| 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 | 28.1 | Very low | 32.4 | Very low | 213 Ų | 213 | 162 Ų | 162 | 100% | 1.049 | 76% | 0.759 | S | S | * | * | 0 | -44.6 | 0 | -89.5 | -174.4 | 173.6 | 0 | 0 | 113.9 | Y3 | M1-Y3 PolarHBondContact O-N 3.13Š| |||
| 2 | L | 33.9 | Very low | 32.3 | Very low | 157 Ų | 157 | 159.5 Ų | 159.5 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -19.6 | 171.9 | -86.7 | 138 | 0 | 0 | 0 | 114.2 | ||
| 3 | Y | 28.7 | Very low | 32 | Very low | 202 Ų | 202 | 160.1 Ų | 160.1 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -15.3 | -179.2 | -126 | -96.5 | 0 | 0 | 0 | 115.1 | M1 | M1-Y3 PolarHBondContact O-N 3.13Š|
| 4 | W | 31.9 | Very low | 31.8 | Very low | 199 Ų | 199 | 157.2 Ų | 157.2 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -8.1 | 176.7 | -87.4 | 65.5 | 0 | 0 | 0 | 113 | F6 | W4-F6 PolarHBondContact O-N 2.73Š|
| 5 | L | 36.1 | Very low | 31.6 | Very low | 105 Ų | 105 | 151.7 Ų | 151.7 | 55% | 0.55 | 78% | 0.776 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.4 | -11.5 | 168.1 | -110.2 | 140.3 | 0 | 0 | 0 | 112.6 | V9 | L5-V9 WeakPolarHBondContact O-CG2 3.28Š|
| 6 | F | 32.9 | Very low | 31.5 | Very low | 173 Ų | 173 | 153.9 Ų | 153.9 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -17.7 | -178.1 | -110.9 | -86.5 | 0 | 0 | 0 | 114.6 | W4 | W4-F6 PolarHBondContact O-N 2.73Š|
| 7 | I | 36.6 | Very low | 31.4 | Very low | 138 Ų | 138 | 152.7 Ų | 152.7 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | -24.1 | -174 | -62.2 | 175.4 | 0 | 0 | 0 | 112.7 | ||
| 8 | F | 30.3 | Very low | 31.4 | Very low | 163 Ų | 163 | 149.9 Ų | 149.9 | 72% | 0.715 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -88.9 | -2.3 | 179.3 | -101.3 | -84.1 | 0 | 0 | 0 | 115.5 | F10 | F8-F10 VanDerWaalsContact C-N 3.26Å; F8-F10 PolarHBondContact O-N 3.12Å |
| 9 | V | 35.1 | Very low | 31.5 | Very low | 96 Ų | 96 | 151.1 Ų | 151.1 | 58% | 0.582 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -76.5 | -13.2 | 176.6 | 172.9 | 0 | 0 | 0 | 0 | 112.2 | L5 | L5-V9 WeakPolarHBondContact O-CG2 3.28Š|
| 10 | F | 31.1 | Very low | 32.1 | Very low | 180 Ų | 180 | 149.8 Ų | 149.8 | 79% | 0.789 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -94.6 | 4.7 | -169 | -110.1 | -80.2 | 0 | 0 | 0 | 117.6 | F8 | F8-F10 VanDerWaalsContact C-N 3.26Å; F8-F10 PolarHBondContact O-N 3.12Å |
| 11 | N | 32.1 | Very low | 32.7 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -138.3 | 16.6 | -173.7 | -97.4 | -29.9 | 0 | 0 | 0 | 118.9 | ||
| 12 | V | 31 | Very low | 33.6 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 80% | 0.8 | 73% | 0.726 | S | S | * | * | trans | -144.7 | 54.2 | 176.4 | -160.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 13 | L | 28.6 | Very low | 34.4 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 87% | 0.874 | 70% | 0.7 | S | S | * | * | trans | -135.1 | 70.1 | 169.9 | -85.3 | 169.5 | 0 | 0 | 0 | 110.3 | ||||
| 14 | S | 28.9 | Very low | 35.8 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 84% | 0.839 | 68% | 0.678 | S | S | * | * | trans | -175.1 | 89.8 | 157.4 | 54 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 15 | G | 28.7 | Very low | 37.1 | Very low | 75 Ų | 75 | 120.5 Ų | 120.5 | 77% | 0.773 | 66% | 0.656 | S | S | * | * | trans | -126.4 | 63.6 | 174 | 0 | 0 | 0 | 0 | 0 | 109.2 | V17 | G15-V17 PolarHBondContact O-N 2.88Š| ||
| 16 | E | 30.1 | Very low | 38.7 | Very low | 187 Ų | 187 | 115.6 Ų | 115.6 | 87% | 0.874 | 63% | 0.63 | S | S | * | * | trans | -75.8 | 108.7 | 167.1 | -74.6 | -177.1 | 155.6 | 0 | 0 | 107.9 | ||||
| 17 | V | 29.1 | Very low | 40.1 | Very low | 133 Ų | 133 | 111.6 Ų | 111.6 | 81% | 0.806 | 62% | 0.622 | S | S | * | * | trans | -99.3 | 91.1 | 170.8 | -178 | 0 | 0 | 0 | 0 | 107.3 | G15 | G15-V17 PolarHBondContact O-N 2.88Š| ||
| 18 | T | 32.8 | Very low | 41.1 | Very low | 102 Ų | 102 | 109 Ų | 109 | 63% | 0.626 | 61% | 0.607 | S | S | * | * | trans | -61.5 | 141.3 | 169.9 | 40.7 | 0 | 0 | 0 | 0 | 110.5 | I20 | T18-I20 VanDerWaalsContact C-N 3.28Å; T18-I20 WeakPolarHBondContact O-CG1 3.43Å; T18-I20 PolarHBondContact O-N 3.48Å | ||
| 19 | L | 33 | Very low | 42.4 | Very low | 172 Ų | 172 | 101.6 Ų | 101.6 | 90% | 0.901 | 58% | 0.575 | S | S | * | * | trans | -62.4 | 85.3 | 170.9 | -83.4 | 150.2 | 0 | 0 | 0 | 109.7 | N21 | L19-N21 PolarHBondContact O-N 2.87Å; L19-N21 VanDerWaalsContact O-N 3.09Å | ||
| 20 | I | 42 | Very low | 43 | Very low | 125 Ų | 125 | 103.7 Ų | 103.7 | 64% | 0.641 | 58% | 0.583 | S | S | * | * | trans | -68.8 | 109.6 | 175.5 | -57.4 | 171.6 | 0 | 0 | 0 | 106.7 | T18 F24 | T18-I20 VanDerWaalsContact C-N 3.28Å; T18-I20 WeakPolarHBondContact O-CG1 3.43Å; T18-I20 PolarHBondContact O-N 3.48Å; I20-F24 HydrophobicContact CG2-CB 4.15Å | ||
| 21 | N | 46.3 | Very low | 43.8 | Very low | 26 Ų | 26 | 98.8 Ų | 98.8 | 14% | 0.139 | 56% | 0.564 | C | S | . | * | trans | -57.4 | 125.2 | 169.1 | 154.6 | 15.8 | 0 | 0 | 0 | 106.8 | L19 W23 F24 | L19-N21 PolarHBondContact O-N 2.87Å; L19-N21 VanDerWaalsContact O-N 3.09Å; N21-W23 PolarHBondContact O-N 2.84Å; N21-W23 VanDerWaalsContact OD1-CD1 3.24Å; N21-W23 PolarHBondContact OD1-N 2.78Å; N21-W23 VanDerWaalsContact OD1-N 3.1Å; N21-F24 HydrophobicContact CB-CD2 3.45Å; N21-F24 VanDerWaalsContact CB-CD2 3.45Å; N21-F24 HydrophobicContact CB-CE2 3.63Å; N21-F24 WeakPolarHBondContact O-CB 3.14Å; N21-F24 PolarHBondContact O-N 2.93Å | ||
| 22 | P | 45.4 | Very low | 44.4 | Very low | 103 Ų | 103 | 96 Ų | 96 | 67% | 0.669 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -10.8 | -170.8 | 23.7 | -34.4 | 0 | 0 | 0 | 114.1 | ||
| 23 | W | 52.3 | Low | 45.3 | Very low | 75 Ų | 75 | 92.7 Ų | 92.7 | 28% | 0.284 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -0.9 | 175.9 | -51.7 | 106.5 | 0 | 0 | 0 | 113.8 | N21 G237 N238 | N21-W23 PolarHBondContact O-N 2.84Å; N21-W23 VanDerWaalsContact OD1-CD1 3.24Å; N21-W23 PolarHBondContact OD1-N 2.78Å; N21-W23 VanDerWaalsContact OD1-N 3.1Å; W23-G237 WeakPolarHBondContact CZ3-O 3.31Å; W23-N238 HydrophobicContact CD2-CB 4.37Å; W23-N238 HydrophobicContact CE3-CB 4.44Å |
| 24 | F | 56.5 | Low | 46.6 | Very low | 74 Ų | 74 | 90.9 Ų | 90.9 | 33% | 0.325 | 52% | 0.515 | S | S | . | . | trans | -76 | 124.1 | 158.5 | -80.3 | -113.8 | 0 | 0 | 0 | 107.6 | I20 N21 D29 W32 | I20-F24 HydrophobicContact CG2-CB 4.15Å; N21-F24 HydrophobicContact CB-CD2 3.45Å; N21-F24 VanDerWaalsContact CB-CD2 3.45Å; N21-F24 HydrophobicContact CB-CE2 3.63Å; N21-F24 WeakPolarHBondContact O-CB 3.14Å; N21-F24 PolarHBondContact O-N 2.93Å; F24-D29 HydrophobicContact CD1-CB 4.05Å; F24-W32 HydrophobicContact CD1-CE3 4.08Å; F24-W32 AromaticContact CD1-CZ3 3.95Å; F24-W32 HydrophobicContact CD1-CZ3 3.95Å; F24-W32 HydrophobicContact CD2-CZ3 4.47Å; F24-W32 AromaticContact CE1-CD2 3.89Å; F24-W32 HydrophobicContact CE1-CD2 3.89Å; F24-W32 AromaticContact CE1-CE3 2.98Å; F24-W32 HydrophobicContact CE1-CE3 2.98Å; F24-W32 HydrophobicContact CE1-CH2 4.02Å; F24-W32 AromaticContact CE1-CZ3 3.08Å; F24-W32 HydrophobicContact CE1-CZ3 3.08Å; F24-W32 HydrophobicContact CE2-CE3 4.27Å; F24-W32 AromaticContact CE2-CZ3 3.7Å; F24-W32 HydrophobicContact CE2-CZ3 3.7Å; F24-W32 HydrophobicContact CZ-CD2 4.38Å; F24-W32 AromaticContact CZ-CE3 3.14Å; F24-W32 HydrophobicContact CZ-CE3 3.14Å; F24-W32 HydrophobicContact CZ-CH2 4.11Å; F24-W32 AromaticContact CZ-CZ3 2.96Å; F24-W32 HydrophobicContact CZ-CZ3 2.96Å | ||
| 25 | G | 59 | Low | 48.6 | Very low | 28 Ų | 28 | 89 Ų | 89 | 29% | 0.289 | 50% | 0.496 | S | S | . | . | trans | 158.1 | -1.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D29 | G25-D29 PolarHBondContact N-OD2 3.38Å; G25-D29 VanDerWaalsContact N-OD2 3.09Å | ||
| 26 | C | 71.1 | Confident | 50.7 | Low | 2 Ų | 2 | 86 Ų | 86 | 1% | 0.014 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -64.1 | 143 | 158.9 | -56.9 | 0 | 0 | 0 | 0 | 107.8 | Q28 D29 R206 C209 | C26-Q28 PolarHBondContact O-N 2.93Å; C26-D29 VanDerWaalsContact CB-OD2 3.3Å; C26-D29 WeakPolarHBondContact CB-OD2 3.38Å; C26-D29 PolarHBondContact N-OD2 3.48Å; C26-D29 WeakPolarHBondContact O-CB 3.32Å; C26-D29 PolarHBondContact O-N 2.76Å; C26-R206 PolarHBondContact SG-NH1 2.9Å; C26-R206 VanDerWaalsContact SG-NH1 3.38Å; C26-R206 PolarHBondContact SG-NH2 3.26Å; C26-C209 VanDerWaalsContact CA-SG 3.5Å; C26-C209 HydrophobicContact CB-CB 3.75Å; C26-C209 WeakPolarHBondContact CB-SG 3.37Å; C26-C209 WeakPolarHBondContact SG-CB 3.46Å; C26-C209 CovalentContact SG-SG 2Å; C26-C209 PolarHBondContact SG-SG 2.73Å |
| 27 | P | 62.5 | Low | 52.5 | Low | 89 Ų | 89 | 78.3 Ų | 78.3 | 58% | 0.578 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -18.4 | 178.2 | -27.3 | 33.6 | 0 | 0 | 0 | 114.9 | F210 | P27-F210 VanDerWaalsContact CD-O 3.27Å; P27-F210 WeakPolarHBondContact CD-O 3.25Å |
| 28 | Q | 57.9 | Low | 54.1 | Low | 84 Ų | 84 | 75.2 Ų | 75.2 | 39% | 0.393 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -15.4 | 176.2 | -65.3 | 177 | -4.7 | 0 | 0 | 113.9 | C26 L541 N543 | C26-Q28 PolarHBondContact O-N 2.93Å; Q28-L541 PolarHBondContact NE2-O 3.49Å; Q28-N543 PolarHBondContact OE1-ND2 3.41Å |
| 29 | D | 57 | Low | 55.6 | Low | 8 Ų | 8 | 72.7 Ų | 72.7 | 4% | 0.043 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -12.8 | -176.2 | -50.8 | -28.5 | 0 | 0 | 0 | 112.8 | F24 G25 C26 I31 R206 | F24-D29 HydrophobicContact CD1-CB 4.05Å; G25-D29 PolarHBondContact N-OD2 3.38Å; G25-D29 VanDerWaalsContact N-OD2 3.09Å; C26-D29 VanDerWaalsContact CB-OD2 3.3Å; C26-D29 WeakPolarHBondContact CB-OD2 3.38Å; C26-D29 PolarHBondContact N-OD2 3.48Å; C26-D29 WeakPolarHBondContact O-CB 3.32Å; C26-D29 PolarHBondContact O-N 2.76Å; D29-I31 PolarHBondContact O-N 3.44Å; D29-R206 IonicContact OD1-CZ 3.48Å; D29-R206 IonicContact OD1-NH1 3.45Å; D29-R206 PolarHBondContact OD1-NH1 2.67Å; D29-R206 IonicContact OD1-NH2 2.7Å; D29-R206 PolarHBondContact OD1-NH2 2.93Å; D29-R206 IonicContact OD2-CZ 3.93Å; D29-R206 IonicContact OD2-NH1 3.19Å; D29-R206 PolarHBondContact OD2-NH1 2.97Å; D29-R206 IonicContact OD2-NH2 2.82Å |
| 30 | D | 47.7 | Very low | 57.7 | Low | 140 Ų | 140 | 65.3 Ų | 65.3 | 75% | 0.749 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -69.7 | 7.4 | -170.4 | -109 | -4.2 | 0 | 0 | 0 | 114.3 | ||
| 31 | I | 47.2 | Very low | 59.6 | Low | 76 Ų | 76 | 61 Ų | 61 | 39% | 0.39 | 34% | 0.339 | S | S | . | . | trans | -145.5 | 68.7 | -175.4 | -36.2 | 175 | 0 | 0 | 0 | 111.2 | D29 F41 | D29-I31 PolarHBondContact O-N 3.44Å; I31-F41 HydrophobicContact CB-CE1 4.32Å; I31-F41 HydrophobicContact CD1-CE1 4.04Å; I31-F41 HydrophobicContact CG2-CD1 3.64Å; I31-F41 HydrophobicContact CG2-CE1 3.6Å | ||
| 32 | W | 45.1 | Very low | 61.3 | Low | 98 Ų | 98 | 61 Ų | 61 | 37% | 0.371 | 34% | 0.339 | S | S | . | . | trans | -105.4 | 86.3 | 155.2 | -64 | -27.8 | 0 | 0 | 0 | 107.9 | F24 T34 M204 | F24-W32 HydrophobicContact CD1-CE3 4.08Å; F24-W32 AromaticContact CD1-CZ3 3.95Å; F24-W32 HydrophobicContact CD1-CZ3 3.95Å; F24-W32 HydrophobicContact CD2-CZ3 4.47Å; F24-W32 AromaticContact CE1-CD2 3.89Å; F24-W32 HydrophobicContact CE1-CD2 3.89Å; F24-W32 AromaticContact CE1-CE3 2.98Å; F24-W32 HydrophobicContact CE1-CE3 2.98Å; F24-W32 HydrophobicContact CE1-CH2 4.02Å; F24-W32 AromaticContact CE1-CZ3 3.08Å; F24-W32 HydrophobicContact CE1-CZ3 3.08Å; F24-W32 HydrophobicContact CE2-CE3 4.27Å; F24-W32 AromaticContact CE2-CZ3 3.7Å; F24-W32 HydrophobicContact CE2-CZ3 3.7Å; F24-W32 HydrophobicContact CZ-CD2 4.38Å; F24-W32 AromaticContact CZ-CE3 3.14Å; F24-W32 HydrophobicContact CZ-CE3 3.14Å; F24-W32 HydrophobicContact CZ-CH2 4.11Å; F24-W32 AromaticContact CZ-CZ3 2.96Å; F24-W32 HydrophobicContact CZ-CZ3 2.96Å; W32-T34 PolarHBondContact O-N 2.91Å; W32-T34 VanDerWaalsContact O-N 3.14Å; W32-M204 HydrophobicContact CH2-CE 4.15Å; W32-M204 HydrophobicContact CH2-SD 4.43Å; W32-M204 HydrophobicContact CZ3-CE 4.21Å | ||
| 33 | D | 49.4 | Very low | 63.2 | Low | 62 Ų | 62 | 58 Ų | 58 | 33% | 0.332 | 32% | 0.316 | S | S | . | . | trans | -68.1 | 107.2 | 161.4 | -159.5 | -53.7 | 0 | 0 | 0 | 106.5 | N35 C36 N42 | D33-N35 PolarHBondContact O-N 2.84Å; D33-C36 PolarHBondContact O-N 3.13Å; D33-C36 VanDerWaalsContact O-N 3.16Å; D33-N42 HydrophobicContact CB-CB 4.07Å; D33-N42 VanDerWaalsContact OD1-CB 3.3Å; D33-N42 WeakPolarHBondContact OD1-CB 3.34Å; D33-N42 PolarHBondContact OD1-ND2 2.72Å; D33-N42 VanDerWaalsContact OD1-ND2 3.1Å; D33-N42 VanDerWaalsContact OD2-CB 3.26Å; D33-N42 WeakPolarHBondContact OD2-CB 3.23Å | ||
| 34 | T | 57.2 | Low | 64.7 | Low | 129 Ų | 129 | 60.7 Ų | 60.7 | 79% | 0.791 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -10.4 | -167.2 | 50.2 | 0 | 0 | 0 | 0 | 114 | W32 | W32-T34 PolarHBondContact O-N 2.91Å; W32-T34 VanDerWaalsContact O-N 3.14Å |
| 35 | N | 71 | Confident | 65.8 | Low | 80 Ų | 80 | 60.3 Ų | 60.3 | 43% | 0.428 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -16.1 | -176.5 | -63.9 | -15 | 0 | 0 | 0 | 113.6 | D33 N42 V181 N185 | D33-N35 PolarHBondContact O-N 2.84Å; N35-N42 WeakPolarHBondContact CB-ND2 3.49Å; N35-N42 PolarHBondContact ND2-ND2 3.34Å; N35-N42 VanDerWaalsContact ND2-ND2 3.13Å; N35-V181 HydrophobicContact CB-CG1 4.34Å; N35-V181 WeakPolarHBondContact O-CG1 3.39Å; N35-N185 PolarHBondContact O-ND2 3.22Å; N35-N185 PolarHBondContact O-OD1 2.95Å |
| 36 | C | 72.9 | Confident | 67 | Low | 13 Ų | 13 | 59.9 Ų | 59.9 | 9% | 0.088 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -118.3 | 155.2 | -178.2 | -69.3 | 0 | 0 | 0 | 0 | 111.9 | D33 W40 N42 C47 | D33-C36 PolarHBondContact O-N 3.13Å; D33-C36 VanDerWaalsContact O-N 3.16Å; C36-W40 HydrophobicContact CB-CB 3.93Å; C36-N42 WeakPolarHBondContact SG-CA 3.27Å; C36-N42 VanDerWaalsContact SG-CB 3.54Å; C36-C47 VanDerWaalsContact CA-SG 3.55Å; C36-C47 HydrophobicContact CB-CB 3.86Å; C36-C47 WeakPolarHBondContact CB-SG 3.21Å; C36-C47 WeakPolarHBondContact SG-CA 3.36Å; C36-C47 WeakPolarHBondContact SG-CB 3.25Å; C36-C47 CovalentContact SG-SG 2.03Å; C36-C47 PolarHBondContact SG-SG 3.31Å |
| 37 | P | 67.2 | Low | 67.7 | Low | 25 Ų | 25 | 59.8 Ų | 59.8 | 16% | 0.162 | 33% | 0.332 | C | S | . | . | trans | -63 | 157.3 | 175 | -22.3 | 36.3 | 0 | 0 | 0 | 112 | G39 W40 A184 N185 L188 | P37-G39 PolarHBondContact O-N 3.43Å; P37-W40 WeakPolarHBondContact O-CB 3.32Å; P37-W40 PolarHBondContact O-N 2.84Å; P37-A184 HydrophobicContact CG-CB 4.15Å; P37-A184 WeakPolarHBondContact CG-O 3.21Å; P37-N185 WeakPolarHBondContact CD-OD1 3.5Å; P37-N185 WeakPolarHBondContact CG-OD1 3.35Å; P37-L188 HydrophobicContact CB-CD1 4.15Å; P37-L188 HydrophobicContact CG-CB 4.41Å; P37-L188 HydrophobicContact CG-CD1 3.87Å | ||
| 38 | D | 63.2 | Low | 68.8 | Low | 68 Ų | 68 | 55.6 Ų | 55.6 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 133.9 | 179 | -69.4 | -28.4 | 0 | 0 | 0 | 111.6 | W40 S191 | D38-W40 VanDerWaalsContact C-N 3.3Å; D38-S191 VanDerWaalsContact CB-OG 3.31Å; D38-S191 WeakPolarHBondContact CB-OG 3.17Å; D38-S191 WeakPolarHBondContact OD2-CB 3.05Å; D38-S191 PolarHBondContact OD2-OG 3.34Å |
| 39 | G | 64.6 | Low | 70 | Confident | 49 Ų | 49 | 52 Ų | 52 | 51% | 0.505 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 0.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | P37 S49 | P37-G39 PolarHBondContact O-N 3.43Å; G39-S49 PolarHBondContact O-OG 3.31Å |
| 40 | W | 76.9 | Confident | 71.3 | Confident | 17 Ų | 17 | 52.5 Ų | 52.5 | 6% | 0.064 | 29% | 0.291 | C | S | . | . | trans | -112.1 | 140.3 | 171.6 | -66 | 67.5 | 0 | 0 | 0 | 110.8 | C36 P37 D38 C47 Y48 H68 C177 A179 L188 | C36-W40 HydrophobicContact CB-CB 3.93Å; P37-W40 WeakPolarHBondContact O-CB 3.32Å; P37-W40 PolarHBondContact O-N 2.84Å; D38-W40 VanDerWaalsContact C-N 3.3Å; W40-C47 HydrophobicContact CB-CB 4.07Å; W40-C47 HydrophobicContact CD2-CB 4.38Å; W40-C47 HydrophobicContact CE3-CB 3.7Å; W40-C47 WeakPolarHBondContact CZ3-O 3.3Å; W40-Y48 CarbonylContact C-O 3.5Å; W40-Y48 WeakPolarHBondContact CA-O 3.49Å; W40-H68 HydrophobicContact CH2-CB 4.47Å; W40-H68 HydrophobicContact CZ2-CB 3.8Å; W40-C177 HydrophobicContact CH2-CB 3.59Å; W40-C177 HydrophobicContact CZ2-CB 4.34Å; W40-C177 HydrophobicContact CZ3-CB 4.15Å; W40-A179 HydrophobicContact CH2-CB 4.43Å; W40-A179 HydrophobicContact CZ3-CB 3.93Å; W40-L188 HydrophobicContact CD2-CD1 4.31Å; W40-L188 HydrophobicContact CZ2-CD1 4.04Å | ||
| 41 | F | 81 | Confident | 72.6 | Confident | 34 Ų | 34 | 47.9 Ų | 47.9 | 15% | 0.149 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 129.1 | -177.7 | -53.9 | -74.1 | 0 | 0 | 0 | 109.1 | I31 C47 Y48 F50 F83 I91 | I31-F41 HydrophobicContact CB-CE1 4.32Å; I31-F41 HydrophobicContact CD1-CE1 4.04Å; I31-F41 HydrophobicContact CG2-CD1 3.64Å; I31-F41 HydrophobicContact CG2-CE1 3.6Å; F41-C47 CarbonylContact O-C 3.51Å; F41-C47 WeakPolarHBondContact O-CA 3.43Å; F41-Y48 WeakPolarHBondContact CD2-O 3.22Å; F41-Y48 PolarHBondContact N-O 2.98Å; F41-Y48 PolarHBondContact O-N 3.03Å; F41-F50 AromaticContact CD2-CD2 3.62Å; F41-F50 HydrophobicContact CD2-CD2 3.62Å; F41-F50 AromaticContact CD2-CE2 3.75Å; F41-F50 HydrophobicContact CD2-CE2 3.75Å; F41-F50 AromaticContact CE2-CD2 3.85Å; F41-F50 HydrophobicContact CE2-CD2 3.85Å; F41-F50 HydrophobicContact CE2-CE2 4.4Å; F41-F83 HydrophobicContact CB-CZ 3.9Å; F41-I91 HydrophobicContact CE2-CD1 4.48Å |
| 42 | N | 82.9 | Confident | 73.6 | Confident | 26 Ų | 26 | 46.7 Ų | 46.7 | 14% | 0.139 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 136.3 | 177.4 | -179.7 | -1.2 | 0 | 0 | 0 | 110.3 | D33 N35 C36 E44 N46 | D33-N42 HydrophobicContact CB-CB 4.07Å; D33-N42 VanDerWaalsContact OD1-CB 3.3Å; D33-N42 WeakPolarHBondContact OD1-CB 3.34Å; D33-N42 PolarHBondContact OD1-ND2 2.72Å; D33-N42 VanDerWaalsContact OD1-ND2 3.1Å; D33-N42 VanDerWaalsContact OD2-CB 3.26Å; D33-N42 WeakPolarHBondContact OD2-CB 3.23Å; N35-N42 WeakPolarHBondContact CB-ND2 3.49Å; N35-N42 PolarHBondContact ND2-ND2 3.34Å; N35-N42 VanDerWaalsContact ND2-ND2 3.13Å; C36-N42 WeakPolarHBondContact SG-CA 3.27Å; C36-N42 VanDerWaalsContact SG-CB 3.54Å; N42-E44 PolarHBondContact OD1-O 2.97Å; N42-N46 WeakPolarHBondContact CA-O 3.43Å |
| 43 | F | 84.4 | Confident | 74.2 | Confident | 40 Ų | 40 | 44.9 Ų | 44.9 | 18% | 0.175 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 120.2 | 161.2 | 177.9 | -96.5 | 0 | 0 | 0 | 109 | A45 N46 Y48 E79 E80 F83 | F43-A45 PolarHBondContact O-N 2.97Å; F43-N46 PolarHBondContact N-O 2.94Å; F43-N46 PolarHBondContact O-N 2.87Å; F43-N46 VanDerWaalsContact O-O 3.08Å; F43-Y48 HydrophobicContact CB-CD2 4.01Å; F43-Y48 HydrophobicContact CB-CE2 3.67Å; F43-Y48 HydrophobicContact CD1-CE2 4.29Å; F43-Y48 HydrophobicContact CG-CE2 4.47Å; F43-E79 HydrophobicContact CZ-CB 3.87Å; F43-E80 HydrophobicContact CD1-CB 4.41Å; F43-E80 HydrophobicContact CD1-CG 4.45Å; F43-E80 VanDerWaalsContact CE1-CA 3.49Å; F43-E80 HydrophobicContact CE1-CB 3.81Å; F43-E80 HydrophobicContact CE1-CG 4.34Å; F43-F83 HydrophobicContact CB-CD1 3.64Å; F43-F83 HydrophobicContact CB-CD2 3.91Å; F43-F83 HydrophobicContact CB-CE1 3.61Å; F43-F83 HydrophobicContact CB-CE2 3.86Å; F43-F83 HydrophobicContact CB-CG 3.79Å; F43-F83 HydrophobicContact CB-CZ 3.71Å; F43-F83 HydrophobicContact CD1-CB 4.38Å; F43-F83 HydrophobicContact CD1-CD1 4.27Å; F43-F83 HydrophobicContact CD1-CG 4.34Å; F43-F83 HydrophobicContact CD2-CB 3.53Å; F43-F83 HydrophobicContact CD2-CD1 4.12Å; F43-F83 AromaticContact CD2-CD2 3.58Å; F43-F83 HydrophobicContact CD2-CD2 3.58Å; F43-F83 HydrophobicContact CD2-CE2 4.31Å; F43-F83 AromaticContact CD2-CG 3.45Å; F43-F83 HydrophobicContact CD2-CG 3.45Å; F43-F83 VanDerWaalsContact CD2-CG 3.45Å; F43-F83 HydrophobicContact CE1-CB 4.48Å; F43-F83 HydrophobicContact CE2-CB 3.63Å; F43-F83 HydrophobicContact CE2-CD2 4.42Å; F43-F83 HydrophobicContact CE2-CG 4.11Å; F43-F83 HydrophobicContact CG-CB 3.93Å; F43-F83 AromaticContact CG-CD1 3.75Å; F43-F83 HydrophobicContact CG-CD1 3.75Å; F43-F83 AromaticContact CG-CD2 3.97Å; F43-F83 HydrophobicContact CG-CD2 3.97Å; F43-F83 HydrophobicContact CG-CE1 4.24Å; F43-F83 HydrophobicContact CG-CE2 4.43Å; F43-F83 AromaticContact CG-CG 3.59Å; F43-F83 HydrophobicContact CG-CG 3.59Å; F43-F83 HydrophobicContact CZ-CB 4.12Å |
| 44 | E | 83.3 | Confident | 74.5 | Confident | 133 Ų | 133 | 48 Ų | 48 | 62% | 0.621 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | -110.4 | -172.5 | -59.1 | -177.4 | 165.5 | 0 | 0 | 113.4 | N42 | N42-E44 PolarHBondContact OD1-O 2.97Š|
| 45 | A | 80.4 | Confident | 74.4 | Confident | 65 Ų | 65 | 42.3 Ų | 42.3 | 54% | 0.537 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 11.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F43 P180 V181 | F43-A45 PolarHBondContact O-N 2.97Å; A45-P180 WeakPolarHBondContact O-CA 3.27Å; A45-V181 PolarHBondContact O-N 3.26Å |
| 46 | N | 84.1 | Confident | 73.9 | Confident | 19 Ų | 19 | 42.2 Ų | 42.2 | 10% | 0.102 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 151.1 | -175.9 | -57.6 | -71.7 | 0 | 0 | 0 | 112 | N42 F43 Y48 R178 A179 P180 | N42-N46 WeakPolarHBondContact CA-O 3.43Å; F43-N46 PolarHBondContact N-O 2.94Å; F43-N46 PolarHBondContact O-N 2.87Å; F43-N46 VanDerWaalsContact O-O 3.08Å; N46-Y48 HydrophobicContact CB-CD2 4.44Å; N46-Y48 HydrophobicContact CB-CE2 3.57Å; N46-R178 HydrophobicContact CB-CG 4.1Å; N46-R178 PolarHBondContact ND2-NE 2.77Å; N46-R178 PolarHBondContact ND2-NH2 2.82Å; N46-A179 CarbonylContact C-O 3.56Å; N46-A179 VanDerWaalsContact CA-O 3.31Å; N46-A179 WeakPolarHBondContact CA-O 3.45Å; N46-P180 WeakPolarHBondContact OD1-CA 3.37Å |
| 47 | C | 85.3 | Confident | 74.2 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 140.5 | 169.4 | -62.1 | 0 | 0 | 0 | 0 | 109.4 | C36 W40 F41 R178 A179 A184 | C36-C47 VanDerWaalsContact CA-SG 3.55Å; C36-C47 HydrophobicContact CB-CB 3.86Å; C36-C47 WeakPolarHBondContact CB-SG 3.21Å; C36-C47 WeakPolarHBondContact SG-CA 3.36Å; C36-C47 WeakPolarHBondContact SG-CB 3.25Å; C36-C47 CovalentContact SG-SG 2.03Å; C36-C47 PolarHBondContact SG-SG 3.31Å; W40-C47 HydrophobicContact CB-CB 4.07Å; W40-C47 HydrophobicContact CD2-CB 4.38Å; W40-C47 HydrophobicContact CE3-CB 3.7Å; W40-C47 WeakPolarHBondContact CZ3-O 3.3Å; F41-C47 CarbonylContact O-C 3.51Å; F41-C47 WeakPolarHBondContact O-CA 3.43Å; C47-R178 CarbonylContact O-C 3.56Å; C47-R178 WeakPolarHBondContact O-CA 3.35Å; C47-A179 PolarHBondContact N-O 2.76Å; C47-A179 PolarHBondContact O-N 2.93Å; C47-A184 HydrophobicContact CB-CB 3.74Å |
| 48 | Y | 86.7 | Confident | 74.9 | Confident | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 135.3 | -179.1 | -61.3 | -101.2 | 0 | 0 | 0 | 110.8 | W40 F41 F43 N46 L73 E80 F83 C177 R178 | W40-Y48 CarbonylContact C-O 3.5Å; W40-Y48 WeakPolarHBondContact CA-O 3.49Å; F41-Y48 WeakPolarHBondContact CD2-O 3.22Å; F41-Y48 PolarHBondContact N-O 2.98Å; F41-Y48 PolarHBondContact O-N 3.03Å; F43-Y48 HydrophobicContact CB-CD2 4.01Å; F43-Y48 HydrophobicContact CB-CE2 3.67Å; F43-Y48 HydrophobicContact CD1-CE2 4.29Å; F43-Y48 HydrophobicContact CG-CE2 4.47Å; N46-Y48 HydrophobicContact CB-CD2 4.44Å; N46-Y48 HydrophobicContact CB-CE2 3.57Å; Y48-L73 HydrophobicContact CD1-CD1 3.86Å; Y48-L73 HydrophobicContact CE1-CD1 3.68Å; Y48-E80 HydrophobicContact CE1-CG 4.34Å; Y48-E80 VanDerWaalsContact CE1-OE1 3.26Å; Y48-E80 WeakPolarHBondContact CE1-OE1 3.49Å; Y48-E80 VanDerWaalsContact CZ-OE1 3.26Å; Y48-E80 VanDerWaalsContact OH-CD 3.3Å; Y48-E80 PolarHBondContact OH-OE1 3.24Å; Y48-F83 HydrophobicContact CD1-CE1 4.37Å; Y48-F83 HydrophobicContact CD2-CD1 4.4Å; Y48-F83 AromaticContact CD2-CE1 3.58Å; Y48-F83 HydrophobicContact CD2-CE1 3.58Å; Y48-F83 HydrophobicContact CD2-CZ 4.23Å; Y48-F83 HydrophobicContact CE2-CE1 4.16Å; Y48-F83 AromaticContact CG-CE1 3.73Å; Y48-F83 HydrophobicContact CG-CE1 3.73Å; Y48-C177 CarbonylContact C-O 3.55Å; Y48-C177 VanDerWaalsContact CA-O 3.26Å; Y48-C177 WeakPolarHBondContact CA-O 3.38Å; Y48-R178 HydrophobicContact CD1-CB 4.1Å; Y48-R178 HydrophobicContact CD1-CG 4.15Å; Y48-R178 HydrophobicContact CE1-CB 4.01Å; Y48-R178 HydrophobicContact CE1-CG 3.66Å; Y48-R178 PolarHBondContact OH-NE 2.85Å |
| 49 | S | 83.3 | Confident | 75.8 | Confident | 10 Ų | 10 | 46.2 Ų | 46.2 | 7% | 0.07 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 139.4 | 172.1 | -166.6 | 0 | 0 | 0 | 0 | 111.1 | G39 I176 C177 | G39-S49 PolarHBondContact O-OG 3.31Å; S49-I176 WeakPolarHBondContact O-CA 3.31Å; S49-C177 PolarHBondContact N-O 2.85Å; S49-C177 PolarHBondContact O-N 2.73Å |
| 50 | F | 82.7 | Confident | 76.7 | Confident | 18 Ų | 18 | 45.4 Ų | 45.4 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 96.4 | -171.4 | -63.2 | -101.3 | 0 | 0 | 0 | 108.9 | F41 V52 F83 V84 R87 L88 I91 W99 I176 | F41-F50 AromaticContact CD2-CD2 3.62Å; F41-F50 HydrophobicContact CD2-CD2 3.62Å; F41-F50 AromaticContact CD2-CE2 3.75Å; F41-F50 HydrophobicContact CD2-CE2 3.75Å; F41-F50 AromaticContact CE2-CD2 3.85Å; F41-F50 HydrophobicContact CE2-CD2 3.85Å; F41-F50 HydrophobicContact CE2-CE2 4.4Å; F50-V52 PolarHBondContact O-N 3.41Å; F50-F83 HydrophobicContact CZ-CE1 4.49Å; F50-V84 HydrophobicContact CE1-CG1 4.09Å; F50-R87 HydrophobicContact CD2-CG 4.09Å; F50-R87 HydrophobicContact CE1-CB 4.26Å; F50-R87 HydrophobicContact CE1-CG 4.26Å; F50-R87 HydrophobicContact CE2-CB 4.23Å; F50-R87 HydrophobicContact CE2-CG 3.59Å; F50-R87 HydrophobicContact CZ-CB 3.8Å; F50-R87 HydrophobicContact CZ-CG 3.68Å; F50-L88 HydrophobicContact CD1-CD2 3.77Å; F50-L88 HydrophobicContact CD1-CG 4.21Å; F50-L88 HydrophobicContact CE1-CD2 4.15Å; F50-L88 HydrophobicContact CE1-CG 4.06Å; F50-I91 HydrophobicContact CB-CD1 4.25Å; F50-I91 HydrophobicContact CD2-CD1 4.4Å; F50-I91 HydrophobicContact CG-CD1 4.27Å; F50-W99 HydrophobicContact CB-CH2 4.45Å; F50-W99 HydrophobicContact CB-CZ3 4.19Å; F50-I176 HydrophobicContact CD1-CD1 3.97Å; F50-I176 HydrophobicContact CD1-CG1 3.84Å; F50-I176 HydrophobicContact CD1-CG2 4.08Å; F50-I176 HydrophobicContact CE1-CD1 3.94Å; F50-I176 HydrophobicContact CE1-CG1 4.21Å; F50-I176 HydrophobicContact CE1-CG2 3.99Å; F50-I176 HydrophobicContact CZ-CG2 4.34Å |
| 51 | F | 77 | Confident | 77 | Confident | 42 Ų | 42 | 44.6 Ų | 44.6 | 18% | 0.184 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 98.8 | -179.1 | -64.7 | -85.2 | 0 | 0 | 0 | 109.3 | Q53 W99 G174 H175 C177 | F51-Q53 VanDerWaalsContact C-N 3.25Å; F51-Q53 PolarHBondContact O-N 3.03Å; F51-W99 WeakPolarHBondContact O-CZ3 3.16Å; F51-G174 CarbonylContact O-C 3.54Å; F51-G174 WeakPolarHBondContact O-CA 3.48Å; F51-H175 WeakPolarHBondContact CB-CE1 3.33Å; F51-H175 WeakPolarHBondContact CB-ND1 3.46Å; F51-H175 AromaticContact CD2-NE2 3.7Å; F51-H175 AromaticContact CG-CE1 3.68Å; F51-H175 AromaticContact CG-NE2 3.75Å; F51-H175 PolarHBondContact N-O 2.02Å; F51-H175 PolarHBondContact O-N 2.84Å; F51-C177 HydrophobicContact CE2-CB 4.04Å; F51-C177 WeakPolarHBondContact CE2-SG 3.26Å |
| 52 | V | 66.3 | Low | 77.1 | Confident | 52 Ų | 52 | 46.6 Ų | 46.6 | 32% | 0.315 | 25% | 0.254 | S | S | . | . | trans | -65.9 | -29 | 179.3 | -167.7 | 0 | 0 | 0 | 0 | 111.4 | F50 I91 W99 | F50-V52 PolarHBondContact O-N 3.41Å; V52-I91 HydrophobicContact CG2-CG2 4.04Å; V52-W99 HydrophobicContact CB-CH2 4.31Å; V52-W99 HydrophobicContact CG2-CH2 3.95Å | ||
| 53 | Q | 58.6 | Low | 77.1 | Confident | 59 Ų | 59 | 52 Ų | 52 | 28% | 0.276 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -130.7 | 157.4 | -173.8 | -60.7 | -164.1 | 0.6 | 0 | 0 | 113.9 | F51 T539 E557 | F51-Q53 VanDerWaalsContact C-N 3.25Å; F51-Q53 PolarHBondContact O-N 3.03Å; Q53-T539 PolarHBondContact NE2-OG1 3.14Å; Q53-E557 PolarHBondContact NE2-OE1 2.75Å; Q53-E557 PolarHBondContact NE2-OE2 2.98Å; Q53-E557 VanDerWaalsContact NE2-OE2 3.08Å |
| 54 | D | 56 | Low | 76.9 | Confident | 128 Ų | 128 | 51.8 Ų | 51.8 | 68% | 0.684 | 28% | 0.277 | S | S | * | . | trans | 43.6 | 92.3 | -179.2 | -85.4 | -31 | 0 | 0 | 0 | 116.2 | ||||
| 55 | P | 54.8 | Low | 76.8 | Confident | 9 Ų | 9 | 45.5 Ų | 45.5 | 6% | 0.058 | 25% | 0.248 | C | C | . | . | -134.6 | 146.6 | 96.9 | 13 | 8.6 | 0 | 0 | 0 | 112.7 | N57 A60 A61 H175 | P55-N57 PolarHBondContact O-N 3.09Å; P55-N57 VanDerWaalsContact O-N 3.09Å; P55-A60 VanDerWaalsContact CB-C 3.41Å; P55-A60 HydrophobicContact CB-CB 3.31Å; P55-A61 HydrophobicContact CB-CB 4.41Å; P55-A61 VanDerWaalsContact CB-N 3.31Å; P55-A61 HydrophobicContact CG-CB 3.59Å; P55-A61 VanDerWaalsContact CG-N 3.33Å; P55-H175 VanDerWaalsContact CD-ND1 3.26Å; P55-H175 WeakPolarHBondContact CD-ND1 3.2Å; P55-H175 VanDerWaalsContact CG-CE1 3.41Å; P55-H175 WeakPolarHBondContact CG-CE1 3.47Å; P55-H175 WeakPolarHBondContact CG-ND1 3.33Å | |||
