3.42Å; D289-Y433 VanDerWaalsContact OD2-CZ 3.27Å; D289-Y433 PolarHBondContact OD2-OH 2.8Å; L296-Y433 HydrophobicContact CD1-CD1 4.12Å; L296-Y433 HydrophobicContact CD1-CE1 3.86Å; L296-Y433 HydrophobicContact CD2-CE1 4.5Å; L296-Y433 HydrophobicContact CG-CE1 4.37Å; P326-Y433 HydrophobicContact CB-CD1 4.26Å; P326-Y433 HydrophobicContact CB-CD2 3.83Å; P326-Y433 HydrophobicContact CB-CE1 4.27Å; P326-Y433 HydrophobicContact CB-CE2 3.83Å; P326-Y433 HydrophobicContact CB-CG 4.09Å; W388-Y433 CarbonylContact C-O 3.56Å; W388-Y433 WeakPolarHBondContact CA-O 3.16Å; I389-Y433 PolarHBondContact N-O 3.08Å; I389-Y433 PolarHBondContact O-N 3.29Å; K431-Y433 HydrophobicContact CB-CE2 3.87Å; K431-Y433 HydrophobicContact CD-CE2 4.32Å; K431-Y433 WeakPolarHBondContact CD-OH 3.37Å |
| 434 | E | 88.1 | Confident | 65.6 | Low | 14 Ų | 14 | 30.6 Ų | 30.6 | 7% | 0.065 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 129.4 | 165.5 | -178.1 | 177.5 | 140.4 | 0 | 0 | 109.4 | I287 L288 L290 W388 R406 Q436 | I287-E434 WeakPolarHBondContact CA-O 3.22Å; L288-E434 HydrophobicContact CB-CB 4.45Å; L288-E434 PolarHBondContact N-O 3.42Å; L288-E434 PolarHBondContact O-N 3.04Å; L290-E434 HydrophobicContact CD1-CB 4.22Å; L290-E434 HydrophobicContact CD2-CB 3.72Å; L290-E434 HydrophobicContact CG-CB 4.08Å; W388-E434 PolarHBondContact NE1-OE2 2.89Å; R406-E434 IonicContact CZ-OE2 3.12Å; R406-E434 IonicContact NE-OE2 2.67Å; R406-E434 PolarHBondContact NE-OE2 3.3Å; R406-E434 IonicContact NH2-OE2 2.69Å; R406-E434 PolarHBondContact NH2-OE2 2.83Å; E434-Q436 PolarHBondContact OE1-NE2 2.97Å |
| 435 | I | 88.1 | Confident | 64.7 | Low | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 128.5 | -175.9 | -55.1 | -166.4 | 0 | 0 | 0 | 109.6 | I284 I287 W317 P386 I387 I389 I437 | I284-I435 HydrophobicContact CB-CG2 4.47Å; I284-I435 HydrophobicContact CD1-CG2 4.33Å; I284-I435 HydrophobicContact CG1-CG2 4Å; I284-I435 HydrophobicContact CG2-CG2 3.68Å; I287-I435 HydrophobicContact CB-CG1 4.43Å; I287-I435 HydrophobicContact CD1-CD1 3.99Å; I287-I435 HydrophobicContact CG1-CD1 4.02Å; I287-I435 HydrophobicContact CG1-CG1 4.01Å; I287-I435 HydrophobicContact CG1-CG2 4.27Å; I287-I435 HydrophobicContact CG2-CD1 4.23Å; I287-I435 HydrophobicContact CG2-CG1 4.04Å; W317-I435 HydrophobicContact CH2-CD1 3.78Å; W317-I435 HydrophobicContact CZ3-CD1 3.64Å; W317-I435 HydrophobicContact CZ3-CG2 4.33Å; P386-I435 WeakPolarHBondContact CA-O 3.05Å; I387-I435 PolarHBondContact N-O 3.04Å; I387-I435 PolarHBondContact O-N 2.05Å; I389-I435 HydrophobicContact CD1-CD1 3.46Å; I389-I435 VanDerWaalsContact CD1-CD1 3.46Å; I389-I435 HydrophobicContact CG1-CD1 3.79Å; I389-I435 HydrophobicContact CG1-CG1 4.37Å; I435-I437 HydrophobicContact CG2-CG2 4.1Å |
| 436 | Q | 86 | Confident | 63.8 | Low | 16 Ų | 16 | 36.1 Ų | 36.1 | 8% | 0.075 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 109.9 | 178.2 | -63.8 | -65.1 | -26.2 | 0 | 0 | 110.2 | I284 S285 H286 F384 E434 | I284-Q436 VanDerWaalsContact CA-O 3.29Å; I284-Q436 WeakPolarHBondContact CA-O 3.37Å; S285-Q436 PolarHBondContact N-O 2.85Å; S285-Q436 WeakPolarHBondContact OG-CB 3.15Å; H286-Q436 VanDerWaalsContact CE1-CG 3.41Å; H286-Q436 WeakPolarHBondContact CE1-CG 3.08Å; H286-Q436 VanDerWaalsContact NE2-CG 3.33Å; H286-Q436 WeakPolarHBondContact NE2-CG 3.46Å; H286-Q436 PolarHBondContact O-N 3.17Å; F384-Q436 HydrophobicContact CB-CB 4.44Å; F384-Q436 HydrophobicContact CD1-CB 4.03Å; F384-Q436 HydrophobicContact CG-CB 4.46Å; E434-Q436 PolarHBondContact OE1-NE2 2.97Å |
| 437 | I | 86.8 | Confident | 63.3 | Low | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 148.8 | 176.9 | 61.9 | 155.7 | 0 | 0 | 0 | 113.2 | F282 Q283 I284 P371 F384 S385 I387 I435 | F282-I437 HydrophobicContact CB-CB 4.38Å; F282-I437 HydrophobicContact CD1-CD1 3.85Å; F282-I437 HydrophobicContact CE1-CD1 4.19Å; F282-I437 HydrophobicContact CG-CD1 4.4Å; Q283-I437 WeakPolarHBondContact O-CA 3.07Å; I284-I437 HydrophobicContact CG1-CG2 3.99Å; P371-I437 HydrophobicContact CG-CD1 3.77Å; P371-I437 HydrophobicContact CG-CG1 3.84Å; F384-I437 CarbonylContact C-O 3.57Å; F384-I437 VanDerWaalsContact CA-O 3.28Å; F384-I437 WeakPolarHBondContact CA-O 3.02Å; F384-I437 VanDerWaalsContact CD1-C 3.49Å; S385-I437 PolarHBondContact N-O 3.13Å; S385-I437 WeakPolarHBondContact O-CG1 3.19Å; S385-I437 PolarHBondContact O-N 3.27Å; I387-I437 HydrophobicContact CD1-CD1 3.43Å; I387-I437 VanDerWaalsContact CD1-CD1 3.43Å; I387-I437 HydrophobicContact CD1-CG1 4.14Å; I387-I437 HydrophobicContact CG1-CD1 3.84Å; I387-I437 HydrophobicContact CG1-CG1 4.03Å; I435-I437 HydrophobicContact CG2-CG2 4.1Å |
| 438 | R | 82.3 | Confident | 62.7 | Low | 46 Ų | 46 | 37.7 Ų | 37.7 | 17% | 0.174 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 152.6 | 161.7 | 68.9 | -179.9 | -178.3 | -176.1 | 5.9 | 109.7 | F282 Q283 Y381 F384 A440 | F282-R438 CarbonylContact C-O 3.47Å; F282-R438 WeakPolarHBondContact CA-O 3.21Å; F282-R438 WeakPolarHBondContact CB-O 3.22Å; Q283-R438 HydrophobicContact CB-CG 4.18Å; Q283-R438 PolarHBondContact N-O 2.99Å; Q283-R438 PolarHBondContact O-N 3.08Å; Q283-R438 VanDerWaalsContact OE1-CZ 3.3Å; Y381-R438 HydrophobicContact CD1-CG 4.44Å; Y381-R438 VanDerWaalsContact CD1-NE 3.27Å; F384-R438 HydrophobicContact CD1-CB 3.92Å; F384-R438 HydrophobicContact CD1-CG 4.02Å; F384-R438 HydrophobicContact CE1-CB 4.04Å; F384-R438 HydrophobicContact CE1-CG 3.59Å; F384-R438 HydrophobicContact CE2-CG 4.4Å; F384-R438 HydrophobicContact CG-CB 4.3Å; F384-R438 VanDerWaalsContact CZ-CD 3.41Å; F384-R438 HydrophobicContact CZ-CG 3.8Å; R438-A440 PolarHBondContact O-N 3.09Å |
| 439 | R | 80.7 | Confident | 62.1 | Low | 12 Ų | 12 | 41.9 Ų | 41.9 | 5% | 0.045 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.6 | 138.5 | 171.4 | -80.1 | -76.7 | -177.3 | 157.8 | -0.5 | 110.6 | S279 F282 P371 E373 L374 | S279-R439 PolarHBondContact O-NH1 3.44Å; S279-R439 PolarHBondContact O-NH2 3.37Å; S279-R439 VanDerWaalsContact O-NH2 3.1Å; F282-R439 HydrophobicContact CD1-CG 4.31Å; F282-R439 HydrophobicContact CE1-CG 3.92Å; P371-R439 HydrophobicContact CB-CG 4.22Å; E373-R439 IonicContact OE1-CZ 2.71Å; E373-R439 IonicContact OE1-NH1 3.26Å; E373-R439 PolarHBondContact OE1-NH1 2.58Å; E373-R439 IonicContact OE1-NH2 3.48Å; E373-R439 PolarHBondContact OE1-NH2 3.18Å; L374-R439 HydrophobicContact CD1-CB 3.75Å; L374-R439 HydrophobicContact CD1-CG 4.36Å |
| 440 | A | 69.3 | Low | 61.4 | Low | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -88.1 | 153 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | G281 Q283 R438 N563 G564 | G281-A440 PolarHBondContact O-N 3.39Å; Q283-A440 HydrophobicContact CG-CB 4.13Å; R438-A440 PolarHBondContact O-N 3.09Å; A440-N563 CarbonylContact O-C 3.56Å; A440-G564 WeakPolarHBondContact O-CA 3.04Å; A440-G564 PolarHBondContact O-N 2.84Å |
| 441 | F | 60.1 | Low | 60.4 | Low | 15 Ų | 15 | 42.5 Ų | 42.5 | 7% | 0.066 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -100.2 | 147.9 | 172.3 | -59.3 | -57.4 | 0 | 0 | 0 | 110.7 | L374 T380 Y381 | L374-F441 HydrophobicContact CB-CE1 3.84Å; L374-F441 HydrophobicContact CD1-CE1 3.65Å; L374-F441 HydrophobicContact CD1-CZ 3.96Å; L374-F441 HydrophobicContact CD2-CE1 4.38Å; L374-F441 HydrophobicContact CD2-CZ 4.46Å; L374-F441 HydrophobicContact CG-CE1 4.14Å; T380-F441 VanDerWaalsContact O-CZ 3.32Å; T380-F441 WeakPolarHBondContact O-CZ 3.38Å; Y381-F441 AromaticContact CD1-CD2 3.82Å; Y381-F441 HydrophobicContact CD1-CD2 3.82Å; Y381-F441 AromaticContact CD1-CE2 3.39Å; Y381-F441 HydrophobicContact CD1-CE2 3.39Å; Y381-F441 HydrophobicContact CD1-CZ 4.2Å; Y381-F441 HydrophobicContact CD2-CD2 4.43Å; Y381-F441 HydrophobicContact CD2-CE2 4.02Å; Y381-F441 AromaticContact CE1-CD2 3.53Å; Y381-F441 HydrophobicContact CE1-CD2 3.53Å; Y381-F441 AromaticContact CE1-CE2 3.65Å; Y381-F441 HydrophobicContact CE1-CE2 3.65Å; Y381-F441 HydrophobicContact CE1-CG 4.48Å; Y381-F441 HydrophobicContact CE2-CD2 4.18Å; Y381-F441 HydrophobicContact CE2-CE2 4.23Å; Y381-F441 HydrophobicContact CG-CD2 4.26Å; Y381-F441 AromaticContact CG-CE2 3.6Å; Y381-F441 HydrophobicContact CG-CE2 3.6Å; Y381-F441 HydrophobicContact CG-CZ 4.48Å; Y381-F441 AromaticContact CZ-CD2 3.72Å |
| 442 | G | 45.9 | Very low | 59.1 | Low | 9 Ų | 9 | 46 Ų | 46 | 9% | 0.093 | 24% | 0.237 | C | C | . | . | trans | -82.2 | -19.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | C444 R467 | G442-C444 PolarHBondContact O-SG 3.24Å; G442-C444 VanDerWaalsContact O-SG 3.32Å; G442-R467 WeakPolarHBondContact O-CD 3.27Å; G442-R467 PolarHBondContact O-NE 3.16Å; G442-R467 PolarHBondContact O-NH1 2.91Å | ||
| 443 | N | 36.3 | Very low | 57.3 | Low | 54 Ų | 54 | 51.3 Ų | 51.3 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | trans | -76.9 | 133.6 | -176.1 | -70.3 | -24.8 | 0 | 0 | 0 | 111.9 | I376 R467 | I376-N443 PolarHBondContact O-ND2 3.32Å; N443-R467 PolarHBondContact OD1-NH1 2.88Å | ||
| 444 | C | 36.7 | Very low | 55 | Low | 40 Ų | 40 | 51.7 Ų | 51.7 | 27% | 0.27 | 27% | 0.27 | S | S | . | . | trans | -108.2 | 58.3 | -169.2 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | G442 F464 | G442-C444 PolarHBondContact O-SG 3.24Å; G442-C444 VanDerWaalsContact O-SG 3.32Å; C444-F464 HydrophobicContact CB-CD1 4.28Å; C444-F464 PolarHBondContact SG-O 2.84Å | ||
| 445 | D | 32.5 | Very low | 52.8 | Low | 104 Ų | 104 | 51.6 Ų | 51.6 | 56% | 0.556 | 27% | 0.27 | S | S | * | . | trans | -90.6 | -34.1 | 176.4 | -81.5 | -20.4 | 0 | 0 | 0 | 112.4 | K379 | K379-D445 IonicContact NZ-OD2 3.18Å; K379-D445 PolarHBondContact NZ-OD2 3.48Å | ||
| 446 | D | 34.4 | Very low | 50.7 | Low | 105 Ų | 105 | 57.7 Ų | 57.7 | 56% | 0.561 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -84.5 | -25.9 | -158.2 | -68.7 | -9.3 | 0 | 0 | 0 | 116.9 | ||
| 447 | E | 41.4 | Very low | 48.8 | Very low | 42 Ų | 42 | 62.7 Ų | 62.7 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | trans | -130.7 | 58.5 | -173 | -81.7 | -167.6 | -157.6 | 0 | 0 | 114.5 | V449 S450 C451 R460 F464 | E447-V449 PolarHBondContact O-N 3.03Å; E447-S450 PolarHBondContact O-N 3.09Å; E447-S450 VanDerWaalsContact O-N 3.09Å; E447-S450 VanDerWaalsContact OE2-CB 3.31Å; E447-S450 WeakPolarHBondContact OE2-CB 3.45Å; E447-S450 PolarHBondContact OE2-OG 3.09Å; E447-C451 PolarHBondContact O-N 3.31Å; E447-R460 VanDerWaalsContact OE1-CD 3.3Å; E447-R460 WeakPolarHBondContact OE1-CD 3.44Å; E447-R460 IonicContact OE1-CZ 3.42Å; E447-R460 IonicContact OE1-NE 3.38Å; E447-R460 IonicContact OE1-NH1 3.25Å; E447-R460 PolarHBondContact OE1-NH1 2.96Å; E447-F464 HydrophobicContact CB-CD2 4.47Å | ||
| 448 | R | 38.4 | Very low | 46.8 | Very low | 226 Ų | 226 | 64.6 Ų | 64.6 | 85% | 0.853 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -57.3 | -28.4 | 174.1 | -147.2 | 178.4 | -163.8 | -178.7 | 6 | 113.7 | ||
| 449 | V | 39.7 | Very low | 45.1 | Very low | 111 Ų | 111 | 62.5 Ų | 62.5 | 67% | 0.673 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -74.7 | -32.2 | 177.8 | -178.5 | 0 | 0 | 0 | 0 | 112.1 | E447 T452 H453 | E447-V449 PolarHBondContact O-N 3.03Å; V449-T452 PolarHBondContact O-OG1 3.19Å; V449-H453 PolarHBondContact O-ND1 3.33Å |
| 450 | S | 40.3 | Very low | 43.6 | Very low | 26 Ų | 26 | 65.6 Ų | 65.6 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -76.3 | -32.9 | -179.1 | -48.6 | 0 | 0 | 0 | 0 | 110.3 | E447 T452 H453 N461 | E447-S450 PolarHBondContact O-N 3.09Å; E447-S450 VanDerWaalsContact O-N 3.09Å; E447-S450 VanDerWaalsContact OE2-CB 3.31Å; E447-S450 WeakPolarHBondContact OE2-CB 3.45Å; E447-S450 PolarHBondContact OE2-OG 3.09Å; S450-T452 VanDerWaalsContact C-N 3.3Å; S450-T452 PolarHBondContact O-N 3.31Å; S450-H453 PolarHBondContact O-N 3.46Å; S450-H453 VanDerWaalsContact O-N 3.13Å; S450-N461 WeakPolarHBondContact CB-OD1 3.4Å; S450-N461 PolarHBondContact O-ND2 3.35Å |
| 451 | C | 40.7 | Very low | 42.6 | Very low | 20 Ų | 20 | 65.5 Ų | 65.5 | 14% | 0.135 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56.2 | -34.5 | 175 | -71.8 | 0 | 0 | 0 | 0 | 114.9 | E447 H453 G454 | E447-C451 PolarHBondContact O-N 3.31Å; C451-H453 PolarHBondContact O-N 2.81Å; C451-H453 VanDerWaalsContact O-N 3.16Å; C451-G454 PolarHBondContact O-N 3.44Å; C451-G454 VanDerWaalsContact O-N 3.09Å |
| 452 | T | 43.5 | Very low | 42.1 | Very low | 113 Ų | 113 | 66.7 Ų | 66.7 | 69% | 0.693 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -15.3 | -179.4 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | V449 S450 | V449-T452 PolarHBondContact O-OG1 3.19Å; S450-T452 VanDerWaalsContact C-N 3.3Å; S450-T452 PolarHBondContact O-N 3.31Å |
| 453 | H | 44.9 | Very low | 42.2 | Very low | 111 Ų | 111 | 67 Ų | 67 | 51% | 0.514 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -3.1 | 177.3 | -59.6 | 83.7 | 0 | 0 | 0 | 113 | V449 S450 C451 H457 | V449-H453 PolarHBondContact O-ND1 3.33Å; S450-H453 PolarHBondContact O-N 3.46Å; S450-H453 VanDerWaalsContact O-N 3.13Å; C451-H453 PolarHBondContact O-N 2.81Å; C451-H453 VanDerWaalsContact O-N 3.16Å; H453-H457 HydrophobicContact CB-CB 3.89Å; H453-H457 WeakPolarHBondContact CB-CD2 3.12Å; H453-H457 AromaticContact CG-CD2 3.93Å |
| 454 | G | 38.1 | Very low | 42.6 | Very low | 20 Ų | 20 | 64.8 Ų | 64.8 | 21% | 0.206 | 33% | 0.328 | C | S | . | . | trans | 88.6 | 160.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | C451 E456 H457 N461 | C451-G454 PolarHBondContact O-N 3.44Å; C451-G454 VanDerWaalsContact O-N 3.09Å; G454-E456 VanDerWaalsContact C-N 3.26Å; G454-E456 PolarHBondContact O-N 2.83Å; G454-H457 WeakPolarHBondContact O-CB 3.49Å; G454-H457 PolarHBondContact O-N 3.03Å; G454-N461 PolarHBondContact O-ND2 3.33Å | ||
| 455 | C | 42.3 | Very low | 42.6 | Very low | 12 Ų | 12 | 63 Ų | 63 | 8% | 0.081 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -29.8 | -169.5 | -46.3 | 0 | 0 | 0 | 0 | 114.7 | N461 Q462 C465 | C455-N461 CarbonylContact O-C 3.37Å; C455-N461 WeakPolarHBondContact O-CB 3.14Å; C455-Q462 WeakPolarHBondContact O-CG 3.24Å; C455-Q462 PolarHBondContact O-N 2.84Å; C455-C465 HydrophobicContact CB-CB 3.75Å; C455-C465 WeakPolarHBondContact SG-CB 3.47Å |
| 456 | E | 44.1 | Very low | 43.1 | Very low | 127 Ų | 127 | 60.2 Ų | 60.2 | 59% | 0.593 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -5 | -174.2 | -53.8 | -155.4 | 134.9 | 0 | 0 | 113.7 | G454 N458 | G454-E456 VanDerWaalsContact C-N 3.26Å; G454-E456 PolarHBondContact O-N 2.83Å; E456-N458 VanDerWaalsContact C-N 3.27Å; E456-N458 PolarHBondContact O-N 3.25Å |
| 457 | H | 45.4 | Very low | 43.2 | Very low | 121 Ų | 121 | 59.8 Ų | 59.8 | 56% | 0.56 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -65.1 | -27 | -177.1 | -177.6 | 64.4 | 0 | 0 | 0 | 113.9 | H453 G454 | H453-H457 HydrophobicContact CB-CB 3.89Å; H453-H457 WeakPolarHBondContact CB-CD2 3.12Å; H453-H457 AromaticContact CG-CD2 3.93Å; G454-H457 WeakPolarHBondContact O-CB 3.49Å; G454-H457 PolarHBondContact O-N 3.03Å |
| 458 | N | 45.3 | Very low | 42.8 | Very low | 41 Ų | 41 | 59 Ų | 59 | 22% | 0.219 | 29% | 0.289 | C | S | . | . | trans | -151.3 | 153 | 179.2 | -167.1 | -34.1 | 0 | 0 | 0 | 110.9 | E456 R460 N461 Q462 | E456-N458 VanDerWaalsContact C-N 3.27Å; E456-N458 PolarHBondContact O-N 3.25Å; N458-R460 VanDerWaalsContact C-N 3.26Å; N458-R460 PolarHBondContact O-N 3.28Å; N458-R460 PolarHBondContact OD1-N 3.17Å; N458-N461 HydrophobicContact CB-CB 4.2Å; N458-N461 WeakPolarHBondContact O-CA 3.39Å; N458-N461 VanDerWaalsContact O-CB 3.27Å; N458-N461 WeakPolarHBondContact O-CB 3.43Å; N458-N461 PolarHBondContact O-N 2.88Å; N458-Q462 PolarHBondContact O-N 3.3Å | ||
| 459 | A | 48.1 | Very low | 42.6 | Very low | 3 Ų | 3 | 48.8 Ų | 48.8 | 3% | 0.025 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.1 | -33.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y302 L320 N461 Q462 | Y302-A459 WeakPolarHBondContact O-CB 3.28Å; L320-A459 HydrophobicContact CD2-CB 3.94Å; L320-A459 HydrophobicContact CG-CB 3.98Å; A459-N461 VanDerWaalsContact C-N 3.29Å; A459-N461 PolarHBondContact O-N 2.8Å; A459-Q462 PolarHBondContact O-N 2.83Å |
| 460 | R | 48.3 | Very low | 42.5 | Very low | 76 Ų | 76 | 45.9 Ų | 45.9 | 29% | 0.287 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -55.4 | -45.8 | 166.9 | -68.7 | -167.8 | -172.7 | -163.8 | 2.9 | 111.3 | H300 E447 N458 Q462 F463 F464 | H300-R460 PolarHBondContact O-NH2 3.15Å; E447-R460 VanDerWaalsContact OE1-CD 3.3Å; E447-R460 WeakPolarHBondContact OE1-CD 3.44Å; E447-R460 IonicContact OE1-CZ 3.42Å; E447-R460 IonicContact OE1-NE 3.38Å; E447-R460 IonicContact OE1-NH1 3.25Å; E447-R460 PolarHBondContact OE1-NH1 2.96Å; N458-R460 VanDerWaalsContact C-N 3.26Å; N458-R460 PolarHBondContact O-N 3.28Å; N458-R460 PolarHBondContact OD1-N 3.17Å; R460-Q462 VanDerWaalsContact C-N 3.3Å; R460-Q462 PolarHBondContact O-N 3.45Å; R460-F463 PolarHBondContact O-N 2.83Å; R460-F464 HydrophobicContact CB-CD2 4.48Å; R460-F464 VanDerWaalsContact O-CD2 3.27Å; R460-F464 WeakPolarHBondContact O-CD2 3.4Å; R460-F464 PolarHBondContact O-N 2.77Å |
| 461 | N | 49 | Very low | 42.3 | Very low | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.3 | -27.4 | -179.7 | -88.1 | 7.4 | 0 | 0 | 0 | 113.8 | S450 G454 C455 N458 A459 F463 F464 C465 | S450-N461 WeakPolarHBondContact CB-OD1 3.4Å; S450-N461 PolarHBondContact O-ND2 3.35Å; G454-N461 PolarHBondContact O-ND2 3.33Å; C455-N461 CarbonylContact O-C 3.37Å; C455-N461 WeakPolarHBondContact O-CB 3.14Å; N458-N461 HydrophobicContact CB-CB 4.2Å; N458-N461 WeakPolarHBondContact O-CA 3.39Å; N458-N461 VanDerWaalsContact O-CB 3.27Å; N458-N461 WeakPolarHBondContact O-CB 3.43Å; N458-N461 PolarHBondContact O-N 2.88Å; A459-N461 VanDerWaalsContact C-N 3.29Å; A459-N461 PolarHBondContact O-N 2.8Å; N461-F463 PolarHBondContact O-N 2.68Å; N461-F464 PolarHBondContact O-N 3.08Å; N461-C465 WeakPolarHBondContact CB-SG 3.43Å; N461-C465 WeakPolarHBondContact O-CA 3.37Å; N461-C465 WeakPolarHBondContact O-CB 3.31Å; N461-C465 PolarHBondContact O-N 3.1Å; N461-C465 PolarHBondContact O-SG 3.01Å |
| 462 | Q | 49.6 | Very low | 42.2 | Very low | 40 Ų | 40 | 52.5 Ų | 52.5 | 19% | 0.187 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.9 | -27.4 | 180 | -67 | -168.8 | 24.2 | 0 | 0 | 112.4 | C455 N458 A459 R460 | C455-Q462 WeakPolarHBondContact O-CG 3.24Å; C455-Q462 PolarHBondContact O-N 2.84Å; N458-Q462 PolarHBondContact O-N 3.3Å; A459-Q462 PolarHBondContact O-N 2.83Å; R460-Q462 VanDerWaalsContact C-N 3.3Å; R460-Q462 PolarHBondContact O-N 3.45Å |
| 463 | F | 47.3 | Very low | 41.8 | Very low | 14 Ų | 14 | 51 Ų | 51 | 6% | 0.061 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -87.2 | -45.2 | 174.2 | -68.9 | -86.9 | 0 | 0 | 0 | 112.2 | T304 E306 R460 N461 G564 | T304-F463 HydrophobicContact CG2-CD2 3.97Å; T304-F463 HydrophobicContact CG2-CE2 3.48Å; T304-F463 VanDerWaalsContact CG2-CE2 3.48Å; T304-F463 HydrophobicContact CG2-CZ 4.29Å; T304-F463 WeakPolarHBondContact OG1-CE2 3.26Å; E306-F463 HydrophobicContact CG-CE1 4.37Å; E306-F463 HydrophobicContact CG-CZ 4.12Å; R460-F463 PolarHBondContact O-N 2.83Å; N461-F463 PolarHBondContact O-N 2.68Å; F463-G564 VanDerWaalsContact CD1-O 3.24Å; F463-G564 WeakPolarHBondContact CD1-O 3.43Å; F463-G564 WeakPolarHBondContact CE1-O 3.46Å |
| 464 | F | 44.5 | Very low | 41.4 | Very low | 9 Ų | 9 | 51.4 Ų | 51.4 | 4% | 0.039 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -78.4 | -36.1 | -175.6 | -64.3 | -55.4 | 0 | 0 | 0 | 114.5 | C444 E447 R460 N461 S468 | C444-F464 HydrophobicContact CB-CD1 4.28Å; C444-F464 PolarHBondContact SG-O 2.84Å; E447-F464 HydrophobicContact CB-CD2 4.47Å; R460-F464 HydrophobicContact CB-CD2 4.48Å; R460-F464 VanDerWaalsContact O-CD2 3.27Å; R460-F464 WeakPolarHBondContact O-CD2 3.4Å; R460-F464 PolarHBondContact O-N 2.77Å; N461-F464 PolarHBondContact O-N 3.08Å; F464-S468 PolarHBondContact O-OG 2.91Å |
| 465 | C | 37.1 | Very low | 41.3 | Very low | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.007 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -30.9 | -175.2 | -58.5 | 0 | 0 | 0 | 0 | 112.9 | C455 N461 R467 S468 C469 | C455-C465 HydrophobicContact CB-CB 3.75Å; C455-C465 WeakPolarHBondContact SG-CB 3.47Å; N461-C465 WeakPolarHBondContact CB-SG 3.43Å; N461-C465 WeakPolarHBondContact O-CA 3.37Å; N461-C465 WeakPolarHBondContact O-CB 3.31Å; N461-C465 PolarHBondContact O-N 3.1Å; N461-C465 PolarHBondContact O-SG 3.01Å; C465-R467 VanDerWaalsContact C-N 3.33Å; C465-R467 PolarHBondContact O-N 2.86Å; C465-S468 CarbonylContact O-C 3.5Å; C465-S468 WeakPolarHBondContact O-CA 3.45Å; C465-S468 WeakPolarHBondContact O-CB 3.36Å; C465-S468 PolarHBondContact O-N 2.82Å; C465-C469 PolarHBondContact O-N 2.89Å |
| 466 | H | 41.8 | Very low | 41.1 | Very low | 47 Ų | 47 | 58.8 Ų | 58.8 | 22% | 0.218 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -27.8 | -175 | -101.5 | -61.3 | 0 | 0 | 0 | 114.1 | S468 K600 | H466-S468 VanDerWaalsContact C-N 3.28Å; H466-K600 PolarHBondContact NE2-NZ 2.69Å; H466-K600 VanDerWaalsContact NE2-NZ 3.15Å |
| 467 | R | 37.9 | Very low | 40.6 | Very low | 96 Ų | 96 | 55.9 Ų | 55.9 | 36% | 0.362 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -23.5 | 168 | -93.8 | -150.5 | -175.5 | 177.3 | 8.2 | 113.6 | G442 N443 C465 Y560 | G442-R467 WeakPolarHBondContact O-CD 3.27Å; G442-R467 PolarHBondContact O-NE 3.16Å; G442-R467 PolarHBondContact O-NH1 2.91Å; N443-R467 PolarHBondContact OD1-NH1 2.88Å; C465-R467 VanDerWaalsContact C-N 3.33Å; C465-R467 PolarHBondContact O-N 2.86Å; R467-Y560 HydrophobicContact CG-CE2 3.88Å |
| 468 | S | 33.4 | Very low | 40.1 | Very low | 26 Ų | 26 | 56 Ų | 56 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -45 | -164.4 | -54.5 | 0 | 0 | 0 | 0 | 110.6 | F464 C465 H466 C476 | F464-S468 PolarHBondContact O-OG 2.91Å; C465-S468 CarbonylContact O-C 3.5Å; C465-S468 WeakPolarHBondContact O-CA 3.45Å; C465-S468 WeakPolarHBondContact O-CB 3.36Å; C465-S468 PolarHBondContact O-N 2.82Å; H466-S468 VanDerWaalsContact C-N 3.28Å; S468-C476 VanDerWaalsContact C-SG 3.55Å; S468-C476 WeakPolarHBondContact CB-SG 3.46Å; S468-C476 CarbonylContact O-C 3.46Å; S468-C476 WeakPolarHBondContact O-CA 3.42Å; S468-C476 WeakPolarHBondContact O-CB 3.47Å |
| 469 | C | 33.7 | Very low | 39.9 | Very low | 10 Ų | 10 | 59.8 Ų | 59.8 | 7% | 0.068 | 35% | 0.352 | C | S | . | . | trans | -131.6 | 112.7 | -172.9 | -83.5 | 0 | 0 | 0 | 0 | 110.8 | C465 V471 Q474 C476 | C465-C469 PolarHBondContact O-N 2.89Å; C469-V471 VanDerWaalsContact C-N 3.33Å; C469-V471 PolarHBondContact O-N 2.87Å; C469-Q474 PolarHBondContact SG-O 2.81Å; C469-C476 HydrophobicContact CB-CB 4.29Å; C469-C476 WeakPolarHBondContact CB-SG 3.49Å; C469-C476 WeakPolarHBondContact SG-CA 3.34Å; C469-C476 WeakPolarHBondContact SG-CB 3.5Å; C469-C476 PolarHBondContact SG-N 2.81Å; C469-C476 CovalentContact SG-SG 2.05Å; C469-C476 PolarHBondContact SG-SG 3.29Å | ||
| 470 | L | 37.7 | Very low | 39.6 | Very low | 50 Ų | 50 | 63 Ų | 63 | 26% | 0.262 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -71.9 | -21.5 | 178.1 | -90.5 | 135.6 | 0 | 0 | 0 | 114.6 | I479 I480 V543 R557 | L470-I479 HydrophobicContact CD1-CG2 4.1Å; L470-I480 HydrophobicContact CD1-CB 4.33Å; L470-I480 WeakPolarHBondContact CD1-O 3.4Å; L470-V543 HydrophobicContact CD2-CG1 3.96Å; L470-R557 VanDerWaalsContact CD2-NH1 3.26Å |
| 471 | V | 36.5 | Very low | 39.6 | Very low | 72 Ų | 72 | 64.4 Ų | 64.4 | 44% | 0.436 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -133.6 | 134.9 | -172.3 | -174 | 0 | 0 | 0 | 0 | 109.7 | C469 G473 Q474 | C469-V471 VanDerWaalsContact C-N 3.33Å; C469-V471 PolarHBondContact O-N 2.87Å; V471-G473 PolarHBondContact O-N 2.87Å; V471-Q474 PolarHBondContact O-N 2.92Å |
| 472 | P | 37.3 | Very low | 39.7 | Very low | 113 Ų | 113 | 67.5 Ų | 67.5 | 73% | 0.734 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 120.5 | 172.5 | -24.1 | 34.3 | 0 | 0 | 0 | 111.6 | ||
| 473 | G | 36.3 | Very low | 40.4 | Very low | 81 Ų | 81 | 71.5 Ų | 71.5 | 84% | 0.835 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.5 | 3.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 117 | V471 | V471-G473 PolarHBondContact O-N 2.87Š|
| 474 | Q | 36.1 | Very low | 42.1 | Very low | 121 Ų | 121 | 71.2 Ų | 71.2 | 57% | 0.565 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -98 | 163.7 | 166.6 | -74 | -168 | -17.3 | 0 | 0 | 111.9 | C469 V471 | C469-Q474 PolarHBondContact SG-O 2.81Å; V471-Q474 PolarHBondContact O-N 2.92Å |
| 475 | T | 35.8 | Very low | 44.2 | Very low | 137 Ų | 137 | 76 Ų | 76 | 84% | 0.84 | 45% | 0.448 | S | S | * | . | trans | -87.3 | 142.4 | 177.5 | 45.7 | 0 | 0 | 0 | 0 | 111.8 | G477 | T475-G477 PolarHBondContact O-N 3.47Š| ||
| 476 | C | 38.7 | Very low | 46.6 | Very low | 50 Ų | 50 | 76.1 Ų | 76.1 | 34% | 0.338 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 42 | -164.1 | -58 | 0 | 0 | 0 | 0 | 115.4 | S468 C469 | S468-C476 VanDerWaalsContact C-SG 3.55Å; S468-C476 WeakPolarHBondContact CB-SG 3.46Å; S468-C476 CarbonylContact O-C 3.46Å; S468-C476 WeakPolarHBondContact O-CA 3.42Å; S468-C476 WeakPolarHBondContact O-CB 3.47Å; C469-C476 HydrophobicContact CB-CB 4.29Å; C469-C476 WeakPolarHBondContact CB-SG 3.49Å; C469-C476 WeakPolarHBondContact SG-CA 3.34Å; C469-C476 WeakPolarHBondContact SG-CB 3.5Å; C469-C476 PolarHBondContact SG-N 2.81Å; C469-C476 CovalentContact SG-SG 2.05Å; C469-C476 PolarHBondContact SG-SG 3.29Å |
| 477 | G | 33.6 | Very low | 48.8 | Very low | 66 Ų | 66 | 76.3 Ų | 76.3 | 68% | 0.68 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -32.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | T475 | T475-G477 PolarHBondContact O-N 3.47Š|
| 478 | N | 33.7 | Very low | 51 | Low | 122 Ų | 122 | 74.7 Ų | 74.7 | 65% | 0.652 | 45% | 0.451 | S | S | * | . | trans | -116.4 | 115.3 | -171.7 | -67.4 | -12.6 | 0 | 0 | 0 | 110.8 | I480 | N478-I480 HydrophobicContact CB-CD1 4.48Å; N478-I480 HydrophobicContact CB-CG1 3.84Å; N478-I480 PolarHBondContact O-N 3.22Å | ||
| 479 | I | 40.8 | Very low | 53.4 | Low | 121 Ų | 121 | 74.1 Ų | 74.1 | 62% | 0.621 | 45% | 0.446 | S | S | * | . | trans | -73.5 | 84.1 | 160.5 | -52.2 | 177.7 | 0 | 0 | 0 | 106.9 | L470 H481 | L470-I479 HydrophobicContact CD1-CG2 4.1Å; I479-H481 PolarHBondContact O-N 3.25Å | ||
| 480 | I | 43.1 | Very low | 55.9 | Low | 72 Ų | 72 | 73.7 Ų | 73.7 | 37% | 0.369 | 44% | 0.443 | S | S | . | . | trans | -72.5 | 78.8 | 170.2 | -49.5 | 177.6 | 0 | 0 | 0 | 108 | L470 N478 D482 | L470-I480 HydrophobicContact CD1-CB 4.33Å; L470-I480 WeakPolarHBondContact CD1-O 3.4Å; N478-I480 HydrophobicContact CB-CD1 4.48Å; N478-I480 HydrophobicContact CB-CG1 3.84Å; N478-I480 PolarHBondContact O-N 3.22Å; I480-D482 PolarHBondContact O-N 3.08Å | ||
| 481 | H | 48 | Very low | 58.4 | Low | 104 Ų | 104 | 74.8 Ų | 74.8 | 48% | 0.481 | 44% | 0.444 | S | S | . | . | trans | -56.3 | 113.9 | 133 | -66.1 | -92.2 | 0 | 0 | 0 | 105.2 | I479 | I479-H481 PolarHBondContact O-N 3.25Š| ||
| 482 | D | 51.7 | Low | 60.8 | Low | 66 Ų | 66 | 72 Ų | 72 | 35% | 0.353 | 43% | 0.43 | S | S | . | . | trans | -55.7 | 157.1 | 156.2 | -75.3 | -35.1 | 0 | 0 | 0 | 106.5 | I480 C484 V543 K544 | I480-D482 PolarHBondContact O-N 3.08Å; D482-C484 PolarHBondContact O-N 3.07Å; D482-V543 PolarHBondContact N-O 3.22Å; D482-K544 IonicContact OD2-NZ 2.79Å; D482-K544 PolarHBondContact OD2-NZ 2.7Å | ||
| 483 | S | 63.8 | Low | 63.4 | Low | 123 Ų | 123 | 68 Ų | 68 | 86% | 0.86 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -72 | 35.1 | -178.5 | 64.1 | 0 | 0 | 0 | 0 | 113.7 | K485 | S483-K485 PolarHBondContact O-N 2.79Š|
| 484 | C | 82.9 | Confident | 66 | Low | 9 Ų | 9 | 64.1 Ų | 64.1 | 6% | 0.061 | 36% | 0.363 | C | S | . | . | trans | -58.6 | 130.5 | 175 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | D482 C542 | D482-C484 PolarHBondContact O-N 3.07Å; C484-C542 HydrophobicContact CB-CB 3.8Å; C484-C542 WeakPolarHBondContact CB-SG 3.38Å; C484-C542 WeakPolarHBondContact SG-CB 3.29Å; C484-C542 CovalentContact SG-SG 2.03Å; C484-C542 PolarHBondContact SG-SG 2.92Å | ||
| 485 | K | 88.2 | Confident | 68.5 | Low | 110 Ų | 110 | 59.1 Ų | 59.1 | 48% | 0.478 | 34% | 0.34 | S | S | . | . | trans | -134.9 | 151.3 | 161.8 | -64 | -176.2 | 179.1 | -168.9 | 0 | 106.6 | S483 S523 D524 | S483-K485 PolarHBondContact O-N 2.79Å; K485-S523 CarbonylContact C-O 3.58Å; K485-S523 WeakPolarHBondContact CA-O 3.47Å; K485-S523 WeakPolarHBondContact CB-O 3.46Å; K485-S523 WeakPolarHBondContact CD-OG 3.1Å; K485-S523 WeakPolarHBondContact CE-OG 3.37Å; K485-D524 HydrophobicContact CG-CB 4.41Å | ||
| 486 | F | 88.5 | Confident | 71 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.009 | 30% | 0.3 | C | S | . | . | trans | -63.1 | 145.8 | 167.2 | -58.2 | -76.3 | 0 | 0 | 0 | 109 | Y491 I521 S523 L526 C542 Y554 L556 L572 | F486-Y491 HydrophobicContact CB-CE1 4.19Å; F486-Y491 VanDerWaalsContact O-CE1 3.24Å; F486-Y491 WeakPolarHBondContact O-CE1 3.07Å; F486-Y491 PolarHBondContact O-OH 2.82Å; F486-I521 HydrophobicContact CB-CG2 3.77Å; F486-I521 HydrophobicContact CD1-CG2 4.47Å; F486-I521 HydrophobicContact CD2-CG2 3.63Å; F486-I521 HydrophobicContact CE2-CG2 4.34Å; F486-I521 HydrophobicContact CG-CG2 3.7Å; F486-S523 VanDerWaalsContact CD2-O 3.32Å; F486-S523 WeakPolarHBondContact CD2-O 3.11Å; F486-S523 PolarHBondContact N-O 2.83Å; F486-L526 HydrophobicContact CE2-CB 4.07Å; F486-L526 HydrophobicContact CZ-CB 3.94Å; F486-C542 HydrophobicContact CZ-CB 4.44Å; F486-Y554 AromaticContact CD1-CD1 3.94Å; F486-Y554 HydrophobicContact CD1-CD1 3.94Å; F486-Y554 AromaticContact CD1-CD2 3.96Å; F486-Y554 HydrophobicContact CD1-CD2 3.96Å; F486-Y554 AromaticContact CD1-CE1 3.81Å; F486-Y554 HydrophobicContact CD1-CE1 3.81Å; F486-Y554 AromaticContact CD1-CE2 3.84Å; F486-Y554 HydrophobicContact CD1-CE2 3.84Å; F486-Y554 AromaticContact CD1-CG 3.99Å; F486-Y554 HydrophobicContact CD1-CG 3.99Å; F486-Y554 AromaticContact CD1-CZ 3.75Å; F486-Y554 HydrophobicContact CE1-CD1 4.11Å; F486-Y554 HydrophobicContact CE1-CD2 4.01Å; F486-Y554 HydrophobicContact CE1-CE1 4.45Å; F486-Y554 HydrophobicContact CE1-CE2 4.36Å; F486-Y554 AromaticContact CE1-CG 3.86Å; F486-Y554 HydrophobicContact CE1-CG 3.86Å; F486-L556 HydrophobicContact CE1-CD1 4.44Å; F486-L556 HydrophobicContact CE1-CD2 3.74Å; F486-L556 HydrophobicContact CZ-CD1 4.15Å; F486-L556 HydrophobicContact CZ-CD2 3.47Å; F486-L556 VanDerWaalsContact CZ-CD2 3.47Å; F486-L556 HydrophobicContact CZ-CG 4.48Å; F486-L572 HydrophobicContact CE1-CD2 3.98Å | ||
| 487 | H | 86.9 | Confident | 73.2 | Confident | 51 Ų | 51 | 51 Ų | 51 | 24% | 0.236 | 29% | 0.288 | C | S | . | . | trans | -57.3 | 137.3 | 174.9 | -73 | -63.5 | 0 | 0 | 0 | 110.7 | N489 Y490 E545 D552 Y554 R576 | H487-N489 PolarHBondContact O-N 3.47Å; H487-Y490 HydrophobicContact CB-CD2 3.87Å; H487-Y490 HydrophobicContact CB-CE2 3.93Å; H487-Y490 WeakPolarHBondContact O-CB 3.19Å; H487-Y490 PolarHBondContact O-N 3.42Å; H487-E545 IonicContact CD2-OE1 3.43Å; H487-E545 IonicContact CE1-OE1 3.55Å; H487-E545 PolarHBondContact CE1-OE1 2.66Å; H487-E545 IonicContact NE2-OE1 3.54Å; H487-E545 PolarHBondContact NE2-OE1 2.88Å; H487-D552 IonicContact CD2-OD1 3.61Å; H487-D552 IonicContact CD2-OD2 3.54Å; H487-D552 PolarHBondContact CD2-OD2 3.08Å; H487-D552 VanDerWaalsContact CD2-OD2 3.27Å; H487-D552 IonicContact NE2-OD1 2.69Å; H487-D552 IonicContact NE2-OD2 2.77Å; H487-Y554 PolarHBondContact CD2-OH 2.93Å; H487-Y554 VanDerWaalsContact CD2-OH 3.25Å; H487-Y554 PolarHBondContact N-OH 3.12Å; H487-R576 PolarHBondContact NE2-NH2 2.87Å | ||
| 488 | P | 85.2 | Confident | 75.3 | Confident | 63 Ų | 63 | 49.1 Ų | 49.1 | 41% | 0.409 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -55.5 | -31.4 | -171.7 | -28.9 | 35.9 | 0 | 0 | 0 | 114.8 | Y490 Y491 L585 | P488-Y490 PolarHBondContact O-N 2.9Å; P488-Y490 VanDerWaalsContact O-N 3.12Å; P488-Y491 HydrophobicContact CB-CD2 4.23Å; P488-Y491 HydrophobicContact CB-CE2 3.96Å; P488-Y491 HydrophobicContact CG-CE2 4.34Å; P488-Y491 WeakPolarHBondContact O-CB 3.45Å; P488-Y491 PolarHBondContact O-N 3.3Å; P488-L585 HydrophobicContact CB-CD2 4.36Å |
| 489 | N | 82.6 | Confident | 77 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -57.2 | -26.8 | 177.5 | -54.6 | 30.7 | 0 | 0 | 0 | 111.9 | H487 T584 S586 V588 R630 | H487-N489 PolarHBondContact O-N 3.47Å; N489-T584 PolarHBondContact ND2-O 2.99Å; N489-S586 PolarHBondContact ND2-O 3.05Å; N489-V588 HydrophobicContact CB-CG2 4.26Å; N489-V588 WeakPolarHBondContact O-CG2 3.26Å; N489-R630 PolarHBondContact O-NH2 2.8Å |