| 56 | S | 61.3 | Low | 76.7 | Confident | 78 Ų | 78 | 45.6 Ų | 45.6 | 55% | 0.545 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -59.5 | -23.5 | 179.4 | 54.4 | 0 | 0 | 0 | 0 | 114 | ||
| 57 | N | 78.3 | Confident | 76.1 | Confident | 70 Ų | 70 | 48.4 Ų | 48.4 | 37% | 0.374 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -159 | 171.4 | -179.7 | 59.6 | 56.6 | 0 | 0 | 0 | 111.5 | P55 L59 A60 A61 | P55-N57 PolarHBondContact O-N 3.09Å; P55-N57 VanDerWaalsContact O-N 3.09Å; N57-L59 VanDerWaalsContact C-N 3.31Å; N57-L59 PolarHBondContact O-N 3.5Å; N57-L59 WeakPolarHBondContact OD1-CB 3.38Å; N57-L59 PolarHBondContact OD1-N 2.86Å; N57-A60 PolarHBondContact O-N 3.11Å; N57-A60 VanDerWaalsContact O-N 3.15Å; N57-A60 PolarHBondContact OD1-N 3.41Å; N57-A61 PolarHBondContact O-N 3.48Å; N57-A61 VanDerWaalsContact O-N 3.09Å |
| 58 | Y | 82.2 | Confident | 75.4 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 2% | 0.02 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -50.8 | -40.9 | 177.3 | 179.9 | -92.9 | 0 | 0 | 0 | 115.3 | A60 A61 R62 L72 Y100 T101 E116 R152 | Y58-A60 VanDerWaalsContact C-N 3.29Å; Y58-A60 PolarHBondContact O-N 3.32Å; Y58-A61 WeakPolarHBondContact O-CA 3.48Å; Y58-A61 WeakPolarHBondContact O-CB 3.27Å; Y58-A61 PolarHBondContact O-N 2.95Å; Y58-A61 VanDerWaalsContact O-N 3.1Å; Y58-R62 PolarHBondContact O-N 3.13Å; Y58-L72 HydrophobicContact CD2-CD1 4.29Å; Y58-L72 HydrophobicContact CE1-CD1 4.32Å; Y58-L72 HydrophobicContact CE2-CD1 3.59Å; Y58-Y100 AromaticContact CD2-CD1 3.77Å; Y58-Y100 HydrophobicContact CD2-CD1 3.77Å; Y58-Y100 HydrophobicContact CD2-CE1 4.33Å; Y58-Y100 HydrophobicContact CD2-CG 4.16Å; Y58-T101 VanDerWaalsContact CE2-O 3.29Å; Y58-T101 WeakPolarHBondContact CE2-O 3.15Å; Y58-E116 PolarHBondContact OH-OE2 3.5Å; Y58-R152 VanDerWaalsContact CB-CZ 3.48Å; Y58-R152 VanDerWaalsContact CD1-NH2 3.34Å |
| 59 | L | 82.5 | Confident | 74.6 | Confident | 116 Ų | 116 | 51.5 Ų | 51.5 | 61% | 0.607 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -66.7 | -37.4 | -177.4 | -72.8 | 167.4 | 0 | 0 | 0 | 111 | N57 A61 K63 | N57-L59 VanDerWaalsContact C-N 3.31Å; N57-L59 PolarHBondContact O-N 3.5Å; N57-L59 WeakPolarHBondContact OD1-CB 3.38Å; N57-L59 PolarHBondContact OD1-N 2.86Å; L59-A61 VanDerWaalsContact C-N 3.33Å; L59-K63 WeakPolarHBondContact O-CB 3.3Å; L59-K63 PolarHBondContact O-N 2.71Å |
| 60 | A | 82.6 | Confident | 74.4 | Confident | 32 Ų | 32 | 51.1 Ų | 51.1 | 26% | 0.264 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.4 | -34.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | P55 N57 Y58 N64 | P55-A60 VanDerWaalsContact CB-C 3.41Å; P55-A60 HydrophobicContact CB-CB 3.31Å; N57-A60 PolarHBondContact O-N 3.11Å; N57-A60 VanDerWaalsContact O-N 3.15Å; N57-A60 PolarHBondContact OD1-N 3.41Å; Y58-A60 VanDerWaalsContact C-N 3.29Å; Y58-A60 PolarHBondContact O-N 3.32Å; A60-N64 VanDerWaalsContact O-CB 3.23Å; A60-N64 WeakPolarHBondContact O-CB 3.43Å; A60-N64 PolarHBondContact O-N 3.24Å |
| 61 | A | 83.3 | Confident | 74.4 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.1 | -49.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P55 N57 Y58 L59 N64 C65 L72 Y100 H175 | P55-A61 HydrophobicContact CB-CB 4.41Å; P55-A61 VanDerWaalsContact CB-N 3.31Å; P55-A61 HydrophobicContact CG-CB 3.59Å; P55-A61 VanDerWaalsContact CG-N 3.33Å; N57-A61 PolarHBondContact O-N 3.48Å; N57-A61 VanDerWaalsContact O-N 3.09Å; Y58-A61 WeakPolarHBondContact O-CA 3.48Å; Y58-A61 WeakPolarHBondContact O-CB 3.27Å; Y58-A61 PolarHBondContact O-N 2.95Å; Y58-A61 VanDerWaalsContact O-N 3.1Å; L59-A61 VanDerWaalsContact C-N 3.33Å; A61-N64 WeakPolarHBondContact O-CB 3.48Å; A61-N64 PolarHBondContact O-N 2.78Å; A61-C65 PolarHBondContact O-N 2.81Å; A61-L72 HydrophobicContact CB-CD2 4.09Å; A61-Y100 HydrophobicContact CB-CD2 3.97Å; A61-Y100 HydrophobicContact CB-CG 4.41Å; A61-H175 HydrophobicContact CB-CB 3.72Å; A61-H175 PolarHBondContact O-CD2 2.92Å |
| 62 | R | 84.2 | Confident | 74.9 | Confident | 75 Ų | 75 | 50.2 Ų | 50.2 | 28% | 0.283 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.1 | -51.7 | 178.2 | 176.9 | 177.3 | 170.7 | 165.6 | 0.5 | 111.3 | Y58 N64 C65 E66 L72 E116 | Y58-R62 PolarHBondContact O-N 3.13Å; R62-N64 PolarHBondContact O-N 3.17Å; R62-C65 PolarHBondContact O-N 3.16Å; R62-C65 VanDerWaalsContact O-N 3.16Å; R62-E66 HydrophobicContact CG-CG 4.43Å; R62-E66 WeakPolarHBondContact CG-OE1 3.33Å; R62-E66 IonicContact CZ-OE1 2.8Å; R62-E66 IonicContact NE-OE1 2.67Å; R62-E66 PolarHBondContact NE-OE1 2.86Å; R62-E66 IonicContact NH2-OE1 3.53Å; R62-E66 WeakPolarHBondContact O-CG 3.46Å; R62-E66 PolarHBondContact O-N 3.45Å; R62-L72 HydrophobicContact CB-CD1 3.79Å; R62-L72 HydrophobicContact CB-CG 4.43Å; R62-L72 HydrophobicContact CG-CD1 4.45Å; R62-E116 IonicContact NH1-OE1 3.45Å; R62-E116 PolarHBondContact NH1-OE1 2.85Å; R62-E116 IonicContact NH1-OE2 2.77Å |
| 63 | K | 81.4 | Confident | 76.1 | Confident | 141 Ų | 141 | 47.7 Ų | 47.7 | 61% | 0.613 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -59.4 | -37.1 | 179.2 | -171.8 | 176.8 | -178.4 | -179.9 | 0 | 111.4 | L59 E66 T67 | L59-K63 WeakPolarHBondContact O-CB 3.3Å; L59-K63 PolarHBondContact O-N 2.71Å; K63-E66 PolarHBondContact O-N 3.19Å; K63-T67 HydrophobicContact CG-CG2 4.34Å; K63-T67 WeakPolarHBondContact O-CB 3.27Å; K63-T67 WeakPolarHBondContact O-CG2 3.22Å; K63-T67 PolarHBondContact O-N 2.98Å; K63-T67 PolarHBondContact O-OG1 2.64Å |
| 64 | N | 80.7 | Confident | 77.4 | Confident | 35 Ų | 35 | 45.8 Ų | 45.8 | 19% | 0.187 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.9 | -49.3 | 176 | -168.1 | -7.9 | 0 | 0 | 0 | 111.2 | A60 A61 R62 E66 T67 H68 H175 | A60-N64 VanDerWaalsContact O-CB 3.23Å; A60-N64 WeakPolarHBondContact O-CB 3.43Å; A60-N64 PolarHBondContact O-N 3.24Å; A61-N64 WeakPolarHBondContact O-CB 3.48Å; A61-N64 PolarHBondContact O-N 2.78Å; R62-N64 PolarHBondContact O-N 3.17Å; N64-E66 PolarHBondContact O-N 2.98Å; N64-T67 WeakPolarHBondContact CA-OG1 3.45Å; N64-T67 PolarHBondContact O-N 3.02Å; N64-T67 PolarHBondContact O-OG1 2.84Å; N64-H68 PolarHBondContact O-N 2.94Å; N64-H68 VanDerWaalsContact O-N 3.13Å; N64-H68 PolarHBondContact O-ND1 2.7Å; N64-H68 PolarHBondContact OD1-CE1 2.87Å; N64-H68 PolarHBondContact OD1-ND1 2.85Å; N64-H175 WeakPolarHBondContact CB-NE2 3.48Å; N64-H175 PolarHBondContact ND2-CE1 3.12Å; N64-H175 PolarHBondContact ND2-NE2 2.8Å |
| 65 | C | 82.1 | Confident | 78.9 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.1 | -46.2 | 174.2 | -63.4 | 0 | 0 | 0 | 0 | 112.4 | A61 R62 T67 H68 G69 G70 C177 | A61-C65 PolarHBondContact O-N 2.81Å; R62-C65 PolarHBondContact O-N 3.16Å; R62-C65 VanDerWaalsContact O-N 3.16Å; C65-T67 VanDerWaalsContact C-N 3.33Å; C65-T67 PolarHBondContact O-N 3.16Å; C65-H68 CarbonylContact O-C 3.58Å; C65-H68 WeakPolarHBondContact O-CA 3.31Å; C65-H68 PolarHBondContact O-N 3.16Å; C65-G69 PolarHBondContact O-N 2.89Å; C65-G70 CarbonylContact C-O 3.49Å; C65-G70 CarbonylContact O-C 3.46Å; C65-G70 PolarHBondContact O-N 3.47Å; C65-C177 WeakPolarHBondContact CA-SG 3.26Å; C65-C177 HydrophobicContact CB-CB 3.75Å; C65-C177 WeakPolarHBondContact CB-SG 3.22Å; C65-C177 WeakPolarHBondContact SG-CA 3.25Å; C65-C177 WeakPolarHBondContact SG-CB 3.38Å; C65-C177 CovalentContact SG-SG 2.03Å; C65-C177 PolarHBondContact SG-SG 3.23Å |
| 66 | E | 76.9 | Confident | 80.1 | Confident | 68 Ų | 68 | 40.4 Ų | 40.4 | 32% | 0.318 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.7 | -41.6 | 179.6 | -71.3 | 169.9 | 177 | 0 | 0 | 111.5 | R62 K63 N64 H68 G69 G70 | R62-E66 HydrophobicContact CG-CG 4.43Å; R62-E66 WeakPolarHBondContact CG-OE1 3.33Å; R62-E66 IonicContact CZ-OE1 2.8Å; R62-E66 IonicContact NE-OE1 2.67Å; R62-E66 PolarHBondContact NE-OE1 2.86Å; R62-E66 IonicContact NH2-OE1 3.53Å; R62-E66 WeakPolarHBondContact O-CG 3.46Å; R62-E66 PolarHBondContact O-N 3.45Å; K63-E66 PolarHBondContact O-N 3.19Å; N64-E66 PolarHBondContact O-N 2.98Å; E66-H68 PolarHBondContact O-N 2.85Å; E66-G69 PolarHBondContact O-N 2.82Å; E66-G70 WeakPolarHBondContact CA-O 3.49Å; E66-G70 PolarHBondContact N-O 3.03Å |
| 67 | T | 71.4 | Confident | 81.3 | Confident | 77 Ų | 77 | 38.3 Ų | 38.3 | 47% | 0.472 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.7 | -23.7 | 175.8 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | K63 N64 C65 G69 | K63-T67 HydrophobicContact CG-CG2 4.34Å; K63-T67 WeakPolarHBondContact O-CB 3.27Å; K63-T67 WeakPolarHBondContact O-CG2 3.22Å; K63-T67 PolarHBondContact O-N 2.98Å; K63-T67 PolarHBondContact O-OG1 2.64Å; N64-T67 WeakPolarHBondContact CA-OG1 3.45Å; N64-T67 PolarHBondContact O-N 3.02Å; N64-T67 PolarHBondContact O-OG1 2.84Å; C65-T67 VanDerWaalsContact C-N 3.33Å; C65-T67 PolarHBondContact O-N 3.16Å; T67-G69 VanDerWaalsContact C-N 3.34Å |
| 68 | H | 71.1 | Confident | 81.6 | Confident | 62 Ų | 62 | 38.4 Ų | 38.4 | 29% | 0.287 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 16.3 | 175.1 | -70.8 | 88.1 | 0 | 0 | 0 | 113 | W40 N64 C65 E66 G70 L188 | W40-H68 HydrophobicContact CH2-CB 4.47Å; W40-H68 HydrophobicContact CZ2-CB 3.8Å; N64-H68 PolarHBondContact O-N 2.94Å; N64-H68 VanDerWaalsContact O-N 3.13Å; N64-H68 PolarHBondContact O-ND1 2.7Å; N64-H68 PolarHBondContact OD1-CE1 2.87Å; N64-H68 PolarHBondContact OD1-ND1 2.85Å; C65-H68 CarbonylContact O-C 3.58Å; C65-H68 WeakPolarHBondContact O-CA 3.31Å; C65-H68 PolarHBondContact O-N 3.16Å; E66-H68 PolarHBondContact O-N 2.85Å; H68-G70 PolarHBondContact O-N 2.01Å; H68-L188 VanDerWaalsContact CA-CD2 3.45Å; H68-L188 HydrophobicContact CB-CD2 3.75Å; H68-L188 WeakPolarHBondContact O-CD1 3.21Å; H68-L188 VanDerWaalsContact O-CD2 3.23Å; H68-L188 WeakPolarHBondContact O-CD2 3.24Å; H68-L188 VanDerWaalsContact O-CG 3.27Å; H68-L188 WeakPolarHBondContact O-CG 3.5Å |
| 69 | G | 69.8 | Low | 81.8 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 15.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | C65 E66 T67 L187 | C65-G69 PolarHBondContact O-N 2.89Å; E66-G69 PolarHBondContact O-N 2.82Å; T67-G69 VanDerWaalsContact C-N 3.34Å; G69-L187 WeakPolarHBondContact O-CD1 3.31Å |
| 70 | G | 78.8 | Confident | 82 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | trans | -123.4 | 179 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | C65 E66 H68 R178 | C65-G70 CarbonylContact C-O 3.49Å; C65-G70 CarbonylContact O-C 3.46Å; C65-G70 PolarHBondContact O-N 3.47Å; E66-G70 WeakPolarHBondContact CA-O 3.49Å; E66-G70 PolarHBondContact N-O 3.03Å; H68-G70 PolarHBondContact O-N 2.01Å; G70-R178 CarbonylContact C-O 3.51Å; G70-R178 VanDerWaalsContact CA-O 3.31Å; G70-R178 WeakPolarHBondContact CA-O 3.42Å | ||
| 71 | L | 83.2 | Confident | 82.4 | Confident | 32 Ų | 32 | 37.2 Ų | 37.2 | 17% | 0.168 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 163 | 173.8 | -62.2 | 172.3 | 0 | 0 | 0 | 109 | C177 R178 | L71-C177 CarbonylContact O-C 3.59Å; L71-C177 VanDerWaalsContact O-CA 3.29Å; L71-C177 WeakPolarHBondContact O-CA 3.24Å; L71-R178 PolarHBondContact N-O 2.84Å; L71-R178 PolarHBondContact O-N 2.94Å |
| 72 | L | 88.1 | Confident | 82.5 | Confident | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 149.3 | 170.9 | -80.7 | 167.8 | 0 | 0 | 0 | 110.4 | Y58 A61 R62 R74 A102 H175 I176 | Y58-L72 HydrophobicContact CD2-CD1 4.29Å; Y58-L72 HydrophobicContact CE1-CD1 4.32Å; Y58-L72 HydrophobicContact CE2-CD1 3.59Å; A61-L72 HydrophobicContact CB-CD2 4.09Å; R62-L72 HydrophobicContact CB-CD1 3.79Å; R62-L72 HydrophobicContact CB-CG 4.43Å; R62-L72 HydrophobicContact CG-CD1 4.45Å; L72-R74 PolarHBondContact O-N 3.27Å; L72-A102 HydrophobicContact CB-CB 3.93Å; L72-H175 HydrophobicContact CD2-CB 4.02Å; L72-I176 CarbonylContact C-O 3.47Å |
| 73 | L | 90 | Very high | 82.7 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -53.8 | 131.1 | -176.2 | 175.2 | 69.7 | 0 | 0 | 0 | 111.7 | Y48 I75 V84 T101 A102 I176 | Y48-L73 HydrophobicContact CD1-CD1 3.86Å; Y48-L73 HydrophobicContact CE1-CD1 3.68Å; L73-I75 HydrophobicContact CD1-CG1 4.27Å; L73-I75 HydrophobicContact CD2-CD1 4.21Å; L73-I75 HydrophobicContact CD2-CG1 4.1Å; L73-I75 HydrophobicContact CG-CG1 4.14Å; L73-V84 HydrophobicContact CD1-CG2 4.15Å; L73-V84 HydrophobicContact CD2-CG1 3.94Å; L73-V84 HydrophobicContact CD2-CG2 4.19Å; L73-T101 HydrophobicContact CB-CG2 4.34Å; L73-T101 HydrophobicContact CD2-CG2 4.14Å; L73-T101 VanDerWaalsContact O-CB 3.31Å; L73-T101 WeakPolarHBondContact O-CB 3.29Å; L73-A102 PolarHBondContact O-N 2.76Å; L73-I176 HydrophobicContact CB-CB 3.74Å; L73-I176 HydrophobicContact CB-CG2 3.89Å; L73-I176 WeakPolarHBondContact CB-O 3.22Å; L73-I176 HydrophobicContact CD1-CG2 4.23Å; L73-I176 HydrophobicContact CD2-CB 3.99Å; L73-I176 HydrophobicContact CD2-CD1 3.69Å; L73-I176 HydrophobicContact CD2-CG1 4.43Å; L73-I176 HydrophobicContact CD2-CG2 3.97Å; L73-I176 HydrophobicContact CG-CB 4.4Å; L73-I176 HydrophobicContact CG-CG2 4.25Å; L73-I176 PolarHBondContact N-O 2.78Å | ||
| 74 | R | 86.4 | Confident | 83 | Confident | 18 Ų | 18 | 33.6 Ų | 33.6 | 7% | 0.068 | 17% | 0.17 | C | C | . | . | trans | -119.1 | 139 | 163.7 | 170.3 | 174.7 | 93.4 | -169.6 | 11.2 | 107 | L72 D76 W115 H118 Y122 | L72-R74 PolarHBondContact O-N 3.27Å; R74-D76 WeakPolarHBondContact CD-OD1 3.36Å; R74-D76 IonicContact CZ-OD1 2.85Å; R74-D76 VanDerWaalsContact CZ-OD1 3.24Å; R74-D76 IonicContact CZ-OD2 3.51Å; R74-D76 VanDerWaalsContact CZ-OD2 3.31Å; R74-D76 IonicContact NE-OD1 3.47Å; R74-D76 PolarHBondContact NE-OD1 3.24Å; R74-D76 IonicContact NE-OD2 3.94Å; R74-D76 PolarHBondContact NE-OD2 2.99Å; R74-D76 IonicContact NH2-OD1 2.73Å; R74-D76 PolarHBondContact NH2-OD1 3.05Å; R74-D76 IonicContact NH2-OD2 3.6Å; R74-D76 PolarHBondContact NH2-OD2 2.92Å; R74-W115 HydrophobicContact CB-CD2 4.01Å; R74-W115 HydrophobicContact CB-CE3 4.01Å; R74-W115 HydrophobicContact CB-CG 4.29Å; R74-W115 HydrophobicContact CB-CZ3 4.44Å; R74-W115 VanDerWaalsContact CD-CG 3.46Å; R74-W115 HydrophobicContact CG-CB 4.13Å; R74-W115 HydrophobicContact CG-CD2 3.48Å; R74-W115 VanDerWaalsContact CG-CD2 3.48Å; R74-W115 HydrophobicContact CG-CE3 4.01Å; R74-W115 HydrophobicContact CG-CG 3.51Å; R74-W115 HydrophobicContact CG-CZ2 4.22Å; R74-H118 PolarHBondContact NH1-ND1 2.76Å; R74-Y122 VanDerWaalsContact NH1-CB 3.25Å | ||
| 75 | I | 87.3 | Confident | 83.1 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | trans | -108.2 | 116.6 | 173.4 | -63.5 | -175.4 | 0 | 0 | 0 | 108.4 | L73 T77 E80 H81 W115 L129 Y155 W164 | L73-I75 HydrophobicContact CD1-CG1 4.27Å; L73-I75 HydrophobicContact CD2-CD1 4.21Å; L73-I75 HydrophobicContact CD2-CG1 4.1Å; L73-I75 HydrophobicContact CG-CG1 4.14Å; I75-T77 WeakPolarHBondContact CG2-O 3.26Å; I75-E80 WeakPolarHBondContact CA-OE2 3.34Å; I75-H81 HydrophobicContact CD1-CB 4.47Å; I75-H81 HydrophobicContact CG2-CB 3.88Å; I75-W115 HydrophobicContact CB-CZ2 4.45Å; I75-L129 HydrophobicContact CG2-CD1 4.35Å; I75-L129 VanDerWaalsContact O-CD1 3.23Å; I75-L129 WeakPolarHBondContact O-CD1 3.48Å; I75-Y155 HydrophobicContact CD1-CD2 4.23Å; I75-Y155 HydrophobicContact CD1-CE2 3.79Å; I75-W164 HydrophobicContact CB-CH2 3.86Å; I75-W164 HydrophobicContact CB-CZ2 3.75Å; I75-W164 HydrophobicContact CD1-CH2 3.28Å; I75-W164 HydrophobicContact CD1-CZ2 3.61Å; I75-W164 HydrophobicContact CD1-CZ3 4.33Å; I75-W164 HydrophobicContact CG1-CH2 3.58Å; I75-W164 HydrophobicContact CG1-CZ2 3.95Å; I75-W164 HydrophobicContact CG2-CZ2 4.33Å | ||
| 76 | D | 81.7 | Confident | 83 | Confident | 23 Ų | 23 | 36.8 Ų | 36.8 | 12% | 0.123 | 19% | 0.188 | C | C | . | . | trans | -97.6 | -32.4 | -176 | -71.6 | -44 | 0 | 0 | 0 | 112.8 | R74 E80 R178 | R74-D76 WeakPolarHBondContact CD-OD1 3.36Å; R74-D76 IonicContact CZ-OD1 2.85Å; R74-D76 VanDerWaalsContact CZ-OD1 3.24Å; R74-D76 IonicContact CZ-OD2 3.51Å; R74-D76 VanDerWaalsContact CZ-OD2 3.31Å; R74-D76 IonicContact NE-OD1 3.47Å; R74-D76 PolarHBondContact NE-OD1 3.24Å; R74-D76 IonicContact NE-OD2 3.94Å; R74-D76 PolarHBondContact NE-OD2 2.99Å; R74-D76 IonicContact NH2-OD1 2.73Å; R74-D76 PolarHBondContact NH2-OD1 3.05Å; R74-D76 IonicContact NH2-OD2 3.6Å; R74-D76 PolarHBondContact NH2-OD2 2.92Å; D76-E80 PolarHBondContact N-OE2 3.01Å; D76-R178 IonicContact OD2-CZ 3.2Å; D76-R178 IonicContact OD2-NH1 2.89Å; D76-R178 PolarHBondContact OD2-NH1 2.96Å; D76-R178 IonicContact OD2-NH2 3.69Å; D76-R178 PolarHBondContact OD2-NH2 3.36Å; D76-R178 VanDerWaalsContact OD2-NH2 3.15Å | ||
| 77 | T | 86.3 | Confident | 83.1 | Confident | 35 Ų | 35 | 35.7 Ų | 35.7 | 22% | 0.215 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -134.3 | 166.1 | -174.2 | 73.4 | 0 | 0 | 0 | 0 | 112.3 | I75 E79 E80 H81 | I75-T77 WeakPolarHBondContact CG2-O 3.26Å; T77-E79 VanDerWaalsContact C-N 3.32Å; T77-E79 WeakPolarHBondContact CB-OE2 3.46Å; T77-E79 PolarHBondContact OG1-OE2 3.18Å; T77-E80 PolarHBondContact OG1-N 3.21Å; T77-E80 VanDerWaalsContact OG1-N 3.13Å; T77-H81 PolarHBondContact O-N 3.06Å |
| 78 | L | 83.8 | Confident | 83.5 | Confident | 72 Ų | 72 | 32 Ų | 32 | 38% | 0.377 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -72.5 | -30.6 | 176.8 | -170.1 | 64.3 | 0 | 0 | 0 | 111.4 | H81 Q82 | L78-H81 HydrophobicContact CD1-CB 4.48Å; L78-H81 WeakPolarHBondContact O-CB 3.02Å; L78-H81 PolarHBondContact O-N 3.33Å; L78-Q82 WeakPolarHBondContact O-CG 3.27Å; L78-Q82 PolarHBondContact O-N 3.02Å |
| 79 | E | 86.3 | Confident | 83.6 | Confident | 105 Ų | 105 | 32.1 Ų | 32.1 | 49% | 0.491 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -66.9 | -41.4 | 175.5 | -57.9 | 81.6 | -174.2 | 0 | 0 | 111 | F43 T77 H81 Q82 F83 | F43-E79 HydrophobicContact CZ-CB 3.87Å; T77-E79 VanDerWaalsContact C-N 3.32Å; T77-E79 WeakPolarHBondContact CB-OE2 3.46Å; T77-E79 PolarHBondContact OG1-OE2 3.18Å; E79-H81 VanDerWaalsContact C-N 3.32Å; E79-H81 PolarHBondContact O-N 3.28Å; E79-Q82 PolarHBondContact O-N 3.46Å; E79-F83 PolarHBondContact O-N 3.04Å |
| 80 | E | 87.2 | Confident | 83.3 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.019 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.1 | -39.6 | 173.5 | -174.9 | 176.8 | -157.4 | 0 | 0 | 111.3 | F43 Y48 I75 D76 T77 F83 V84 R178 | F43-E80 HydrophobicContact CD1-CB 4.41Å; F43-E80 HydrophobicContact CD1-CG 4.45Å; F43-E80 VanDerWaalsContact CE1-CA 3.49Å; F43-E80 HydrophobicContact CE1-CB 3.81Å; F43-E80 HydrophobicContact CE1-CG 4.34Å; Y48-E80 HydrophobicContact CE1-CG 4.34Å; Y48-E80 VanDerWaalsContact CE1-OE1 3.26Å; Y48-E80 WeakPolarHBondContact CE1-OE1 3.49Å; Y48-E80 VanDerWaalsContact CZ-OE1 3.26Å; Y48-E80 VanDerWaalsContact OH-CD 3.3Å; Y48-E80 PolarHBondContact OH-OE1 3.24Å; I75-E80 WeakPolarHBondContact CA-OE2 3.34Å; D76-E80 PolarHBondContact N-OE2 3.01Å; T77-E80 PolarHBondContact OG1-N 3.21Å; T77-E80 VanDerWaalsContact OG1-N 3.13Å; E80-F83 PolarHBondContact O-N 3.42Å; E80-V84 VanDerWaalsContact O-CG2 3.31Å; E80-V84 WeakPolarHBondContact O-CG2 3.3Å; E80-V84 PolarHBondContact O-N 3.29Å; E80-R178 IonicContact OE1-CZ 3.6Å; E80-R178 IonicContact OE1-NE 3.57Å |
| 81 | H | 89.9 | Confident | 82.5 | Confident | 19 Ų | 19 | 39.5 Ų | 39.5 | 9% | 0.088 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.6 | -47.7 | 172.1 | 164.2 | 67.5 | 0 | 0 | 0 | 112.2 | I75 T77 L78 E79 V84 A85 L132 Y155 W162 | I75-H81 HydrophobicContact CD1-CB 4.47Å; I75-H81 HydrophobicContact CG2-CB 3.88Å; T77-H81 PolarHBondContact O-N 3.06Å; L78-H81 HydrophobicContact CD1-CB 4.48Å; L78-H81 WeakPolarHBondContact O-CB 3.02Å; L78-H81 PolarHBondContact O-N 3.33Å; E79-H81 VanDerWaalsContact C-N 3.32Å; E79-H81 PolarHBondContact O-N 3.28Å; H81-V84 PolarHBondContact O-N 3Å; H81-A85 VanDerWaalsContact O-CB 3.22Å; H81-A85 WeakPolarHBondContact O-CB 3.05Å; H81-A85 PolarHBondContact O-N 2.03Å; H81-L132 HydrophobicContact CB-CD1 4.1Å; H81-L132 WeakPolarHBondContact NE2-CD2 3.22Å; H81-Y155 PolarHBondContact CE1-OH 2.9Å; H81-Y155 AromaticContact ND1-CE2 3.8Å; H81-Y155 AromaticContact ND1-CZ 3.69Å; H81-Y155 PolarHBondContact ND1-OH 3.29Å; H81-Y155 PolarHBondContact O-OH 3.39Å; H81-W162 PolarHBondContact CE1-O 3.39Å |
| 82 | Q | 85.8 | Confident | 81.3 | Confident | 101 Ų | 101 | 38.3 Ų | 38.3 | 47% | 0.472 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.6 | -46.2 | 178.6 | -77.4 | 171.5 | -28.8 | 0 | 0 | 111.4 | L78 E79 V84 A85 D86 | L78-Q82 WeakPolarHBondContact O-CG 3.27Å; L78-Q82 PolarHBondContact O-N 3.02Å; E79-Q82 PolarHBondContact O-N 3.46Å; Q82-V84 PolarHBondContact O-N 3.49Å; Q82-A85 WeakPolarHBondContact O-CB 3.27Å; Q82-A85 PolarHBondContact O-N 2.91Å; Q82-A85 VanDerWaalsContact O-N 3.16Å; Q82-D86 WeakPolarHBondContact O-CB 3.4Å; Q82-D86 VanDerWaalsContact O-CG 3.31Å; Q82-D86 PolarHBondContact O-N 2.89Å |
| 83 | F | 88.8 | Confident | 79.7 | Confident | 38 Ų | 38 | 40.1 Ų | 40.1 | 17% | 0.167 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.8 | -49.5 | 175.6 | 167.4 | -102.5 | 0 | 0 | 0 | 112.5 | F41 F43 Y48 F50 E79 E80 A85 R87 | F41-F83 HydrophobicContact CB-CZ 3.9Å; F43-F83 HydrophobicContact CB-CD1 3.64Å; F43-F83 HydrophobicContact CB-CD2 3.91Å; F43-F83 HydrophobicContact CB-CE1 3.61Å; F43-F83 HydrophobicContact CB-CE2 3.86Å; F43-F83 HydrophobicContact CB-CG 3.79Å; F43-F83 HydrophobicContact CB-CZ 3.71Å; F43-F83 HydrophobicContact CD1-CB 4.38Å; F43-F83 HydrophobicContact CD1-CD1 4.27Å; F43-F83 HydrophobicContact CD1-CG 4.34Å; F43-F83 HydrophobicContact CD2-CB 3.53Å; F43-F83 HydrophobicContact CD2-CD1 4.12Å; F43-F83 AromaticContact CD2-CD2 3.58Å; F43-F83 HydrophobicContact CD2-CD2 3.58Å; F43-F83 HydrophobicContact CD2-CE2 4.31Å; F43-F83 AromaticContact CD2-CG 3.45Å; F43-F83 HydrophobicContact CD2-CG 3.45Å; F43-F83 VanDerWaalsContact CD2-CG 3.45Å; F43-F83 HydrophobicContact CE1-CB 4.48Å; F43-F83 HydrophobicContact CE2-CB 3.63Å; F43-F83 HydrophobicContact CE2-CD2 4.42Å; F43-F83 HydrophobicContact CE2-CG 4.11Å; F43-F83 HydrophobicContact CG-CB 3.93Å; F43-F83 AromaticContact CG-CD1 3.75Å; F43-F83 HydrophobicContact CG-CD1 3.75Å; F43-F83 AromaticContact CG-CD2 3.97Å; F43-F83 HydrophobicContact CG-CD2 3.97Å; F43-F83 HydrophobicContact CG-CE1 4.24Å; F43-F83 HydrophobicContact CG-CE2 4.43Å; F43-F83 AromaticContact CG-CG 3.59Å; F43-F83 HydrophobicContact CG-CG 3.59Å; F43-F83 HydrophobicContact CZ-CB 4.12Å; Y48-F83 HydrophobicContact CD1-CE1 4.37Å; Y48-F83 HydrophobicContact CD2-CD1 4.4Å; Y48-F83 AromaticContact CD2-CE1 3.58Å; Y48-F83 HydrophobicContact CD2-CE1 3.58Å; Y48-F83 HydrophobicContact CD2-CZ 4.23Å; Y48-F83 HydrophobicContact CE2-CE1 4.16Å; Y48-F83 AromaticContact CG-CE1 3.73Å; Y48-F83 HydrophobicContact CG-CE1 3.73Å; F50-F83 HydrophobicContact CZ-CE1 4.49Å; E79-F83 PolarHBondContact O-N 3.04Å; E80-F83 PolarHBondContact O-N 3.42Å; F83-A85 VanDerWaalsContact C-N 3.34Å; F83-A85 PolarHBondContact O-N 3.32Å; F83-R87 VanDerWaalsContact O-CB 3.3Å; F83-R87 WeakPolarHBondContact O-CB 3.35Å; F83-R87 PolarHBondContact O-N 3.43Å |
| 84 | V | 87.2 | Confident | 78.2 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.9 | -40.6 | 178.1 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | F50 L73 E80 H81 Q82 L88 Y155 I176 | F50-V84 HydrophobicContact CE1-CG1 4.09Å; L73-V84 HydrophobicContact CD1-CG2 4.15Å; L73-V84 HydrophobicContact CD2-CG1 3.94Å; L73-V84 HydrophobicContact CD2-CG2 4.19Å; E80-V84 VanDerWaalsContact O-CG2 3.31Å; E80-V84 WeakPolarHBondContact O-CG2 3.3Å; E80-V84 PolarHBondContact O-N 3.29Å; H81-V84 PolarHBondContact O-N 3Å; Q82-V84 PolarHBondContact O-N 3.49Å; V84-L88 HydrophobicContact CG1-CD1 4.01Å; V84-L88 WeakPolarHBondContact O-CB 3.38Å; V84-L88 VanDerWaalsContact O-CG 3.25Å; V84-L88 WeakPolarHBondContact O-CG 3.47Å; V84-L88 PolarHBondContact O-N 3.01Å; V84-Y155 HydrophobicContact CB-CE1 4.45Å; V84-Y155 HydrophobicContact CG1-CD1 4.01Å; V84-Y155 HydrophobicContact CG1-CE1 3.57Å; V84-I176 HydrophobicContact CG1-CD1 3.95Å |
| 85 | A | 83.5 | Confident | 77.1 | Confident | 7 Ų | 7 | 47 Ų | 47 | 6% | 0.058 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.7 | -46.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | H81 Q82 F83 L88 N89 W162 | H81-A85 VanDerWaalsContact O-CB 3.22Å; H81-A85 WeakPolarHBondContact O-CB 3.05Å; H81-A85 PolarHBondContact O-N 2.03Å; Q82-A85 WeakPolarHBondContact O-CB 3.27Å; Q82-A85 PolarHBondContact O-N 2.91Å; Q82-A85 VanDerWaalsContact O-N 3.16Å; F83-A85 VanDerWaalsContact C-N 3.34Å; F83-A85 PolarHBondContact O-N 3.32Å; A85-L88 CarbonylContact O-C 3.58Å; A85-L88 PolarHBondContact O-N 3.41Å; A85-N89 PolarHBondContact O-N 2Å; A85-N89 PolarHBondContact O-ND2 2.92Å; A85-W162 HydrophobicContact CB-CB 3.8Å; A85-W162 HydrophobicContact CB-CG 3.8Å; A85-W162 PolarHBondContact O-NE1 2.59Å |
| 86 | D | 79.7 | Confident | 75.8 | Confident | 96 Ų | 96 | 51.1 Ų | 51.1 | 51% | 0.513 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.6 | -43.9 | 178.9 | -69.7 | -20.2 | 0 | 0 | 0 | 110.4 | Q82 L88 N89 D90 | Q82-D86 WeakPolarHBondContact O-CB 3.4Å; Q82-D86 VanDerWaalsContact O-CG 3.31Å; Q82-D86 PolarHBondContact O-N 2.89Å; D86-L88 VanDerWaalsContact C-N 3.28Å; D86-L88 PolarHBondContact O-N 3.5Å; D86-N89 WeakPolarHBondContact O-CB 3.36Å; D86-N89 PolarHBondContact O-N 2.84Å; D86-D90 PolarHBondContact O-N 3.45Å; D86-D90 VanDerWaalsContact O-N 3.14Å |
| 87 | R | 79.8 | Confident | 75.1 | Confident | 44 Ų | 44 | 52.6 Ų | 52.6 | 17% | 0.166 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 176 | -161.9 | 70.7 | -169.6 | 137.7 | 7.8 | 112.1 | F50 F83 D90 I91 | F50-R87 HydrophobicContact CD2-CG 4.09Å; F50-R87 HydrophobicContact CE1-CB 4.26Å; F50-R87 HydrophobicContact CE1-CG 4.26Å; F50-R87 HydrophobicContact CE2-CB 4.23Å; F50-R87 HydrophobicContact CE2-CG 3.59Å; F50-R87 HydrophobicContact CZ-CB 3.8Å; F50-R87 HydrophobicContact CZ-CG 3.68Å; F83-R87 VanDerWaalsContact O-CB 3.3Å; F83-R87 WeakPolarHBondContact O-CB 3.35Å; F83-R87 PolarHBondContact O-N 3.43Å; R87-D90 PolarHBondContact O-N 2.91Å; R87-I91 HydrophobicContact CG-CD1 3.69Å; R87-I91 HydrophobicContact CG-CG1 4.49Å; R87-I91 WeakPolarHBondContact O-CB 3.36Å; R87-I91 WeakPolarHBondContact O-CG1 3.32Å; R87-I91 PolarHBondContact O-N 3.23Å |
| 88 | L | 78.7 | Confident | 74.8 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -74.7 | -26.5 | 174.2 | -70.9 | 175.1 | 0 | 0 | 0 | 113.1 | F50 V84 A85 D86 D90 A92 W99 Y155 W162 I176 | F50-L88 HydrophobicContact CD1-CD2 3.77Å; F50-L88 HydrophobicContact CD1-CG 4.21Å; F50-L88 HydrophobicContact CE1-CD2 4.15Å; F50-L88 HydrophobicContact CE1-CG 4.06Å; V84-L88 HydrophobicContact CG1-CD1 4.01Å; V84-L88 WeakPolarHBondContact O-CB 3.38Å; V84-L88 VanDerWaalsContact O-CG 3.25Å; V84-L88 WeakPolarHBondContact O-CG 3.47Å; V84-L88 PolarHBondContact O-N 3.01Å; A85-L88 CarbonylContact O-C 3.58Å; A85-L88 PolarHBondContact O-N 3.41Å; D86-L88 VanDerWaalsContact C-N 3.28Å; D86-L88 PolarHBondContact O-N 3.5Å; L88-D90 PolarHBondContact O-N 3.1Å; L88-A92 HydrophobicContact CB-CB 4.37Å; L88-A92 HydrophobicContact CD2-CB 4.41Å; L88-A92 WeakPolarHBondContact O-CA 3.36Å; L88-A92 WeakPolarHBondContact O-CB 3.49Å; L88-A92 PolarHBondContact O-N 3.28Å; L88-W99 HydrophobicContact CD2-CD2 3.98Å; L88-W99 HydrophobicContact CD2-CE3 4.47Å; L88-W99 HydrophobicContact CD2-CH2 3.87Å; L88-W99 HydrophobicContact CD2-CZ2 3.33Å; L88-W99 HydrophobicContact CD2-CZ3 4.42Å; L88-Y155 HydrophobicContact CD1-CD1 3.56Å; L88-Y155 HydrophobicContact CD1-CE1 3.67Å; L88-W162 HydrophobicContact CB-CD2 4.27Å; L88-W162 HydrophobicContact CB-CE3 4.29Å; L88-W162 HydrophobicContact CB-CH2 3.55Å; L88-W162 HydrophobicContact CB-CZ2 3.47Å; L88-W162 VanDerWaalsContact CB-CZ2 3.47Å; L88-W162 HydrophobicContact CB-CZ3 3.96Å; L88-W162 HydrophobicContact CD1-CD2 4.34Å; L88-W162 HydrophobicContact CD1-CE3 3.71Å; L88-W162 HydrophobicContact CD1-CH2 3.97Å; L88-W162 HydrophobicContact CD1-CZ3 3.5Å; L88-W162 VanDerWaalsContact CD1-CZ3 3.5Å; L88-W162 HydrophobicContact CG-CH2 4.28Å; L88-W162 HydrophobicContact CG-CZ3 4.3Å; L88-I176 HydrophobicContact CD1-CD1 4.14Å |
| 89 | N | 72.8 | Confident | 74.9 | Confident | 65 Ų | 65 | 50.3 Ų | 50.3 | 35% | 0.348 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.1 | -34.4 | 170.7 | -78.7 | -32.9 | 0 | 0 | 0 | 111.7 | A85 D86 W162 | A85-N89 PolarHBondContact O-N 2Å; A85-N89 PolarHBondContact O-ND2 2.92Å; D86-N89 WeakPolarHBondContact O-CB 3.36Å; D86-N89 PolarHBondContact O-N 2.84Å; N89-W162 PolarHBondContact OD1-NE1 3.01Å |
| 90 | D | 64.9 | Low | 75 | Confident | 120 Ų | 120 | 46 Ų | 46 | 64% | 0.642 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -78.8 | -41.6 | 176.9 | -63.6 | -20.7 | 0 | 0 | 0 | 112.5 | D86 R87 L88 | D86-D90 PolarHBondContact O-N 3.45Å; D86-D90 VanDerWaalsContact O-N 3.14Å; R87-D90 PolarHBondContact O-N 2.91Å; L88-D90 PolarHBondContact O-N 3.1Å |
| 91 | I | 61.5 | Low | 75.1 | Confident | 41 Ų | 41 | 45.9 Ų | 45.9 | 21% | 0.21 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -91.3 | -38 | -172.1 | -60.9 | 174.4 | 0 | 0 | 0 | 112.7 | F41 F50 V52 R87 V93 | F41-I91 HydrophobicContact CE2-CD1 4.48Å; F50-I91 HydrophobicContact CB-CD1 4.25Å; F50-I91 HydrophobicContact CD2-CD1 4.4Å; F50-I91 HydrophobicContact CG-CD1 4.27Å; V52-I91 HydrophobicContact CG2-CG2 4.04Å; R87-I91 HydrophobicContact CG-CD1 3.69Å; R87-I91 HydrophobicContact CG-CG1 4.49Å; R87-I91 WeakPolarHBondContact O-CB 3.36Å; R87-I91 WeakPolarHBondContact O-CG1 3.32Å; R87-I91 PolarHBondContact O-N 3.23Å; I91-V93 PolarHBondContact O-N 3.29Å |
| 92 | A | 56.7 | Low | 75 | Confident | 7 Ų | 7 | 45 Ų | 45 | 6% | 0.058 | 23% | 0.23 | C | C | . | . | trans | -83.2 | 81.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111 | L88 N94 W99 W162 | L88-A92 HydrophobicContact CB-CB 4.37Å; L88-A92 HydrophobicContact CD2-CB 4.41Å; L88-A92 WeakPolarHBondContact O-CA 3.36Å; L88-A92 WeakPolarHBondContact O-CB 3.49Å; L88-A92 PolarHBondContact O-N 3.28Å; A92-N94 PolarHBondContact O-N 2.93Å; A92-W99 HydrophobicContact CB-CZ2 4.4Å; A92-W162 HydrophobicContact CB-CH2 3.8Å; A92-W162 HydrophobicContact CB-CZ2 4.17Å | ||
| 93 | V | 54.5 | Low | 75 | Confident | 47 Ų | 47 | 40.2 Ų | 40.2 | 29% | 0.285 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -57.6 | -34.7 | 176.7 | -173 | 0 | 0 | 0 | 0 | 111.6 | I91 Y536 T538 | I91-V93 PolarHBondContact O-N 3.29Å; V93-Y536 HydrophobicContact CG1-CD2 3.7Å; V93-Y536 HydrophobicContact CG1-CE2 3.57Å; V93-T538 HydrophobicContact CB-CG2 4.02Å; V93-T538 HydrophobicContact CG1-CG2 3.7Å |
| 94 | N | 59.1 | Low | 74.8 | Confident | 61 Ų | 61 | 39.4 Ų | 39.4 | 33% | 0.326 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -102.4 | 103.5 | 171.2 | -178.7 | -1.3 | 0 | 0 | 0 | 110.6 | A92 S96 L97 | A92-N94 PolarHBondContact O-N 2.93Å; N94-S96 VanDerWaalsContact CG-OG 3.22Å; N94-S96 PolarHBondContact ND2-OG 2.88Å; N94-S96 VanDerWaalsContact ND2-OG 3.16Å; N94-S96 PolarHBondContact O-N 2.89Å; N94-S96 VanDerWaalsContact O-N 3.11Å; N94-S96 WeakPolarHBondContact OD1-CB 3.28Å; N94-S96 PolarHBondContact OD1-N 3.31Å; N94-S96 PolarHBondContact OD1-OG 2.97Å; N94-L97 HydrophobicContact CB-CD1 3.91Å; N94-L97 HydrophobicContact CB-CG 4.25Å; N94-L97 WeakPolarHBondContact O-CB 3.46Å; N94-L97 PolarHBondContact O-N 2.85Å; N94-L97 VanDerWaalsContact O-N 3.14Å |
| 95 | R | 62.8 | Low | 74.3 | Confident | 101 Ų | 101 | 40.9 Ų | 40.9 | 38% | 0.381 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -8.7 | 179.4 | -69.4 | -172 | 177.3 | -161.9 | -2.7 | 114.4 | T157 | R95-T157 HydrophobicContact CB-CG2 3.73Å; R95-T157 HydrophobicContact CG-CG2 4.25Å; R95-T157 WeakPolarHBondContact O-CG2 3.42Å |
| 96 | S | 60.8 | Low | 73.7 | Confident | 87 Ų | 87 | 45 Ų | 45 | 61% | 0.608 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -14.2 | 173.5 | 70.9 | 0 | 0 | 0 | 0 | 114 | N94 R98 | N94-S96 VanDerWaalsContact CG-OG 3.22Å; N94-S96 PolarHBondContact ND2-OG 2.88Å; N94-S96 VanDerWaalsContact ND2-OG 3.16Å; N94-S96 PolarHBondContact O-N 2.89Å; N94-S96 VanDerWaalsContact O-N 3.11Å; N94-S96 WeakPolarHBondContact OD1-CB 3.28Å; N94-S96 PolarHBondContact OD1-N 3.31Å; N94-S96 PolarHBondContact OD1-OG 2.97Å; S96-R98 PolarHBondContact O-N 2.82Å |
| 97 | L | 66.7 | Low | 73 | Confident | 55 Ų | 55 | 47 Ų | 47 | 29% | 0.288 | 25% | 0.245 | S | C | . | . | trans | -67.2 | 131.7 | 178.4 | -77.2 | 163 | 0 | 0 | 0 | 110.8 | N94 | N94-L97 HydrophobicContact CB-CD1 3.91Å; N94-L97 HydrophobicContact CB-CG 4.25Å; N94-L97 WeakPolarHBondContact O-CB 3.46Å; N94-L97 PolarHBondContact O-N 2.85Å; N94-L97 VanDerWaalsContact O-N 3.14Å | ||
| 98 | R | 80.8 | Confident | 72.3 | Confident | 55 Ų | 55 | 47.9 Ų | 47.9 | 21% | 0.208 | 25% | 0.253 | C | S | . | . | trans | -107.5 | 153.4 | 170.7 | -42.8 | 179.3 | 178.7 | 179 | -11 | 109.6 | S96 V154 Y155 L166 R173 | S96-R98 PolarHBondContact O-N 2.82Å; R98-V154 HydrophobicContact CB-CB 4.07Å; R98-V154 HydrophobicContact CB-CG2 3.83Å; R98-V154 HydrophobicContact CG-CG2 4.35Å; R98-Y155 CarbonylContact C-O 3.48Å; R98-Y155 WeakPolarHBondContact CA-O 3.3Å; R98-L166 PolarHBondContact NH1-O 2.77Å; R98-L166 VanDerWaalsContact NH1-O 3.14Å; R98-R173 WeakPolarHBondContact O-CB 3.24Å; R98-R173 VanDerWaalsContact O-CG 3.31Å; R98-R173 WeakPolarHBondContact O-CG 3.42Å | ||
| 99 | W | 85.8 | Confident | 71.4 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 1% | 0.011 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 134.4 | -169.3 | -60.9 | 77.5 | 0 | 0 | 0 | 111.1 | F50 F51 V52 L88 A92 V154 Y155 G174 I176 | F50-W99 HydrophobicContact CB-CH2 4.45Å; F50-W99 HydrophobicContact CB-CZ3 4.19Å; F51-W99 WeakPolarHBondContact O-CZ3 3.16Å; V52-W99 HydrophobicContact CB-CH2 4.31Å; V52-W99 HydrophobicContact CG2-CH2 3.95Å; L88-W99 HydrophobicContact CD2-CD2 3.98Å; L88-W99 HydrophobicContact CD2-CE3 4.47Å; L88-W99 HydrophobicContact CD2-CH2 3.87Å; L88-W99 HydrophobicContact CD2-CZ2 3.33Å; L88-W99 HydrophobicContact CD2-CZ3 4.42Å; A92-W99 HydrophobicContact CB-CZ2 4.4Å; W99-V154 CarbonylContact O-C 3.49Å; W99-V154 VanDerWaalsContact O-CA 3.23Å; W99-V154 WeakPolarHBondContact O-CA 3.14Å; W99-V154 WeakPolarHBondContact O-CB 3.38Å; W99-Y155 PolarHBondContact N-O 2.84Å; W99-Y155 PolarHBondContact O-N 2.95Å; W99-G174 CarbonylContact C-O 3.49Å; W99-G174 VanDerWaalsContact CA-O 3.32Å; W99-G174 WeakPolarHBondContact CA-O 3.38Å; W99-I176 HydrophobicContact CB-CD1 3.96Å; W99-I176 HydrophobicContact CB-CG1 4.18Å; W99-I176 HydrophobicContact CD2-CD1 4.3Å; W99-I176 HydrophobicContact CD2-CG1 4.23Å; W99-I176 HydrophobicContact CE3-CD1 4.25Å; W99-I176 HydrophobicContact CE3-CG1 3.7Å; W99-I176 HydrophobicContact CG-CD1 4.19Å; W99-I176 HydrophobicContact CG-CG1 4.46Å; W99-I176 HydrophobicContact CZ3-CG1 4.42Å |
| 100 | Y | 88.5 | Confident | 70.8 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 6% | 0.063 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 137 | 175.1 | -69.8 | -59.1 | 0 | 0 | 0 | 111.5 | Y58 A61 V154 R173 G174 I176 | Y58-Y100 AromaticContact CD2-CD1 3.77Å; Y58-Y100 HydrophobicContact CD2-CD1 3.77Å; Y58-Y100 HydrophobicContact CD2-CE1 4.33Å; Y58-Y100 HydrophobicContact CD2-CG 4.16Å; A61-Y100 HydrophobicContact CB-CD2 3.97Å; A61-Y100 HydrophobicContact CB-CG 4.41Å; Y100-V154 HydrophobicContact CD1-CG1 3.95Å; Y100-V154 HydrophobicContact CE1-CG1 4.32Å; Y100-R173 HydrophobicContact CD2-CB 3.86Å; Y100-R173 HydrophobicContact CE2-CB 3.65Å; Y100-R173 HydrophobicContact CE2-CG 4.35Å; Y100-R173 HydrophobicContact CG-CB 4.46Å; Y100-G174 PolarHBondContact N-O 2.8Å; Y100-I176 PolarHBondContact O-N 3.35Å |
| 101 | T | 89.3 | Confident | 70.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 174.6 | 176.5 | 70.6 | 0 | 0 | 0 | 0 | 110.3 | Y58 L73 G103 L153 W164 | Y58-T101 VanDerWaalsContact CE2-O 3.29Å; Y58-T101 WeakPolarHBondContact CE2-O 3.15Å; L73-T101 HydrophobicContact CB-CG2 4.34Å; L73-T101 HydrophobicContact CD2-CG2 4.14Å; L73-T101 VanDerWaalsContact O-CB 3.31Å; L73-T101 WeakPolarHBondContact O-CB 3.29Å; T101-G103 PolarHBondContact O-N 3.36Å; T101-G103 PolarHBondContact OG1-N 2.78Å; T101-L153 PolarHBondContact OG1-O 3.29Å; T101-L153 VanDerWaalsContact OG1-O 3.08Å; T101-W164 HydrophobicContact CG2-CZ3 3.95Å |
| 102 | A | 87.6 | Confident | 71.2 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 2% | 0.017 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 1.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | L72 L73 V104 W115 E116 | L72-A102 HydrophobicContact CB-CB 3.93Å; L73-A102 PolarHBondContact O-N 2.76Å; A102-V104 PolarHBondContact O-N 3.37Å; A102-W115 HydrophobicContact CB-CE3 3.95Å; A102-E116 PolarHBondContact O-N 3.5Å |
| 103 | G | 86.3 | Confident | 72.2 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 121.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T101 M114 R152 L153 | T101-G103 PolarHBondContact O-N 3.36Å; T101-G103 PolarHBondContact OG1-N 2.78Å; G103-M114 CarbonylContact C-O 3.59Å; G103-M114 WeakPolarHBondContact CA-O 3.46Å; G103-R152 WeakPolarHBondContact O-CA 3.28Å; G103-L153 PolarHBondContact O-N 2.78Å |
| 104 | V | 84.3 | Confident | 73.5 | Confident | 20 Ų | 20 | 54 Ų | 54 | 12% | 0.121 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 150.4 | 178.5 | -60 | 0 | 0 | 0 | 0 | 111.5 | A102 F113 M114 E116 T151 R152 | A102-V104 PolarHBondContact O-N 3.37Å; V104-F113 WeakPolarHBondContact O-CA 3.37Å; V104-M114 HydrophobicContact CG2-CG 3.93Å; V104-M114 HydrophobicContact CG2-SD 4.45Å; V104-M114 PolarHBondContact N-O 3.08Å; V104-M114 WeakPolarHBondContact O-CG 3.23Å; V104-M114 PolarHBondContact O-N 3.36Å; V104-M114 VanDerWaalsContact O-O 3.13Å; V104-E116 HydrophobicContact CG1-CB 4.11Å; V104-E116 HydrophobicContact CG2-CB 3.7Å; V104-E116 HydrophobicContact CG2-CG 4.15Å; V104-T151 CarbonylContact C-O 3.56Å; V104-T151 WeakPolarHBondContact CA-O 3.31Å; V104-R152 HydrophobicContact CG1-CG 4.45Å |
| 105 | M | 77.2 | Confident | 74.6 | Confident | 32 Ų | 32 | 51.2 Ų | 51.2 | 16% | 0.158 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 130.9 | 174.4 | -169.6 | -175.8 | -71.2 | 0 | 0 | 110 | G111 F113 F146 T151 | M105-G111 WeakPolarHBondContact CG-O 3.03Å; M105-F113 HydrophobicContact CB-CD1 4.06Å; M105-F113 HydrophobicContact CB-CE1 3.8Å; M105-F113 HydrophobicContact CB-CZ 4.09Å; M105-F113 HydrophobicContact CE-CD2 4.44Å; M105-F113 HydrophobicContact CE-CE1 4.11Å; M105-F113 HydrophobicContact CE-CE2 3.44Å; M105-F113 VanDerWaalsContact CE-CE2 3.44Å; M105-F113 HydrophobicContact CE-CZ 3.23Å; M105-F113 HydrophobicContact CG-CE2 4.48Å; M105-F113 HydrophobicContact CG-CZ 4.38Å; M105-F146 HydrophobicContact CE-CD1 4Å; M105-F146 HydrophobicContact CE-CE1 3.86Å; M105-T151 PolarHBondContact N-O 2.8Å |
| 106 | R | 71.1 | Confident | 75.4 | Confident | 93 Ų | 93 | 49.8 Ų | 49.8 | 35% | 0.351 | 27% | 0.266 | S | S | . | . | trans | -57.9 | 139.8 | 173.1 | -90.3 | -166.1 | 162.4 | 154.1 | 10 | 110.8 | D108 E112 M114 | R106-D108 VanDerWaalsContact CD-OD2 3.25Å; R106-D108 WeakPolarHBondContact CD-OD2 3.05Å; R106-D108 PolarHBondContact O-N 3.43Å; R106-E112 WeakPolarHBondContact CB-O 3.26Å; R106-E112 PolarHBondContact N-O 3.06Å; R106-M114 HydrophobicContact CG-CE 3.42Å; R106-M114 VanDerWaalsContact CG-CE 3.42Å; R106-M114 HydrophobicContact CG-CG 3.95Å; R106-M114 HydrophobicContact CG-SD 3.45Å; R106-M114 WeakPolarHBondContact CG-SD 3.42Å; R106-M114 VanDerWaalsContact CZ-CE 3.49Å | ||
| 107 | P | 63.8 | Low | 75.8 | Confident | 139 Ų | 139 | 46.7 Ų | 46.7 | 90% | 0.903 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -76.5 | 6.1 | 173.9 | 30 | -33.2 | 0 | 0 | 0 | 114.1 | ||
| 108 | D | 66.3 | Low | 75.7 | Confident | 62 Ų | 62 | 44.8 Ų | 44.8 | 33% | 0.332 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -81.5 | 172.2 | -179.9 | 68 | 11.9 | 0 | 0 | 0 | 112.6 | R106 F110 G111 | R106-D108 VanDerWaalsContact CD-OD2 3.25Å; R106-D108 WeakPolarHBondContact CD-OD2 3.05Å; R106-D108 PolarHBondContact O-N 3.43Å; D108-F110 PolarHBondContact O-N 2.93Å; D108-F110 VanDerWaalsContact O-N 3.11Å; D108-F110 PolarHBondContact OD1-N 3.34Å; D108-F110 VanDerWaalsContact OD1-N 3.11Å; D108-G111 PolarHBondContact O-N 2.87Å; D108-G111 PolarHBondContact OD1-N 2.97Å |
| 109 | S | 58.7 | Low | 74.8 | Confident | 112 Ų | 112 | 43.3 Ų | 43.3 | 78% | 0.783 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -62.4 | -16.6 | 178.3 | 46.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 110 | F | 60.4 | Low | 73.9 | Confident | 130 Ų | 130 | 49.4 Ų | 49.4 | 57% | 0.57 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -85.9 | -33.6 | 177.9 | -60 | -78.6 | 0 | 0 | 0 | 110.9 | D108 E112 R143 | D108-F110 PolarHBondContact O-N 2.93Å; D108-F110 VanDerWaalsContact O-N 3.11Å; D108-F110 PolarHBondContact OD1-N 3.34Å; D108-F110 VanDerWaalsContact OD1-N 3.11Å; F110-E112 VanDerWaalsContact C-N 3.25Å; F110-E112 HydrophobicContact CB-CG 4.34Å; F110-E112 PolarHBondContact O-N 2.79Å; F110-R143 VanDerWaalsContact O-CD 3.31Å; F110-R143 WeakPolarHBondContact O-CD 3.44Å; F110-R143 PolarHBondContact O-NE 3.1Å; F110-R143 PolarHBondContact O-NH1 3.12Å |
| 111 | G | 62.2 | Low | 72.7 | Confident | 8 Ų | 8 | 52.9 Ų | 52.9 | 8% | 0.082 | 29% | 0.293 | C | S | . | . | trans | 61.2 | 33.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M105 D108 | M105-G111 WeakPolarHBondContact CG-O 3.03Å; D108-G111 PolarHBondContact O-N 2.87Å; D108-G111 PolarHBondContact OD1-N 2.97Å | ||
| 112 | E | 73.5 | Confident | 71.4 | Confident | 111 Ų | 111 | 58.3 Ų | 58.3 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | trans | -75.3 | 145.6 | 175.5 | -68.3 | -175.6 | 167.8 | 0 | 0 | 110.9 | R106 F110 | R106-E112 WeakPolarHBondContact CB-O 3.26Å; R106-E112 PolarHBondContact N-O 3.06Å; F110-E112 VanDerWaalsContact C-N 3.25Å; F110-E112 HydrophobicContact CB-CG 4.34Å; F110-E112 PolarHBondContact O-N 2.79Å | ||
| 113 | F | 77.1 | Confident | 70.6 | Confident | 21 Ų | 21 | 59.9 Ų | 59.9 | 9% | 0.092 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 137.9 | 175 | -75.9 | -89.5 | 0 | 0 | 0 | 111.1 | V104 M105 W133 L153 L166 | V104-F113 WeakPolarHBondContact O-CA 3.37Å; M105-F113 HydrophobicContact CB-CD1 4.06Å; M105-F113 HydrophobicContact CB-CE1 3.8Å; M105-F113 HydrophobicContact CB-CZ 4.09Å; M105-F113 HydrophobicContact CE-CD2 4.44Å; M105-F113 HydrophobicContact CE-CE1 4.11Å; M105-F113 HydrophobicContact CE-CE2 3.44Å; M105-F113 VanDerWaalsContact CE-CE2 3.44Å; M105-F113 HydrophobicContact CE-CZ 3.23Å; M105-F113 HydrophobicContact CG-CE2 4.48Å; M105-F113 HydrophobicContact CG-CZ 4.38Å; F113-W133 HydrophobicContact CB-CH2 4.33Å; F113-W133 HydrophobicContact CB-CZ2 4.26Å; F113-W133 HydrophobicContact CD1-CH2 4.34Å; F113-W133 AromaticContact CD2-CH2 3.33Å; F113-W133 HydrophobicContact CD2-CH2 3.33Å; F113-W133 AromaticContact CD2-CZ2 3.93Å; F113-W133 HydrophobicContact CD2-CZ2 3.93Å; F113-W133 HydrophobicContact CD2-CZ3 4.36Å; F113-W133 AromaticContact CE2-CH2 3.53Å; F113-W133 HydrophobicContact CE2-CH2 3.53Å; F113-W133 HydrophobicContact CE2-CZ3 4.15Å; F113-W133 AromaticContact CG-CH2 3.75Å; F113-W133 HydrophobicContact CG-CH2 3.75Å; F113-W133 HydrophobicContact CG-CZ2 4.18Å; F113-W133 HydrophobicContact CZ-CH2 4.13Å; F113-L153 HydrophobicContact CB-CD1 3.86Å; F113-L153 HydrophobicContact CD1-CD1 3.68Å; F113-L153 HydrophobicContact CD1-CD2 3.9Å; F113-L153 HydrophobicContact CD1-CG 3.48Å; F113-L153 VanDerWaalsContact CD1-CG 3.48Å; F113-L153 HydrophobicContact CE1-CD1 4.47Å; F113-L153 HydrophobicContact CE1-CD2 3.9Å; F113-L153 HydrophobicContact CE1-CG 3.8Å; F113-L153 HydrophobicContact CG-CD1 3.96Å; F113-L153 HydrophobicContact CG-CD2 4.33Å; F113-L153 HydrophobicContact CG-CG 4.16Å; F113-L153 HydrophobicContact CZ-CD2 4.34Å; F113-L166 HydrophobicContact CE1-CD2 4.07Å; F113-L166 HydrophobicContact CE2-CD2 4.07Å; F113-L166 HydrophobicContact CZ-CD2 3.32Å |
| 114 | M | 82.2 | Confident | 70.1 | Confident | 26 Ų | 26 | 63.7 Ų | 63.7 | 13% | 0.128 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 163.8 | -177.8 | 57.4 | 166.7 | 20.3 | 0 | 0 | 111.3 | G103 V104 R106 Q123 | G103-M114 CarbonylContact C-O 3.59Å; G103-M114 WeakPolarHBondContact CA-O 3.46Å; V104-M114 HydrophobicContact CG2-CG 3.93Å; V104-M114 HydrophobicContact CG2-SD 4.45Å; V104-M114 PolarHBondContact N-O 3.08Å; V104-M114 WeakPolarHBondContact O-CG 3.23Å; V104-M114 PolarHBondContact O-N 3.36Å; V104-M114 VanDerWaalsContact O-O 3.13Å; R106-M114 HydrophobicContact CG-CE 3.42Å; R106-M114 VanDerWaalsContact CG-CE 3.42Å; R106-M114 HydrophobicContact CG-CG 3.95Å; R106-M114 HydrophobicContact CG-SD 3.45Å; R106-M114 WeakPolarHBondContact CG-SD 3.42Å; R106-M114 VanDerWaalsContact CZ-CE 3.49Å; M114-Q123 CarbonylContact C-O 3.58Å; M114-Q123 WeakPolarHBondContact CA-O 3.27Å; M114-Q123 VanDerWaalsContact CB-O 3.25Å; M114-Q123 WeakPolarHBondContact CB-O 3.28Å; M114-Q123 HydrophobicContact CE-CB 4.21Å; M114-Q123 VanDerWaalsContact CE-OE1 3.31Å |
| 115 | W | 82.2 | Confident | 69.7 | Low | 3 Ų | 3 | 63.9 Ų | 63.9 | 1% | 0.011 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 114.3 | 171.3 | -57.3 | 117.4 | 0 | 0 | 0 | 110.1 | R74 I75 A102 Q123 V125 W164 | R74-W115 HydrophobicContact CB-CD2 4.01Å; R74-W115 HydrophobicContact CB-CE3 4.01Å; R74-W115 HydrophobicContact CB-CG 4.29Å; R74-W115 HydrophobicContact CB-CZ3 4.44Å; R74-W115 VanDerWaalsContact CD-CG 3.46Å; R74-W115 HydrophobicContact CG-CB 4.13Å; R74-W115 HydrophobicContact CG-CD2 3.48Å; R74-W115 VanDerWaalsContact CG-CD2 3.48Å; R74-W115 HydrophobicContact CG-CE3 4.01Å; R74-W115 HydrophobicContact CG-CG 3.51Å; R74-W115 HydrophobicContact CG-CZ2 4.22Å; I75-W115 HydrophobicContact CB-CZ2 4.45Å; A102-W115 HydrophobicContact CB-CE3 3.95Å; W115-Q123 PolarHBondContact N-O 2.88Å; W115-V125 HydrophobicContact CZ2-CG2 4.45Å; W115-W164 AromaticContact CH2-CH2 3.52Å; W115-W164 HydrophobicContact CH2-CH2 3.52Å; W115-W164 AromaticContact CH2-CZ2 3.87Å; W115-W164 HydrophobicContact CH2-CZ2 3.87Å; W115-W164 HydrophobicContact CH2-CZ3 4.01Å; W115-W164 HydrophobicContact CZ2-CH2 4.26Å; W115-W164 HydrophobicContact CZ2-CZ2 4.18Å |
| 116 | E | 77.9 | Confident | 69.7 | Low | 71 Ų | 71 | 68.4 Ų | 68.4 | 33% | 0.332 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -70.4 | 141.4 | 177.7 | -158.2 | -173.3 | 167.6 | 0 | 0 | 110.9 | Y58 R62 A102 V104 H118 | Y58-E116 PolarHBondContact OH-OE2 3.5Å; R62-E116 IonicContact NH1-OE1 3.45Å; R62-E116 PolarHBondContact NH1-OE1 2.85Å; R62-E116 IonicContact NH1-OE2 2.77Å; A102-E116 PolarHBondContact O-N 3.5Å; V104-E116 HydrophobicContact CG1-CB 4.11Å; V104-E116 HydrophobicContact CG2-CB 3.7Å; V104-E116 HydrophobicContact CG2-CG 4.15Å; E116-H118 PolarHBondContact O-CD2 2.9Å |
| 117 | G | 69.9 | Low | 69.9 | Low | 21 Ų | 21 | 68.3 Ų | 68.3 | 22% | 0.216 | 38% | 0.378 | C | S | . | . | S | Bend | trans | 70.2 | 45.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | P688 | G117-P688 CarbonylContact C-O 3.58Š|
| 118 | H | 65 | Low | 70.7 | Confident | 15 Ų | 15 | 68.8 Ų | 68.8 | 7% | 0.069 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -144.6 | 161.6 | 175.8 | -67.4 | -69.4 | 0 | 0 | 0 | 110.8 | R74 E116 Q123 P688 | R74-H118 PolarHBondContact NH1-ND1 2.76Å; E116-H118 PolarHBondContact O-CD2 2.9Å; H118-Q123 HydrophobicContact CB-CG 4.46Å; H118-Q123 VanDerWaalsContact O-CG 3.24Å; H118-Q123 WeakPolarHBondContact O-CG 3.43Å; H118-Q123 PolarHBondContact O-NE2 3.29Å; H118-P688 WeakPolarHBondContact CA-O 3.45Å; H118-P688 PolarHBondContact N-O 3.03Å |
| 119 | P | 62.3 | Low | 71.5 | Confident | 25 Ų | 25 | 66 Ų | 66 | 16% | 0.162 | 35% | 0.353 | C | S | . | . | trans | -65.5 | 152 | -178.7 | -12.9 | 27.2 | 0 | 0 | 0 | 111.4 | S121 Y122 Q123 E689 | P119-S121 PolarHBondContact O-N 3.36Å; P119-Y122 HydrophobicContact CB-CD2 3.96Å; P119-Y122 HydrophobicContact CG-CD2 3.73Å; P119-Y122 HydrophobicContact CG-CE2 4.29Å; P119-Y122 CarbonylContact O-C 3.57Å; P119-Y122 WeakPolarHBondContact O-CA 3.49Å; P119-Y122 PolarHBondContact O-N 3.36Å; P119-Q123 WeakPolarHBondContact O-CG 3.31Å; P119-Q123 PolarHBondContact O-N 3.17Å; P119-Q123 VanDerWaalsContact O-N 3.12Å; P119-E689 HydrophobicContact CB-CB 4.36Å; P119-E689 WeakPolarHBondContact CD-O 3.4Å; P119-E689 HydrophobicContact CG-CB 4.17Å; P119-E689 WeakPolarHBondContact CG-O 3.35Å | ||
| 120 | L | 65.8 | Low | 72.4 | Confident | 130 Ų | 130 | 65.1 Ų | 65.1 | 68% | 0.681 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -34.6 | -178.6 | -75.6 | 167.6 | 0 | 0 | 0 | 114 | Y122 | L120-Y122 PolarHBondContact O-N 2.77Š|
| 121 | S | 63.7 | Low | 73.2 | Confident | 89 Ų | 89 | 63.2 Ų | 63.2 | 62% | 0.622 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -18.5 | 177.1 | 52.9 | 0 | 0 | 0 | 0 | 114.4 | P119 | P119-S121 PolarHBondContact O-N 3.36Š|
| 122 | Y | 62.7 | Low | 74.2 | Confident | 114 Ų | 114 | 63 Ų | 63 | 45% | 0.447 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | 0.1 | -176.1 | -56.3 | -79.7 | 0 | 0 | 0 | 113.9 | R74 P119 L120 | R74-Y122 VanDerWaalsContact NH1-CB 3.25Å; P119-Y122 HydrophobicContact CB-CD2 3.96Å; P119-Y122 HydrophobicContact CG-CD2 3.73Å; P119-Y122 HydrophobicContact CG-CE2 4.29Å; P119-Y122 CarbonylContact O-C 3.57Å; P119-Y122 WeakPolarHBondContact O-CA 3.49Å; P119-Y122 PolarHBondContact O-N 3.36Å; L120-Y122 PolarHBondContact O-N 2.77Å |
| 123 | Q | 70.6 | Confident | 74.6 | Confident | 35 Ų | 35 | 58.9 Ų | 58.9 | 16% | 0.164 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -71.5 | -29.9 | -179.6 | -77.6 | 179.7 | 11.3 | 0 | 0 | 112.9 | M114 W115 H118 P119 | M114-Q123 CarbonylContact C-O 3.58Å; M114-Q123 WeakPolarHBondContact CA-O 3.27Å; M114-Q123 VanDerWaalsContact CB-O 3.25Å; M114-Q123 WeakPolarHBondContact CB-O 3.28Å; M114-Q123 HydrophobicContact CE-CB 4.21Å; M114-Q123 VanDerWaalsContact CE-OE1 3.31Å; W115-Q123 PolarHBondContact N-O 2.88Å; H118-Q123 HydrophobicContact CB-CG 4.46Å; H118-Q123 VanDerWaalsContact O-CG 3.24Å; H118-Q123 WeakPolarHBondContact O-CG 3.43Å; H118-Q123 PolarHBondContact O-NE2 3.29Å; P119-Q123 WeakPolarHBondContact O-CG 3.31Å; P119-Q123 PolarHBondContact O-N 3.17Å; P119-Q123 VanDerWaalsContact O-N 3.12Å |
| 124 | S | 74.8 | Confident | 74.5 | Confident | 80 Ų | 80 | 59.6 Ų | 59.6 | 56% | 0.559 | 31% | 0.313 | S | S | * | . | B | Isolated β-bridge | trans | -76.9 | 132.7 | -178.2 | 58.7 | 0 | 0 | 0 | 0 | 112 | R126 | S124-R126 PolarHBondContact O-N 3.33Å |
| 125 | V | 75.5 | Confident | 74.1 | Confident | 25 Ų | 25 | 60.4 Ų | 60.4 | 15% | 0.152 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -65 | 121.6 | 168.8 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | W115 L129 | W115-V125 HydrophobicContact CZ2-CG2 4.45Å; V125-L129 HydrophobicContact CG1-CB 4.28Å |
| 126 | R | 78.9 | Confident | 73.3 | Confident | 126 Ų | 126 | 66.6 Ų | 66.6 | 48% | 0.475 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 142.2 | -179.2 | -68 | -173.1 | 177.9 | -176 | 1.2 | 111 | S124 E128 L129 | S124-R126 PolarHBondContact O-N 3.33Å; R126-E128 PolarHBondContact O-N 3.41Å; R126-E128 VanDerWaalsContact O-N 3.16Å; R126-L129 HydrophobicContact CB-CD1 4.45Å; R126-L129 PolarHBondContact O-N 3.14Å |
| 127 | S | 75.5 | Confident | 72.7 | Confident | 92 Ų | 92 | 66.7 Ų | 66.7 | 64% | 0.643 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -57.9 | -31.9 | -177.4 | 48.8 | 0 | 0 | 0 | 0 | 113.5 | L129 L130 | S127-L129 PolarHBondContact O-N 3.03Å; S127-L130 VanDerWaalsContact O-CB 3.31Å; S127-L130 WeakPolarHBondContact O-CB 2.95Å; S127-L130 WeakPolarHBondContact O-CD1 3.17Å; S127-L130 VanDerWaalsContact O-CG 3.24Å; S127-L130 WeakPolarHBondContact O-CG 3.44Å; S127-L130 PolarHBondContact O-N 3.15Å |
| 128 | E | 79.8 | Confident | 72.4 | Confident | 149 Ų | 149 | 65.9 Ų | 65.9 | 70% | 0.696 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -63.5 | -29.3 | 178.3 | -67.8 | 165.2 | -165.4 | 0 | 0 | 112.3 | R126 L130 H131 | R126-E128 PolarHBondContact O-N 3.41Å; R126-E128 VanDerWaalsContact O-N 3.16Å; E128-L130 VanDerWaalsContact C-N 3.29Å; E128-L130 PolarHBondContact O-N 2.98Å; E128-H131 PolarHBondContact O-CE1 3.03Å; E128-H131 PolarHBondContact O-ND1 3.21Å |
| 129 | L | 82.3 | Confident | 72.6 | Confident | 3 Ų | 3 | 71.8 Ų | 71.8 | 2% | 0.016 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -84.1 | -1.4 | -178.8 | -59.1 | 175.2 | 0 | 0 | 0 | 113.2 | I75 V125 R126 S127 H131 L132 | I75-L129 HydrophobicContact CG2-CD1 4.35Å; I75-L129 VanDerWaalsContact O-CD1 3.23Å; I75-L129 WeakPolarHBondContact O-CD1 3.48Å; V125-L129 HydrophobicContact CG1-CB 4.28Å; R126-L129 HydrophobicContact CB-CD1 4.45Å; R126-L129 PolarHBondContact O-N 3.14Å; S127-L129 PolarHBondContact O-N 3.03Å; L129-H131 PolarHBondContact O-N 3.21Å; L129-L132 HydrophobicContact CB-CD1 4.27Å; L129-L132 HydrophobicContact CD2-CD1 3.96Å; L129-L132 WeakPolarHBondContact O-CB 3.28Å; L129-L132 WeakPolarHBondContact O-CG 3Å; L129-L132 PolarHBondContact O-N 3.14Å; L129-L132 VanDerWaalsContact O-N 3.1Å |
| 130 | L | 77.6 | Confident | 72.7 | Confident | 94 Ų | 94 | 75.4 Ų | 75.4 | 49% | 0.492 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -64.4 | -19.3 | -178.8 | -69 | 171.8 | 0 | 0 | 0 | 113.6 | S127 E128 L132 | S127-L130 VanDerWaalsContact O-CB 3.31Å; S127-L130 WeakPolarHBondContact O-CB 2.95Å; S127-L130 WeakPolarHBondContact O-CD1 3.17Å; S127-L130 VanDerWaalsContact O-CG 3.24Å; S127-L130 WeakPolarHBondContact O-CG 3.44Å; S127-L130 PolarHBondContact O-N 3.15Å; E128-L130 VanDerWaalsContact C-N 3.29Å; E128-L130 PolarHBondContact O-N 2.98Å; L130-L132 PolarHBondContact O-N 2.98Å |
| 131 | H | 78.2 | Confident | 72.9 | Confident | 90 Ų | 90 | 73.5 Ų | 73.5 | 42% | 0.417 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -75 | -13.3 | 176.3 | 69.1 | -80.9 | 0 | 0 | 0 | 113.5 | E128 L129 W133 R161 | E128-H131 PolarHBondContact O-CE1 3.03Å; E128-H131 PolarHBondContact O-ND1 3.21Å; L129-H131 PolarHBondContact O-N 3.21Å; H131-W133 PolarHBondContact O-N 3.15Å; H131-R161 PolarHBondContact O-NH1 3.47Å; H131-R161 PolarHBondContact O-NH2 3.19Å |
| 132 | L | 83.2 | Confident | 73.1 | Confident | 3 Ų | 3 | 73.5 Ų | 73.5 | 2% | 0.016 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -78.1 | -6.7 | 179.6 | -61.2 | -178.3 | 0 | 0 | 0 | 113.2 | H81 L129 L130 L134 G163 W164 | H81-L132 HydrophobicContact CB-CD1 4.1Å; H81-L132 WeakPolarHBondContact NE2-CD2 3.22Å; L129-L132 HydrophobicContact CB-CD1 4.27Å; L129-L132 HydrophobicContact CD2-CD1 3.96Å; L129-L132 WeakPolarHBondContact O-CB 3.28Å; L129-L132 WeakPolarHBondContact O-CG 3Å; L129-L132 PolarHBondContact O-N 3.14Å; L129-L132 VanDerWaalsContact O-N 3.1Å; L130-L132 PolarHBondContact O-N 2.98Å; L132-L134 PolarHBondContact O-N 3.26Å; L132-G163 CarbonylContact O-C 3.55Å; L132-G163 WeakPolarHBondContact O-CA 3.25Å; L132-W164 VanDerWaalsContact CB-CD1 3.5Å; L132-W164 HydrophobicContact CB-CG 4.48Å; L132-W164 HydrophobicContact CD1-CZ2 4.49Å; L132-W164 PolarHBondContact O-N 2.88Å |
| 133 | W | 82 | Confident | 73.2 | Confident | 25 Ų | 25 | 71.6 Ų | 71.6 | 10% | 0.095 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -68.7 | 123.9 | 176.3 | -72.6 | 79.1 | 0 | 0 | 0 | 111 | F113 H131 I137 L153 R161 W164 L166 | F113-W133 HydrophobicContact CB-CH2 4.33Å; F113-W133 HydrophobicContact CB-CZ2 4.26Å; F113-W133 HydrophobicContact CD1-CH2 4.34Å; F113-W133 AromaticContact CD2-CH2 3.33Å; F113-W133 HydrophobicContact CD2-CH2 3.33Å; F113-W133 AromaticContact CD2-CZ2 3.93Å; F113-W133 HydrophobicContact CD2-CZ2 3.93Å; F113-W133 HydrophobicContact CD2-CZ3 4.36Å; F113-W133 AromaticContact CE2-CH2 3.53Å; F113-W133 HydrophobicContact CE2-CH2 3.53Å; F113-W133 HydrophobicContact CE2-CZ3 4.15Å; F113-W133 AromaticContact CG-CH2 3.75Å; F113-W133 HydrophobicContact CG-CH2 3.75Å; F113-W133 HydrophobicContact CG-CZ2 4.18Å; F113-W133 HydrophobicContact CZ-CH2 4.13Å; H131-W133 PolarHBondContact O-N 3.15Å; W133-I137 HydrophobicContact CB-CD1 4.27Å; W133-I137 HydrophobicContact CB-CG1 4.26Å; W133-I137 HydrophobicContact CD2-CD1 3.66Å; W133-I137 HydrophobicContact CD2-CG1 3.54Å; W133-I137 HydrophobicContact CE3-CD1 4.19Å; W133-I137 HydrophobicContact CE3-CG1 3.54Å; W133-I137 HydrophobicContact CG-CD1 3.69Å; W133-I137 HydrophobicContact CG-CG1 3.89Å; W133-I137 HydrophobicContact CZ3-CG1 4.09Å; W133-L153 HydrophobicContact CE3-CD2 4.44Å; W133-L153 HydrophobicContact CH2-CD1 4.27Å; W133-L153 HydrophobicContact CH2-CD2 3.24Å; W133-L153 HydrophobicContact CH2-CG 4.29Å; W133-L153 HydrophobicContact CZ2-CD1 4.3Å; W133-L153 HydrophobicContact CZ2-CD2 3.96Å; W133-L153 HydrophobicContact CZ3-CD2 3.53Å; W133-R161 PolarHBondContact O-NH2 3.26Å; W133-W164 HydrophobicContact CD2-CB 4.38Å; W133-W164 HydrophobicContact CE3-CB 4.45Å; W133-L166 HydrophobicContact CZ3-CD2 4.32Å |