| 490 | Y | 87 | Confident | 78.3 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -85.1 | -6 | 177.1 | -56.3 | -45.8 | 0 | 0 | 0 | 114.8 | H487 P488 W494 I521 D552 I574 F582 V588 I591 | H487-Y490 HydrophobicContact CB-CD2 3.87Å; H487-Y490 HydrophobicContact CB-CE2 3.93Å; H487-Y490 WeakPolarHBondContact O-CB 3.19Å; H487-Y490 PolarHBondContact O-N 3.42Å; P488-Y490 PolarHBondContact O-N 2.9Å; P488-Y490 VanDerWaalsContact O-N 3.12Å; Y490-W494 PolarHBondContact O-NE1 2.97Å; Y490-I521 WeakPolarHBondContact O-CB 3.46Å; Y490-D552 HydrophobicContact CE2-CB 4.47Å; Y490-D552 WeakPolarHBondContact CE2-OD2 3.39Å; Y490-D552 PolarHBondContact OH-OD2 2.93Å; Y490-D552 VanDerWaalsContact OH-OD2 3.12Å; Y490-I574 HydrophobicContact CD1-CD1 4.38Å; Y490-I574 HydrophobicContact CD2-CD1 4.1Å; Y490-I574 HydrophobicContact CE1-CD1 4.36Å; Y490-I574 HydrophobicContact CE1-CG2 3.74Å; Y490-I574 HydrophobicContact CE2-CD1 4.09Å; Y490-I574 HydrophobicContact CE2-CG2 4.38Å; Y490-I574 HydrophobicContact CG-CD1 4.25Å; Y490-I574 WeakPolarHBondContact OH-CG2 3.03Å; Y490-F582 AromaticContact CE1-CE1 3.78Å; Y490-F582 HydrophobicContact CE1-CE1 3.78Å; Y490-F582 HydrophobicContact CE1-CZ 4.34Å; Y490-F582 AromaticContact CZ-CE1 3.75Å; Y490-F582 VanDerWaalsContact OH-CE1 3.27Å; Y490-F582 WeakPolarHBondContact OH-CE1 3.27Å; Y490-V588 HydrophobicContact CD1-CG2 4.43Å; Y490-I591 HydrophobicContact CD1-CD1 3.59Å; Y490-I591 HydrophobicContact CD1-CG1 4.02Å; Y490-I591 HydrophobicContact CE1-CD1 4.36Å; Y490-I591 HydrophobicContact CE1-CG1 4.41Å; Y490-I591 HydrophobicContact CG-CD1 4.19Å |
| 491 | Y | 89.3 | Confident | 78.9 | Confident | 73 Ų | 73 | 41 Ų | 41 | 29% | 0.286 | 23% | 0.23 | S | C | . | . | trans | -67.2 | 155.9 | -178.1 | -64 | -14.7 | 0 | 0 | 0 | 112.7 | F486 P488 I521 R630 | F486-Y491 HydrophobicContact CB-CE1 4.19Å; F486-Y491 VanDerWaalsContact O-CE1 3.24Å; F486-Y491 WeakPolarHBondContact O-CE1 3.07Å; F486-Y491 PolarHBondContact O-OH 2.82Å; P488-Y491 HydrophobicContact CB-CD2 4.23Å; P488-Y491 HydrophobicContact CB-CE2 3.96Å; P488-Y491 HydrophobicContact CG-CE2 4.34Å; P488-Y491 WeakPolarHBondContact O-CB 3.45Å; P488-Y491 PolarHBondContact O-N 3.3Å; Y491-I521 CarbonylContact C-O 3.6Å; Y491-I521 VanDerWaalsContact CA-O 3.31Å; Y491-I521 WeakPolarHBondContact CA-O 3.39Å; Y491-I521 HydrophobicContact CD1-CG2 4.2Å; Y491-R630 PolarHBondContact O-NH2 2.92Å | ||
| 492 | G | 88.4 | Confident | 78.7 | Confident | 14 Ų | 14 | 42.2 Ų | 42.2 | 14% | 0.144 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 110.2 | -168.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | W494 I521 | G492-W494 VanDerWaalsContact O-CD1 3.25Å; G492-I521 PolarHBondContact N-O 3.13Å; G492-I521 PolarHBondContact O-N 3.05Å |
| 493 | T | 90.2 | Very high | 78 | Confident | 27 Ų | 27 | 45.6 Ų | 45.6 | 17% | 0.166 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 133.4 | -176.5 | -50 | 0 | 0 | 0 | 0 | 110.8 | N631 D634 | T493-N631 HydrophobicContact CG2-CB 4Å; T493-N631 PolarHBondContact O-N 2.67Å; T493-D634 WeakPolarHBondContact CB-OD2 3.39Å; T493-D634 PolarHBondContact OG1-OD2 2.99Å |
| 494 | W | 90.9 | Very high | 76.6 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 135.2 | -173.3 | -58.9 | 92.8 | 0 | 0 | 0 | 111.5 | Y490 G492 Q518 F519 V588 I591 L628 I629 R630 | Y490-W494 PolarHBondContact O-NE1 2.97Å; G492-W494 VanDerWaalsContact O-CD1 3.25Å; W494-Q518 CarbonylContact O-C 3.57Å; W494-Q518 VanDerWaalsContact O-CA 3.27Å; W494-Q518 WeakPolarHBondContact O-CA 3.24Å; W494-F519 HydrophobicContact CB-CB 4.14Å; W494-F519 WeakPolarHBondContact CB-O 3.48Å; W494-F519 PolarHBondContact N-O 2.66Å; W494-F519 PolarHBondContact O-N 2.89Å; W494-V588 HydrophobicContact CH2-CG2 4.15Å; W494-V588 VanDerWaalsContact CH2-O 3.25Å; W494-V588 WeakPolarHBondContact CH2-O 3.06Å; W494-I591 HydrophobicContact CD2-CD1 3.92Å; W494-I591 HydrophobicContact CD2-CG1 4.39Å; W494-I591 HydrophobicContact CE3-CD1 4.13Å; W494-I591 HydrophobicContact CE3-CG1 4.09Å; W494-I591 HydrophobicContact CH2-CD1 3.75Å; W494-I591 HydrophobicContact CH2-CG1 3.65Å; W494-I591 HydrophobicContact CZ2-CD1 3.5Å; W494-I591 VanDerWaalsContact CZ2-CD1 3.5Å; W494-I591 HydrophobicContact CZ2-CG1 3.97Å; W494-I591 HydrophobicContact CZ3-CD1 4.06Å; W494-I591 HydrophobicContact CZ3-CG1 3.72Å; W494-L628 HydrophobicContact CB-CB 4.13Å; W494-L628 HydrophobicContact CB-CD1 4.21Å; W494-L628 HydrophobicContact CE3-CB 4.4Å; W494-I629 CarbonylContact C-O 3.56Å; W494-I629 WeakPolarHBondContact CA-O 3.44Å; W494-R630 HydrophobicContact CE3-CB 3.82Å; W494-R630 HydrophobicContact CH2-CB 4.15Å; W494-R630 VanDerWaalsContact CZ2-NH2 3.34Å; W494-R630 HydrophobicContact CZ3-CB 3.6Å; W494-R630 HydrophobicContact CZ3-CG 4.47Å |
| 495 | D | 89.4 | Confident | 74 | Confident | 16 Ų | 16 | 52.1 Ų | 52.1 | 9% | 0.086 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 128 | -174.8 | -65.8 | -42.3 | 0 | 0 | 0 | 111.6 | I497 L515 Q518 L628 I629 N631 | D495-I497 HydrophobicContact CB-CD1 4.36Å; D495-I497 HydrophobicContact CB-CG1 4.25Å; D495-L515 HydrophobicContact CB-CD1 3.61Å; D495-Q518 WeakPolarHBondContact OD1-CG 3.41Å; D495-Q518 PolarHBondContact OD1-NE2 3.46Å; D495-L628 WeakPolarHBondContact O-CA 3.46Å; D495-I629 PolarHBondContact N-O 3.09Å; D495-I629 PolarHBondContact O-N 3.07Å; D495-N631 PolarHBondContact OD1-ND2 3.02Å; D495-N631 VanDerWaalsContact OD2-CB 3.26Å; D495-N631 WeakPolarHBondContact OD2-CB 3.41Å; D495-N631 PolarHBondContact OD2-ND2 2.78Å |
| 496 | L | 88.1 | Confident | 71 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 107.9 | 167.9 | 179.5 | 64.7 | 0 | 0 | 0 | 109 | I516 A517 F519 Y593 I620 N626 L628 | L496-I516 PolarHBondContact O-N 2.6Å; L496-A517 HydrophobicContact CB-CB 4.16Å; L496-A517 HydrophobicContact CD2-CB 4.22Å; L496-A517 PolarHBondContact N-O 2.99Å; L496-A517 PolarHBondContact O-N 3.15Å; L496-F519 HydrophobicContact CB-CE2 4.3Å; L496-F519 HydrophobicContact CD2-CE2 4.38Å; L496-Y593 HydrophobicContact CD1-CE1 4.37Å; L496-I620 HydrophobicContact CD2-CG1 4.39Å; L496-N626 HydrophobicContact CD1-CB 4.13Å; L496-L628 HydrophobicContact CB-CD2 3.71Å; L496-L628 HydrophobicContact CD1-CD2 4.26Å |
| 497 | I | 84.2 | Confident | 68.2 | Low | 16 Ų | 16 | 58.9 Ų | 58.9 | 8% | 0.082 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 131.2 | -177.7 | -61.9 | 172.2 | 0 | 0 | 0 | 109 | D495 R514 L515 Y789 P826 Q827 | D495-I497 HydrophobicContact CB-CD1 4.36Å; D495-I497 HydrophobicContact CB-CG1 4.25Å; I497-R514 WeakPolarHBondContact CA-O 3.43Å; I497-L515 HydrophobicContact CG1-CD1 4.24Å; I497-Y789 HydrophobicContact CD1-CD2 3.77Å; I497-Y789 HydrophobicContact CD1-CE2 3.63Å; I497-P826 HydrophobicContact CB-CG 3.87Å; I497-P826 HydrophobicContact CG2-CG 3.97Å; I497-Q827 VanDerWaalsContact O-CG 3.3Å; I497-Q827 WeakPolarHBondContact O-CG 3.39Å; I497-Q827 PolarHBondContact O-NE2 3.12Å |
| 498 | E | 78.8 | Confident | 65.6 | Low | 28 Ų | 28 | 65.6 Ų | 65.6 | 13% | 0.131 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 165.8 | -178.6 | -68.9 | -163 | 176.2 | 0 | 0 | 111.5 | S513 R514 I516 T619 Q827 | E498-S513 CarbonylContact O-C 3.47Å; E498-S513 WeakPolarHBondContact O-CA 3.47Å; E498-R514 PolarHBondContact N-O 3.01Å; E498-R514 PolarHBondContact O-N 3Å; E498-I516 HydrophobicContact CB-CD1 3.66Å; E498-I516 HydrophobicContact CB-CG1 4.21Å; E498-I516 HydrophobicContact CG-CD1 3.99Å; E498-I516 HydrophobicContact CG-CG1 4.49Å; E498-I516 WeakPolarHBondContact OE2-CD1 3Å; E498-T619 VanDerWaalsContact OE1-CB 3.31Å; E498-T619 WeakPolarHBondContact OE1-CB 3.08Å; E498-T619 WeakPolarHBondContact OE1-CG2 3.39Å; E498-T619 WeakPolarHBondContact OE2-CG2 3.47Å; E498-Q827 HydrophobicContact CG-CG 4.1Å |
| 499 | P | 70.1 | Confident | 63.3 | Low | 51 Ų | 51 | 71.4 Ų | 71.4 | 33% | 0.331 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 143.2 | 172.2 | -6.3 | 21.2 | 0 | 0 | 0 | 110.6 | S501 S825 | P499-S501 PolarHBondContact O-N 2.95Å; P499-S825 WeakPolarHBondContact CD-OG 3.06Å |
| 500 | S | 66.1 | Low | 61.6 | Low | 30 Ų | 30 | 76.3 Ų | 76.3 | 21% | 0.21 | 40% | 0.399 | C | S | . | . | trans | -63.5 | 120.2 | 164.6 | -71.5 | 0 | 0 | 0 | 0 | 109.3 | I502 S512 | S500-I502 PolarHBondContact O-N 2.97Å; S500-S512 VanDerWaalsContact CB-O 3.27Å; S500-S512 WeakPolarHBondContact CB-O 3.31Å; S500-S512 WeakPolarHBondContact CB-OG 3.31Å; S500-S512 PolarHBondContact N-O 3.46Å; S500-S512 PolarHBondContact OG-O 2.76Å; S500-S512 VanDerWaalsContact OG-O 3.13Å; S500-S512 PolarHBondContact OG-OG 3.11Å | ||
| 501 | S | 56.3 | Low | 60.1 | Low | 62 Ų | 62 | 78 Ų | 78 | 43% | 0.434 | 41% | 0.41 | S | S | . | . | trans | -65.8 | 112.1 | 174.8 | 51.4 | 0 | 0 | 0 | 0 | 109.3 | P499 Q503 R514 | P499-S501 PolarHBondContact O-N 2.95Å; S501-Q503 PolarHBondContact O-N 2.81Å; S501-R514 PolarHBondContact OG-NH2 2.93Å | ||
| 502 | I | 43.9 | Very low | 58.8 | Low | 131 Ų | 131 | 76.9 Ų | 76.9 | 67% | 0.672 | 41% | 0.413 | S | S | * | . | trans | -59.7 | 109.6 | 176.9 | -57.4 | 172.4 | 0 | 0 | 0 | 108.2 | S500 | S500-I502 PolarHBondContact O-N 2.97Š| ||
| 503 | Q | 37.6 | Very low | 57.9 | Low | 137 Ų | 137 | 77.4 Ų | 77.4 | 64% | 0.64 | 42% | 0.415 | S | S | * | . | trans | -78.5 | 121.1 | 163.6 | -74.3 | -175.8 | -28.2 | 0 | 0 | 107.4 | S501 S505 | S501-Q503 PolarHBondContact O-N 2.81Å; Q503-S505 PolarHBondContact O-N 3.11Å | ||
| 504 | E | 33.1 | Very low | 57.4 | Low | 182 Ų | 182 | 81.1 Ų | 81.1 | 85% | 0.85 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -66.7 | -3.9 | -178.6 | -60.4 | 176.4 | 145.5 | 0 | 0 | 113 | M506 | E504-M506 PolarHBondContact O-N 2.04Å; E504-M506 VanDerWaalsContact O-N 3.17Å |
| 505 | S | 28.1 | Very low | 56.9 | Low | 87 Ų | 87 | 84.3 Ų | 84.3 | 61% | 0.608 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -85.1 | 79.7 | -178.8 | 56.8 | 0 | 0 | 0 | 0 | 113.6 | Q503 | Q503-S505 PolarHBondContact O-N 3.11Š|
| 506 | M | 26.6 | Very low | 56.4 | Low | 192 Ų | 192 | 83.7 Ų | 83.7 | 95% | 0.946 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 55.3 | 73.8 | 158.1 | -56.2 | -150.9 | -55.1 | 0 | 0 | 117.7 | E504 | E504-M506 PolarHBondContact O-N 2.04Å; E504-M506 VanDerWaalsContact O-N 3.17Å |
| 507 | G | 29.1 | Very low | 56.3 | Low | 61 Ų | 61 | 83.7 Ų | 83.7 | 63% | 0.629 | 44% | 0.439 | S | S | * | . | trans | 176.5 | 98.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E509 | G507-E509 VanDerWaalsContact C-N 3.28Å; G507-E509 PolarHBondContact O-N 3.24Å | ||
| 508 | Y | 32.9 | Very low | 56.5 | Low | 193 Ų | 193 | 85.4 Ų | 85.4 | 76% | 0.757 | 45% | 0.447 | S | S | * | . | trans | -79.1 | 72.1 | -179 | -68.4 | -69.8 | 0 | 0 | 0 | 112.2 | T665 | Y508-T665 HydrophobicContact CD1-CG2 3.37Å; Y508-T665 HydrophobicContact CD2-CG2 4.01Å; Y508-T665 HydrophobicContact CE1-CG2 3.7Å; Y508-T665 HydrophobicContact CE2-CG2 4.31Å; Y508-T665 HydrophobicContact CG-CG2 3.53Å | ||
| 509 | E | 36 | Very low | 57.1 | Low | 185 Ų | 185 | 84.1 Ų | 84.1 | 86% | 0.864 | 44% | 0.441 | S | S | * | . | trans | -88 | 152.5 | 161.9 | -63.9 | -166.5 | 159.6 | 0 | 0 | 110.5 | G507 | G507-E509 VanDerWaalsContact C-N 3.28Å; G507-E509 PolarHBondContact O-N 3.24Å | ||
| 510 | H | 48.2 | Very low | 58.2 | Low | 115 Ų | 115 | 85.4 Ų | 85.4 | 53% | 0.532 | 44% | 0.444 | S | S | . | . | trans | -59.9 | 150.3 | 179.9 | -74.3 | -65.7 | 0 | 0 | 0 | 111.9 | S512 | H510-S512 VanDerWaalsContact C-N 3.27Å; H510-S512 PolarHBondContact O-N 3.39Å | ||
| 511 | P | 55.1 | Low | 59.4 | Low | 37 Ų | 37 | 84.2 Ų | 84.2 | 24% | 0.24 | 44% | 0.436 | C | S | . | . | trans | -65.9 | 87.8 | 172.2 | 29 | -35.1 | 0 | 0 | 0 | 110.3 | H824 | P511-H824 HydrophobicContact CG-CB 4.5Š| ||
| 512 | S | 62.6 | Low | 61 | Low | 50 Ų | 50 | 88.4 Ų | 88.4 | 35% | 0.35 | 45% | 0.446 | S | S | . | . | trans | -71.2 | 159.8 | 175 | 55.4 | 0 | 0 | 0 | 0 | 111.1 | S500 H510 | S500-S512 VanDerWaalsContact CB-O 3.27Å; S500-S512 WeakPolarHBondContact CB-O 3.31Å; S500-S512 WeakPolarHBondContact CB-OG 3.31Å; S500-S512 PolarHBondContact N-O 3.46Å; S500-S512 PolarHBondContact OG-O 2.76Å; S500-S512 VanDerWaalsContact OG-O 3.13Å; S500-S512 PolarHBondContact OG-OG 3.11Å; H510-S512 VanDerWaalsContact C-N 3.27Å; H510-S512 PolarHBondContact O-N 3.39Å | ||
| 513 | S | 69.3 | Low | 63.2 | Low | 26 Ų | 26 | 83.6 Ų | 83.6 | 18% | 0.182 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 123 | 169.2 | 60 | 0 | 0 | 0 | 0 | 109.5 | E498 | E498-S513 CarbonylContact O-C 3.47Å; E498-S513 WeakPolarHBondContact O-CA 3.47Å |
| 514 | R | 78.7 | Confident | 65.6 | Low | 104 Ų | 104 | 79.8 Ų | 79.8 | 39% | 0.392 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 143.5 | -177.8 | 62.9 | 175 | -179 | 171.3 | -0.4 | 112.4 | I497 E498 S501 I516 | I497-R514 WeakPolarHBondContact CA-O 3.43Å; E498-R514 PolarHBondContact N-O 3.01Å; E498-R514 PolarHBondContact O-N 3Å; S501-R514 PolarHBondContact OG-NH2 2.93Å; R514-I516 HydrophobicContact CG-CD1 4.32Å; R514-I516 HydrophobicContact CG-CG1 4.03Å |
| 515 | L | 81.1 | Confident | 68.4 | Low | 67 Ų | 67 | 73.7 Ų | 73.7 | 35% | 0.351 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 126.1 | 168.3 | -178.3 | 66 | 0 | 0 | 0 | 109.4 | D495 I497 A517 Q518 M531 | D495-L515 HydrophobicContact CB-CD1 3.61Å; I497-L515 HydrophobicContact CG1-CD1 4.24Å; L515-A517 WeakPolarHBondContact CD1-O 3.27Å; L515-Q518 HydrophobicContact CD1-CG 4.33Å; L515-Q518 HydrophobicContact CD2-CG 4.16Å; L515-M531 HydrophobicContact CD2-CG 3.97Å; L515-M531 HydrophobicContact CG-CB 4.42Å; L515-M531 HydrophobicContact CG-CG 4.11Å |
| 516 | I | 79.1 | Confident | 71.4 | Confident | 4 Ų | 4 | 69.6 Ų | 69.6 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | -32.6 | -179.9 | -67.2 | -161.3 | 0 | 0 | 0 | 112.4 | L496 E498 R514 S530 M531 T532 | L496-I516 PolarHBondContact O-N 2.6Å; E498-I516 HydrophobicContact CB-CD1 3.66Å; E498-I516 HydrophobicContact CB-CG1 4.21Å; E498-I516 HydrophobicContact CG-CD1 3.99Å; E498-I516 HydrophobicContact CG-CG1 4.49Å; E498-I516 WeakPolarHBondContact OE2-CD1 3Å; R514-I516 HydrophobicContact CG-CD1 4.32Å; R514-I516 HydrophobicContact CG-CG1 4.03Å; I516-S530 PolarHBondContact O-OG 3.1Å; I516-M531 PolarHBondContact O-N 2.9Å; I516-T532 HydrophobicContact CG2-CG2 4.08Å |
| 517 | A | 84.7 | Confident | 74.4 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 159.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | L496 L515 F519 V528 S529 I620 | L496-A517 HydrophobicContact CB-CB 4.16Å; L496-A517 HydrophobicContact CD2-CB 4.22Å; L496-A517 PolarHBondContact N-O 2.99Å; L496-A517 PolarHBondContact O-N 3.15Å; L515-A517 WeakPolarHBondContact CD1-O 3.27Å; A517-F519 HydrophobicContact CB-CD2 4.44Å; A517-F519 HydrophobicContact CB-CE2 4.04Å; A517-V528 HydrophobicContact CB-CG1 4.47Å; A517-S529 CarbonylContact C-O 3.52Å; A517-S529 WeakPolarHBondContact CA-O 3.4Å; A517-I620 HydrophobicContact CB-CD1 3.89Å; A517-I620 HydrophobicContact CB-CG1 3.82Å |
| 518 | Q | 89.6 | Confident | 77.2 | Confident | 51 Ų | 51 | 58.8 Ų | 58.8 | 24% | 0.238 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 136.6 | 170.1 | -58.9 | -165.2 | -62.8 | 0 | 0 | 110.3 | W494 D495 L515 V528 S529 M531 | W494-Q518 CarbonylContact O-C 3.57Å; W494-Q518 VanDerWaalsContact O-CA 3.27Å; W494-Q518 WeakPolarHBondContact O-CA 3.24Å; D495-Q518 WeakPolarHBondContact OD1-CG 3.41Å; D495-Q518 PolarHBondContact OD1-NE2 3.46Å; L515-Q518 HydrophobicContact CD1-CG 4.33Å; L515-Q518 HydrophobicContact CD2-CG 4.16Å; Q518-V528 CarbonylContact O-C 3.44Å; Q518-V528 WeakPolarHBondContact O-CA 2.91Å; Q518-S529 PolarHBondContact N-O 3.28Å; Q518-S529 PolarHBondContact O-N 3.17Å; Q518-M531 HydrophobicContact CG-CE 4.15Å; Q518-M531 HydrophobicContact CG-CG 4.48Å |
| 519 | F | 91.5 | Very high | 79.8 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.009 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 113.3 | 179.9 | -74.3 | -121.4 | 0 | 0 | 0 | 107.9 | W494 L496 A517 L526 T527 V528 Y593 I595 I620 L628 | W494-F519 HydrophobicContact CB-CB 4.14Å; W494-F519 WeakPolarHBondContact CB-O 3.48Å; W494-F519 PolarHBondContact N-O 2.66Å; W494-F519 PolarHBondContact O-N 2.89Å; L496-F519 HydrophobicContact CB-CE2 4.3Å; L496-F519 HydrophobicContact CD2-CE2 4.38Å; A517-F519 HydrophobicContact CB-CD2 4.44Å; A517-F519 HydrophobicContact CB-CE2 4.04Å; F519-L526 HydrophobicContact CB-CD1 3.94Å; F519-L526 HydrophobicContact CD1-CD1 3.74Å; F519-L526 HydrophobicContact CD1-CD2 4.19Å; F519-L526 HydrophobicContact CG-CD1 4.25Å; F519-T527 CarbonylContact C-O 3.46Å; F519-T527 WeakPolarHBondContact CA-O 3.49Å; F519-V528 HydrophobicContact CD1-CG2 3.71Å; F519-V528 HydrophobicContact CD2-CG1 4.06Å; F519-V528 HydrophobicContact CE1-CG1 4.25Å; F519-V528 HydrophobicContact CE1-CG2 3.71Å; F519-V528 HydrophobicContact CE2-CG1 3.76Å; F519-V528 HydrophobicContact CG-CG1 4.41Å; F519-V528 HydrophobicContact CG-CG2 4.16Å; F519-V528 HydrophobicContact CZ-CG1 3.86Å; F519-V528 HydrophobicContact CZ-CG2 4.17Å; F519-Y593 AromaticContact CE1-CE2 3.97Å; F519-Y593 HydrophobicContact CE1-CE2 3.97Å; F519-Y593 AromaticContact CZ-CE2 4Å; F519-Y593 HydrophobicContact CZ-CE2 4Å; F519-Y593 AromaticContact CZ-CZ 3.86Å; F519-Y593 WeakPolarHBondContact CZ-OH 3.35Å; F519-I595 HydrophobicContact CE1-CD1 4.19Å; F519-I620 HydrophobicContact CZ-CG2 4.21Å; F519-L628 HydrophobicContact CB-CD1 4.16Å; F519-L628 HydrophobicContact CD1-CD1 4.12Å; F519-L628 HydrophobicContact CD2-CD1 4.4Å; F519-L628 HydrophobicContact CD2-CD2 3.73Å; F519-L628 HydrophobicContact CE2-CD2 4.02Å; F519-L628 HydrophobicContact CG-CD1 4.01Å; F519-L628 HydrophobicContact CG-CD2 4.18Å |
| 520 | L | 92.5 | Very high | 81.9 | Confident | 78 Ų | 78 | 42.4 Ų | 42.4 | 41% | 0.408 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 112.5 | 174.4 | 172.6 | 62.8 | 0 | 0 | 0 | 109.2 | L526 T527 | L520-L526 CarbonylContact O-C 3.6Å; L520-L526 WeakPolarHBondContact O-CA 3.31Å; L520-T527 PolarHBondContact N-O 2.59Å; L520-T527 PolarHBondContact O-N 3.26Å |
| 521 | I | 91.9 | Very high | 83 | Confident | 5 Ų | 5 | 41.3 Ų | 41.3 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 127.3 | -179.4 | -58.9 | 175.7 | 0 | 0 | 0 | 109.2 | F486 Y490 Y491 G492 L526 I591 | F486-I521 HydrophobicContact CB-CG2 3.77Å; F486-I521 HydrophobicContact CD1-CG2 4.47Å; F486-I521 HydrophobicContact CD2-CG2 3.63Å; F486-I521 HydrophobicContact CE2-CG2 4.34Å; F486-I521 HydrophobicContact CG-CG2 3.7Å; Y490-I521 WeakPolarHBondContact O-CB 3.46Å; Y491-I521 CarbonylContact C-O 3.6Å; Y491-I521 VanDerWaalsContact CA-O 3.31Å; Y491-I521 WeakPolarHBondContact CA-O 3.39Å; Y491-I521 HydrophobicContact CD1-CG2 4.2Å; G492-I521 PolarHBondContact N-O 3.13Å; G492-I521 PolarHBondContact O-N 3.05Å; I521-L526 HydrophobicContact CG1-CD1 3.74Å; I521-I591 HydrophobicContact CD1-CD1 4.27Å |
| 522 | K | 90.6 | Very high | 83.5 | Confident | 150 Ų | 150 | 42 Ų | 42 | 65% | 0.652 | 22% | 0.217 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 120.4 | 179.8 | -175.5 | 175.4 | -179.3 | 175.6 | 0 | 112.2 | D524 K525 | K522-D524 PolarHBondContact O-N 2.84Å; K522-K525 PolarHBondContact N-O 2.78Å; K522-K525 PolarHBondContact O-N 2.96Å |
| 523 | S | 88.9 | Confident | 83.1 | Confident | 29 Ų | 29 | 47.9 Ų | 47.9 | 20% | 0.203 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | -107.8 | -178.2 | -176.1 | 0 | 0 | 0 | 0 | 111 | K485 F486 | K485-S523 CarbonylContact C-O 3.58Å; K485-S523 WeakPolarHBondContact CA-O 3.47Å; K485-S523 WeakPolarHBondContact CB-O 3.46Å; K485-S523 WeakPolarHBondContact CD-OG 3.1Å; K485-S523 WeakPolarHBondContact CE-OG 3.37Å; F486-S523 VanDerWaalsContact CD2-O 3.32Å; F486-S523 WeakPolarHBondContact CD2-O 3.11Å; F486-S523 PolarHBondContact N-O 2.83Å |
| 524 | D | 89.3 | Confident | 82.5 | Confident | 57 Ų | 57 | 50.1 Ų | 50.1 | 31% | 0.305 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -4.2 | -178.3 | 48.4 | -73.3 | 0 | 0 | 0 | 112.3 | K485 K522 Y541 C542 | K485-D524 HydrophobicContact CG-CB 4.41Å; K522-D524 PolarHBondContact O-N 2.84Å; D524-Y541 CarbonylContact O-C 3.57Å; D524-Y541 WeakPolarHBondContact O-CA 3.29Å; D524-C542 PolarHBondContact O-N 3.02Å |
| 525 | K | 91.1 | Very high | 81.8 | Confident | 55 Ų | 55 | 49.9 Ų | 49.9 | 24% | 0.239 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 133.8 | -176 | -170.7 | 171.1 | -173 | 155.8 | 0 | 112.7 | K522 T527 N539 L540 Y541 | K522-K525 PolarHBondContact N-O 2.78Å; K522-K525 PolarHBondContact O-N 2.96Å; K525-T527 WeakPolarHBondContact CE-OG1 3.48Å; K525-N539 WeakPolarHBondContact CE-OD1 3.48Å; K525-N539 PolarHBondContact NZ-ND2 2.88Å; K525-N539 PolarHBondContact NZ-OD1 3.44Å; K525-L540 WeakPolarHBondContact CA-O 3.2Å; K525-Y541 HydrophobicContact CB-CD1 4.27Å; K525-Y541 HydrophobicContact CB-CE1 4.36Å; K525-Y541 HydrophobicContact CD-CD1 4.44Å; K525-Y541 HydrophobicContact CD-CE1 3.74Å; K525-Y541 HydrophobicContact CG-CD1 4.24Å; K525-Y541 HydrophobicContact CG-CE1 4.03Å; K525-Y541 PolarHBondContact NZ-OH 3.46Å |
| 526 | L | 91.5 | Very high | 81.4 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.5 | 161.4 | 164.3 | 61.7 | 0 | 0 | 0 | 107.8 | F486 F519 L520 I521 V528 L540 L556 L572 | F486-L526 HydrophobicContact CE2-CB 4.07Å; F486-L526 HydrophobicContact CZ-CB 3.94Å; F519-L526 HydrophobicContact CB-CD1 3.94Å; F519-L526 HydrophobicContact CD1-CD1 3.74Å; F519-L526 HydrophobicContact CD1-CD2 4.19Å; F519-L526 HydrophobicContact CG-CD1 4.25Å; L520-L526 CarbonylContact O-C 3.6Å; L520-L526 WeakPolarHBondContact O-CA 3.31Å; I521-L526 HydrophobicContact CG1-CD1 3.74Å; L526-V528 HydrophobicContact CD1-CG2 4Å; L526-V528 HydrophobicContact CD2-CG2 4.15Å; L526-V528 HydrophobicContact CG-CG2 3.96Å; L526-L540 HydrophobicContact CB-CB 4.18Å; L526-L540 HydrophobicContact CD2-CD1 3.78Å; L526-L540 HydrophobicContact CG-CB 4.5Å; L526-L540 HydrophobicContact CG-CD1 4.19Å; L526-L540 PolarHBondContact N-O 2.88Å; L526-L540 WeakPolarHBondContact O-CA 3.3Å; L526-L540 PolarHBondContact O-N 3.28Å; L526-L556 HydrophobicContact CD2-CD1 3.82Å; L526-L572 HydrophobicContact CD2-CD2 4.44Å |
| 527 | T | 90 | Very high | 81.4 | Confident | 24 Ų | 24 | 51.1 Ų | 51.1 | 15% | 0.147 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 125.8 | 171.8 | -52 | 0 | 0 | 0 | 0 | 108.5 | F519 L520 K525 T537 M538 N539 | F519-T527 CarbonylContact C-O 3.46Å; F519-T527 WeakPolarHBondContact CA-O 3.49Å; L520-T527 PolarHBondContact N-O 2.59Å; L520-T527 PolarHBondContact O-N 3.26Å; K525-T527 WeakPolarHBondContact CE-OG1 3.48Å; T527-T537 HydrophobicContact CG2-CG2 3.44Å; T527-T537 VanDerWaalsContact CG2-CG2 3.44Å; T527-M538 CarbonylContact C-O 3.57Å; T527-M538 WeakPolarHBondContact CA-O 3.15Å; T527-N539 WeakPolarHBondContact CG2-OD1 3.38Å |
| 528 | V | 87.9 | Confident | 81.1 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 123 | 179.7 | -173.3 | 0 | 0 | 0 | 0 | 109.2 | A517 Q518 F519 L526 T537 M538 L540 I620 | A517-V528 HydrophobicContact CB-CG1 4.47Å; Q518-V528 CarbonylContact O-C 3.44Å; Q518-V528 WeakPolarHBondContact O-CA 2.91Å; F519-V528 HydrophobicContact CD1-CG2 3.71Å; F519-V528 HydrophobicContact CD2-CG1 4.06Å; F519-V528 HydrophobicContact CE1-CG1 4.25Å; F519-V528 HydrophobicContact CE1-CG2 3.71Å; F519-V528 HydrophobicContact CE2-CG1 3.76Å; F519-V528 HydrophobicContact CG-CG1 4.41Å; F519-V528 HydrophobicContact CG-CG2 4.16Å; F519-V528 HydrophobicContact CZ-CG1 3.86Å; F519-V528 HydrophobicContact CZ-CG2 4.17Å; L526-V528 HydrophobicContact CD1-CG2 4Å; L526-V528 HydrophobicContact CD2-CG2 4.15Å; L526-V528 HydrophobicContact CG-CG2 3.96Å; V528-T537 CarbonylContact O-C 3.51Å; V528-T537 VanDerWaalsContact O-CA 3.31Å; V528-T537 WeakPolarHBondContact O-CA 3.5Å; V528-M538 PolarHBondContact N-O 3.26Å; V528-M538 PolarHBondContact O-N 3.18Å; V528-L540 HydrophobicContact CG2-CD1 4.49Å; V528-I620 HydrophobicContact CG1-CG2 3.81Å |
| 529 | S | 86.3 | Confident | 80.9 | Confident | 29 Ų | 29 | 50.7 Ų | 50.7 | 20% | 0.203 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 122.6 | 177.6 | -70.5 | 0 | 0 | 0 | 0 | 110.4 | A517 Q518 Y536 T537 | A517-S529 CarbonylContact C-O 3.52Å; A517-S529 WeakPolarHBondContact CA-O 3.4Å; Q518-S529 PolarHBondContact N-O 3.28Å; Q518-S529 PolarHBondContact O-N 3.17Å; S529-Y536 CarbonylContact C-O 3.48Å; S529-Y536 VanDerWaalsContact CA-O 3.25Å; S529-Y536 WeakPolarHBondContact CA-O 3.45Å; S529-T537 WeakPolarHBondContact OG-CG2 3.27Å; S529-T537 PolarHBondContact OG-OG1 3.43Å |
| 530 | S | 79.2 | Confident | 80.6 | Confident | 5 Ų | 5 | 50.7 Ų | 50.7 | 4% | 0.035 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 141.5 | 174.1 | -169.2 | 0 | 0 | 0 | 0 | 111.8 | I516 T532 Y536 | I516-S530 PolarHBondContact O-OG 3.1Å; S530-T532 PolarHBondContact OG-N 3.18Å; S530-T532 PolarHBondContact OG-OG1 3.18Å; S530-T532 VanDerWaalsContact OG-OG1 3.04Å; S530-Y536 VanDerWaalsContact CB-CD1 3.41Å; S530-Y536 PolarHBondContact N-O 3.4Å |
| 531 | M | 71.8 | Confident | 80.4 | Confident | 92 Ų | 92 | 49.8 Ų | 49.8 | 45% | 0.453 | 27% | 0.267 | S | S | . | . | trans | -106.4 | 13.9 | 177.8 | -62.6 | -65.9 | 148.2 | 0 | 0 | 112.3 | L515 I516 Q518 | L515-M531 HydrophobicContact CD2-CG 3.97Å; L515-M531 HydrophobicContact CG-CB 4.42Å; L515-M531 HydrophobicContact CG-CG 4.11Å; I516-M531 PolarHBondContact O-N 2.9Å; Q518-M531 HydrophobicContact CG-CE 4.15Å; Q518-M531 HydrophobicContact CG-CG 4.48Å | ||
| 532 | T | 66.1 | Low | 80.2 | Confident | 53 Ų | 53 | 49.6 Ų | 49.6 | 33% | 0.325 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -79.5 | 170.6 | 170.9 | 61.5 | 0 | 0 | 0 | 0 | 110.9 | I516 S530 I534 S535 | I516-T532 HydrophobicContact CG2-CG2 4.08Å; S530-T532 PolarHBondContact OG-N 3.18Å; S530-T532 PolarHBondContact OG-OG1 3.18Å; S530-T532 VanDerWaalsContact OG-OG1 3.04Å; T532-I534 CarbonylContact O-C 3.48Å; T532-I534 PolarHBondContact O-N 3.42Å; T532-S535 PolarHBondContact O-N 3.1Å; T532-S535 VanDerWaalsContact O-N 3.13Å |
| 533 | D | 54 | Low | 79.7 | Confident | 173 Ų | 173 | 43.2 Ų | 43.2 | 93% | 0.925 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -53 | -26.6 | -178.4 | -44.8 | -70.3 | 0 | 0 | 0 | 113.3 | S535 | D533-S535 PolarHBondContact O-N 3.44Š|
| 534 | I | 57.6 | Low | 79.4 | Confident | 73 Ų | 73 | 44.8 Ų | 44.8 | 37% | 0.374 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -96.7 | 74.5 | 169.7 | -51.7 | 179.9 | 0 | 0 | 0 | 108.2 | L275 T532 Y536 | L275-I534 HydrophobicContact CD1-CD1 4.3Å; L275-I534 HydrophobicContact CD1-CG2 3.86Å; L275-I534 HydrophobicContact CG-CD1 4.36Å; T532-I534 CarbonylContact O-C 3.48Å; T532-I534 PolarHBondContact O-N 3.42Å; I534-Y536 PolarHBondContact O-N 3.31Å |
| 535 | S | 64.2 | Low | 79.1 | Confident | 98 Ų | 98 | 44.5 Ų | 44.5 | 69% | 0.685 | 24% | 0.24 | S | C | * | . | trans | -60.3 | 124.3 | 176.7 | 64 | 0 | 0 | 0 | 0 | 110.4 | T532 D533 | T532-S535 PolarHBondContact O-N 3.1Å; T532-S535 VanDerWaalsContact O-N 3.13Å; D533-S535 PolarHBondContact O-N 3.44Å | ||
| 536 | Y | 72.1 | Confident | 78.5 | Confident | 19 Ų | 19 | 44.2 Ų | 44.2 | 8% | 0.075 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 153.5 | 177.9 | 78.2 | -89.4 | 0 | 0 | 0 | 112.1 | L311 S529 S530 I534 M538 R618 I620 | L311-Y536 HydrophobicContact CD1-CD1 4.14Å; L311-Y536 HydrophobicContact CD1-CD2 3.67Å; L311-Y536 HydrophobicContact CD1-CE2 4.45Å; L311-Y536 HydrophobicContact CD1-CG 3.46Å; L311-Y536 VanDerWaalsContact CD1-CG 3.46Å; S529-Y536 CarbonylContact C-O 3.48Å; S529-Y536 VanDerWaalsContact CA-O 3.25Å; S529-Y536 WeakPolarHBondContact CA-O 3.45Å; S530-Y536 VanDerWaalsContact CB-CD1 3.41Å; S530-Y536 PolarHBondContact N-O 3.4Å; I534-Y536 PolarHBondContact O-N 3.31Å; Y536-M538 HydrophobicContact CE2-CB 4.4Å; Y536-R618 PolarHBondContact OH-NH1 3.44Å; Y536-I620 HydrophobicContact CE1-CD1 4.04Å; Y536-I620 VanDerWaalsContact OH-CD1 3.28Å; Y536-I620 WeakPolarHBondContact OH-CD1 3.49Å |
| 537 | T | 78 | Confident | 77.4 | Confident | 78 Ų | 78 | 49.9 Ų | 49.9 | 48% | 0.479 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 128.5 | 176.2 | -58.7 | 0 | 0 | 0 | 0 | 110.2 | T527 V528 S529 Q561 | T527-T537 HydrophobicContact CG2-CG2 3.44Å; T527-T537 VanDerWaalsContact CG2-CG2 3.44Å; V528-T537 CarbonylContact O-C 3.51Å; V528-T537 VanDerWaalsContact O-CA 3.31Å; V528-T537 WeakPolarHBondContact O-CA 3.5Å; S529-T537 WeakPolarHBondContact OG-CG2 3.27Å; S529-T537 PolarHBondContact OG-OG1 3.43Å; T537-Q561 PolarHBondContact O-NE2 3.29Å |
| 538 | M | 79.8 | Confident | 76.3 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131.8 | 174.2 | -174.1 | -178.3 | 60 | 0 | 0 | 110.2 | M310 T527 V528 Y536 L540 L570 Y621 | M310-M538 HydrophobicContact CG-SD 4.08Å; M310-M538 HydrophobicContact SD-SD 3.85Å; T527-M538 CarbonylContact C-O 3.57Å; T527-M538 WeakPolarHBondContact CA-O 3.15Å; V528-M538 PolarHBondContact N-O 3.26Å; V528-M538 PolarHBondContact O-N 3.18Å; Y536-M538 HydrophobicContact CE2-CB 4.4Å; M538-L540 HydrophobicContact CE-CD1 3.63Å; M538-L540 HydrophobicContact CE-CD2 4.07Å; M538-L540 HydrophobicContact CE-CG 3.83Å; M538-L540 HydrophobicContact SD-CD2 4.4Å; M538-L570 HydrophobicContact CE-CD1 4.25Å; M538-Y621 HydrophobicContact CE-CE1 3.91Å; M538-Y621 WeakPolarHBondContact CE-OH 3.39Å; M538-Y621 PolarHBondContact SD-OH 3.2Å; M538-Y621 VanDerWaalsContact SD-OH 3.33Å |
| 539 | N | 84.7 | Confident | 75.1 | Confident | 40 Ų | 40 | 56.3 Ų | 56.3 | 21% | 0.214 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 134.4 | 172.8 | -74.7 | -19.8 | 0 | 0 | 0 | 109.6 | K525 T527 D559 | K525-N539 WeakPolarHBondContact CE-OD1 3.48Å; K525-N539 PolarHBondContact NZ-ND2 2.88Å; K525-N539 PolarHBondContact NZ-OD1 3.44Å; T527-N539 WeakPolarHBondContact CG2-OD1 3.38Å; N539-D559 HydrophobicContact CB-CB 3.46Å; N539-D559 VanDerWaalsContact CB-CB 3.46Å; N539-D559 WeakPolarHBondContact CB-OD2 3.22Å; N539-D559 PolarHBondContact ND2-OD2 3.47Å; N539-D559 PolarHBondContact O-N 2.88Å |
| 540 | L | 86 | Confident | 74.2 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 137.1 | 175.2 | -70.4 | 166.9 | 0 | 0 | 0 | 109.4 | K525 L526 V528 M538 L556 R557 L570 | K525-L540 WeakPolarHBondContact CA-O 3.2Å; L526-L540 HydrophobicContact CB-CB 4.18Å; L526-L540 HydrophobicContact CD2-CD1 3.78Å; L526-L540 HydrophobicContact CG-CB 4.5Å; L526-L540 HydrophobicContact CG-CD1 4.19Å; L526-L540 PolarHBondContact N-O 2.88Å; L526-L540 WeakPolarHBondContact O-CA 3.3Å; L526-L540 PolarHBondContact O-N 3.28Å; V528-L540 HydrophobicContact CG2-CD1 4.49Å; M538-L540 HydrophobicContact CE-CD1 3.63Å; M538-L540 HydrophobicContact CE-CD2 4.07Å; M538-L540 HydrophobicContact CE-CG 3.83Å; M538-L540 HydrophobicContact SD-CD2 4.4Å; L540-L556 HydrophobicContact CB-CB 4.33Å; L540-L556 HydrophobicContact CB-CD1 4.38Å; L540-L556 HydrophobicContact CD1-CD1 4.08Å; L540-L556 HydrophobicContact CD2-CB 4.29Å; L540-R557 CarbonylContact C-O 3.43Å; L540-R557 WeakPolarHBondContact CA-O 3.36Å; L540-L570 HydrophobicContact CD1-CD1 4.05Å; L540-L570 HydrophobicContact CD2-CD1 3.7Å; L540-L570 HydrophobicContact CD2-CG 4.34Å |
| 541 | Y | 87.3 | Confident | 74.1 | Confident | 59 Ų | 59 | 61.5 Ų | 61.5 | 23% | 0.231 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 139 | 173.3 | -55.6 | -86.3 | 0 | 0 | 0 | 109.8 | D524 K525 V543 L556 R557 D559 | D524-Y541 CarbonylContact O-C 3.57Å; D524-Y541 WeakPolarHBondContact O-CA 3.29Å; K525-Y541 HydrophobicContact CB-CD1 4.27Å; K525-Y541 HydrophobicContact CB-CE1 4.36Å; K525-Y541 HydrophobicContact CD-CD1 4.44Å; K525-Y541 HydrophobicContact CD-CE1 3.74Å; K525-Y541 HydrophobicContact CG-CD1 4.24Å; K525-Y541 HydrophobicContact CG-CE1 4.03Å; K525-Y541 PolarHBondContact NZ-OH 3.46Å; Y541-V543 PolarHBondContact O-N 3.4Å; Y541-L556 CarbonylContact O-C 3.57Å; Y541-L556 WeakPolarHBondContact O-CA 3.44Å; Y541-R557 PolarHBondContact N-O 2.75Å; Y541-R557 PolarHBondContact O-N 2.95Å; Y541-D559 HydrophobicContact CE2-CB 3.75Å; Y541-D559 WeakPolarHBondContact CE2-OD2 3.48Å; Y541-D559 PolarHBondContact OH-OD2 2.78Å |
| 542 | C | 86.9 | Confident | 74.7 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.007 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 131.1 | 170.2 | -169 | 0 | 0 | 0 | 0 | 110.1 | C484 F486 D524 K544 L556 | C484-C542 HydrophobicContact CB-CB 3.8Å; C484-C542 WeakPolarHBondContact CB-SG 3.38Å; C484-C542 WeakPolarHBondContact SG-CB 3.29Å; C484-C542 CovalentContact SG-SG 2.03Å; C484-C542 PolarHBondContact SG-SG 2.92Å; F486-C542 HydrophobicContact CZ-CB 4.44Å; D524-C542 PolarHBondContact O-N 3.02Å; C542-K544 VanDerWaalsContact SG-C 3.57Å; C542-K544 PolarHBondContact SG-N 3.42Å; C542-K544 VanDerWaalsContact SG-N 3.4Å; C542-K544 PolarHBondContact SG-O 2.92Å; C542-L556 HydrophobicContact CB-CD2 3.96Å |
| 543 | V | 81.1 | Confident | 75.6 | Confident | 17 Ų | 17 | 57.1 Ų | 57.1 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | -34.4 | 170.1 | -174.2 | 0 | 0 | 0 | 0 | 110 | L470 D482 Y541 I555 R557 | L470-V543 HydrophobicContact CD2-CG1 3.96Å; D482-V543 PolarHBondContact N-O 3.22Å; Y541-V543 PolarHBondContact O-N 3.4Å; V543-I555 HydrophobicContact CB-CG2 4.5Å; V543-I555 PolarHBondContact N-O 2.98Å; V543-R557 HydrophobicContact CG2-CB 3.48Å; V543-R557 VanDerWaalsContact CG2-CB 3.48Å |