| 134 | L | 75.2 | Confident | 73 | Confident | 35 Ų | 35 | 75.4 Ų | 75.4 | 18% | 0.183 | 41% | 0.411 | C | S | . | . | trans | -101.9 | -33.7 | 177.1 | -64.8 | 176.2 | 0 | 0 | 0 | 111.7 | L132 D158 R161 W164 Y165 | L132-L134 PolarHBondContact O-N 3.26Å; L134-D158 HydrophobicContact CD1-CB 4.11Å; L134-D158 HydrophobicContact CD2-CB 4.16Å; L134-D158 WeakPolarHBondContact CD2-OD2 3.29Å; L134-R161 HydrophobicContact CD2-CG 3.89Å; L134-R161 VanDerWaalsContact CD2-NE 3.31Å; L134-W164 PolarHBondContact N-O 2.82Å; L134-Y165 HydrophobicContact CB-CD1 4.42Å; L134-Y165 HydrophobicContact CB-CD2 4.37Å; L134-Y165 HydrophobicContact CB-CE1 3.94Å; L134-Y165 HydrophobicContact CB-CE2 3.93Å; L134-Y165 HydrophobicContact CD1-CD2 4.1Å; L134-Y165 HydrophobicContact CD1-CE2 3.33Å; L134-Y165 HydrophobicContact CG-CE2 4.24Å | ||
| 135 | D | 72.5 | Confident | 72.5 | Confident | 43 Ų | 43 | 77.3 Ų | 77.3 | 23% | 0.23 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -80.4 | 152 | 166.9 | -79.5 | -27.3 | 0 | 0 | 0 | 111.3 | I137 Y165 L166 | D135-I137 PolarHBondContact O-N 3.04Å; D135-Y165 WeakPolarHBondContact OD1-CD1 3.46Å; D135-Y165 WeakPolarHBondContact OD2-CD1 3.34Å; D135-L166 HydrophobicContact CB-CD1 4.18Å; D135-L166 HydrophobicContact CB-CG 4.35Å; D135-L166 PolarHBondContact OD2-N 3.45Å |
| 136 | T | 66.5 | Low | 72 | Confident | 134 Ų | 134 | 78.2 Ų | 78.2 | 82% | 0.822 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 118.9 | 171.9 | 39.2 | 0 | 0 | 0 | 0 | 110.1 | ||
| 137 | I | 65.5 | Low | 71.4 | Confident | 72 Ų | 72 | 75.1 Ų | 75.1 | 37% | 0.369 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 127.8 | 175.9 | -55.9 | 173.4 | 0 | 0 | 0 | 108.2 | W133 D135 K139 | W133-I137 HydrophobicContact CB-CD1 4.27Å; W133-I137 HydrophobicContact CB-CG1 4.26Å; W133-I137 HydrophobicContact CD2-CD1 3.66Å; W133-I137 HydrophobicContact CD2-CG1 3.54Å; W133-I137 HydrophobicContact CE3-CD1 4.19Å; W133-I137 HydrophobicContact CE3-CG1 3.54Å; W133-I137 HydrophobicContact CG-CD1 3.69Å; W133-I137 HydrophobicContact CG-CG1 3.89Å; W133-I137 HydrophobicContact CZ3-CG1 4.09Å; D135-I137 PolarHBondContact O-N 3.04Å; I137-K139 PolarHBondContact O-N 2.92Å |
| 138 | P | 63.3 | Low | 70.9 | Confident | 5 Ų | 5 | 80 Ų | 80 | 3% | 0.032 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 130 | 178.4 | 20.5 | -30.7 | 0 | 0 | 0 | 111 | E142 F146 | P138-E142 HydrophobicContact CB-CB 4.44Å; P138-F146 HydrophobicContact CB-CD2 3.63Å; P138-F146 HydrophobicContact CB-CE2 3.54Å; P138-F146 HydrophobicContact CB-CG 4.43Å; P138-F146 HydrophobicContact CB-CZ 4.25Å; P138-F146 HydrophobicContact CG-CD2 3.93Å; P138-F146 HydrophobicContact CG-CE1 4.3Å; P138-F146 HydrophobicContact CG-CE2 3.57Å; P138-F146 HydrophobicContact CG-CG 4.44Å; P138-F146 HydrophobicContact CG-CZ 3.76Å |
| 139 | K | 68.4 | Low | 70.2 | Confident | 139 Ų | 139 | 77.3 Ų | 77.3 | 60% | 0.604 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -66 | 154.1 | 177.1 | -66.9 | 176 | -176.2 | 170.8 | 0 | 109.7 | I137 A141 E142 R143 | I137-K139 PolarHBondContact O-N 2.92Å; K139-A141 PolarHBondContact O-N 3.23Å; K139-E142 HydrophobicContact CB-CG 4.35Å; K139-E142 PolarHBondContact N-OE2 3.45Å; K139-E142 PolarHBondContact O-N 3.48Å; K139-R143 PolarHBondContact O-N 3.34Å |
| 140 | P | 64.4 | Low | 69.6 | Low | 100 Ų | 100 | 81.7 Ų | 81.7 | 65% | 0.649 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | -33 | 179.4 | -28.9 | 35.1 | 0 | 0 | 0 | 114.3 | ||
| 141 | A | 70.7 | Confident | 69.5 | Low | 91 Ų | 91 | 79.9 Ų | 79.9 | 75% | 0.752 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -23.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | K139 | K139-A141 PolarHBondContact O-N 3.23Š|
| 142 | E | 68.3 | Low | 69.7 | Low | 88 Ų | 88 | 79 Ų | 79 | 41% | 0.411 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -17.2 | -177 | -65 | 164.3 | -176.6 | 0 | 0 | 112.2 | P138 K139 P144 T145 F146 | P138-E142 HydrophobicContact CB-CB 4.44Å; K139-E142 HydrophobicContact CB-CG 4.35Å; K139-E142 PolarHBondContact N-OE2 3.45Å; K139-E142 PolarHBondContact O-N 3.48Å; E142-P144 VanDerWaalsContact C-CD 3.42Å; E142-T145 PolarHBondContact O-N 2.83Å; E142-T145 VanDerWaalsContact O-N 3.17Å; E142-T145 PolarHBondContact O-OG1 3.3Å; E142-F146 PolarHBondContact O-N 3.13Å |
| 143 | R | 64.9 | Low | 69.8 | Low | 74 Ų | 74 | 78.9 Ų | 78.9 | 28% | 0.279 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -55.6 | -39.3 | -177.1 | -69.9 | -178.8 | 177.6 | 159.6 | -5 | 114.6 | F110 K139 T145 F146 | F110-R143 VanDerWaalsContact O-CD 3.31Å; F110-R143 WeakPolarHBondContact O-CD 3.44Å; F110-R143 PolarHBondContact O-NE 3.1Å; F110-R143 PolarHBondContact O-NH1 3.12Å; K139-R143 PolarHBondContact O-N 3.34Å; R143-T145 VanDerWaalsContact C-N 3.29Å; R143-T145 PolarHBondContact O-N 3.5Å; R143-F146 WeakPolarHBondContact O-CB 3.04Å; R143-F146 PolarHBondContact O-N 3.33Å |
| 144 | P | 65.4 | Low | 70 | Confident | 115 Ų | 115 | 77.7 Ų | 77.7 | 75% | 0.747 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -65.3 | -30.2 | 178.5 | -20.4 | 32.2 | 0 | 0 | 0 | 113.9 | E142 | E142-P144 VanDerWaalsContact C-CD 3.42Š|
| 145 | T | 64.8 | Low | 70.7 | Confident | 121 Ų | 121 | 76 Ų | 76 | 74% | 0.742 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -95.9 | -0 | -179.1 | 47.9 | 0 | 0 | 0 | 0 | 113.2 | E142 R143 | E142-T145 PolarHBondContact O-N 2.83Å; E142-T145 VanDerWaalsContact O-N 3.17Å; E142-T145 PolarHBondContact O-OG1 3.3Å; R143-T145 VanDerWaalsContact C-N 3.29Å; R143-T145 PolarHBondContact O-N 3.5Å |
| 146 | F | 65.2 | Low | 71.3 | Confident | 43 Ų | 43 | 74 Ų | 74 | 19% | 0.189 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -68.7 | 137.1 | -173.4 | -157.5 | -106.9 | 0 | 0 | 0 | 111.1 | M105 P138 E142 R143 K148 R150 L166 | M105-F146 HydrophobicContact CE-CD1 4Å; M105-F146 HydrophobicContact CE-CE1 3.86Å; P138-F146 HydrophobicContact CB-CD2 3.63Å; P138-F146 HydrophobicContact CB-CE2 3.54Å; P138-F146 HydrophobicContact CB-CG 4.43Å; P138-F146 HydrophobicContact CB-CZ 4.25Å; P138-F146 HydrophobicContact CG-CD2 3.93Å; P138-F146 HydrophobicContact CG-CE1 4.3Å; P138-F146 HydrophobicContact CG-CE2 3.57Å; P138-F146 HydrophobicContact CG-CG 4.44Å; P138-F146 HydrophobicContact CG-CZ 3.76Å; E142-F146 PolarHBondContact O-N 3.13Å; R143-F146 WeakPolarHBondContact O-CB 3.04Å; R143-F146 PolarHBondContact O-N 3.33Å; F146-K148 PolarHBondContact O-N 2.58Å; F146-R150 HydrophobicContact CD1-CB 4.38Å; F146-R150 HydrophobicContact CE1-CB 3.64Å; F146-R150 WeakPolarHBondContact CE1-O 3.48Å; F146-R150 HydrophobicContact CZ-CB 4.21Å; F146-L166 HydrophobicContact CZ-CD1 3.68Å; F146-L166 HydrophobicContact CZ-CD2 4.5Å |
| 147 | P | 65.5 | Low | 71.9 | Confident | 62 Ų | 62 | 68.4 Ų | 68.4 | 40% | 0.403 | 37% | 0.365 | S | S | . | . | trans | -60.2 | 123.1 | -176.1 | -20.6 | 30.5 | 0 | 0 | 0 | 111.3 | V149 R150 | P147-V149 HydrophobicContact CB-CG2 3.9Å; P147-V149 PolarHBondContact O-N 3.17Å; P147-R150 HydrophobicContact CB-CG 4.32Å; P147-R150 PolarHBondContact O-N 3Å | ||
| 148 | K | 65.4 | Low | 72.2 | Confident | 194 Ų | 194 | 67.4 Ų | 67.4 | 84% | 0.843 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -15.1 | 177.8 | -71.7 | -172.6 | 176.2 | -176.8 | 0 | 114.5 | F146 T151 | F146-K148 PolarHBondContact O-N 2.58Å; K148-T151 WeakPolarHBondContact O-CG2 3.49Å |
| 149 | V | 63.9 | Low | 72.2 | Confident | 92 Ų | 92 | 71.5 Ų | 71.5 | 56% | 0.558 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -10.1 | 176.6 | -77.9 | 0 | 0 | 0 | 0 | 114.1 | P147 | P147-V149 HydrophobicContact CB-CG2 3.9Å; P147-V149 PolarHBondContact O-N 3.17Å |
| 150 | R | 70.1 | Confident | 72 | Confident | 95 Ų | 95 | 69.1 Ų | 69.1 | 36% | 0.358 | 37% | 0.369 | S | S | . | . | trans | -105.2 | 43.2 | -179.5 | -65.7 | -159.5 | 176.2 | -174.2 | -0.7 | 113 | F146 P147 D167 | F146-R150 HydrophobicContact CD1-CB 4.38Å; F146-R150 HydrophobicContact CE1-CB 3.64Å; F146-R150 WeakPolarHBondContact CE1-O 3.48Å; F146-R150 HydrophobicContact CZ-CB 4.21Å; P147-R150 HydrophobicContact CB-CG 4.32Å; P147-R150 PolarHBondContact O-N 3Å; R150-D167 WeakPolarHBondContact CG-O 3.38Å | ||
| 151 | T | 75.1 | Confident | 72.5 | Confident | 56 Ų | 56 | 69.5 Ų | 69.5 | 34% | 0.344 | 36% | 0.357 | S | S | . | . | trans | -95.6 | 9.9 | -175.6 | 54.1 | 0 | 0 | 0 | 0 | 113.7 | V104 M105 K148 | V104-T151 CarbonylContact C-O 3.56Å; V104-T151 WeakPolarHBondContact CA-O 3.31Å; M105-T151 PolarHBondContact N-O 2.8Å; K148-T151 WeakPolarHBondContact O-CG2 3.49Å | ||
| 152 | R | 82.5 | Confident | 73.2 | Confident | 71 Ų | 71 | 65.6 Ų | 65.6 | 27% | 0.268 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 146.7 | -174.5 | -64.7 | -174.6 | 174.4 | 139.8 | -2.2 | 111.9 | Y58 G103 V104 D167 | Y58-R152 VanDerWaalsContact CB-CZ 3.48Å; Y58-R152 VanDerWaalsContact CD1-NH2 3.34Å; G103-R152 WeakPolarHBondContact O-CA 3.28Å; V104-R152 HydrophobicContact CG1-CG 4.45Å; R152-D167 HydrophobicContact CB-CB 3.9Å; R152-D167 PolarHBondContact O-N 2.93Å |
| 153 | L | 85.3 | Confident | 74.1 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 134.4 | 170.7 | -66.3 | 169.3 | 0 | 0 | 0 | 109.8 | T101 G103 F113 W133 W164 | T101-L153 PolarHBondContact OG1-O 3.29Å; T101-L153 VanDerWaalsContact OG1-O 3.08Å; G103-L153 PolarHBondContact O-N 2.78Å; F113-L153 HydrophobicContact CB-CD1 3.86Å; F113-L153 HydrophobicContact CD1-CD1 3.68Å; F113-L153 HydrophobicContact CD1-CD2 3.9Å; F113-L153 HydrophobicContact CD1-CG 3.48Å; F113-L153 VanDerWaalsContact CD1-CG 3.48Å; F113-L153 HydrophobicContact CE1-CD1 4.47Å; F113-L153 HydrophobicContact CE1-CD2 3.9Å; F113-L153 HydrophobicContact CE1-CG 3.8Å; F113-L153 HydrophobicContact CG-CD1 3.96Å; F113-L153 HydrophobicContact CG-CD2 4.33Å; F113-L153 HydrophobicContact CG-CG 4.16Å; F113-L153 HydrophobicContact CZ-CD2 4.34Å; W133-L153 HydrophobicContact CE3-CD2 4.44Å; W133-L153 HydrophobicContact CH2-CD1 4.27Å; W133-L153 HydrophobicContact CH2-CD2 3.24Å; W133-L153 HydrophobicContact CH2-CG 4.29Å; W133-L153 HydrophobicContact CZ2-CD1 4.3Å; W133-L153 HydrophobicContact CZ2-CD2 3.96Å; W133-L153 HydrophobicContact CZ3-CD2 3.53Å; L153-W164 HydrophobicContact CB-CE3 4.49Å; L153-W164 HydrophobicContact CD2-CB 4.19Å |
| 154 | V | 87.3 | Confident | 75.1 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 145 | 170.7 | -64.2 | 0 | 0 | 0 | 0 | 108.5 | R98 W99 Y100 Y165 D167 | R98-V154 HydrophobicContact CB-CB 4.07Å; R98-V154 HydrophobicContact CB-CG2 3.83Å; R98-V154 HydrophobicContact CG-CG2 4.35Å; W99-V154 CarbonylContact O-C 3.49Å; W99-V154 VanDerWaalsContact O-CA 3.23Å; W99-V154 WeakPolarHBondContact O-CA 3.14Å; W99-V154 WeakPolarHBondContact O-CB 3.38Å; Y100-V154 HydrophobicContact CD1-CG1 3.95Å; Y100-V154 HydrophobicContact CE1-CG1 4.32Å; V154-Y165 PolarHBondContact N-O 2.82Å; V154-Y165 PolarHBondContact O-N 2.92Å; V154-D167 HydrophobicContact CG1-CB 3.9Å |
| 155 | Y | 88.9 | Confident | 76 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 134.2 | 179.9 | -164.6 | -111.5 | 0 | 0 | 0 | 110.2 | I75 H81 V84 L88 R98 W99 W162 G163 W164 | I75-Y155 HydrophobicContact CD1-CD2 4.23Å; I75-Y155 HydrophobicContact CD1-CE2 3.79Å; H81-Y155 PolarHBondContact CE1-OH 2.9Å; H81-Y155 AromaticContact ND1-CE2 3.8Å; H81-Y155 AromaticContact ND1-CZ 3.69Å; H81-Y155 PolarHBondContact ND1-OH 3.29Å; H81-Y155 PolarHBondContact O-OH 3.39Å; V84-Y155 HydrophobicContact CB-CE1 4.45Å; V84-Y155 HydrophobicContact CG1-CD1 4.01Å; V84-Y155 HydrophobicContact CG1-CE1 3.57Å; L88-Y155 HydrophobicContact CD1-CD1 3.56Å; L88-Y155 HydrophobicContact CD1-CE1 3.67Å; R98-Y155 CarbonylContact C-O 3.48Å; R98-Y155 WeakPolarHBondContact CA-O 3.3Å; W99-Y155 PolarHBondContact N-O 2.84Å; W99-Y155 PolarHBondContact O-N 2.95Å; Y155-W162 AromaticContact CD1-CE3 3.86Å; Y155-W162 HydrophobicContact CD1-CE3 3.86Å; Y155-W162 HydrophobicContact CD1-CZ3 4.48Å; Y155-W162 HydrophobicContact CE1-CB 3.83Å; Y155-W162 HydrophobicContact CE1-CD2 4.17Å; Y155-W162 AromaticContact CE1-CE3 3.72Å; Y155-W162 HydrophobicContact CE1-CE3 3.72Å; Y155-W162 HydrophobicContact CE1-CG 4.26Å; Y155-W162 HydrophobicContact CE2-CB 4.4Å; Y155-W162 WeakPolarHBondContact OH-CB 3.19Å; Y155-G163 WeakPolarHBondContact CA-O 3.45Å; Y155-G163 WeakPolarHBondContact CD2-O 3.49Å; Y155-W164 HydrophobicContact CD2-CD2 4.29Å; Y155-W164 AromaticContact CD2-CE3 3.7Å; Y155-W164 HydrophobicContact CD2-CE3 3.7Å; Y155-W164 AromaticContact CD2-CH2 3.8Å; Y155-W164 HydrophobicContact CD2-CH2 3.8Å; Y155-W164 HydrophobicContact CD2-CZ2 4.39Å; Y155-W164 AromaticContact CD2-CZ3 3.44Å; Y155-W164 HydrophobicContact CD2-CZ3 3.44Å; Y155-W164 VanDerWaalsContact CD2-CZ3 3.44Å; Y155-W164 HydrophobicContact CE2-CH2 4.22Å; Y155-W164 HydrophobicContact CE2-CZ2 4.48Å; Y155-W164 HydrophobicContact CE2-CZ3 4.28Å; Y155-W164 HydrophobicContact CG-CZ3 4.15Å |
| 156 | G | 85.1 | Confident | 76.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | -175.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | W162 G163 | G156-W162 VanDerWaalsContact C-CE3 3.43Å; G156-W162 CarbonylContact O-C 3.49Å; G156-W162 VanDerWaalsContact O-CA 3.32Å; G156-W162 WeakPolarHBondContact O-CA 3.42Å; G156-G163 PolarHBondContact N-O 3.47Å; G156-G163 PolarHBondContact O-N 2.95Å |
| 157 | T | 80.2 | Confident | 77.4 | Confident | 16 Ų | 16 | 46.6 Ų | 46.6 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 146.4 | 178.4 | 177.9 | 0 | 0 | 0 | 0 | 112.4 | R95 R159 R161 W162 Y165 | R95-T157 HydrophobicContact CB-CG2 3.73Å; R95-T157 HydrophobicContact CG-CG2 4.25Å; R95-T157 WeakPolarHBondContact O-CG2 3.42Å; T157-R159 VanDerWaalsContact C-N 3.27Å; T157-R159 PolarHBondContact OG1-N 3.16Å; T157-R161 VanDerWaalsContact CA-O 3.24Å; T157-R161 WeakPolarHBondContact CA-O 3.42Å; T157-R161 WeakPolarHBondContact CB-O 3.44Å; T157-R161 PolarHBondContact OG1-O 2.92Å; T157-W162 HydrophobicContact CG2-CD2 4.36Å; T157-W162 HydrophobicContact CG2-CE3 4.45Å; T157-W162 HydrophobicContact CG2-CH2 4.04Å; T157-W162 HydrophobicContact CG2-CZ2 3.96Å; T157-W162 HydrophobicContact CG2-CZ3 4.29Å; T157-Y165 PolarHBondContact O-OH 2.79Å |
| 158 | D | 71.7 | Confident | 77.6 | Confident | 51 Ų | 51 | 45.3 Ų | 45.3 | 27% | 0.273 | 21% | 0.21 | S | C | . | . | trans | -89.1 | 13.2 | 168.8 | 68.2 | -4.1 | 0 | 0 | 0 | 113.1 | L134 N160 R161 Y165 | L134-D158 HydrophobicContact CD1-CB 4.11Å; L134-D158 HydrophobicContact CD2-CB 4.16Å; L134-D158 WeakPolarHBondContact CD2-OD2 3.29Å; D158-N160 VanDerWaalsContact C-N 3.33Å; D158-N160 WeakPolarHBondContact OD1-CA 3.42Å; D158-N160 PolarHBondContact OD1-N 2.94Å; D158-R161 PolarHBondContact N-O 3.44Å; D158-R161 PolarHBondContact OD1-N 3.36Å; D158-R161 IonicContact OD2-NE 3.52Å; D158-Y165 VanDerWaalsContact CA-OH 3.28Å; D158-Y165 WeakPolarHBondContact CA-OH 2.98Å; D158-Y165 WeakPolarHBondContact CB-OH 3.48Å; D158-Y165 PolarHBondContact N-OH 2.92Å | ||
| 159 | R | 62.3 | Low | 77.3 | Confident | 92 Ų | 92 | 40.6 Ų | 40.6 | 35% | 0.347 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 85.9 | -21.9 | -170.3 | -51.6 | 172.5 | -178.4 | -164.1 | -2.1 | 115.1 | T157 | T157-R159 VanDerWaalsContact C-N 3.27Å; T157-R159 PolarHBondContact OG1-N 3.16Å |
| 160 | N | 64.4 | Low | 76.9 | Confident | 89 Ų | 89 | 42.6 Ų | 42.6 | 48% | 0.476 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -105.9 | -41.4 | -177.6 | -64 | -23.4 | 0 | 0 | 0 | 112 | D158 T487 | D158-N160 VanDerWaalsContact C-N 3.33Å; D158-N160 WeakPolarHBondContact OD1-CA 3.42Å; D158-N160 PolarHBondContact OD1-N 2.94Å; N160-T487 PolarHBondContact ND2-OG1 2.84Å; N160-T487 PolarHBondContact OD1-OG1 3.13Å |
| 161 | R | 76 | Confident | 76.4 | Confident | 108 Ų | 108 | 40 Ų | 40 | 41% | 0.408 | 21% | 0.211 | S | C | . | . | trans | -139.9 | 156.2 | 179.9 | 64.3 | -173.9 | -179.2 | 147.7 | 9.6 | 111.1 | H131 W133 L134 T157 D158 | H131-R161 PolarHBondContact O-NH1 3.47Å; H131-R161 PolarHBondContact O-NH2 3.19Å; W133-R161 PolarHBondContact O-NH2 3.26Å; L134-R161 HydrophobicContact CD2-CG 3.89Å; L134-R161 VanDerWaalsContact CD2-NE 3.31Å; T157-R161 VanDerWaalsContact CA-O 3.24Å; T157-R161 WeakPolarHBondContact CA-O 3.42Å; T157-R161 WeakPolarHBondContact CB-O 3.44Å; T157-R161 PolarHBondContact OG1-O 2.92Å; D158-R161 PolarHBondContact N-O 3.44Å; D158-R161 PolarHBondContact OD1-N 3.36Å; D158-R161 IonicContact OD2-NE 3.52Å | ||
| 162 | W | 84.1 | Confident | 75.9 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 152.1 | 169.8 | -70.7 | 86.2 | 0 | 0 | 0 | 109.6 | H81 A85 L88 N89 A92 Y155 G156 T157 | H81-W162 PolarHBondContact CE1-O 3.39Å; A85-W162 HydrophobicContact CB-CB 3.8Å; A85-W162 HydrophobicContact CB-CG 3.8Å; A85-W162 PolarHBondContact O-NE1 2.59Å; L88-W162 HydrophobicContact CB-CD2 4.27Å; L88-W162 HydrophobicContact CB-CE3 4.29Å; L88-W162 HydrophobicContact CB-CH2 3.55Å; L88-W162 HydrophobicContact CB-CZ2 3.47Å; L88-W162 VanDerWaalsContact CB-CZ2 3.47Å; L88-W162 HydrophobicContact CB-CZ3 3.96Å; L88-W162 HydrophobicContact CD1-CD2 4.34Å; L88-W162 HydrophobicContact CD1-CE3 3.71Å; L88-W162 HydrophobicContact CD1-CH2 3.97Å; L88-W162 HydrophobicContact CD1-CZ3 3.5Å; L88-W162 VanDerWaalsContact CD1-CZ3 3.5Å; L88-W162 HydrophobicContact CG-CH2 4.28Å; L88-W162 HydrophobicContact CG-CZ3 4.3Å; N89-W162 PolarHBondContact OD1-NE1 3.01Å; A92-W162 HydrophobicContact CB-CH2 3.8Å; A92-W162 HydrophobicContact CB-CZ2 4.17Å; Y155-W162 AromaticContact CD1-CE3 3.86Å; Y155-W162 HydrophobicContact CD1-CE3 3.86Å; Y155-W162 HydrophobicContact CD1-CZ3 4.48Å; Y155-W162 HydrophobicContact CE1-CB 3.83Å; Y155-W162 HydrophobicContact CE1-CD2 4.17Å; Y155-W162 AromaticContact CE1-CE3 3.72Å; Y155-W162 HydrophobicContact CE1-CE3 3.72Å; Y155-W162 HydrophobicContact CE1-CG 4.26Å; Y155-W162 HydrophobicContact CE2-CB 4.4Å; Y155-W162 WeakPolarHBondContact OH-CB 3.19Å; G156-W162 VanDerWaalsContact C-CE3 3.43Å; G156-W162 CarbonylContact O-C 3.49Å; G156-W162 VanDerWaalsContact O-CA 3.32Å; G156-W162 WeakPolarHBondContact O-CA 3.42Å; T157-W162 HydrophobicContact CG2-CD2 4.36Å; T157-W162 HydrophobicContact CG2-CE3 4.45Å; T157-W162 HydrophobicContact CG2-CH2 4.04Å; T157-W162 HydrophobicContact CG2-CZ2 3.96Å; T157-W162 HydrophobicContact CG2-CZ3 4.29Å |
| 163 | G | 87.4 | Confident | 75.5 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.1 | -170.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L132 Y155 G156 | L132-G163 CarbonylContact O-C 3.55Å; L132-G163 WeakPolarHBondContact O-CA 3.25Å; Y155-G163 WeakPolarHBondContact CA-O 3.45Å; Y155-G163 WeakPolarHBondContact CD2-O 3.49Å; G156-G163 PolarHBondContact N-O 3.47Å; G156-G163 PolarHBondContact O-N 2.95Å |
| 164 | W | 86.3 | Confident | 75.2 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 128.4 | -174.9 | -50.3 | 117.6 | 0 | 0 | 0 | 111.8 | I75 T101 W115 L132 W133 L134 L153 Y155 | I75-W164 HydrophobicContact CB-CH2 3.86Å; I75-W164 HydrophobicContact CB-CZ2 3.75Å; I75-W164 HydrophobicContact CD1-CH2 3.28Å; I75-W164 HydrophobicContact CD1-CZ2 3.61Å; I75-W164 HydrophobicContact CD1-CZ3 4.33Å; I75-W164 HydrophobicContact CG1-CH2 3.58Å; I75-W164 HydrophobicContact CG1-CZ2 3.95Å; I75-W164 HydrophobicContact CG2-CZ2 4.33Å; T101-W164 HydrophobicContact CG2-CZ3 3.95Å; W115-W164 AromaticContact CH2-CH2 3.52Å; W115-W164 HydrophobicContact CH2-CH2 3.52Å; W115-W164 AromaticContact CH2-CZ2 3.87Å; W115-W164 HydrophobicContact CH2-CZ2 3.87Å; W115-W164 HydrophobicContact CH2-CZ3 4.01Å; W115-W164 HydrophobicContact CZ2-CH2 4.26Å; W115-W164 HydrophobicContact CZ2-CZ2 4.18Å; L132-W164 VanDerWaalsContact CB-CD1 3.5Å; L132-W164 HydrophobicContact CB-CG 4.48Å; L132-W164 HydrophobicContact CD1-CZ2 4.49Å; L132-W164 PolarHBondContact O-N 2.88Å; W133-W164 HydrophobicContact CD2-CB 4.38Å; W133-W164 HydrophobicContact CE3-CB 4.45Å; L134-W164 PolarHBondContact N-O 2.82Å; L153-W164 HydrophobicContact CB-CE3 4.49Å; L153-W164 HydrophobicContact CD2-CB 4.19Å; Y155-W164 HydrophobicContact CD2-CD2 4.29Å; Y155-W164 AromaticContact CD2-CE3 3.7Å; Y155-W164 HydrophobicContact CD2-CE3 3.7Å; Y155-W164 AromaticContact CD2-CH2 3.8Å; Y155-W164 HydrophobicContact CD2-CH2 3.8Å; Y155-W164 HydrophobicContact CD2-CZ2 4.39Å; Y155-W164 AromaticContact CD2-CZ3 3.44Å; Y155-W164 HydrophobicContact CD2-CZ3 3.44Å; Y155-W164 VanDerWaalsContact CD2-CZ3 3.44Å; Y155-W164 HydrophobicContact CE2-CH2 4.22Å; Y155-W164 HydrophobicContact CE2-CZ2 4.48Å; Y155-W164 HydrophobicContact CE2-CZ3 4.28Å; Y155-W164 HydrophobicContact CG-CZ3 4.15Å |
| 165 | Y | 83.7 | Confident | 75.2 | Confident | 28 Ų | 28 | 41.5 Ų | 41.5 | 11% | 0.11 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 156.9 | 166 | -76 | -86.1 | 0 | 0 | 0 | 110 | L134 D135 V154 T157 D158 | L134-Y165 HydrophobicContact CB-CD1 4.42Å; L134-Y165 HydrophobicContact CB-CD2 4.37Å; L134-Y165 HydrophobicContact CB-CE1 3.94Å; L134-Y165 HydrophobicContact CB-CE2 3.93Å; L134-Y165 HydrophobicContact CD1-CD2 4.1Å; L134-Y165 HydrophobicContact CD1-CE2 3.33Å; L134-Y165 HydrophobicContact CG-CE2 4.24Å; D135-Y165 WeakPolarHBondContact OD1-CD1 3.46Å; D135-Y165 WeakPolarHBondContact OD2-CD1 3.34Å; V154-Y165 PolarHBondContact N-O 2.82Å; V154-Y165 PolarHBondContact O-N 2.92Å; T157-Y165 PolarHBondContact O-OH 2.79Å; D158-Y165 VanDerWaalsContact CA-OH 3.28Å; D158-Y165 WeakPolarHBondContact CA-OH 2.98Å; D158-Y165 WeakPolarHBondContact CB-OH 3.48Å; D158-Y165 PolarHBondContact N-OH 2.92Å |
| 166 | L | 81.3 | Confident | 75.2 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 138.2 | 166.6 | -65.8 | 162.3 | 0 | 0 | 0 | 109.5 | R98 F113 W133 D135 F146 | R98-L166 PolarHBondContact NH1-O 2.77Å; R98-L166 VanDerWaalsContact NH1-O 3.14Å; F113-L166 HydrophobicContact CE1-CD2 4.07Å; F113-L166 HydrophobicContact CE2-CD2 4.07Å; F113-L166 HydrophobicContact CZ-CD2 3.32Å; W133-L166 HydrophobicContact CZ3-CD2 4.32Å; D135-L166 HydrophobicContact CB-CD1 4.18Å; D135-L166 HydrophobicContact CB-CG 4.35Å; D135-L166 PolarHBondContact OD2-N 3.45Å; F146-L166 HydrophobicContact CZ-CD1 3.68Å; F146-L166 HydrophobicContact CZ-CD2 4.5Å |
| 167 | D | 78.6 | Confident | 75.3 | Confident | 9 Ų | 9 | 41.5 Ų | 41.5 | 5% | 0.048 | 22% | 0.217 | C | C | . | . | trans | -60.6 | 147.5 | 179.8 | -166.8 | 17.2 | 0 | 0 | 0 | 111.9 | R150 R152 V154 R173 | R150-D167 WeakPolarHBondContact CG-O 3.38Å; R152-D167 HydrophobicContact CB-CB 3.9Å; R152-D167 PolarHBondContact O-N 2.93Å; V154-D167 HydrophobicContact CG1-CB 3.9Å; D167-R173 IonicContact OD1-CZ 3.46Å; D167-R173 IonicContact OD1-NE 3.52Å; D167-R173 PolarHBondContact OD1-NE 2.77Å; D167-R173 IonicContact OD1-NH2 2.9Å; D167-R173 PolarHBondContact OD1-NH2 3.42Å; D167-R173 VanDerWaalsContact OD1-NH2 3.09Å | ||
| 168 | T | 70.4 | Confident | 75.6 | Confident | 36 Ų | 36 | 42.5 Ų | 42.5 | 22% | 0.221 | 22% | 0.218 | C | C | . | . | trans | -124.3 | 132.9 | 172.7 | 57.6 | 0 | 0 | 0 | 0 | 109.8 | T170 R173 | T168-T170 PolarHBondContact O-N 2.88Å; T168-R173 PolarHBondContact O-NH2 2.85Å; T168-R173 PolarHBondContact OG1-NH2 3.27Å | ||
| 169 | P | 59.7 | Low | 76.1 | Confident | 94 Ų | 94 | 40 Ų | 40 | 61% | 0.61 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 1 | -163.3 | 22.6 | -33.3 | 0 | 0 | 0 | 117 | ||
| 170 | T | 55.2 | Low | 76.9 | Confident | 134 Ų | 134 | 38 Ų | 38 | 82% | 0.822 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | 9.5 | -163.2 | 55.9 | 0 | 0 | 0 | 0 | 116.2 | T168 | T168-T170 PolarHBondContact O-N 2.88Š|
| 171 | A | 58.9 | Low | 77.4 | Confident | 41 Ų | 41 | 35.2 Ų | 35.2 | 34% | 0.339 | 19% | 0.19 | S | C | . | . | trans | -121.6 | 132.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 172 | H | 64.9 | Low | 77 | Confident | 144 Ų | 144 | 32.7 Ų | 32.7 | 67% | 0.667 | 19% | 0.193 | S | C | * | . | trans | -60.1 | 135.6 | 158.2 | -71.3 | -68.8 | 0 | 0 | 0 | 108.5 | ||||
| 173 | R | 74.5 | Confident | 76.3 | Confident | 14 Ų | 14 | 33.4 Ų | 33.4 | 5% | 0.053 | 20% | 0.197 | C | C | . | . | trans | -134.2 | 144.3 | -174.1 | -65.9 | -172.9 | -162.8 | -62.6 | -3.1 | 109.5 | R98 Y100 D167 T168 | R98-R173 WeakPolarHBondContact O-CB 3.24Å; R98-R173 VanDerWaalsContact O-CG 3.31Å; R98-R173 WeakPolarHBondContact O-CG 3.42Å; Y100-R173 HydrophobicContact CD2-CB 3.86Å; Y100-R173 HydrophobicContact CE2-CB 3.65Å; Y100-R173 HydrophobicContact CE2-CG 4.35Å; Y100-R173 HydrophobicContact CG-CB 4.46Å; D167-R173 IonicContact OD1-CZ 3.46Å; D167-R173 IonicContact OD1-NE 3.52Å; D167-R173 PolarHBondContact OD1-NE 2.77Å; D167-R173 IonicContact OD1-NH2 2.9Å; D167-R173 PolarHBondContact OD1-NH2 3.42Å; D167-R173 VanDerWaalsContact OD1-NH2 3.09Å; T168-R173 PolarHBondContact O-NH2 2.85Å; T168-R173 PolarHBondContact OG1-NH2 3.27Å | ||
| 174 | G | 78.5 | Confident | 75.5 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 169.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | F51 W99 Y100 | F51-G174 CarbonylContact O-C 3.54Å; F51-G174 WeakPolarHBondContact O-CA 3.48Å; W99-G174 CarbonylContact C-O 3.49Å; W99-G174 VanDerWaalsContact CA-O 3.32Å; W99-G174 WeakPolarHBondContact CA-O 3.38Å; Y100-G174 PolarHBondContact N-O 2.8Å |
| 175 | H | 87.3 | Confident | 74.6 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 153.6 | 174.6 | 60 | -66 | 0 | 0 | 0 | 109.8 | F51 P55 A61 N64 L72 | F51-H175 WeakPolarHBondContact CB-CE1 3.33Å; F51-H175 WeakPolarHBondContact CB-ND1 3.46Å; F51-H175 AromaticContact CD2-NE2 3.7Å; F51-H175 AromaticContact CG-CE1 3.68Å; F51-H175 AromaticContact CG-NE2 3.75Å; F51-H175 PolarHBondContact N-O 2.02Å; F51-H175 PolarHBondContact O-N 2.84Å; P55-H175 VanDerWaalsContact CD-ND1 3.26Å; P55-H175 WeakPolarHBondContact CD-ND1 3.2Å; P55-H175 VanDerWaalsContact CG-CE1 3.41Å; P55-H175 WeakPolarHBondContact CG-CE1 3.47Å; P55-H175 WeakPolarHBondContact CG-ND1 3.33Å; A61-H175 HydrophobicContact CB-CB 3.72Å; A61-H175 PolarHBondContact O-CD2 2.92Å; N64-H175 WeakPolarHBondContact CB-NE2 3.48Å; N64-H175 PolarHBondContact ND2-CE1 3.12Å; N64-H175 PolarHBondContact ND2-NE2 2.8Å; L72-H175 HydrophobicContact CD2-CB 4.02Å |
| 176 | I | 88.8 | Confident | 73.8 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 126.2 | -177.8 | -53 | 168.6 | 0 | 0 | 0 | 106.7 | S49 F50 L72 L73 V84 L88 W99 Y100 | S49-I176 WeakPolarHBondContact O-CA 3.31Å; F50-I176 HydrophobicContact CD1-CD1 3.97Å; F50-I176 HydrophobicContact CD1-CG1 3.84Å; F50-I176 HydrophobicContact CD1-CG2 4.08Å; F50-I176 HydrophobicContact CE1-CD1 3.94Å; F50-I176 HydrophobicContact CE1-CG1 4.21Å; F50-I176 HydrophobicContact CE1-CG2 3.99Å; F50-I176 HydrophobicContact CZ-CG2 4.34Å; L72-I176 CarbonylContact C-O 3.47Å; L73-I176 HydrophobicContact CB-CB 3.74Å; L73-I176 HydrophobicContact CB-CG2 3.89Å; L73-I176 WeakPolarHBondContact CB-O 3.22Å; L73-I176 HydrophobicContact CD1-CG2 4.23Å; L73-I176 HydrophobicContact CD2-CB 3.99Å; L73-I176 HydrophobicContact CD2-CD1 3.69Å; L73-I176 HydrophobicContact CD2-CG1 4.43Å; L73-I176 HydrophobicContact CD2-CG2 3.97Å; L73-I176 HydrophobicContact CG-CB 4.4Å; L73-I176 HydrophobicContact CG-CG2 4.25Å; L73-I176 PolarHBondContact N-O 2.78Å; V84-I176 HydrophobicContact CG1-CD1 3.95Å; L88-I176 HydrophobicContact CD1-CD1 4.14Å; W99-I176 HydrophobicContact CB-CD1 3.96Å; W99-I176 HydrophobicContact CB-CG1 4.18Å; W99-I176 HydrophobicContact CD2-CD1 4.3Å; W99-I176 HydrophobicContact CD2-CG1 4.23Å; W99-I176 HydrophobicContact CE3-CD1 4.25Å; W99-I176 HydrophobicContact CE3-CG1 3.7Å; W99-I176 HydrophobicContact CG-CD1 4.19Å; W99-I176 HydrophobicContact CG-CG1 4.46Å; W99-I176 HydrophobicContact CZ3-CG1 4.42Å; Y100-I176 PolarHBondContact O-N 3.35Å |