| 544 | K | 82.1 | Confident | 77.2 | Confident | 61 Ų | 61 | 48.9 Ų | 48.9 | 27% | 0.265 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 137.3 | -174.7 | -164.2 | 176 | -162.5 | 74.6 | 0 | 113.6 | D482 C542 Y554 I555 L603 | D482-K544 IonicContact OD2-NZ 2.79Å; D482-K544 PolarHBondContact OD2-NZ 2.7Å; C542-K544 VanDerWaalsContact SG-C 3.57Å; C542-K544 PolarHBondContact SG-N 3.42Å; C542-K544 VanDerWaalsContact SG-N 3.4Å; C542-K544 PolarHBondContact SG-O 2.92Å; K544-Y554 CarbonylContact O-C 3.5Å; K544-Y554 WeakPolarHBondContact O-CA 3.14Å; K544-I555 HydrophobicContact CB-CB 4.21Å; K544-I555 HydrophobicContact CB-CD1 4.37Å; K544-I555 HydrophobicContact CB-CG1 4.48Å; K544-I555 HydrophobicContact CD-CD1 4.44Å; K544-I555 PolarHBondContact N-O 3.17Å; K544-I555 PolarHBondContact O-N 3.42Å; K544-L603 HydrophobicContact CD-CD2 3.7Å |
| 545 | E | 83.4 | Confident | 78.5 | Confident | 52 Ų | 52 | 45.9 Ų | 45.9 | 24% | 0.243 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 136.7 | 163.4 | -172.8 | -173 | 177.1 | 0 | 0 | 109.8 | H487 Q547 Y554 | H487-E545 IonicContact CD2-OE1 3.43Å; H487-E545 IonicContact CE1-OE1 3.55Å; H487-E545 PolarHBondContact CE1-OE1 2.66Å; H487-E545 IonicContact NE2-OE1 3.54Å; H487-E545 PolarHBondContact NE2-OE1 2.88Å; E545-Q547 HydrophobicContact CG-CG 3.98Å; E545-Q547 WeakPolarHBondContact OE1-CG 3.46Å; E545-Q547 PolarHBondContact OE1-NE2 2.91Å; E545-Y554 HydrophobicContact CB-CD1 4.32Å; E545-Y554 HydrophobicContact CB-CE1 4.42Å; E545-Y554 HydrophobicContact CG-CD1 4.33Å; E545-Y554 HydrophobicContact CG-CE1 4.08Å |
| 546 | I | 78.9 | Confident | 79.5 | Confident | 49 Ų | 49 | 41.2 Ų | 41.2 | 25% | 0.251 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 98.3 | 170.9 | -59.1 | 174.3 | 0 | 0 | 0 | 106.6 | D548 R553 I555 | I546-D548 PolarHBondContact O-N 2.85Å; I546-R553 HydrophobicContact CB-CB 3.98Å; I546-R553 PolarHBondContact N-O 2.62Å; I546-R553 PolarHBondContact O-N 2.95Å; I546-I555 HydrophobicContact CD1-CD1 4.05Å; I546-I555 HydrophobicContact CD1-CG1 4.08Å |
| 547 | Q | 68 | Low | 79.9 | Confident | 120 Ų | 120 | 42.3 Ų | 42.3 | 56% | 0.561 | 21% | 0.214 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 121.2 | -179.7 | -70.4 | -174 | -11.5 | 0 | 0 | 111.2 | E545 | E545-Q547 HydrophobicContact CG-CG 3.98Å; E545-Q547 WeakPolarHBondContact OE1-CG 3.46Å; E545-Q547 PolarHBondContact OE1-NE2 2.91Å |
| 548 | D | 67.2 | Low | 79.8 | Confident | 65 Ų | 65 | 38.9 Ų | 38.9 | 35% | 0.348 | 19% | 0.193 | S | C | . | . | trans | -119.3 | 168.2 | 168.9 | -152.2 | -28.1 | 0 | 0 | 0 | 109.8 | I546 Y551 R553 | I546-D548 PolarHBondContact O-N 2.85Å; D548-Y551 WeakPolarHBondContact CB-O 3.49Å; D548-Y551 PolarHBondContact N-O 2.85Å; D548-R553 IonicContact OD2-CZ 2.73Å; D548-R553 IonicContact OD2-NH1 2.8Å; D548-R553 PolarHBondContact OD2-NH1 3.1Å; D548-R553 IonicContact OD2-NH2 2.73Å | ||
| 549 | S | 62.4 | Low | 79.3 | Confident | 94 Ų | 94 | 41.1 Ų | 41.1 | 66% | 0.657 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -77.9 | -22 | -171.5 | 57.9 | 0 | 0 | 0 | 0 | 114.7 | ||
| 550 | L | 67.3 | Low | 78.2 | Confident | 103 Ų | 103 | 42.1 Ų | 42.1 | 54% | 0.539 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -119.7 | -17.8 | -178 | -61.8 | 174.2 | 0 | 0 | 0 | 113.1 | R576 | L550-R576 PolarHBondContact O-N 3.29Å; L550-R576 VanDerWaalsContact O-N 3.13Å |
| 551 | Y | 77.5 | Confident | 76.8 | Confident | 40 Ų | 40 | 44.6 Ų | 44.6 | 16% | 0.157 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 140.6 | -168.5 | -41.7 | -65 | 0 | 0 | 0 | 110.4 | D548 E573 I574 Y575 | D548-Y551 WeakPolarHBondContact CB-O 3.49Å; D548-Y551 PolarHBondContact N-O 2.85Å; Y551-E573 HydrophobicContact CG-CG 4.23Å; Y551-I574 CarbonylContact C-O 3.5Å; Y551-I574 WeakPolarHBondContact CA-O 3.45Å; Y551-Y575 AromaticContact CD1-CD1 3.8Å; Y551-Y575 HydrophobicContact CD1-CD1 3.8Å; Y551-Y575 HydrophobicContact CD1-CE1 4.05Å; Y551-Y575 HydrophobicContact CD1-CG 4.13Å; Y551-Y575 AromaticContact CE1-CD1 3.49Å; Y551-Y575 HydrophobicContact CE1-CD1 3.49Å; Y551-Y575 VanDerWaalsContact CE1-CD1 3.49Å; Y551-Y575 AromaticContact CE1-CE1 3.47Å; Y551-Y575 HydrophobicContact CE1-CE1 3.47Å; Y551-Y575 VanDerWaalsContact CE1-CE1 3.47Å; Y551-Y575 HydrophobicContact CE1-CG 4.28Å |
| 552 | D | 84 | Confident | 75.2 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 117.1 | 162.9 | -86.2 | -33.2 | 0 | 0 | 0 | 109.1 | H487 Y490 Y554 E573 I574 R576 | H487-D552 IonicContact CD2-OD1 3.61Å; H487-D552 IonicContact CD2-OD2 3.54Å; H487-D552 PolarHBondContact CD2-OD2 3.08Å; H487-D552 VanDerWaalsContact CD2-OD2 3.27Å; H487-D552 IonicContact NE2-OD1 2.69Å; H487-D552 IonicContact NE2-OD2 2.77Å; Y490-D552 HydrophobicContact CE2-CB 4.47Å; Y490-D552 WeakPolarHBondContact CE2-OD2 3.39Å; Y490-D552 PolarHBondContact OH-OD2 2.93Å; Y490-D552 VanDerWaalsContact OH-OD2 3.12Å; D552-Y554 HydrophobicContact CB-CE2 3.75Å; D552-E573 WeakPolarHBondContact O-CA 2.96Å; D552-I574 HydrophobicContact CB-CB 4.39Å; D552-I574 PolarHBondContact N-O 2.84Å; D552-I574 PolarHBondContact O-N 2.89Å; D552-R576 IonicContact OD1-CZ 2.98Å; D552-R576 IonicContact OD1-NE 2.75Å; D552-R576 PolarHBondContact OD1-NE 2.82Å; D552-R576 IonicContact OD1-NH1 2.69Å; D552-R576 IonicContact OD1-NH2 3.61Å; D552-R576 PolarHBondContact OD1-NH2 2.96Å; D552-R576 IonicContact OD2-CZ 3.44Å; D552-R576 IonicContact OD2-NE 2.71Å; D552-R576 PolarHBondContact OD2-NE 2.87Å; D552-R576 IonicContact OD2-NH2 3.38Å; D552-R576 PolarHBondContact OD2-NH2 2.75Å |
| 553 | R | 85.9 | Confident | 74 | Confident | 53 Ų | 53 | 45.9 Ų | 45.9 | 20% | 0.2 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 135.3 | 174.4 | -71.6 | -179.8 | -176.8 | 120.7 | 13.7 | 110.5 | I546 D548 L572 E573 | I546-R553 HydrophobicContact CB-CB 3.98Å; I546-R553 PolarHBondContact N-O 2.62Å; I546-R553 PolarHBondContact O-N 2.95Å; D548-R553 IonicContact OD2-CZ 2.73Å; D548-R553 IonicContact OD2-NH1 2.8Å; D548-R553 PolarHBondContact OD2-NH1 3.1Å; D548-R553 IonicContact OD2-NH2 2.73Å; R553-L572 CarbonylContact C-O 3.6Å; R553-L572 WeakPolarHBondContact CA-O 3.32Å; R553-E573 HydrophobicContact CG-CB 4.17Å; R553-E573 HydrophobicContact CG-CG 3.9Å; R553-E573 IonicContact CZ-OE2 3.41Å; R553-E573 IonicContact NE-OE2 3.89Å; R553-E573 PolarHBondContact NE-OE2 3.43Å; R553-E573 IonicContact NH2-OE2 2.69Å; R553-E573 PolarHBondContact NH2-OE2 3.17Å |
| 554 | Y | 87.2 | Confident | 73.2 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.8 | 175.9 | -55.7 | -89.8 | 0 | 0 | 0 | 110.1 | F486 H487 K544 E545 D552 C571 L572 I574 | F486-Y554 AromaticContact CD1-CD1 3.94Å; F486-Y554 HydrophobicContact CD1-CD1 3.94Å; F486-Y554 AromaticContact CD1-CD2 3.96Å; F486-Y554 HydrophobicContact CD1-CD2 3.96Å; F486-Y554 AromaticContact CD1-CE1 3.81Å; F486-Y554 HydrophobicContact CD1-CE1 3.81Å; F486-Y554 AromaticContact CD1-CE2 3.84Å; F486-Y554 HydrophobicContact CD1-CE2 3.84Å; F486-Y554 AromaticContact CD1-CG 3.99Å; F486-Y554 HydrophobicContact CD1-CG 3.99Å; F486-Y554 AromaticContact CD1-CZ 3.75Å; F486-Y554 HydrophobicContact CE1-CD1 4.11Å; F486-Y554 HydrophobicContact CE1-CD2 4.01Å; F486-Y554 HydrophobicContact CE1-CE1 4.45Å; F486-Y554 HydrophobicContact CE1-CE2 4.36Å; F486-Y554 AromaticContact CE1-CG 3.86Å; F486-Y554 HydrophobicContact CE1-CG 3.86Å; H487-Y554 PolarHBondContact CD2-OH 2.93Å; H487-Y554 VanDerWaalsContact CD2-OH 3.25Å; H487-Y554 PolarHBondContact N-OH 3.12Å; K544-Y554 CarbonylContact O-C 3.5Å; K544-Y554 WeakPolarHBondContact O-CA 3.14Å; E545-Y554 HydrophobicContact CB-CD1 4.32Å; E545-Y554 HydrophobicContact CB-CE1 4.42Å; E545-Y554 HydrophobicContact CG-CD1 4.33Å; E545-Y554 HydrophobicContact CG-CE1 4.08Å; D552-Y554 HydrophobicContact CB-CE2 3.75Å; Y554-C571 WeakPolarHBondContact O-CA 3.16Å; Y554-L572 HydrophobicContact CD2-CD2 4.32Å; Y554-L572 PolarHBondContact N-O 2.97Å; Y554-L572 PolarHBondContact O-N 2.9Å; Y554-I574 HydrophobicContact CE2-CD1 4.25Å |
| 555 | I | 84.8 | Confident | 72.8 | Confident | 9 Ų | 9 | 42.3 Ų | 42.3 | 5% | 0.046 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 115.2 | 162.5 | -58.3 | 179 | 0 | 0 | 0 | 107 | V543 K544 I546 L603 I606 | V543-I555 HydrophobicContact CB-CG2 4.5Å; V543-I555 PolarHBondContact N-O 2.98Å; K544-I555 HydrophobicContact CB-CB 4.21Å; K544-I555 HydrophobicContact CB-CD1 4.37Å; K544-I555 HydrophobicContact CB-CG1 4.48Å; K544-I555 HydrophobicContact CD-CD1 4.44Å; K544-I555 PolarHBondContact N-O 3.17Å; K544-I555 PolarHBondContact O-N 3.42Å; I546-I555 HydrophobicContact CD1-CD1 4.05Å; I546-I555 HydrophobicContact CD1-CG1 4.08Å; I555-L603 HydrophobicContact CD1-CD2 4.32Å; I555-I606 HydrophobicContact CD1-CD1 4.07Å; I555-I606 HydrophobicContact CD1-CG2 4.34Å |
| 556 | L | 85.3 | Confident | 72.2 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 149.7 | 177.5 | -51.3 | -171.2 | 0 | 0 | 0 | 109.8 | F486 L526 L540 Y541 C542 D569 L570 L572 | F486-L556 HydrophobicContact CE1-CD1 4.44Å; F486-L556 HydrophobicContact CE1-CD2 3.74Å; F486-L556 HydrophobicContact CZ-CD1 4.15Å; F486-L556 HydrophobicContact CZ-CD2 3.47Å; F486-L556 VanDerWaalsContact CZ-CD2 3.47Å; F486-L556 HydrophobicContact CZ-CG 4.48Å; L526-L556 HydrophobicContact CD2-CD1 3.82Å; L540-L556 HydrophobicContact CB-CB 4.33Å; L540-L556 HydrophobicContact CB-CD1 4.38Å; L540-L556 HydrophobicContact CD1-CD1 4.08Å; L540-L556 HydrophobicContact CD2-CB 4.29Å; Y541-L556 CarbonylContact O-C 3.57Å; Y541-L556 WeakPolarHBondContact O-CA 3.44Å; C542-L556 HydrophobicContact CB-CD2 3.96Å; L556-D569 CarbonylContact O-C 3.49Å; L556-D569 WeakPolarHBondContact O-CA 3.46Å; L556-L570 HydrophobicContact CB-CB 4.47Å; L556-L570 PolarHBondContact N-O 3.29Å; L556-L570 PolarHBondContact O-N 3.05Å; L556-L572 HydrophobicContact CD1-CB 3.76Å; L556-L572 HydrophobicContact CD1-CD2 4Å; L556-L572 HydrophobicContact CG-CB 4.17Å |
| 557 | R | 81 | Confident | 71.8 | Confident | 41 Ų | 41 | 40.4 Ų | 40.4 | 16% | 0.155 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133.1 | 177.2 | 176 | 164.6 | -70.6 | 165.3 | 6.9 | 110.6 | L470 L540 Y541 V543 S567 R568 D569 | L470-R557 VanDerWaalsContact CD2-NH1 3.26Å; L540-R557 CarbonylContact C-O 3.43Å; L540-R557 WeakPolarHBondContact CA-O 3.36Å; Y541-R557 PolarHBondContact N-O 2.75Å; Y541-R557 PolarHBondContact O-N 2.95Å; V543-R557 HydrophobicContact CG2-CB 3.48Å; V543-R557 VanDerWaalsContact CG2-CB 3.48Å; R557-S567 WeakPolarHBondContact CD-OG 3.34Å; R557-R568 CarbonylContact C-O 3.57Å; R557-R568 WeakPolarHBondContact CA-O 3.19Å; R557-D569 IonicContact CZ-OD1 2.79Å; R557-D569 VanDerWaalsContact CZ-OD1 3.25Å; R557-D569 IonicContact CZ-OD2 3.49Å; R557-D569 IonicContact NE-OD1 3.23Å; R557-D569 PolarHBondContact NE-OD1 2.99Å; R557-D569 IonicContact NE-OD2 3.25Å; R557-D569 VanDerWaalsContact NH2-CG 3.3Å; R557-D569 IonicContact NH2-OD1 3.46Å; R557-D569 PolarHBondContact NH2-OD1 2.99Å; R557-D569 IonicContact NH2-OD2 3.64Å; R557-D569 PolarHBondContact NH2-OD2 2.79Å |
| 558 | S | 75.7 | Confident | 72.1 | Confident | 6 Ų | 6 | 34.7 Ų | 34.7 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 144.1 | 174.9 | 84.6 | 0 | 0 | 0 | 0 | 111 | S567 R568 | S558-S567 WeakPolarHBondContact O-CB 3.49Å; S558-S567 WeakPolarHBondContact OG-CA 3.46Å; S558-R568 PolarHBondContact N-O 2.81Å; S558-R568 PolarHBondContact OG-N 2.97Å |
| 559 | D | 69.4 | Low | 72.5 | Confident | 50 Ų | 50 | 33.5 Ų | 33.5 | 27% | 0.267 | 17% | 0.171 | S | C | . | . | trans | -57.6 | 162.5 | 161 | -150.7 | -27.1 | 0 | 0 | 0 | 110.3 | N539 Y541 Q561 | N539-D559 HydrophobicContact CB-CB 3.46Å; N539-D559 VanDerWaalsContact CB-CB 3.46Å; N539-D559 WeakPolarHBondContact CB-OD2 3.22Å; N539-D559 PolarHBondContact ND2-OD2 3.47Å; N539-D559 PolarHBondContact O-N 2.88Å; Y541-D559 HydrophobicContact CE2-CB 3.75Å; Y541-D559 WeakPolarHBondContact CE2-OD2 3.48Å; Y541-D559 PolarHBondContact OH-OD2 2.78Å; D559-Q561 VanDerWaalsContact C-N 3.26Å; D559-Q561 PolarHBondContact O-N 2.91Å | ||
| 560 | Y | 60.9 | Low | 73.4 | Confident | 61 Ų | 61 | 29.1 Ų | 29.1 | 24% | 0.239 | 14% | 0.14 | C | C | . | . | trans | -81.5 | 71.1 | -170.5 | -142.6 | -82.9 | 0 | 0 | 0 | 110.5 | R467 T562 C565 | R467-Y560 HydrophobicContact CG-CE2 3.88Å; Y560-T562 PolarHBondContact O-N 2.92Å; Y560-C565 VanDerWaalsContact CE1-O 3.24Å; Y560-C565 WeakPolarHBondContact CE1-O 3.46Å; Y560-C565 PolarHBondContact OH-O 2.91Å | ||
| 561 | Q | 55.8 | Low | 74.3 | Confident | 54 Ų | 54 | 24.2 Ų | 24.2 | 25% | 0.252 | 12% | 0.115 | S | C | . | . | trans | -72 | 114.5 | -172 | -62.8 | -153.9 | -47.5 | 0 | 0 | 112.1 | T537 D559 C565 | T537-Q561 PolarHBondContact O-NE2 3.29Å; D559-Q561 VanDerWaalsContact C-N 3.26Å; D559-Q561 PolarHBondContact O-N 2.91Å; Q561-C565 WeakPolarHBondContact O-CB 3.26Å; Q561-C565 PolarHBondContact O-SG 3.21Å; Q561-C565 VanDerWaalsContact O-SG 3.39Å | ||
| 562 | T | 55.4 | Low | 74.8 | Confident | 65 Ų | 65 | 22.6 Ų | 22.6 | 40% | 0.399 | 11% | 0.109 | S | C | . | . | S | Bend | trans | 64.8 | 164.4 | 179.1 | 77.7 | 0 | 0 | 0 | 0 | 115.9 | G280 Y560 G564 | G280-T562 VanDerWaalsContact CA-OG1 3.22Å; G280-T562 WeakPolarHBondContact CA-OG1 3.42Å; Y560-T562 PolarHBondContact O-N 2.92Å; T562-G564 PolarHBondContact O-N 3.45Å; T562-G564 VanDerWaalsContact O-N 3.1Å |
| 563 | N | 61.3 | Low | 75 | Confident | 22 Ų | 22 | 22.6 Ų | 22.6 | 12% | 0.118 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 113.7 | -177.4 | -76.3 | -63.7 | 0 | 0 | 0 | 111.8 | G281 L374 A440 | G281-N563 PolarHBondContact N-O 3.17Å; L374-N563 PolarHBondContact O-ND2 2.99Å; L374-N563 PolarHBondContact O-OD1 3.12Å; A440-N563 CarbonylContact O-C 3.56Å |
| 564 | G | 64.4 | Low | 75 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97.8 | 0.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | G281 A440 F463 T562 | G281-G564 WeakPolarHBondContact CA-O 3.28Å; A440-G564 WeakPolarHBondContact O-CA 3.04Å; A440-G564 PolarHBondContact O-N 2.84Å; F463-G564 VanDerWaalsContact CD1-O 3.24Å; F463-G564 WeakPolarHBondContact CD1-O 3.43Å; F463-G564 WeakPolarHBondContact CE1-O 3.46Å; T562-G564 PolarHBondContact O-N 3.45Å; T562-G564 VanDerWaalsContact O-N 3.1Å |
| 565 | C | 73.5 | Confident | 74.6 | Confident | 3 Ų | 3 | 22.5 Ų | 22.5 | 2% | 0.02 | 11% | 0.109 | C | C | . | . | P | Polyproline II helix | trans | -77.1 | 143.6 | 179.1 | -72.4 | 0 | 0 | 0 | 0 | 113.5 | G280 C309 Y560 Q561 | G280-C565 VanDerWaalsContact CA-SG 3.53Å; C309-C565 WeakPolarHBondContact CA-SG 3.34Å; C309-C565 HydrophobicContact CB-CB 3.6Å; C309-C565 WeakPolarHBondContact CB-SG 3.42Å; C309-C565 WeakPolarHBondContact SG-CB 3.2Å; C309-C565 CovalentContact SG-SG 2.03Å; C309-C565 PolarHBondContact SG-SG 2.95Å; Y560-C565 VanDerWaalsContact CE1-O 3.24Å; Y560-C565 WeakPolarHBondContact CE1-O 3.46Å; Y560-C565 PolarHBondContact OH-O 2.91Å; Q561-C565 WeakPolarHBondContact O-CB 3.26Å; Q561-C565 PolarHBondContact O-SG 3.21Å; Q561-C565 VanDerWaalsContact O-SG 3.39Å |
| 566 | Y | 69.7 | Low | 73.7 | Confident | 45 Ų | 45 | 25.8 Ų | 25.8 | 18% | 0.176 | 12% | 0.121 | C | C | . | . | P | Polyproline II helix | trans | -76 | 137.7 | 165.3 | 96.3 | -106.1 | 0 | 0 | 0 | 110.6 | E306 L316 R568 | E306-Y566 WeakPolarHBondContact OE1-CD1 3.22Å; E306-Y566 PolarHBondContact OE1-N 3.02Å; E306-Y566 WeakPolarHBondContact OE2-CD1 3.39Å; E306-Y566 WeakPolarHBondContact OE2-CE1 3.02Å; L316-Y566 HydrophobicContact CD2-CE1 4.47Å; Y566-R568 VanDerWaalsContact CZ-CD 3.4Å; Y566-R568 PolarHBondContact O-N 3.01Å; Y566-R568 PolarHBondContact O-NH1 2.92Å; Y566-R568 WeakPolarHBondContact OH-CD 3.3Å |
| 567 | S | 71.2 | Confident | 72.5 | Confident | 15 Ų | 15 | 27.1 Ų | 27.1 | 11% | 0.105 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 117 | 178.6 | 55.8 | 0 | 0 | 0 | 0 | 111.1 | R557 S558 | R557-S567 WeakPolarHBondContact CD-OG 3.34Å; S558-S567 WeakPolarHBondContact O-CB 3.49Å; S558-S567 WeakPolarHBondContact OG-CA 3.46Å |
| 568 | R | 73.8 | Confident | 71.2 | Confident | 1 Ų | 1 | 29 Ų | 29 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -73.3 | 129.6 | -174.7 | -57 | -53.8 | -165.2 | -125.5 | 29.5 | 110.7 | E306 M310 E313 R557 S558 Y566 | E306-R568 VanDerWaalsContact CD-NH1 3.29Å; E306-R568 VanDerWaalsContact CD-NH2 3.34Å; E306-R568 IonicContact OE1-CZ 3.82Å; E306-R568 IonicContact OE1-NH1 3.87Å; E306-R568 PolarHBondContact OE1-NH1 3.1Å; E306-R568 IonicContact OE1-NH2 2.66Å; E306-R568 IonicContact OE2-CZ 2.8Å; E306-R568 IonicContact OE2-NH1 3.28Å; E306-R568 PolarHBondContact OE2-NH1 2.86Å; E306-R568 IonicContact OE2-NH2 3.68Å; E306-R568 PolarHBondContact OE2-NH2 3.02Å; M310-R568 HydrophobicContact CE-CB 3.99Å; M310-R568 HydrophobicContact CE-CG 3.87Å; M310-R568 HydrophobicContact CG-CB 4.22Å; M310-R568 HydrophobicContact CG-CG 3.67Å; M310-R568 HydrophobicContact SD-CB 3.65Å; M310-R568 HydrophobicContact SD-CG 3.73Å; E313-R568 IonicContact OE1-CZ 2.8Å; E313-R568 IonicContact OE1-NE 2.61Å; E313-R568 PolarHBondContact OE1-NE 2.99Å; E313-R568 IonicContact OE1-NH2 2.78Å; E313-R568 PolarHBondContact OE1-NH2 2.99Å; E313-R568 IonicContact OE2-CZ 3.14Å; E313-R568 IonicContact OE2-NE 2.76Å; E313-R568 PolarHBondContact OE2-NE 2.85Å; E313-R568 IonicContact OE2-NH2 3.01Å; E313-R568 PolarHBondContact OE2-NH2 2.88Å; R557-R568 CarbonylContact C-O 3.57Å; R557-R568 WeakPolarHBondContact CA-O 3.19Å; S558-R568 PolarHBondContact N-O 2.81Å; S558-R568 PolarHBondContact OG-N 2.97Å; Y566-R568 VanDerWaalsContact CZ-CD 3.4Å; Y566-R568 PolarHBondContact O-N 3.01Å; Y566-R568 PolarHBondContact O-NH1 2.92Å; Y566-R568 WeakPolarHBondContact OH-CD 3.3Å |
| 569 | D | 76.7 | Confident | 70 | Confident | 40 Ų | 40 | 35.7 Ų | 35.7 | 21% | 0.214 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 130 | 172.1 | -73.5 | -21.3 | 0 | 0 | 0 | 109.7 | L556 R557 G598 | L556-D569 CarbonylContact O-C 3.49Å; L556-D569 WeakPolarHBondContact O-CA 3.46Å; R557-D569 IonicContact CZ-OD1 2.79Å; R557-D569 VanDerWaalsContact CZ-OD1 3.25Å; R557-D569 IonicContact CZ-OD2 3.49Å; R557-D569 IonicContact NE-OD1 3.23Å; R557-D569 PolarHBondContact NE-OD1 2.99Å; R557-D569 IonicContact NE-OD2 3.25Å; R557-D569 VanDerWaalsContact NH2-CG 3.3Å; R557-D569 IonicContact NH2-OD1 3.46Å; R557-D569 PolarHBondContact NH2-OD1 2.99Å; R557-D569 IonicContact NH2-OD2 3.64Å; R557-D569 PolarHBondContact NH2-OD2 2.79Å; D569-G598 PolarHBondContact O-N 2.84Å |
| 570 | L | 81.8 | Confident | 69 | Low | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 149.6 | 178.6 | -59 | -177.1 | 0 | 0 | 0 | 109.7 | M310 M538 L540 L556 I595 A596 V597 Y621 | M310-L570 HydrophobicContact CE-CD2 4.22Å; M310-L570 HydrophobicContact SD-CD1 4.42Å; M310-L570 HydrophobicContact SD-CD2 4.38Å; M538-L570 HydrophobicContact CE-CD1 4.25Å; L540-L570 HydrophobicContact CD1-CD1 4.05Å; L540-L570 HydrophobicContact CD2-CD1 3.7Å; L540-L570 HydrophobicContact CD2-CG 4.34Å; L556-L570 HydrophobicContact CB-CB 4.47Å; L556-L570 PolarHBondContact N-O 3.29Å; L556-L570 PolarHBondContact O-N 3.05Å; L570-I595 HydrophobicContact CB-CG2 4.18Å; L570-I595 HydrophobicContact CD1-CG2 4.27Å; L570-A596 CarbonylContact C-O 3.55Å; L570-A596 WeakPolarHBondContact CA-O 3.49Å; L570-V597 HydrophobicContact CD2-CB 4.27Å; L570-V597 HydrophobicContact CD2-CG1 4.36Å; L570-V597 HydrophobicContact CD2-CG2 3.72Å; L570-Y621 HydrophobicContact CD1-CE1 3.98Å |
| 571 | C | 85.1 | Confident | 68.5 | Low | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 110.9 | 170.4 | -67.4 | 0 | 0 | 0 | 0 | 109.3 | Y554 I595 A596 C607 F609 | Y554-C571 WeakPolarHBondContact O-CA 3.16Å; C571-I595 WeakPolarHBondContact O-CA 3.4Å; C571-A596 PolarHBondContact N-O 3.17Å; C571-A596 PolarHBondContact O-N 2.99Å; C571-C607 HydrophobicContact CB-CB 3.58Å; C571-C607 WeakPolarHBondContact CB-SG 3.34Å; C571-C607 WeakPolarHBondContact SG-CA 3.39Å; C571-C607 WeakPolarHBondContact SG-CB 3.34Å; C571-C607 CovalentContact SG-SG 2.04Å; C571-C607 PolarHBondContact SG-SG 3.35Å; C571-F609 HydrophobicContact CB-CE2 4.45Å; C571-F609 HydrophobicContact CB-CZ 3.89Å; C571-F609 WeakPolarHBondContact O-CE1 3.42Å; C571-F609 WeakPolarHBondContact O-CZ 3.22Å |
| 572 | L | 88.9 | Confident | 68.3 | Low | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 128.1 | 167.8 | 172.4 | 64.5 | 0 | 0 | 0 | 108.5 | F486 L526 R553 Y554 L556 I574 Y593 I595 | F486-L572 HydrophobicContact CE1-CD2 3.98Å; L526-L572 HydrophobicContact CD2-CD2 4.44Å; R553-L572 CarbonylContact C-O 3.6Å; R553-L572 WeakPolarHBondContact CA-O 3.32Å; Y554-L572 HydrophobicContact CD2-CD2 4.32Å; Y554-L572 PolarHBondContact N-O 2.97Å; Y554-L572 PolarHBondContact O-N 2.9Å; L556-L572 HydrophobicContact CD1-CB 3.76Å; L556-L572 HydrophobicContact CD1-CD2 4Å; L556-L572 HydrophobicContact CG-CB 4.17Å; L572-I574 HydrophobicContact CD1-CG1 4.29Å; L572-I574 HydrophobicContact CD2-CD1 4.16Å; L572-I574 HydrophobicContact CD2-CG1 4.34Å; L572-I574 HydrophobicContact CG-CG1 4.21Å; L572-Y593 HydrophobicContact CD1-CD2 3.76Å; L572-Y593 HydrophobicContact CD1-CG 4.38Å; L572-I595 HydrophobicContact CB-CG1 4.48Å; L572-I595 HydrophobicContact CD1-CD1 4.18Å; L572-I595 HydrophobicContact CD1-CG1 3.73Å |
| 573 | E | 87 | Confident | 68.1 | Low | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 128 | 166.4 | -174.1 | 179.6 | 87.5 | 0 | 0 | 109.2 | Y551 D552 R553 Y593 R594 F609 | Y551-E573 HydrophobicContact CG-CG 4.23Å; D552-E573 WeakPolarHBondContact O-CA 2.96Å; R553-E573 HydrophobicContact CG-CB 4.17Å; R553-E573 HydrophobicContact CG-CG 3.9Å; R553-E573 IonicContact CZ-OE2 3.41Å; R553-E573 IonicContact NE-OE2 3.89Å; R553-E573 PolarHBondContact NE-OE2 3.43Å; R553-E573 IonicContact NH2-OE2 2.69Å; R553-E573 PolarHBondContact NH2-OE2 3.17Å; E573-Y593 CarbonylContact O-C 3.6Å; E573-Y593 VanDerWaalsContact O-CA 3.24Å; E573-Y593 WeakPolarHBondContact O-CA 3.32Å; E573-R594 HydrophobicContact CB-CG 4.04Å; E573-R594 PolarHBondContact N-O 2.03Å; E573-R594 PolarHBondContact O-N 2.91Å; E573-R594 IonicContact OE1-CZ 3.98Å; E573-R594 IonicContact OE1-NE 3.5Å; E573-R594 PolarHBondContact OE1-NE 2.83Å; E573-R594 IonicContact OE1-NH2 3.9Å; E573-R594 PolarHBondContact OE1-NH2 2.72Å; E573-R594 IonicContact OE2-NH2 3.92Å; E573-F609 HydrophobicContact CB-CE1 4.12Å; E573-F609 HydrophobicContact CB-CE2 4.03Å; E573-F609 HydrophobicContact CB-CZ 3.57Å |
| 574 | I | 87.2 | Confident | 67.5 | Low | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 129.2 | 172.2 | -68.9 | 174.7 | 0 | 0 | 0 | 108.5 | Y490 Y551 D552 Y554 L572 R576 I591 | Y490-I574 HydrophobicContact CD1-CD1 4.38Å; Y490-I574 HydrophobicContact CD2-CD1 4.1Å; Y490-I574 HydrophobicContact CE1-CD1 4.36Å; Y490-I574 HydrophobicContact CE1-CG2 3.74Å; Y490-I574 HydrophobicContact CE2-CD1 4.09Å; Y490-I574 HydrophobicContact CE2-CG2 4.38Å; Y490-I574 HydrophobicContact CG-CD1 4.25Å; Y490-I574 WeakPolarHBondContact OH-CG2 3.03Å; Y551-I574 CarbonylContact C-O 3.5Å; Y551-I574 WeakPolarHBondContact CA-O 3.45Å; D552-I574 HydrophobicContact CB-CB 4.39Å; D552-I574 PolarHBondContact N-O 2.84Å; D552-I574 PolarHBondContact O-N 2.89Å; Y554-I574 HydrophobicContact CE2-CD1 4.25Å; L572-I574 HydrophobicContact CD1-CG1 4.29Å; L572-I574 HydrophobicContact CD2-CD1 4.16Å; L572-I574 HydrophobicContact CD2-CG1 4.34Å; L572-I574 HydrophobicContact CG-CG1 4.21Å; I574-R576 PolarHBondContact O-N 2.89Å; I574-I591 HydrophobicContact CB-CG2 4.29Å; I574-I591 HydrophobicContact CD1-CG2 4.04Å; I574-I591 HydrophobicContact CG1-CG2 3.83Å; I574-I591 HydrophobicContact CG2-CG2 3.65Å |
| 575 | Y | 78.4 | Confident | 66.9 | Low | 51 Ų | 51 | 50.9 Ų | 50.9 | 20% | 0.2 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 121.6 | 174.1 | -71.3 | -109.7 | 0 | 0 | 0 | 109.3 | Y551 L592 R594 A625 | Y551-Y575 AromaticContact CD1-CD1 3.8Å; Y551-Y575 HydrophobicContact CD1-CD1 3.8Å; Y551-Y575 HydrophobicContact CD1-CE1 4.05Å; Y551-Y575 HydrophobicContact CD1-CG 4.13Å; Y551-Y575 AromaticContact CE1-CD1 3.49Å; Y551-Y575 HydrophobicContact CE1-CD1 3.49Å; Y551-Y575 VanDerWaalsContact CE1-CD1 3.49Å; Y551-Y575 AromaticContact CE1-CE1 3.47Å; Y551-Y575 HydrophobicContact CE1-CE1 3.47Å; Y551-Y575 VanDerWaalsContact CE1-CE1 3.47Å; Y551-Y575 HydrophobicContact CE1-CG 4.28Å; Y575-L592 HydrophobicContact CD1-CD2 4.01Å; Y575-L592 HydrophobicContact CD2-CD2 4.09Å; Y575-L592 HydrophobicContact CD2-CG 3.87Å; Y575-L592 HydrophobicContact CG-CB 4.49Å; Y575-L592 HydrophobicContact CG-CD2 3.73Å; Y575-L592 HydrophobicContact CG-CG 3.96Å; Y575-L592 PolarHBondContact N-O 3.19Å; Y575-R594 HydrophobicContact CE2-CG 4.26Å; Y575-R594 PolarHBondContact OH-NE 3.25Å; Y575-A625 HydrophobicContact CD2-CB 4.38Å; Y575-A625 HydrophobicContact CE2-CB 3.73Å |
| 576 | R | 65 | Low | 66.1 | Low | 77 Ų | 77 | 51.3 Ų | 51.3 | 29% | 0.291 | 26% | 0.26 | S | S | . | . | trans | -75.2 | 130.7 | 169.1 | -72.3 | 178.7 | 165.6 | 176 | -8.6 | 108.3 | H487 L550 D552 I574 F582 | H487-R576 PolarHBondContact NE2-NH2 2.87Å; L550-R576 PolarHBondContact O-N 3.29Å; L550-R576 VanDerWaalsContact O-N 3.13Å; D552-R576 IonicContact OD1-CZ 2.98Å; D552-R576 IonicContact OD1-NE 2.75Å; D552-R576 PolarHBondContact OD1-NE 2.82Å; D552-R576 IonicContact OD1-NH1 2.69Å; D552-R576 IonicContact OD1-NH2 3.61Å; D552-R576 PolarHBondContact OD1-NH2 2.96Å; D552-R576 IonicContact OD2-CZ 3.44Å; D552-R576 IonicContact OD2-NE 2.71Å; D552-R576 PolarHBondContact OD2-NE 2.87Å; D552-R576 IonicContact OD2-NH2 3.38Å; D552-R576 PolarHBondContact OD2-NH2 2.75Å; I574-R576 PolarHBondContact O-N 2.89Å; R576-F582 HydrophobicContact CB-CD2 4.4Å; R576-F582 HydrophobicContact CB-CE2 4.2Å; R576-F582 HydrophobicContact CB-CZ 4.43Å; R576-F582 HydrophobicContact CG-CD1 4.47Å; R576-F582 HydrophobicContact CG-CE1 4.35Å; R576-F582 HydrophobicContact CG-CZ 4.36Å | ||
| 577 | G | 60.2 | Low | 65.7 | Low | 30 Ų | 30 | 51.8 Ų | 51.8 | 31% | 0.309 | 27% | 0.265 | S | S | . | . | trans | -72.2 | -139.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | K579 F582 | G577-K579 PolarHBondContact O-N 3.15Å; G577-F582 VanDerWaalsContact N-CE2 3.31Å | ||
| 578 | N | 55 | Low | 65.7 | Low | 80 Ų | 80 | 52.3 Ų | 52.3 | 43% | 0.428 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -69.4 | 136.6 | 177.1 | -160.9 | 3.1 | 0 | 0 | 0 | 109.4 | N580 D581 S880 | N578-N580 PolarHBondContact O-N 2.98Å; N578-N580 VanDerWaalsContact O-N 3.13Å; N578-D581 VanDerWaalsContact CB-OD2 3.31Å; N578-D581 WeakPolarHBondContact CB-OD2 3.47Å; N578-D581 PolarHBondContact N-OD2 3.42Å; N578-D581 WeakPolarHBondContact O-CB 3.4Å; N578-D581 VanDerWaalsContact O-CG 3.29Å; N578-D581 PolarHBondContact O-N 2.99Å; N578-S880 PolarHBondContact ND2-OG 2.78Å |
| 579 | K | 49.2 | Very low | 65.8 | Low | 146 Ų | 146 | 53.6 Ų | 53.6 | 64% | 0.635 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -62.4 | -32.6 | -164.7 | -158.2 | -179.2 | -177.2 | -168.8 | 0 | 113 | G577 D581 F582 | G577-K579 PolarHBondContact O-N 3.15Å; K579-D581 PolarHBondContact O-N 2.83Å; K579-F582 PolarHBondContact O-N 3.18Å |
| 580 | N | 49.3 | Very low | 66 | Low | 85 Ų | 85 | 52.3 Ų | 52.3 | 46% | 0.455 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -62.2 | -29.7 | 178.3 | -59.6 | 8.1 | 0 | 0 | 0 | 112.8 | N578 F582 E583 | N578-N580 PolarHBondContact O-N 2.98Å; N578-N580 VanDerWaalsContact O-N 3.13Å; N580-F582 PolarHBondContact O-N 2.88Å; N580-E583 PolarHBondContact O-N 3.28Å |
| 581 | D | 49.6 | Very low | 66.1 | Low | 70 Ų | 70 | 52.5 Ų | 52.5 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -67.6 | -21.9 | -176.9 | -48 | -24.1 | 0 | 0 | 0 | 111.4 | N578 K579 S586 | N578-D581 VanDerWaalsContact CB-OD2 3.31Å; N578-D581 WeakPolarHBondContact CB-OD2 3.47Å; N578-D581 PolarHBondContact N-OD2 3.42Å; N578-D581 WeakPolarHBondContact O-CB 3.4Å; N578-D581 VanDerWaalsContact O-CG 3.29Å; N578-D581 PolarHBondContact O-N 2.99Å; K579-D581 PolarHBondContact O-N 2.83Å; D581-S586 PolarHBondContact O-OG 2.76Å |
| 582 | F | 50.9 | Low | 66.1 | Low | 45 Ų | 45 | 52.6 Ų | 52.6 | 20% | 0.197 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -100.8 | -10.5 | -178.4 | -69.3 | -90.7 | 0 | 0 | 0 | 114.1 | Y490 R576 G577 K579 N580 T584 V588 | Y490-F582 AromaticContact CE1-CE1 3.78Å; Y490-F582 HydrophobicContact CE1-CE1 3.78Å; Y490-F582 HydrophobicContact CE1-CZ 4.34Å; Y490-F582 AromaticContact CZ-CE1 3.75Å; Y490-F582 VanDerWaalsContact OH-CE1 3.27Å; Y490-F582 WeakPolarHBondContact OH-CE1 3.27Å; R576-F582 HydrophobicContact CB-CD2 4.4Å; R576-F582 HydrophobicContact CB-CE2 4.2Å; R576-F582 HydrophobicContact CB-CZ 4.43Å; R576-F582 HydrophobicContact CG-CD1 4.47Å; R576-F582 HydrophobicContact CG-CE1 4.35Å; R576-F582 HydrophobicContact CG-CZ 4.36Å; G577-F582 VanDerWaalsContact N-CE2 3.31Å; K579-F582 PolarHBondContact O-N 3.18Å; N580-F582 PolarHBondContact O-N 2.88Å; F582-T584 VanDerWaalsContact C-N 3.27Å; F582-V588 HydrophobicContact CZ-CG1 4.31Å |
| 583 | E | 51.2 | Low | 66.1 | Low | 148 Ų | 148 | 52.4 Ų | 52.4 | 69% | 0.692 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -81.5 | -9.7 | 174.6 | -68.7 | -174.2 | 175.9 | 0 | 0 | 112.3 | N580 | N580-E583 PolarHBondContact O-N 3.28Š|
| 584 | T | 49.5 | Very low | 65.9 | Low | 80 Ų | 80 | 54.5 Ų | 54.5 | 49% | 0.491 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -111.8 | 162 | 167.8 | 57 | 0 | 0 | 0 | 0 | 111.1 | N489 F582 S586 | N489-T584 PolarHBondContact ND2-O 2.99Å; F582-T584 VanDerWaalsContact C-N 3.27Å; T584-S586 PolarHBondContact O-N 2.91Å; T584-S586 WeakPolarHBondContact OG1-CB 3.41Å |
| 585 | L | 52.1 | Low | 65.7 | Low | 143 Ų | 143 | 54.6 Ų | 54.6 | 75% | 0.749 | 28% | 0.277 | S | S | * | . | trans | -73.4 | 34.3 | 170.3 | -75.6 | 160.9 | 0 | 0 | 0 | 112 | P488 | P488-L585 HydrophobicContact CB-CD2 4.36Š| ||
| 586 | S | 55.4 | Low | 65.6 | Low | 12 Ų | 12 | 52.4 Ų | 52.4 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | trans | -67.8 | 142.6 | -175.2 | 80.5 | 0 | 0 | 0 | 0 | 111.4 | N489 D581 T584 V588 | N489-S586 PolarHBondContact ND2-O 3.05Å; D581-S586 PolarHBondContact O-OG 2.76Å; T584-S586 PolarHBondContact O-N 2.91Å; T584-S586 WeakPolarHBondContact OG1-CB 3.41Å; S586-V588 PolarHBondContact O-N 3Å | ||
| 587 | N | 61.9 | Low | 66 | Low | 56 Ų | 56 | 50.6 Ų | 50.6 | 30% | 0.299 | 27% | 0.267 | S | S | . | . | trans | -85.1 | 89.8 | -178.6 | -99.5 | -32.7 | 0 | 0 | 0 | 110.4 | N589 R630 | N587-N589 PolarHBondContact O-N 3.05Å; N587-R630 VanDerWaalsContact CB-NH1 3.34Å; N587-R630 VanDerWaalsContact CG-NH1 3.27Å; N587-R630 PolarHBondContact OD1-NH1 3.34Å | ||
| 588 | V | 72.1 | Confident | 66.2 | Low | 25 Ų | 25 | 50 Ų | 50 | 15% | 0.152 | 26% | 0.262 | C | S | . | . | trans | -54.7 | 133.3 | 170.4 | -82.8 | 0 | 0 | 0 | 0 | 111.2 | N489 Y490 W494 F582 S586 R630 | N489-V588 HydrophobicContact CB-CG2 4.26Å; N489-V588 WeakPolarHBondContact O-CG2 3.26Å; Y490-V588 HydrophobicContact CD1-CG2 4.43Å; W494-V588 HydrophobicContact CH2-CG2 4.15Å; W494-V588 VanDerWaalsContact CH2-O 3.25Å; W494-V588 WeakPolarHBondContact CH2-O 3.06Å; F582-V588 HydrophobicContact CZ-CG1 4.31Å; S586-V588 PolarHBondContact O-N 3Å; V588-R630 PolarHBondContact O-NE 3Å; V588-R630 PolarHBondContact O-NH1 2.88Å | ||
| 589 | N | 74.9 | Confident | 66.3 | Low | 28 Ų | 28 | 48 Ų | 48 | 15% | 0.15 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -94.4 | -2.4 | -178.5 | -62.1 | -53.3 | 0 | 0 | 0 | 113.1 | N587 R630 T644 | N587-N589 PolarHBondContact O-N 3.05Å; N589-R630 PolarHBondContact O-N 3.12Å; N589-T644 PolarHBondContact ND2-OG1 3.19Å; N589-T644 VanDerWaalsContact ND2-OG1 3.1Å |
| 590 | S | 80.4 | Confident | 66.5 | Low | 13 Ų | 13 | 45.2 Ų | 45.2 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 153.2 | -179.7 | 60.2 | 0 | 0 | 0 | 0 | 112 | L628 A762 F764 | S590-L628 CarbonylContact C-O 3.58Å; S590-L628 WeakPolarHBondContact CA-O 3.45Å; S590-L628 WeakPolarHBondContact CB-O 3.33Å; S590-A762 WeakPolarHBondContact OG-CB 3.46Å; S590-F764 WeakPolarHBondContact OG-CZ 3.34Å |
| 591 | I | 85.6 | Confident | 66 | Low | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 124.9 | 170.5 | -62.5 | 175.5 | 0 | 0 | 0 | 109 | Y490 W494 I521 I574 I627 L628 | Y490-I591 HydrophobicContact CD1-CD1 3.59Å; Y490-I591 HydrophobicContact CD1-CG1 4.02Å; Y490-I591 HydrophobicContact CE1-CD1 4.36Å; Y490-I591 HydrophobicContact CE1-CG1 4.41Å; Y490-I591 HydrophobicContact CG-CD1 4.19Å; W494-I591 HydrophobicContact CD2-CD1 3.92Å; W494-I591 HydrophobicContact CD2-CG1 4.39Å; W494-I591 HydrophobicContact CE3-CD1 4.13Å; W494-I591 HydrophobicContact CE3-CG1 4.09Å; W494-I591 HydrophobicContact CH2-CD1 3.75Å; W494-I591 HydrophobicContact CH2-CG1 3.65Å; W494-I591 HydrophobicContact CZ2-CD1 3.5Å; W494-I591 VanDerWaalsContact CZ2-CD1 3.5Å; W494-I591 HydrophobicContact CZ2-CG1 3.97Å; W494-I591 HydrophobicContact CZ3-CD1 4.06Å; W494-I591 HydrophobicContact CZ3-CG1 3.72Å; I521-I591 HydrophobicContact CD1-CD1 4.27Å; I574-I591 HydrophobicContact CB-CG2 4.29Å; I574-I591 HydrophobicContact CD1-CG2 4.04Å; I574-I591 HydrophobicContact CG1-CG2 3.83Å; I574-I591 HydrophobicContact CG2-CG2 3.65Å; I591-I627 WeakPolarHBondContact O-CA 3.27Å; I591-L628 HydrophobicContact CB-CB 4.39Å; I591-L628 PolarHBondContact N-O 2.93Å; I591-L628 PolarHBondContact O-N 3.23Å |
| 592 | L | 85.3 | Confident | 65.3 | Low | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 120.1 | 164.9 | 177.5 | 70.1 | 0 | 0 | 0 | 107.9 | Y575 A625 N626 I627 F764 I766 | Y575-L592 HydrophobicContact CD1-CD2 4.01Å; Y575-L592 HydrophobicContact CD2-CD2 4.09Å; Y575-L592 HydrophobicContact CD2-CG 3.87Å; Y575-L592 HydrophobicContact CG-CB 4.49Å; Y575-L592 HydrophobicContact CG-CD2 3.73Å; Y575-L592 HydrophobicContact CG-CG 3.96Å; Y575-L592 PolarHBondContact N-O 3.19Å; L592-A625 HydrophobicContact CD1-CB 3.61Å; L592-A625 HydrophobicContact CG-CB 3.99Å; L592-N626 WeakPolarHBondContact CA-O 3.37Å; L592-I627 HydrophobicContact CB-CG1 4.37Å; L592-I627 HydrophobicContact CD1-CD1 4.2Å; L592-I627 HydrophobicContact CD1-CG1 3.53Å; L592-F764 HydrophobicContact CB-CD1 4.05Å; L592-F764 HydrophobicContact CB-CE1 3.6Å; L592-F764 HydrophobicContact CB-CE2 4.44Å; L592-F764 HydrophobicContact CB-CZ 3.82Å; L592-F764 HydrophobicContact CD2-CD1 4.27Å; L592-F764 HydrophobicContact CD2-CG 4.45Å; L592-I766 HydrophobicContact CD2-CG2 4.49Å |
| 593 | Y | 87.1 | Confident | 64.8 | Low | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 159.3 | -171.7 | 85.6 | -71.9 | 0 | 0 | 0 | 113 | L496 F519 L572 E573 I595 P622 A625 N626 L628 | L496-Y593 HydrophobicContact CD1-CE1 4.37Å; F519-Y593 AromaticContact CE1-CE2 3.97Å; F519-Y593 HydrophobicContact CE1-CE2 3.97Å; F519-Y593 AromaticContact CZ-CE2 4Å; F519-Y593 HydrophobicContact CZ-CE2 4Å; F519-Y593 AromaticContact CZ-CZ 3.86Å; F519-Y593 WeakPolarHBondContact CZ-OH 3.35Å; L572-Y593 HydrophobicContact CD1-CD2 3.76Å; L572-Y593 HydrophobicContact CD1-CG 4.38Å; E573-Y593 CarbonylContact O-C 3.6Å; E573-Y593 VanDerWaalsContact O-CA 3.24Å; E573-Y593 WeakPolarHBondContact O-CA 3.32Å; Y593-I595 HydrophobicContact CD2-CD1 4.2Å; Y593-I595 HydrophobicContact CD2-CG1 3.92Å; Y593-I595 HydrophobicContact CE2-CD1 3.86Å; Y593-I595 HydrophobicContact CE2-CG1 3.91Å; Y593-P622 HydrophobicContact CE2-CG 4.25Å; Y593-A625 CarbonylContact O-C 3.58Å; Y593-A625 VanDerWaalsContact O-CA 3.27Å; Y593-A625 WeakPolarHBondContact O-CA 3.34Å; Y593-N626 HydrophobicContact CD1-CB 4.39Å; Y593-N626 WeakPolarHBondContact CD1-O 3.17Å; Y593-N626 HydrophobicContact CE1-CB 3.75Å; Y593-N626 PolarHBondContact N-O 3.34Å; Y593-N626 PolarHBondContact O-N 3.39Å; Y593-L628 HydrophobicContact CD1-CD1 3.85Å; Y593-L628 HydrophobicContact CD1-CD2 4.42Å; Y593-L628 HydrophobicContact CD1-CG 3.63Å; Y593-L628 HydrophobicContact CE1-CD1 4Å; Y593-L628 HydrophobicContact CE1-CD2 3.82Å; Y593-L628 HydrophobicContact CE1-CG 3.54Å; Y593-L628 HydrophobicContact CG-CD1 4.34Å |
| 594 | R | 83.7 | Confident | 64.3 | Low | 43 Ų | 43 | 52.5 Ų | 52.5 | 16% | 0.162 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 155.7 | 164.4 | 57 | 178.5 | 173.6 | 172.5 | -4.4 | 111.4 | E573 Y575 F609 P622 L623 R624 | E573-R594 HydrophobicContact CB-CG 4.04Å; E573-R594 PolarHBondContact N-O 2.03Å; E573-R594 PolarHBondContact O-N 2.91Å; E573-R594 IonicContact OE1-CZ 3.98Å; E573-R594 IonicContact OE1-NE 3.5Å; E573-R594 PolarHBondContact OE1-NE 2.83Å; E573-R594 IonicContact OE1-NH2 3.9Å; E573-R594 PolarHBondContact OE1-NH2 2.72Å; E573-R594 IonicContact OE2-NH2 3.92Å; Y575-R594 HydrophobicContact CE2-CG 4.26Å; Y575-R594 PolarHBondContact OH-NE 3.25Å; R594-F609 HydrophobicContact CB-CD1 4.44Å; R594-F609 HydrophobicContact CG-CD1 3.75Å; R594-F609 HydrophobicContact CG-CE1 3.79Å; R594-P622 VanDerWaalsContact CB-O 3.32Å; R594-P622 WeakPolarHBondContact CB-O 3.44Å; R594-L623 WeakPolarHBondContact CD-O 3.01Å; R594-R624 WeakPolarHBondContact CB-O 3.02Å |
| 595 | I | 82.9 | Confident | 64.3 | Low | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 129.9 | 178.2 | -59.7 | 177.2 | 0 | 0 | 0 | 110.2 | F519 L570 C571 L572 Y593 Y621 P622 | F519-I595 HydrophobicContact CE1-CD1 4.19Å; L570-I595 HydrophobicContact CB-CG2 4.18Å; L570-I595 HydrophobicContact CD1-CG2 4.27Å; C571-I595 WeakPolarHBondContact O-CA 3.4Å; L572-I595 HydrophobicContact CB-CG1 4.48Å; L572-I595 HydrophobicContact CD1-CD1 4.18Å; L572-I595 HydrophobicContact CD1-CG1 3.73Å; Y593-I595 HydrophobicContact CD2-CD1 4.2Å; Y593-I595 HydrophobicContact CD2-CG1 3.92Å; Y593-I595 HydrophobicContact CE2-CD1 3.86Å; Y593-I595 HydrophobicContact CE2-CG1 3.91Å; I595-Y621 HydrophobicContact CB-CD1 4.39Å; I595-Y621 HydrophobicContact CD1-CD1 4.5Å; I595-Y621 HydrophobicContact CG2-CD1 3.96Å; I595-P622 PolarHBondContact N-O 2.99Å |
| 596 | A | 76.6 | Confident | 64.7 | Low | 5 Ų | 5 | 47.2 Ų | 47.2 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 164.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | L570 C571 F609 L623 | L570-A596 CarbonylContact C-O 3.55Å; L570-A596 WeakPolarHBondContact CA-O 3.49Å; C571-A596 PolarHBondContact N-O 3.17Å; C571-A596 PolarHBondContact O-N 2.99Å; A596-F609 HydrophobicContact CB-CD1 3.47Å; A596-F609 VanDerWaalsContact CB-CD1 3.47Å; A596-F609 HydrophobicContact CB-CE1 3.61Å; A596-F609 HydrophobicContact CB-CG 4.08Å; A596-F609 HydrophobicContact CB-CZ 4.32Å; A596-L623 HydrophobicContact CB-CD2 4Å |
| 597 | V | 72.4 | Confident | 65.4 | Low | 39 Ų | 39 | 47.8 Ų | 47.8 | 24% | 0.236 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 139.6 | 174.1 | -178.1 | 0 | 0 | 0 | 0 | 110.2 | L570 Y616 | L570-V597 HydrophobicContact CD2-CB 4.27Å; L570-V597 HydrophobicContact CD2-CG1 4.36Å; L570-V597 HydrophobicContact CD2-CG2 3.72Å; V597-Y616 HydrophobicContact CB-CD2 4.18Å; V597-Y616 HydrophobicContact CB-CE2 4.01Å; V597-Y616 HydrophobicContact CG1-CE2 4.06Å; V597-Y616 HydrophobicContact CG2-CD1 4.36Å; V597-Y616 HydrophobicContact CG2-CD2 3.31Å; V597-Y616 HydrophobicContact CG2-CE1 4.47Å; V597-Y616 HydrophobicContact CG2-CE2 3.49Å; V597-Y616 VanDerWaalsContact CG2-CE2 3.49Å; V597-Y616 HydrophobicContact CG2-CG 3.81Å |
| 598 | G | 65.4 | Low | 65.7 | Low | 19 Ų | 19 | 49.6 Ų | 49.6 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 128.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | D569 I606 | D569-G598 PolarHBondContact O-N 2.84Å; G598-I606 WeakPolarHBondContact CA-O 3.33Å |
| 599 | G | 56.6 | Low | 65.4 | Low | 36 Ų | 36 | 49.4 Ų | 49.4 | 37% | 0.371 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 151.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | H601 I606 | G599-H601 VanDerWaalsContact C-N 3.33Å; G599-H601 PolarHBondContact O-N 3.36Å; G599-I606 PolarHBondContact N-O 3.38Å |
| 600 | K | 52.5 | Low | 64.8 | Low | 89 Ų | 89 | 52.9 Ų | 52.9 | 39% | 0.387 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -83.3 | 10.9 | -175.2 | -78 | -131.1 | 170.5 | -161 | 0 | 116 | H466 | H466-K600 PolarHBondContact NE2-NZ 2.69Å; H466-K600 VanDerWaalsContact NE2-NZ 3.15Å |
| 601 | H | 40 | Very low | 63.4 | Low | 132 Ų | 132 | 56.3 Ų | 56.3 | 61% | 0.611 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -125.8 | 143.7 | -177.5 | -69.3 | -29.8 | 0 | 0 | 0 | 113.3 | G599 I606 | G599-H601 VanDerWaalsContact C-N 3.33Å; G599-H601 PolarHBondContact O-N 3.36Å; H601-I606 VanDerWaalsContact O-CG1 3.3Å; H601-I606 WeakPolarHBondContact O-CG1 3.18Å |
| 602 | L | 34.9 | Very low | 61.5 | Low | 150 Ų | 150 | 63.2 Ų | 63.2 | 79% | 0.785 | 34% | 0.341 | S | S | * | . | S | Bend | trans | 16.2 | 103.9 | 169.3 | -77.7 | 158.1 | 0 | 0 | 0 | 116.6 | T604 D605 | L602-T604 PolarHBondContact O-N 3.19Å; L602-D605 PolarHBondContact O-N 2.92Å |
| 603 | L | 40.4 | Very low | 59.5 | Low | 97 Ų | 97 | 66.8 Ų | 66.8 | 51% | 0.508 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 3.8 | -47.3 | 170.9 | -80.7 | 164.7 | 0 | 0 | 0 | 121.1 | K544 I555 I606 | K544-L603 HydrophobicContact CD-CD2 3.7Å; I555-L603 HydrophobicContact CD1-CD2 4.32Å; L603-I606 HydrophobicContact CD2-CD1 4.28Å |
| 604 | T | 40.9 | Very low | 57.7 | Low | 122 Ų | 122 | 73.6 Ų | 73.6 | 75% | 0.748 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -29.8 | 175.2 | 50.7 | 0 | 0 | 0 | 0 | 113.5 | L602 | L602-T604 PolarHBondContact O-N 3.19Š|
| 605 | D | 49.6 | Very low | 55.8 | Low | 85 Ų | 85 | 75.6 Ų | 75.6 | 46% | 0.455 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -97 | -3 | -170.1 | -61 | 7.3 | 0 | 0 | 0 | 112.2 | L602 Q608 | L602-D605 PolarHBondContact O-N 2.92Å; D605-Q608 PolarHBondContact O-NE2 2.84Å |
| 606 | I | 61.1 | Low | 54.2 | Low | 26 Ų | 26 | 77 Ų | 77 | 13% | 0.133 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -65.6 | -40.2 | -177.1 | -60.6 | -176 | 0 | 0 | 0 | 111.5 | I555 G598 G599 H601 L603 | I555-I606 HydrophobicContact CD1-CD1 4.07Å; I555-I606 HydrophobicContact CD1-CG2 4.34Å; G598-I606 WeakPolarHBondContact CA-O 3.33Å; G599-I606 PolarHBondContact N-O 3.38Å; H601-I606 VanDerWaalsContact O-CG1 3.3Å; H601-I606 WeakPolarHBondContact O-CG1 3.18Å; L603-I606 HydrophobicContact CD2-CD1 4.28Å |
| 607 | C | 68.5 | Low | 52.5 | Low | 25 Ų | 25 | 79.1 Ų | 79.1 | 17% | 0.169 | 43% | 0.434 | C | S | . | . | trans | -102.4 | 91.1 | -171.6 | -60 | 0 | 0 | 0 | 0 | 112.4 | C571 F609 | C571-C607 HydrophobicContact CB-CB 3.58Å; C571-C607 WeakPolarHBondContact CB-SG 3.34Å; C571-C607 WeakPolarHBondContact SG-CA 3.39Å; C571-C607 WeakPolarHBondContact SG-CB 3.34Å; C571-C607 CovalentContact SG-SG 2.04Å; C571-C607 PolarHBondContact SG-SG 3.35Å; C607-F609 HydrophobicContact CB-CE2 4.11Å | ||
| 608 | Q | 68.1 | Low | 51.4 | Low | 94 Ų | 94 | 80 Ų | 80 | 44% | 0.439 | 43% | 0.433 | S | S | . | . | trans | -112.5 | 102.8 | 178.5 | -63.8 | -174.8 | 12.4 | 0 | 0 | 111.9 | D605 N610 | D605-Q608 PolarHBondContact O-NE2 2.84Å; Q608-N610 PolarHBondContact O-N 2.74Å | ||
| 609 | F | 66.8 | Low | 50.6 | Low | 20 Ų | 20 | 81.4 Ų | 81.4 | 9% | 0.088 | 44% | 0.438 | C | S | . | . | trans | -85.4 | 29.5 | 177.8 | -60.3 | -88.1 | 0 | 0 | 0 | 113.5 | C571 E573 R594 A596 C607 | C571-F609 HydrophobicContact CB-CE2 4.45Å; C571-F609 HydrophobicContact CB-CZ 3.89Å; C571-F609 WeakPolarHBondContact O-CE1 3.42Å; C571-F609 WeakPolarHBondContact O-CZ 3.22Å; E573-F609 HydrophobicContact CB-CE1 4.12Å; E573-F609 HydrophobicContact CB-CE2 4.03Å; E573-F609 HydrophobicContact CB-CZ 3.57Å; R594-F609 HydrophobicContact CB-CD1 4.44Å; R594-F609 HydrophobicContact CG-CD1 3.75Å; R594-F609 HydrophobicContact CG-CE1 3.79Å; A596-F609 HydrophobicContact CB-CD1 3.47Å; A596-F609 VanDerWaalsContact CB-CD1 3.47Å; A596-F609 HydrophobicContact CB-CE1 3.61Å; A596-F609 HydrophobicContact CB-CG 4.08Å; A596-F609 HydrophobicContact CB-CZ 4.32Å; C607-F609 HydrophobicContact CB-CE2 4.11Å | ||
| 610 | N | 61.7 | Low | 50.3 | Low | 102 Ų | 102 | 79.9 Ų | 79.9 | 55% | 0.545 | 42% | 0.421 | S | S | . | . | trans | -83.2 | 143.9 | 177.8 | -76.2 | -1.1 | 0 | 0 | 0 | 111.3 | Q608 D612 N613 | Q608-N610 PolarHBondContact O-N 2.74Å; N610-D612 PolarHBondContact O-N 3.07Å; N610-D612 VanDerWaalsContact O-N 3.08Å; N610-N613 PolarHBondContact O-N 2.88Å | ||
| 611 | N | 52 | Low | 50.5 | Low | 85 Ų | 85 | 76.3 Ų | 76.3 | 46% | 0.455 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -59.6 | -21.5 | -177.8 | -73.4 | -30.8 | 0 | 0 | 0 | 114.4 | N613 Q614 | N611-N613 PolarHBondContact O-N 2.89Å; N611-Q614 VanDerWaalsContact O-CG 3.27Å; N611-Q614 WeakPolarHBondContact O-CG 3.42Å; N611-Q614 PolarHBondContact O-N 2.87Å |
| 612 | D | 45.1 | Very low | 51.5 | Low | 149 Ų | 149 | 70.7 Ų | 70.7 | 80% | 0.797 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -67.2 | -17.8 | -178.5 | -53.7 | -50.2 | 0 | 0 | 0 | 113.1 | N610 Q614 | N610-D612 PolarHBondContact O-N 3.07Å; N610-D612 VanDerWaalsContact O-N 3.08Å; D612-Q614 VanDerWaalsContact C-N 3.28Å; D612-Q614 PolarHBondContact O-N 3.12Å |
| 613 | N | 43.8 | Very low | 52.6 | Low | 79 Ų | 79 | 65 Ų | 65 | 42% | 0.422 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -88.8 | 31.7 | 178.4 | -70.7 | -27.4 | 0 | 0 | 0 | 113.6 | N610 N611 L615 | N610-N613 PolarHBondContact O-N 2.88Å; N611-N613 PolarHBondContact O-N 2.89Å; N613-L615 PolarHBondContact O-N 2.95Å |
| 614 | Q | 48.3 | Very low | 53.8 | Low | 145 Ų | 145 | 66.1 Ų | 66.1 | 68% | 0.678 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | 51.8 | 179.4 | -90.4 | -179.4 | 4.3 | 0 | 0 | 114.9 | N611 D612 L623 | N611-Q614 VanDerWaalsContact O-CG 3.27Å; N611-Q614 WeakPolarHBondContact O-CG 3.42Å; N611-Q614 PolarHBondContact O-N 2.87Å; D612-Q614 VanDerWaalsContact C-N 3.28Å; D612-Q614 PolarHBondContact O-N 3.12Å; Q614-L623 HydrophobicContact CG-CD1 3.89Å |
| 615 | L | 44.3 | Very low | 55.4 | Low | 85 Ų | 85 | 61.1 Ų | 61.1 | 45% | 0.445 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -29.5 | 169.4 | -72.6 | 171.2 | 0 | 0 | 0 | 112.4 | N613 | N613-L615 PolarHBondContact O-N 2.95Š|
| 616 | Y | 49.5 | Very low | 57 | Low | 32 Ų | 32 | 58.1 Ų | 58.1 | 13% | 0.125 | 30% | 0.304 | C | S | . | . | trans | -114.9 | 62.8 | -166.4 | -61.4 | -91.8 | 0 | 0 | 0 | 113 | M310 E313 V597 R618 | M310-Y616 HydrophobicContact CE-CD1 4.03Å; M310-Y616 HydrophobicContact CE-CE1 3.64Å; E313-Y616 HydrophobicContact CB-CE1 3.99Å; E313-Y616 HydrophobicContact CG-CE1 3.69Å; E313-Y616 PolarHBondContact OE1-OH 3.17Å; V597-Y616 HydrophobicContact CB-CD2 4.18Å; V597-Y616 HydrophobicContact CB-CE2 4.01Å; V597-Y616 HydrophobicContact CG1-CE2 4.06Å; V597-Y616 HydrophobicContact CG2-CD1 4.36Å; V597-Y616 HydrophobicContact CG2-CD2 3.31Å; V597-Y616 HydrophobicContact CG2-CE1 4.47Å; V597-Y616 HydrophobicContact CG2-CE2 3.49Å; V597-Y616 VanDerWaalsContact CG2-CE2 3.49Å; V597-Y616 HydrophobicContact CG2-CG 3.81Å; Y616-R618 PolarHBondContact O-N 2.85Å | ||
| 617 | G | 40.1 | Very low | 58.2 | Low | 51 Ų | 51 | 57 Ų | 57 | 53% | 0.526 | 30% | 0.298 | S | S | . | . | trans | -65.6 | 89.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 618 | R | 50.6 | Low | 59.1 | Low | 56 Ų | 56 | 56 Ų | 56 | 21% | 0.211 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -147 | 144.7 | 163 | -78.2 | -168.7 | 168.8 | -160.8 | -3.4 | 109.3 | L311 Y536 Y616 I620 Y621 | L311-R618 PolarHBondContact O-NE 3.29Å; L311-R618 PolarHBondContact O-NH1 2.96Å; Y536-R618 PolarHBondContact OH-NH1 3.44Å; Y616-R618 PolarHBondContact O-N 2.85Å; R618-I620 PolarHBondContact O-N 3.14Å; R618-Y621 HydrophobicContact CB-CD2 4.28Å; R618-Y621 CarbonylContact O-C 3.53Å; R618-Y621 PolarHBondContact O-N 2.88Å |
| 619 | T | 46.8 | Very low | 60 | Low | 50 Ų | 50 | 51.8 Ų | 51.8 | 31% | 0.307 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -26.4 | 174.6 | 47.3 | 0 | 0 | 0 | 0 | 114.5 | E498 P622 | E498-T619 VanDerWaalsContact OE1-CB 3.31Å; E498-T619 WeakPolarHBondContact OE1-CB 3.08Å; E498-T619 WeakPolarHBondContact OE1-CG2 3.39Å; E498-T619 WeakPolarHBondContact OE2-CG2 3.47Å; T619-P622 WeakPolarHBondContact O-CD 3.25Å |
| 620 | I | 51 | Low | 60.9 | Low | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -19.8 | 179 | -71.3 | 162.9 | 0 | 0 | 0 | 113.2 | L496 A517 F519 V528 Y536 R618 P622 | L496-I620 HydrophobicContact CD2-CG1 4.39Å; A517-I620 HydrophobicContact CB-CD1 3.89Å; A517-I620 HydrophobicContact CB-CG1 3.82Å; F519-I620 HydrophobicContact CZ-CG2 4.21Å; V528-I620 HydrophobicContact CG1-CG2 3.81Å; Y536-I620 HydrophobicContact CE1-CD1 4.04Å; Y536-I620 VanDerWaalsContact OH-CD1 3.28Å; Y536-I620 WeakPolarHBondContact OH-CD1 3.49Å; R618-I620 PolarHBondContact O-N 3.14Å; I620-P622 VanDerWaalsContact O-CD 3.28Å; I620-P622 WeakPolarHBondContact O-CD 3.49Å |
| 621 | Y | 57.4 | Low | 61.8 | Low | 14 Ų | 14 | 48.6 Ų | 48.6 | 6% | 0.055 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -118.2 | 59.5 | 176.3 | -51.2 | -53.2 | 0 | 0 | 0 | 112 | M538 L570 I595 R618 L623 | M538-Y621 HydrophobicContact CE-CE1 3.91Å; M538-Y621 WeakPolarHBondContact CE-OH 3.39Å; M538-Y621 PolarHBondContact SD-OH 3.2Å; M538-Y621 VanDerWaalsContact SD-OH 3.33Å; L570-Y621 HydrophobicContact CD1-CE1 3.98Å; I595-Y621 HydrophobicContact CB-CD1 4.39Å; I595-Y621 HydrophobicContact CD1-CD1 4.5Å; I595-Y621 HydrophobicContact CG2-CD1 3.96Å; R618-Y621 HydrophobicContact CB-CD2 4.28Å; R618-Y621 CarbonylContact O-C 3.53Å; R618-Y621 PolarHBondContact O-N 2.88Å; Y621-L623 PolarHBondContact O-N 3.45Å |
| 622 | P | 59.7 | Low | 62.4 | Low | 15 Ų | 15 | 50.9 Ų | 50.9 | 10% | 0.097 | 27% | 0.271 | C | S | . | . | trans | -74 | 126.5 | -176.5 | 35.3 | -35.9 | 0 | 0 | 0 | 109 | Y593 R594 I595 T619 I620 R624 N626 | Y593-P622 HydrophobicContact CE2-CG 4.25Å; R594-P622 VanDerWaalsContact CB-O 3.32Å; R594-P622 WeakPolarHBondContact CB-O 3.44Å; I595-P622 PolarHBondContact N-O 2.99Å; T619-P622 WeakPolarHBondContact O-CD 3.25Å; I620-P622 VanDerWaalsContact O-CD 3.28Å; I620-P622 WeakPolarHBondContact O-CD 3.49Å; P622-R624 VanDerWaalsContact C-N 3.27Å; P622-R624 CarbonylContact C-O 3.54Å; P622-R624 VanDerWaalsContact CB-O 3.29Å; P622-R624 WeakPolarHBondContact CB-O 3.18Å; P622-R624 VanDerWaalsContact O-O 3.12Å; P622-N626 HydrophobicContact CB-CB 4.48Å; P622-N626 HydrophobicContact CG-CB 3.92Å | ||
| 623 | L | 58.1 | Low | 63 | Low | 29 Ų | 29 | 47.2 Ų | 47.2 | 15% | 0.152 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -72.6 | -26.6 | 167.5 | -70.7 | 167.8 | 0 | 0 | 0 | 111.2 | R594 A596 Q614 Y621 | R594-L623 WeakPolarHBondContact CD-O 3.01Å; A596-L623 HydrophobicContact CB-CD2 4Å; Q614-L623 HydrophobicContact CG-CD1 3.89Å; Y621-L623 PolarHBondContact O-N 3.45Å |
| 624 | R | 66.9 | Low | 63.3 | Low | 122 Ų | 122 | 46.2 Ų | 46.2 | 46% | 0.46 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -77.4 | 159.6 | 164.6 | -59.6 | -176.7 | -176.9 | -147.3 | -2.8 | 109.2 | R594 P622 Y830 E831 | R594-R624 WeakPolarHBondContact CB-O 3.02Å; P622-R624 VanDerWaalsContact C-N 3.27Å; P622-R624 CarbonylContact C-O 3.54Å; P622-R624 VanDerWaalsContact CB-O 3.29Å; P622-R624 WeakPolarHBondContact CB-O 3.18Å; P622-R624 VanDerWaalsContact O-O 3.12Å; R624-Y830 PolarHBondContact NH1-O 3.43Å; R624-E831 IonicContact CZ-OE1 3.36Å; R624-E831 IonicContact NH1-OE1 3.27Å; R624-E831 PolarHBondContact NH1-OE1 2.89Å; R624-E831 IonicContact NH2-OE1 2.71Å; R624-E831 PolarHBondContact NH2-OE1 2.92Å |
| 625 | A | 74 | Confident | 63 | Low | 17 Ų | 17 | 48.8 Ų | 48.8 | 14% | 0.14 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -83.8 | 119.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y575 L592 Y593 | Y575-A625 HydrophobicContact CD2-CB 4.38Å; Y575-A625 HydrophobicContact CE2-CB 3.73Å; L592-A625 HydrophobicContact CD1-CB 3.61Å; L592-A625 HydrophobicContact CG-CB 3.99Å; Y593-A625 CarbonylContact O-C 3.58Å; Y593-A625 VanDerWaalsContact O-CA 3.27Å; Y593-A625 WeakPolarHBondContact O-CA 3.34Å |
| 626 | N | 83.5 | Confident | 62.8 | Low | 22 Ų | 22 | 52.1 Ų | 52.1 | 12% | 0.118 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 159.8 | 172.8 | -78.3 | 11.8 | 0 | 0 | 0 | 110.1 | L496 L592 Y593 P622 | L496-N626 HydrophobicContact CD1-CB 4.13Å; L592-N626 WeakPolarHBondContact CA-O 3.37Å; Y593-N626 HydrophobicContact CD1-CB 4.39Å; Y593-N626 WeakPolarHBondContact CD1-O 3.17Å; Y593-N626 HydrophobicContact CE1-CB 3.75Å; Y593-N626 PolarHBondContact N-O 3.34Å; Y593-N626 PolarHBondContact O-N 3.39Å; P622-N626 HydrophobicContact CB-CB 4.48Å; P622-N626 HydrophobicContact CG-CB 3.92Å |
| 627 | I | 85.9 | Confident | 62.4 | Low | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.015 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 126.1 | 179.8 | -66.4 | 170.5 | 0 | 0 | 0 | 110.2 | I591 L592 I629 F764 L778 I780 Q827 | I591-I627 WeakPolarHBondContact O-CA 3.27Å; L592-I627 HydrophobicContact CB-CG1 4.37Å; L592-I627 HydrophobicContact CD1-CD1 4.2Å; L592-I627 HydrophobicContact CD1-CG1 3.53Å; I627-I629 HydrophobicContact CG2-CG1 4.4Å; I627-F764 HydrophobicContact CD1-CD2 4.46Å; I627-F764 HydrophobicContact CD1-CE2 4.09Å; I627-F764 HydrophobicContact CG1-CE2 4.43Å; I627-L778 HydrophobicContact CD1-CD1 4.26Å; I627-L778 HydrophobicContact CD1-CD2 3.49Å; I627-L778 VanDerWaalsContact CD1-CD2 3.49Å; I627-I780 HydrophobicContact CD1-CD1 3.78Å; I627-I780 HydrophobicContact CD1-CG1 3.97Å; I627-I780 HydrophobicContact CG2-CG1 4.4Å; I627-Q827 PolarHBondContact O-NE2 2.9Å |
| 628 | L | 88.2 | Confident | 62.1 | Low | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 143 | 164.6 | -63 | 172.3 | 0 | 0 | 0 | 109.8 | W494 D495 L496 F519 S590 I591 Y593 | W494-L628 HydrophobicContact CB-CB 4.13Å; W494-L628 HydrophobicContact CB-CD1 4.21Å; W494-L628 HydrophobicContact CE3-CB 4.4Å; D495-L628 WeakPolarHBondContact O-CA 3.46Å; L496-L628 HydrophobicContact CB-CD2 3.71Å; L496-L628 HydrophobicContact CD1-CD2 4.26Å; F519-L628 HydrophobicContact CB-CD1 4.16Å; F519-L628 HydrophobicContact CD1-CD1 4.12Å; F519-L628 HydrophobicContact CD2-CD1 4.4Å; F519-L628 HydrophobicContact CD2-CD2 3.73Å; F519-L628 HydrophobicContact CE2-CD2 4.02Å; F519-L628 HydrophobicContact CG-CD1 4.01Å; F519-L628 HydrophobicContact CG-CD2 4.18Å; S590-L628 CarbonylContact C-O 3.58Å; S590-L628 WeakPolarHBondContact CA-O 3.45Å; S590-L628 WeakPolarHBondContact CB-O 3.33Å; I591-L628 HydrophobicContact CB-CB 4.39Å; I591-L628 PolarHBondContact N-O 2.93Å; I591-L628 PolarHBondContact O-N 3.23Å; Y593-L628 HydrophobicContact CD1-CD1 3.85Å; Y593-L628 HydrophobicContact CD1-CD2 4.42Å; Y593-L628 HydrophobicContact CD1-CG 3.63Å; Y593-L628 HydrophobicContact CE1-CD1 4Å; Y593-L628 HydrophobicContact CE1-CD2 3.82Å; Y593-L628 HydrophobicContact CE1-CG 3.54Å; Y593-L628 HydrophobicContact CG-CD1 4.34Å |
| 629 | I | 86.1 | Confident | 61.4 | Low | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 139 | 174.6 | -58 | -174.7 | 0 | 0 | 0 | 108.7 | W494 D495 I627 N631 I761 I780 Y789 P826 | W494-I629 CarbonylContact C-O 3.56Å; W494-I629 WeakPolarHBondContact CA-O 3.44Å; D495-I629 PolarHBondContact N-O 3.09Å; D495-I629 PolarHBondContact O-N 3.07Å; I627-I629 HydrophobicContact CG2-CG1 4.4Å; I629-N631 PolarHBondContact O-N 2.73Å; I629-I761 HydrophobicContact CG2-CG2 4.09Å; I629-I780 HydrophobicContact CD1-CG2 4.24Å; I629-Y789 HydrophobicContact CD1-CD1 3.41Å; I629-Y789 VanDerWaalsContact CD1-CD1 3.41Å; I629-Y789 HydrophobicContact CD1-CD2 4.23Å; I629-Y789 HydrophobicContact CD1-CE1 3.58Å; I629-Y789 HydrophobicContact CD1-CE2 4.38Å; I629-Y789 HydrophobicContact CD1-CG 3.75Å; I629-Y789 HydrophobicContact CG2-CE1 4.09Å; I629-P826 HydrophobicContact CD1-CB 3.95Å; I629-P826 HydrophobicContact CD1-CG 4.13Å |
| 630 | R | 85.3 | Confident | 61 | Low | 19 Ų | 19 | 60.2 Ų | 60.2 | 7% | 0.072 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 127.9 | 179 | -179.3 | 165.2 | -87.4 | 173.4 | -13.8 | 110.3 | N489 Y491 W494 N587 V588 N589 T632 | N489-R630 PolarHBondContact O-NH2 2.8Å; Y491-R630 PolarHBondContact O-NH2 2.92Å; W494-R630 HydrophobicContact CE3-CB 3.82Å; W494-R630 HydrophobicContact CH2-CB 4.15Å; W494-R630 VanDerWaalsContact CZ2-NH2 3.34Å; W494-R630 HydrophobicContact CZ3-CB 3.6Å; W494-R630 HydrophobicContact CZ3-CG 4.47Å; N587-R630 VanDerWaalsContact CB-NH1 3.34Å; N587-R630 VanDerWaalsContact CG-NH1 3.27Å; N587-R630 PolarHBondContact OD1-NH1 3.34Å; V588-R630 PolarHBondContact O-NE 3Å; V588-R630 PolarHBondContact O-NH1 2.88Å; N589-R630 PolarHBondContact O-N 3.12Å; R630-T632 PolarHBondContact O-N 3.14Å |
| 631 | N | 80.5 | Confident | 60.5 | Low | 36 Ų | 36 | 65.6 Ų | 65.6 | 19% | 0.193 | 36% | 0.364 | C | S | . | . | trans | -69.7 | 123.3 | 178.3 | -169.5 | -65.7 | 0 | 0 | 0 | 110 | T493 D495 I629 A633 | T493-N631 HydrophobicContact CG2-CB 4Å; T493-N631 PolarHBondContact O-N 2.67Å; D495-N631 PolarHBondContact OD1-ND2 3.02Å; D495-N631 VanDerWaalsContact OD2-CB 3.26Å; D495-N631 WeakPolarHBondContact OD2-CB 3.41Å; D495-N631 PolarHBondContact OD2-ND2 2.78Å; I629-N631 PolarHBondContact O-N 2.73Å; N631-A633 VanDerWaalsContact OD1-CB 3.29Å; N631-A633 WeakPolarHBondContact OD1-CB 3.26Å; N631-A633 PolarHBondContact OD1-N 3.46Å | ||
| 632 | T | 64.6 | Low | 60 | Low | 134 Ų | 134 | 69.3 Ų | 69.3 | 82% | 0.822 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -4.5 | -175.3 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | R630 D634 | R630-T632 PolarHBondContact O-N 3.14Å; T632-D634 VanDerWaalsContact C-N 3.28Å; T632-D634 PolarHBondContact O-N 2.87Å |
| 633 | A | 57.6 | Low | 59.6 | Low | 71 Ų | 71 | 71.8 Ų | 71.8 | 59% | 0.587 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -3.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N631 K635 | N631-A633 VanDerWaalsContact OD1-CB 3.29Å; N631-A633 WeakPolarHBondContact OD1-CB 3.26Å; N631-A633 PolarHBondContact OD1-N 3.46Å; A633-K635 VanDerWaalsContact C-N 3.29Å; A633-K635 WeakPolarHBondContact O-CG 3.34Å; A633-K635 PolarHBondContact O-N 2.9Å |
| 634 | D | 51.3 | Low | 59.7 | Low | 59 Ų | 59 | 72.1 Ų | 72.1 | 32% | 0.316 | 40% | 0.403 | S | S | . | . | trans | -75 | 77.4 | 177.9 | -133.2 | -33.3 | 0 | 0 | 0 | 110.6 | T493 T632 N636 I637 | T493-D634 WeakPolarHBondContact CB-OD2 3.39Å; T493-D634 PolarHBondContact OG1-OD2 2.99Å; T632-D634 VanDerWaalsContact C-N 3.28Å; T632-D634 PolarHBondContact O-N 2.87Å; D634-N636 PolarHBondContact O-N 3.31Å; D634-I637 PolarHBondContact O-N 2.85Å | ||
| 635 | K | 41.8 | Very low | 59.8 | Low | 199 Ų | 199 | 71.6 Ų | 71.6 | 87% | 0.865 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -4.6 | -166.2 | -64.5 | -177.4 | -178.3 | 174.7 | 0 | 117.6 | A633 | A633-K635 VanDerWaalsContact C-N 3.29Å; A633-K635 WeakPolarHBondContact O-CG 3.34Å; A633-K635 PolarHBondContact O-N 2.9Å |
| 636 | N | 40.6 | Very low | 59.6 | Low | 155 Ų | 155 | 71.1 Ų | 71.1 | 83% | 0.829 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -3.3 | -176.8 | -66.1 | -35.7 | 0 | 0 | 0 | 113.8 | D634 | D634-N636 PolarHBondContact O-N 3.31Š|
| 637 | I | 40.4 | Very low | 58.7 | Low | 75 Ų | 75 | 71.5 Ų | 71.5 | 39% | 0.385 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -94 | 128 | 175.6 | -56.7 | -178.5 | 0 | 0 | 0 | 109.3 | D634 A639 | D634-I637 PolarHBondContact O-N 2.85Å; I637-A639 PolarHBondContact O-N 3.03Å |
| 638 | I | 33.6 | Very low | 57.8 | Low | 139 Ų | 139 | 72 Ų | 72 | 71% | 0.713 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 133.1 | 174.8 | -59.9 | 166 | 0 | 0 | 0 | 108.6 | ||
| 639 | A | 35.2 | Very low | 56.2 | Low | 77 Ų | 77 | 77.4 Ų | 77.4 | 64% | 0.636 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -47.1 | 128 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | I637 T641 | I637-A639 PolarHBondContact O-N 3.03Å; A639-T641 PolarHBondContact O-N 2.78Å |
| 640 | P | 39.4 | Very low | 54.8 | Low | 67 Ų | 67 | 80.7 Ų | 80.7 | 44% | 0.435 | 45% | 0.448 | S | S | . | . | trans | -62.8 | 104.2 | -163.5 | 22.7 | -33.5 | 0 | 0 | 0 | 110.9 | D642 | P640-D642 VanDerWaalsContact C-N 3.31Š| ||
| 641 | T | 39.9 | Very low | 53.7 | Low | 116 Ų | 116 | 80.9 Ų | 80.9 | 71% | 0.712 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -70.8 | -30.1 | -176.8 | 46.6 | 0 | 0 | 0 | 0 | 112.3 | A639 V643 | A639-T641 PolarHBondContact O-N 2.78Å; T641-V643 PolarHBondContact O-N 2.97Å |
| 642 | D | 46.8 | Very low | 53.5 | Low | 92 Ų | 92 | 84.3 Ų | 84.3 | 49% | 0.492 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -91.4 | 95.3 | 173.1 | -59.8 | -52.1 | 0 | 0 | 0 | 108.9 | P640 | P640-D642 VanDerWaalsContact C-N 3.31Š|
| 643 | V | 52.7 | Low | 54.4 | Low | 68 Ų | 68 | 78 Ų | 78 | 41% | 0.412 | 42% | 0.421 | S | S | . | . | trans | -87.4 | 133.4 | -174.4 | -163.7 | 0 | 0 | 0 | 0 | 111 | T641 K645 N737 | T641-V643 PolarHBondContact O-N 2.97Å; V643-K645 PolarHBondContact O-N 3.08Å; V643-K645 VanDerWaalsContact O-N 3.17Å; V643-N737 HydrophobicContact CG1-CB 3.82Å; V643-N737 VanDerWaalsContact CG1-CG 3.5Å; V643-N737 VanDerWaalsContact CG1-ND2 3.32Å; V643-N737 WeakPolarHBondContact CG1-ND2 3.45Å | ||
| 644 | T | 59.1 | Low | 55.7 | Low | 35 Ų | 35 | 76.3 Ų | 76.3 | 22% | 0.215 | 40% | 0.404 | C | S | . | . | trans | -71 | 108.1 | -176 | -11.8 | 0 | 0 | 0 | 0 | 111.9 | N589 I761 | N589-T644 PolarHBondContact ND2-OG1 3.19Å; N589-T644 VanDerWaalsContact ND2-OG1 3.1Å; T644-I761 WeakPolarHBondContact CB-O 3.49Å; T644-I761 WeakPolarHBondContact CG2-O 3.38Å; T644-I761 PolarHBondContact OG1-O 2.87Å | ||
| 645 | K | 68.6 | Low | 57.4 | Low | 111 Ų | 111 | 74.7 Ų | 74.7 | 48% | 0.483 | 40% | 0.401 | S | S | . | . | trans | -72.1 | 143.4 | -177.5 | -63.4 | 176.9 | -175 | -179.9 | 0 | 111.8 | V643 G647 Y649 N737 | V643-K645 PolarHBondContact O-N 3.08Å; V643-K645 VanDerWaalsContact O-N 3.17Å; K645-G647 PolarHBondContact O-N 2.92Å; K645-G647 VanDerWaalsContact O-N 3.14Å; K645-Y649 HydrophobicContact CB-CE1 4.04Å; K645-Y649 VanDerWaalsContact CB-OH 3.29Å; K645-Y649 WeakPolarHBondContact CB-OH 3.26Å; K645-Y649 HydrophobicContact CD-CE1 4.01Å; K645-N737 WeakPolarHBondContact CA-OD1 3.44Å; K645-N737 WeakPolarHBondContact CG-OD1 3.45Å | ||
| 646 | C | 71 | Confident | 59.6 | Low | 7 Ų | 7 | 70.8 Ų | 70.8 | 5% | 0.047 | 38% | 0.384 | C | S | . | . | trans | -66.4 | -14.2 | -175.7 | -55.3 | 0 | 0 | 0 | 0 | 115.6 | L648 D724 C760 | C646-L648 VanDerWaalsContact C-N 3.29Å; C646-L648 PolarHBondContact O-N 3.31Å; C646-D724 HydrophobicContact CB-CB 4.01Å; C646-C760 HydrophobicContact CB-CB 4.02Å; C646-C760 WeakPolarHBondContact CB-SG 3.48Å; C646-C760 WeakPolarHBondContact SG-CB 3.38Å; C646-C760 CovalentContact SG-SG 2.04Å; C646-C760 PolarHBondContact SG-SG 2.82Å | ||
| 647 | G | 65.2 | Low | 61.7 | Low | 31 Ų | 31 | 63.4 Ų | 63.4 | 32% | 0.32 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 78.5 | -5.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | K645 Y649 | K645-G647 PolarHBondContact O-N 2.92Å; K645-G647 VanDerWaalsContact O-N 3.14Å; G647-Y649 VanDerWaalsContact C-N 3.28Å; G647-Y649 WeakPolarHBondContact O-CD2 3.34Å; G647-Y649 PolarHBondContact O-N 2.83Å |
| 648 | L | 65.5 | Low | 63.7 | Low | 12 Ų | 12 | 62.3 Ų | 62.3 | 6% | 0.063 | 34% | 0.337 | C | S | . | . | trans | -92.8 | 28.3 | -173.5 | -77.8 | 167.2 | 0 | 0 | 0 | 114 | C646 Q650 I651 L653 I722 D724 L739 L779 I794 | C646-L648 VanDerWaalsContact C-N 3.29Å; C646-L648 PolarHBondContact O-N 3.31Å; L648-Q650 PolarHBondContact O-N 2.73Å; L648-I651 PolarHBondContact O-N 3.02Å; L648-L653 HydrophobicContact CD2-CD1 4.11Å; L648-I722 HydrophobicContact CD1-CG2 4.23Å; L648-D724 HydrophobicContact CB-CB 4.39Å; L648-D724 PolarHBondContact N-OD2 2.74Å; L648-L739 HydrophobicContact CD1-CD1 3.55Å; L648-L779 HydrophobicContact CD1-CD2 4.42Å; L648-I794 HydrophobicContact CD1-CD1 4.06Å; L648-I794 HydrophobicContact CD2-CD1 4.08Å; L648-I794 HydrophobicContact CG-CD1 4.31Å | ||
| 649 | Y | 55.8 | Low | 65.8 | Low | 118 Ų | 118 | 55.8 Ų | 55.8 | 46% | 0.463 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -41.6 | 103.2 | -161.5 | -58.6 | -69.4 | 0 | 0 | 0 | 115.6 | K645 G647 I651 D724 F735 | K645-Y649 HydrophobicContact CB-CE1 4.04Å; K645-Y649 VanDerWaalsContact CB-OH 3.29Å; K645-Y649 WeakPolarHBondContact CB-OH 3.26Å; K645-Y649 HydrophobicContact CD-CE1 4.01Å; G647-Y649 VanDerWaalsContact C-N 3.28Å; G647-Y649 WeakPolarHBondContact O-CD2 3.34Å; G647-Y649 PolarHBondContact O-N 2.83Å; Y649-I651 VanDerWaalsContact C-N 3.33Å; Y649-I651 PolarHBondContact O-N 3.33Å; Y649-D724 PolarHBondContact N-OD2 2.96Å; Y649-F735 HydrophobicContact CD1-CE1 4.27Å; Y649-F735 HydrophobicContact CD1-CZ 4.23Å |
| 650 | Q | 56.1 | Low | 67.6 | Low | 74 Ų | 74 | 53.3 Ų | 53.3 | 35% | 0.346 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 13.1 | 173.3 | -47.4 | -162.7 | -24.3 | 0 | 0 | 116.4 | L648 D724 F735 R875 | L648-Q650 PolarHBondContact O-N 2.73Å; Q650-D724 PolarHBondContact N-OD1 3.23Å; Q650-F735 HydrophobicContact CG-CE1 3.82Å; Q650-F735 HydrophobicContact CG-CZ 3.48Å; Q650-F735 VanDerWaalsContact CG-CZ 3.48Å; Q650-R875 VanDerWaalsContact OE1-CZ 3.23Å |
| 651 | I | 62.6 | Low | 68.4 | Low | 23 Ų | 23 | 52 Ų | 52 | 12% | 0.118 | 27% | 0.269 | C | S | . | . | trans | -94.1 | 114.4 | 179.1 | -51.4 | -175.6 | 0 | 0 | 0 | 110.1 | L648 Y649 L653 F877 | L648-I651 PolarHBondContact O-N 3.02Å; Y649-I651 VanDerWaalsContact C-N 3.33Å; Y649-I651 PolarHBondContact O-N 3.33Å; I651-L653 HydrophobicContact CG2-CD2 3.52Å; I651-L653 HydrophobicContact CG2-CG 3.83Å; I651-L653 PolarHBondContact O-N 2.83Å; I651-F877 HydrophobicContact CD1-CD2 4.48Å; I651-F877 HydrophobicContact CD1-CE1 4.1Å; I651-F877 HydrophobicContact CD1-CE2 3.48Å; I651-F877 VanDerWaalsContact CD1-CE2 3.48Å; I651-F877 HydrophobicContact CD1-CZ 3.26Å | ||
| 652 | R | 75 | Confident | 68.6 | Low | 108 Ų | 108 | 51 Ų | 51 | 41% | 0.408 | 26% | 0.263 | S | S | . | . | trans | -80.4 | 99.4 | 165.5 | -169.9 | -171.8 | -167.2 | -155.8 | -1.9 | 108.2 | T654 E721 T854 | R652-T654 HydrophobicContact CG-CG2 4.35Å; R652-E721 HydrophobicContact CG-CG 4.34Å; R652-E721 IonicContact CZ-OE1 3.43Å; R652-E721 IonicContact CZ-OE2 3.63Å; R652-E721 IonicContact NE-OE1 3.38Å; R652-E721 PolarHBondContact NE-OE1 3.38Å; R652-E721 IonicContact NE-OE2 2.77Å; R652-E721 PolarHBondContact NE-OE2 3.3Å; R652-E721 VanDerWaalsContact NH2-CD 3.3Å; R652-E721 IonicContact NH2-OE1 2.79Å; R652-E721 PolarHBondContact NH2-OE1 2.88Å; R652-E721 IonicContact NH2-OE2 3.66Å; R652-E721 PolarHBondContact NH2-OE2 3.42Å; R652-T854 PolarHBondContact O-N 2.85Å; R652-T854 VanDerWaalsContact O-N 3.13Å; R652-T854 PolarHBondContact O-OG1 2.83Å | ||