| 177 | C | 87.5 | Confident | 73.1 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 146.7 | 176.5 | -55.8 | 0 | 0 | 0 | 0 | 109.9 | W40 Y48 S49 F51 C65 L71 | W40-C177 HydrophobicContact CH2-CB 3.59Å; W40-C177 HydrophobicContact CZ2-CB 4.34Å; W40-C177 HydrophobicContact CZ3-CB 4.15Å; Y48-C177 CarbonylContact C-O 3.55Å; Y48-C177 VanDerWaalsContact CA-O 3.26Å; Y48-C177 WeakPolarHBondContact CA-O 3.38Å; S49-C177 PolarHBondContact N-O 2.85Å; S49-C177 PolarHBondContact O-N 2.73Å; F51-C177 HydrophobicContact CE2-CB 4.04Å; F51-C177 WeakPolarHBondContact CE2-SG 3.26Å; C65-C177 WeakPolarHBondContact CA-SG 3.26Å; C65-C177 HydrophobicContact CB-CB 3.75Å; C65-C177 WeakPolarHBondContact CB-SG 3.22Å; C65-C177 WeakPolarHBondContact SG-CA 3.25Å; C65-C177 WeakPolarHBondContact SG-CB 3.38Å; C65-C177 CovalentContact SG-SG 2.03Å; C65-C177 PolarHBondContact SG-SG 3.23Å; L71-C177 CarbonylContact O-C 3.59Å; L71-C177 VanDerWaalsContact O-CA 3.29Å; L71-C177 WeakPolarHBondContact O-CA 3.24Å |
| 178 | R | 86.7 | Confident | 72.4 | Confident | 37 Ų | 37 | 37.5 Ų | 37.5 | 14% | 0.14 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 135.3 | 177.8 | 178.5 | -174 | 174.7 | -153.7 | 10.5 | 109.4 | N46 C47 Y48 G70 L71 D76 E80 | N46-R178 HydrophobicContact CB-CG 4.1Å; N46-R178 PolarHBondContact ND2-NE 2.77Å; N46-R178 PolarHBondContact ND2-NH2 2.82Å; C47-R178 CarbonylContact O-C 3.56Å; C47-R178 WeakPolarHBondContact O-CA 3.35Å; Y48-R178 HydrophobicContact CD1-CB 4.1Å; Y48-R178 HydrophobicContact CD1-CG 4.15Å; Y48-R178 HydrophobicContact CE1-CB 4.01Å; Y48-R178 HydrophobicContact CE1-CG 3.66Å; Y48-R178 PolarHBondContact OH-NE 2.85Å; G70-R178 CarbonylContact C-O 3.51Å; G70-R178 VanDerWaalsContact CA-O 3.31Å; G70-R178 WeakPolarHBondContact CA-O 3.42Å; L71-R178 PolarHBondContact N-O 2.84Å; L71-R178 PolarHBondContact O-N 2.94Å; D76-R178 IonicContact OD2-CZ 3.2Å; D76-R178 IonicContact OD2-NH1 2.89Å; D76-R178 PolarHBondContact OD2-NH1 2.96Å; D76-R178 IonicContact OD2-NH2 3.69Å; D76-R178 PolarHBondContact OD2-NH2 3.36Å; D76-R178 VanDerWaalsContact OD2-NH2 3.15Å; E80-R178 IonicContact OE1-CZ 3.6Å; E80-R178 IonicContact OE1-NE 3.57Å |
| 179 | A | 81.8 | Confident | 72.2 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 142.4 | 174 | 0 | 0 | 0 | 0 | 0 | 109.8 | W40 N46 C47 A184 | W40-A179 HydrophobicContact CH2-CB 4.43Å; W40-A179 HydrophobicContact CZ3-CB 3.93Å; N46-A179 CarbonylContact C-O 3.56Å; N46-A179 VanDerWaalsContact CA-O 3.31Å; N46-A179 WeakPolarHBondContact CA-O 3.45Å; C47-A179 PolarHBondContact N-O 2.76Å; C47-A179 PolarHBondContact O-N 2.93Å; A179-A184 HydrophobicContact CB-CB 3.98Å |
| 180 | P | 79.2 | Confident | 72.5 | Confident | 48 Ų | 48 | 37.4 Ų | 37.4 | 31% | 0.312 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 143.3 | 168.2 | -24.6 | 34.1 | 0 | 0 | 0 | 110.8 | A45 N46 A182 N183 A184 | A45-P180 WeakPolarHBondContact O-CA 3.27Å; N46-P180 WeakPolarHBondContact OD1-CA 3.37Å; P180-A182 VanDerWaalsContact C-N 3.26Å; P180-A182 PolarHBondContact O-N 3.41Å; P180-N183 HydrophobicContact CB-CB 4.24Å; P180-N183 HydrophobicContact CG-CB 4.42Å; P180-N183 CarbonylContact O-C 3.56Å; P180-N183 WeakPolarHBondContact O-CA 3.42Å; P180-N183 PolarHBondContact O-N 3.46Å; P180-A184 PolarHBondContact O-N 2.84Å |
| 181 | V | 74.5 | Confident | 73.1 | Confident | 32 Ų | 32 | 33 Ų | 33 | 19% | 0.194 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -51.4 | -45.9 | -177.1 | 164.3 | 0 | 0 | 0 | 0 | 112.1 | N35 A45 N183 A184 N185 | N35-V181 HydrophobicContact CB-CG1 4.34Å; N35-V181 WeakPolarHBondContact O-CG1 3.39Å; A45-V181 PolarHBondContact O-N 3.26Å; V181-N183 VanDerWaalsContact C-N 3.32Å; V181-N183 PolarHBondContact O-N 3.28Å; V181-A184 PolarHBondContact O-N 2.85Å; V181-N185 PolarHBondContact O-N 2.73Å; V181-N185 VanDerWaalsContact O-N 3.11Å; V181-N185 PolarHBondContact O-ND2 3.28Å |
| 182 | A | 67.7 | Low | 73.8 | Confident | 55 Ų | 55 | 34.1 Ų | 34.1 | 46% | 0.455 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59 | -42.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P180 Q186 | P180-A182 VanDerWaalsContact C-N 3.26Å; P180-A182 PolarHBondContact O-N 3.41Å; A182-Q186 VanDerWaalsContact O-CB 3.27Å; A182-Q186 WeakPolarHBondContact O-CB 3.41Å; A182-Q186 WeakPolarHBondContact O-CG 3.2Å; A182-Q186 PolarHBondContact O-N 2.83Å |
| 183 | N | 70 | Confident | 74.3 | Confident | 22 Ų | 22 | 28.9 Ų | 28.9 | 12% | 0.118 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -74.2 | -40.7 | -178.4 | -65.7 | 5.7 | 0 | 0 | 0 | 111.5 | P180 V181 N185 Q186 L187 G691 | P180-N183 HydrophobicContact CB-CB 4.24Å; P180-N183 HydrophobicContact CG-CB 4.42Å; P180-N183 CarbonylContact O-C 3.56Å; P180-N183 WeakPolarHBondContact O-CA 3.42Å; P180-N183 PolarHBondContact O-N 3.46Å; V181-N183 VanDerWaalsContact C-N 3.32Å; V181-N183 PolarHBondContact O-N 3.28Å; N183-N185 VanDerWaalsContact C-N 3.32Å; N183-N185 PolarHBondContact O-N 2.91Å; N183-Q186 PolarHBondContact O-N 3.11Å; N183-L187 HydrophobicContact CB-CD1 3.9Å; N183-L187 WeakPolarHBondContact O-CB 3.19Å; N183-L187 WeakPolarHBondContact O-CG 3.27Å; N183-L187 PolarHBondContact O-N 2.93Å; N183-G691 PolarHBondContact ND2-O 3.27Å |
| 184 | A | 69 | Low | 74.4 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.7 | -46.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | P37 C47 A179 P180 V181 L188 | P37-A184 HydrophobicContact CG-CB 4.15Å; P37-A184 WeakPolarHBondContact CG-O 3.21Å; C47-A184 HydrophobicContact CB-CB 3.74Å; A179-A184 HydrophobicContact CB-CB 3.98Å; P180-A184 PolarHBondContact O-N 2.84Å; V181-A184 PolarHBondContact O-N 2.85Å; A184-L188 WeakPolarHBondContact O-CB 3.12Å; A184-L188 PolarHBondContact O-N 3.25Å |
| 185 | N | 68.2 | Low | 74.2 | Confident | 58 Ų | 58 | 29.3 Ų | 29.3 | 31% | 0.31 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -70.6 | -34 | 179.6 | -68.1 | -24.8 | 0 | 0 | 0 | 113.3 | N35 P37 V181 N183 Q661 | N35-N185 PolarHBondContact O-ND2 3.22Å; N35-N185 PolarHBondContact O-OD1 2.95Å; P37-N185 WeakPolarHBondContact CD-OD1 3.5Å; P37-N185 WeakPolarHBondContact CG-OD1 3.35Å; V181-N185 PolarHBondContact O-N 2.73Å; V181-N185 VanDerWaalsContact O-N 3.11Å; V181-N185 PolarHBondContact O-ND2 3.28Å; N183-N185 VanDerWaalsContact C-N 3.32Å; N183-N185 PolarHBondContact O-N 2.91Å; N185-Q661 PolarHBondContact O-NE2 2.91Å |
| 186 | Q | 67.1 | Low | 73.8 | Confident | 51 Ų | 51 | 30.1 Ų | 30.1 | 24% | 0.238 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -86 | -28.2 | -177.6 | -72.8 | 176.8 | 2.1 | 0 | 0 | 114.3 | A182 N183 V657 S704 N706 | A182-Q186 VanDerWaalsContact O-CB 3.27Å; A182-Q186 WeakPolarHBondContact O-CB 3.41Å; A182-Q186 WeakPolarHBondContact O-CG 3.2Å; A182-Q186 PolarHBondContact O-N 2.83Å; N183-Q186 PolarHBondContact O-N 3.11Å; Q186-V657 HydrophobicContact CG-CG1 4.42Å; Q186-S704 WeakPolarHBondContact O-CB 3.45Å; Q186-S704 PolarHBondContact O-OG 2.74Å; Q186-N706 PolarHBondContact O-ND2 2.73Å |
| 187 | L | 66 | Low | 73.2 | Confident | 5 Ų | 5 | 31.7 Ų | 31.7 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -96.4 | -27.1 | -173.2 | -64.7 | 170.7 | 0 | 0 | 0 | 113.4 | G69 N183 L686 A693 L702 S704 | G69-L187 WeakPolarHBondContact O-CD1 3.31Å; N183-L187 HydrophobicContact CB-CD1 3.9Å; N183-L187 WeakPolarHBondContact O-CB 3.19Å; N183-L187 WeakPolarHBondContact O-CG 3.27Å; N183-L187 PolarHBondContact O-N 2.93Å; L187-L686 HydrophobicContact CD1-CD2 3.86Å; L187-A693 HydrophobicContact CD2-CB 3.9Å; L187-L702 HydrophobicContact CD2-CB 4.25Å; L187-L702 HydrophobicContact CD2-CD1 3.97Å; L187-L702 HydrophobicContact CD2-CD2 3.76Å; L187-L702 HydrophobicContact CD2-CG 4.21Å; L187-S704 WeakPolarHBondContact O-CB 3.38Å; L187-S704 PolarHBondContact O-N 2.64Å |
| 188 | L | 65.1 | Low | 72.5 | Confident | 14 Ų | 14 | 33.5 Ų | 33.5 | 7% | 0.073 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -84.6 | 134.1 | 179.7 | -73.6 | 166.6 | 0 | 0 | 0 | 111 | P37 W40 H68 A184 S704 | P37-L188 HydrophobicContact CB-CD1 4.15Å; P37-L188 HydrophobicContact CG-CB 4.41Å; P37-L188 HydrophobicContact CG-CD1 3.87Å; W40-L188 HydrophobicContact CD2-CD1 4.31Å; W40-L188 HydrophobicContact CZ2-CD1 4.04Å; H68-L188 VanDerWaalsContact CA-CD2 3.45Å; H68-L188 HydrophobicContact CB-CD2 3.75Å; H68-L188 WeakPolarHBondContact O-CD1 3.21Å; H68-L188 VanDerWaalsContact O-CD2 3.23Å; H68-L188 WeakPolarHBondContact O-CD2 3.24Å; H68-L188 VanDerWaalsContact O-CG 3.27Å; H68-L188 WeakPolarHBondContact O-CG 3.5Å; A184-L188 WeakPolarHBondContact O-CB 3.12Å; A184-L188 PolarHBondContact O-N 3.25Å; L188-S704 WeakPolarHBondContact O-CB 3.46Å |
| 189 | P | 64.8 | Low | 71.5 | Confident | 77 Ų | 77 | 36.7 Ų | 36.7 | 50% | 0.5 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -62.1 | 147.8 | 167.2 | 26.1 | -30.9 | 0 | 0 | 0 | 109.5 | S191 | P189-S191 PolarHBondContact O-N 3.2Š|
| 190 | L | 66.6 | Low | 70.3 | Confident | 52 Ų | 52 | 44.1 Ų | 44.1 | 27% | 0.272 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 125 | 177.2 | -151.8 | 103.6 | 0 | 0 | 0 | 109.8 | Y196 Q661 | L190-Y196 HydrophobicContact CD2-CD2 4.43Å; L190-Y196 HydrophobicContact CD2-CE2 4.37Å; L190-Q661 HydrophobicContact CD1-CB 4.19Å; L190-Q661 VanDerWaalsContact CD1-OE1 3.24Å |
| 191 | S | 67 | Low | 69 | Low | 41 Ų | 41 | 45 Ų | 45 | 29% | 0.287 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 138.5 | 175.2 | 47.2 | 0 | 0 | 0 | 0 | 110.2 | D38 P189 S193 | D38-S191 VanDerWaalsContact CB-OG 3.31Å; D38-S191 WeakPolarHBondContact CB-OG 3.17Å; D38-S191 WeakPolarHBondContact OD2-CB 3.05Å; D38-S191 PolarHBondContact OD2-OG 3.34Å; P189-S191 PolarHBondContact O-N 3.2Å; S191-S193 VanDerWaalsContact C-N 3.28Å; S191-S193 PolarHBondContact O-N 3.12Å |
| 192 | K | 74.9 | Confident | 68 | Low | 64 Ų | 64 | 49.4 Ų | 49.4 | 28% | 0.278 | 28% | 0.284 | S | S | . | . | trans | -79.4 | 83.4 | 172.6 | -69.8 | 176.6 | 178 | 172.8 | 0 | 108.6 | Y196 V545 D547 L634 | K192-Y196 HydrophobicContact CB-CD2 4.2Å; K192-Y196 HydrophobicContact CB-CG 4.3Å; K192-Y196 HydrophobicContact CG-CD1 4.34Å; K192-Y196 HydrophobicContact CG-CD2 3.78Å; K192-Y196 HydrophobicContact CG-CE1 4.31Å; K192-Y196 HydrophobicContact CG-CE2 3.76Å; K192-Y196 HydrophobicContact CG-CG 4.04Å; K192-V545 HydrophobicContact CB-CB 3.88Å; K192-V545 HydrophobicContact CB-CG1 3.91Å; K192-V545 VanDerWaalsContact O-CB 3.28Å; K192-V545 WeakPolarHBondContact O-CB 3.44Å; K192-V545 WeakPolarHBondContact O-CG2 3.06Å; K192-D547 IonicContact NZ-OD1 2.75Å; K192-D547 PolarHBondContact NZ-OD1 2.93Å; K192-D547 IonicContact NZ-OD2 3.2Å; K192-D547 PolarHBondContact NZ-OD2 2.85Å; K192-L634 HydrophobicContact CD-CD1 4.18Å | ||
| 193 | S | 75.6 | Confident | 67.3 | Low | 34 Ų | 34 | 56.4 Ų | 56.4 | 24% | 0.238 | 30% | 0.299 | C | S | . | . | trans | -72.4 | 171 | 172.4 | 73.9 | 0 | 0 | 0 | 0 | 111 | S191 A195 Y196 | S191-S193 VanDerWaalsContact C-N 3.28Å; S191-S193 PolarHBondContact O-N 3.12Å; S193-A195 PolarHBondContact O-N 3.39Å; S193-A195 WeakPolarHBondContact OG-CB 3.33Å; S193-A195 PolarHBondContact OG-N 2.99Å; S193-A195 VanDerWaalsContact OG-N 3.12Å; S193-Y196 WeakPolarHBondContact O-CB 3.45Å; S193-Y196 PolarHBondContact O-N 2.88Å | ||
| 194 | L | 75.9 | Confident | 67.1 | Low | 19 Ų | 19 | 56.9 Ų | 56.9 | 10% | 0.099 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -9.4 | 169.3 | -68.3 | 175 | 0 | 0 | 0 | 112.7 | R206 N543 V545 E630 R632 | L194-R206 HydrophobicContact CD1-CB 4.26Å; L194-N543 HydrophobicContact CD1-CB 4.25Å; L194-N543 HydrophobicContact CD2-CB 4.35Å; L194-N543 HydrophobicContact CG-CB 4.34Å; L194-V545 HydrophobicContact CD2-CG2 4Å; L194-E630 HydrophobicContact CD2-CB 4.29Å; L194-E630 HydrophobicContact CD2-CG 4.26Å; L194-R632 PolarHBondContact O-NH1 3Å |
| 195 | A | 74.9 | Confident | 67.5 | Low | 7 Ų | 7 | 58.4 Ų | 58.4 | 6% | 0.058 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -13.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | S193 G197 S198 M204 K642 | S193-A195 PolarHBondContact O-N 3.39Å; S193-A195 WeakPolarHBondContact OG-CB 3.33Å; S193-A195 PolarHBondContact OG-N 2.99Å; S193-A195 VanDerWaalsContact OG-N 3.12Å; A195-G197 PolarHBondContact O-N 2.83Å; A195-S198 WeakPolarHBondContact O-CB 3.08Å; A195-S198 PolarHBondContact O-N 3.08Å; A195-S198 PolarHBondContact O-OG 3.37Å; A195-M204 HydrophobicContact CB-CE 3.39Å; A195-M204 HydrophobicContact CB-CG 4.05Å; A195-M204 HydrophobicContact CB-SD 3.69Å; A195-K642 PolarHBondContact O-NZ 3.19Å |
| 196 | Y | 79.4 | Confident | 68.4 | Low | 17 Ų | 17 | 56.4 Ų | 56.4 | 7% | 0.067 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 125.7 | -170 | -161.7 | -83.8 | 0 | 0 | 0 | 111.1 | L190 K192 S193 L634 E663 G664 | L190-Y196 HydrophobicContact CD2-CD2 4.43Å; L190-Y196 HydrophobicContact CD2-CE2 4.37Å; K192-Y196 HydrophobicContact CB-CD2 4.2Å; K192-Y196 HydrophobicContact CB-CG 4.3Å; K192-Y196 HydrophobicContact CG-CD1 4.34Å; K192-Y196 HydrophobicContact CG-CD2 3.78Å; K192-Y196 HydrophobicContact CG-CE1 4.31Å; K192-Y196 HydrophobicContact CG-CE2 3.76Å; K192-Y196 HydrophobicContact CG-CG 4.04Å; S193-Y196 WeakPolarHBondContact O-CB 3.45Å; S193-Y196 PolarHBondContact O-N 2.88Å; Y196-L634 HydrophobicContact CD1-CD1 3.39Å; Y196-L634 HydrophobicContact CE1-CD1 3.95Å; Y196-L634 HydrophobicContact CG-CD1 4.13Å; Y196-E663 WeakPolarHBondContact CA-OE1 3.35Å; Y196-E663 HydrophobicContact CD1-CB 4.32Å; Y196-E663 HydrophobicContact CD1-CG 4.47Å; Y196-E663 HydrophobicContact CD2-CG 4.05Å; Y196-E663 HydrophobicContact CE1-CB 3.83Å; Y196-E663 HydrophobicContact CE1-CG 4.26Å; Y196-E663 HydrophobicContact CE2-CB 4.18Å; Y196-E663 HydrophobicContact CE2-CG 3.8Å; Y196-E663 HydrophobicContact CG-CG 4.41Å; Y196-E663 VanDerWaalsContact OH-CA 3.31Å; Y196-E663 WeakPolarHBondContact OH-CA 3.27Å; Y196-G664 PolarHBondContact OH-N 2.96Å; Y196-G664 PolarHBondContact OH-O 2.76Å |
| 197 | G | 75.7 | Confident | 69.5 | Low | 33 Ų | 33 | 54 Ų | 54 | 34% | 0.34 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | -5.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | A195 E663 | A195-G197 PolarHBondContact O-N 2.83Å; G197-E663 VanDerWaalsContact CA-OE2 3.25Å; G197-E663 WeakPolarHBondContact CA-OE2 3.4Å; G197-E663 VanDerWaalsContact N-CD 3.33Å; G197-E663 PolarHBondContact N-OE1 2.58Å; G197-E663 PolarHBondContact N-OE2 2.88Å |
| 198 | S | 72.8 | Confident | 70.7 | Confident | 38 Ų | 38 | 53.9 Ų | 53.9 | 27% | 0.266 | 29% | 0.29 | S | S | . | . | trans | -79.9 | 147.2 | 175.6 | 78.8 | 0 | 0 | 0 | 0 | 112.9 | A195 K642 | A195-S198 WeakPolarHBondContact O-CB 3.08Å; A195-S198 PolarHBondContact O-N 3.08Å; A195-S198 PolarHBondContact O-OG 3.37Å; S198-K642 WeakPolarHBondContact O-CE 3.4Å; S198-K642 PolarHBondContact O-NZ 2.78Å | ||
| 199 | D | 64.2 | Low | 71.9 | Confident | 103 Ų | 103 | 54.2 Ų | 54.2 | 55% | 0.551 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -75.2 | -23.8 | 178.7 | -78.5 | -47 | 0 | 0 | 0 | 113.3 | R641 | D199-R641 IonicContact OD1-NH1 2.67Å; D199-R641 PolarHBondContact OD1-NH1 3.11Å |
| 200 | F | 57 | Low | 73.2 | Confident | 157 Ų | 157 | 51.2 Ų | 51.2 | 69% | 0.689 | 27% | 0.272 | S | S | * | . | trans | -137.4 | 114 | -174.4 | -59.9 | -79 | 0 | 0 | 0 | 112.1 | N202 | F200-N202 VanDerWaalsContact C-N 3.27Å; F200-N202 PolarHBondContact O-N 2.88Å | ||
| 201 | P | 53 | Low | 74.2 | Confident | 66 Ų | 66 | 52.2 Ų | 52.2 | 43% | 0.429 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -65.3 | -27.8 | -178.5 | 23.2 | -31.2 | 0 | 0 | 0 | 113.3 | R203 M204 | P201-R203 PolarHBondContact O-N 2.69Å; P201-R203 VanDerWaalsContact O-N 3.17Å; P201-M204 WeakPolarHBondContact O-CG 3.23Å |
| 202 | N | 52.8 | Low | 75.2 | Confident | 125 Ų | 125 | 51.5 Ų | 51.5 | 67% | 0.668 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -76.4 | -3.3 | -173.2 | -66.8 | -3 | 0 | 0 | 0 | 114.7 | F200 | F200-N202 VanDerWaalsContact C-N 3.27Å; F200-N202 PolarHBondContact O-N 2.88Å |
| 203 | R | 54.2 | Low | 76.1 | Confident | 202 Ų | 202 | 50.6 Ų | 50.6 | 76% | 0.762 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -131.2 | 54.2 | 174.3 | -68.1 | -173.6 | -179.5 | -175.4 | 0.6 | 110.1 | P201 A205 | P201-R203 PolarHBondContact O-N 2.69Å; P201-R203 VanDerWaalsContact O-N 3.17Å; R203-A205 PolarHBondContact O-N 2.67Å |
| 204 | M | 65.2 | Low | 76.9 | Confident | 31 Ų | 31 | 49 Ų | 49 | 15% | 0.153 | 26% | 0.259 | C | S | . | . | trans | -57.1 | 112.6 | 174.5 | -70 | -164.9 | -158.1 | 0 | 0 | 109.5 | W32 A195 P201 N238 | W32-M204 HydrophobicContact CH2-CE 4.15Å; W32-M204 HydrophobicContact CH2-SD 4.43Å; W32-M204 HydrophobicContact CZ3-CE 4.21Å; A195-M204 HydrophobicContact CB-CE 3.39Å; A195-M204 HydrophobicContact CB-CG 4.05Å; A195-M204 HydrophobicContact CB-SD 3.69Å; P201-M204 WeakPolarHBondContact O-CG 3.23Å; M204-N238 WeakPolarHBondContact O-CB 3.47Å; M204-N238 PolarHBondContact O-ND2 3.28Å | ||
| 205 | A | 77.5 | Confident | 77.7 | Confident | 32 Ų | 32 | 54.6 Ų | 54.6 | 26% | 0.264 | 28% | 0.283 | S | S | . | . | trans | -81 | 127.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | R203 N238 Y308 R632 | R203-A205 PolarHBondContact O-N 2.67Å; A205-N238 WeakPolarHBondContact CA-O 3.33Å; A205-Y308 HydrophobicContact CB-CE2 3.95Å; A205-Y308 WeakPolarHBondContact CB-OH 3.45Å; A205-R632 PolarHBondContact O-NH2 2.73Å | ||
| 206 | R | 86.8 | Confident | 78.4 | Confident | 16 Ų | 16 | 55.5 Ų | 55.5 | 6% | 0.06 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 155.4 | -168.4 | 70.3 | -176.6 | -59.6 | 174.7 | 7.9 | 111.5 | C26 D29 L194 N238 N306 Y308 | C26-R206 PolarHBondContact SG-NH1 2.9Å; C26-R206 VanDerWaalsContact SG-NH1 3.38Å; C26-R206 PolarHBondContact SG-NH2 3.26Å; D29-R206 IonicContact OD1-CZ 3.48Å; D29-R206 IonicContact OD1-NH1 3.45Å; D29-R206 PolarHBondContact OD1-NH1 2.67Å; D29-R206 IonicContact OD1-NH2 2.7Å; D29-R206 PolarHBondContact OD1-NH2 2.93Å; D29-R206 IonicContact OD2-CZ 3.93Å; D29-R206 IonicContact OD2-NH1 3.19Å; D29-R206 PolarHBondContact OD2-NH1 2.97Å; D29-R206 IonicContact OD2-NH2 2.82Å; L194-R206 HydrophobicContact CD1-CB 4.26Å; R206-N238 PolarHBondContact N-O 2.91Å; R206-N238 PolarHBondContact O-N 3.39Å; R206-N306 PolarHBondContact O-ND2 3.32Å; R206-Y308 VanDerWaalsContact O-CD2 3.29Å; R206-Y308 WeakPolarHBondContact O-CD2 3.25Å |
| 207 | G | 89.5 | Confident | 78.8 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 168 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | E630 | G207-E630 PolarHBondContact N-OE2 2.84Å |
| 208 | P | 92.6 | Very high | 79.4 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.013 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 149.2 | 177.7 | 28.9 | -36.5 | 0 | 0 | 0 | 111.2 | N236 P241 A304 N306 I311 M613 | P208-N236 CarbonylContact C-O 3.5Å; P208-N236 VanDerWaalsContact CA-O 3.22Å; P208-N236 WeakPolarHBondContact CA-O 3.23Å; P208-P241 HydrophobicContact CB-CB 4.1Å; P208-P241 HydrophobicContact CB-CG 3.76Å; P208-A304 HydrophobicContact CB-CB 4.17Å; P208-A304 WeakPolarHBondContact CG-O 3.04Å; P208-N306 VanDerWaalsContact CD-OD1 3.31Å; P208-N306 WeakPolarHBondContact CD-OD1 3.29Å; P208-I311 HydrophobicContact CB-CD1 3.94Å; P208-I311 HydrophobicContact CB-CG1 3.9Å; P208-I311 HydrophobicContact CG-CB 4.45Å; P208-I311 HydrophobicContact CG-CD1 4.24Å; P208-I311 HydrophobicContact CG-CG1 3.8Å; P208-I311 HydrophobicContact CG-CG2 4.09Å; P208-I311 WeakPolarHBondContact O-CD1 3.47Å; P208-M613 HydrophobicContact CG-CG 4.34Å; P208-M613 VanDerWaalsContact O-CE 3.26Å; P208-M613 WeakPolarHBondContact O-CE 3.19Å |
| 209 | C | 90.6 | Very high | 80 | Confident | 21 Ų | 21 | 54.1 Ų | 54.1 | 14% | 0.142 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 138.5 | 171.5 | 71.9 | 0 | 0 | 0 | 0 | 108.9 | C26 I211 A235 N236 | C26-C209 VanDerWaalsContact CA-SG 3.5Å; C26-C209 HydrophobicContact CB-CB 3.75Å; C26-C209 WeakPolarHBondContact CB-SG 3.37Å; C26-C209 WeakPolarHBondContact SG-CB 3.46Å; C26-C209 CovalentContact SG-SG 2Å; C26-C209 PolarHBondContact SG-SG 2.73Å; C209-I211 PolarHBondContact O-N 2.77Å; C209-A235 CarbonylContact O-C 3.48Å; C209-A235 WeakPolarHBondContact O-CA 3.38Å; C209-A235 WeakPolarHBondContact O-CB 3.41Å; C209-N236 PolarHBondContact N-O 2.83Å; C209-N236 PolarHBondContact O-N 2.95Å; C209-N236 VanDerWaalsContact SG-CB 3.55Å |
| 210 | F | 90.4 | Very high | 81 | Confident | 13 Ų | 13 | 49.4 Ų | 49.4 | 6% | 0.057 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 129.2 | 176.9 | -72.2 | -67.9 | 0 | 0 | 0 | 111.2 | P27 H213 C233 E234 A235 A304 I311 L312 S313 | P27-F210 VanDerWaalsContact CD-O 3.27Å; P27-F210 WeakPolarHBondContact CD-O 3.25Å; F210-H213 AromaticContact CD2-CE1 3.51Å; F210-H213 AromaticContact CD2-ND1 3.96Å; F210-H213 AromaticContact CG-CE1 3.78Å; F210-H213 AromaticContact CG-ND1 4Å; F210-C233 WeakPolarHBondContact CE1-SG 3.38Å; F210-E234 CarbonylContact C-O 3.47Å; F210-E234 WeakPolarHBondContact CA-O 2.92Å; F210-A235 HydrophobicContact CD1-CB 3.99Å; F210-A235 HydrophobicContact CE1-CB 4.24Å; F210-A304 HydrophobicContact CE1-CB 3.78Å; F210-A304 HydrophobicContact CZ-CB 3.9Å; F210-I311 HydrophobicContact CD2-CD1 3.5Å; F210-I311 HydrophobicContact CD2-CG1 4.13Å; F210-I311 HydrophobicContact CE2-CB 4.15Å; F210-I311 HydrophobicContact CE2-CD1 3.46Å; F210-I311 VanDerWaalsContact CE2-CD1 3.46Å; F210-I311 HydrophobicContact CE2-CG1 3.54Å; F210-I311 HydrophobicContact CG-CD1 4.13Å; F210-I311 HydrophobicContact CZ-CD1 4.08Å; F210-I311 HydrophobicContact CZ-CG1 3.93Å; F210-L312 WeakPolarHBondContact CE2-O 3.09Å; F210-S313 VanDerWaalsContact CE2-N 3.26Å |
| 211 | I | 88.1 | Confident | 81.8 | Confident | 74 Ų | 74 | 47.5 Ų | 47.5 | 38% | 0.379 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -43 | 166.1 | -58.2 | 162.3 | 0 | 0 | 0 | 108.7 | C209 E234 N236 | C209-I211 PolarHBondContact O-N 2.77Å; I211-E234 HydrophobicContact CB-CG 4.39Å; I211-E234 HydrophobicContact CD1-CG 4.16Å; I211-E234 PolarHBondContact N-O 3.18Å; I211-N236 HydrophobicContact CD1-CB 3.7Å; I211-N236 HydrophobicContact CG1-CB 3.97Å |
| 212 | A | 89.2 | Confident | 82.7 | Confident | 26 Ų | 26 | 52.5 Ų | 52.5 | 22% | 0.215 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 123.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | E234 | A212-E234 HydrophobicContact CB-CB 3.9Å; A212-E234 PolarHBondContact N-O 2.78Å; A212-E234 PolarHBondContact O-N 3.33Å |
| 213 | H | 92.1 | Very high | 83.6 | Confident | 45 Ų | 45 | 48.4 Ų | 48.4 | 21% | 0.208 | 23% | 0.233 | C | C | . | . | trans | -88.2 | 153.1 | 168.5 | -71.2 | -89.4 | 0 | 0 | 0 | 110.7 | F210 R314 | F210-H213 AromaticContact CD2-CE1 3.51Å; F210-H213 AromaticContact CD2-ND1 3.96Å; F210-H213 AromaticContact CG-CE1 3.78Å; F210-H213 AromaticContact CG-ND1 4Å; H213-R314 HydrophobicContact CB-CG 4Å; H213-R314 PolarHBondContact CD2-NH2 3.03Å; H213-R314 PolarHBondContact ND1-N 3.18Å | ||
| 214 | P | 94.1 | Very high | 84 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | trans | -68.5 | 145.1 | 176.5 | 30.9 | -35.7 | 0 | 0 | 0 | 111.8 | L231 R232 W245 R314 A316 | P214-L231 HydrophobicContact CB-CB 4.48Å; P214-R232 WeakPolarHBondContact CA-O 3.33Å; P214-R232 WeakPolarHBondContact CB-O 3.37Å; P214-W245 HydrophobicContact CB-CH2 3.79Å; P214-W245 HydrophobicContact CB-CZ3 4.44Å; P214-W245 HydrophobicContact CG-CH2 4.03Å; P214-W245 HydrophobicContact CG-CZ3 4.4Å; P214-R314 WeakPolarHBondContact CG-O 3.37Å; P214-R314 WeakPolarHBondContact O-CD 3.41Å; P214-A316 HydrophobicContact CB-CB 3.78Å; P214-A316 HydrophobicContact CG-CB 4.14Å | ||
| 215 | K | 91.2 | Very high | 84 | Confident | 136 Ų | 136 | 45.5 Ų | 45.5 | 59% | 0.591 | 24% | 0.241 | S | C | * | . | trans | -112.6 | 155.4 | 176.9 | -64.4 | -174.2 | 179 | -173.5 | 0 | 109.9 | L231 A316 | K215-L231 VanDerWaalsContact O-CD2 3.3Å; K215-L231 WeakPolarHBondContact O-CD2 3.3Å; K215-A316 WeakPolarHBondContact O-CB 3.38Å | ||
| 216 | D | 90.1 | Very high | 83.5 | Confident | 25 Ų | 25 | 49 Ų | 49 | 13% | 0.134 | 25% | 0.252 | C | S | . | . | trans | -61.2 | 140.1 | 170.7 | -64.7 | -22 | 0 | 0 | 0 | 109.1 | A316 R317 I319 F410 K534 | D216-A316 WeakPolarHBondContact OD1-CA 3.13Å; D216-R317 VanDerWaalsContact CA-O 3.29Å; D216-R317 WeakPolarHBondContact CA-O 3.01Å; D216-R317 PolarHBondContact OD1-N 3.22Å; D216-I319 HydrophobicContact CB-CD1 4.14Å; D216-I319 HydrophobicContact CB-CG1 4.5Å; D216-F410 HydrophobicContact CB-CZ 4.23Å; D216-F410 WeakPolarHBondContact O-CE1 3.45Å; D216-K534 IonicContact OD2-NZ 3.01Å; D216-K534 PolarHBondContact OD2-NZ 2.51Å | ||
| 217 | V | 89 | Confident | 83.2 | Confident | 42 Ų | 42 | 55.1 Ų | 55.1 | 26% | 0.255 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 130.8 | 180 | 176 | 0 | 0 | 0 | 0 | 109 | A229 E230 L231 R317 I318 I319 | V217-A229 HydrophobicContact CG1-CB 4.47Å; V217-E230 WeakPolarHBondContact CG2-O 3.39Å; V217-L231 HydrophobicContact CG2-CD2 3.89Å; V217-R317 PolarHBondContact N-O 2.9Å; V217-I318 CarbonylContact O-C 3.6Å; V217-I318 WeakPolarHBondContact O-CA 3.49Å; V217-I319 PolarHBondContact O-N 2.68Å |
| 218 | L | 86.4 | Confident | 83.2 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 120.4 | 172 | -175.5 | 63.3 | 0 | 0 | 0 | 109.6 | V220 I319 M408 F410 M415 | L218-V220 HydrophobicContact CD2-CG2 4.47Å; L218-V220 HydrophobicContact CG-CG2 4.12Å; L218-I319 CarbonylContact C-O 3.6Å; L218-I319 WeakPolarHBondContact CA-O 3.33Å; L218-I319 HydrophobicContact CD1-CB 4.09Å; L218-I319 HydrophobicContact CD1-CG2 3.78Å; L218-I319 WeakPolarHBondContact CD1-O 3.42Å; L218-M408 HydrophobicContact CD2-CE 3.76Å; L218-F410 HydrophobicContact CB-CB 3.89Å; L218-F410 HydrophobicContact CB-CD1 3.74Å; L218-F410 HydrophobicContact CB-CD2 3.84Å; L218-F410 HydrophobicContact CB-CE1 4.23Å; L218-F410 HydrophobicContact CB-CE2 4.32Å; L218-F410 HydrophobicContact CB-CG 3.52Å; L218-F410 HydrophobicContact CD2-CB 3.58Å; L218-F410 HydrophobicContact CD2-CD2 3.86Å; L218-F410 HydrophobicContact CD2-CG 3.86Å; L218-F410 HydrophobicContact CG-CB 4.39Å; L218-F410 HydrophobicContact CG-CD2 4.32Å; L218-F410 HydrophobicContact CG-CG 4.3Å; L218-M415 HydrophobicContact CB-CE 4.09Å; L218-M415 HydrophobicContact CD2-CE 4.04Å; L218-M415 HydrophobicContact CG-CE 3.97Å; L218-M415 WeakPolarHBondContact O-CE 3.49Å |
| 219 | Y | 87.2 | Confident | 83 | Confident | 7 Ų | 7 | 58.5 Ų | 58.5 | 3% | 0.027 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 124.5 | 175 | -175.5 | -101.3 | 0 | 0 | 0 | 110 | H221 S224 P291 I319 F320 G321 | Y219-H221 HydrophobicContact CE1-CB 4.43Å; Y219-H221 AromaticContact CE1-ND1 3.57Å; Y219-S224 WeakPolarHBondContact CE2-OG 3.38Å; Y219-P291 HydrophobicContact CD1-CB 4.13Å; Y219-P291 HydrophobicContact CD1-CG 4.13Å; Y219-P291 HydrophobicContact CD2-CG 4.1Å; Y219-P291 HydrophobicContact CE1-CB 4.27Å; Y219-P291 HydrophobicContact CE1-CG 4.13Å; Y219-P291 HydrophobicContact CE2-CG 4.11Å; Y219-P291 HydrophobicContact CG-CB 4.47Å; Y219-P291 HydrophobicContact CG-CG 4.12Å; Y219-I319 PolarHBondContact N-O 2.93Å; Y219-F320 HydrophobicContact CD1-CD1 4.16Å; Y219-F320 HydrophobicContact CD1-CE1 4.05Å; Y219-G321 PolarHBondContact O-N 2.77Å |
| 220 | V | 83.9 | Confident | 83 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 110.5 | 179.4 | -172 | 0 | 0 | 0 | 0 | 108.8 | L218 H222 M223 S224 M408 M415 | L218-V220 HydrophobicContact CD2-CG2 4.47Å; L218-V220 HydrophobicContact CG-CG2 4.12Å; V220-H222 PolarHBondContact O-N 3.5Å; V220-M223 HydrophobicContact CB-CB 4.12Å; V220-M223 HydrophobicContact CB-SD 4.2Å; V220-M223 HydrophobicContact CG1-CB 4.11Å; V220-M223 HydrophobicContact CG1-CG 4.01Å; V220-M223 HydrophobicContact CG1-SD 3.49Å; V220-M223 WeakPolarHBondContact CG1-SD 3.31Å; V220-M223 PolarHBondContact O-N 2.8Å; V220-S224 PolarHBondContact O-N 2.85Å; V220-M408 HydrophobicContact CG2-CE 3.78Å; V220-M415 HydrophobicContact CG2-CE 4.17Å |
| 221 | H | 74.8 | Confident | 83.2 | Confident | 117 Ų | 117 | 60.9 Ų | 60.9 | 54% | 0.542 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -29.3 | -163.6 | -148.9 | 80.1 | 0 | 0 | 0 | 115.1 | Y219 | Y219-H221 HydrophobicContact CE1-CB 4.43Å; Y219-H221 AromaticContact CE1-ND1 3.57Å |
| 222 | H | 71.3 | Confident | 83.4 | Confident | 171 Ų | 171 | 64.1 Ų | 64.1 | 79% | 0.792 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -4.1 | -177.8 | -58.8 | -41.1 | 0 | 0 | 0 | 114.3 | V220 | V220-H222 PolarHBondContact O-N 3.5Š|