| 653 | L | 83.6 | Confident | 68.1 | Low | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 126.7 | 177 | -68.9 | 178.5 | 0 | 0 | 0 | 109.5 | L648 I651 E721 I722 Y818 L851 T852 | L648-L653 HydrophobicContact CD2-CD1 4.11Å; I651-L653 HydrophobicContact CG2-CD2 3.52Å; I651-L653 HydrophobicContact CG2-CG 3.83Å; I651-L653 PolarHBondContact O-N 2.83Å; L653-E721 CarbonylContact O-C 3.6Å; L653-E721 WeakPolarHBondContact O-CA 3.39Å; L653-I722 HydrophobicContact CB-CB 4.34Å; L653-I722 HydrophobicContact CD1-CG2 4.44Å; L653-I722 PolarHBondContact N-O 2.76Å; L653-I722 PolarHBondContact O-N 3.27Å; L653-Y818 HydrophobicContact CD1-CD1 4.28Å; L653-Y818 HydrophobicContact CD1-CG 4.25Å; L653-Y818 HydrophobicContact CD2-CD1 4.34Å; L653-Y818 HydrophobicContact CD2-CD2 3.43Å; L653-Y818 VanDerWaalsContact CD2-CD2 3.43Å; L653-Y818 HydrophobicContact CD2-CE1 4.39Å; L653-Y818 HydrophobicContact CD2-CE2 3.5Å; L653-Y818 HydrophobicContact CD2-CG 3.9Å; L653-L851 HydrophobicContact CB-CB 4.07Å; L653-L851 HydrophobicContact CB-CD1 3.88Å; L653-L851 HydrophobicContact CB-CG 4.49Å; L653-L851 HydrophobicContact CD1-CD1 4.09Å; L653-T852 WeakPolarHBondContact CA-O 3.38Å |
| 654 | T | 85.6 | Confident | 67.1 | Low | 36 Ų | 36 | 55.3 Ų | 55.3 | 22% | 0.221 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 147.6 | 176.9 | 61.9 | 0 | 0 | 0 | 0 | 110.8 | R652 V720 E721 L851 T852 T854 | R652-T654 HydrophobicContact CG-CG2 4.35Å; T654-V720 WeakPolarHBondContact CA-O 3.09Å; T654-E721 HydrophobicContact CG2-CB 4.44Å; T654-E721 HydrophobicContact CG2-CG 4.4Å; T654-L851 WeakPolarHBondContact O-CA 3.41Å; T654-T852 PolarHBondContact N-O 3.45Å; T654-T852 PolarHBondContact O-N 3.26Å; T654-T854 HydrophobicContact CG2-CG2 4.16Å; T654-T854 WeakPolarHBondContact OG1-CG2 3.45Å |
| 655 | G | 86.7 | Confident | 65.9 | Low | 26 Ų | 26 | 56.7 Ų | 56.7 | 27% | 0.268 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.3 | -136.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S719 V720 L850 | G655-S719 WeakPolarHBondContact O-CA 3.38Å; G655-V720 PolarHBondContact N-O 3.28Å; G655-V720 PolarHBondContact O-N 3.32Å; G655-L850 CarbonylContact C-O 3.57Å; G655-L850 WeakPolarHBondContact CA-O 3.16Å |
| 656 | K | 87.4 | Confident | 63.8 | Low | 116 Ų | 116 | 60.5 Ų | 60.5 | 50% | 0.504 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 126.4 | -171.4 | -67.2 | -178.6 | 176.5 | -173.3 | 0 | 111.9 | F658 P717 C718 L849 L850 | K656-F658 HydrophobicContact CB-CE2 3.84Å; K656-F658 HydrophobicContact CB-CZ 4.37Å; K656-P717 HydrophobicContact CB-CB 4.01Å; K656-P717 HydrophobicContact CD-CB 3.89Å; K656-P717 HydrophobicContact CD-CG 4.28Å; K656-P717 HydrophobicContact CG-CB 4.15Å; K656-C718 WeakPolarHBondContact CA-O 3.25Å; K656-L849 WeakPolarHBondContact O-CA 3.38Å; K656-L850 PolarHBondContact N-O 2.68Å; K656-L850 PolarHBondContact O-N 2.87Å |
| 657 | L | 85 | Confident | 62 | Low | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 135.3 | 167.4 | 171 | 64.3 | 0 | 0 | 0 | 109.7 | I659 P717 C718 V720 H743 F754 A847 L849 | L657-I659 HydrophobicContact CG-CG1 4.47Å; L657-P717 WeakPolarHBondContact O-CA 3.42Å; L657-C718 PolarHBondContact N-O 3.08Å; L657-C718 PolarHBondContact O-N 3.13Å; L657-C718 VanDerWaalsContact O-N 3.09Å; L657-V720 HydrophobicContact CB-CB 3.81Å; L657-V720 HydrophobicContact CB-CG1 3.78Å; L657-V720 HydrophobicContact CB-CG2 4.33Å; L657-H743 HydrophobicContact CD2-CB 4.11Å; L657-F754 HydrophobicContact CD1-CD1 4.21Å; L657-F754 HydrophobicContact CD1-CE1 3.74Å; L657-F754 HydrophobicContact CD1-CZ 4.09Å; L657-F754 HydrophobicContact CD2-CB 4.37Å; L657-F754 HydrophobicContact CD2-CD1 3.74Å; L657-F754 HydrophobicContact CD2-CD2 4.19Å; L657-F754 HydrophobicContact CD2-CE1 4.05Å; L657-F754 HydrophobicContact CD2-CE2 4.46Å; L657-F754 HydrophobicContact CD2-CG 3.83Å; L657-F754 HydrophobicContact CD2-CZ 4.41Å; L657-A847 HydrophobicContact CD1-CB 3.88Å; L657-L849 HydrophobicContact CD1-CD1 3.68Å; L657-L849 HydrophobicContact CD1-CG 3.83Å |
| 658 | F | 83.9 | Confident | 60.1 | Low | 53 Ų | 53 | 68.9 Ų | 68.9 | 23% | 0.232 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 122.2 | 167.2 | -57.5 | -102.4 | 0 | 0 | 0 | 107.7 | K656 L660 P717 A847 K848 L850 | K656-F658 HydrophobicContact CB-CE2 3.84Å; K656-F658 HydrophobicContact CB-CZ 4.37Å; F658-L660 HydrophobicContact CB-CD2 4.44Å; F658-P717 HydrophobicContact CD1-CB 4.21Å; F658-P717 HydrophobicContact CE1-CB 3.72Å; F658-P717 HydrophobicContact CE1-CG 4.17Å; F658-P717 HydrophobicContact CE2-CB 4.31Å; F658-P717 HydrophobicContact CZ-CB 3.79Å; F658-P717 HydrophobicContact CZ-CG 4.41Å; F658-A847 VanDerWaalsContact O-CA 3.3Å; F658-A847 WeakPolarHBondContact O-CA 3.5Å; F658-K848 PolarHBondContact N-O 2.97Å; F658-K848 PolarHBondContact O-N 2.95Å; F658-L850 HydrophobicContact CE2-CD1 3.83Å; F658-L850 HydrophobicContact CE2-CG 4.12Å; F658-L850 HydrophobicContact CZ-CD1 4.38Å |
| 659 | I | 76.6 | Confident | 58.2 | Low | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.005 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 123.4 | 169.3 | -62.2 | 172.8 | 0 | 0 | 0 | 107.2 | L657 Q715 T748 F754 | L657-I659 HydrophobicContact CG-CG1 4.47Å; I659-Q715 HydrophobicContact CB-CB 4.19Å; I659-Q715 PolarHBondContact N-O 2.95Å; I659-Q715 PolarHBondContact O-N 2.77Å; I659-T748 HydrophobicContact CD1-CG2 3.73Å; I659-F754 HydrophobicContact CD1-CE2 4.3Å; I659-F754 HydrophobicContact CG1-CE2 4.25Å |
| 660 | L | 72.2 | Confident | 56.8 | Low | 25 Ų | 25 | 75.2 Ų | 75.2 | 13% | 0.131 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 105.9 | -177.5 | -56.6 | -177.9 | 0 | 0 | 0 | 107.7 | F658 T662 Y714 A845 F846 K848 | F658-L660 HydrophobicContact CB-CD2 4.44Å; L660-T662 PolarHBondContact O-N 3.11Å; L660-Y714 HydrophobicContact CB-CD1 4.45Å; L660-Y714 HydrophobicContact CB-CE1 4.35Å; L660-Y714 HydrophobicContact CD2-CD1 3.69Å; L660-Y714 HydrophobicContact CD2-CE1 3.58Å; L660-Y714 HydrophobicContact CD2-CG 4.41Å; L660-A845 WeakPolarHBondContact CB-O 3.32Å; L660-A845 HydrophobicContact CD1-CB 4.04Å; L660-A845 WeakPolarHBondContact CD1-O 2.99Å; L660-F846 PolarHBondContact N-O 3.1Å; L660-K848 HydrophobicContact CD1-CB 4.07Å; L660-K848 HydrophobicContact CD2-CB 4.41Å; L660-K848 HydrophobicContact CG-CB 4.38Å |
| 661 | N | 57.3 | Low | 55.4 | Low | 39 Ų | 39 | 80.2 Ų | 80.2 | 21% | 0.209 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -85.7 | 117.3 | -159.3 | -152.1 | 48.7 | 0 | 0 | 0 | 111.8 | S713 I749 | N661-S713 WeakPolarHBondContact CB-O 3.48Å; N661-S713 PolarHBondContact ND2-OG 3.04Å; N661-I749 VanDerWaalsContact OD1-CD1 3.29Å; N661-I749 WeakPolarHBondContact OD1-CD1 3.37Å |
| 662 | T | 43.4 | Very low | 53.7 | Low | 96 Ų | 96 | 85.9 Ų | 85.9 | 59% | 0.589 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -66.7 | 159.2 | 144.6 | 41.8 | 0 | 0 | 0 | 0 | 109.2 | L660 | L660-T662 PolarHBondContact O-N 3.11Š|
| 663 | E | 36.5 | Very low | 51.3 | Low | 154 Ų | 154 | 87.8 Ų | 87.8 | 72% | 0.72 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 139.2 | -168.6 | -62.2 | -174.3 | 140.6 | 0 | 0 | 113.4 | T665 | E663-T665 PolarHBondContact O-N 2.79Š|
| 664 | P | 32.5 | Very low | 48.7 | Very low | 96 Ų | 96 | 97.1 Ų | 97.1 | 62% | 0.623 | 53% | 0.526 | S | S | * | . | trans | -73.7 | 93.2 | -170.5 | 30.1 | -35.4 | 0 | 0 | 0 | 111.9 | ||||
| 665 | T | 32.4 | Very low | 45.8 | Very low | 64 Ų | 64 | 102 Ų | 102 | 39% | 0.393 | 55% | 0.551 | S | S | . | * | trans | -67.9 | 137 | 171.6 | 50.3 | 0 | 0 | 0 | 0 | 111.2 | Y508 E663 F667 | Y508-T665 HydrophobicContact CD1-CG2 3.37Å; Y508-T665 HydrophobicContact CD2-CG2 4.01Å; Y508-T665 HydrophobicContact CE1-CG2 3.7Å; Y508-T665 HydrophobicContact CE2-CG2 4.31Å; Y508-T665 HydrophobicContact CG-CG2 3.53Å; E663-T665 PolarHBondContact O-N 2.79Å; T665-F667 PolarHBondContact O-N 2.94Å | ||
| 666 | Q | 26.3 | Very low | 43 | Very low | 192 Ų | 192 | 108.1 Ų | 108.1 | 90% | 0.897 | 58% | 0.576 | S | S | * | * | trans | -67.4 | 123.5 | -179.8 | -67.1 | 177.5 | -16.8 | 0 | 0 | 110.9 | G668 | Q666-G668 PolarHBondContact O-N 3.2Å; Q666-G668 VanDerWaalsContact O-N 3.17Å | ||
| 667 | F | 32.5 | Very low | 40.1 | Very low | 139 Ų | 139 | 108.3 Ų | 108.3 | 61% | 0.61 | 59% | 0.587 | S | S | * | * | trans | -64.6 | 114.5 | 168.4 | -82.9 | -89.1 | 0 | 0 | 0 | 109.8 | T665 G669 I749 | T665-F667 PolarHBondContact O-N 2.94Å; F667-G669 PolarHBondContact O-N 2.83Å; F667-I749 HydrophobicContact CE2-CB 4.3Å; F667-I749 HydrophobicContact CE2-CG1 4.27Å; F667-I749 HydrophobicContact CE2-CG2 3.96Å; F667-I749 HydrophobicContact CZ-CB 4.45Å; F667-I749 HydrophobicContact CZ-CG2 3.9Å; F667-I749 WeakPolarHBondContact CZ-O 3.27Å | ||
| 668 | G | 26 | Very low | 37.6 | Very low | 75 Ų | 75 | 114 Ų | 114 | 77% | 0.773 | 62% | 0.617 | S | S | * | * | trans | -61.3 | 124.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q666 Q670 | Q666-G668 PolarHBondContact O-N 3.2Å; Q666-G668 VanDerWaalsContact O-N 3.17Å; G668-Q670 PolarHBondContact O-N 2.92Å | ||
| 669 | G | 24.6 | Very low | 35 | Very low | 73 Ų | 73 | 120.6 Ų | 120.6 | 75% | 0.753 | 65% | 0.646 | S | S | * | * | trans | -68.5 | 115.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114 | F667 | F667-G669 PolarHBondContact O-N 2.83Š| ||
| 670 | Q | 26.3 | Very low | 32.7 | Very low | 189 Ų | 189 | 128.6 Ų | 128.6 | 88% | 0.883 | 68% | 0.683 | S | S | * | * | trans | -116 | 84.2 | 135.9 | -78.1 | -164.9 | -33.3 | 0 | 0 | 108.8 | G668 | G668-Q670 PolarHBondContact O-N 2.92Š| ||
| 671 | E | 26.9 | Very low | 30.8 | Very low | 179 Ų | 179 | 130.6 Ų | 130.6 | 84% | 0.836 | 70% | 0.703 | S | S | * | * | trans | -61.3 | 162.4 | 148.7 | -61.5 | -176.7 | 129 | 0 | 0 | 108.8 | ||||
| 672 | D | 26.3 | Very low | 29.7 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 77% | 0.765 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 61.1 | 72.5 | -179.5 | -66.4 | -23 | 0 | 0 | 0 | 118 | ||
| 673 | L | 26.3 | Very low | 29 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -149.1 | -16.3 | 142.2 | -133.9 | 119.7 | 0 | 0 | 0 | 117.2 | ||
| 674 | F | 27.4 | Very low | 28.7 | Very low | 196 Ų | 196 | 135.6 Ų | 135.6 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -104.8 | 14.8 | -174.7 | -81.4 | -78.6 | 0 | 0 | 0 | 116 | I676 | F674-I676 VanDerWaalsContact C-N 3.34Å; F674-I676 PolarHBondContact O-N 2.97Å |
| 675 | N | 26.1 | Very low | 28.8 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | trans | -89.4 | 15.1 | -174.1 | -130 | -16.3 | 0 | 0 | 0 | 115.3 | ||||
| 676 | I | 27.2 | Very low | 28.7 | Very low | 155 Ų | 155 | 145 Ų | 145 | 80% | 0.795 | 75% | 0.754 | S | S | * | * | trans | -128.3 | 93.4 | 168.7 | -59.4 | 90.6 | 0 | 0 | 0 | 110.3 | F674 | F674-I676 VanDerWaalsContact C-N 3.34Å; F674-I676 PolarHBondContact O-N 2.97Å | ||
| 677 | T | 27.1 | Very low | 28.9 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -163.8 | 119.1 | 147.3 | 1.7 | 0 | 0 | 0 | 0 | 112.3 | K679 | T677-K679 PolarHBondContact O-N 3.19Š|
| 678 | N | 31 | Very low | 28.6 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 64% | 0.642 | 76% | 0.761 | S | S | * | * | trans | 46.8 | 62.2 | 158.7 | -67.1 | -7.7 | 0 | 0 | 0 | 120 | Q680 A681 | N678-Q680 PolarHBondContact O-N 3.34Å; N678-A681 PolarHBondContact O-N 2.94Å | ||
| 679 | K | 29.4 | Very low | 28.7 | Very low | 190 Ų | 190 | 147.2 Ų | 147.2 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -5.6 | 155.1 | -90.2 | -175.4 | 175.7 | 175.8 | 0 | 114.5 | T677 | T677-K679 PolarHBondContact O-N 3.19Š|
| 680 | Q | 29.5 | Very low | 28.9 | Very low | 170 Ų | 170 | 150.6 Ų | 150.6 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -10.3 | 179.3 | -73.4 | -180 | -28.8 | 0 | 0 | 114.9 | N678 | N678-Q680 PolarHBondContact O-N 3.34Š|
| 681 | A | 31.7 | Very low | 29.1 | Very low | 67 Ų | 67 | 150.1 Ų | 150.1 | 55% | 0.554 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -82.2 | -17.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | N678 | N678-A681 PolarHBondContact O-N 2.94Š|
| 682 | I | 33.6 | Very low | 29.1 | Very low | 115 Ų | 115 | 146.6 Ų | 146.6 | 59% | 0.59 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -88.3 | -32.4 | -169 | -66 | 173.9 | 0 | 0 | 0 | 112.4 | N684 | I682-N684 PolarHBondContact O-N 2.68Š|
| 683 | N | 29 | Very low | 29.1 | Very low | 135 Ų | 135 | 147 Ų | 147 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -4.2 | -174 | -71.8 | 1.3 | 0 | 0 | 0 | 115.3 | ||
| 684 | N | 30.1 | Very low | 29.3 | Very low | 144 Ų | 144 | 146.8 Ų | 146.8 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | 11.6 | -176.4 | -71.4 | 2.2 | 0 | 0 | 0 | 113.8 | I682 | I682-N684 PolarHBondContact O-N 2.68Š|
| 685 | R | 35.2 | Very low | 29.2 | Very low | 232 Ų | 232 | 146.4 Ų | 146.4 | 88% | 0.875 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -134.4 | 1.4 | 177.9 | -80.5 | -170.1 | 176.4 | 174.3 | 0.4 | 116 | ||
| 686 | L | 30.3 | Very low | 29.1 | Very low | 124 Ų | 124 | 144 Ų | 144 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -110.3 | 125.3 | 157.8 | -75.6 | 97.8 | 0 | 0 | 0 | 108.7 | ||
| 687 | G | 30.3 | Very low | 29 | Very low | 71 Ų | 71 | 143.7 Ų | 143.7 | 73% | 0.732 | 76% | 0.756 | S | S | * | * | trans | -65.5 | 150.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | E689 | G687-E689 VanDerWaalsContact C-N 3.3Å; G687-E689 PolarHBondContact O-N 2.79Å; G687-E689 VanDerWaalsContact O-N 3.1Å | ||
| 688 | K | 27 | Very low | 29.1 | Very low | 208 Ų | 208 | 145.7 Ų | 145.7 | 90% | 0.904 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -83.4 | 70.6 | 175.2 | -75.1 | -177.9 | 172.1 | 179.7 | 0 | 111.3 | ||
| 689 | E | 27.7 | Very low | 28.7 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -153.5 | 168.4 | 165.6 | -103.7 | 135 | -131.6 | 0 | 0 | 109.1 | G687 H691 | G687-E689 VanDerWaalsContact C-N 3.3Å; G687-E689 PolarHBondContact O-N 2.79Å; G687-E689 VanDerWaalsContact O-N 3.1Å; E689-H691 PolarHBondContact O-N 3.11Å | ||
| 690 | D | 28.7 | Very low | 28.5 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | trans | 58.3 | 43.3 | 179.2 | -64.8 | -5.6 | 0 | 0 | 0 | 117.8 | ||||
| 691 | H | 30.4 | Very low | 28.2 | Very low | 178 Ų | 178 | 143.5 Ų | 143.5 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | -112.2 | 34 | 158.4 | -86.6 | 10.9 | 0 | 0 | 0 | 113.4 | E689 | E689-H691 PolarHBondContact O-N 3.11Š| ||
| 692 | T | 27.4 | Very low | 27.9 | Very low | 106 Ų | 106 | 147.4 Ų | 147.4 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -140.9 | 151 | 162 | 49.7 | 0 | 0 | 0 | 0 | 109.4 | ||
| 693 | N | 25.8 | Very low | 27.6 | Very low | 150 Ų | 150 | 149.4 Ų | 149.4 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 80.4 | 28.6 | 169.8 | -50.8 | -28.7 | 0 | 0 | 0 | 120.4 | ||
| 694 | V | 29.9 | Very low | 27.3 | Very low | 143 Ų | 143 | 150 Ų | 150 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -118.9 | 61.8 | 157.2 | -166.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 695 | M | 25.2 | Very low | 27.1 | Very low | 188 Ų | 188 | 148.6 Ų | 148.6 | 93% | 0.926 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -135.3 | 37.9 | 177.1 | -164 | 167.5 | 168.6 | 0 | 0 | 111.6 | ||
| 696 | S | 25.3 | Very low | 26.6 | Very low | 90 Ų | 90 | 147.3 Ų | 147.3 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -156.2 | 148.7 | 172.1 | 55.8 | 0 | 0 | 0 | 0 | 111.9 | ||
| 697 | N | 24.1 | Very low | 26.5 | Very low | 148 Ų | 148 | 151.1 Ų | 151.1 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | 58.7 | 68.7 | 159.7 | -58.7 | -17.1 | 0 | 0 | 0 | 119.3 | ||||
| 698 | I | 29.1 | Very low | 26.4 | Very low | 162 Ų | 162 | 151.7 Ų | 151.7 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | trans | -120.4 | 66.3 | 143.6 | -50.2 | -177.3 | 0 | 0 | 0 | 109.7 | G700 | I698-G700 PolarHBondContact O-N 3.21Š| ||
| 699 | N | 23.6 | Very low | 26.4 | Very low | 170 Ų | 170 | 149.6 Ų | 149.6 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -86.8 | 91 | 162 | -90.7 | -20.1 | 0 | 0 | 0 | 108.2 | ||||
| 700 | G | 23.9 | Very low | 26.5 | Very low | 60 Ų | 60 | 148.9 Ų | 148.9 | 62% | 0.619 | 80% | 0.799 | S | S | * | * | trans | -153.8 | 81.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I698 | I698-G700 PolarHBondContact O-N 3.21Š| ||
| 701 | K | 23.2 | Very low | 26.9 | Very low | 203 Ų | 203 | 149.7 Ų | 149.7 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | 50.5 | 81.2 | 171.7 | -66.3 | -178.6 | 176.6 | 178.3 | 0 | 115.2 | ||||
| 702 | L | 25.9 | Very low | 27.6 | Very low | 149 Ų | 149 | 147.4 Ų | 147.4 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | trans | -53.9 | 139.6 | 146.7 | -100.1 | 70.4 | 0 | 0 | 0 | 108.9 | ||||
| 703 | L | 27.8 | Very low | 28.6 | Very low | 158 Ų | 158 | 145.7 Ų | 145.7 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -68.9 | 149.9 | 155.8 | -93.5 | 70.3 | 0 | 0 | 0 | 108.4 | T705 | L703-T705 PolarHBondContact O-N 2.95Š| ||
| 704 | N | 23.5 | Very low | 30.1 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -60.7 | 106.4 | -179 | -71 | -14.6 | 0 | 0 | 0 | 111.4 | Y706 | N704-Y706 PolarHBondContact O-N 2.96Å; N704-Y706 VanDerWaalsContact O-N 3.08Å | ||
| 705 | T | 25.6 | Very low | 31.7 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | trans | -80.8 | 72.3 | 163.6 | 51.7 | 0 | 0 | 0 | 0 | 109.5 | L703 | L703-T705 PolarHBondContact O-N 2.95Š| ||
| 706 | Y | 24.8 | Very low | 33.7 | Very low | 205 Ų | 205 | 133.3 Ų | 133.3 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | trans | -127.6 | 145.1 | 161.2 | -75.6 | -85.6 | 0 | 0 | 0 | 106.6 | N704 | N704-Y706 PolarHBondContact O-N 2.96Å; N704-Y706 VanDerWaalsContact O-N 3.08Å | ||
| 707 | E | 26.8 | Very low | 36 | Very low | 203 Ų | 203 | 132.4 Ų | 132.4 | 95% | 0.949 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 69.3 | 43.9 | -165.9 | -55 | -175.7 | -169.8 | 0 | 0 | 115.1 | ||
| 708 | A | 29.1 | Very low | 38.6 | Very low | 84 Ų | 84 | 126.4 Ų | 126.4 | 69% | 0.694 | 68% | 0.678 | S | S | * | * | trans | -116.6 | 119.2 | 147.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 709 | N | 27.7 | Very low | 41.2 | Very low | 164 Ų | 164 | 122.4 Ų | 122.4 | 88% | 0.877 | 66% | 0.664 | S | S | * | * | trans | -72.4 | 136.5 | 172 | -75.4 | -4.6 | 0 | 0 | 0 | 109.6 | D711 | N709-D711 PolarHBondContact O-N 2.04Å; N709-D711 VanDerWaalsContact O-N 3.17Å | ||
| 710 | D | 29.3 | Very low | 44.2 | Very low | 158 Ų | 158 | 114.5 Ų | 114.5 | 85% | 0.845 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -64 | 108.3 | 168.7 | -61.3 | -66.7 | 0 | 0 | 0 | 110.2 | ||
| 711 | D | 37.1 | Very low | 47.2 | Very low | 162 Ų | 162 | 113.3 Ų | 113.3 | 87% | 0.866 | 60% | 0.6 | S | S | * | * | trans | 177.7 | 47.4 | 150.8 | -101.1 | -19.6 | 0 | 0 | 0 | 112.3 | N709 | N709-D711 PolarHBondContact O-N 2.04Å; N709-D711 VanDerWaalsContact O-N 3.17Å | ||
| 712 | K | 44.2 | Very low | 50.2 | Low | 130 Ų | 130 | 103.7 Ų | 103.7 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | trans | -137 | 103.7 | 171.2 | -69.8 | -164.7 | 173.4 | -166.9 | 0 | 112.4 | Y714 | K712-Y714 HydrophobicContact CB-CE1 3.91Å; K712-Y714 HydrophobicContact CB-CE2 3.9Å; K712-Y714 HydrophobicContact CD-CE1 4.28Å; K712-Y714 WeakPolarHBondContact CD-OH 3.36Å | ||
| 713 | S | 48.7 | Very low | 52.9 | Low | 70 Ų | 70 | 97.2 Ų | 97.2 | 49% | 0.49 | 53% | 0.526 | S | S | . | . | trans | -66.2 | 132.3 | 168.7 | 70.4 | 0 | 0 | 0 | 0 | 110.1 | N661 | N661-S713 WeakPolarHBondContact CB-O 3.48Å; N661-S713 PolarHBondContact ND2-OG 3.04Å | ||
| 714 | Y | 57.8 | Low | 55.3 | Low | 125 Ų | 125 | 89.9 Ų | 89.9 | 49% | 0.49 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 134.4 | 178 | -62.6 | -47.8 | 0 | 0 | 0 | 109.3 | L660 K712 | L660-Y714 HydrophobicContact CB-CD1 4.45Å; L660-Y714 HydrophobicContact CB-CE1 4.35Å; L660-Y714 HydrophobicContact CD2-CD1 3.69Å; L660-Y714 HydrophobicContact CD2-CE1 3.58Å; L660-Y714 HydrophobicContact CD2-CG 4.41Å; K712-Y714 HydrophobicContact CB-CE1 3.91Å; K712-Y714 HydrophobicContact CB-CE2 3.9Å; K712-Y714 HydrophobicContact CD-CE1 4.28Å; K712-Y714 WeakPolarHBondContact CD-OH 3.36Å |
| 715 | Q | 63.8 | Low | 57.7 | Low | 53 Ų | 53 | 84.4 Ų | 84.4 | 25% | 0.248 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 109.1 | 178 | -172.4 | -179.7 | 32.1 | 0 | 0 | 109.4 | I659 S747 | I659-Q715 HydrophobicContact CB-CB 4.19Å; I659-Q715 PolarHBondContact N-O 2.95Å; I659-Q715 PolarHBondContact O-N 2.77Å; Q715-S747 PolarHBondContact NE2-O 3.42Å; Q715-S747 PolarHBondContact NE2-OG 3.21Å |
| 716 | G | 67.8 | Low | 60.1 | Low | 44 Ų | 44 | 79.7 Ų | 79.7 | 45% | 0.454 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 145 | -169.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 717 | P | 72.3 | Confident | 62.1 | Low | 71 Ų | 71 | 73.5 Ų | 73.5 | 46% | 0.461 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -75.9 | 144.9 | -2.4 | 29.5 | -33.5 | 0 | 0 | 0 | 112.9 | K656 L657 F658 | K656-P717 HydrophobicContact CB-CB 4.01Å; K656-P717 HydrophobicContact CD-CB 3.89Å; K656-P717 HydrophobicContact CD-CG 4.28Å; K656-P717 HydrophobicContact CG-CB 4.15Å; L657-P717 WeakPolarHBondContact O-CA 3.42Å; F658-P717 HydrophobicContact CD1-CB 4.21Å; F658-P717 HydrophobicContact CE1-CB 3.72Å; F658-P717 HydrophobicContact CE1-CG 4.17Å; F658-P717 HydrophobicContact CE2-CB 4.31Å; F658-P717 HydrophobicContact CZ-CB 3.79Å; F658-P717 HydrophobicContact CZ-CG 4.41Å |
| 718 | C | 78.8 | Confident | 64.1 | Low | 22 Ų | 22 | 70.8 Ų | 70.8 | 15% | 0.149 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 156.1 | 167.4 | 43.9 | 0 | 0 | 0 | 0 | 111.6 | K656 L657 C745 | K656-C718 WeakPolarHBondContact CA-O 3.25Å; L657-C718 PolarHBondContact N-O 3.08Å; L657-C718 PolarHBondContact O-N 3.13Å; L657-C718 VanDerWaalsContact O-N 3.09Å; C718-C745 HydrophobicContact CB-CB 3.46Å; C718-C745 VanDerWaalsContact CB-CB 3.46Å; C718-C745 WeakPolarHBondContact CB-SG 3.45Å; C718-C745 WeakPolarHBondContact SG-CB 3.31Å; C718-C745 CovalentContact SG-SG 2.03Å; C718-C745 PolarHBondContact SG-SG 3.21Å |
| 719 | S | 84.2 | Confident | 65.9 | Low | 77 Ų | 77 | 70.6 Ų | 70.6 | 54% | 0.538 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 137.1 | 179.3 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | G655 Y744 | G655-S719 WeakPolarHBondContact O-CA 3.38Å; S719-Y744 PolarHBondContact O-N 3.1Å |
| 720 | V | 86.7 | Confident | 67.3 | Low | 4 Ų | 4 | 64.3 Ų | 64.3 | 2% | 0.024 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 147 | 178 | 67.4 | 0 | 0 | 0 | 0 | 111.2 | T654 G655 L657 I741 R742 H743 L849 L851 | T654-V720 WeakPolarHBondContact CA-O 3.09Å; G655-V720 PolarHBondContact N-O 3.28Å; G655-V720 PolarHBondContact O-N 3.32Å; L657-V720 HydrophobicContact CB-CB 3.81Å; L657-V720 HydrophobicContact CB-CG1 3.78Å; L657-V720 HydrophobicContact CB-CG2 4.33Å; V720-I741 HydrophobicContact CG2-CG2 4.19Å; V720-R742 CarbonylContact C-O 3.32Å; V720-R742 WeakPolarHBondContact CA-O 3.3Å; V720-H743 HydrophobicContact CG2-CB 4.43Å; V720-L849 HydrophobicContact CG1-CD2 4.08Å; V720-L849 HydrophobicContact CG1-CG 4.36Å; V720-L849 HydrophobicContact CG2-CD2 4.03Å; V720-L851 HydrophobicContact CG1-CD2 3.65Å |
| 721 | E | 85.5 | Confident | 68.4 | Low | 35 Ų | 35 | 65.2 Ų | 65.2 | 16% | 0.164 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 140.6 | 174.3 | 172.7 | 176.9 | 174.6 | 0 | 0 | 110.1 | R652 L653 T654 R742 | R652-E721 HydrophobicContact CG-CG 4.34Å; R652-E721 IonicContact CZ-OE1 3.43Å; R652-E721 IonicContact CZ-OE2 3.63Å; R652-E721 IonicContact NE-OE1 3.38Å; R652-E721 PolarHBondContact NE-OE1 3.38Å; R652-E721 IonicContact NE-OE2 2.77Å; R652-E721 PolarHBondContact NE-OE2 3.3Å; R652-E721 VanDerWaalsContact NH2-CD 3.3Å; R652-E721 IonicContact NH2-OE1 2.79Å; R652-E721 PolarHBondContact NH2-OE1 2.88Å; R652-E721 IonicContact NH2-OE2 3.66Å; R652-E721 PolarHBondContact NH2-OE2 3.42Å; L653-E721 CarbonylContact O-C 3.6Å; L653-E721 WeakPolarHBondContact O-CA 3.39Å; T654-E721 HydrophobicContact CG2-CB 4.44Å; T654-E721 HydrophobicContact CG2-CG 4.4Å; E721-R742 HydrophobicContact CB-CB 4.33Å; E721-R742 PolarHBondContact N-O 2.78Å; E721-R742 PolarHBondContact O-N 3.07Å |
| 722 | I | 87.2 | Confident | 69.1 | Low | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 136.3 | 172.3 | -82.1 | -174.9 | 0 | 0 | 0 | 110.1 | L648 L653 L739 R740 I741 I820 L849 L851 | L648-I722 HydrophobicContact CD1-CG2 4.23Å; L653-I722 HydrophobicContact CB-CB 4.34Å; L653-I722 HydrophobicContact CD1-CG2 4.44Å; L653-I722 PolarHBondContact N-O 2.76Å; L653-I722 PolarHBondContact O-N 3.27Å; I722-L739 HydrophobicContact CG2-CD1 3.75Å; I722-R740 WeakPolarHBondContact CA-O 3.18Å; I722-I741 HydrophobicContact CD1-CD1 4.47Å; I722-I741 HydrophobicContact CD1-CG1 4.26Å; I722-I741 HydrophobicContact CD1-CG2 4.45Å; I722-I741 HydrophobicContact CG1-CB 4.44Å; I722-I741 HydrophobicContact CG1-CG1 4.15Å; I722-I741 HydrophobicContact CG1-CG2 4.14Å; I722-I820 HydrophobicContact CD1-CD1 4.15Å; I722-L849 HydrophobicContact CD1-CD2 3.54Å; I722-L849 HydrophobicContact CG1-CD2 4.33Å; I722-L851 HydrophobicContact CB-CD1 4.41Å; I722-L851 HydrophobicContact CD1-CD1 4.31Å |
| 723 | S | 82.2 | Confident | 69.3 | Low | 14 Ų | 14 | 56 Ų | 56 | 10% | 0.098 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 154.6 | 168.8 | -159.9 | 0 | 0 | 0 | 0 | 112.5 | F725 R740 | S723-F725 WeakPolarHBondContact OG-CB 3.34Å; S723-F725 PolarHBondContact OG-N 3.35Å; S723-R740 PolarHBondContact N-O 2.92Å; S723-R740 PolarHBondContact O-N 3.3Å |
| 724 | D | 79.2 | Confident | 69.6 | Low | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.016 | 34% | 0.338 | C | S | . | . | trans | -96.7 | 1.6 | 167.8 | 67.3 | -4.4 | 0 | 0 | 0 | 113.2 | C646 L648 Y649 Q650 | C646-D724 HydrophobicContact CB-CB 4.01Å; L648-D724 HydrophobicContact CB-CB 4.39Å; L648-D724 PolarHBondContact N-OD2 2.74Å; Y649-D724 PolarHBondContact N-OD2 2.96Å; Q650-D724 PolarHBondContact N-OD1 3.23Å | ||
| 725 | F | 73.9 | Confident | 70 | Confident | 34 Ų | 34 | 55.9 Ų | 55.9 | 15% | 0.149 | 33% | 0.328 | C | S | . | . | trans | -78.4 | 122.4 | -178.1 | -175.5 | -89.6 | 0 | 0 | 0 | 111.6 | S723 P727 | S723-F725 WeakPolarHBondContact OG-CB 3.34Å; S723-F725 PolarHBondContact OG-N 3.35Å; F725-P727 HydrophobicContact CD1-CB 4.36Å; F725-P727 HydrophobicContact CE1-CB 3.97Å | ||
| 726 | N | 74.3 | Confident | 70.3 | Confident | 14 Ų | 14 | 55.6 Ų | 55.6 | 8% | 0.075 | 33% | 0.329 | C | S | . | . | trans | -91.6 | 115.1 | 166.6 | -172 | -25.8 | 0 | 0 | 0 | 110 | D728 L729 D736 R740 | N726-D728 VanDerWaalsContact C-N 3.34Å; N726-D728 WeakPolarHBondContact OD1-CA 3.46Å; N726-D728 WeakPolarHBondContact OD1-CB 3.46Å; N726-D728 PolarHBondContact OD1-N 3.29Å; N726-L729 HydrophobicContact CB-CB 4.45Å; N726-L729 HydrophobicContact CB-CD1 4.08Å; N726-L729 HydrophobicContact CB-CG 4.21Å; N726-L729 PolarHBondContact OD1-N 3.01Å; N726-D736 PolarHBondContact ND2-OD2 2.78Å; N726-R740 PolarHBondContact ND2-NH2 2.92Å | ||
| 727 | P | 67.5 | Low | 70.7 | Confident | 76 Ų | 76 | 54.7 Ų | 54.7 | 49% | 0.494 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -74.2 | -22.4 | 178 | 31.9 | -35.7 | 0 | 0 | 0 | 113.9 | F725 L729 G730 | F725-P727 HydrophobicContact CD1-CB 4.36Å; F725-P727 HydrophobicContact CE1-CB 3.97Å; P727-L729 VanDerWaalsContact C-N 3.34Å; P727-G730 PolarHBondContact O-N 3.07Å |
| 728 | D | 69.3 | Low | 71.1 | Confident | 145 Ų | 145 | 52.4 Ų | 52.4 | 78% | 0.775 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -15.4 | -174.1 | -53.3 | -42.1 | 0 | 0 | 0 | 111.9 | N726 G730 | N726-D728 VanDerWaalsContact C-N 3.34Å; N726-D728 WeakPolarHBondContact OD1-CA 3.46Å; N726-D728 WeakPolarHBondContact OD1-CB 3.46Å; N726-D728 PolarHBondContact OD1-N 3.29Å; D728-G730 VanDerWaalsContact C-N 3.3Å |
| 729 | L | 66.2 | Low | 71.4 | Confident | 81 Ų | 81 | 51.4 Ų | 51.4 | 42% | 0.424 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 11 | 170.3 | -61.1 | 178.1 | 0 | 0 | 0 | 113.6 | N726 P727 E734 D736 | N726-L729 HydrophobicContact CB-CB 4.45Å; N726-L729 HydrophobicContact CB-CD1 4.08Å; N726-L729 HydrophobicContact CB-CG 4.21Å; N726-L729 PolarHBondContact OD1-N 3.01Å; P727-L729 VanDerWaalsContact C-N 3.34Å; L729-E734 HydrophobicContact CB-CB 4.02Å; L729-E734 HydrophobicContact CD1-CB 4.15Å; L729-D736 HydrophobicContact CD1-CB 3.99Å |
| 730 | G | 57 | Low | 71.5 | Confident | 31 Ų | 31 | 49.2 Ų | 49.2 | 32% | 0.32 | 27% | 0.271 | S | S | . | . | trans | 105 | 175.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | P727 D728 S732 G733 | P727-G730 PolarHBondContact O-N 3.07Å; D728-G730 VanDerWaalsContact C-N 3.3Å; G730-S732 VanDerWaalsContact C-N 3.31Å; G730-S732 PolarHBondContact O-N 3.19Å; G730-G733 PolarHBondContact O-N 3.3Å | ||
| 731 | I | 53 | Low | 71.4 | Confident | 177 Ų | 177 | 49 Ų | 49 | 91% | 0.908 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -26.7 | -162.5 | -1.5 | 175.3 | 0 | 0 | 0 | 114.7 | ||
| 732 | S | 51.6 | Low | 71.4 | Confident | 93 Ų | 93 | 51.1 Ų | 51.1 | 65% | 0.65 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -19.2 | 174.3 | 42.3 | 0 | 0 | 0 | 0 | 113.7 | G730 | G730-S732 VanDerWaalsContact C-N 3.31Å; G730-S732 PolarHBondContact O-N 3.19Å |
| 733 | G | 48.8 | Very low | 71.1 | Confident | 6 Ų | 6 | 52 Ų | 52 | 6% | 0.062 | 28% | 0.28 | C | S | . | . | trans | 68.8 | 98 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G730 | G730-G733 PolarHBondContact O-N 3.3Š| ||
| 734 | E | 55.4 | Low | 70.8 | Confident | 129 Ų | 129 | 58.4 Ų | 58.4 | 60% | 0.603 | 30% | 0.304 | S | S | * | . | trans | -80.3 | 141.1 | 160.4 | -59.8 | -162.6 | 144.8 | 0 | 0 | 109.6 | L729 | L729-E734 HydrophobicContact CB-CB 4.02Å; L729-E734 HydrophobicContact CD1-CB 4.15Å | ||
| 735 | F | 64.7 | Low | 70.3 | Confident | 64 Ų | 64 | 59.4 Ų | 59.4 | 28% | 0.281 | 31% | 0.31 | S | S | . | . | trans | -95.2 | 113.4 | -176 | -50.5 | -91.7 | 0 | 0 | 0 | 109.6 | Y649 Q650 N737 | Y649-F735 HydrophobicContact CD1-CE1 4.27Å; Y649-F735 HydrophobicContact CD1-CZ 4.23Å; Q650-F735 HydrophobicContact CG-CE1 3.82Å; Q650-F735 HydrophobicContact CG-CZ 3.48Å; Q650-F735 VanDerWaalsContact CG-CZ 3.48Å; F735-N737 PolarHBondContact O-N 2.82Å | ||
| 736 | D | 71.1 | Confident | 69.7 | Low | 47 Ų | 47 | 67.8 Ų | 67.8 | 25% | 0.251 | 35% | 0.35 | S | S | . | . | trans | -92.4 | 24.9 | 178.1 | 63.5 | -9.6 | 0 | 0 | 0 | 113 | N726 L729 T738 R740 | N726-D736 PolarHBondContact ND2-OD2 2.78Å; L729-D736 HydrophobicContact CD1-CB 3.99Å; D736-T738 PolarHBondContact O-N 3.06Å; D736-T738 VanDerWaalsContact O-N 3.08Å; D736-T738 PolarHBondContact O-OG1 3.04Å; D736-T738 WeakPolarHBondContact OD1-CB 3.24Å; D736-R740 IonicContact OD1-CZ 3.14Å; D736-R740 IonicContact OD1-NH1 3.9Å; D736-R740 PolarHBondContact OD1-NH1 3.4Å; D736-R740 IonicContact OD1-NH2 2.73Å; D736-R740 PolarHBondContact OD1-NH2 2.82Å; D736-R740 IonicContact OD2-CZ 2.7Å; D736-R740 IonicContact OD2-NH1 3.62Å; D736-R740 IonicContact OD2-NH2 2.71Å; D736-R740 PolarHBondContact OD2-NH2 2.95Å | ||
| 737 | N | 75.3 | Confident | 68.8 | Low | 24 Ų | 24 | 71 Ų | 71 | 13% | 0.128 | 37% | 0.373 | C | S | . | . | S | Bend | trans | 54.9 | 31 | 175.1 | -45.6 | -74.1 | 0 | 0 | 0 | 113 | V643 K645 F735 C760 | V643-N737 HydrophobicContact CG1-CB 3.82Å; V643-N737 VanDerWaalsContact CG1-CG 3.5Å; V643-N737 VanDerWaalsContact CG1-ND2 3.32Å; V643-N737 WeakPolarHBondContact CG1-ND2 3.45Å; K645-N737 WeakPolarHBondContact CA-OD1 3.44Å; K645-N737 WeakPolarHBondContact CG-OD1 3.45Å; F735-N737 PolarHBondContact O-N 2.82Å; N737-C760 WeakPolarHBondContact O-CB 3.46Å; N737-C760 PolarHBondContact O-N 2.96Å |
| 738 | T | 81.1 | Confident | 68.1 | Low | 23 Ų | 23 | 68.4 Ų | 68.4 | 14% | 0.141 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 110.5 | -174.2 | -61.5 | 0 | 0 | 0 | 0 | 109.9 | D736 R740 D757 H758 | D736-T738 PolarHBondContact O-N 3.06Å; D736-T738 VanDerWaalsContact O-N 3.08Å; D736-T738 PolarHBondContact O-OG1 3.04Å; D736-T738 WeakPolarHBondContact OD1-CB 3.24Å; T738-R740 HydrophobicContact CG2-CG 4.45Å; T738-R740 PolarHBondContact O-N 2.91Å; T738-R740 PolarHBondContact O-NH1 2.94Å; T738-D757 HydrophobicContact CG2-CB 3.59Å; T738-H758 CarbonylContact C-O 3.52Å; T738-H758 WeakPolarHBondContact CA-O 3.27Å |
| 739 | L | 85.9 | Confident | 67.5 | Low | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 118.6 | 172.4 | -177.1 | 73.2 | 0 | 0 | 0 | 109.3 | L648 I722 I741 H758 L779 T781 L792 | L648-L739 HydrophobicContact CD1-CD1 3.55Å; I722-L739 HydrophobicContact CG2-CD1 3.75Å; L739-I741 HydrophobicContact CD2-CD1 4.33Å; L739-I741 HydrophobicContact CD2-CG1 4.35Å; L739-I741 HydrophobicContact CG-CG1 4.38Å; L739-H758 HydrophobicContact CB-CB 4.08Å; L739-H758 PolarHBondContact N-O 3.07Å; L739-H758 WeakPolarHBondContact O-CB 3.43Å; L739-H758 PolarHBondContact O-N 3.42Å; L739-L779 HydrophobicContact CD2-CD2 3.97Å; L739-T781 HydrophobicContact CB-CG2 4.4Å; L739-T781 HydrophobicContact CD2-CG2 4.06Å; L739-L792 HydrophobicContact CD2-CD2 3.9Å |