| 223 | M | 71.1 | Confident | 83.7 | Confident | 39 Ų | 39 | 63 Ų | 63 | 19% | 0.192 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | -27.2 | -171.2 | -65.5 | 165.7 | 56.8 | 0 | 0 | 113.2 | V220 T225 L323 M408 Y416 | V220-M223 HydrophobicContact CB-CB 4.12Å; V220-M223 HydrophobicContact CB-SD 4.2Å; V220-M223 HydrophobicContact CG1-CB 4.11Å; V220-M223 HydrophobicContact CG1-CG 4.01Å; V220-M223 HydrophobicContact CG1-SD 3.49Å; V220-M223 WeakPolarHBondContact CG1-SD 3.31Å; V220-M223 PolarHBondContact O-N 2.8Å; M223-T225 PolarHBondContact O-N 2.86Å; M223-T225 VanDerWaalsContact O-N 3.14Å; M223-L323 HydrophobicContact CE-CD2 3.86Å; M223-L323 HydrophobicContact SD-CB 3.54Å; M223-L323 VanDerWaalsContact SD-CB 3.54Å; M223-L323 HydrophobicContact SD-CD2 3.69Å; M223-L323 HydrophobicContact SD-CG 4.23Å; M223-M408 HydrophobicContact CE-CB 4.39Å; M223-M408 HydrophobicContact CE-SD 3.69Å; M223-M408 HydrophobicContact SD-SD 4.18Å; M223-Y416 HydrophobicContact CE-CD1 3.6Å; M223-Y416 HydrophobicContact CE-CD2 3.97Å; M223-Y416 HydrophobicContact CE-CE1 4.48Å; M223-Y416 HydrophobicContact CE-CG 3.29Å |
| 224 | S | 64 | Low | 83.6 | Confident | 34 Ų | 34 | 64 Ų | 64 | 24% | 0.238 | 30% | 0.304 | C | S | . | . | trans | -69.9 | 115.6 | 177.5 | 78.6 | 0 | 0 | 0 | 0 | 109.5 | Y219 V220 E226 | Y219-S224 WeakPolarHBondContact CE2-OG 3.38Å; V220-S224 PolarHBondContact O-N 2.85Å; S224-E226 VanDerWaalsContact CB-O 3.25Å; S224-E226 WeakPolarHBondContact CB-O 3.5Å; S224-E226 PolarHBondContact O-N 2.92Å; S224-E226 PolarHBondContact OG-O 3.41Å | ||
| 225 | T | 64.8 | Low | 83.5 | Confident | 139 Ų | 139 | 64 Ų | 64 | 85% | 0.853 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -57.2 | -36.3 | 171.7 | 46.1 | 0 | 0 | 0 | 0 | 110.5 | M223 | M223-T225 PolarHBondContact O-N 2.86Å; M223-T225 VanDerWaalsContact O-N 3.14Å |
| 226 | E | 67.5 | Low | 83.4 | Confident | 104 Ų | 104 | 58 Ų | 58 | 49% | 0.486 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -88.2 | 112.9 | 174 | -66.5 | -179.6 | -176.9 | 0 | 0 | 108.6 | S224 Y228 | S224-E226 VanDerWaalsContact CB-O 3.25Å; S224-E226 WeakPolarHBondContact CB-O 3.5Å; S224-E226 PolarHBondContact O-N 2.92Å; S224-E226 PolarHBondContact OG-O 3.41Å; E226-Y228 HydrophobicContact CB-CD1 3.89Å; E226-Y228 HydrophobicContact CB-CE1 3.62Å; E226-Y228 HydrophobicContact CB-CE2 4.47Å; E226-Y228 HydrophobicContact CB-CG 4.44Å; E226-Y228 HydrophobicContact CG-CE1 3.85Å; E226-Y228 PolarHBondContact O-N 2.67Å; E226-Y228 PolarHBondContact OE1-OH 3.2Å; E226-Y228 WeakPolarHBondContact OE2-CE2 3.17Å; E226-Y228 PolarHBondContact OE2-OH 3.3Å |
| 227 | K | 80.4 | Confident | 83.3 | Confident | 146 Ų | 146 | 56.9 Ų | 56.9 | 64% | 0.635 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -74 | 37.2 | 176.1 | -64.2 | -171.4 | 178.1 | -175.2 | 0 | 112.3 | N290 | K227-N290 PolarHBondContact O-N 2.85Š|
| 228 | Y | 88 | Confident | 83.1 | Confident | 72 Ų | 72 | 56.5 Ų | 56.5 | 28% | 0.282 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 159.4 | 179 | 66 | -98.5 | 0 | 0 | 0 | 111.4 | E226 E230 V287 I288 | E226-Y228 HydrophobicContact CB-CD1 3.89Å; E226-Y228 HydrophobicContact CB-CE1 3.62Å; E226-Y228 HydrophobicContact CB-CE2 4.47Å; E226-Y228 HydrophobicContact CB-CG 4.44Å; E226-Y228 HydrophobicContact CG-CE1 3.85Å; E226-Y228 PolarHBondContact O-N 2.67Å; E226-Y228 PolarHBondContact OE1-OH 3.2Å; E226-Y228 WeakPolarHBondContact OE2-CE2 3.17Å; E226-Y228 PolarHBondContact OE2-OH 3.3Å; Y228-E230 HydrophobicContact CD2-CB 4.31Å; Y228-E230 HydrophobicContact CE2-CB 4.15Å; Y228-V287 HydrophobicContact CD2-CG1 3.73Å; Y228-V287 HydrophobicContact CE2-CG1 4.45Å; Y228-V287 HydrophobicContact CG-CG1 3.95Å; Y228-I288 CarbonylContact C-O 3.46Å; Y228-I288 WeakPolarHBondContact CA-O 3.31Å; Y228-I288 WeakPolarHBondContact CB-O 3.28Å |
| 229 | A | 88.9 | Confident | 83.2 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 3% | 0.025 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 131.2 | 166 | 0 | 0 | 0 | 0 | 0 | 109 | V217 V287 I288 P291 I318 | V217-A229 HydrophobicContact CG1-CB 4.47Å; A229-V287 WeakPolarHBondContact O-CA 3.21Å; A229-I288 PolarHBondContact N-O 2.94Å; A229-I288 PolarHBondContact O-N 2.82Å; A229-P291 HydrophobicContact CB-CG 3.7Å; A229-I318 HydrophobicContact CB-CD1 3.76Å; A229-I318 HydrophobicContact CB-CG1 4.09Å; A229-I318 HydrophobicContact CB-CG2 4.33Å |
| 230 | E | 91.5 | Very high | 83.2 | Confident | 81 Ų | 81 | 63.3 Ų | 63.3 | 38% | 0.379 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 122.3 | 177.4 | 179.5 | -178.5 | -174.9 | 0 | 0 | 110.6 | V217 Y228 S285 L286 V287 | V217-E230 WeakPolarHBondContact CG2-O 3.39Å; Y228-E230 HydrophobicContact CD2-CB 4.31Å; Y228-E230 HydrophobicContact CE2-CB 4.15Å; E230-S285 WeakPolarHBondContact OE1-CB 3.37Å; E230-S285 PolarHBondContact OE1-OG 2.82Å; E230-L286 WeakPolarHBondContact CA-O 3.31Å; E230-V287 HydrophobicContact CB-CG2 4.32Å; E230-V287 HydrophobicContact CG-CG2 4.05Å |
| 231 | L | 93.3 | Very high | 83.6 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 100.6 | 169.5 | -63.4 | 174.4 | 0 | 0 | 0 | 108.7 | P214 K215 V217 W245 S285 L286 F300 A316 | P214-L231 HydrophobicContact CB-CB 4.48Å; K215-L231 VanDerWaalsContact O-CD2 3.3Å; K215-L231 WeakPolarHBondContact O-CD2 3.3Å; V217-L231 HydrophobicContact CG2-CD2 3.89Å; L231-W245 HydrophobicContact CB-CH2 3.65Å; L231-W245 HydrophobicContact CB-CZ2 4.26Å; L231-W245 HydrophobicContact CB-CZ3 4.21Å; L231-W245 HydrophobicContact CD1-CZ3 4.3Å; L231-W245 VanDerWaalsContact O-CZ2 3.23Å; L231-W245 WeakPolarHBondContact O-CZ2 3.33Å; L231-S285 WeakPolarHBondContact O-CA 3.19Å; L231-L286 HydrophobicContact CB-CB 4.38Å; L231-L286 HydrophobicContact CD1-CD2 4.32Å; L231-L286 PolarHBondContact N-O 3.07Å; L231-L286 PolarHBondContact O-N 3.43Å; L231-F300 HydrophobicContact CD1-CB 3.57Å; L231-F300 HydrophobicContact CD1-CD1 4.19Å; L231-F300 HydrophobicContact CD1-CD2 3.61Å; L231-F300 HydrophobicContact CD1-CE2 4.33Å; L231-F300 HydrophobicContact CD1-CG 3.52Å; L231-A316 HydrophobicContact CD2-CB 4.03Å |
| 232 | R | 93.7 | Very high | 84.4 | Confident | 143 Ų | 143 | 62.3 Ų | 62.3 | 54% | 0.54 | 31% | 0.308 | S | S | . | . | trans | -75.3 | 131.2 | -178.5 | -174.1 | 172.1 | 173.2 | -171.5 | -1.5 | 111.5 | P214 E234 | P214-R232 WeakPolarHBondContact CA-O 3.33Å; P214-R232 WeakPolarHBondContact CB-O 3.37Å; R232-E234 IonicContact CZ-OE2 2.94Å; R232-E234 IonicContact NE-OE2 2.66Å; R232-E234 IonicContact NH2-OE2 2.7Å; R232-E234 PolarHBondContact NH2-OE2 3.11Å | ||
| 233 | C | 93.5 | Very high | 85.5 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | trans | -140 | 122.6 | 174.1 | 175.1 | 0 | 0 | 0 | 0 | 108.8 | F210 W245 G284 C302 | F210-C233 WeakPolarHBondContact CE1-SG 3.38Å; C233-W245 HydrophobicContact CB-CH2 4.08Å; C233-W245 HydrophobicContact CB-CZ2 3.46Å; C233-W245 VanDerWaalsContact CB-CZ2 3.46Å; C233-G284 WeakPolarHBondContact CB-O 3.27Å; C233-G284 CarbonylContact O-C 3.56Å; C233-G284 VanDerWaalsContact O-C 3.28Å; C233-G284 VanDerWaalsContact O-CA 3.31Å; C233-G284 WeakPolarHBondContact O-CA 3.29Å; C233-C302 HydrophobicContact CB-CB 3.61Å; C233-C302 WeakPolarHBondContact CB-SG 2.97Å; C233-C302 WeakPolarHBondContact SG-CB 3.36Å; C233-C302 CovalentContact SG-SG 2.04Å; C233-C302 PolarHBondContact SG-SG 3.07Å | ||
| 234 | E | 91.9 | Very high | 86.5 | Confident | 66 Ų | 66 | 59 Ų | 59 | 31% | 0.308 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 130.9 | -175.1 | -168.8 | 173.6 | 173.7 | 0 | 0 | 109.9 | F210 I211 A212 R232 | F210-E234 CarbonylContact C-O 3.47Å; F210-E234 WeakPolarHBondContact CA-O 2.92Å; I211-E234 HydrophobicContact CB-CG 4.39Å; I211-E234 HydrophobicContact CD1-CG 4.16Å; I211-E234 PolarHBondContact N-O 3.18Å; A212-E234 HydrophobicContact CB-CB 3.9Å; A212-E234 PolarHBondContact N-O 2.78Å; A212-E234 PolarHBondContact O-N 3.33Å; R232-E234 IonicContact CZ-OE2 2.94Å; R232-E234 IonicContact NE-OE2 2.66Å; R232-E234 IonicContact NH2-OE2 2.7Å; R232-E234 PolarHBondContact NH2-OE2 3.11Å |
| 235 | A | 91.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 140.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | C209 F210 Q240 P241 Y243 A304 | C209-A235 CarbonylContact O-C 3.48Å; C209-A235 WeakPolarHBondContact O-CA 3.38Å; C209-A235 WeakPolarHBondContact O-CB 3.41Å; F210-A235 HydrophobicContact CD1-CB 3.99Å; F210-A235 HydrophobicContact CE1-CB 4.24Å; A235-Q240 PolarHBondContact O-NE2 3.19Å; A235-P241 HydrophobicContact CB-CB 4.38Å; A235-P241 HydrophobicContact CB-CG 4.21Å; A235-Y243 HydrophobicContact CB-CE1 3.85Å; A235-Y243 PolarHBondContact N-OH 3.42Å; A235-Y243 PolarHBondContact O-OH 2.83Å; A235-Y243 VanDerWaalsContact O-OH 3.11Å; A235-A304 HydrophobicContact CB-CB 3.5Å |
| 236 | N | 89.6 | Confident | 89.3 | Confident | 12 Ų | 12 | 51.7 Ų | 51.7 | 6% | 0.064 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 162.8 | 169.7 | -146 | -14.6 | 0 | 0 | 0 | 110.8 | P208 C209 I211 P241 | P208-N236 CarbonylContact C-O 3.5Å; P208-N236 VanDerWaalsContact CA-O 3.22Å; P208-N236 WeakPolarHBondContact CA-O 3.23Å; C209-N236 PolarHBondContact N-O 2.83Å; C209-N236 PolarHBondContact O-N 2.95Å; C209-N236 VanDerWaalsContact SG-CB 3.55Å; I211-N236 HydrophobicContact CD1-CB 3.7Å; I211-N236 HydrophobicContact CG1-CB 3.97Å; N236-P241 WeakPolarHBondContact O-CG 3.41Å |
| 237 | G | 88.3 | Confident | 90.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.6 | 157 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | W23 P239 Q240 | W23-G237 WeakPolarHBondContact CZ3-O 3.31Å; G237-P239 CarbonylContact C-O 3.58Å; G237-P239 CarbonylContact O-C 3.03Å; G237-P239 VanDerWaalsContact O-O 3.1Å; G237-Q240 WeakPolarHBondContact O-CA 3.46Å; G237-Q240 PolarHBondContact O-N 3.28Å |
| 238 | N | 84.8 | Confident | 90.9 | Very high | 34 Ų | 34 | 41.7 Ų | 41.7 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 106.8 | 177.9 | 176.6 | 18.9 | 0 | 0 | 0 | 109.6 | W23 M204 A205 R206 Y308 | W23-N238 HydrophobicContact CD2-CB 4.37Å; W23-N238 HydrophobicContact CE3-CB 4.44Å; M204-N238 WeakPolarHBondContact O-CB 3.47Å; M204-N238 PolarHBondContact O-ND2 3.28Å; A205-N238 WeakPolarHBondContact CA-O 3.33Å; R206-N238 PolarHBondContact N-O 2.91Å; R206-N238 PolarHBondContact O-N 3.39Å; N238-Y308 WeakPolarHBondContact O-CE2 3.36Å |
| 239 | P | 88.1 | Confident | 90.7 | Very high | 56 Ų | 56 | 40.2 Ų | 40.2 | 36% | 0.364 | 20% | 0.196 | S | C | . | . | S | Bend | cis | -68.6 | 160.5 | 6 | -18.9 | 32.9 | 0 | 0 | 0 | 114.2 | G237 N306 I307 | G237-P239 CarbonylContact C-O 3.58Å; G237-P239 CarbonylContact O-C 3.03Å; G237-P239 VanDerWaalsContact O-O 3.1Å; P239-N306 WeakPolarHBondContact O-CB 3.5Å; P239-N306 PolarHBondContact O-ND2 2.87Å; P239-I307 HydrophobicContact CG-CD1 3.95Å; P239-I307 HydrophobicContact CG-CG1 4.34Å |
| 240 | Q | 86.9 | Confident | 90.3 | Very high | 104 Ų | 104 | 43.8 Ų | 43.8 | 49% | 0.486 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -51.1 | 129.4 | 178.7 | -175 | 67.9 | 41.5 | 0 | 0 | 111 | A235 G237 | A235-Q240 PolarHBondContact O-NE2 3.19Å; G237-Q240 WeakPolarHBondContact O-CA 3.46Å; G237-Q240 PolarHBondContact O-N 3.28Å |
| 241 | P | 91.4 | Very high | 89.6 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 5% | 0.045 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -66.2 | 154 | 179.4 | -22.3 | 33.8 | 0 | 0 | 0 | 113.9 | P208 A235 N236 A304 K305 | P208-P241 HydrophobicContact CB-CB 4.1Å; P208-P241 HydrophobicContact CB-CG 3.76Å; A235-P241 HydrophobicContact CB-CB 4.38Å; A235-P241 HydrophobicContact CB-CG 4.21Å; N236-P241 WeakPolarHBondContact O-CG 3.41Å; P241-A304 HydrophobicContact CB-CB 4.22Å; P241-K305 CarbonylContact C-O 3.52Å; P241-K305 WeakPolarHBondContact CA-O 3.07Å |
| 242 | T | 92.7 | Very high | 88.5 | Confident | 94 Ų | 94 | 50.1 Ų | 50.1 | 58% | 0.577 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 159.2 | 167.6 | 55.6 | 0 | 0 | 0 | 0 | 109.7 | A304 K305 | T242-A304 CarbonylContact O-C 3.52Å; T242-A304 WeakPolarHBondContact O-CA 3.22Å; T242-K305 PolarHBondContact N-O 2.7Å; T242-K305 PolarHBondContact O-N 2.85Å; T242-K305 PolarHBondContact OG1-O 2.83Å; T242-K305 VanDerWaalsContact OG1-O 3.12Å |
| 243 | Y | 93.5 | Very high | 87.2 | Confident | 45 Ų | 45 | 50.5 Ų | 50.5 | 18% | 0.176 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 145.6 | -169.4 | -55.4 | -88.1 | 0 | 0 | 0 | 112.8 | A235 G284 E303 A304 | A235-Y243 HydrophobicContact CB-CE1 3.85Å; A235-Y243 PolarHBondContact N-OH 3.42Å; A235-Y243 PolarHBondContact O-OH 2.83Å; A235-Y243 VanDerWaalsContact O-OH 3.11Å; Y243-G284 VanDerWaalsContact CD2-CA 3.41Å; Y243-E303 CarbonylContact C-O 3.36Å; Y243-E303 VanDerWaalsContact CA-O 3.27Å; Y243-E303 WeakPolarHBondContact CA-O 3.43Å; Y243-A304 HydrophobicContact CD1-CB 4.12Å; Y243-A304 HydrophobicContact CE1-CB 4.1Å |
| 244 | K | 92.8 | Very high | 86 | Confident | 95 Ų | 95 | 55.3 Ų | 55.3 | 41% | 0.413 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 154.2 | 168.1 | -68.1 | -177.2 | 177.5 | -175.3 | 0 | 110 | Y246 L268 C302 E303 | K244-Y246 HydrophobicContact CB-CE2 4.02Å; K244-L268 HydrophobicContact CB-CD1 4.15Å; K244-L268 HydrophobicContact CD-CD1 4.09Å; K244-L268 HydrophobicContact CG-CD1 4.46Å; K244-C302 CarbonylContact O-C 3.58Å; K244-C302 WeakPolarHBondContact O-CA 3.46Å; K244-E303 HydrophobicContact CB-CB 4.32Å; K244-E303 PolarHBondContact N-O 3.26Å; K244-E303 PolarHBondContact O-N 3.41Å |
| 245 | W | 94.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 145.3 | -180 | -80.2 | 92.7 | 0 | 0 | 0 | 111.3 | P214 L231 C233 I269 I281 G284 L286 F300 Q301 C302 | P214-W245 HydrophobicContact CB-CH2 3.79Å; P214-W245 HydrophobicContact CB-CZ3 4.44Å; P214-W245 HydrophobicContact CG-CH2 4.03Å; P214-W245 HydrophobicContact CG-CZ3 4.4Å; L231-W245 HydrophobicContact CB-CH2 3.65Å; L231-W245 HydrophobicContact CB-CZ2 4.26Å; L231-W245 HydrophobicContact CB-CZ3 4.21Å; L231-W245 HydrophobicContact CD1-CZ3 4.3Å; L231-W245 VanDerWaalsContact O-CZ2 3.23Å; L231-W245 WeakPolarHBondContact O-CZ2 3.33Å; C233-W245 HydrophobicContact CB-CH2 4.08Å; C233-W245 HydrophobicContact CB-CZ2 3.46Å; C233-W245 VanDerWaalsContact CB-CZ2 3.46Å; W245-I269 HydrophobicContact CB-CB 4.29Å; W245-I269 HydrophobicContact CB-CD1 4.1Å; W245-I269 WeakPolarHBondContact O-CB 3.41Å; W245-I269 PolarHBondContact O-N 2.81Å; W245-I281 HydrophobicContact CB-CD1 4.41Å; W245-G284 WeakPolarHBondContact CZ2-O 3.35Å; W245-G284 PolarHBondContact NE1-O 3.1Å; W245-L286 HydrophobicContact CB-CD1 4.48Å; W245-L286 HydrophobicContact CB-CD2 4.25Å; W245-L286 HydrophobicContact CD2-CB 3.68Å; W245-L286 HydrophobicContact CD2-CD2 3.86Å; W245-L286 HydrophobicContact CD2-CG 4.32Å; W245-L286 VanDerWaalsContact CE2-CB 3.46Å; W245-L286 HydrophobicContact CE3-CB 4.25Å; W245-L286 HydrophobicContact CE3-CD2 3.82Å; W245-L286 HydrophobicContact CG-CB 3.95Å; W245-L286 HydrophobicContact CG-CD1 4.36Å; W245-L286 HydrophobicContact CG-CD2 4.08Å; W245-L286 HydrophobicContact CG-CG 4.37Å; W245-L286 HydrophobicContact CH2-CB 4.32Å; W245-L286 HydrophobicContact CZ2-CB 3.8Å; W245-L286 HydrophobicContact CZ3-CD2 4.37Å; W245-F300 HydrophobicContact CE3-CB 4.04Å; W245-F300 HydrophobicContact CZ3-CB 3.82Å; W245-Q301 WeakPolarHBondContact CA-O 3.23Å; W245-C302 HydrophobicContact CD2-CB 4.01Å; W245-C302 HydrophobicContact CE3-CB 4.07Å; W245-C302 HydrophobicContact CH2-CB 3.83Å; W245-C302 HydrophobicContact CZ2-CB 3.73Å; W245-C302 HydrophobicContact CZ3-CB 3.98Å |
| 246 | Y | 93.2 | Very high | 83.2 | Confident | 19 Ų | 19 | 61 Ų | 61 | 8% | 0.075 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 139.1 | -177.9 | -59.8 | -93.2 | 0 | 0 | 0 | 110.7 | K244 R266 T267 L268 F300 Q301 E303 D572 | K244-Y246 HydrophobicContact CB-CE2 4.02Å; Y246-R266 HydrophobicContact CD1-CB 4.2Å; Y246-R266 HydrophobicContact CG-CB 4.4Å; Y246-T267 CarbonylContact C-O 3.57Å; Y246-T267 VanDerWaalsContact CA-O 3.26Å; Y246-T267 WeakPolarHBondContact CA-O 3.47Å; Y246-L268 HydrophobicContact CD1-CB 4.13Å; Y246-L268 HydrophobicContact CD1-CD1 4.2Å; Y246-L268 HydrophobicContact CE1-CB 3.94Å; Y246-L268 HydrophobicContact CE1-CD1 3.64Å; Y246-L268 HydrophobicContact CE1-CG 4.41Å; Y246-L268 HydrophobicContact CE2-CD1 4.45Å; Y246-F300 WeakPolarHBondContact O-CA 3.45Å; Y246-Q301 PolarHBondContact N-O 3.41Å; Y246-Q301 PolarHBondContact O-N 3.13Å; Y246-E303 HydrophobicContact CD2-CB 4.47Å; Y246-E303 HydrophobicContact CE2-CB 3.7Å; Y246-E303 WeakPolarHBondContact CE2-OE2 3.49Å; Y246-E303 PolarHBondContact OH-OE2 2.91Å; Y246-D572 PolarHBondContact OH-OD2 2.93Å |
| 247 | Y | 91.8 | Very high | 82.2 | Confident | 38 Ų | 38 | 65.2 Ų | 65.2 | 15% | 0.149 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 137.2 | 156.4 | -63.3 | -68.8 | 0 | 0 | 0 | 108.7 | R266 T267 I269 Q298 M299 F300 | Y247-R266 CarbonylContact O-C 3.58Å; Y247-R266 WeakPolarHBondContact O-CA 3.32Å; Y247-T267 PolarHBondContact N-O 2.89Å; Y247-T267 PolarHBondContact O-N 3.08Å; Y247-I269 HydrophobicContact CD1-CD1 4.02Å; Y247-I269 HydrophobicContact CD1-CG1 4.47Å; Y247-I269 HydrophobicContact CD2-CD1 4.02Å; Y247-I269 HydrophobicContact CD2-CG1 3.56Å; Y247-I269 HydrophobicContact CE1-CD1 3.91Å; Y247-I269 HydrophobicContact CE1-CG1 4.41Å; Y247-I269 HydrophobicContact CE2-CD1 3.92Å; Y247-I269 HydrophobicContact CE2-CG1 3.49Å; Y247-I269 VanDerWaalsContact CE2-CG1 3.49Å; Y247-I269 HydrophobicContact CG-CD1 4.07Å; Y247-I269 HydrophobicContact CG-CG1 4.06Å; Y247-Q298 HydrophobicContact CD1-CB 4.25Å; Y247-M299 CarbonylContact C-O 3.5Å; Y247-M299 WeakPolarHBondContact CA-O 3.2Å; Y247-F300 HydrophobicContact CD1-CD1 4.14Å; Y247-F300 AromaticContact CD1-CE1 3.68Å; Y247-F300 HydrophobicContact CD1-CE1 3.68Å; Y247-F300 HydrophobicContact CD1-CZ 4.19Å; Y247-F300 HydrophobicContact CE1-CD1 4.16Å; Y247-F300 AromaticContact CE1-CE1 3.32Å; Y247-F300 HydrophobicContact CE1-CE1 3.32Å; Y247-F300 AromaticContact CE1-CZ 3.81Å; Y247-F300 HydrophobicContact CE1-CZ 3.81Å |
| 248 | V | 89.8 | Confident | 81 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.012 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 121 | -179.2 | -170.6 | 0 | 0 | 0 | 0 | 109.4 | L264 H265 R266 M299 Q301 T315 | V248-L264 HydrophobicContact CG1-CB 4.2Å; V248-L264 HydrophobicContact CG1-CD2 3.79Å; V248-L264 HydrophobicContact CG1-CG 4.44Å; V248-H265 WeakPolarHBondContact CA-O 3.37Å; V248-R266 HydrophobicContact CG1-CG 4.25Å; V248-R266 HydrophobicContact CG2-CG 4.07Å; V248-M299 HydrophobicContact CB-CB 3.98Å; V248-M299 HydrophobicContact CB-CE 4.49Å; V248-M299 HydrophobicContact CG1-CE 4.2Å; V248-M299 PolarHBondContact N-O 2.93Å; V248-M299 PolarHBondContact O-N 2.86Å; V248-Q301 HydrophobicContact CG2-CB 3.55Å; V248-T315 HydrophobicContact CB-CG2 4.42Å; V248-T315 HydrophobicContact CG1-CG2 4.38Å; V248-T315 HydrophobicContact CG2-CG2 4.28Å |
| 249 | S | 84.5 | Confident | 79.8 | Confident | 41 Ų | 41 | 71 Ų | 71 | 29% | 0.287 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 159.5 | 175.9 | 63.5 | 0 | 0 | 0 | 0 | 110.7 | L264 H265 | S249-L264 WeakPolarHBondContact O-CA 3.16Å; S249-H265 PolarHBondContact N-O 2.81Å; S249-H265 PolarHBondContact O-N 2.95Å |
| 250 | T | 80.3 | Confident | 78.4 | Confident | 78 Ų | 78 | 72.9 Ų | 72.9 | 48% | 0.479 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 122.2 | 175.1 | 53 | 0 | 0 | 0 | 0 | 110 | T262 I263 L264 M299 W619 | T250-T262 HydrophobicContact CG2-CG2 4.46Å; T250-I263 WeakPolarHBondContact CA-O 3.21Å; T250-L264 HydrophobicContact CG2-CD2 3.9Å; T250-M299 HydrophobicContact CG2-CE 4.34Å; T250-W619 HydrophobicContact CG2-CH2 4.22Å; T250-W619 HydrophobicContact CG2-CZ3 3.96Å |
| 251 | E | 75.2 | Confident | 77.3 | Confident | 67 Ų | 67 | 72 Ų | 72 | 31% | 0.313 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 137.4 | 172.9 | -67.1 | -178.9 | 178.9 | 0 | 0 | 110.2 | R253 T262 I263 H265 | E251-R253 IonicContact OE2-NH2 2.67Å; E251-T262 CarbonylContact O-C 3.55Å; E251-T262 WeakPolarHBondContact O-CA 3.45Å; E251-I263 HydrophobicContact CB-CD1 4.48Å; E251-I263 HydrophobicContact CB-CG1 4.02Å; E251-I263 PolarHBondContact N-O 3.06Å; E251-I263 WeakPolarHBondContact O-CG1 3.27Å; E251-I263 PolarHBondContact O-N 2.97Å; E251-H265 HydrophobicContact CG-CB 4.03Å; E251-H265 IonicContact OE1-CD2 3.38Å; E251-H265 PolarHBondContact OE1-CD2 3.06Å; E251-H265 IonicContact OE1-CG 2.87Å |
| 252 | M | 71 | Confident | 76.3 | Confident | 150 Ų | 150 | 74.2 Ų | 74.2 | 74% | 0.739 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 122.1 | 171.4 | -62 | -173.7 | -164.8 | 0 | 0 | 109.6 | T262 | M252-T262 HydrophobicContact CG-CG2 4.33Å |
| 253 | R | 67.3 | Low | 75.4 | Confident | 151 Ų | 151 | 71.8 Ų | 71.8 | 57% | 0.57 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 127.7 | 171.3 | -72.2 | -168.8 | -178.1 | 179.1 | 2.3 | 110.2 | E251 N255 I261 I263 | E251-R253 IonicContact OE2-NH2 2.67Å; R253-N255 PolarHBondContact O-N 3.13Å; R253-I261 PolarHBondContact N-O 2.97Å; R253-I261 PolarHBondContact O-N 2.59Å; R253-I263 HydrophobicContact CG-CD1 4.08Å; R253-I263 HydrophobicContact CG-CG1 4.45Å |
| 254 | T | 67.7 | Low | 74.8 | Confident | 102 Ų | 102 | 70.5 Ų | 70.5 | 63% | 0.626 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 123.2 | 164.9 | 31 | 0 | 0 | 0 | 0 | 109.3 | D259 T260 | T254-D259 CarbonylContact C-O 3.51Å; T254-D259 WeakPolarHBondContact CA-O 3.32Å; T254-T260 HydrophobicContact CG2-CG2 3.5Å; T254-T260 VanDerWaalsContact CG2-CG2 3.5Å |
| 255 | N | 62.3 | Low | 74.4 | Confident | 53 Ų | 53 | 69.5 Ų | 69.5 | 28% | 0.283 | 39% | 0.39 | S | S | . | . | trans | -74 | 175.8 | 171.3 | 76 | 3.1 | 0 | 0 | 0 | 110.4 | R253 T257 G258 D259 I261 | R253-N255 PolarHBondContact O-N 3.13Å; N255-T257 PolarHBondContact ND2-OG1 3.04Å; N255-T257 PolarHBondContact O-N 3.19Å; N255-T257 WeakPolarHBondContact OD1-CA 3.22Å; N255-T257 PolarHBondContact OD1-N 3.06Å; N255-T257 PolarHBondContact OD1-OG1 2.96Å; N255-G258 PolarHBondContact O-N 2.84Å; N255-G258 VanDerWaalsContact O-N 3.09Å; N255-G258 PolarHBondContact OD1-N 3.42Å; N255-D259 PolarHBondContact N-O 2.78Å; N255-D259 PolarHBondContact OD1-N 2.94Å; N255-D259 PolarHBondContact OD1-O 2.82Å; N255-I261 HydrophobicContact CB-CD1 3.86Å; N255-I261 HydrophobicContact CB-CG1 4.39Å | ||
| 256 | S | 62.8 | Low | 74.1 | Confident | 132 Ų | 132 | 71.8 Ų | 71.8 | 92% | 0.923 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -15.7 | 178.3 | 49.7 | 0 | 0 | 0 | 0 | 114.6 | ||
| 257 | T | 67.2 | Low | 73.9 | Confident | 102 Ų | 102 | 74.1 Ų | 74.1 | 63% | 0.626 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -1.9 | 174.8 | 57.2 | 0 | 0 | 0 | 0 | 112.9 | N255 D259 | N255-T257 PolarHBondContact ND2-OG1 3.04Å; N255-T257 PolarHBondContact O-N 3.19Å; N255-T257 WeakPolarHBondContact OD1-CA 3.22Å; N255-T257 PolarHBondContact OD1-N 3.06Å; N255-T257 PolarHBondContact OD1-OG1 2.96Å; T257-D259 PolarHBondContact OG1-OD2 3.31Å |
| 258 | G | 62.8 | Low | 73.9 | Confident | 55 Ų | 55 | 76.5 Ų | 76.5 | 57% | 0.567 | 43% | 0.43 | S | S | * | . | S | Bend | trans | 87.7 | -0.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N255 | N255-G258 PolarHBondContact O-N 2.84Å; N255-G258 VanDerWaalsContact O-N 3.09Å; N255-G258 PolarHBondContact OD1-N 3.42Å |
| 259 | D | 59.4 | Low | 73.9 | Confident | 99 Ų | 99 | 76.9 Ų | 76.9 | 53% | 0.529 | 43% | 0.432 | S | S | . | . | trans | -77.5 | 126.9 | 175.8 | -60.2 | -53.4 | 0 | 0 | 0 | 110.4 | T254 N255 T257 I261 | T254-D259 CarbonylContact C-O 3.51Å; T254-D259 WeakPolarHBondContact CA-O 3.32Å; N255-D259 PolarHBondContact N-O 2.78Å; N255-D259 PolarHBondContact OD1-N 2.94Å; N255-D259 PolarHBondContact OD1-O 2.82Å; T257-D259 PolarHBondContact OG1-OD2 3.31Å; D259-I261 PolarHBondContact O-N 2.8Å | ||
| 260 | T | 58.7 | Low | 74 | Confident | 97 Ų | 97 | 79.3 Ų | 79.3 | 60% | 0.595 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 110.1 | 169.8 | 29.3 | 0 | 0 | 0 | 0 | 110.1 | T254 | T254-T260 HydrophobicContact CG2-CG2 3.5Å; T254-T260 VanDerWaalsContact CG2-CG2 3.5Å |
| 261 | I | 65.7 | Low | 74 | Confident | 84 Ų | 84 | 76.9 Ų | 76.9 | 43% | 0.431 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 127.3 | 172.9 | -53 | 177.5 | 0 | 0 | 0 | 108.1 | R253 N255 D259 I263 | R253-I261 PolarHBondContact N-O 2.97Å; R253-I261 PolarHBondContact O-N 2.59Å; N255-I261 HydrophobicContact CB-CD1 3.86Å; N255-I261 HydrophobicContact CB-CG1 4.39Å; D259-I261 PolarHBondContact O-N 2.8Å; I261-I263 HydrophobicContact CG2-CG2 4.3Å |
| 262 | T | 69.2 | Low | 74.1 | Confident | 55 Ų | 55 | 78.3 Ų | 78.3 | 34% | 0.337 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 129 | 171.4 | -30.9 | 0 | 0 | 0 | 0 | 108.7 | T250 E251 M252 W619 | T250-T262 HydrophobicContact CG2-CG2 4.46Å; E251-T262 CarbonylContact O-C 3.55Å; E251-T262 WeakPolarHBondContact O-CA 3.45Å; M252-T262 HydrophobicContact CG-CG2 4.33Å; T262-W619 HydrophobicContact CG2-CH2 3.88Å; T262-W619 WeakPolarHBondContact O-CZ2 3.43Å |
| 263 | I | 74.2 | Confident | 74.4 | Confident | 43 Ų | 43 | 74.4 Ų | 74.4 | 22% | 0.221 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 151.2 | 178.5 | 55.6 | 163.4 | 0 | 0 | 0 | 110.3 | T250 E251 R253 I261 | T250-I263 WeakPolarHBondContact CA-O 3.21Å; E251-I263 HydrophobicContact CB-CD1 4.48Å; E251-I263 HydrophobicContact CB-CG1 4.02Å; E251-I263 PolarHBondContact N-O 3.06Å; E251-I263 WeakPolarHBondContact O-CG1 3.27Å; E251-I263 PolarHBondContact O-N 2.97Å; R253-I263 HydrophobicContact CG-CD1 4.08Å; R253-I263 HydrophobicContact CG-CG1 4.45Å; I261-I263 HydrophobicContact CG2-CG2 4.3Å |
| 264 | L | 81.6 | Confident | 74.8 | Confident | 18 Ų | 18 | 70.6 Ų | 70.6 | 9% | 0.094 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 119.4 | 173.8 | -67.5 | 170.2 | 0 | 0 | 0 | 109.9 | V248 S249 T250 M299 L617 W619 | V248-L264 HydrophobicContact CG1-CB 4.2Å; V248-L264 HydrophobicContact CG1-CD2 3.79Å; V248-L264 HydrophobicContact CG1-CG 4.44Å; S249-L264 WeakPolarHBondContact O-CA 3.16Å; T250-L264 HydrophobicContact CG2-CD2 3.9Å; L264-M299 HydrophobicContact CD2-CE 4.23Å; L264-L617 HydrophobicContact CD1-CD2 3.63Å; L264-W619 HydrophobicContact CD1-CB 4.17Å; L264-W619 HydrophobicContact CD1-CD2 3.82Å; L264-W619 HydrophobicContact CD1-CE3 4.49Å; L264-W619 HydrophobicContact CD1-CG 3.64Å; L264-W619 HydrophobicContact CD2-CD2 4.23Å; L264-W619 HydrophobicContact CD2-CE3 4.15Å; L264-W619 HydrophobicContact CD2-CH2 4.45Å; L264-W619 HydrophobicContact CD2-CZ3 4.26Å; L264-W619 HydrophobicContact CG-CD2 4.01Å; L264-W619 HydrophobicContact CG-CE3 4.41Å; L264-W619 HydrophobicContact CG-CG 4.36Å; L264-W619 HydrophobicContact CG-CZ2 4.13Å |
| 265 | H | 83.6 | Confident | 75.1 | Confident | 74 Ų | 74 | 71.8 Ų | 71.8 | 34% | 0.343 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 134.4 | 172.1 | -176.5 | -77.1 | 0 | 0 | 0 | 109.6 | V248 S249 E251 T267 | V248-H265 WeakPolarHBondContact CA-O 3.37Å; S249-H265 PolarHBondContact N-O 2.81Å; S249-H265 PolarHBondContact O-N 2.95Å; E251-H265 HydrophobicContact CG-CB 4.03Å; E251-H265 IonicContact OE1-CD2 3.38Å; E251-H265 PolarHBondContact OE1-CD2 3.06Å; E251-H265 IonicContact OE1-CG 2.87Å; H265-T267 PolarHBondContact CE1-OG1 2.65Å; H265-T267 PolarHBondContact ND1-OG1 3.44Å |
| 266 | R | 87.8 | Confident | 75.7 | Confident | 48 Ų | 48 | 72.6 Ų | 72.6 | 18% | 0.181 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 128 | -175.9 | -62.8 | -175.9 | -68.3 | 142.7 | 12.1 | 110.9 | Y246 Y247 V248 D572 | Y246-R266 HydrophobicContact CD1-CB 4.2Å; Y246-R266 HydrophobicContact CG-CB 4.4Å; Y247-R266 CarbonylContact O-C 3.58Å; Y247-R266 WeakPolarHBondContact O-CA 3.32Å; V248-R266 HydrophobicContact CG1-CG 4.25Å; V248-R266 HydrophobicContact CG2-CG 4.07Å; R266-D572 IonicContact CZ-OD1 3.97Å; R266-D572 IonicContact NH1-OD1 3.24Å; R266-D572 PolarHBondContact NH1-OD1 3.12Å; R266-D572 PolarHBondContact NH2-O 3.11Å; R266-D572 IonicContact NH2-OD1 3.31Å; R266-D572 PolarHBondContact NH2-OD1 2.63Å |
| 267 | T | 89.1 | Confident | 76.5 | Confident | 68 Ų | 68 | 69 Ų | 69 | 42% | 0.417 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 120.9 | -179.1 | -50.4 | 0 | 0 | 0 | 0 | 108.9 | Y246 Y247 H265 | Y246-T267 CarbonylContact C-O 3.57Å; Y246-T267 VanDerWaalsContact CA-O 3.26Å; Y246-T267 WeakPolarHBondContact CA-O 3.47Å; Y247-T267 PolarHBondContact N-O 2.89Å; Y247-T267 PolarHBondContact O-N 3.08Å; H265-T267 PolarHBondContact CE1-OG1 2.65Å; H265-T267 PolarHBondContact ND1-OG1 3.44Å |