| 740 | R | 85.4 | Confident | 67.2 | Low | 32 Ų | 32 | 60.5 Ų | 60.5 | 12% | 0.121 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 117.3 | 179.7 | -69.3 | 171.7 | 171.6 | 89.9 | 5.3 | 109.2 | I722 S723 N726 D736 T738 D757 | I722-R740 WeakPolarHBondContact CA-O 3.18Å; S723-R740 PolarHBondContact N-O 2.92Å; S723-R740 PolarHBondContact O-N 3.3Å; N726-R740 PolarHBondContact ND2-NH2 2.92Å; D736-R740 IonicContact OD1-CZ 3.14Å; D736-R740 IonicContact OD1-NH1 3.9Å; D736-R740 PolarHBondContact OD1-NH1 3.4Å; D736-R740 IonicContact OD1-NH2 2.73Å; D736-R740 PolarHBondContact OD1-NH2 2.82Å; D736-R740 IonicContact OD2-CZ 2.7Å; D736-R740 IonicContact OD2-NH1 3.62Å; D736-R740 IonicContact OD2-NH2 2.71Å; D736-R740 PolarHBondContact OD2-NH2 2.95Å; T738-R740 HydrophobicContact CG2-CG 4.45Å; T738-R740 PolarHBondContact O-N 2.91Å; T738-R740 PolarHBondContact O-NH1 2.94Å; R740-D757 WeakPolarHBondContact CG-OD2 3.45Å; R740-D757 IonicContact CZ-OD2 3.65Å; R740-D757 IonicContact NE-OD2 2.75Å; R740-D757 PolarHBondContact NE-OD2 2.86Å; R740-D757 IonicContact NH2-OD2 2.71Å |
| 741 | I | 85.5 | Confident | 67.3 | Low | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 130.9 | 173.1 | -45.9 | -175.6 | 0 | 0 | 0 | 107.7 | V720 I722 L739 F754 S756 M822 | V720-I741 HydrophobicContact CG2-CG2 4.19Å; I722-I741 HydrophobicContact CD1-CD1 4.47Å; I722-I741 HydrophobicContact CD1-CG1 4.26Å; I722-I741 HydrophobicContact CD1-CG2 4.45Å; I722-I741 HydrophobicContact CG1-CB 4.44Å; I722-I741 HydrophobicContact CG1-CG1 4.15Å; I722-I741 HydrophobicContact CG1-CG2 4.14Å; L739-I741 HydrophobicContact CD2-CD1 4.33Å; L739-I741 HydrophobicContact CD2-CG1 4.35Å; L739-I741 HydrophobicContact CG-CG1 4.38Å; I741-F754 CarbonylContact C-O 3.59Å; I741-F754 VanDerWaalsContact C-O 3.32Å; I741-F754 HydrophobicContact CG2-CD1 4.13Å; I741-S756 PolarHBondContact N-O 2.9Å; I741-S756 PolarHBondContact O-N 3.41Å; I741-M822 HydrophobicContact CD1-CE 3.87Å; I741-M822 HydrophobicContact CD1-SD 4.45Å |
| 742 | R | 85 | Confident | 67.8 | Low | 78 Ų | 78 | 56.3 Ų | 56.3 | 29% | 0.294 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 103.2 | -179.8 | -59.6 | -65.6 | -176.9 | -112.7 | 2.9 | 109.9 | V720 E721 F754 S756 D757 | V720-R742 CarbonylContact C-O 3.32Å; V720-R742 WeakPolarHBondContact CA-O 3.3Å; E721-R742 HydrophobicContact CB-CB 4.33Å; E721-R742 PolarHBondContact N-O 2.78Å; E721-R742 PolarHBondContact O-N 3.07Å; R742-F754 CarbonylContact C-O 3.47Å; R742-F754 WeakPolarHBondContact CA-O 3.45Å; R742-F754 PolarHBondContact N-O 3.18Å; R742-S756 PolarHBondContact NH1-O 3.33Å; R742-D757 IonicContact CZ-OD1 2.73Å; R742-D757 IonicContact NH1-OD1 2.64Å; R742-D757 PolarHBondContact NH1-OD1 3.46Å; R742-D757 IonicContact NH2-OD1 3.52Å; R742-D757 PolarHBondContact NH2-OD1 2.97Å; R742-D757 IonicContact NH2-OD2 3.3Å |
| 743 | H | 81.4 | Confident | 68.6 | Low | 20 Ų | 20 | 52.1 Ų | 52.1 | 9% | 0.093 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 159.1 | 171.6 | 77.5 | 131.5 | 0 | 0 | 0 | 113.1 | L657 V720 C745 T748 F754 | L657-H743 HydrophobicContact CD2-CB 4.11Å; V720-H743 HydrophobicContact CG2-CB 4.43Å; H743-C745 PolarHBondContact ND1-SG 3.36Å; H743-T748 VanDerWaalsContact CE1-CG2 3.43Å; H743-T748 WeakPolarHBondContact CE1-CG2 3.07Å; H743-T748 PolarHBondContact CE1-OG1 2.9Å; H743-T748 VanDerWaalsContact ND1-CG2 3.34Å; H743-T748 WeakPolarHBondContact ND1-CG2 3.23Å; H743-F754 HydrophobicContact CB-CB 3.89Å; H743-F754 PolarHBondContact CD2-O 3.09Å; H743-F754 PolarHBondContact N-O 3.31Å |
| 744 | Y | 76.1 | Confident | 69.4 | Low | 149 Ų | 149 | 51.8 Ų | 51.8 | 58% | 0.584 | 26% | 0.259 | S | S | * | . | trans | -127.1 | 36.2 | 178.4 | -56.2 | -89.9 | 0 | 0 | 0 | 111.9 | S719 | S719-Y744 PolarHBondContact O-N 3.1Š| ||
| 745 | C | 67.8 | Low | 70.3 | Confident | 23 Ų | 23 | 52.8 Ų | 52.8 | 16% | 0.155 | 26% | 0.262 | C | S | . | . | trans | -89.3 | 129.9 | 178.3 | -23.2 | 0 | 0 | 0 | 0 | 109.8 | C718 H743 S747 T748 | C718-C745 HydrophobicContact CB-CB 3.46Å; C718-C745 VanDerWaalsContact CB-CB 3.46Å; C718-C745 WeakPolarHBondContact CB-SG 3.45Å; C718-C745 WeakPolarHBondContact SG-CB 3.31Å; C718-C745 CovalentContact SG-SG 2.03Å; C718-C745 PolarHBondContact SG-SG 3.21Å; H743-C745 PolarHBondContact ND1-SG 3.36Å; C745-S747 VanDerWaalsContact C-N 3.26Å; C745-S747 PolarHBondContact O-N 2.94Å; C745-T748 HydrophobicContact CB-CG2 3.67Å | ||
| 746 | E | 62.1 | Low | 70.8 | Confident | 210 Ų | 210 | 49.8 Ų | 49.8 | 98% | 0.981 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -67.3 | -26.2 | -177.2 | -61.4 | -174.7 | 135.3 | 0 | 0 | 113.6 | ||
| 747 | S | 53.7 | Low | 71.3 | Confident | 81 Ų | 81 | 50.6 Ų | 50.6 | 57% | 0.566 | 25% | 0.253 | S | S | * | . | trans | -131.7 | 142 | 164.8 | 59.2 | 0 | 0 | 0 | 0 | 110.2 | Q715 C745 | Q715-S747 PolarHBondContact NE2-O 3.42Å; Q715-S747 PolarHBondContact NE2-OG 3.21Å; C745-S747 VanDerWaalsContact C-N 3.26Å; C745-S747 PolarHBondContact O-N 2.94Å | ||
| 748 | T | 54.5 | Low | 71.8 | Confident | 23 Ų | 23 | 49.5 Ų | 49.5 | 14% | 0.141 | 25% | 0.247 | C | C | . | . | trans | -147.3 | 145.7 | 165.9 | 53.2 | 0 | 0 | 0 | 0 | 108.8 | I659 H743 C745 Y750 P751 | I659-T748 HydrophobicContact CD1-CG2 3.73Å; H743-T748 VanDerWaalsContact CE1-CG2 3.43Å; H743-T748 WeakPolarHBondContact CE1-CG2 3.07Å; H743-T748 PolarHBondContact CE1-OG1 2.9Å; H743-T748 VanDerWaalsContact ND1-CG2 3.34Å; H743-T748 WeakPolarHBondContact ND1-CG2 3.23Å; C745-T748 HydrophobicContact CB-CG2 3.67Å; T748-Y750 PolarHBondContact O-N 3Å; T748-P751 WeakPolarHBondContact O-CD 3.45Å; T748-P751 WeakPolarHBondContact OG1-CA 3.32Å | ||
| 749 | I | 55.4 | Low | 72 | Confident | 36 Ų | 36 | 53.1 Ų | 53.1 | 19% | 0.185 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -65.6 | -19.8 | 168.3 | -61.4 | 169.8 | 0 | 0 | 0 | 111.5 | N661 F667 | N661-I749 VanDerWaalsContact OD1-CD1 3.29Å; N661-I749 WeakPolarHBondContact OD1-CD1 3.37Å; F667-I749 HydrophobicContact CE2-CB 4.3Å; F667-I749 HydrophobicContact CE2-CG1 4.27Å; F667-I749 HydrophobicContact CE2-CG2 3.96Å; F667-I749 HydrophobicContact CZ-CB 4.45Å; F667-I749 HydrophobicContact CZ-CG2 3.9Å; F667-I749 WeakPolarHBondContact CZ-O 3.27Å |
| 750 | Y | 60.7 | Low | 71.9 | Confident | 24 Ų | 24 | 53.2 Ų | 53.2 | 9% | 0.094 | 26% | 0.263 | C | S | . | . | trans | -129.8 | 55.1 | -172 | -59.7 | -70.3 | 0 | 0 | 0 | 114.6 | T748 S752 I753 F754 H824 F846 | T748-Y750 PolarHBondContact O-N 3Å; Y750-S752 PolarHBondContact O-N 2.74Å; Y750-I753 HydrophobicContact CD1-CD1 3.64Å; Y750-I753 HydrophobicContact CD1-CG1 4.49Å; Y750-I753 HydrophobicContact CE1-CD1 4.43Å; Y750-I753 HydrophobicContact CG-CD1 4.05Å; Y750-I753 PolarHBondContact O-N 3.3Å; Y750-I753 VanDerWaalsContact O-N 3.09Å; Y750-F754 WeakPolarHBondContact O-CD2 3.35Å; Y750-F754 PolarHBondContact O-N 2.88Å; Y750-H824 AromaticContact CE1-CE1 3.9Å; Y750-H824 AromaticContact CZ-NE2 3.94Å; Y750-F846 HydrophobicContact CD2-CD2 4.5Å | ||
| 751 | P | 59.2 | Low | 71.7 | Confident | 70 Ų | 70 | 52.7 Ų | 52.7 | 46% | 0.455 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.7 | -26.5 | -176.5 | 29.8 | -34.5 | 0 | 0 | 0 | 112.3 | T748 I753 K755 | T748-P751 WeakPolarHBondContact O-CD 3.45Å; T748-P751 WeakPolarHBondContact OG1-CA 3.32Å; P751-I753 VanDerWaalsContact C-N 3.31Å; P751-I753 PolarHBondContact O-N 3.48Å; P751-K755 VanDerWaalsContact O-CB 3.3Å; P751-K755 WeakPolarHBondContact O-CB 3.48Å; P751-K755 PolarHBondContact O-N 3.15Å |
| 752 | S | 63.4 | Low | 71.3 | Confident | 50 Ų | 50 | 52.7 Ų | 52.7 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -71.6 | -17.2 | 175.4 | 48.8 | 0 | 0 | 0 | 0 | 114.5 | Y750 S756 L783 | Y750-S752 PolarHBondContact O-N 2.74Å; S752-S756 VanDerWaalsContact O-CB 3.26Å; S752-S756 WeakPolarHBondContact O-CB 3.34Å; S752-S756 PolarHBondContact O-OG 3.32Å; S752-S756 VanDerWaalsContact O-OG 3.09Å; S752-L783 WeakPolarHBondContact O-CD2 3.41Å |
| 753 | I | 67.3 | Low | 71.1 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -103.1 | -28.6 | -177.5 | -51.5 | -178.3 | 0 | 0 | 0 | 111.9 | Y750 P751 S756 H758 L783 Y790 F846 | Y750-I753 HydrophobicContact CD1-CD1 3.64Å; Y750-I753 HydrophobicContact CD1-CG1 4.49Å; Y750-I753 HydrophobicContact CE1-CD1 4.43Å; Y750-I753 HydrophobicContact CG-CD1 4.05Å; Y750-I753 PolarHBondContact O-N 3.3Å; Y750-I753 VanDerWaalsContact O-N 3.09Å; P751-I753 VanDerWaalsContact C-N 3.31Å; P751-I753 PolarHBondContact O-N 3.48Å; I753-S756 WeakPolarHBondContact CA-OG 3.47Å; I753-S756 PolarHBondContact O-OG 2.9Å; I753-H758 WeakPolarHBondContact CG2-NE2 3.34Å; I753-L783 HydrophobicContact CB-CD2 4.38Å; I753-L783 HydrophobicContact CG1-CD2 4.13Å; I753-L783 HydrophobicContact CG2-CD2 4.47Å; I753-Y790 HydrophobicContact CD1-CE1 3.99Å; I753-Y790 HydrophobicContact CG2-CE1 4.24Å; I753-F846 HydrophobicContact CG2-CE2 4.28Å; I753-F846 HydrophobicContact CG2-CZ 4.14Å |
| 754 | F | 67.1 | Low | 70.8 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -103 | -1 | -176.6 | -65.6 | -68 | 0 | 0 | 0 | 114.6 | L657 I659 I741 R742 H743 Y750 M822 F846 A847 | L657-F754 HydrophobicContact CD1-CD1 4.21Å; L657-F754 HydrophobicContact CD1-CE1 3.74Å; L657-F754 HydrophobicContact CD1-CZ 4.09Å; L657-F754 HydrophobicContact CD2-CB 4.37Å; L657-F754 HydrophobicContact CD2-CD1 3.74Å; L657-F754 HydrophobicContact CD2-CD2 4.19Å; L657-F754 HydrophobicContact CD2-CE1 4.05Å; L657-F754 HydrophobicContact CD2-CE2 4.46Å; L657-F754 HydrophobicContact CD2-CG 3.83Å; L657-F754 HydrophobicContact CD2-CZ 4.41Å; I659-F754 HydrophobicContact CD1-CE2 4.3Å; I659-F754 HydrophobicContact CG1-CE2 4.25Å; I741-F754 CarbonylContact C-O 3.59Å; I741-F754 VanDerWaalsContact C-O 3.32Å; I741-F754 HydrophobicContact CG2-CD1 4.13Å; R742-F754 CarbonylContact C-O 3.47Å; R742-F754 WeakPolarHBondContact CA-O 3.45Å; R742-F754 PolarHBondContact N-O 3.18Å; H743-F754 HydrophobicContact CB-CB 3.89Å; H743-F754 PolarHBondContact CD2-O 3.09Å; H743-F754 PolarHBondContact N-O 3.31Å; Y750-F754 WeakPolarHBondContact O-CD2 3.35Å; Y750-F754 PolarHBondContact O-N 2.88Å; F754-M822 HydrophobicContact CE1-CE 4.48Å; F754-M822 HydrophobicContact CE1-SD 3.85Å; F754-F846 HydrophobicContact CE1-CE2 4.48Å; F754-F846 AromaticContact CE2-CE2 3.98Å; F754-F846 HydrophobicContact CE2-CE2 3.98Å; F754-F846 HydrophobicContact CZ-CD2 4.17Å; F754-F846 AromaticContact CZ-CE2 3.52Å; F754-F846 HydrophobicContact CZ-CE2 3.52Å; F754-F846 HydrophobicContact CZ-CZ 4.34Å; F754-A847 HydrophobicContact CE1-CB 4.07Å; F754-A847 HydrophobicContact CZ-CB 3.58Å |
| 755 | K | 73.3 | Confident | 70.8 | Confident | 149 Ų | 149 | 48.6 Ų | 48.6 | 65% | 0.648 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -123.9 | 29.8 | 178 | -155.4 | -178.5 | 175 | -179.7 | 0 | 112.1 | P751 | P751-K755 VanDerWaalsContact O-CB 3.3Å; P751-K755 WeakPolarHBondContact O-CB 3.48Å; P751-K755 PolarHBondContact O-N 3.15Å |
| 756 | S | 75 | Confident | 71.2 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.014 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -126.6 | 167.4 | -165 | 41.7 | 0 | 0 | 0 | 0 | 113.1 | I741 R742 S752 I753 H758 | I741-S756 PolarHBondContact N-O 2.9Å; I741-S756 PolarHBondContact O-N 3.41Å; R742-S756 PolarHBondContact NH1-O 3.33Å; S752-S756 VanDerWaalsContact O-CB 3.26Å; S752-S756 WeakPolarHBondContact O-CB 3.34Å; S752-S756 PolarHBondContact O-OG 3.32Å; S752-S756 VanDerWaalsContact O-OG 3.09Å; I753-S756 WeakPolarHBondContact CA-OG 3.47Å; I753-S756 PolarHBondContact O-OG 2.9Å; S756-H758 PolarHBondContact OG-CD2 3.08Å |
| 757 | D | 82.1 | Confident | 71.6 | Confident | 64 Ų | 64 | 40.8 Ų | 40.8 | 34% | 0.342 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 110.1 | -178.7 | -75.9 | 51 | 0 | 0 | 0 | 107.1 | T738 R740 R742 | T738-D757 HydrophobicContact CG2-CB 3.59Å; R740-D757 WeakPolarHBondContact CG-OD2 3.45Å; R740-D757 IonicContact CZ-OD2 3.65Å; R740-D757 IonicContact NE-OD2 2.75Å; R740-D757 PolarHBondContact NE-OD2 2.86Å; R740-D757 IonicContact NH2-OD2 2.71Å; R742-D757 IonicContact CZ-OD1 2.73Å; R742-D757 IonicContact NH1-OD1 2.64Å; R742-D757 PolarHBondContact NH1-OD1 3.46Å; R742-D757 IonicContact NH2-OD1 3.52Å; R742-D757 PolarHBondContact NH2-OD1 2.97Å; R742-D757 IonicContact NH2-OD2 3.3Å |
| 758 | H | 86.6 | Confident | 71.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 116.2 | -170.9 | -82.1 | -115 | 0 | 0 | 0 | 110.2 | T738 L739 I753 S756 C760 T781 Y790 | T738-H758 CarbonylContact C-O 3.52Å; T738-H758 WeakPolarHBondContact CA-O 3.27Å; L739-H758 HydrophobicContact CB-CB 4.08Å; L739-H758 PolarHBondContact N-O 3.07Å; L739-H758 WeakPolarHBondContact O-CB 3.43Å; L739-H758 PolarHBondContact O-N 3.42Å; I753-H758 WeakPolarHBondContact CG2-NE2 3.34Å; S756-H758 PolarHBondContact OG-CD2 3.08Å; H758-C760 PolarHBondContact O-N 3.13Å; H758-T781 HydrophobicContact CB-CG2 4.05Å; H758-T781 WeakPolarHBondContact CE1-CB 3.01Å; H758-T781 PolarHBondContact CE1-OG1 3.3Å; H758-T781 PolarHBondContact ND1-OG1 3.48Å; H758-Y790 AromaticContact CE1-CD2 3.66Å; H758-Y790 AromaticContact NE2-CD2 3.16Å; H758-Y790 WeakPolarHBondContact NE2-CD2 3.26Å; H758-Y790 AromaticContact NE2-CE2 3.37Å; H758-Y790 WeakPolarHBondContact NE2-CE2 3.04Å; H758-Y790 AromaticContact NE2-CG 3.64Å; H758-Y790 AromaticContact NE2-CZ 3.97Å |
| 759 | Q | 85.4 | Confident | 71.9 | Confident | 99 Ų | 99 | 43.3 Ų | 43.3 | 46% | 0.463 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 125.9 | 177.9 | -175.9 | 176.4 | -5.4 | 0 | 0 | 109.9 | I761 T781 Y782 | Q759-I761 HydrophobicContact CG-CD1 4.34Å; Q759-T781 CarbonylContact O-C 3.33Å; Q759-T781 WeakPolarHBondContact O-CA 3.33Å; Q759-T781 WeakPolarHBondContact O-CB 3.41Å; Q759-Y782 PolarHBondContact N-O 3.27Å; Q759-Y782 PolarHBondContact O-N 2.9Å |
| 760 | C | 83.9 | Confident | 71.7 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.02 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 125.5 | 177.1 | -62.9 | 0 | 0 | 0 | 0 | 110.2 | C646 N737 H758 L779 | C646-C760 HydrophobicContact CB-CB 4.02Å; C646-C760 WeakPolarHBondContact CB-SG 3.48Å; C646-C760 WeakPolarHBondContact SG-CB 3.38Å; C646-C760 CovalentContact SG-SG 2.04Å; C646-C760 PolarHBondContact SG-SG 2.82Å; N737-C760 WeakPolarHBondContact O-CB 3.46Å; N737-C760 PolarHBondContact O-N 2.96Å; H758-C760 PolarHBondContact O-N 3.13Å; C760-L779 HydrophobicContact CB-CD1 4.37Å |
| 761 | I | 80.7 | Confident | 71.6 | Confident | 21 Ų | 21 | 45 Ų | 45 | 11% | 0.108 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | -41.5 | -177.4 | -57.8 | -60.1 | 0 | 0 | 0 | 110.5 | I629 T644 Q759 I780 Y789 | I629-I761 HydrophobicContact CG2-CG2 4.09Å; T644-I761 WeakPolarHBondContact CB-O 3.49Å; T644-I761 WeakPolarHBondContact CG2-O 3.38Å; T644-I761 PolarHBondContact OG1-O 2.87Å; Q759-I761 HydrophobicContact CG-CD1 4.34Å; I761-I780 HydrophobicContact CB-CB 4.4Å; I761-I780 HydrophobicContact CB-CG2 4.1Å; I761-I780 PolarHBondContact N-O 2.96Å; I761-Y789 HydrophobicContact CG1-CD1 4.31Å; I761-Y789 HydrophobicContact CG1-CE1 4.13Å |
| 762 | A | 77.4 | Confident | 71.4 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 144.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S590 F764 L779 I780 | S590-A762 WeakPolarHBondContact OG-CB 3.46Å; A762-F764 HydrophobicContact CB-CD2 4.3Å; A762-F764 HydrophobicContact CB-CE2 3.59Å; A762-F764 HydrophobicContact CB-CZ 4.19Å; A762-L779 WeakPolarHBondContact O-CA 3.22Å; A762-L779 WeakPolarHBondContact O-CD1 3.3Å; A762-I780 HydrophobicContact CB-CB 3.96Å; A762-I780 HydrophobicContact CB-CG1 4.02Å; A762-I780 PolarHBondContact N-O 2.87Å; A762-I780 PolarHBondContact O-N 2.96Å |
| 763 | S | 79 | Confident | 71.4 | Confident | 55 Ų | 55 | 49.3 Ų | 49.3 | 39% | 0.385 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 129 | 167.1 | 66.8 | 0 | 0 | 0 | 0 | 110.3 | L778 | S763-L778 CarbonylContact C-O 3.53Å; S763-L778 WeakPolarHBondContact CA-O 3.34Å |
| 764 | F | 76.8 | Confident | 71.5 | Confident | 18 Ų | 18 | 49.4 Ų | 49.4 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 138.7 | 177.3 | -57 | -89.4 | 0 | 0 | 0 | 109.7 | S590 L592 I627 A762 I766 F777 L778 | S590-F764 WeakPolarHBondContact OG-CZ 3.34Å; L592-F764 HydrophobicContact CB-CD1 4.05Å; L592-F764 HydrophobicContact CB-CE1 3.6Å; L592-F764 HydrophobicContact CB-CE2 4.44Å; L592-F764 HydrophobicContact CB-CZ 3.82Å; L592-F764 HydrophobicContact CD2-CD1 4.27Å; L592-F764 HydrophobicContact CD2-CG 4.45Å; I627-F764 HydrophobicContact CD1-CD2 4.46Å; I627-F764 HydrophobicContact CD1-CE2 4.09Å; I627-F764 HydrophobicContact CG1-CE2 4.43Å; A762-F764 HydrophobicContact CB-CD2 4.3Å; A762-F764 HydrophobicContact CB-CE2 3.59Å; A762-F764 HydrophobicContact CB-CZ 4.19Å; F764-I766 HydrophobicContact CB-CG2 4.27Å; F764-F777 WeakPolarHBondContact O-CA 3.39Å; F764-L778 HydrophobicContact CD2-CD2 3.91Å; F764-L778 PolarHBondContact N-O 2.76Å; F764-L778 PolarHBondContact O-N 2.97Å |
| 765 | N | 75.9 | Confident | 72.1 | Confident | 87 Ų | 87 | 49.5 Ų | 49.5 | 47% | 0.465 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 129.1 | 159 | -170.5 | -3.4 | 0 | 0 | 0 | 107.8 | D767 Y776 F777 | N765-D767 PolarHBondContact ND2-OD2 3.39Å; N765-D767 VanDerWaalsContact ND2-OD2 3.15Å; N765-D767 WeakPolarHBondContact OD1-CB 3.37Å; N765-D767 PolarHBondContact OD1-N 3.33Å; N765-D767 PolarHBondContact OD1-OD1 2.78Å; N765-D767 PolarHBondContact OD1-OD2 3.25Å; N765-Y776 PolarHBondContact OD1-O 3.07Å; N765-Y776 VanDerWaalsContact OD1-O 3.08Å; N765-F777 HydrophobicContact CB-CD1 4.16Å; N765-F777 HydrophobicContact CB-CE1 4.14Å |
| 766 | I | 76.4 | Confident | 72.5 | Confident | 23 Ų | 23 | 44.4 Ų | 44.4 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | trans | -117.3 | 16.6 | 178.6 | 56.7 | 169.2 | 0 | 0 | 0 | 112.1 | L592 F764 G768 Y776 L778 I793 Y830 I838 | L592-I766 HydrophobicContact CD2-CG2 4.49Å; F764-I766 HydrophobicContact CB-CG2 4.27Å; I766-G768 PolarHBondContact O-N 3.21Å; I766-G768 VanDerWaalsContact O-N 3.1Å; I766-Y776 VanDerWaalsContact CG1-O 3.28Å; I766-Y776 WeakPolarHBondContact CG1-O 3.35Å; I766-Y776 PolarHBondContact N-O 3.04Å; I766-L778 HydrophobicContact CD1-CB 4.03Å; I766-L778 HydrophobicContact CD1-CD1 4.3Å; I766-L778 HydrophobicContact CG1-CB 4.4Å; I766-L778 HydrophobicContact CG2-CB 4.38Å; I766-I793 HydrophobicContact CD1-CD1 4.31Å; I766-I793 HydrophobicContact CD1-CG1 4.39Å; I766-Y830 HydrophobicContact CD1-CE2 4.37Å; I766-I838 HydrophobicContact CB-CD1 4Å; I766-I838 HydrophobicContact CD1-CD1 3.55Å; I766-I838 HydrophobicContact CG1-CD1 3.56Å; I766-I838 WeakPolarHBondContact O-CD1 3.41Å | ||
| 767 | D | 70.3 | Confident | 72.9 | Confident | 47 Ų | 47 | 47 Ų | 47 | 25% | 0.251 | 26% | 0.261 | S | S | . | . | trans | -48.1 | 108.3 | 169.3 | -83.4 | -11.9 | 0 | 0 | 0 | 112.9 | N765 T771 S775 Y776 | N765-D767 PolarHBondContact ND2-OD2 3.39Å; N765-D767 VanDerWaalsContact ND2-OD2 3.15Å; N765-D767 WeakPolarHBondContact OD1-CB 3.37Å; N765-D767 PolarHBondContact OD1-N 3.33Å; N765-D767 PolarHBondContact OD1-OD1 2.78Å; N765-D767 PolarHBondContact OD1-OD2 3.25Å; D767-T771 HydrophobicContact CB-CG2 3.55Å; D767-S775 WeakPolarHBondContact OD1-CA 3.33Å; D767-S775 WeakPolarHBondContact OD1-CB 3.15Å; D767-S775 PolarHBondContact OD1-OG 3.35Å; D767-S775 VanDerWaalsContact OD1-OG 3.13Å; D767-S775 PolarHBondContact OD2-OG 2.73Å; D767-Y776 PolarHBondContact OD1-N 3.34Å | ||
| 768 | G | 60.4 | Low | 73.1 | Confident | 17 Ų | 17 | 44.1 Ų | 44.1 | 18% | 0.175 | 25% | 0.245 | C | C | . | . | trans | -76.4 | 174.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I766 S770 T771 | I766-G768 PolarHBondContact O-N 3.21Å; I766-G768 VanDerWaalsContact O-N 3.1Å; G768-S770 PolarHBondContact O-N 3.04Å; G768-T771 VanDerWaalsContact O-CG2 3.28Å; G768-T771 WeakPolarHBondContact O-CG2 3.41Å | ||
| 769 | I | 53.7 | Low | 73.2 | Confident | 139 Ų | 139 | 44.3 Ų | 44.3 | 71% | 0.713 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -29.8 | -172.4 | -71.2 | 157.3 | 0 | 0 | 0 | 115.5 | E836 | I769-E836 HydrophobicContact CD1-CG 4.45Å; I769-E836 VanDerWaalsContact CD1-OE2 3.26Å; I769-E836 WeakPolarHBondContact CD1-OE2 3.42Å; I769-E836 VanDerWaalsContact CG1-OE2 3.26Å; I769-E836 WeakPolarHBondContact CG1-OE2 3.45Å |
| 770 | S | 52 | Low | 73.2 | Confident | 52 Ų | 52 | 39.6 Ų | 39.6 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 59.2 | -175.7 | 89.9 | 0 | 0 | 0 | 0 | 115.9 | G768 I772 N837 | G768-S770 PolarHBondContact O-N 3.04Å; S770-I772 PolarHBondContact O-N 3.19Å; S770-N837 VanDerWaalsContact OG-CG 3.32Å; S770-N837 PolarHBondContact OG-ND2 2.88Å; S770-N837 PolarHBondContact OG-OD1 3.14Å |
| 771 | T | 56.9 | Low | 73.4 | Confident | 45 Ų | 45 | 39.4 Ų | 39.4 | 28% | 0.276 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 30.1 | 176.3 | 65.5 | 0 | 0 | 0 | 0 | 116.2 | D767 G768 R798 | D767-T771 HydrophobicContact CB-CG2 3.55Å; G768-T771 VanDerWaalsContact O-CG2 3.28Å; G768-T771 WeakPolarHBondContact O-CG2 3.41Å; T771-R798 PolarHBondContact O-NH1 3.48Å |
| 772 | I | 56.5 | Low | 73.6 | Confident | 128 Ų | 128 | 40.3 Ų | 40.3 | 66% | 0.656 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -39.6 | -168.7 | -58.6 | 178.7 | 0 | 0 | 0 | 111.8 | S770 | S770-I772 PolarHBondContact O-N 3.19Š|
| 773 | S | 61.9 | Low | 73.9 | Confident | 81 Ų | 81 | 40.3 Ų | 40.3 | 57% | 0.566 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -108 | -28.2 | -175.9 | 51.4 | 0 | 0 | 0 | 0 | 114.5 | R798 | S773-R798 PolarHBondContact O-N 3.07Š|
| 774 | A | 69.4 | Low | 73.9 | Confident | 7 Ų | 7 | 46 Ų | 46 | 6% | 0.058 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 156.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y776 Q795 V796 | A774-Y776 HydrophobicContact CB-CE2 4.2Å; A774-Q795 HydrophobicContact CB-CG 4.18Å; A774-V796 CarbonylContact C-O 3.57Å; A774-V796 VanDerWaalsContact CA-O 3.29Å; A774-V796 WeakPolarHBondContact CA-O 3.45Å |
| 775 | S | 80 | Confident | 73.8 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.014 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 153.8 | 161.4 | -87.8 | 0 | 0 | 0 | 0 | 111.1 | D767 Q795 V796 R798 | D767-S775 WeakPolarHBondContact OD1-CA 3.33Å; D767-S775 WeakPolarHBondContact OD1-CB 3.15Å; D767-S775 PolarHBondContact OD1-OG 3.35Å; D767-S775 VanDerWaalsContact OD1-OG 3.13Å; D767-S775 PolarHBondContact OD2-OG 2.73Å; S775-Q795 WeakPolarHBondContact O-CA 3.07Å; S775-V796 PolarHBondContact N-O 2.99Å; S775-V796 PolarHBondContact O-N 2.71Å; S775-R798 PolarHBondContact OG-NH2 2.82Å |
| 776 | Y | 83.1 | Confident | 73.7 | Confident | 41 Ų | 41 | 48.6 Ų | 48.6 | 16% | 0.161 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 118.7 | -178.6 | -66 | -84.5 | 0 | 0 | 0 | 112.2 | N765 I766 D767 A774 I793 Q795 I838 L840 | N765-Y776 PolarHBondContact OD1-O 3.07Å; N765-Y776 VanDerWaalsContact OD1-O 3.08Å; I766-Y776 VanDerWaalsContact CG1-O 3.28Å; I766-Y776 WeakPolarHBondContact CG1-O 3.35Å; I766-Y776 PolarHBondContact N-O 3.04Å; D767-Y776 PolarHBondContact OD1-N 3.34Å; A774-Y776 HydrophobicContact CB-CE2 4.2Å; Y776-I793 HydrophobicContact CD1-CG2 3.99Å; Y776-Q795 HydrophobicContact CD1-CB 3.96Å; Y776-Q795 HydrophobicContact CD1-CG 4.2Å; Y776-Q795 HydrophobicContact CE1-CB 3.74Å; Y776-Q795 HydrophobicContact CE1-CG 3.63Å; Y776-I838 HydrophobicContact CD1-CD1 4.48Å; Y776-I838 HydrophobicContact CD1-CG2 4.37Å; Y776-I838 HydrophobicContact CD2-CB 4.19Å; Y776-I838 HydrophobicContact CD2-CD1 3.83Å; Y776-I838 HydrophobicContact CE1-CG2 4.33Å; Y776-I838 HydrophobicContact CE2-CB 4.16Å; Y776-I838 HydrophobicContact CG-CB 4.42Å; Y776-I838 HydrophobicContact CG-CD1 3.74Å; Y776-L840 HydrophobicContact CE1-CD1 4.14Å |
| 777 | F | 83.6 | Confident | 73.8 | Confident | 58 Ų | 58 | 53 Ų | 53 | 25% | 0.254 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 139.8 | 171.5 | -57.8 | -85.5 | 0 | 0 | 0 | 110 | F764 N765 I793 I794 V796 | F764-F777 WeakPolarHBondContact O-CA 3.39Å; N765-F777 HydrophobicContact CB-CD1 4.16Å; N765-F777 HydrophobicContact CB-CE1 4.14Å; F777-I793 WeakPolarHBondContact O-CA 3.47Å; F777-I794 HydrophobicContact CB-CB 4.4Å; F777-I794 PolarHBondContact N-O 3.4Å; F777-I794 PolarHBondContact O-N 3.35Å; F777-V796 HydrophobicContact CD2-CG2 3.99Å; F777-V796 HydrophobicContact CE2-CG2 3.93Å |
| 778 | L | 86 | Confident | 74.2 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 126 | 174.1 | -173.6 | 155.8 | 0 | 0 | 0 | 108.8 | I627 S763 F764 I766 I780 L792 I793 C828 Y830 | I627-L778 HydrophobicContact CD1-CD1 4.26Å; I627-L778 HydrophobicContact CD1-CD2 3.49Å; I627-L778 VanDerWaalsContact CD1-CD2 3.49Å; S763-L778 CarbonylContact C-O 3.53Å; S763-L778 WeakPolarHBondContact CA-O 3.34Å; F764-L778 HydrophobicContact CD2-CD2 3.91Å; F764-L778 PolarHBondContact N-O 2.76Å; F764-L778 PolarHBondContact O-N 2.97Å; I766-L778 HydrophobicContact CD1-CB 4.03Å; I766-L778 HydrophobicContact CD1-CD1 4.3Å; I766-L778 HydrophobicContact CG1-CB 4.4Å; I766-L778 HydrophobicContact CG2-CB 4.38Å; L778-I780 HydrophobicContact CD2-CD1 3.66Å; L778-I780 HydrophobicContact CD2-CG1 3.99Å; L778-L792 WeakPolarHBondContact CA-O 3.32Å; L778-I793 HydrophobicContact CB-CG1 4.38Å; L778-I793 HydrophobicContact CD1-CD1 4.44Å; L778-I793 HydrophobicContact CD1-CG1 4.23Å; L778-I793 HydrophobicContact CG-CG1 4.24Å; L778-C828 HydrophobicContact CD1-CB 4.04Å; L778-Y830 HydrophobicContact CD1-CE1 4.14Å |
| 779 | L | 87.3 | Confident | 75.4 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 122.9 | -178.4 | 176.7 | 67 | 0 | 0 | 0 | 109.1 | L648 L739 C760 A762 T781 L792 I794 | L648-L779 HydrophobicContact CD1-CD2 4.42Å; L739-L779 HydrophobicContact CD2-CD2 3.97Å; C760-L779 HydrophobicContact CB-CD1 4.37Å; A762-L779 WeakPolarHBondContact O-CA 3.22Å; A762-L779 WeakPolarHBondContact O-CD1 3.3Å; L779-T781 HydrophobicContact CD2-CG2 4.29Å; L779-T781 HydrophobicContact CG-CG2 4.12Å; L779-L792 HydrophobicContact CB-CB 4.37Å; L779-L792 PolarHBondContact N-O 3.27Å; L779-L792 WeakPolarHBondContact O-CD1 3.45Å; L779-L792 PolarHBondContact O-N 2.95Å; L779-I794 HydrophobicContact CD2-CD1 4.45Å |
| 780 | I | 85.9 | Confident | 77 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 129.5 | 170.2 | -54.9 | -54.7 | 0 | 0 | 0 | 108.9 | I627 I629 I761 A762 L778 Y789 C791 P826 | I627-I780 HydrophobicContact CD1-CD1 3.78Å; I627-I780 HydrophobicContact CD1-CG1 3.97Å; I627-I780 HydrophobicContact CG2-CG1 4.4Å; I629-I780 HydrophobicContact CD1-CG2 4.24Å; I761-I780 HydrophobicContact CB-CB 4.4Å; I761-I780 HydrophobicContact CB-CG2 4.1Å; I761-I780 PolarHBondContact N-O 2.96Å; A762-I780 HydrophobicContact CB-CB 3.96Å; A762-I780 HydrophobicContact CB-CG1 4.02Å; A762-I780 PolarHBondContact N-O 2.87Å; A762-I780 PolarHBondContact O-N 2.96Å; L778-I780 HydrophobicContact CD2-CD1 3.66Å; L778-I780 HydrophobicContact CD2-CG1 3.99Å; I780-Y789 HydrophobicContact CG2-CD1 4.46Å; I780-C791 HydrophobicContact CD1-CB 3.6Å; I780-C791 WeakPolarHBondContact CD1-SG 3.09Å; I780-P826 HydrophobicContact CD1-CB 4.17Å; I780-P826 VanDerWaalsContact CD1-O 3.29Å; I780-P826 WeakPolarHBondContact CD1-O 3.41Å; I780-P826 HydrophobicContact CG2-CB 4.17Å |
| 781 | T | 87.7 | Confident | 78.8 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 158.7 | 171.9 | 64.5 | 0 | 0 | 0 | 0 | 112 | L739 H758 Q759 L779 Y789 Y790 L792 | L739-T781 HydrophobicContact CB-CG2 4.4Å; L739-T781 HydrophobicContact CD2-CG2 4.06Å; H758-T781 HydrophobicContact CB-CG2 4.05Å; H758-T781 WeakPolarHBondContact CE1-CB 3.01Å; H758-T781 PolarHBondContact CE1-OG1 3.3Å; H758-T781 PolarHBondContact ND1-OG1 3.48Å; Q759-T781 CarbonylContact O-C 3.33Å; Q759-T781 WeakPolarHBondContact O-CA 3.33Å; Q759-T781 WeakPolarHBondContact O-CB 3.41Å; L779-T781 HydrophobicContact CD2-CG2 4.29Å; L779-T781 HydrophobicContact CG-CG2 4.12Å; T781-Y789 CarbonylContact O-C 3.55Å; T781-Y789 VanDerWaalsContact O-CA 3.3Å; T781-Y789 WeakPolarHBondContact O-CA 3.44Å; T781-Y790 PolarHBondContact N-O 3.19Å; T781-Y790 PolarHBondContact O-N 3.11Å; T781-L792 HydrophobicContact CG2-CD1 3.99Å |
| 782 | Y | 85.7 | Confident | 80.4 | Confident | 40 Ų | 40 | 42 Ų | 42 | 16% | 0.157 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 133.9 | 173.3 | 168.5 | -107.6 | 0 | 0 | 0 | 109.5 | Q759 K784 D787 Y789 | Q759-Y782 PolarHBondContact N-O 3.27Å; Q759-Y782 PolarHBondContact O-N 2.9Å; Y782-K784 HydrophobicContact CE1-CB 3.96Å; Y782-K784 HydrophobicContact CE1-CG 4.48Å; Y782-D787 WeakPolarHBondContact CE2-OD1 3.3Å; Y782-D787 PolarHBondContact OH-OD1 3.44Å; Y782-Y789 HydrophobicContact CD2-CD1 4.08Å; Y782-Y789 HydrophobicContact CD2-CD2 4.45Å; Y782-Y789 AromaticContact CD2-CE1 3.86Å; Y782-Y789 HydrophobicContact CD2-CE1 3.86Å; Y782-Y789 HydrophobicContact CD2-CE2 4.23Å; Y782-Y789 HydrophobicContact CD2-CG 4.38Å; Y782-Y789 AromaticContact CD2-CZ 3.94Å; Y782-Y789 HydrophobicContact CG-CD1 4.41Å; Y782-Y789 HydrophobicContact CG-CE1 4.13Å |
| 783 | L | 83.9 | Confident | 82 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 104.6 | 178 | 179.2 | 53.9 | 0 | 0 | 0 | 110.2 | S752 I753 I785 T786 D787 Q788 Y790 | S752-L783 WeakPolarHBondContact O-CD2 3.41Å; I753-L783 HydrophobicContact CB-CD2 4.38Å; I753-L783 HydrophobicContact CG1-CD2 4.13Å; I753-L783 HydrophobicContact CG2-CD2 4.47Å; L783-I785 HydrophobicContact CD1-CB 4.09Å; L783-I785 HydrophobicContact CD1-CD1 4.29Å; L783-I785 HydrophobicContact CD1-CG1 4.15Å; L783-I785 HydrophobicContact CG-CB 4.19Å; L783-I785 PolarHBondContact O-N 3.18Å; L783-T786 HydrophobicContact CD2-CG2 3.97Å; L783-T786 WeakPolarHBondContact CD2-OG1 3.44Å; L783-T786 HydrophobicContact CG-CG2 4.5Å; L783-T786 WeakPolarHBondContact CG-OG1 3.22Å; L783-T786 PolarHBondContact O-N 3.4Å; L783-T786 VanDerWaalsContact O-N 3.1Å; L783-T786 PolarHBondContact O-OG1 2.8Å; L783-D787 PolarHBondContact O-N 3.45Å; L783-Q788 PolarHBondContact N-O 2.87Å; L783-Y790 HydrophobicContact CB-CD2 4.22Å; L783-Y790 HydrophobicContact CB-CE2 3.6Å; L783-Y790 HydrophobicContact CD2-CE2 4.05Å; L783-Y790 HydrophobicContact CG-CE2 4.47Å |
| 784 | K | 77.7 | Confident | 83.3 | Confident | 173 Ų | 173 | 32.3 Ų | 32.3 | 75% | 0.752 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -18.4 | -179.8 | -171.4 | 175.1 | 178.3 | -179.6 | 0 | 114.7 | Y782 | Y782-K784 HydrophobicContact CE1-CB 3.96Å; Y782-K784 HydrophobicContact CE1-CG 4.48Å |
| 785 | I | 74.8 | Confident | 84.2 | Confident | 120 Ų | 120 | 33.7 Ų | 33.7 | 62% | 0.615 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -33.5 | 178.6 | -59.6 | 176.9 | 0 | 0 | 0 | 111.5 | L783 | L783-I785 HydrophobicContact CD1-CB 4.09Å; L783-I785 HydrophobicContact CD1-CD1 4.29Å; L783-I785 HydrophobicContact CD1-CG1 4.15Å; L783-I785 HydrophobicContact CG-CB 4.19Å; L783-I785 PolarHBondContact O-N 3.18Å |
| 786 | T | 74.8 | Confident | 84.4 | Confident | 40 Ų | 40 | 34.2 Ų | 34.2 | 25% | 0.245 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -8.3 | -177.9 | 52.6 | 0 | 0 | 0 | 0 | 113.4 | L783 Q788 Y790 | L783-T786 HydrophobicContact CD2-CG2 3.97Å; L783-T786 WeakPolarHBondContact CD2-OG1 3.44Å; L783-T786 HydrophobicContact CG-CG2 4.5Å; L783-T786 WeakPolarHBondContact CG-OG1 3.22Å; L783-T786 PolarHBondContact O-N 3.4Å; L783-T786 VanDerWaalsContact O-N 3.1Å; L783-T786 PolarHBondContact O-OG1 2.8Å; T786-Q788 PolarHBondContact O-N 3.18Å; T786-Y790 PolarHBondContact OG1-OH 2.92Å |
| 787 | D | 77.3 | Confident | 84.1 | Confident | 115 Ų | 115 | 34.8 Ų | 34.8 | 62% | 0.615 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 40.1 | -170.7 | -157.4 | 11.9 | 0 | 0 | 0 | 112.4 | Y782 L783 | Y782-D787 WeakPolarHBondContact CE2-OD1 3.3Å; Y782-D787 PolarHBondContact OH-OD1 3.44Å; L783-D787 PolarHBondContact O-N 3.45Å |
| 788 | Q | 80.2 | Confident | 83.2 | Confident | 30 Ų | 30 | 37.5 Ų | 37.5 | 14% | 0.14 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 149.2 | -175.5 | -73.7 | 175.4 | 6.5 | 0 | 0 | 112.5 | L783 T786 Y790 | L783-Q788 PolarHBondContact N-O 2.87Å; T786-Q788 PolarHBondContact O-N 3.18Å; Q788-Y790 HydrophobicContact CB-CE2 3.78Å; Q788-Y790 WeakPolarHBondContact CB-OH 3.23Å; Q788-Y790 PolarHBondContact OE1-OH 2.92Å |
| 789 | Y | 85.4 | Confident | 81.7 | Confident | 39 Ų | 39 | 40.3 Ų | 40.3 | 15% | 0.153 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 135.6 | 171.5 | -64.1 | -87.4 | 0 | 0 | 0 | 110.9 | I497 I629 I761 I780 T781 Y782 S825 | I497-Y789 HydrophobicContact CD1-CD2 3.77Å; I497-Y789 HydrophobicContact CD1-CE2 3.63Å; I629-Y789 HydrophobicContact CD1-CD1 3.41Å; I629-Y789 VanDerWaalsContact CD1-CD1 3.41Å; I629-Y789 HydrophobicContact CD1-CD2 4.23Å; I629-Y789 HydrophobicContact CD1-CE1 3.58Å; I629-Y789 HydrophobicContact CD1-CE2 4.38Å; I629-Y789 HydrophobicContact CD1-CG 3.75Å; I629-Y789 HydrophobicContact CG2-CE1 4.09Å; I761-Y789 HydrophobicContact CG1-CD1 4.31Å; I761-Y789 HydrophobicContact CG1-CE1 4.13Å; I780-Y789 HydrophobicContact CG2-CD1 4.46Å; T781-Y789 CarbonylContact O-C 3.55Å; T781-Y789 VanDerWaalsContact O-CA 3.3Å; T781-Y789 WeakPolarHBondContact O-CA 3.44Å; Y782-Y789 HydrophobicContact CD2-CD1 4.08Å; Y782-Y789 HydrophobicContact CD2-CD2 4.45Å; Y782-Y789 AromaticContact CD2-CE1 3.86Å; Y782-Y789 HydrophobicContact CD2-CE1 3.86Å; Y782-Y789 HydrophobicContact CD2-CE2 4.23Å; Y782-Y789 HydrophobicContact CD2-CG 4.38Å; Y782-Y789 AromaticContact CD2-CZ 3.94Å; Y782-Y789 HydrophobicContact CG-CD1 4.41Å; Y782-Y789 HydrophobicContact CG-CE1 4.13Å; Y789-S825 CarbonylContact O-C 3.56Å; Y789-S825 WeakPolarHBondContact O-CA 3.18Å; Y789-S825 PolarHBondContact O-N 3.35Å |