| 268 | L | 91.3 | Very high | 77.4 | Confident | 87 Ų | 87 | 66.4 Ų | 66.4 | 46% | 0.455 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 135.5 | -177.1 | -178.7 | 70 | 0 | 0 | 0 | 111.3 | K244 Y246 | K244-L268 HydrophobicContact CB-CD1 4.15Å; K244-L268 HydrophobicContact CD-CD1 4.09Å; K244-L268 HydrophobicContact CG-CD1 4.46Å; Y246-L268 HydrophobicContact CD1-CB 4.13Å; Y246-L268 HydrophobicContact CD1-CD1 4.2Å; Y246-L268 HydrophobicContact CE1-CB 3.94Å; Y246-L268 HydrophobicContact CE1-CD1 3.64Å; Y246-L268 HydrophobicContact CE1-CG 4.41Å; Y246-L268 HydrophobicContact CE2-CD1 4.45Å |
| 269 | I | 90.5 | Very high | 78.7 | Confident | 11 Ų | 11 | 64.2 Ų | 64.2 | 6% | 0.056 | 39% | 0.39 | C | S | . | . | trans | -89.8 | 107.6 | 171.5 | -59.7 | 176.8 | 0 | 0 | 0 | 108.1 | W245 Y247 A271 I279 L286 F300 | W245-I269 HydrophobicContact CB-CB 4.29Å; W245-I269 HydrophobicContact CB-CD1 4.1Å; W245-I269 WeakPolarHBondContact O-CB 3.41Å; W245-I269 PolarHBondContact O-N 2.81Å; Y247-I269 HydrophobicContact CD1-CD1 4.02Å; Y247-I269 HydrophobicContact CD1-CG1 4.47Å; Y247-I269 HydrophobicContact CD2-CD1 4.02Å; Y247-I269 HydrophobicContact CD2-CG1 3.56Å; Y247-I269 HydrophobicContact CE1-CD1 3.91Å; Y247-I269 HydrophobicContact CE1-CG1 4.41Å; Y247-I269 HydrophobicContact CE2-CD1 3.92Å; Y247-I269 HydrophobicContact CE2-CG1 3.49Å; Y247-I269 VanDerWaalsContact CE2-CG1 3.49Å; Y247-I269 HydrophobicContact CG-CD1 4.07Å; Y247-I269 HydrophobicContact CG-CG1 4.06Å; I269-A271 PolarHBondContact O-N 2.87Å; I269-I279 HydrophobicContact CG2-CD1 4.45Å; I269-I279 HydrophobicContact CG2-CG2 4.08Å; I269-L286 HydrophobicContact CD1-CD2 4.08Å; I269-F300 HydrophobicContact CD1-CD1 3.77Å; I269-F300 HydrophobicContact CD1-CE1 3.99Å | ||
| 270 | D | 85.7 | Confident | 80 | Confident | 92 Ų | 92 | 61.7 Ų | 61.7 | 49% | 0.492 | 38% | 0.38 | S | S | . | . | trans | -95.1 | 87.4 | 173.9 | -170 | -8.6 | 0 | 0 | 0 | 110.3 | A272 A273 E274 | D270-A272 PolarHBondContact O-N 2.89Å; D270-A272 PolarHBondContact OD1-N 2.83Å; D270-A272 VanDerWaalsContact OD1-N 3.11Å; D270-A273 HydrophobicContact CB-CB 3.95Å; D270-A273 PolarHBondContact O-N 3.17Å; D270-A273 VanDerWaalsContact O-N 3.15Å; D270-A273 PolarHBondContact OD1-N 2.99Å; D270-A273 WeakPolarHBondContact OD2-CB 3.46Å; D270-E274 PolarHBondContact O-N 2.98Å | ||
| 271 | A | 80.4 | Confident | 81.2 | Confident | 26 Ų | 26 | 60 Ų | 60 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -23.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | I269 I279 I281 | I269-A271 PolarHBondContact O-N 2.87Å; A271-I279 HydrophobicContact CB-CG2 4.15Å; A271-I281 HydrophobicContact CB-CD1 4.1Å; A271-I281 HydrophobicContact CB-CG1 4.25Å |
| 272 | A | 77 | Confident | 81.9 | Confident | 98 Ų | 98 | 59.9 Ų | 59.9 | 81% | 0.81 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -26.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D270 | D270-A272 PolarHBondContact O-N 2.89Å; D270-A272 PolarHBondContact OD1-N 2.83Å; D270-A272 VanDerWaalsContact OD1-N 3.11Å |
| 273 | A | 78.4 | Confident | 82.4 | Confident | 68 Ų | 68 | 61.3 Ų | 61.3 | 56% | 0.562 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -13.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D270 P275 | D270-A273 HydrophobicContact CB-CB 3.95Å; D270-A273 PolarHBondContact O-N 3.17Å; D270-A273 VanDerWaalsContact O-N 3.15Å; D270-A273 PolarHBondContact OD1-N 2.99Å; D270-A273 WeakPolarHBondContact OD2-CB 3.46Å; A273-P275 VanDerWaalsContact O-CD 3.24Å; A273-P275 WeakPolarHBondContact O-CD 3.42Å |
| 274 | E | 76.2 | Confident | 82.9 | Confident | 71 Ų | 71 | 59.3 Ų | 59.3 | 33% | 0.332 | 38% | 0.381 | S | S | . | . | trans | -74.6 | 107 | -177.7 | -173.5 | 57.6 | -132 | 0 | 0 | 111 | D270 S276 G277 I279 | D270-E274 PolarHBondContact O-N 2.98Å; E274-S276 WeakPolarHBondContact CG-OG 3.39Å; E274-S276 PolarHBondContact O-N 3.04Å; E274-S276 VanDerWaalsContact O-N 3.15Å; E274-S276 PolarHBondContact OE1-OG 2.8Å; E274-G277 PolarHBondContact O-N 2.78Å; E274-I279 HydrophobicContact CG-CD1 4.4Å | ||
| 275 | P | 72.7 | Confident | 83.3 | Confident | 126 Ų | 126 | 59.1 Ų | 59.1 | 82% | 0.818 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -22.9 | -169.3 | -9.9 | 21.7 | 0 | 0 | 0 | 113.5 | A273 G277 | A273-P275 VanDerWaalsContact O-CD 3.24Å; A273-P275 WeakPolarHBondContact O-CD 3.42Å; P275-G277 VanDerWaalsContact C-N 3.28Å; P275-G277 PolarHBondContact O-N 3.03Å |
| 276 | S | 76 | Confident | 83.7 | Confident | 71 Ų | 71 | 55.6 Ų | 55.6 | 50% | 0.497 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -16.5 | -174.6 | 59.9 | 0 | 0 | 0 | 0 | 113.4 | E274 R278 | E274-S276 WeakPolarHBondContact CG-OG 3.39Å; E274-S276 PolarHBondContact O-N 3.04Å; E274-S276 VanDerWaalsContact O-N 3.15Å; E274-S276 PolarHBondContact OE1-OG 2.8Å; S276-R278 PolarHBondContact O-N 3.25Å; S276-R278 VanDerWaalsContact O-N 3.13Å; S276-R278 WeakPolarHBondContact OG-CB 3.47Å; S276-R278 PolarHBondContact OG-N 2.87Å |
| 277 | G | 78.7 | Confident | 83.9 | Confident | 56 Ų | 56 | 54.2 Ų | 54.2 | 58% | 0.577 | 36% | 0.361 | S | S | * | . | trans | 62.1 | 12.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E274 P275 | E274-G277 PolarHBondContact O-N 2.78Å; P275-G277 VanDerWaalsContact C-N 3.28Å; P275-G277 PolarHBondContact O-N 3.03Å | ||
| 278 | R | 87.5 | Confident | 83.9 | Confident | 48 Ų | 48 | 51 Ų | 51 | 18% | 0.181 | 34% | 0.342 | C | S | . | . | trans | -70.7 | -32.5 | -173.7 | -172.5 | -177.1 | 71.6 | 92.7 | -3.6 | 112.7 | S276 H289 D296 | S276-R278 PolarHBondContact O-N 3.25Å; S276-R278 VanDerWaalsContact O-N 3.13Å; S276-R278 WeakPolarHBondContact OG-CB 3.47Å; S276-R278 PolarHBondContact OG-N 2.87Å; R278-H289 WeakPolarHBondContact CD-O 3.39Å; R278-H289 HydrophobicContact CG-CB 4.43Å; R278-H289 WeakPolarHBondContact CG-O 3.34Å; R278-H289 PolarHBondContact O-CD2 2.77Å; R278-H289 PolarHBondContact O-N 3.13Å; R278-D296 IonicContact CZ-OD1 2.78Å; R278-D296 IonicContact CZ-OD2 2.69Å; R278-D296 IonicContact NH1-OD1 3.96Å; R278-D296 PolarHBondContact NH1-OD1 2.9Å; R278-D296 IonicContact NH1-OD2 2.65Å; R278-D296 PolarHBondContact NH1-OD2 3.17Å; R278-D296 IonicContact NH2-OD1 3.06Å; R278-D296 PolarHBondContact NH2-OD1 3.43Å; R278-D296 IonicContact NH2-OD2 3.48Å | ||
| 279 | I | 88.1 | Confident | 83.8 | Confident | 8 Ų | 8 | 50.4 Ų | 50.4 | 4% | 0.041 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 130.9 | -177.5 | -59.7 | 175.1 | 0 | 0 | 0 | 108.2 | I269 A271 E274 L286 V287 I288 | I269-I279 HydrophobicContact CG2-CD1 4.45Å; I269-I279 HydrophobicContact CG2-CG2 4.08Å; A271-I279 HydrophobicContact CB-CG2 4.15Å; E274-I279 HydrophobicContact CG-CD1 4.4Å; I279-L286 HydrophobicContact CG2-CD1 3.57Å; I279-V287 WeakPolarHBondContact CA-O 3.38Å; I279-I288 HydrophobicContact CG1-CG1 4.45Å |
| 280 | S | 87.9 | Confident | 83.6 | Confident | 47 Ų | 47 | 54.1 Ų | 54.1 | 33% | 0.329 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 151.8 | 173.3 | 67.1 | 0 | 0 | 0 | 0 | 111.3 | V287 | S280-V287 PolarHBondContact N-O 3.3Å; S280-V287 PolarHBondContact O-N 2.83Å |
| 281 | I | 84.5 | Confident | 83.8 | Confident | 62 Ų | 62 | 49.8 Ų | 49.8 | 32% | 0.318 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 119.7 | 176.9 | -59.7 | 168.9 | 0 | 0 | 0 | 107.5 | W245 A271 S285 L286 | W245-I281 HydrophobicContact CB-CD1 4.41Å; A271-I281 HydrophobicContact CB-CD1 4.1Å; A271-I281 HydrophobicContact CB-CG1 4.25Å; I281-S285 WeakPolarHBondContact CA-O 3.35Å; I281-L286 HydrophobicContact CD1-CD1 4.42Å; I281-L286 HydrophobicContact CG1-CD1 3.81Å |
| 282 | S | 80.3 | Confident | 84.1 | Confident | 80 Ų | 80 | 51.8 Ų | 51.8 | 56% | 0.559 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 124.9 | -179.4 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | G284 S285 | S282-G284 PolarHBondContact O-N 3.33Å; S282-S285 PolarHBondContact N-O 2.98Å; S282-S285 WeakPolarHBondContact O-CB 3.43Å; S282-S285 PolarHBondContact O-N 3.41Å |
| 283 | A | 78.1 | Confident | 84.5 | Confident | 86 Ų | 86 | 51.1 Ų | 51.1 | 71% | 0.711 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 27.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 284 | G | 84.5 | Confident | 84.7 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95 | -21 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | C233 Y243 W245 S282 | C233-G284 WeakPolarHBondContact CB-O 3.27Å; C233-G284 CarbonylContact O-C 3.56Å; C233-G284 VanDerWaalsContact O-C 3.28Å; C233-G284 VanDerWaalsContact O-CA 3.31Å; C233-G284 WeakPolarHBondContact O-CA 3.29Å; Y243-G284 VanDerWaalsContact CD2-CA 3.41Å; W245-G284 WeakPolarHBondContact CZ2-O 3.35Å; W245-G284 PolarHBondContact NE1-O 3.1Å; S282-G284 PolarHBondContact O-N 3.33Å |
| 285 | S | 90.1 | Very high | 85.1 | Confident | 13 Ų | 13 | 51.8 Ų | 51.8 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 132.5 | 171.6 | -71.5 | 0 | 0 | 0 | 0 | 111.8 | E230 L231 I281 S282 | E230-S285 WeakPolarHBondContact OE1-CB 3.37Å; E230-S285 PolarHBondContact OE1-OG 2.82Å; L231-S285 WeakPolarHBondContact O-CA 3.19Å; I281-S285 WeakPolarHBondContact CA-O 3.35Å; S282-S285 PolarHBondContact N-O 2.98Å; S282-S285 WeakPolarHBondContact O-CB 3.43Å; S282-S285 PolarHBondContact O-N 3.41Å |
| 286 | L | 92.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 119.9 | 168.1 | 175.9 | 68.5 | 0 | 0 | 0 | 108.9 | E230 L231 W245 I269 I279 I281 I288 F300 | E230-L286 WeakPolarHBondContact CA-O 3.31Å; L231-L286 HydrophobicContact CB-CB 4.38Å; L231-L286 HydrophobicContact CD1-CD2 4.32Å; L231-L286 PolarHBondContact N-O 3.07Å; L231-L286 PolarHBondContact O-N 3.43Å; W245-L286 HydrophobicContact CB-CD1 4.48Å; W245-L286 HydrophobicContact CB-CD2 4.25Å; W245-L286 HydrophobicContact CD2-CB 3.68Å; W245-L286 HydrophobicContact CD2-CD2 3.86Å; W245-L286 HydrophobicContact CD2-CG 4.32Å; W245-L286 VanDerWaalsContact CE2-CB 3.46Å; W245-L286 HydrophobicContact CE3-CB 4.25Å; W245-L286 HydrophobicContact CE3-CD2 3.82Å; W245-L286 HydrophobicContact CG-CB 3.95Å; W245-L286 HydrophobicContact CG-CD1 4.36Å; W245-L286 HydrophobicContact CG-CD2 4.08Å; W245-L286 HydrophobicContact CG-CG 4.37Å; W245-L286 HydrophobicContact CH2-CB 4.32Å; W245-L286 HydrophobicContact CZ2-CB 3.8Å; W245-L286 HydrophobicContact CZ3-CD2 4.37Å; I269-L286 HydrophobicContact CD1-CD2 4.08Å; I279-L286 HydrophobicContact CG2-CD1 3.57Å; I281-L286 HydrophobicContact CD1-CD1 4.42Å; I281-L286 HydrophobicContact CG1-CD1 3.81Å; L286-I288 HydrophobicContact CD2-CD1 4.35Å; L286-I288 HydrophobicContact CG-CG1 4.24Å; L286-F300 HydrophobicContact CD2-CD1 3.55Å; L286-F300 HydrophobicContact CD2-CE1 3.99Å; L286-F300 HydrophobicContact CD2-CG 4.34Å |
| 287 | V | 91.4 | Very high | 86.2 | Confident | 19 Ų | 19 | 45.5 Ų | 45.5 | 12% | 0.115 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 123.2 | 179.2 | -177 | 0 | 0 | 0 | 0 | 109 | Y228 A229 E230 I279 S280 | Y228-V287 HydrophobicContact CD2-CG1 3.73Å; Y228-V287 HydrophobicContact CE2-CG1 4.45Å; Y228-V287 HydrophobicContact CG-CG1 3.95Å; A229-V287 WeakPolarHBondContact O-CA 3.21Å; E230-V287 HydrophobicContact CB-CG2 4.32Å; E230-V287 HydrophobicContact CG-CG2 4.05Å; I279-V287 WeakPolarHBondContact CA-O 3.38Å; S280-V287 PolarHBondContact N-O 3.3Å; S280-V287 PolarHBondContact O-N 2.83Å |
| 288 | I | 90.9 | Very high | 86.5 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 110.6 | 178.6 | -57.2 | -171.8 | 0 | 0 | 0 | 108.3 | Y228 A229 I279 L286 P291 F300 I318 | Y228-I288 CarbonylContact C-O 3.46Å; Y228-I288 WeakPolarHBondContact CA-O 3.31Å; Y228-I288 WeakPolarHBondContact CB-O 3.28Å; A229-I288 PolarHBondContact N-O 2.94Å; A229-I288 PolarHBondContact O-N 2.82Å; I279-I288 HydrophobicContact CG1-CG1 4.45Å; L286-I288 HydrophobicContact CD2-CD1 4.35Å; L286-I288 HydrophobicContact CG-CG1 4.24Å; I288-P291 HydrophobicContact CB-CG 4.44Å; I288-P291 HydrophobicContact CG2-CB 4.29Å; I288-P291 HydrophobicContact CG2-CG 4.18Å; I288-P291 WeakPolarHBondContact O-CD 3.37Å; I288-P291 WeakPolarHBondContact O-CG 3.21Å; I288-F300 HydrophobicContact CD1-CE1 3.67Å; I288-F300 HydrophobicContact CD1-CZ 3.7Å; I288-I318 HydrophobicContact CD1-CD1 3.87Å |
| 289 | H | 88.1 | Confident | 86.8 | Confident | 74 Ų | 74 | 45.7 Ų | 45.7 | 34% | 0.343 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 140.7 | 174.3 | -64.9 | -74.9 | 0 | 0 | 0 | 110.8 | R278 | R278-H289 WeakPolarHBondContact CD-O 3.39Å; R278-H289 HydrophobicContact CG-CB 4.43Å; R278-H289 WeakPolarHBondContact CG-O 3.34Å; R278-H289 PolarHBondContact O-CD2 2.77Å; R278-H289 PolarHBondContact O-N 3.13Å |
| 290 | N | 87.1 | Confident | 87.1 | Confident | 88 Ų | 88 | 45.3 Ų | 45.3 | 47% | 0.471 | 28% | 0.278 | S | S | . | . | S | Bend | trans | 40.4 | 62.2 | -174.8 | -54.6 | -56.9 | 0 | 0 | 0 | 112.9 | K227 D292 | K227-N290 PolarHBondContact O-N 2.85Å; N290-D292 PolarHBondContact O-N 2.83Å |
| 291 | P | 89.1 | Confident | 87.4 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.013 | 26% | 0.262 | C | S | . | . | trans | -51.5 | 136.7 | 178.6 | -21.9 | 29.7 | 0 | 0 | 0 | 111.8 | Y219 A229 I288 D296 I318 F320 | Y219-P291 HydrophobicContact CD1-CB 4.13Å; Y219-P291 HydrophobicContact CD1-CG 4.13Å; Y219-P291 HydrophobicContact CD2-CG 4.1Å; Y219-P291 HydrophobicContact CE1-CB 4.27Å; Y219-P291 HydrophobicContact CE1-CG 4.13Å; Y219-P291 HydrophobicContact CE2-CG 4.11Å; Y219-P291 HydrophobicContact CG-CB 4.47Å; Y219-P291 HydrophobicContact CG-CG 4.12Å; A229-P291 HydrophobicContact CB-CG 3.7Å; I288-P291 HydrophobicContact CB-CG 4.44Å; I288-P291 HydrophobicContact CG2-CB 4.29Å; I288-P291 HydrophobicContact CG2-CG 4.18Å; I288-P291 WeakPolarHBondContact O-CD 3.37Å; I288-P291 WeakPolarHBondContact O-CG 3.21Å; P291-D296 WeakPolarHBondContact CA-OD2 3.39Å; P291-I318 HydrophobicContact CB-CD1 4.41Å; P291-I318 HydrophobicContact CB-CG2 4.48Å; P291-F320 HydrophobicContact CB-CE1 3.81Å; P291-F320 HydrophobicContact CB-CZ 3.85Å | ||
| 292 | D | 86.5 | Confident | 87.9 | Confident | 68 Ų | 68 | 40.1 Ų | 40.1 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | trans | -113.4 | 126.1 | 177.9 | 173.6 | 23.4 | 0 | 0 | 0 | 110.7 | N290 S294 T295 D296 F320 | N290-D292 PolarHBondContact O-N 2.83Å; D292-S294 PolarHBondContact O-N 2.78Å; D292-S294 VanDerWaalsContact O-N 3.1Å; D292-S294 PolarHBondContact OD1-N 3.04Å; D292-S294 PolarHBondContact OD2-OG 3.22Å; D292-T295 PolarHBondContact O-N 3.39Å; D292-T295 VanDerWaalsContact O-N 3.16Å; D292-D296 PolarHBondContact N-OD2 2.84Å; D292-D296 WeakPolarHBondContact O-CB 3.26Å; D292-D296 PolarHBondContact O-N 2.82Å; D292-F320 VanDerWaalsContact C-CZ 3.48Å | ||
| 293 | T | 85.4 | Confident | 88.6 | Confident | 83 Ų | 83 | 36.6 Ų | 36.6 | 51% | 0.509 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -35 | 175.9 | -20.6 | 0 | 0 | 0 | 0 | 113.3 | S297 F320 | T293-S297 WeakPolarHBondContact O-CB 3.37Å; T293-S297 PolarHBondContact O-OG 3.11Å; T293-F320 HydrophobicContact CG2-CB 3.82Å; T293-F320 HydrophobicContact CG2-CD1 4.21Å; T293-F320 HydrophobicContact CG2-CD2 3.81Å; T293-F320 HydrophobicContact CG2-CE2 4.45Å; T293-F320 HydrophobicContact CG2-CG 3.67Å |
| 294 | S | 83 | Confident | 89.4 | Confident | 91 Ų | 91 | 32.5 Ų | 32.5 | 64% | 0.636 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -27.3 | -174.7 | 84.4 | 0 | 0 | 0 | 0 | 113.8 | D292 | D292-S294 PolarHBondContact O-N 2.78Å; D292-S294 VanDerWaalsContact O-N 3.1Å; D292-S294 PolarHBondContact OD1-N 3.04Å; D292-S294 PolarHBondContact OD2-OG 3.22Å |
| 295 | T | 84.8 | Confident | 89.9 | Confident | 62 Ų | 62 | 37.1 Ų | 37.1 | 38% | 0.38 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | -35.4 | -173.6 | 49.6 | 0 | 0 | 0 | 0 | 112.9 | D292 Q298 | D292-T295 PolarHBondContact O-N 3.39Å; D292-T295 VanDerWaalsContact O-N 3.16Å; T295-Q298 PolarHBondContact O-NE2 3.28Å |
| 296 | D | 87.7 | Confident | 90 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -103.8 | 10.2 | -170.4 | -51.4 | -48.5 | 0 | 0 | 0 | 113.8 | R278 P291 D292 Q298 F300 I318 F320 | R278-D296 IonicContact CZ-OD1 2.78Å; R278-D296 IonicContact CZ-OD2 2.69Å; R278-D296 IonicContact NH1-OD1 3.96Å; R278-D296 PolarHBondContact NH1-OD1 2.9Å; R278-D296 IonicContact NH1-OD2 2.65Å; R278-D296 PolarHBondContact NH1-OD2 3.17Å; R278-D296 IonicContact NH2-OD1 3.06Å; R278-D296 PolarHBondContact NH2-OD1 3.43Å; R278-D296 IonicContact NH2-OD2 3.48Å; P291-D296 WeakPolarHBondContact CA-OD2 3.39Å; D292-D296 PolarHBondContact N-OD2 2.84Å; D292-D296 WeakPolarHBondContact O-CB 3.26Å; D292-D296 PolarHBondContact O-N 2.82Å; D296-Q298 PolarHBondContact O-N 3.23Å; D296-F300 HydrophobicContact CB-CZ 4.29Å; D296-F300 WeakPolarHBondContact O-CE2 3.32Å; D296-I318 HydrophobicContact CB-CD1 4.42Å; D296-F320 HydrophobicContact CB-CZ 4.13Å |
| 297 | S | 83.3 | Confident | 89.9 | Confident | 65 Ų | 65 | 43.5 Ų | 43.5 | 46% | 0.455 | 24% | 0.239 | S | C | . | . | trans | -77.6 | 3 | 177.4 | 50.8 | 0 | 0 | 0 | 0 | 114.5 | T293 | T293-S297 WeakPolarHBondContact O-CB 3.37Å; T293-S297 PolarHBondContact O-OG 3.11Å | ||
| 298 | Q | 86.2 | Confident | 89.8 | Confident | 78 Ų | 78 | 46.1 Ų | 46.1 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -78.2 | 171.5 | 179.3 | -63.3 | 177.6 | 72.5 | 0 | 0 | 111.7 | Y247 T295 D296 F300 | Y247-Q298 HydrophobicContact CD1-CB 4.25Å; T295-Q298 PolarHBondContact O-NE2 3.28Å; D296-Q298 PolarHBondContact O-N 3.23Å; Q298-F300 WeakPolarHBondContact O-CD2 2.96Å; Q298-F300 WeakPolarHBondContact O-CE2 3.36Å |
| 299 | M | 92.3 | Very high | 89.8 | Confident | 31 Ų | 31 | 46.3 Ų | 46.3 | 15% | 0.153 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 146.9 | 169.3 | -66.3 | 179.9 | -64.6 | 0 | 0 | 109.9 | Y247 V248 T250 L264 T315 A316 R317 | Y247-M299 CarbonylContact C-O 3.5Å; Y247-M299 WeakPolarHBondContact CA-O 3.2Å; V248-M299 HydrophobicContact CB-CB 3.98Å; V248-M299 HydrophobicContact CB-CE 4.49Å; V248-M299 HydrophobicContact CG1-CE 4.2Å; V248-M299 PolarHBondContact N-O 2.93Å; V248-M299 PolarHBondContact O-N 2.86Å; T250-M299 HydrophobicContact CG2-CE 4.34Å; L264-M299 HydrophobicContact CD2-CE 4.23Å; M299-T315 HydrophobicContact CB-CG2 4.4Å; M299-A316 CarbonylContact C-O 3.57Å; M299-A316 WeakPolarHBondContact CA-O 3.03Å; M299-R317 HydrophobicContact CB-CG 4.31Å; M299-R317 HydrophobicContact CG-CG 3.62Å |
| 300 | F | 94.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 141.8 | 177.5 | -62.1 | -94 | 0 | 0 | 0 | 109.6 | L231 W245 Y246 Y247 I269 L286 I288 D296 Q298 T315 A316 I318 | L231-F300 HydrophobicContact CD1-CB 3.57Å; L231-F300 HydrophobicContact CD1-CD1 4.19Å; L231-F300 HydrophobicContact CD1-CD2 3.61Å; L231-F300 HydrophobicContact CD1-CE2 4.33Å; L231-F300 HydrophobicContact CD1-CG 3.52Å; W245-F300 HydrophobicContact CE3-CB 4.04Å; W245-F300 HydrophobicContact CZ3-CB 3.82Å; Y246-F300 WeakPolarHBondContact O-CA 3.45Å; Y247-F300 HydrophobicContact CD1-CD1 4.14Å; Y247-F300 AromaticContact CD1-CE1 3.68Å; Y247-F300 HydrophobicContact CD1-CE1 3.68Å; Y247-F300 HydrophobicContact CD1-CZ 4.19Å; Y247-F300 HydrophobicContact CE1-CD1 4.16Å; Y247-F300 AromaticContact CE1-CE1 3.32Å; Y247-F300 HydrophobicContact CE1-CE1 3.32Å; Y247-F300 AromaticContact CE1-CZ 3.81Å; Y247-F300 HydrophobicContact CE1-CZ 3.81Å; I269-F300 HydrophobicContact CD1-CD1 3.77Å; I269-F300 HydrophobicContact CD1-CE1 3.99Å; L286-F300 HydrophobicContact CD2-CD1 3.55Å; L286-F300 HydrophobicContact CD2-CE1 3.99Å; L286-F300 HydrophobicContact CD2-CG 4.34Å; I288-F300 HydrophobicContact CD1-CE1 3.67Å; I288-F300 HydrophobicContact CD1-CZ 3.7Å; D296-F300 HydrophobicContact CB-CZ 4.29Å; D296-F300 WeakPolarHBondContact O-CE2 3.32Å; Q298-F300 WeakPolarHBondContact O-CD2 2.96Å; Q298-F300 WeakPolarHBondContact O-CE2 3.36Å; F300-T315 CarbonylContact O-C 3.56Å; F300-T315 VanDerWaalsContact O-CA 3.24Å; F300-T315 WeakPolarHBondContact O-CA 3.48Å; F300-A316 PolarHBondContact N-O 2.91Å; F300-A316 PolarHBondContact O-N 3.01Å; F300-I318 HydrophobicContact CE2-CD1 4.09Å; F300-I318 HydrophobicContact CE2-CG1 4.11Å; F300-I318 HydrophobicContact CZ-CD1 4.24Å |
| 301 | Q | 94.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 138.1 | 176.2 | -171 | 176.4 | 43.4 | 0 | 0 | 110.5 | W245 Y246 V248 S313 T315 | W245-Q301 WeakPolarHBondContact CA-O 3.23Å; Y246-Q301 PolarHBondContact N-O 3.41Å; Y246-Q301 PolarHBondContact O-N 3.13Å; V248-Q301 HydrophobicContact CG2-CB 3.55Å; Q301-S313 WeakPolarHBondContact CG-O 3.35Å; Q301-S313 PolarHBondContact NE2-O 2.9Å; Q301-T315 HydrophobicContact CB-CG2 4.34Å |
| 302 | C | 95.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 137.3 | 179.2 | 178.1 | 0 | 0 | 0 | 0 | 110.1 | C233 K244 W245 S313 | C233-C302 HydrophobicContact CB-CB 3.61Å; C233-C302 WeakPolarHBondContact CB-SG 2.97Å; C233-C302 WeakPolarHBondContact SG-CB 3.36Å; C233-C302 CovalentContact SG-SG 2.04Å; C233-C302 PolarHBondContact SG-SG 3.07Å; K244-C302 CarbonylContact O-C 3.58Å; K244-C302 WeakPolarHBondContact O-CA 3.46Å; W245-C302 HydrophobicContact CD2-CB 4.01Å; W245-C302 HydrophobicContact CE3-CB 4.07Å; W245-C302 HydrophobicContact CH2-CB 3.83Å; W245-C302 HydrophobicContact CZ2-CB 3.73Å; W245-C302 HydrophobicContact CZ3-CB 3.98Å; C302-S313 WeakPolarHBondContact CB-OG 3.34Å; C302-S313 PolarHBondContact N-OG 2.72Å; C302-S313 PolarHBondContact O-N 2.85Å; C302-S313 PolarHBondContact O-OG 3.28Å |
| 303 | E | 95.1 | Very high | 91.1 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 2% | 0.023 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130.1 | 167.9 | 179.8 | -165.2 | 178.6 | 0 | 0 | 108.6 | Y243 K244 Y246 S310 I311 L312 D572 | Y243-E303 CarbonylContact C-O 3.36Å; Y243-E303 VanDerWaalsContact CA-O 3.27Å; Y243-E303 WeakPolarHBondContact CA-O 3.43Å; K244-E303 HydrophobicContact CB-CB 4.32Å; K244-E303 PolarHBondContact N-O 3.26Å; K244-E303 PolarHBondContact O-N 3.41Å; Y246-E303 HydrophobicContact CD2-CB 4.47Å; Y246-E303 HydrophobicContact CE2-CB 3.7Å; Y246-E303 WeakPolarHBondContact CE2-OE2 3.49Å; Y246-E303 PolarHBondContact OH-OE2 2.91Å; E303-S310 WeakPolarHBondContact OE1-CB 3.39Å; E303-S310 PolarHBondContact OE1-OG 3.06Å; E303-I311 WeakPolarHBondContact CA-O 3.42Å; E303-L312 HydrophobicContact CB-CD2 3.84Å; E303-L312 HydrophobicContact CG-CD2 4.11Å; E303-D572 WeakPolarHBondContact OE1-CB 3.4Å |
| 304 | A | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 132.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | P208 F210 A235 P241 T242 Y243 S310 I311 | P208-A304 HydrophobicContact CB-CB 4.17Å; P208-A304 WeakPolarHBondContact CG-O 3.04Å; F210-A304 HydrophobicContact CE1-CB 3.78Å; F210-A304 HydrophobicContact CZ-CB 3.9Å; A235-A304 HydrophobicContact CB-CB 3.5Å; P241-A304 HydrophobicContact CB-CB 4.22Å; T242-A304 CarbonylContact O-C 3.52Å; T242-A304 WeakPolarHBondContact O-CA 3.22Å; Y243-A304 HydrophobicContact CD1-CB 4.12Å; Y243-A304 HydrophobicContact CE1-CB 4.1Å; A304-S310 CarbonylContact O-C 3.45Å; A304-S310 VanDerWaalsContact O-CA 3.23Å; A304-S310 WeakPolarHBondContact O-CA 3.4Å; A304-S310 WeakPolarHBondContact O-CB 3.33Å; A304-I311 HydrophobicContact CB-CD1 4.49Å; A304-I311 HydrophobicContact CB-CG1 4.02Å; A304-I311 PolarHBondContact N-O 3.28Å; A304-I311 PolarHBondContact O-N 2.96Å |
| 305 | K | 94.6 | Very high | 92 | Very high | 98 Ų | 98 | 31.5 Ų | 31.5 | 43% | 0.426 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 137.3 | -172.2 | -178.5 | 173.1 | -179.7 | 176.3 | 0 | 113.3 | P241 T242 G309 | P241-K305 CarbonylContact C-O 3.52Å; P241-K305 WeakPolarHBondContact CA-O 3.07Å; T242-K305 PolarHBondContact N-O 2.7Å; T242-K305 PolarHBondContact O-N 2.85Å; T242-K305 PolarHBondContact OG1-O 2.83Å; T242-K305 VanDerWaalsContact OG1-O 3.12Å; K305-G309 WeakPolarHBondContact CA-O 3.27Å |
| 306 | N | 92.9 | Very high | 92.4 | Very high | 18 Ų | 18 | 28.6 Ų | 28.6 | 10% | 0.096 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | -162.7 | 164.2 | 77.1 | 9.5 | 0 | 0 | 0 | 111.3 | R206 P208 P239 Y308 G309 | R206-N306 PolarHBondContact O-ND2 3.32Å; P208-N306 VanDerWaalsContact CD-OD1 3.31Å; P208-N306 WeakPolarHBondContact CD-OD1 3.29Å; P239-N306 WeakPolarHBondContact O-CB 3.5Å; P239-N306 PolarHBondContact O-ND2 2.87Å; N306-Y308 VanDerWaalsContact C-N 3.26Å; N306-Y308 PolarHBondContact O-N 3.2Å; N306-Y308 WeakPolarHBondContact OD1-CB 3.47Å; N306-Y308 PolarHBondContact OD1-N 3.38Å; N306-G309 PolarHBondContact N-O 2.69Å; N306-G309 PolarHBondContact O-N 2.98Å |
| 307 | I | 90.4 | Very high | 92.6 | Very high | 129 Ų | 129 | 32 Ų | 32 | 66% | 0.662 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -22.3 | -177.3 | 67.7 | 179.9 | 0 | 0 | 0 | 114.2 | P239 | P239-I307 HydrophobicContact CG-CD1 3.95Å; P239-I307 HydrophobicContact CG-CG1 4.34Å |
| 308 | Y | 88.9 | Confident | 93 | Very high | 75 Ų | 75 | 29 Ų | 29 | 29% | 0.294 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -17.4 | 179.9 | -64.6 | -79.7 | 0 | 0 | 0 | 112.6 | A205 R206 N238 N306 G612 | A205-Y308 HydrophobicContact CB-CE2 3.95Å; A205-Y308 WeakPolarHBondContact CB-OH 3.45Å; R206-Y308 VanDerWaalsContact O-CD2 3.29Å; R206-Y308 WeakPolarHBondContact O-CD2 3.25Å; N238-Y308 WeakPolarHBondContact O-CE2 3.36Å; N306-Y308 VanDerWaalsContact C-N 3.26Å; N306-Y308 PolarHBondContact O-N 3.2Å; N306-Y308 WeakPolarHBondContact OD1-CB 3.47Å; N306-Y308 PolarHBondContact OD1-N 3.38Å; Y308-G612 WeakPolarHBondContact O-CA 3.23Å |
| 309 | G | 91.9 | Very high | 93 | Very high | 6 Ų | 6 | 27.6 Ų | 27.6 | 6% | 0.062 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.8 | -166.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K305 N306 N571 | K305-G309 WeakPolarHBondContact CA-O 3.27Å; N306-G309 PolarHBondContact N-O 2.69Å; N306-G309 PolarHBondContact O-N 2.98Å; G309-N571 WeakPolarHBondContact CA-OD1 3.45Å |
| 310 | S | 94.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 150.5 | 175 | 64.4 | 0 | 0 | 0 | 0 | 113.3 | E303 A304 N571 D572 M613 | E303-S310 WeakPolarHBondContact OE1-CB 3.39Å; E303-S310 PolarHBondContact OE1-OG 3.06Å; A304-S310 CarbonylContact O-C 3.45Å; A304-S310 VanDerWaalsContact O-CA 3.23Å; A304-S310 WeakPolarHBondContact O-CA 3.4Å; A304-S310 WeakPolarHBondContact O-CB 3.33Å; S310-N571 PolarHBondContact N-OD1 2.63Å; S310-N571 VanDerWaalsContact OG-CA 3.28Å; S310-N571 WeakPolarHBondContact OG-CA 3.43Å; S310-D572 PolarHBondContact OG-N 3.36Å; S310-M613 WeakPolarHBondContact O-CB 2.96Å |
| 311 | I | 94.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 156.3 | 179.7 | 60.3 | 168 | 0 | 0 | 0 | 110.5 | P208 F210 E303 A304 M613 S628 | P208-I311 HydrophobicContact CB-CD1 3.94Å; P208-I311 HydrophobicContact CB-CG1 3.9Å; P208-I311 HydrophobicContact CG-CB 4.45Å; P208-I311 HydrophobicContact CG-CD1 4.24Å; P208-I311 HydrophobicContact CG-CG1 3.8Å; P208-I311 HydrophobicContact CG-CG2 4.09Å; P208-I311 WeakPolarHBondContact O-CD1 3.47Å; F210-I311 HydrophobicContact CD2-CD1 3.5Å; F210-I311 HydrophobicContact CD2-CG1 4.13Å; F210-I311 HydrophobicContact CE2-CB 4.15Å; F210-I311 HydrophobicContact CE2-CD1 3.46Å; F210-I311 VanDerWaalsContact CE2-CD1 3.46Å; F210-I311 HydrophobicContact CE2-CG1 3.54Å; F210-I311 HydrophobicContact CG-CD1 4.13Å; F210-I311 HydrophobicContact CZ-CD1 4.08Å; F210-I311 HydrophobicContact CZ-CG1 3.93Å; E303-I311 WeakPolarHBondContact CA-O 3.42Å; A304-I311 HydrophobicContact CB-CD1 4.49Å; A304-I311 HydrophobicContact CB-CG1 4.02Å; A304-I311 PolarHBondContact N-O 3.28Å; A304-I311 PolarHBondContact O-N 2.96Å; I311-M613 HydrophobicContact CG2-CB 3.92Å; I311-M613 HydrophobicContact CG2-CE 3.44Å; I311-M613 VanDerWaalsContact CG2-CE 3.44Å; I311-M613 HydrophobicContact CG2-CG 4.21Å; I311-S628 WeakPolarHBondContact CB-OG 3.36Å; I311-S628 VanDerWaalsContact CG2-CB 3.41Å |
| 312 | L | 94.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 137.4 | -177 | -64.7 | 167.3 | 0 | 0 | 0 | 111.3 | F210 E303 Y569 T615 A626 | F210-L312 WeakPolarHBondContact CE2-O 3.09Å; E303-L312 HydrophobicContact CB-CD2 3.84Å; E303-L312 HydrophobicContact CG-CD2 4.11Å; L312-Y569 HydrophobicContact CD1-CD1 3.62Å; L312-Y569 HydrophobicContact CD1-CD2 4.09Å; L312-Y569 HydrophobicContact CD1-CE1 3.95Å; L312-Y569 HydrophobicContact CD1-CE2 4.4Å; L312-Y569 HydrophobicContact CD1-CG 3.7Å; L312-T615 HydrophobicContact CB-CG2 4.2Å; L312-A626 WeakPolarHBondContact O-CB 3.2Å |