| 790 | Y | 87.3 | Confident | 79.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 135.8 | 178.2 | -56 | -91.6 | 0 | 0 | 0 | 110.1 | I753 H758 T781 L783 T786 Q788 Y823 H824 F846 | I753-Y790 HydrophobicContact CD1-CE1 3.99Å; I753-Y790 HydrophobicContact CG2-CE1 4.24Å; H758-Y790 AromaticContact CE1-CD2 3.66Å; H758-Y790 AromaticContact NE2-CD2 3.16Å; H758-Y790 WeakPolarHBondContact NE2-CD2 3.26Å; H758-Y790 AromaticContact NE2-CE2 3.37Å; H758-Y790 WeakPolarHBondContact NE2-CE2 3.04Å; H758-Y790 AromaticContact NE2-CG 3.64Å; H758-Y790 AromaticContact NE2-CZ 3.97Å; T781-Y790 PolarHBondContact N-O 3.19Å; T781-Y790 PolarHBondContact O-N 3.11Å; L783-Y790 HydrophobicContact CB-CD2 4.22Å; L783-Y790 HydrophobicContact CB-CE2 3.6Å; L783-Y790 HydrophobicContact CD2-CE2 4.05Å; L783-Y790 HydrophobicContact CG-CE2 4.47Å; T786-Y790 PolarHBondContact OG1-OH 2.92Å; Q788-Y790 HydrophobicContact CB-CE2 3.78Å; Q788-Y790 WeakPolarHBondContact CB-OH 3.23Å; Q788-Y790 PolarHBondContact OE1-OH 2.92Å; Y790-Y823 WeakPolarHBondContact CA-O 3.48Å; Y790-H824 AromaticContact CE1-ND1 3.73Å; Y790-F846 AromaticContact CD1-CE1 3.96Å; Y790-F846 HydrophobicContact CD1-CE1 3.96Å; Y790-F846 AromaticContact CD1-CZ 3.99Å; Y790-F846 HydrophobicContact CD1-CZ 3.99Å; Y790-F846 HydrophobicContact CE1-CE1 4.44Å; Y790-F846 HydrophobicContact CE1-CZ 4.22Å |
| 791 | C | 89.8 | Confident | 77.6 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 132.9 | 170.9 | -170.7 | 0 | 0 | 0 | 0 | 110.2 | I780 Y823 S825 P826 C828 | I780-C791 HydrophobicContact CD1-CB 3.6Å; I780-C791 WeakPolarHBondContact CD1-SG 3.09Å; C791-Y823 PolarHBondContact N-O 2.7Å; C791-Y823 PolarHBondContact O-N 3.02Å; C791-S825 WeakPolarHBondContact CB-O 3.48Å; C791-S825 PolarHBondContact N-O 3.16Å; C791-P826 WeakPolarHBondContact CB-O 3.34Å; C791-C828 VanDerWaalsContact C-SG 3.55Å; C791-C828 HydrophobicContact CB-CB 4Å; C791-C828 WeakPolarHBondContact CB-SG 3.41Å; C791-C828 WeakPolarHBondContact SG-CB 3.29Å; C791-C828 PolarHBondContact SG-N 3.06Å; C791-C828 VanDerWaalsContact SG-N 3.44Å; C791-C828 CovalentContact SG-SG 2.01Å; C791-C828 PolarHBondContact SG-SG 2.9Å |
| 792 | L | 91.1 | Very high | 75.2 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 124.4 | 178.3 | -60 | 83.9 | 0 | 0 | 0 | 108.6 | L739 L778 L779 T781 I820 F821 M822 | L739-L792 HydrophobicContact CD2-CD2 3.9Å; L778-L792 WeakPolarHBondContact CA-O 3.32Å; L779-L792 HydrophobicContact CB-CB 4.37Å; L779-L792 PolarHBondContact N-O 3.27Å; L779-L792 WeakPolarHBondContact O-CD1 3.45Å; L779-L792 PolarHBondContact O-N 2.95Å; T781-L792 HydrophobicContact CG2-CD1 3.99Å; L792-I820 HydrophobicContact CB-CG2 4.08Å; L792-I820 HydrophobicContact CD2-CG2 4.1Å; L792-F821 VanDerWaalsContact CA-O 3.3Å; L792-F821 WeakPolarHBondContact CA-O 3.41Å; L792-M822 HydrophobicContact CD2-CE 4Å; L792-M822 HydrophobicContact CD2-CG 4.17Å; L792-M822 HydrophobicContact CD2-SD 4.28Å; L792-M822 HydrophobicContact CG-CE 4.22Å; L792-M822 HydrophobicContact CG-CG 4.08Å |
| 793 | I | 89.4 | Confident | 72.8 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 124.2 | 164.7 | -70.6 | 166.6 | 0 | 0 | 0 | 109.1 | I766 Y776 F777 L778 I820 F821 C828 Y830 L840 | I766-I793 HydrophobicContact CD1-CD1 4.31Å; I766-I793 HydrophobicContact CD1-CG1 4.39Å; Y776-I793 HydrophobicContact CD1-CG2 3.99Å; F777-I793 WeakPolarHBondContact O-CA 3.47Å; L778-I793 HydrophobicContact CB-CG1 4.38Å; L778-I793 HydrophobicContact CD1-CD1 4.44Å; L778-I793 HydrophobicContact CD1-CG1 4.23Å; L778-I793 HydrophobicContact CG-CG1 4.24Å; I793-I820 VanDerWaalsContact O-CA 3.32Å; I793-I820 WeakPolarHBondContact O-CA 3.29Å; I793-F821 PolarHBondContact N-O 3.03Å; I793-F821 PolarHBondContact O-N 3.39Å; I793-C828 HydrophobicContact CD1-CB 3.66Å; I793-C828 HydrophobicContact CG1-CB 4.1Å; I793-Y830 HydrophobicContact CD1-CD1 3.91Å; I793-Y830 HydrophobicContact CD1-CG 4.16Å; I793-L840 HydrophobicContact CB-CD2 4.25Å; I793-L840 HydrophobicContact CD1-CD2 3.52Å; I793-L840 HydrophobicContact CG1-CD2 4.47Å; I793-L840 HydrophobicContact CG2-CD1 4.33Å; I793-L840 HydrophobicContact CG2-CD2 3.92Å |
| 794 | I | 88.4 | Confident | 70.2 | Confident | 6 Ų | 6 | 70 Ų | 70 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 105.1 | 179.1 | -51.8 | -178.4 | 0 | 0 | 0 | 107.8 | L648 F777 L779 V796 Y818 I820 | L648-I794 HydrophobicContact CD1-CD1 4.06Å; L648-I794 HydrophobicContact CD2-CD1 4.08Å; L648-I794 HydrophobicContact CG-CD1 4.31Å; F777-I794 HydrophobicContact CB-CB 4.4Å; F777-I794 PolarHBondContact N-O 3.4Å; F777-I794 PolarHBondContact O-N 3.35Å; L779-I794 HydrophobicContact CD2-CD1 4.45Å; I794-V796 HydrophobicContact CG2-CG2 4.28Å; I794-Y818 HydrophobicContact CG2-CD1 4.12Å; I794-I820 HydrophobicContact CB-CG1 4.4Å; I794-I820 HydrophobicContact CD1-CD1 4.24Å; I794-I820 HydrophobicContact CG1-CD1 4.05Å; I794-I820 HydrophobicContact CG1-CG1 4.05Å; I794-I820 HydrophobicContact CG1-CG2 4.18Å; I794-I820 HydrophobicContact CG2-CD1 4.42Å; I794-I820 HydrophobicContact CG2-CG1 4.16Å |
| 795 | Q | 88.4 | Confident | 68 | Low | 36 Ų | 36 | 69.2 Ų | 69.2 | 17% | 0.168 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 117.8 | 171.4 | 177.4 | -175.7 | -9.9 | 0 | 0 | 109.3 | A774 S775 Y776 N797 Y818 T819 | A774-Q795 HydrophobicContact CB-CG 4.18Å; S775-Q795 WeakPolarHBondContact O-CA 3.07Å; Y776-Q795 HydrophobicContact CD1-CB 3.96Å; Y776-Q795 HydrophobicContact CD1-CG 4.2Å; Y776-Q795 HydrophobicContact CE1-CB 3.74Å; Y776-Q795 HydrophobicContact CE1-CG 3.63Å; Q795-N797 PolarHBondContact NE2-OD1 2.74Å; Q795-Y818 WeakPolarHBondContact O-CA 3.27Å; Q795-T819 PolarHBondContact N-O 3.18Å; Q795-T819 PolarHBondContact O-N 3.16Å |
| 796 | V | 84.9 | Confident | 66 | Low | 12 Ų | 12 | 71.2 Ų | 71.2 | 7% | 0.073 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 107.3 | 175.8 | -172.6 | 0 | 0 | 0 | 0 | 108.7 | A774 S775 F777 I794 Y818 | A774-V796 CarbonylContact C-O 3.57Å; A774-V796 VanDerWaalsContact CA-O 3.29Å; A774-V796 WeakPolarHBondContact CA-O 3.45Å; S775-V796 PolarHBondContact N-O 2.99Å; S775-V796 PolarHBondContact O-N 2.71Å; F777-V796 HydrophobicContact CD2-CG2 3.99Å; F777-V796 HydrophobicContact CE2-CG2 3.93Å; I794-V796 HydrophobicContact CG2-CG2 4.28Å; V796-Y818 HydrophobicContact CG1-CD1 4.42Å; V796-Y818 HydrophobicContact CG1-CE1 4.05Å; V796-Y818 HydrophobicContact CG2-CD1 3.84Å; V796-Y818 HydrophobicContact CG2-CE1 3.84Å |
| 797 | N | 77.2 | Confident | 64 | Low | 53 Ų | 53 | 76 Ų | 76 | 28% | 0.283 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 126.3 | -179.5 | -69 | -51.6 | 0 | 0 | 0 | 110.9 | Q795 N817 | Q795-N797 PolarHBondContact NE2-OD1 2.74Å; N797-N817 PolarHBondContact N-O 2.93Å |
| 798 | R | 65.1 | Low | 61.8 | Low | 115 Ų | 115 | 77.9 Ų | 77.9 | 43% | 0.434 | 42% | 0.423 | S | S | . | . | trans | -96.7 | 112.1 | 179.3 | -60.6 | -179.7 | -177.2 | 179.2 | 1.2 | 109.1 | T771 S773 S775 | T771-R798 PolarHBondContact O-NH1 3.48Å; S773-R798 PolarHBondContact O-N 3.07Å; S775-R798 PolarHBondContact OG-NH2 2.82Å | ||
| 799 | S | 54.1 | Low | 59.4 | Low | 62 Ų | 62 | 84 Ų | 84 | 43% | 0.434 | 46% | 0.456 | S | S | . | . | trans | -75.6 | 136.1 | 171.5 | 56.3 | 0 | 0 | 0 | 0 | 110.8 | D801 | S799-D801 VanDerWaalsContact C-N 3.3Å; S799-D801 WeakPolarHBondContact CB-OD2 3.25Å; S799-D801 PolarHBondContact O-N 2.91Å | ||
| 800 | N | 44.6 | Very low | 56.9 | Low | 122 Ų | 122 | 89.1 Ų | 89.1 | 65% | 0.652 | 49% | 0.487 | S | S | * | . | trans | -88 | 6.8 | -177.4 | -81.3 | -30.2 | 0 | 0 | 0 | 113.7 | G802 | N800-G802 PolarHBondContact O-N 3.11Š| ||
| 801 | D | 42.8 | Very low | 54.4 | Low | 142 Ų | 142 | 96.7 Ų | 96.7 | 76% | 0.759 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | 5.6 | -171.3 | -52.5 | -50.8 | 0 | 0 | 0 | 114.5 | S799 | S799-D801 VanDerWaalsContact C-N 3.3Å; S799-D801 WeakPolarHBondContact CB-OD2 3.25Å; S799-D801 PolarHBondContact O-N 2.91Å |
| 802 | G | 37.6 | Very low | 51.8 | Low | 77 Ų | 77 | 103.8 Ų | 103.8 | 79% | 0.794 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -0.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | N800 | N800-G802 PolarHBondContact O-N 3.11Š|
| 803 | M | 33.4 | Very low | 49.4 | Very low | 179 Ų | 179 | 108.5 Ų | 108.5 | 88% | 0.882 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -106.8 | -3.9 | -176.7 | -83 | -163.9 | 167.5 | 0 | 0 | 116.2 | ||
| 804 | N | 31 | Very low | 47.4 | Very low | 148 Ų | 148 | 112.3 Ų | 112.3 | 79% | 0.791 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -129 | 79.5 | 177.1 | -86.1 | -24.8 | 0 | 0 | 0 | 111.4 | ||
| 805 | N | 31 | Very low | 45.8 | Very low | 156 Ų | 156 | 117.5 Ų | 117.5 | 83% | 0.834 | 64% | 0.64 | S | S | * | * | trans | -168.5 | 92.5 | 151.2 | -99.5 | -24.9 | 0 | 0 | 0 | 111.3 | N807 | N805-N807 PolarHBondContact O-N 2.96Š| ||
| 806 | N | 32.8 | Very low | 44.9 | Very low | 163 Ų | 163 | 118.9 Ų | 118.9 | 87% | 0.872 | 65% | 0.646 | S | S | * | * | trans | -81.8 | 90.7 | 158.8 | -77.8 | -15.2 | 0 | 0 | 0 | 108.2 | ||||
| 807 | N | 31.8 | Very low | 44.7 | Very low | 141 Ų | 141 | 122.5 Ų | 122.5 | 75% | 0.754 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 163.5 | 152.5 | 145.5 | -83 | -20.2 | 0 | 0 | 0 | 111.9 | N805 | N805-N807 PolarHBondContact O-N 2.96Š|
| 808 | N | 31.1 | Very low | 45.1 | Very low | 154 Ų | 154 | 120.1 Ų | 120.1 | 82% | 0.824 | 65% | 0.652 | S | S | * | * | trans | 69.7 | 120.7 | 170.3 | -63.1 | 0.4 | 0 | 0 | 0 | 118 | N810 | N808-N810 PolarHBondContact O-N 3.46Š| ||
| 809 | D | 31.2 | Very low | 46.3 | Very low | 157 Ų | 157 | 115.4 Ų | 115.4 | 84% | 0.84 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -63.4 | 108.8 | 175.7 | -52.2 | -83.9 | 0 | 0 | 0 | 112.6 | ||
| 810 | N | 32 | Very low | 48 | Very low | 148 Ų | 148 | 112.5 Ų | 112.5 | 79% | 0.791 | 62% | 0.616 | S | S | * | * | trans | -179 | 82.2 | 141.4 | -94.5 | -44.2 | 0 | 0 | 0 | 109.2 | N808 N812 | N808-N810 PolarHBondContact O-N 3.46Å; N810-N812 VanDerWaalsContact C-N 3.29Å; N810-N812 PolarHBondContact O-N 3.36Å | ||
| 811 | I | 34.5 | Very low | 50.1 | Low | 159 Ų | 159 | 106.8 Ų | 106.8 | 82% | 0.815 | 59% | 0.585 | S | S | * | * | trans | -75.7 | 84.9 | 175.9 | -54.9 | 178.6 | 0 | 0 | 0 | 108.8 | H813 | I811-H813 PolarHBondContact O-N 3.32Å; I811-H813 VanDerWaalsContact O-N 3.15Å | ||
| 812 | N | 34.7 | Very low | 52.3 | Low | 148 Ų | 148 | 100 Ų | 100 | 79% | 0.791 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 116.5 | 159.9 | -78.3 | -25.2 | 0 | 0 | 0 | 107.8 | N810 S814 | N810-N812 VanDerWaalsContact C-N 3.29Å; N810-N812 PolarHBondContact O-N 3.36Å; N812-S814 PolarHBondContact O-N 3Å |
| 813 | H | 41.3 | Very low | 54.6 | Low | 101 Ų | 101 | 96.5 Ų | 96.5 | 47% | 0.468 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 128.6 | 179.9 | -74.5 | -80.6 | 0 | 0 | 0 | 110.1 | I811 N815 | I811-H813 PolarHBondContact O-N 3.32Å; I811-H813 VanDerWaalsContact O-N 3.15Å; H813-N815 PolarHBondContact O-N 3.07Å |
| 814 | S | 47.1 | Very low | 56.9 | Low | 80 Ų | 80 | 89.3 Ų | 89.3 | 56% | 0.559 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 124.9 | -176.8 | 43.2 | 0 | 0 | 0 | 0 | 110.7 | N812 Q816 | N812-S814 PolarHBondContact O-N 3Å; S814-Q816 PolarHBondContact O-N 3.35Å |
| 815 | N | 56.2 | Low | 59.4 | Low | 115 Ų | 115 | 82.3 Ų | 82.3 | 62% | 0.615 | 44% | 0.439 | S | S | * | . | trans | -60.9 | 100 | 174.6 | -76.4 | -21.6 | 0 | 0 | 0 | 109.2 | H813 N817 | H813-N815 PolarHBondContact O-N 3.07Å; N815-N817 PolarHBondContact O-N 2.97Å | ||
| 816 | Q | 67.9 | Low | 61.9 | Low | 65 Ų | 65 | 74.9 Ų | 74.9 | 30% | 0.304 | 40% | 0.399 | S | S | . | . | trans | -70.4 | 129.3 | 173.2 | -70.7 | -179.9 | -22.8 | 0 | 0 | 109 | S814 Y818 F877 | S814-Q816 PolarHBondContact O-N 3.35Å; Q816-Y818 HydrophobicContact CB-CE2 3.81Å; Q816-Y818 VanDerWaalsContact O-CD2 3.28Å; Q816-Y818 WeakPolarHBondContact O-CD2 3.45Å; Q816-Y818 WeakPolarHBondContact O-CE2 3.14Å; Q816-Y818 PolarHBondContact OE1-OH 3.34Å; Q816-F877 VanDerWaalsContact OE1-CE2 3.23Å | ||
| 817 | N | 81.6 | Confident | 64.5 | Low | 87 Ų | 87 | 67.7 Ų | 67.7 | 47% | 0.465 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 128.7 | -178.8 | -68.2 | -17.8 | 0 | 0 | 0 | 109.4 | N797 N815 T852 | N797-N817 PolarHBondContact N-O 2.93Å; N815-N817 PolarHBondContact O-N 2.97Å; N817-T852 WeakPolarHBondContact OD1-CG2 3.38Å |
| 818 | Y | 86.4 | Confident | 67 | Low | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 128.2 | -178.3 | -57.4 | -105.2 | 0 | 0 | 0 | 109 | L653 I794 Q795 V796 Q816 L851 F877 | L653-Y818 HydrophobicContact CD1-CD1 4.28Å; L653-Y818 HydrophobicContact CD1-CG 4.25Å; L653-Y818 HydrophobicContact CD2-CD1 4.34Å; L653-Y818 HydrophobicContact CD2-CD2 3.43Å; L653-Y818 VanDerWaalsContact CD2-CD2 3.43Å; L653-Y818 HydrophobicContact CD2-CE1 4.39Å; L653-Y818 HydrophobicContact CD2-CE2 3.5Å; L653-Y818 HydrophobicContact CD2-CG 3.9Å; I794-Y818 HydrophobicContact CG2-CD1 4.12Å; Q795-Y818 WeakPolarHBondContact O-CA 3.27Å; V796-Y818 HydrophobicContact CG1-CD1 4.42Å; V796-Y818 HydrophobicContact CG1-CE1 4.05Å; V796-Y818 HydrophobicContact CG2-CD1 3.84Å; V796-Y818 HydrophobicContact CG2-CE1 3.84Å; Q816-Y818 HydrophobicContact CB-CE2 3.81Å; Q816-Y818 VanDerWaalsContact O-CD2 3.28Å; Q816-Y818 WeakPolarHBondContact O-CD2 3.45Å; Q816-Y818 WeakPolarHBondContact O-CE2 3.14Å; Q816-Y818 PolarHBondContact OE1-OH 3.34Å; Y818-L851 PolarHBondContact N-O 3.13Å; Y818-L851 PolarHBondContact O-N 3.27Å; Y818-F877 HydrophobicContact CE1-CZ 4.21Å; Y818-F877 WeakPolarHBondContact OH-CE2 3.44Å; Y818-F877 VanDerWaalsContact OH-CZ 3.32Å; Y818-F877 WeakPolarHBondContact OH-CZ 3.44Å |
| 819 | T | 88.3 | Confident | 69.4 | Low | 16 Ų | 16 | 56.7 Ų | 56.7 | 10% | 0.098 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 125.4 | 166.1 | -53.9 | 0 | 0 | 0 | 0 | 107.8 | Q795 F821 K848 L849 L850 | Q795-T819 PolarHBondContact N-O 3.18Å; Q795-T819 PolarHBondContact O-N 3.16Å; T819-F821 HydrophobicContact CG2-CD2 3.98Å; T819-F821 HydrophobicContact CG2-CE1 4.45Å; T819-F821 HydrophobicContact CG2-CE2 3.32Å; T819-F821 HydrophobicContact CG2-CZ 3.62Å; T819-K848 HydrophobicContact CG2-CG 4.26Å; T819-L849 CarbonylContact C-O 3.57Å; T819-L849 WeakPolarHBondContact CA-O 3.3Å; T819-L850 HydrophobicContact CG2-CD2 3.87Å |
| 820 | I | 90 | Very high | 71.7 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 129.5 | 174.5 | -50 | -174.7 | 0 | 0 | 0 | 109.5 | I722 L792 I793 I794 M822 K848 L849 L851 | I722-I820 HydrophobicContact CD1-CD1 4.15Å; L792-I820 HydrophobicContact CB-CG2 4.08Å; L792-I820 HydrophobicContact CD2-CG2 4.1Å; I793-I820 VanDerWaalsContact O-CA 3.32Å; I793-I820 WeakPolarHBondContact O-CA 3.29Å; I794-I820 HydrophobicContact CB-CG1 4.4Å; I794-I820 HydrophobicContact CD1-CD1 4.24Å; I794-I820 HydrophobicContact CG1-CD1 4.05Å; I794-I820 HydrophobicContact CG1-CG1 4.05Å; I794-I820 HydrophobicContact CG1-CG2 4.18Å; I794-I820 HydrophobicContact CG2-CD1 4.42Å; I794-I820 HydrophobicContact CG2-CG1 4.16Å; I820-M822 HydrophobicContact CG2-CG 4.39Å; I820-K848 CarbonylContact O-C 3.51Å; I820-K848 WeakPolarHBondContact O-CA 3.33Å; I820-L849 HydrophobicContact CB-CB 4.24Å; I820-L849 PolarHBondContact N-O 3.11Å; I820-L849 PolarHBondContact O-N 3.18Å; I820-L851 HydrophobicContact CD1-CD1 3.65Å; I820-L851 HydrophobicContact CG1-CD1 4.17Å |
| 821 | F | 89.9 | Confident | 73.6 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 133.4 | 172.3 | -63 | -90.6 | 0 | 0 | 0 | 109.8 | L792 I793 T819 Y823 L840 E842 A845 K848 | L792-F821 VanDerWaalsContact CA-O 3.3Å; L792-F821 WeakPolarHBondContact CA-O 3.41Å; I793-F821 PolarHBondContact N-O 3.03Å; I793-F821 PolarHBondContact O-N 3.39Å; T819-F821 HydrophobicContact CG2-CD2 3.98Å; T819-F821 HydrophobicContact CG2-CE1 4.45Å; T819-F821 HydrophobicContact CG2-CE2 3.32Å; T819-F821 HydrophobicContact CG2-CZ 3.62Å; F821-Y823 HydrophobicContact CB-CE2 3.99Å; F821-L840 HydrophobicContact CD2-CD1 3.53Å; F821-L840 HydrophobicContact CE2-CD1 3.4Å; F821-L840 HydrophobicContact CG-CD1 4.46Å; F821-L840 HydrophobicContact CZ-CD1 4.26Å; F821-E842 HydrophobicContact CD1-CG 4.33Å; F821-E842 HydrophobicContact CE1-CB 4.12Å; F821-E842 VanDerWaalsContact CE1-CD 3.41Å; F821-E842 HydrophobicContact CE1-CG 3.48Å; F821-E842 VanDerWaalsContact CE1-CG 3.48Å; F821-E842 HydrophobicContact CZ-CG 3.87Å; F821-E842 VanDerWaalsContact CZ-OE1 3.24Å; F821-E842 WeakPolarHBondContact CZ-OE1 3.32Å; F821-A845 HydrophobicContact CB-CB 4.24Å; F821-A845 HydrophobicContact CD1-CB 4.15Å; F821-K848 HydrophobicContact CD1-CB 4.39Å; F821-K848 HydrophobicContact CD1-CD 4.38Å; F821-K848 HydrophobicContact CD1-CG 4.1Å; F821-K848 HydrophobicContact CE1-CB 4.44Å; F821-K848 HydrophobicContact CE1-CD 3.63Å; F821-K848 VanDerWaalsContact CE1-CE 3.41Å; F821-K848 HydrophobicContact CE1-CG 3.78Å; F821-K848 HydrophobicContact CZ-CD 4.17Å; F821-K848 VanDerWaalsContact CZ-CE 3.44Å; F821-K848 HydrophobicContact CZ-CG 4.35Å |
| 822 | M | 88.7 | Confident | 75.1 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 140.2 | -176.9 | -56.6 | -174.3 | 62.7 | 0 | 0 | 111.9 | I741 F754 L792 I820 A845 F846 A847 L849 | I741-M822 HydrophobicContact CD1-CE 3.87Å; I741-M822 HydrophobicContact CD1-SD 4.45Å; F754-M822 HydrophobicContact CE1-CE 4.48Å; F754-M822 HydrophobicContact CE1-SD 3.85Å; L792-M822 HydrophobicContact CD2-CE 4Å; L792-M822 HydrophobicContact CD2-CG 4.17Å; L792-M822 HydrophobicContact CD2-SD 4.28Å; L792-M822 HydrophobicContact CG-CE 4.22Å; L792-M822 HydrophobicContact CG-CG 4.08Å; I820-M822 HydrophobicContact CG2-CG 4.39Å; M822-A845 CarbonylContact O-C 3.54Å; M822-A845 VanDerWaalsContact O-CA 3.3Å; M822-A845 WeakPolarHBondContact O-CA 3.32Å; M822-F846 HydrophobicContact CB-CD1 4.12Å; M822-F846 HydrophobicContact CB-CE1 3.52Å; M822-F846 HydrophobicContact CB-CZ 3.84Å; M822-F846 HydrophobicContact CE-CZ 4.14Å; M822-F846 WeakPolarHBondContact O-CD1 2.95Å; M822-F846 PolarHBondContact O-N 2.94Å; M822-A847 HydrophobicContact CB-CB 4.4Å; M822-A847 PolarHBondContact N-O 2.83Å; M822-L849 HydrophobicContact CG-CD1 4.16Å; M822-L849 HydrophobicContact SD-CD1 3.78Å |
| 823 | Y | 86.6 | Confident | 76.5 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 142.2 | -178.1 | -57.4 | -87.8 | 0 | 0 | 0 | 111.4 | Y790 C791 F821 S825 C828 Q829 D841 K844 A845 | Y790-Y823 WeakPolarHBondContact CA-O 3.48Å; C791-Y823 PolarHBondContact N-O 2.7Å; C791-Y823 PolarHBondContact O-N 3.02Å; F821-Y823 HydrophobicContact CB-CE2 3.99Å; Y823-S825 PolarHBondContact O-N 3.25Å; Y823-C828 HydrophobicContact CD2-CB 4.07Å; Y823-C828 VanDerWaalsContact CD2-SG 3.6Å; Y823-C828 HydrophobicContact CE2-CB 4.21Å; Y823-Q829 HydrophobicContact CD1-CB 4.08Å; Y823-Q829 HydrophobicContact CD1-CG 3.92Å; Y823-Q829 HydrophobicContact CE1-CB 3.66Å; Y823-Q829 HydrophobicContact CE1-CG 4.02Å; Y823-Q829 PolarHBondContact OH-O 3.32Å; Y823-D841 PolarHBondContact OH-O 3.42Å; Y823-K844 HydrophobicContact CD1-CB 4.49Å; Y823-K844 WeakPolarHBondContact CD1-O 3.35Å; Y823-K844 HydrophobicContact CE1-CB 4.29Å; Y823-A845 HydrophobicContact CD1-CB 4.28Å; Y823-A845 HydrophobicContact CE1-CB 3.74Å |
| 824 | H | 81 | Confident | 77.1 | Confident | 27 Ų | 27 | 40 Ų | 40 | 13% | 0.125 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -75.5 | 39.5 | 178.3 | -73.4 | -82.7 | 0 | 0 | 0 | 113.5 | P511 Y750 Y790 F846 | P511-H824 HydrophobicContact CG-CB 4.5Å; Y750-H824 AromaticContact CE1-CE1 3.9Å; Y750-H824 AromaticContact CZ-NE2 3.94Å; Y790-H824 AromaticContact CE1-ND1 3.73Å; H824-F846 AromaticContact CD2-CD1 3.38Å; H824-F846 WeakPolarHBondContact CD2-CD1 3.36Å; H824-F846 AromaticContact CD2-CG 3.43Å; H824-F846 VanDerWaalsContact CD2-CG 3.43Å; H824-F846 WeakPolarHBondContact CD2-CG 3.33Å; H824-F846 AromaticContact CE1-CD2 3.97Å; H824-F846 AromaticContact CG-CD1 3.89Å; H824-F846 WeakPolarHBondContact NE2-CB 3.44Å; H824-F846 AromaticContact NE2-CD1 3.58Å; H824-F846 AromaticContact NE2-CD2 3.46Å; H824-F846 WeakPolarHBondContact NE2-CD2 3.31Å; H824-F846 AromaticContact NE2-CG 3.2Å; H824-F846 WeakPolarHBondContact NE2-CG 3.12Å |
| 825 | S | 83.3 | Confident | 77.6 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.014 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -168.6 | 153.5 | -175.2 | 168.1 | 0 | 0 | 0 | 0 | 109.1 | P499 Y789 C791 Y823 Q827 | P499-S825 WeakPolarHBondContact CD-OG 3.06Å; Y789-S825 CarbonylContact O-C 3.56Å; Y789-S825 WeakPolarHBondContact O-CA 3.18Å; Y789-S825 PolarHBondContact O-N 3.35Å; C791-S825 WeakPolarHBondContact CB-O 3.48Å; C791-S825 PolarHBondContact N-O 3.16Å; Y823-S825 PolarHBondContact O-N 3.25Å; S825-Q827 PolarHBondContact O-N 3.02Å; S825-Q827 PolarHBondContact OG-N 2.82Å |
| 826 | P | 84.4 | Confident | 77.9 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -68.9 | -12.5 | 169.3 | 28.2 | -29.8 | 0 | 0 | 0 | 112.9 | I497 I629 I780 C791 C828 | I497-P826 HydrophobicContact CB-CG 3.87Å; I497-P826 HydrophobicContact CG2-CG 3.97Å; I629-P826 HydrophobicContact CD1-CB 3.95Å; I629-P826 HydrophobicContact CD1-CG 4.13Å; I780-P826 HydrophobicContact CD1-CB 4.17Å; I780-P826 VanDerWaalsContact CD1-O 3.29Å; I780-P826 WeakPolarHBondContact CD1-O 3.41Å; I780-P826 HydrophobicContact CG2-CB 4.17Å; C791-P826 WeakPolarHBondContact CB-O 3.34Å; P826-C828 PolarHBondContact O-N 3.1Å |
| 827 | Q | 86.5 | Confident | 77.9 | Confident | 12 Ų | 12 | 42.3 Ų | 42.3 | 6% | 0.056 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -89.6 | 88.5 | 175.4 | -44.2 | -50.3 | -29.5 | 0 | 0 | 111.7 | I497 E498 I627 S825 Q829 | I497-Q827 VanDerWaalsContact O-CG 3.3Å; I497-Q827 WeakPolarHBondContact O-CG 3.39Å; I497-Q827 PolarHBondContact O-NE2 3.12Å; E498-Q827 HydrophobicContact CG-CG 4.1Å; I627-Q827 PolarHBondContact O-NE2 2.9Å; S825-Q827 PolarHBondContact O-N 3.02Å; S825-Q827 PolarHBondContact OG-N 2.82Å; Q827-Q829 PolarHBondContact O-NE2 2.04Å; Q827-Q829 VanDerWaalsContact O-NE2 3.1Å |
| 828 | C | 84.3 | Confident | 77.5 | Confident | 12 Ų | 12 | 39 Ų | 39 | 8% | 0.081 | 20% | 0.204 | C | C | . | . | trans | -56.5 | 141.9 | 172 | -83.5 | 0 | 0 | 0 | 0 | 112.2 | L778 C791 I793 Y823 P826 Y830 | L778-C828 HydrophobicContact CD1-CB 4.04Å; C791-C828 VanDerWaalsContact C-SG 3.55Å; C791-C828 HydrophobicContact CB-CB 4Å; C791-C828 WeakPolarHBondContact CB-SG 3.41Å; C791-C828 WeakPolarHBondContact SG-CB 3.29Å; C791-C828 PolarHBondContact SG-N 3.06Å; C791-C828 VanDerWaalsContact SG-N 3.44Å; C791-C828 CovalentContact SG-SG 2.01Å; C791-C828 PolarHBondContact SG-SG 2.9Å; I793-C828 HydrophobicContact CD1-CB 3.66Å; I793-C828 HydrophobicContact CG1-CB 4.1Å; Y823-C828 HydrophobicContact CD2-CB 4.07Å; Y823-C828 VanDerWaalsContact CD2-SG 3.6Å; Y823-C828 HydrophobicContact CE2-CB 4.21Å; P826-C828 PolarHBondContact O-N 3.1Å; C828-Y830 HydrophobicContact CB-CD1 4.16Å; C828-Y830 PolarHBondContact O-N 3.42Å | ||
| 829 | Q | 81.1 | Confident | 77 | Confident | 52 Ų | 52 | 44.5 Ų | 44.5 | 24% | 0.243 | 23% | 0.228 | C | C | . | . | trans | -94.1 | 94.6 | -176.8 | -58.2 | -68.9 | -66.5 | 0 | 0 | 110.6 | Y823 Q827 D841 K844 | Y823-Q829 HydrophobicContact CD1-CB 4.08Å; Y823-Q829 HydrophobicContact CD1-CG 3.92Å; Y823-Q829 HydrophobicContact CE1-CB 3.66Å; Y823-Q829 HydrophobicContact CE1-CG 4.02Å; Y823-Q829 PolarHBondContact OH-O 3.32Å; Q827-Q829 PolarHBondContact O-NE2 2.04Å; Q827-Q829 VanDerWaalsContact O-NE2 3.1Å; Q829-D841 HydrophobicContact CB-CB 4Å; Q829-D841 WeakPolarHBondContact O-CB 3.16Å; Q829-D841 PolarHBondContact O-N 3.36Å; Q829-K844 HydrophobicContact CB-CB 4.15Å; Q829-K844 HydrophobicContact CB-CD 4Å; Q829-K844 HydrophobicContact CG-CB 3.91Å; Q829-K844 HydrophobicContact CG-CD 3.62Å; Q829-K844 HydrophobicContact CG-CG 4.46Å; Q829-K844 VanDerWaalsContact OE1-CD 3.25Å | ||
| 830 | Y | 80.3 | Confident | 76.6 | Confident | 33 Ų | 33 | 45 Ų | 45 | 13% | 0.129 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 164.8 | 177.9 | 74.3 | -79.3 | 0 | 0 | 0 | 112.8 | R624 I766 L778 I793 C828 T832 I838 K839 | R624-Y830 PolarHBondContact NH1-O 3.43Å; I766-Y830 HydrophobicContact CD1-CE2 4.37Å; L778-Y830 HydrophobicContact CD1-CE1 4.14Å; I793-Y830 HydrophobicContact CD1-CD1 3.91Å; I793-Y830 HydrophobicContact CD1-CG 4.16Å; C828-Y830 HydrophobicContact CB-CD1 4.16Å; C828-Y830 PolarHBondContact O-N 3.42Å; Y830-T832 HydrophobicContact CD2-CG2 4.46Å; Y830-T832 HydrophobicContact CE2-CG2 4.04Å; Y830-I838 HydrophobicContact CD2-CG1 4.23Å; Y830-I838 HydrophobicContact CD2-CG2 4.12Å; Y830-I838 HydrophobicContact CE2-CG1 4.43Å; Y830-K839 CarbonylContact C-O 3.48Å; Y830-K839 WeakPolarHBondContact CA-O 3.36Å |
| 831 | E | 72.2 | Confident | 76 | Confident | 66 Ų | 66 | 47.2 Ų | 47.2 | 31% | 0.308 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 132.9 | 176 | -37.9 | -159.5 | 100.6 | 0 | 0 | 109.8 | R624 K839 | R624-E831 IonicContact CZ-OE1 3.36Å; R624-E831 IonicContact NH1-OE1 3.27Å; R624-E831 PolarHBondContact NH1-OE1 2.89Å; R624-E831 IonicContact NH2-OE1 2.71Å; R624-E831 PolarHBondContact NH2-OE1 2.92Å; E831-K839 HydrophobicContact CB-CB 4.46Å; E831-K839 PolarHBondContact N-O 3.03Å; E831-K839 PolarHBondContact O-N 3.19Å; E831-K839 IonicContact OE2-NZ 3.84Å; E831-K839 PolarHBondContact OE2-NZ 3.31Å |
| 832 | T | 66.1 | Low | 75.5 | Confident | 81 Ų | 81 | 51.5 Ų | 51.5 | 50% | 0.497 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 121.6 | 165.9 | 51.1 | 0 | 0 | 0 | 0 | 109.3 | Y830 | Y830-T832 HydrophobicContact CD2-CG2 4.46Å; Y830-T832 HydrophobicContact CE2-CG2 4.04Å |
| 833 | T | 63.5 | Low | 74.7 | Confident | 51 Ų | 51 | 55.3 Ų | 55.3 | 31% | 0.313 | 29% | 0.288 | S | S | . | . | trans | -68.1 | 166.1 | 172.2 | 61.4 | 0 | 0 | 0 | 0 | 111.6 | F835 E836 N837 | T833-F835 PolarHBondContact O-N 3.42Å; T833-E836 WeakPolarHBondContact O-CA 3.44Å; T833-E836 PolarHBondContact O-N 3.06Å; T833-N837 WeakPolarHBondContact CG2-O 3.34Å; T833-N837 PolarHBondContact N-O 3.22Å; T833-N837 WeakPolarHBondContact OG1-CB 3.45Å; T833-N837 PolarHBondContact OG1-N 3.46Å; T833-N837 VanDerWaalsContact OG1-N 3.14Å; T833-N837 PolarHBondContact OG1-O 2.88Å | ||
| 834 | P | 54.5 | Low | 74.3 | Confident | 131 Ų | 131 | 60.7 Ų | 60.7 | 85% | 0.851 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -8.4 | 174.9 | -25.7 | 36.2 | 0 | 0 | 0 | 115.7 | ||
| 835 | F | 57 | Low | 74.3 | Confident | 164 Ų | 164 | 59.6 Ų | 59.6 | 72% | 0.719 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 21.1 | 173.7 | -55.9 | -72.5 | 0 | 0 | 0 | 112.1 | T833 N837 | T833-F835 PolarHBondContact O-N 3.42Å; F835-N837 PolarHBondContact O-N 3.39Å |
| 836 | E | 62.7 | Low | 74.3 | Confident | 81 Ų | 81 | 60.2 Ų | 60.2 | 38% | 0.379 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 61.1 | 1.6 | -178.7 | -58.4 | -175.1 | 171.8 | 0 | 0 | 116.3 | I769 T833 I838 | I769-E836 HydrophobicContact CD1-CG 4.45Å; I769-E836 VanDerWaalsContact CD1-OE2 3.26Å; I769-E836 WeakPolarHBondContact CD1-OE2 3.42Å; I769-E836 VanDerWaalsContact CG1-OE2 3.26Å; I769-E836 WeakPolarHBondContact CG1-OE2 3.45Å; T833-E836 WeakPolarHBondContact O-CA 3.44Å; T833-E836 PolarHBondContact O-N 3.06Å; E836-I838 PolarHBondContact O-N 3.31Å |
| 837 | N | 66.7 | Low | 74.3 | Confident | 64 Ų | 64 | 60.2 Ų | 60.2 | 34% | 0.342 | 31% | 0.31 | S | S | . | . | trans | -66.4 | 133.1 | 173.3 | -65.8 | -18.5 | 0 | 0 | 0 | 110.6 | S770 T833 F835 | S770-N837 VanDerWaalsContact OG-CG 3.32Å; S770-N837 PolarHBondContact OG-ND2 2.88Å; S770-N837 PolarHBondContact OG-OD1 3.14Å; T833-N837 WeakPolarHBondContact CG2-O 3.34Å; T833-N837 PolarHBondContact N-O 3.22Å; T833-N837 WeakPolarHBondContact OG1-CB 3.45Å; T833-N837 PolarHBondContact OG1-N 3.46Å; T833-N837 VanDerWaalsContact OG1-N 3.14Å; T833-N837 PolarHBondContact OG1-O 2.88Å; F835-N837 PolarHBondContact O-N 3.39Å | ||
| 838 | I | 73.5 | Confident | 74.4 | Confident | 17 Ų | 17 | 61.7 Ų | 61.7 | 9% | 0.087 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 135.6 | 176.6 | -69.9 | 159.8 | 0 | 0 | 0 | 110.5 | I766 Y776 Y830 E836 L840 | I766-I838 HydrophobicContact CB-CD1 4Å; I766-I838 HydrophobicContact CD1-CD1 3.55Å; I766-I838 HydrophobicContact CG1-CD1 3.56Å; I766-I838 WeakPolarHBondContact O-CD1 3.41Å; Y776-I838 HydrophobicContact CD1-CD1 4.48Å; Y776-I838 HydrophobicContact CD1-CG2 4.37Å; Y776-I838 HydrophobicContact CD2-CB 4.19Å; Y776-I838 HydrophobicContact CD2-CD1 3.83Å; Y776-I838 HydrophobicContact CE1-CG2 4.33Å; Y776-I838 HydrophobicContact CE2-CB 4.16Å; Y776-I838 HydrophobicContact CG-CB 4.42Å; Y776-I838 HydrophobicContact CG-CD1 3.74Å; Y830-I838 HydrophobicContact CD2-CG1 4.23Å; Y830-I838 HydrophobicContact CD2-CG2 4.12Å; Y830-I838 HydrophobicContact CE2-CG1 4.43Å; E836-I838 PolarHBondContact O-N 3.31Å; I838-L840 HydrophobicContact CG2-CD2 3.79Å; I838-L840 HydrophobicContact CG2-CG 4.14Å |
| 839 | K | 77.6 | Confident | 74.6 | Confident | 120 Ų | 120 | 61.1 Ų | 61.1 | 52% | 0.522 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.2 | 167.6 | 174.8 | -168.1 | 164.2 | -151.1 | 0 | 107.7 | Y830 E831 | Y830-K839 CarbonylContact C-O 3.48Å; Y830-K839 WeakPolarHBondContact CA-O 3.36Å; E831-K839 HydrophobicContact CB-CB 4.46Å; E831-K839 PolarHBondContact N-O 3.03Å; E831-K839 PolarHBondContact O-N 3.19Å; E831-K839 IonicContact OE2-NZ 3.84Å; E831-K839 PolarHBondContact OE2-NZ 3.31Å |
| 840 | L | 78.5 | Confident | 75 | Confident | 27 Ų | 27 | 62.2 Ų | 62.2 | 14% | 0.141 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 142 | -176.5 | -61.1 | 171.3 | 0 | 0 | 0 | 111 | Y776 I793 F821 I838 E842 | Y776-L840 HydrophobicContact CE1-CD1 4.14Å; I793-L840 HydrophobicContact CB-CD2 4.25Å; I793-L840 HydrophobicContact CD1-CD2 3.52Å; I793-L840 HydrophobicContact CG1-CD2 4.47Å; I793-L840 HydrophobicContact CG2-CD1 4.33Å; I793-L840 HydrophobicContact CG2-CD2 3.92Å; F821-L840 HydrophobicContact CD2-CD1 3.53Å; F821-L840 HydrophobicContact CE2-CD1 3.4Å; F821-L840 HydrophobicContact CG-CD1 4.46Å; F821-L840 HydrophobicContact CZ-CD1 4.26Å; I838-L840 HydrophobicContact CG2-CD2 3.79Å; I838-L840 HydrophobicContact CG2-CG 4.14Å; L840-E842 PolarHBondContact O-N 2.8Å |
| 841 | D | 77.6 | Confident | 75.3 | Confident | 47 Ų | 47 | 60.9 Ų | 60.9 | 25% | 0.251 | 31% | 0.314 | S | S | . | . | trans | -88.7 | 85.3 | 168 | -171.8 | -8.3 | 0 | 0 | 0 | 109.7 | Y823 Q829 S843 K844 | Y823-D841 PolarHBondContact OH-O 3.42Å; Q829-D841 HydrophobicContact CB-CB 4Å; Q829-D841 WeakPolarHBondContact O-CB 3.16Å; Q829-D841 PolarHBondContact O-N 3.36Å; D841-S843 PolarHBondContact O-N 3.18Å; D841-S843 VanDerWaalsContact O-N 3.12Å; D841-S843 WeakPolarHBondContact OD1-CB 3.27Å; D841-S843 PolarHBondContact OD1-N 2.94Å; D841-S843 PolarHBondContact OD1-OG 3.49Å; D841-K844 PolarHBondContact O-N 3.29Å; D841-K844 VanDerWaalsContact OD2-CD 3.26Å; D841-K844 WeakPolarHBondContact OD2-CD 3.31Å; D841-K844 WeakPolarHBondContact OD2-CE 2.98Å; D841-K844 WeakPolarHBondContact OD2-CG 3.21Å | ||
| 842 | E | 78.8 | Confident | 75.8 | Confident | 90 Ų | 90 | 60.2 Ų | 60.2 | 42% | 0.421 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -19.3 | 176.1 | -55.8 | -154.9 | 175.7 | 0 | 0 | 113.1 | F821 L840 K844 K848 | F821-E842 HydrophobicContact CD1-CG 4.33Å; F821-E842 HydrophobicContact CE1-CB 4.12Å; F821-E842 VanDerWaalsContact CE1-CD 3.41Å; F821-E842 HydrophobicContact CE1-CG 3.48Å; F821-E842 VanDerWaalsContact CE1-CG 3.48Å; F821-E842 HydrophobicContact CZ-CG 3.87Å; F821-E842 VanDerWaalsContact CZ-OE1 3.24Å; F821-E842 WeakPolarHBondContact CZ-OE1 3.32Å; L840-E842 PolarHBondContact O-N 2.8Å; E842-K844 VanDerWaalsContact C-N 3.33Å; E842-K848 IonicContact OE1-NZ 2.66Å; E842-K848 PolarHBondContact OE1-NZ 3.35Å; E842-K848 IonicContact OE2-NZ 2.7Å; E842-K848 PolarHBondContact OE2-NZ 3.13Å |
| 843 | S | 72 | Confident | 76.3 | Confident | 80 Ų | 80 | 58.1 Ų | 58.1 | 56% | 0.559 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -19.6 | -175.8 | 77.4 | 0 | 0 | 0 | 0 | 113.8 | D841 | D841-S843 PolarHBondContact O-N 3.18Å; D841-S843 VanDerWaalsContact O-N 3.12Å; D841-S843 WeakPolarHBondContact OD1-CB 3.27Å; D841-S843 PolarHBondContact OD1-N 2.94Å; D841-S843 PolarHBondContact OD1-OG 3.49Å |
| 844 | K | 78.3 | Confident | 76.3 | Confident | 118 Ų | 118 | 58.1 Ų | 58.1 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -101.7 | -5.1 | 176.3 | -63 | -177.2 | -172 | -172.9 | 0 | 113.7 | Y823 Q829 D841 E842 | Y823-K844 HydrophobicContact CD1-CB 4.49Å; Y823-K844 WeakPolarHBondContact CD1-O 3.35Å; Y823-K844 HydrophobicContact CE1-CB 4.29Å; Q829-K844 HydrophobicContact CB-CB 4.15Å; Q829-K844 HydrophobicContact CB-CD 4Å; Q829-K844 HydrophobicContact CG-CB 3.91Å; Q829-K844 HydrophobicContact CG-CD 3.62Å; Q829-K844 HydrophobicContact CG-CG 4.46Å; Q829-K844 VanDerWaalsContact OE1-CD 3.25Å; D841-K844 PolarHBondContact O-N 3.29Å; D841-K844 VanDerWaalsContact OD2-CD 3.26Å; D841-K844 WeakPolarHBondContact OD2-CD 3.31Å; D841-K844 WeakPolarHBondContact OD2-CE 2.98Å; D841-K844 WeakPolarHBondContact OD2-CG 3.21Å; E842-K844 VanDerWaalsContact C-N 3.33Å |
| 845 | A | 81.3 | Confident | 76 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 3% | 0.033 | 30% | 0.296 | C | S | . | . | trans | -74.7 | 134.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109 | L660 F821 M822 Y823 | L660-A845 WeakPolarHBondContact CB-O 3.32Å; L660-A845 HydrophobicContact CD1-CB 4.04Å; L660-A845 WeakPolarHBondContact CD1-O 2.99Å; F821-A845 HydrophobicContact CB-CB 4.24Å; F821-A845 HydrophobicContact CD1-CB 4.15Å; M822-A845 CarbonylContact O-C 3.54Å; M822-A845 VanDerWaalsContact O-CA 3.3Å; M822-A845 WeakPolarHBondContact O-CA 3.32Å; Y823-A845 HydrophobicContact CD1-CB 4.28Å; Y823-A845 HydrophobicContact CE1-CB 3.74Å | ||
| 846 | F | 82.6 | Confident | 75.2 | Confident | 14 Ų | 14 | 59.3 Ų | 59.3 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -87.2 | -15.2 | 176.3 | 75.8 | -86.3 | 0 | 0 | 0 | 112.5 | L660 Y750 I753 F754 Y790 M822 H824 | L660-F846 PolarHBondContact N-O 3.1Å; Y750-F846 HydrophobicContact CD2-CD2 4.5Å; I753-F846 HydrophobicContact CG2-CE2 4.28Å; I753-F846 HydrophobicContact CG2-CZ 4.14Å; F754-F846 HydrophobicContact CE1-CE2 4.48Å; F754-F846 AromaticContact CE2-CE2 3.98Å; F754-F846 HydrophobicContact CE2-CE2 3.98Å; F754-F846 HydrophobicContact CZ-CD2 4.17Å; F754-F846 AromaticContact CZ-CE2 3.52Å; F754-F846 HydrophobicContact CZ-CE2 3.52Å; F754-F846 HydrophobicContact CZ-CZ 4.34Å; Y790-F846 AromaticContact CD1-CE1 3.96Å; Y790-F846 HydrophobicContact CD1-CE1 3.96Å; Y790-F846 AromaticContact CD1-CZ 3.99Å; Y790-F846 HydrophobicContact CD1-CZ 3.99Å; Y790-F846 HydrophobicContact CE1-CE1 4.44Å; Y790-F846 HydrophobicContact CE1-CZ 4.22Å; M822-F846 HydrophobicContact CB-CD1 4.12Å; M822-F846 HydrophobicContact CB-CE1 3.52Å; M822-F846 HydrophobicContact CB-CZ 3.84Å; M822-F846 HydrophobicContact CE-CZ 4.14Å; M822-F846 WeakPolarHBondContact O-CD1 2.95Å; M822-F846 PolarHBondContact O-N 2.94Å; H824-F846 AromaticContact CD2-CD1 3.38Å; H824-F846 WeakPolarHBondContact CD2-CD1 3.36Å; H824-F846 AromaticContact CD2-CG 3.43Å; H824-F846 VanDerWaalsContact CD2-CG 3.43Å; H824-F846 WeakPolarHBondContact CD2-CG 3.33Å; H824-F846 AromaticContact CE1-CD2 3.97Å; H824-F846 AromaticContact CG-CD1 3.89Å; H824-F846 WeakPolarHBondContact NE2-CB 3.44Å; H824-F846 AromaticContact NE2-CD1 3.58Å; H824-F846 AromaticContact NE2-CD2 3.46Å; H824-F846 WeakPolarHBondContact NE2-CD2 3.31Å; H824-F846 AromaticContact NE2-CG 3.2Å; H824-F846 WeakPolarHBondContact NE2-CG 3.12Å |
| 847 | A | 85.3 | Confident | 73.6 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 149.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L657 F658 F754 M822 L849 | L657-A847 HydrophobicContact CD1-CB 3.88Å; F658-A847 VanDerWaalsContact O-CA 3.3Å; F658-A847 WeakPolarHBondContact O-CA 3.5Å; F754-A847 HydrophobicContact CE1-CB 4.07Å; F754-A847 HydrophobicContact CZ-CB 3.58Å; M822-A847 HydrophobicContact CB-CB 4.4Å; M822-A847 PolarHBondContact N-O 2.83Å; A847-L849 HydrophobicContact CB-CD1 4.36Å |
| 848 | K | 89 | Confident | 71.7 | Confident | 43 Ų | 43 | 68.1 Ų | 68.1 | 19% | 0.187 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 125.9 | 174.4 | -173.5 | 175.6 | -165.8 | 167.1 | 0 | 108.7 | F658 L660 T819 I820 F821 E842 | F658-K848 PolarHBondContact N-O 2.97Å; F658-K848 PolarHBondContact O-N 2.95Å; L660-K848 HydrophobicContact CD1-CB 4.07Å; L660-K848 HydrophobicContact CD2-CB 4.41Å; L660-K848 HydrophobicContact CG-CB 4.38Å; T819-K848 HydrophobicContact CG2-CG 4.26Å; I820-K848 CarbonylContact O-C 3.51Å; I820-K848 WeakPolarHBondContact O-CA 3.33Å; F821-K848 HydrophobicContact CD1-CB 4.39Å; F821-K848 HydrophobicContact CD1-CD 4.38Å; F821-K848 HydrophobicContact CD1-CG 4.1Å; F821-K848 HydrophobicContact CE1-CB 4.44Å; F821-K848 HydrophobicContact CE1-CD 3.63Å; F821-K848 VanDerWaalsContact CE1-CE 3.41Å; F821-K848 HydrophobicContact CE1-CG 3.78Å; F821-K848 HydrophobicContact CZ-CD 4.17Å; F821-K848 VanDerWaalsContact CZ-CE 3.44Å; F821-K848 HydrophobicContact CZ-CG 4.35Å; E842-K848 IonicContact OE1-NZ 2.66Å; E842-K848 PolarHBondContact OE1-NZ 3.35Å; E842-K848 IonicContact OE2-NZ 2.7Å; E842-K848 PolarHBondContact OE2-NZ 3.13Å |
| 849 | L | 88.5 | Confident | 69.5 | Low | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 131.6 | 176.6 | -65 | 73.6 | 0 | 0 | 0 | 109 | K656 L657 V720 I722 T819 I820 M822 A847 L851 | K656-L849 WeakPolarHBondContact O-CA 3.38Å; L657-L849 HydrophobicContact CD1-CD1 3.68Å; L657-L849 HydrophobicContact CD1-CG 3.83Å; V720-L849 HydrophobicContact CG1-CD2 4.08Å; V720-L849 HydrophobicContact CG1-CG 4.36Å; V720-L849 HydrophobicContact CG2-CD2 4.03Å; I722-L849 HydrophobicContact CD1-CD2 3.54Å; I722-L849 HydrophobicContact CG1-CD2 4.33Å; T819-L849 CarbonylContact C-O 3.57Å; T819-L849 WeakPolarHBondContact CA-O 3.3Å; I820-L849 HydrophobicContact CB-CB 4.24Å; I820-L849 PolarHBondContact N-O 3.11Å; I820-L849 PolarHBondContact O-N 3.18Å; M822-L849 HydrophobicContact CG-CD1 4.16Å; M822-L849 HydrophobicContact SD-CD1 3.78Å; A847-L849 HydrophobicContact CB-CD1 4.36Å; L849-L851 HydrophobicContact CB-CD1 4.18Å; L849-L851 HydrophobicContact CB-CD2 4.16Å; L849-L851 HydrophobicContact CB-CG 4.04Å; L849-L851 HydrophobicContact CD2-CD1 4.3Å; L849-L851 HydrophobicContact CD2-CD2 4.47Å |
| 850 | L | 88.1 | Confident | 67 | Low | 76 Ų | 76 | 76.9 Ų | 76.9 | 40% | 0.398 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 110.6 | 171.8 | -61.5 | -179.3 | 0 | 0 | 0 | 108.1 | G655 K656 F658 T819 | G655-L850 CarbonylContact C-O 3.57Å; G655-L850 WeakPolarHBondContact CA-O 3.16Å; K656-L850 PolarHBondContact N-O 2.68Å; K656-L850 PolarHBondContact O-N 2.87Å; F658-L850 HydrophobicContact CE2-CD1 3.83Å; F658-L850 HydrophobicContact CE2-CG 4.12Å; F658-L850 HydrophobicContact CZ-CD1 4.38Å; T819-L850 HydrophobicContact CG2-CD2 3.87Å |
| 851 | L | 87.2 | Confident | 64.7 | Low | 4 Ų | 4 | 81.4 Ų | 81.4 | 2% | 0.021 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 151.3 | -168 | -49.7 | 171.5 | 0 | 0 | 0 | 111.9 | L653 T654 V720 I722 Y818 I820 L849 | L653-L851 HydrophobicContact CB-CB 4.07Å; L653-L851 HydrophobicContact CB-CD1 3.88Å; L653-L851 HydrophobicContact CB-CG 4.49Å; L653-L851 HydrophobicContact CD1-CD1 4.09Å; T654-L851 WeakPolarHBondContact O-CA 3.41Å; V720-L851 HydrophobicContact CG1-CD2 3.65Å; I722-L851 HydrophobicContact CB-CD1 4.41Å; I722-L851 HydrophobicContact CD1-CD1 4.31Å; Y818-L851 PolarHBondContact N-O 3.13Å; Y818-L851 PolarHBondContact O-N 3.27Å; I820-L851 HydrophobicContact CD1-CD1 3.65Å; I820-L851 HydrophobicContact CG1-CD1 4.17Å; L849-L851 HydrophobicContact CB-CD1 4.18Å; L849-L851 HydrophobicContact CB-CD2 4.16Å; L849-L851 HydrophobicContact CB-CG 4.04Å; L849-L851 HydrophobicContact CD2-CD1 4.3Å; L849-L851 HydrophobicContact CD2-CD2 4.47Å |
| 852 | T | 83.7 | Confident | 62.4 | Low | 52 Ų | 52 | 84.9 Ų | 84.9 | 32% | 0.319 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 153.5 | 169.3 | 59.3 | 0 | 0 | 0 | 0 | 110.7 | L653 T654 N817 | L653-T852 WeakPolarHBondContact CA-O 3.38Å; T654-T852 PolarHBondContact N-O 3.45Å; T654-T852 PolarHBondContact O-N 3.26Å; N817-T852 WeakPolarHBondContact OD1-CG2 3.38Å |
| 853 | S | 76.3 | Confident | 60 | Low | 38 Ų | 38 | 88.1 Ų | 88.1 | 27% | 0.266 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 121.3 | 172.7 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | ||
| 854 | T | 63.1 | Low | 57.8 | Low | 50 Ų | 50 | 91.5 Ų | 91.5 | 31% | 0.307 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -92.1 | 126.5 | 171.8 | 52.7 | 0 | 0 | 0 | 0 | 111.4 | R652 T654 | R652-T854 PolarHBondContact O-N 2.85Å; R652-T854 VanDerWaalsContact O-N 3.13Å; R652-T854 PolarHBondContact O-OG1 2.83Å; T654-T854 HydrophobicContact CG2-CG2 4.16Å; T654-T854 WeakPolarHBondContact OG1-CG2 3.45Å |
| 855 | Q | 48.9 | Very low | 55.4 | Low | 146 Ų | 146 | 93.4 Ų | 93.4 | 68% | 0.682 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 134.4 | 157.8 | -72.2 | -171.2 | -20.9 | 0 | 0 | 108.3 | Q857 | Q855-Q857 PolarHBondContact O-N 2.87Å; Q855-Q857 VanDerWaalsContact O-N 3.16Å |
| 856 | R | 40.1 | Very low | 52.7 | Low | 174 Ų | 174 | 103.2 Ų | 103.2 | 66% | 0.657 | 53% | 0.531 | S | S | * | . | trans | -63.7 | 115.8 | 164.9 | -75.9 | -173.3 | -179.5 | 165.5 | 3.8 | 107.9 | ||||
| 857 | Q | 29.1 | Very low | 50 | Low | 170 Ų | 170 | 108.3 Ų | 108.3 | 79% | 0.794 | 57% | 0.565 | S | S | * | * | trans | -67.4 | 135.8 | 162.1 | -69.1 | -175.3 | -13.5 | 0 | 0 | 108.1 | Q855 E859 | Q855-Q857 PolarHBondContact O-N 2.87Å; Q855-Q857 VanDerWaalsContact O-N 3.16Å; Q857-E859 PolarHBondContact O-N 3.41Å; Q857-E859 VanDerWaalsContact O-N 3.12Å | ||
| 858 | N | 27 | Very low | 47.1 | Very low | 160 Ų | 160 | 116.8 Ų | 116.8 | 86% | 0.856 | 61% | 0.607 | S | S | * | * | trans | -79.6 | 91.6 | 173.9 | -78.1 | -19.6 | 0 | 0 | 0 | 108.6 | N860 | N858-N860 PolarHBondContact O-N 3.03Š| ||
| 859 | E | 26.9 | Very low | 44 | Very low | 175 Ų | 175 | 123.2 Ų | 123.2 | 82% | 0.818 | 64% | 0.64 | S | S | * | * | trans | -65.1 | 102.5 | 172.7 | -71.9 | 175.1 | -172.4 | 0 | 0 | 110.6 | Q857 | Q857-E859 PolarHBondContact O-N 3.41Å; Q857-E859 VanDerWaalsContact O-N 3.12Å | ||
| 860 | N | 25.8 | Very low | 40.9 | Very low | 147 Ų | 147 | 130 Ų | 130 | 79% | 0.786 | 68% | 0.675 | S | S | * | * | trans | 31.3 | 86.3 | 155.8 | -65.8 | -28.7 | 0 | 0 | 0 | 118.3 | N858 | N858-N860 PolarHBondContact O-N 3.03Š| ||
| 861 | S | 29.8 | Very low | 37.9 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 85% | 0.846 | 69% | 0.689 | S | S | * | * | trans | -103.2 | 70.8 | 153.2 | 59.1 | 0 | 0 | 0 | 0 | 111.3 | N863 | S861-N863 VanDerWaalsContact C-N 3.32Å; S861-N863 PolarHBondContact O-N 3.27Å | ||
| 862 | T | 27.7 | Very low | 34.9 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 74% | 0.742 | 73% | 0.728 | S | S | * | * | trans | -70.1 | 83.5 | 170.6 | 33.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 863 | N | 29.3 | Very low | 32 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | trans | -160.3 | 150.2 | 150.2 | -106.8 | -44.5 | 0 | 0 | 0 | 113.4 | S861 N865 | S861-N863 VanDerWaalsContact C-N 3.32Å; S861-N863 PolarHBondContact O-N 3.27Å; N863-N865 PolarHBondContact O-N 3.34Å | ||
| 864 | N | 25.5 | Very low | 29.5 | Very low | 151 Ų | 151 | 145.3 Ų | 145.3 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | trans | -74.4 | 117.2 | -176.8 | -70.1 | -52.7 | 0 | 0 | 0 | 111.8 | ||||
| 865 | N | 28.7 | Very low | 27.8 | Very low | 158 Ų | 158 | 151.9 Ų | 151.9 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | -173.3 | 121.1 | 129.2 | -92.9 | -29.9 | 0 | 0 | 0 | 110.8 | N863 | N863-N865 PolarHBondContact O-N 3.34Š| |||
| 866 | K | 24.8 | Very low | 26.7 | Very low | 210 Ų | 210 | 149 Ų | 149 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | trans | -75.2 | 135.8 | 169.6 | -73 | -179 | 177 | 178.1 | 0 | 109.6 | ||||
| 867 | P | 25.6 | Very low | 26.2 | Very low | 121 Ų | 121 | 144.8 Ų | 144.8 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | -107.9 | 170.3 | 115.4 | 30.9 | -34.3 | 0 | 0 | 0 | 112 | M869 | P867-M869 PolarHBondContact O-N 3.07Š| |||
| 868 | M | 23.9 | Very low | 26.1 | Very low | 178 Ų | 178 | 145.4 Ų | 145.4 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | trans | -84.5 | 102.2 | -165.2 | -173.2 | 169.7 | 69.4 | 0 | 0 | 112.6 | ||||
| 869 | M | 24.1 | Very low | 26.2 | Very low | 177 Ų | 177 | 142.3 Ų | 142.3 | 87% | 0.872 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 142.1 | 160.5 | -74 | -164.3 | 75.1 | 0 | 0 | 110.8 | P867 | P867-M869 PolarHBondContact O-N 3.07Š|
| 870 | L | 23.6 | Very low | 26.2 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 155.2 | 170.9 | -82.9 | 78.5 | 0 | 0 | 0 | 110.9 | ||
| 871 | P | 24.7 | Very low | 26.3 | Very low | 105 Ų | 105 | 134.3 Ų | 134.3 | 68% | 0.682 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 149.7 | 175.7 | 27 | -35.7 | 0 | 0 | 0 | 111.7 | L873 | P871-L873 PolarHBondContact O-N 3.22Š|
| 872 | P | 24.1 | Very low | 26.1 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 84% | 0.838 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 118.8 | 179 | 27.2 | -33.9 | 0 | 0 | 0 | 110.5 | ||
| 873 | L | 24 | Very low | 25.8 | Very low | 137 Ų | 137 | 140 Ų | 140 | 72% | 0.717 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 139 | 168.4 | -87 | 83.2 | 0 | 0 | 0 | 109.8 | P871 R875 | P871-L873 PolarHBondContact O-N 3.22Å; L873-R875 PolarHBondContact O-N 2.94Å |
| 874 | N | 23.7 | Very low | 25.6 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 65% | 0.647 | 72% | 0.721 | S | S | * | * | trans | -49.7 | 109.5 | 175.4 | -89.2 | -43.4 | 0 | 0 | 0 | 111.9 | S876 Y878 | N874-S876 PolarHBondContact O-N 3.19Å; N874-Y878 WeakPolarHBondContact O-CE2 3.48Å | ||
| 875 | R | 26.7 | Very low | 25.5 | Very low | 188 Ų | 188 | 138.6 Ų | 138.6 | 71% | 0.709 | 72% | 0.717 | S | S | * | * | trans | -95.6 | 67.1 | 175 | -71.6 | 179.5 | 173.9 | -143.5 | -8.7 | 111.5 | Q650 L873 | Q650-R875 VanDerWaalsContact OE1-CZ 3.23Å; L873-R875 PolarHBondContact O-N 2.94Å | ||
| 876 | S | 25.5 | Very low | 25.2 | Very low | 84 Ų | 84 | 141.5 Ų | 141.5 | 59% | 0.587 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -73.1 | 172.9 | 144.8 | 53.8 | 0 | 0 | 0 | 0 | 109.2 | N874 Y878 | N874-S876 PolarHBondContact O-N 3.19Å; S876-Y878 PolarHBondContact O-N 2.87Å |
| 877 | F | 30.7 | Very low | 25.1 | Very low | 86 Ų | 86 | 137.3 Ų | 137.3 | 38% | 0.377 | 71% | 0.711 | S | S | . | * | trans | -58.7 | 100.2 | 173.2 | -91.3 | -108.3 | 0 | 0 | 0 | 111.1 | I651 Q816 Y818 L879 | I651-F877 HydrophobicContact CD1-CD2 4.48Å; I651-F877 HydrophobicContact CD1-CE1 4.1Å; I651-F877 HydrophobicContact CD1-CE2 3.48Å; I651-F877 VanDerWaalsContact CD1-CE2 3.48Å; I651-F877 HydrophobicContact CD1-CZ 3.26Å; Q816-F877 VanDerWaalsContact OE1-CE2 3.23Å; Y818-F877 HydrophobicContact CE1-CZ 4.21Å; Y818-F877 WeakPolarHBondContact OH-CE2 3.44Å; Y818-F877 VanDerWaalsContact OH-CZ 3.32Å; Y818-F877 WeakPolarHBondContact OH-CZ 3.44Å; F877-L879 PolarHBondContact O-N 3.1Å | ||
| 878 | Y | 27.1 | Very low | 25 | Very low | 184 Ų | 184 | 136.1 Ų | 136.1 | 72% | 0.722 | 70% | 0.701 | S | S | * | * | trans | -75.7 | 76.7 | 155.5 | -84.4 | -84.3 | 0 | 0 | 0 | 108.8 | N874 S876 | N874-Y878 WeakPolarHBondContact O-CE2 3.48Å; S876-Y878 PolarHBondContact O-N 2.87Å | ||
| 879 | L | 27.8 | Very low | 24.9 | Very low | 95 Ų | 95 | 135.2 Ų | 135.2 | 50% | 0.497 | 70% | 0.695 | S | S | . | * | trans | -44.6 | 143.3 | 142.1 | -78.3 | 161 | 0 | 0 | 0 | 108.3 | F877 S881 | F877-L879 PolarHBondContact O-N 3.1Å; L879-S881 WeakPolarHBondContact CB-OG 3.33Å; L879-S881 PolarHBondContact O-N 3.14Å | ||
| 880 | S | 28.2 | Very low | 24.9 | Very low | 73 Ų | 73 | 134.1 Ų | 134.1 | 51% | 0.51 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -71.2 | 31.3 | 164.3 | 67.3 | 0 | 0 | 0 | 0 | 112.2 | N578 N882 | N578-S880 PolarHBondContact ND2-OG 2.78Å; S880-N882 PolarHBondContact O-N 3.33Å |
| 881 | S | 26.7 | Very low | 24.8 | Very low | 80 Ų | 80 | 136.7 Ų | 136.7 | 56% | 0.559 | 69% | 0.689 | S | S | * | * | trans | -79.4 | 90.4 | 171.8 | 60.1 | 0 | 0 | 0 | 0 | 108.4 | L879 K883 | L879-S881 WeakPolarHBondContact CB-OG 3.33Å; L879-S881 PolarHBondContact O-N 3.14Å; S881-K883 PolarHBondContact O-N 3.45Å; S881-K883 VanDerWaalsContact O-N 3.13Å | ||
| 882 | N | 26.3 | Very low | 24.8 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 79% | 0.786 | 69% | 0.688 | S | S | * | * | trans | -55.5 | 120.1 | 174.1 | -92.6 | -27.8 | 0 | 0 | 0 | 110.1 | S880 L884 | S880-N882 PolarHBondContact O-N 3.33Å; N882-L884 PolarHBondContact O-N 2.92Å | ||
| 883 | K | 21.7 | Very low | 24.7 | Very low | 214 Ų | 214 | 137.2 Ų | 137.2 | 93% | 0.93 | 69% | 0.688 | S | S | * | * | trans | -69.8 | 79.3 | 168.9 | -82.6 | -176.5 | 174.1 | 175.4 | 0 | 109.9 | S881 | S881-K883 PolarHBondContact O-N 3.45Å; S881-K883 VanDerWaalsContact O-N 3.13Å | ||
| 884 | L | 24 | Very low | 24.7 | Very low | 140 Ų | 140 | 137.7 Ų | 137.7 | 73% | 0.733 | 69% | 0.69 | S | S | * | * | trans | -126.4 | 99.3 | 164.3 | -89.2 | 168.8 | 0 | 0 | 0 | 110.6 | N882 | N882-L884 PolarHBondContact O-N 2.92Š| ||
| 885 | I | 23.8 | Very low | 24.7 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 72% | 0.723 | 70% | 0.698 | S | S | * | * | trans | 68 | 104.5 | 152 | -56.8 | 168.7 | 0 | 0 | 0 | 115.4 | ||||
| 886 | R | 21.4 | Very low | 24.6 | Very low | 218 Ų | 218 | 139.7 Ų | 139.7 | 82% | 0.823 | 70% | 0.703 | S | S | * | * | trans | -55 | 129.9 | 147.1 | -74 | 177.4 | 173.4 | 171.8 | -3.4 | 107.4 | T888 | R886-T888 PolarHBondContact O-N 3.28Š| ||
| 887 | P | 22.8 | Very low | 24.8 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 80% | 0.799 | 72% | 0.716 | S | S | * | * | trans | -71.6 | 74.8 | 165.2 | 30.3 | -33.6 | 0 | 0 | 0 | 109.5 | Q889 | P887-Q889 PolarHBondContact O-N 3.45Š| ||
| 888 | T | 24 | Very low | 24.6 | Very low | 95 Ų | 95 | 146.8 Ų | 146.8 | 58% | 0.583 | 73% | 0.731 | S | S | * | * | trans | -56.7 | 123.3 | 160.3 | 42.8 | 0 | 0 | 0 | 0 | 107.6 | R886 Q890 | R886-T888 PolarHBondContact O-N 3.28Å; T888-Q890 PolarHBondContact O-N 3.42Å | ||
| 889 | Q | 22.8 | Very low | 24.8 | Very low | 160 Ų | 160 | 146 Ų | 146 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | trans | -70 | 76 | 177.8 | -67.1 | -179 | -5.2 | 0 | 0 | 110.5 | P887 Y891 | P887-Q889 PolarHBondContact O-N 3.45Å; Q889-Y891 HydrophobicContact CB-CE2 4.33Å; Q889-Y891 PolarHBondContact O-N 2.98Å | ||
| 890 | Q | 23.1 | Very low | 24.8 | Very low | 154 Ų | 154 | 149.9 Ų | 149.9 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | trans | -76.5 | 102.1 | 167 | -76.2 | -171.1 | -32.1 | 0 | 0 | 108.5 | T888 T892 | T888-Q890 PolarHBondContact O-N 3.42Å; Q890-T892 PolarHBondContact O-N 3.1Å | ||
| 891 | Y | 21.2 | Very low | 24.9 | Very low | 196 Ų | 196 | 150.8 Ų | 150.8 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | -68.7 | 94.8 | 165.9 | -75.2 | -100.3 | 0 | 0 | 0 | 108.8 | Q889 | Q889-Y891 HydrophobicContact CB-CE2 4.33Å; Q889-Y891 PolarHBondContact O-N 2.98Å | ||
| 892 | T | 24.7 | Very low | 25 | Very low | 110 Ų | 110 | 154.4 Ų | 154.4 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | trans | -96.8 | 82.3 | 171.9 | 40.1 | 0 | 0 | 0 | 0 | 110.7 | Q890 I894 | Q890-T892 PolarHBondContact O-N 3.1Å; T892-I894 PolarHBondContact O-N 3.38Å; T892-I894 VanDerWaalsContact O-N 3.16Å | ||
| 893 | T | 21.8 | Very low | 25.1 | Very low | 135 Ų | 135 | 156.8 Ų | 156.8 | 83% | 0.828 | 77% | 0.767 | S | S | * | * | trans | -67.4 | 104.3 | 163.6 | 45.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 894 | I | 24.5 | Very low | 25.4 | Very low | 147 Ų | 147 | 154.6 Ų | 154.6 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | trans | -127.9 | 146 | 170.5 | -59.9 | -177 | 0 | 0 | 0 | 108.7 | T892 | T892-I894 PolarHBondContact O-N 3.38Å; T892-I894 VanDerWaalsContact O-N 3.16Å | ||
| 895 | H | 24.8 | Very low | 25.5 | Very low | 179 Ų | 179 | 156.3 Ų | 156.3 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | trans | -63.1 | 150.9 | -157.8 | -69.3 | -102.7 | 0 | 0 | 0 | 116.2 | ||||
| 896 | H | 23.4 | Very low | 25.4 | Very low | 173 Ų | 173 | 157.6 Ų | 157.6 | 80% | 0.801 | 77% | 0.773 | S | S | * | * | trans | -71.4 | 132.9 | 153.4 | -78.7 | 1.6 | 0 | 0 | 0 | 110.4 | ||||
| 897 | H | 29.2 | Very low | 25.4 | Very low | 188 Ų | 188 | 153.5 Ų | 153.5 | 87% | 0.87 | 77% | 0.772 | S | S | * | * | trans | -139.2 | 143.2 | 147.4 | -102.9 | 21.1 | 0 | 0 | 0 | 108.5 | ||||
| 898 | D | 26.2 | Very low | 25.6 | Very low | 131 Ų | 131 | 154.4 Ų | 154.4 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | -88.9 | 143.9 | -167 | -57.1 | -87.9 | 0 | 0 | 0 | 112.8 | ||||
| 899 | H | 31.3 | Very low | 25.6 | Very low | 168 Ų | 168 | 161.2 Ų | 161.2 | 78% | 0.778 | 79% | 0.79 | S | S | * | * | 179.7 | 118.3 | 110 | -92.2 | -20.5 | 0 | 0 | 0 | 114.1 | |||||
| 900 | H | 29.5 | Very low | 25.5 | Very low | 176 Ų | 176 | 162.6 Ų | 162.6 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | trans | 58.5 | 153.6 | 142.9 | -77.2 | -40.8 | 0 | 0 | 0 | 122.9 | ||||
| 901 | P | 29.7 | Very low | 25.5 | Very low | 92 Ų | 92 | 165.4 Ų | 165.4 | 60% | 0.597 | 80% | 0.804 | S | S | * | * | trans | -139.8 | -163.1 | -141 | 29.3 | -1.6 | 0 | 0 | 0 | 115.5 | ||||
| 902 | H | 28.1 | Very low | 25.5 | Very low | 156 Ų | 156 | 160.3 Ų | 160.3 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | 83.6 | 92.7 | 162.2 | -57 | -64.3 | 0 | 0 | 0 | 119.3 | ||||
| 903 | Q | 28 | Very low | 25.4 | Very low | 196 Ų | 196 | 162.5 Ų | 162.5 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | -127.8 | 148.1 | 109.8 | -76.7 | -171.7 | -17.1 | 0 | 0 | 109.3 | |||||
| 904 | Q | 29.4 | Very low | 25.5 | Very low | 169 Ų | 169 | 167.8 Ų | 167.8 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -87.3 | 123.8 | -176.3 | -74.1 | 162.5 | -48.7 | 0 | 0 | 109.7 | ||||
| 905 | Q | 24.9 | Very low | 25.3 | Very low | 176 Ų | 176 | 169.9 Ų | 169.9 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | 68.5 | 104.3 | 73.9 | -75.5 | -167.4 | -11.2 | 0 | 0 | 114.8 | |||||
| 906 | N | 22.9 | Very low | 25.2 | Very low | 167 Ų | 167 | 169 Ų | 169 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | trans | -150.8 | 73.2 | 139.3 | -123.5 | -9.8 | 0 | 0 | 0 | 110.4 | ||||
| 907 | V | 21.8 | Very low | 25.2 | Very low | 133 Ų | 133 | 166.4 Ų | 166.4 | 81% | 0.806 | 82% | 0.82 | S | S | * | * | trans | -140.7 | 105.2 | 172.6 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 908 | T | 26.9 | Very low | 25 | Very low | 141 Ų | 141 | 167 Ų | 167 | 87% | 0.865 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 121.5 | 174 | 40.7 | 0 | 0 | 0 | 0 | 110.8 | ||
| 909 | R | 23.3 | Very low | 25.1 | Very low | 239 Ų | 239 | 166.5 Ų | 166.5 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 147.9 | -176.2 | -74.9 | 175.8 | 164.8 | 166.8 | -6.8 | 113.3 | ||
| 910 | F | 20.8 | Very low | 24.9 | Very low | 188 Ų | 188 | 165.8 Ų | 165.8 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 148.4 | 159 | -80.6 | -97.4 | 0 | 0 | 0 | 112.5 | ||
| 911 | K | 22.8 | Very low | 24.7 | Very low | 213 Ų | 213 | 166.7 Ų | 166.7 | 93% | 0.926 | 83% | 0.826 | S | S | * | * | trans | -139.9 | 135 | 151.4 | -97.2 | -172.5 | 175.5 | 180 | 0 | 108.9 | ||||
| 912 | A | 21.9 | Very low | 24.6 | Very low | 90 Ų | 90 | 171.4 Ų | 171.4 | 74% | 0.744 | 84% | 0.837 | S | S | * | * | trans | -132.4 | 165.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 913 | L | 22.2 | Very low | 24.5 | Very low | 156 Ų | 156 | 169.4 Ų | 169.4 | 82% | 0.817 | 84% | 0.836 | S | S | * | * | trans | 65.6 | 113.8 | 170.1 | -63.9 | 167.2 | 0 | 0 | 0 | 118.2 | ||||
| 914 | R | 23.4 | Very low | 24.3 | Very low | 245 Ų | 245 | 170.1 Ų | 170.1 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | -150.7 | 133 | 111 | -110.2 | 179.8 | -175 | -176.8 | 1 | 110.8 | |||||
| 915 | F | 20.9 | Very low | 24 | Very low | 191 Ų | 191 | 167.2 Ų | 167.2 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | trans | -89.5 | 171.6 | 166.7 | -107.8 | -90.4 | 0 | 0 | 0 | 110.5 | ||||
| 916 | L | 22.2 | Very low | 23.9 | Very low | 162 Ų | 162 | 167.3 Ų | 167.3 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | trans | 84.7 | 145.8 | 174.4 | -58.7 | 171.1 | 0 | 0 | 0 | 117.9 | ||||
| 917 | S | 23.6 | Very low | 23.9 | Very low | 117 Ų | 117 | 168.8 Ų | 168.8 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | 77.1 | 99.9 | 168.8 | 65.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 918 | K | 24.6 | Very low | 23.8 | Very low | 200 Ų | 200 | 168.4 Ų | 168.4 | 87% | 0.87 | 82% | 0.823 | S | S | * | * | -60.1 | 155.6 | 128.8 | -79.3 | -179 | 179.3 | 177.6 | 0 | 107.9 | |||||
| 919 | P | 28.3 | Very low | 23.7 | Very low | 122 Ų | 122 | 169.4 Ų | 169.4 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | cis | -145.9 | 174.3 | 36.8 | 41.4 | -21.3 | 0 | 0 | 0 | 119.2 | ||||
| 920 | I | 28.2 | Very low | 23.8 | Very low | 153 Ų | 153 | 164 Ų | 164 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -49.2 | 145.2 | 167.3 | -60.5 | 147 | 0 | 0 | 0 | 113.9 | ||||
| 921 | K | 25.1 | Very low | 24.1 | Very low | 194 Ų | 194 | 161.6 Ų | 161.6 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -172.5 | 127.7 | 134.8 | -111.4 | 170.7 | -174.5 | -179.8 | 0 | 116.4 | ||||
| 922 | K | 27.4 | Very low | 24.1 | Very low | 192 Ų | 192 | 158 Ų | 158 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | 170.3 | 143.1 | 131.6 | -92.3 | 177.6 | -179.9 | 175.2 | 0 | 107.6 | ||||
| 923 | T | 26.8 | Very low | 24.3 | Very low | 114 Ų | 114 | 160.6 Ų | 160.6 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | S | Bend | cis | -152.6 | 158.9 | 3.3 | -3 | 0 | 0 | 0 | 0 | 107.1 | ||
| 924 | R | 23.1 | Very low | 24.5 | Very low | 210 Ų | 210 | 159.4 Ų | 159.4 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | cis | -92.7 | -147.7 | 1 | -78.8 | 98.9 | 178.6 | -153 | -2.7 | 109.9 | ||||
| 925 | S | 23.6 | Very low | 24.7 | Very low | 109 Ų | 109 | 155.3 Ų | 155.3 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | cis | -148 | 175.2 | 7.5 | -61 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 926 | F | 21.7 | Very low | 24.9 | Very low | 178 Ų | 178 | 151 Ų | 151 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | -76.7 | 158.3 | -177.7 | -53 | -86.3 | 0 | 0 | 0 | 111.7 | ||||
| 927 | F | 22.9 | Very low | 25.2 | Very low | 198 Ų | 198 | 151.5 Ų | 151.5 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | cis | -129 | 170.2 | 20.4 | -85.7 | -100.6 | 0 | 0 | 0 | 114.2 | ||||
| 928 | V | 20.8 | Very low | 25.3 | Very low | 125 Ų | 125 | 150.4 Ų | 150.4 | 76% | 0.758 | 77% | 0.772 | S | S | * | * | trans | -148.9 | 129.6 | 174.9 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 929 | I | 25.3 | Very low | 25.5 | Very low | 161 Ų | 161 | 146.1 Ų | 146.1 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | trans | -150.9 | 113.3 | 150.1 | -37.7 | -179.7 | 0 | 0 | 0 | 104.1 | ||||
| 930 | N | 23.7 | Very low | 25.5 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 67% | 0.674 | 76% | 0.764 | S | S | * | * | 51.6 | 144.2 | 74.5 | -88.4 | 25.2 | 0 | 0 | 0 | 114.7 | |||||
| 931 | N | 28 | Very low | 25.5 | Very low | 137 Ų | 137 | 145.1 Ų | 145.1 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | cis | -151.5 | 171.9 | 4.6 | -142.5 | 3.5 | 0 | 0 | 0 | 111.2 | ||||
| 932 | N | 23.5 | Very low | 25.5 | Very low | 139 Ų | 139 | 146.3 Ų | 146.3 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | -84.9 | 148.2 | 178.2 | -58.5 | -17.3 | 0 | 0 | 0 | 113.6 | ||||
| 933 | N | 26.1 | Very low | 25.6 | Very low | 143 Ų | 143 | 141.6 Ų | 141.6 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | 165.5 | 142 | 112.7 | -85.5 | -10 | 0 | 0 | 0 | 114.6 | |||||
| 934 | N | 25.3 | Very low | 25.7 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | 57.9 | 152.5 | 149.5 | -75.4 | 29.6 | 0 | 0 | 0 | 124.8 | ||||
| 935 | E | 28.4 | Very low | 26 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | 67.1 | 89.9 | 149.3 | -76.4 | 151.3 | -119.4 | 0 | 0 | 121.1 | ||||
| 936 | S | 24.4 | Very low | 26.1 | Very low | 100 Ų | 100 | 137.9 Ų | 137.9 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | 37.7 | 123.4 | 124.1 | 60.8 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 937 | I | 27.8 | Very low | 26.4 | Very low | 172 Ų | 172 | 134.1 Ų | 134.1 | 88% | 0.882 | 75% | 0.748 | S | S | * | * | -174.5 | 160.1 | 113.3 | -94 | 157.2 | 0 | 0 | 0 | 110 | |||||
| 938 | S | 25.9 | Very low | 26.6 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | trans | -87.7 | 162.6 | -159.6 | 52.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 939 | S | 28.9 | Very low | 26.8 | Very low | 110 Ų | 110 | 135.4 Ų | 135.4 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | 74 | 149.1 | 147 | 69.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 940 | S | 27.6 | Very low | 26.7 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | cis | -158.5 | 161.1 | -14.5 | 43.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 941 | I | 29.1 | Very low | 26.8 | Very low | 149 Ų | 149 | 137.8 Ų | 137.8 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | -177.4 | 151.1 | 90.5 | -86.5 | 168.5 | 0 | 0 | 0 | 109.4 | |||||
| 942 | Y | 25.6 | Very low | 26.6 | Very low | 220 Ų | 220 | 138.6 Ų | 138.6 | 86% | 0.863 | 75% | 0.748 | S | S | * | * | trans | -17.4 | 157.8 | 164 | -66.8 | -92.6 | 0 | 0 | 0 | 120.3 | ||||
| 943 | S | 28 | Very low | 26.7 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 65% | 0.65 | 75% | 0.747 | S | S | * | * | cis | -155.8 | 161.7 | 25.9 | 55.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 944 | S | 29.4 | Very low | 26.6 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | trans | 59.7 | 134.6 | 156.6 | 47 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 945 | I | 29.1 | Very low | 26.6 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | cis | -147.9 | 162 | 4.7 | -109.4 | 157.4 | 0 | 0 | 0 | 110.6 | ||||
| 946 | S | 27.4 | Very low | 26.4 | Very low | 94 Ų | 94 | 139.6 Ų | 139.6 | 66% | 0.657 | 75% | 0.752 | S | S | * | * | trans | -49.9 | 132.8 | 177.6 | 44.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 947 | S | 28 | Very low | 26.6 | Very low | 98 Ų | 98 | 141.8 Ų | 141.8 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | 76.4 | 157.1 | 74.3 | 93.4 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 948 | Y | 26.7 | Very low | 26.6 | Very low | 226 Ų | 226 | 141.7 Ų | 141.7 | 89% | 0.886 | 75% | 0.747 | S | S | * | * | cis | -139.3 | -164.5 | 9.1 | -129.4 | -70 | 0 | 0 | 0 | 111.1 | ||||
| 949 | N | 23.7 | Very low | 26.6 | Very low | 124 Ų | 124 | 147 Ų | 147 | 66% | 0.663 | 75% | 0.753 | S | S | * | * | trans | -136.6 | 148.7 | -169.2 | -156.4 | 1.2 | 0 | 0 | 0 | 111.9 | ||||
| 950 | Y | 24 | Very low | 26.4 | Very low | 196 Ų | 196 | 147.8 Ų | 147.8 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | 70.8 | 144.6 | 160.8 | -86.7 | -65 | 0 | 0 | 0 | 124.5 | ||||
| 951 | I | 25.1 | Very low | 26.6 | Very low | 141 Ų | 141 | 153.6 Ų | 153.6 | 72% | 0.723 | 75% | 0.754 | S | S | * | * | trans | 86.1 | 117.9 | 144.4 | -75.2 | 160.4 | 0 | 0 | 0 | 120.9 | ||||
| 952 | L | 23.5 | Very low | 26.5 | Very low | 155 Ų | 155 | 159.7 Ų | 159.7 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | trans | 62.5 | 149.6 | 156.7 | -106.7 | 64.3 | 0 | 0 | 0 | 118.3 | ||||
| 953 | T | 27.4 | Very low | 26.6 | Very low | 119 Ų | 119 | 156.7 Ų | 156.7 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | cis | -145.7 | 162.3 | 9.9 | -44.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 954 | F | 23.1 | Very low | 26.5 | Very low | 188 Ų | 188 | 160.1 Ų | 160.1 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -37.9 | 129.2 | 166.1 | -101.2 | -104.2 | 0 | 0 | 0 | 116.8 | ||||
| 955 | L | 26 | Very low | 26.3 | Very low | 143 Ų | 143 | 163.2 Ų | 163.2 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | 167.5 | 130.8 | 110.7 | -88.5 | 173.9 | 0 | 0 | 0 | 114.6 | |||||
| 956 | I | 24.4 | Very low | 26.2 | Very low | 143 Ų | 143 | 163.5 Ų | 163.5 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | trans | 1.1 | 129.5 | 150 | -32.4 | 172.1 | 0 | 0 | 0 | 119.4 | ||||
| 957 | I | 28.2 | Very low | 26.1 | Very low | 147 Ų | 147 | 167.9 Ų | 167.9 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | 169.8 | 128.4 | 118.1 | -87.1 | 169.2 | 0 | 0 | 0 | 111.2 | |||||
| 958 | F | 27.3 | Very low | 25.9 | Very low | 169 Ų | 169 | 172.5 Ų | 172.5 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | 33.2 | 134.2 | 154.5 | -75.3 | -112.8 | 0 | 0 | 0 | 121.2 | ||||
| 959 | R | 25.4 | Very low | 25.9 | Very low | 208 Ų | 208 | 168.7 Ų | 168.7 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | 49.2 | 134.2 | 81.1 | -102.4 | -166.1 | 167.3 | 177.5 | -2 | 113.1 | |||||
| 960 | M | 25.7 | Very low | 26.1 | Very low | 125 Ų | 125 | 172.2 Ų | 172.2 | 62% | 0.616 | 79% | 0.786 | S | S | * | * | cis | -172.1 | 137.7 | -7.1 | -149.9 | -176.3 | 83.8 | 0 | 0 | 108.7 | ||||
| 961 | Y | 31.3 | Very low | 26.2 | Very low | 227 Ų | 227 | 170.2 Ų | 170.2 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | trans | -177.7 | 129.3 | 158 | -89.2 | -67.1 | 0 | 0 | 0 | 105.8 | ||||
| 962 | Y | 27.4 | Very low | 26.3 | Very low | 277 Ų | 277 | 172.8 Ų | 172.8 | 100% | 1.086 | 79% | 0.793 | S | S | * | * | cis | -91.8 | 0 | 1.2 | -98.6 | -114.4 | 0 | 0 | 0 | 113.6 |
Retrieved 962 of 962 residues in 270.7 ms
(Link to these results)