| 313 | S | 94.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 170 | 175.5 | 76.8 | 0 | 0 | 0 | 0 | 110.7 | F210 Q301 C302 | F210-S313 VanDerWaalsContact CE2-N 3.26Å; Q301-S313 WeakPolarHBondContact CG-O 3.35Å; Q301-S313 PolarHBondContact NE2-O 2.9Å; C302-S313 WeakPolarHBondContact CB-OG 3.34Å; C302-S313 PolarHBondContact N-OG 2.72Å; C302-S313 PolarHBondContact O-N 2.85Å; C302-S313 PolarHBondContact O-OG 3.28Å |
| 314 | R | 93.8 | Very high | 90.8 | Very high | 78 Ų | 78 | 39.5 Ų | 39.5 | 29% | 0.294 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 161.8 | 156.8 | 81.6 | -174.8 | 79.4 | -164.1 | 1.5 | 111.4 | H213 P214 S624 E625 | H213-R314 HydrophobicContact CB-CG 4Å; H213-R314 PolarHBondContact CD2-NH2 3.03Å; H213-R314 PolarHBondContact ND1-N 3.18Å; P214-R314 WeakPolarHBondContact CG-O 3.37Å; P214-R314 WeakPolarHBondContact O-CD 3.41Å; R314-S624 WeakPolarHBondContact CB-O 3.35Å; R314-E625 VanDerWaalsContact CZ-CD 3.48Å; R314-E625 IonicContact CZ-OE1 3.39Å; R314-E625 IonicContact CZ-OE2 2.68Å; R314-E625 IonicContact NE-OE1 3.09Å; R314-E625 PolarHBondContact NE-OE1 2.77Å; R314-E625 VanDerWaalsContact NE-OE1 3.08Å; R314-E625 IonicContact NE-OE2 2.7Å; R314-E625 IonicContact NH1-OE1 3.67Å; R314-E625 PolarHBondContact NH1-OE1 2.88Å; R314-E625 IonicContact NH1-OE2 2.64Å; R314-E625 PolarHBondContact NH1-OE2 2.84Å; R314-E625 IonicContact NH2-OE1 2.61Å; R314-E625 PolarHBondContact NH2-OE1 2.79Å; R314-E625 IonicContact NH2-OE2 3.08Å; R314-E625 PolarHBondContact NH2-OE2 2.96Å |
| 315 | T | 93.2 | Very high | 90.1 | Very high | 12 Ų | 12 | 45.7 Ų | 45.7 | 7% | 0.074 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 144.9 | 171.9 | 54.7 | 0 | 0 | 0 | 0 | 111.6 | V248 M299 F300 Q301 S624 | V248-T315 HydrophobicContact CB-CG2 4.42Å; V248-T315 HydrophobicContact CG1-CG2 4.38Å; V248-T315 HydrophobicContact CG2-CG2 4.28Å; M299-T315 HydrophobicContact CB-CG2 4.4Å; F300-T315 CarbonylContact O-C 3.56Å; F300-T315 VanDerWaalsContact O-CA 3.24Å; F300-T315 WeakPolarHBondContact O-CA 3.48Å; Q301-T315 HydrophobicContact CB-CG2 4.34Å; T315-S624 WeakPolarHBondContact CB-OG 3.31Å; T315-S624 VanDerWaalsContact CG2-OG 3.27Å; T315-S624 WeakPolarHBondContact CG2-OG 3.46Å; T315-S624 PolarHBondContact N-OG 3.29Å; T315-S624 PolarHBondContact OG1-N 2.94Å; T315-S624 PolarHBondContact OG1-OG 2.93Å |
| 316 | A | 93.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 159.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | P214 K215 D216 L231 M299 F300 | P214-A316 HydrophobicContact CB-CB 3.78Å; P214-A316 HydrophobicContact CG-CB 4.14Å; K215-A316 WeakPolarHBondContact O-CB 3.38Å; D216-A316 WeakPolarHBondContact OD1-CA 3.13Å; L231-A316 HydrophobicContact CD2-CB 4.03Å; M299-A316 CarbonylContact C-O 3.57Å; M299-A316 WeakPolarHBondContact CA-O 3.03Å; F300-A316 PolarHBondContact N-O 2.91Å; F300-A316 PolarHBondContact O-N 3.01Å |
| 317 | R | 91.6 | Very high | 88.5 | Confident | 70 Ų | 70 | 45 Ų | 45 | 26% | 0.264 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 151.2 | 177.3 | -69.9 | 176.2 | -69.1 | -151.3 | -6.4 | 111.7 | D216 V217 M299 L622 | D216-R317 VanDerWaalsContact CA-O 3.29Å; D216-R317 WeakPolarHBondContact CA-O 3.01Å; D216-R317 PolarHBondContact OD1-N 3.22Å; V217-R317 PolarHBondContact N-O 2.9Å; M299-R317 HydrophobicContact CB-CG 4.31Å; M299-R317 HydrophobicContact CG-CG 3.62Å; R317-L622 PolarHBondContact NH2-O 3.49Å |
| 318 | I | 90.4 | Very high | 87.7 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 111.4 | 159.6 | -59 | 171.9 | 0 | 0 | 0 | 106.6 | V217 A229 I288 P291 D296 F300 F320 | V217-I318 CarbonylContact O-C 3.6Å; V217-I318 WeakPolarHBondContact O-CA 3.49Å; A229-I318 HydrophobicContact CB-CD1 3.76Å; A229-I318 HydrophobicContact CB-CG1 4.09Å; A229-I318 HydrophobicContact CB-CG2 4.33Å; I288-I318 HydrophobicContact CD1-CD1 3.87Å; P291-I318 HydrophobicContact CB-CD1 4.41Å; P291-I318 HydrophobicContact CB-CG2 4.48Å; D296-I318 HydrophobicContact CB-CD1 4.42Å; F300-I318 HydrophobicContact CE2-CD1 4.09Å; F300-I318 HydrophobicContact CE2-CG1 4.11Å; F300-I318 HydrophobicContact CZ-CD1 4.24Å; I318-F320 HydrophobicContact CB-CE2 4.14Å; I318-F320 HydrophobicContact CB-CZ 4.41Å; I318-F320 HydrophobicContact CG2-CD2 4.31Å; I318-F320 HydrophobicContact CG2-CE1 4.24Å; I318-F320 HydrophobicContact CG2-CE2 3.82Å; I318-F320 HydrophobicContact CG2-CZ 3.78Å; I318-F320 WeakPolarHBondContact O-CD2 3.5Å |
| 319 | I | 87.5 | Confident | 87.2 | Confident | 47 Ų | 47 | 52.7 Ų | 52.7 | 24% | 0.241 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 120.2 | 175.1 | -57.6 | -177.3 | 0 | 0 | 0 | 106.7 | D216 V217 L218 Y219 G321 F410 | D216-I319 HydrophobicContact CB-CD1 4.14Å; D216-I319 HydrophobicContact CB-CG1 4.5Å; V217-I319 PolarHBondContact O-N 2.68Å; L218-I319 CarbonylContact C-O 3.6Å; L218-I319 WeakPolarHBondContact CA-O 3.33Å; L218-I319 HydrophobicContact CD1-CB 4.09Å; L218-I319 HydrophobicContact CD1-CG2 3.78Å; L218-I319 WeakPolarHBondContact CD1-O 3.42Å; Y219-I319 PolarHBondContact N-O 2.93Å; I319-G321 PolarHBondContact O-N 3.37Å; I319-F410 HydrophobicContact CD1-CE2 3.78Å; I319-F410 HydrophobicContact CD1-CZ 3.64Å |
| 320 | F | 87.2 | Confident | 86.7 | Confident | 41 Ų | 41 | 57.9 Ų | 57.9 | 18% | 0.18 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 111.3 | 177.8 | -69.2 | -90 | 0 | 0 | 0 | 109.5 | Y219 P291 D292 T293 D296 I318 | Y219-F320 HydrophobicContact CD1-CD1 4.16Å; Y219-F320 HydrophobicContact CD1-CE1 4.05Å; P291-F320 HydrophobicContact CB-CE1 3.81Å; P291-F320 HydrophobicContact CB-CZ 3.85Å; D292-F320 VanDerWaalsContact C-CZ 3.48Å; T293-F320 HydrophobicContact CG2-CB 3.82Å; T293-F320 HydrophobicContact CG2-CD1 4.21Å; T293-F320 HydrophobicContact CG2-CD2 3.81Å; T293-F320 HydrophobicContact CG2-CE2 4.45Å; T293-F320 HydrophobicContact CG2-CG 3.67Å; D296-F320 HydrophobicContact CB-CZ 4.13Å; I318-F320 HydrophobicContact CB-CE2 4.14Å; I318-F320 HydrophobicContact CB-CZ 4.41Å; I318-F320 HydrophobicContact CG2-CD2 4.31Å; I318-F320 HydrophobicContact CG2-CE1 4.24Å; I318-F320 HydrophobicContact CG2-CE2 3.82Å; I318-F320 HydrophobicContact CG2-CZ 3.78Å; I318-F320 WeakPolarHBondContact O-CD2 3.5Å |
| 321 | G | 85.1 | Confident | 86.4 | Confident | 14 Ų | 14 | 59.9 Ų | 59.9 | 14% | 0.144 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 163.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y219 I319 S352 | Y219-G321 PolarHBondContact O-N 2.77Å; I319-G321 PolarHBondContact O-N 3.37Å; G321-S352 WeakPolarHBondContact CA-O 2.99Å |
| 322 | Q | 84.1 | Confident | 86.2 | Confident | 106 Ų | 106 | 67 Ų | 67 | 50% | 0.495 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 141.6 | 175.6 | -175.1 | 174.6 | -12 | 0 | 0 | 108.7 | E324 H351 S352 | Q322-E324 HydrophobicContact CG-CG 4.4Å; Q322-E324 PolarHBondContact NE2-OE1 2.91Å; Q322-E324 VanDerWaalsContact NE2-OE1 3.16Å; Q322-H351 CarbonylContact O-C 3.54Å; Q322-H351 WeakPolarHBondContact O-CA 3.35Å; Q322-H351 WeakPolarHBondContact O-CB 3.36Å; Q322-S352 PolarHBondContact N-O 3.13Å; Q322-S352 VanDerWaalsContact N-O 3.1Å; Q322-S352 PolarHBondContact O-N 3.45Å |
| 323 | L | 84.8 | Confident | 86 | Confident | 26 Ų | 26 | 71.9 Ų | 71.9 | 14% | 0.136 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 109.5 | 166.8 | -175.9 | 63.2 | 0 | 0 | 0 | 107.2 | M223 P349 H351 L357 I406 M408 Y416 | M223-L323 HydrophobicContact CE-CD2 3.86Å; M223-L323 HydrophobicContact SD-CB 3.54Å; M223-L323 VanDerWaalsContact SD-CB 3.54Å; M223-L323 HydrophobicContact SD-CD2 3.69Å; M223-L323 HydrophobicContact SD-CG 4.23Å; L323-P349 HydrophobicContact CD1-CG 3.84Å; L323-H351 HydrophobicContact CD1-CB 3.81Å; L323-L357 HydrophobicContact CD1-CD2 4.38Å; L323-I406 HydrophobicContact CD1-CD1 4.29Å; L323-M408 HydrophobicContact CB-SD 4.2Å; L323-M408 HydrophobicContact CD2-SD 4.27Å; L323-Y416 HydrophobicContact CD2-CD1 3.59Å; L323-Y416 HydrophobicContact CD2-CE1 3.63Å |
| 324 | E | 83.3 | Confident | 85.9 | Confident | 100 Ų | 100 | 76.9 Ų | 76.9 | 47% | 0.467 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 166.8 | 177.7 | -67.5 | -168.8 | 177.8 | 0 | 0 | 111.6 | Q322 P349 A350 | Q322-E324 HydrophobicContact CG-CG 4.4Å; Q322-E324 PolarHBondContact NE2-OE1 2.91Å; Q322-E324 VanDerWaalsContact NE2-OE1 3.16Å; E324-P349 HydrophobicContact CB-CB 4.25Å; E324-P349 VanDerWaalsContact O-CB 3.24Å; E324-P349 WeakPolarHBondContact O-CB 3.45Å; E324-P349 WeakPolarHBondContact O-CG 3.43Å; E324-A350 HydrophobicContact CB-CB 4.42Å; E324-A350 HydrophobicContact CG-CB 4.09Å; E324-A350 PolarHBondContact N-O 3.03Å |
| 325 | T | 80.1 | Confident | 85.8 | Confident | 129 Ų | 129 | 76.8 Ų | 76.8 | 79% | 0.791 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 139.9 | 175.1 | 52.3 | 0 | 0 | 0 | 0 | 111.2 | ||
| 326 | A | 78.8 | Confident | 85.7 | Confident | 40 Ų | 40 | 76.6 Ų | 76.6 | 33% | 0.331 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 144.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | K328 L421 | A326-K328 PolarHBondContact O-N 3.13Å; A326-L421 HydrophobicContact CB-CD2 3.77Å |
| 327 | P | 74.6 | Confident | 85.4 | Confident | 62 Ų | 62 | 79.5 Ų | 79.5 | 40% | 0.403 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 130.5 | 174.1 | -19.2 | 29.4 | 0 | 0 | 0 | 110.2 | P422 | P327-P422 WeakPolarHBondContact O-CG 3.24Š|
| 328 | K | 74.3 | Confident | 85.2 | Confident | 203 Ų | 203 | 76.5 Ų | 76.5 | 88% | 0.883 | 39% | 0.393 | S | S | * | . | trans | -87.1 | -11.2 | 179.5 | -67.9 | -173.5 | -179.2 | -179.8 | 0 | 113.9 | A326 | A326-K328 PolarHBondContact O-N 3.13Š| ||
| 329 | Q | 78.3 | Confident | 84.8 | Confident | 163 Ų | 163 | 79.3 Ų | 79.3 | 76% | 0.762 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -72.6 | 127.9 | -175.4 | -67.9 | -175.6 | 0.4 | 0 | 0 | 110 | ||
| 330 | P | 81.4 | Confident | 84.8 | Confident | 115 Ų | 115 | 80.3 Ų | 80.3 | 75% | 0.747 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 141.1 | 173.8 | 26.4 | -31.9 | 0 | 0 | 0 | 109.7 | ||
| 331 | R | 88.4 | Confident | 84.9 | Confident | 45 Ų | 45 | 79.1 Ų | 79.1 | 17% | 0.17 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 142.7 | 179.1 | -66.5 | 179.4 | 170.5 | -174 | 3.9 | 110.5 | P345 C346 E347 P422 M424 | R331-P345 PolarHBondContact NH1-O 3.45Å; R331-C346 VanDerWaalsContact NH2-C 3.34Å; R331-C346 PolarHBondContact NH2-O 3.25Å; R331-E347 IonicContact CZ-OE2 3.3Å; R331-E347 IonicContact NE-OE2 2.79Å; R331-E347 PolarHBondContact NE-OE2 3.41Å; R331-E347 VanDerWaalsContact NH2-CG 3.29Å; R331-E347 IonicContact NH2-OE2 2.85Å; R331-E347 PolarHBondContact NH2-OE2 3.05Å; R331-P422 HydrophobicContact CG-CB 4.24Å; R331-M424 PolarHBondContact NH1-SD 2.95Å |
| 332 | N | 89.1 | Confident | 85.2 | Confident | 150 Ų | 150 | 79.7 Ų | 79.7 | 80% | 0.802 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 143.8 | 170.3 | -68.6 | -28.3 | 0 | 0 | 0 | 109.7 | R334 | N332-R334 PolarHBondContact O-N 2.85Š|
| 333 | E | 91.8 | Very high | 85.6 | Confident | 103 Ų | 103 | 75.9 Ų | 75.9 | 48% | 0.481 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 126.6 | 172.8 | -178.4 | -178.9 | -156.5 | 0 | 0 | 110 | I335 P425 T427 | E333-I335 HydrophobicContact CG-CG1 4.01Å; E333-P425 WeakPolarHBondContact CA-O 3.5Å; E333-P425 HydrophobicContact CB-CB 4.05Å; E333-P425 HydrophobicContact CG-CB 4.1Å; E333-T427 VanDerWaalsContact OE1-CB 3.26Å; E333-T427 WeakPolarHBondContact OE1-CB 3.05Å; E333-T427 PolarHBondContact OE1-OG1 2.9Å |
| 334 | R | 92.3 | Very high | 86 | Confident | 105 Ų | 105 | 75 Ų | 75 | 40% | 0.396 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 116.9 | 175.9 | -171.2 | 144.1 | -179.2 | 162.6 | -6.5 | 109.1 | N332 V336 E342 L344 P425 F426 T427 | N332-R334 PolarHBondContact O-N 2.85Å; R334-V336 HydrophobicContact CG-CG2 4.26Å; R334-E342 IonicContact CZ-OE1 2.77Å; R334-E342 IonicContact CZ-OE2 3.14Å; R334-E342 VanDerWaalsContact NE-CD 3.34Å; R334-E342 IonicContact NE-OE1 2.64Å; R334-E342 IonicContact NE-OE2 3.55Å; R334-E342 PolarHBondContact NE-OE2 2.95Å; R334-E342 IonicContact NH2-OE1 3.67Å; R334-E342 PolarHBondContact NH2-OE1 2.93Å; R334-E342 IonicContact NH2-OE2 2.87Å; R334-E342 PolarHBondContact NH2-OE2 3.04Å; R334-E342 VanDerWaalsContact NH2-OE2 3.14Å; R334-L344 HydrophobicContact CB-CD2 4.48Å; R334-L344 HydrophobicContact CG-CD2 4.36Å; R334-P425 PolarHBondContact N-O 2.95Å; R334-F426 HydrophobicContact CB-CD2 4.14Å; R334-F426 HydrophobicContact CG-CD2 4.31Å; R334-F426 HydrophobicContact CG-CE2 4.47Å; R334-F426 WeakPolarHBondContact O-CA 3.46Å; R334-F426 WeakPolarHBondContact O-CD2 3.49Å; R334-T427 PolarHBondContact O-N 3.43Å |
| 335 | I | 91.9 | Very high | 86.4 | Confident | 77 Ų | 77 | 72.5 Ų | 72.5 | 40% | 0.395 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 122.7 | -176 | -56.4 | 173.9 | 0 | 0 | 0 | 108.8 | E333 T427 R429 | E333-I335 HydrophobicContact CG-CG1 4.01Å; I335-T427 WeakPolarHBondContact CA-O 3.31Å; I335-R429 HydrophobicContact CG2-CG 4.05Å |
| 336 | V | 90.8 | Very high | 86.9 | Confident | 8 Ų | 8 | 66.4 Ų | 66.4 | 5% | 0.048 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 152.4 | -177.1 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | R334 Q340 E342 V394 F426 T427 V428 R429 | R334-V336 HydrophobicContact CG-CG2 4.26Å; V336-Q340 HydrophobicContact CG1-CB 4.06Å; V336-E342 HydrophobicContact CG1-CB 4.43Å; V336-E342 HydrophobicContact CG2-CB 4.38Å; V336-E342 HydrophobicContact CG2-CG 3.89Å; V336-E342 WeakPolarHBondContact CG2-OE2 3.5Å; V336-V394 HydrophobicContact CG1-CG2 3.76Å; V336-F426 HydrophobicContact CB-CE2 4.05Å; V336-F426 HydrophobicContact CB-CZ 4.27Å; V336-F426 HydrophobicContact CG2-CE2 3.64Å; V336-F426 HydrophobicContact CG2-CZ 4.27Å; V336-T427 PolarHBondContact N-O 3.2Å; V336-V428 CarbonylContact O-C 3.52Å; V336-V428 VanDerWaalsContact O-CA 3.27Å; V336-V428 WeakPolarHBondContact O-CA 3.46Å; V336-R429 PolarHBondContact O-N 3.33Å |
| 337 | M | 88.1 | Confident | 87.4 | Confident | 61 Ų | 61 | 69.6 Ų | 69.6 | 30% | 0.3 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 139.4 | 177.3 | -61.1 | -59.2 | -74.8 | 0 | 0 | 109.9 | Q340 V394 R429 Y430 | M337-Q340 HydrophobicContact CB-CG 4.37Å; M337-Q340 WeakPolarHBondContact O-CB 3.25Å; M337-Q340 WeakPolarHBondContact O-CG 3.23Å; M337-Q340 PolarHBondContact O-N 3.32Å; M337-V394 VanDerWaalsContact O-CG2 3.28Å; M337-V394 WeakPolarHBondContact O-CG2 3.24Å; M337-R429 CarbonylContact C-O 3.55Å; M337-R429 WeakPolarHBondContact CA-O 3.43Å; M337-R429 HydrophobicContact CE-CB 4.5Å; M337-R429 HydrophobicContact SD-CB 3.77Å; M337-Y430 WeakPolarHBondContact CE-O 3.05Å |
| 338 | S | 85.9 | Confident | 88 | Confident | 8 Ų | 8 | 68.4 Ų | 68.4 | 6% | 0.056 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 147.6 | 176.4 | -174.3 | 0 | 0 | 0 | 0 | 110.7 | Q340 R429 S431 | S338-Q340 VanDerWaalsContact C-N 3.27Å; S338-Q340 PolarHBondContact O-N 3.16Å; S338-R429 WeakPolarHBondContact CB-O 3.32Å; S338-R429 PolarHBondContact N-O 2.03Å; S338-S431 WeakPolarHBondContact O-CB 3.31Å |
| 339 | H | 82.9 | Confident | 88.6 | Confident | 62 Ų | 62 | 59.2 Ų | 59.2 | 29% | 0.287 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 1 | -175.9 | -48.3 | -65.5 | 0 | 0 | 0 | 116.5 | E393 V394 | H339-E393 IonicContact CE1-OE1 2.93Å; H339-E393 IonicContact CG-OE1 3.43Å; H339-E393 IonicContact ND1-OE1 3.84Å; H339-E393 PolarHBondContact ND1-OE1 3.05Å; H339-V394 PolarHBondContact N-O 2.9Å |
| 340 | Q | 87.2 | Confident | 89 | Confident | 68 Ų | 68 | 54.1 Ų | 54.1 | 32% | 0.318 | 29% | 0.286 | S | S | . | . | trans | -90.6 | 156.6 | 169.8 | -62 | -178.6 | -16.4 | 0 | 0 | 110.7 | V336 M337 S338 V394 E433 | V336-Q340 HydrophobicContact CG1-CB 4.06Å; M337-Q340 HydrophobicContact CB-CG 4.37Å; M337-Q340 WeakPolarHBondContact O-CB 3.25Å; M337-Q340 WeakPolarHBondContact O-CG 3.23Å; M337-Q340 PolarHBondContact O-N 3.32Å; S338-Q340 VanDerWaalsContact C-N 3.27Å; S338-Q340 PolarHBondContact O-N 3.16Å; Q340-V394 HydrophobicContact CB-CG2 4.47Å; Q340-V394 WeakPolarHBondContact O-CG2 3.25Å; Q340-V394 PolarHBondContact O-N 2.85Å; Q340-E433 PolarHBondContact NE2-OE2 2.85Å; Q340-E433 VanDerWaalsContact NE2-OE2 3.1Å | ||
| 341 | S | 89.2 | Confident | 89.2 | Confident | 16 Ų | 16 | 50.8 Ų | 50.8 | 11% | 0.112 | 26% | 0.261 | C | S | . | . | trans | -86.9 | 146.4 | 168.1 | 66 | 0 | 0 | 0 | 0 | 110.9 | F391 S392 Q436 Y441 A465 | S341-F391 VanDerWaalsContact CA-O 3.31Å; S341-F391 WeakPolarHBondContact CA-O 3.5Å; S341-F391 WeakPolarHBondContact CB-O 3.47Å; S341-S392 WeakPolarHBondContact CB-O 3.31Å; S341-Q436 PolarHBondContact OG-NE2 2.96Å; S341-Q436 PolarHBondContact OG-OE1 2.9Å; S341-Q436 VanDerWaalsContact OG-OE1 3.12Å; S341-Y441 WeakPolarHBondContact CB-OH 3.34Å; S341-Y441 PolarHBondContact OG-OH 3.02Å; S341-A465 WeakPolarHBondContact OG-CB 3.3Å | ||
| 342 | E | 92.3 | Very high | 89 | Confident | 27 Ų | 27 | 51 Ų | 51 | 13% | 0.126 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 154.8 | 176.4 | -172.6 | 60.6 | -79.5 | 0 | 0 | 111.8 | R334 V336 L344 F391 V394 F426 | R334-E342 IonicContact CZ-OE1 2.77Å; R334-E342 IonicContact CZ-OE2 3.14Å; R334-E342 VanDerWaalsContact NE-CD 3.34Å; R334-E342 IonicContact NE-OE1 2.64Å; R334-E342 IonicContact NE-OE2 3.55Å; R334-E342 PolarHBondContact NE-OE2 2.95Å; R334-E342 IonicContact NH2-OE1 3.67Å; R334-E342 PolarHBondContact NH2-OE1 2.93Å; R334-E342 IonicContact NH2-OE2 2.87Å; R334-E342 PolarHBondContact NH2-OE2 3.04Å; R334-E342 VanDerWaalsContact NH2-OE2 3.14Å; V336-E342 HydrophobicContact CG1-CB 4.43Å; V336-E342 HydrophobicContact CG2-CB 4.38Å; V336-E342 HydrophobicContact CG2-CG 3.89Å; V336-E342 WeakPolarHBondContact CG2-OE2 3.5Å; E342-L344 HydrophobicContact CG-CD2 4.49Å; E342-F391 PolarHBondContact N-O 3.38Å; E342-F391 VanDerWaalsContact N-O 3.08Å; E342-F391 PolarHBondContact O-N 3.13Å; E342-V394 HydrophobicContact CB-CG1 3.94Å; E342-F426 HydrophobicContact CB-CZ 4.36Å; E342-F426 HydrophobicContact CG-CE2 3.99Å; E342-F426 HydrophobicContact CG-CZ 4.32Å |
| 343 | T | 92.4 | Very high | 88.8 | Confident | 26 Ų | 26 | 45.6 Ų | 45.6 | 16% | 0.16 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 133.4 | 171.1 | 55.8 | 0 | 0 | 0 | 0 | 111.1 | L388 I389 Y441 F463 | T343-L388 HydrophobicContact CG2-CD1 4.22Å; T343-I389 CarbonylContact C-O 3.5Å; T343-I389 VanDerWaalsContact CA-O 3.25Å; T343-I389 WeakPolarHBondContact CA-O 3.38Å; T343-Y441 HydrophobicContact CG2-CD1 4.17Å; T343-Y441 HydrophobicContact CG2-CE1 3.71Å; T343-Y441 HydrophobicContact CG2-CE2 4.43Å; T343-F463 HydrophobicContact CG2-CE1 3.94Å |
| 344 | L | 92.8 | Very high | 88.3 | Confident | 7 Ų | 7 | 45 Ų | 45 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 103.6 | 175.2 | -57.9 | 178.3 | 0 | 0 | 0 | 109.4 | R334 E342 L388 I389 F391 Y402 M424 F426 | R334-L344 HydrophobicContact CB-CD2 4.48Å; R334-L344 HydrophobicContact CG-CD2 4.36Å; E342-L344 HydrophobicContact CG-CD2 4.49Å; L344-L388 WeakPolarHBondContact O-CA 3.36Å; L344-I389 HydrophobicContact CB-CB 4.28Å; L344-I389 HydrophobicContact CB-CD1 4.36Å; L344-I389 PolarHBondContact N-O 2.97Å; L344-I389 PolarHBondContact O-N 3.11Å; L344-F391 HydrophobicContact CD1-CE2 3.79Å; L344-F391 HydrophobicContact CD1-CZ 4.34Å; L344-F391 HydrophobicContact CG-CE2 4.03Å; L344-Y402 HydrophobicContact CD1-CD2 4Å; L344-Y402 HydrophobicContact CD1-CE2 4.4Å; L344-Y402 HydrophobicContact CD1-CG 4.35Å; L344-M424 HydrophobicContact CB-SD 4.18Å; L344-F426 HydrophobicContact CD1-CB 4.14Å; L344-F426 HydrophobicContact CD1-CD1 4.42Å; L344-F426 HydrophobicContact CD1-CD2 4.24Å; L344-F426 HydrophobicContact CD1-CG 4.02Å; L344-F426 HydrophobicContact CD2-CD2 3.97Å; L344-F426 HydrophobicContact CD2-CE2 4.33Å |
| 345 | P | 92.1 | Very high | 87.9 | Confident | 47 Ų | 47 | 41.6 Ų | 41.6 | 31% | 0.305 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 138.3 | 176.9 | 28.9 | -33.3 | 0 | 0 | 0 | 110.8 | R331 E347 | R331-P345 PolarHBondContact NH1-O 3.45Å; P345-E347 VanDerWaalsContact C-N 3.28Å; P345-E347 HydrophobicContact CB-CG 4.08Å; P345-E347 HydrophobicContact CG-CG 4.12Å; P345-E347 PolarHBondContact O-N 2.95Å |
| 346 | C | 91.1 | Very high | 87.6 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | trans | -72.5 | -21.3 | 175.5 | -69.4 | 0 | 0 | 0 | 0 | 112.4 | R331 Y359 G387 C404 | R331-C346 VanDerWaalsContact NH2-C 3.34Å; R331-C346 PolarHBondContact NH2-O 3.25Å; C346-Y359 HydrophobicContact CB-CD1 3.93Å; C346-Y359 HydrophobicContact CB-CE1 4.16Å; C346-G387 VanDerWaalsContact CB-O 3.23Å; C346-G387 WeakPolarHBondContact CB-O 3.27Å; C346-G387 PolarHBondContact N-O 2.72Å; C346-C404 HydrophobicContact CB-CB 3.6Å; C346-C404 WeakPolarHBondContact CB-SG 3.31Å; C346-C404 WeakPolarHBondContact SG-CB 3.02Å; C346-C404 CovalentContact SG-SG 2.05Å; C346-C404 PolarHBondContact SG-SG 3.27Å | ||
| 347 | E | 88.1 | Confident | 87.6 | Confident | 108 Ų | 108 | 37.9 Ų | 37.9 | 51% | 0.505 | 22% | 0.218 | S | C | . | . | trans | 41.4 | 68.4 | -176.1 | -36.3 | 168.4 | 148.6 | 0 | 0 | 112.5 | R331 P345 | R331-E347 IonicContact CZ-OE2 3.3Å; R331-E347 IonicContact NE-OE2 2.79Å; R331-E347 PolarHBondContact NE-OE2 3.41Å; R331-E347 VanDerWaalsContact NH2-CG 3.29Å; R331-E347 IonicContact NH2-OE2 2.85Å; R331-E347 PolarHBondContact NH2-OE2 3.05Å; P345-E347 VanDerWaalsContact C-N 3.28Å; P345-E347 HydrophobicContact CB-CG 4.08Å; P345-E347 HydrophobicContact CG-CG 4.12Å; P345-E347 PolarHBondContact O-N 2.95Å | ||
| 348 | P | 88.5 | Confident | 87.7 | Confident | 37 Ų | 37 | 36.9 Ų | 36.9 | 24% | 0.24 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -61.6 | 156.7 | 177 | 31.7 | -38.8 | 0 | 0 | 0 | 110.9 | L357 Y359 I406 | P348-L357 HydrophobicContact CB-CD1 3.61Å; P348-L357 HydrophobicContact CG-CD1 4.21Å; P348-Y359 HydrophobicContact CB-CE1 4.23Å; P348-Y359 HydrophobicContact CG-CE1 4.14Å; P348-I406 HydrophobicContact CB-CD1 4.3Å; P348-I406 HydrophobicContact CB-CG2 4.43Å |
| 349 | P | 86.5 | Confident | 88 | Confident | 10 Ų | 10 | 37.6 Ų | 37.6 | 7% | 0.065 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -56.7 | 158.6 | 167.9 | 24.9 | -33.3 | 0 | 0 | 0 | 111.5 | L323 E324 H351 I406 | L323-P349 HydrophobicContact CD1-CG 3.84Å; E324-P349 HydrophobicContact CB-CB 4.25Å; E324-P349 VanDerWaalsContact O-CB 3.24Å; E324-P349 WeakPolarHBondContact O-CB 3.45Å; E324-P349 WeakPolarHBondContact O-CG 3.43Å; P349-H351 PolarHBondContact O-N 2.73Å; P349-H351 PolarHBondContact O-ND1 3.34Å; P349-I406 HydrophobicContact CG-CD1 4.03Å |
| 350 | A | 85.2 | Confident | 88.3 | Confident | 55 Ų | 55 | 37.4 Ų | 37.4 | 46% | 0.455 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -58.4 | 132.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | E324 | E324-A350 HydrophobicContact CB-CB 4.42Å; E324-A350 HydrophobicContact CG-CB 4.09Å; E324-A350 PolarHBondContact N-O 3.03Å |
| 351 | H | 87.6 | Confident | 88.5 | Confident | 46 Ų | 46 | 34.2 Ų | 34.2 | 21% | 0.213 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 158.7 | -173 | 61.3 | -80.3 | 0 | 0 | 0 | 111.8 | Q322 L323 P349 P353 P354 L357 | Q322-H351 CarbonylContact O-C 3.54Å; Q322-H351 WeakPolarHBondContact O-CA 3.35Å; Q322-H351 WeakPolarHBondContact O-CB 3.36Å; L323-H351 HydrophobicContact CD1-CB 3.81Å; P349-H351 PolarHBondContact O-N 2.73Å; P349-H351 PolarHBondContact O-ND1 3.34Å; H351-P353 PolarHBondContact CD2-O 2.88Å; H351-P354 PolarHBondContact NE2-O 2.7Å; H351-L357 HydrophobicContact CB-CD1 4.43Å; H351-L357 VanDerWaalsContact CE1-CD1 3.48Å; H351-L357 WeakPolarHBondContact CE1-CD1 3.03Å; H351-L357 WeakPolarHBondContact ND1-CD1 3.36Å |
| 352 | S | 83.5 | Confident | 88.7 | Confident | 50 Ų | 50 | 36.5 Ų | 36.5 | 35% | 0.35 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 135.2 | 174.2 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | G321 Q322 | G321-S352 WeakPolarHBondContact CA-O 2.99Å; Q322-S352 PolarHBondContact N-O 3.13Å; Q322-S352 VanDerWaalsContact N-O 3.1Å; Q322-S352 PolarHBondContact O-N 3.45Å |
| 353 | P | 85.6 | Confident | 88.5 | Confident | 36 Ų | 36 | 35.8 Ų | 35.8 | 23% | 0.234 | 21% | 0.207 | C | C | . | . | S | Bend | cis | -76.5 | 160.4 | 1.3 | 28.3 | -31 | 0 | 0 | 0 | 114 | H351 D355 S356 | H351-P353 PolarHBondContact CD2-O 2.88Å; P353-D355 VanDerWaalsContact C-N 3.27Å; P353-D355 PolarHBondContact O-N 3.14Å; P353-D355 VanDerWaalsContact O-N 3.1Å; P353-S356 WeakPolarHBondContact O-CB 3.12Å; P353-S356 PolarHBondContact O-N 2.86Å; P353-S356 VanDerWaalsContact O-N 3.16Å; P353-S356 PolarHBondContact O-OG 3.49Å |
| 354 | P | 79.6 | Confident | 88.2 | Confident | 90 Ų | 90 | 36.7 Ų | 36.7 | 58% | 0.584 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16.3 | -167.9 | 21.2 | -33.1 | 0 | 0 | 0 | 116.8 | H351 | H351-P354 PolarHBondContact NE2-O 2.7Š|
| 355 | D | 85 | Confident | 87.4 | Confident | 34 Ų | 34 | 41 Ų | 41 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | 17.4 | 179.1 | -55.6 | -70.7 | 0 | 0 | 0 | 112.5 | P353 L357 P449 T450 | P353-D355 VanDerWaalsContact C-N 3.27Å; P353-D355 PolarHBondContact O-N 3.14Å; P353-D355 VanDerWaalsContact O-N 3.1Å; D355-L357 VanDerWaalsContact C-N 3.26Å; D355-L357 PolarHBondContact O-N 2.82Å; D355-P449 HydrophobicContact CB-CB 3.66Å; D355-T450 PolarHBondContact OD1-N 3.29Å; D355-T450 PolarHBondContact OD1-OG1 3.01Å; D355-T450 VanDerWaalsContact OD2-CB 3.3Å; D355-T450 WeakPolarHBondContact OD2-CB 3.49Å; D355-T450 PolarHBondContact OD2-N 2.86Å; D355-T450 PolarHBondContact OD2-OG1 3.34Å |
| 356 | S | 86.2 | Confident | 86.6 | Confident | 5 Ų | 5 | 47.2 Ų | 47.2 | 4% | 0.035 | 26% | 0.26 | C | S | . | . | trans | -76.7 | -8.6 | -176.9 | 63.7 | 0 | 0 | 0 | 0 | 114.2 | P353 M408 Q409 | P353-S356 WeakPolarHBondContact O-CB 3.12Å; P353-S356 PolarHBondContact O-N 2.86Å; P353-S356 VanDerWaalsContact O-N 3.16Å; P353-S356 PolarHBondContact O-OG 3.49Å; S356-M408 CarbonylContact O-C 3.36Å; S356-M408 VanDerWaalsContact O-CA 3.32Å; S356-M408 WeakPolarHBondContact O-CA 3.2Å; S356-Q409 PolarHBondContact O-N 3.1Å | ||
| 357 | L | 89.6 | Confident | 86 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 138.8 | -174.6 | -59.1 | -175.6 | 0 | 0 | 0 | 111.8 | L323 P348 H351 D355 Y359 I406 T407 M408 | L323-L357 HydrophobicContact CD1-CD2 4.38Å; P348-L357 HydrophobicContact CB-CD1 3.61Å; P348-L357 HydrophobicContact CG-CD1 4.21Å; H351-L357 HydrophobicContact CB-CD1 4.43Å; H351-L357 VanDerWaalsContact CE1-CD1 3.48Å; H351-L357 WeakPolarHBondContact CE1-CD1 3.03Å; H351-L357 WeakPolarHBondContact ND1-CD1 3.36Å; D355-L357 VanDerWaalsContact C-N 3.26Å; D355-L357 PolarHBondContact O-N 2.82Å; L357-Y359 HydrophobicContact CB-CE2 4.4Å; L357-I406 HydrophobicContact CD1-CB 4.46Å; L357-I406 HydrophobicContact CD1-CD1 3.76Å; L357-I406 HydrophobicContact CD1-CG2 4.47Å; L357-I406 HydrophobicContact CD2-CD1 4.13Å; L357-T407 CarbonylContact C-O 3.6Å; L357-T407 WeakPolarHBondContact CA-O 3.33Å; L357-M408 HydrophobicContact CD2-CB 3.85Å; L357-M408 HydrophobicContact CD2-CG 4.12Å |
| 358 | L | 90.7 | Very high | 85.6 | Confident | 39 Ų | 39 | 50 Ų | 50 | 20% | 0.204 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 144.8 | 164.1 | -68.4 | 175.4 | 0 | 0 | 0 | 109.4 | I406 T407 Q409 W448 | L358-I406 CarbonylContact O-C 3.54Å; L358-I406 VanDerWaalsContact O-CA 3.25Å; L358-I406 WeakPolarHBondContact O-CA 3.49Å; L358-T407 PolarHBondContact N-O 2.94Å; L358-T407 PolarHBondContact O-N 3.18Å; L358-Q409 VanDerWaalsContact CD1-CD 3.4Å; L358-Q409 HydrophobicContact CD1-CG 4.18Å; L358-Q409 HydrophobicContact CG-CG 4.16Å; L358-Q409 VanDerWaalsContact CG-NE2 3.35Å; L358-W448 HydrophobicContact CD2-CH2 3.88Å; L358-W448 HydrophobicContact CD2-CZ2 3.59Å |
| 359 | Y | 91 | Very high | 85.4 | Confident | 23 Ų | 23 | 51.8 Ų | 51.8 | 9% | 0.09 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 125.2 | -176.2 | -56.2 | -90.4 | 0 | 0 | 0 | 110.7 | C346 P348 L357 Q384 G387 I406 | C346-Y359 HydrophobicContact CB-CD1 3.93Å; C346-Y359 HydrophobicContact CB-CE1 4.16Å; P348-Y359 HydrophobicContact CB-CE1 4.23Å; P348-Y359 HydrophobicContact CG-CE1 4.14Å; L357-Y359 HydrophobicContact CB-CE2 4.4Å; Y359-Q384 WeakPolarHBondContact CE2-O 3.42Å; Y359-Q384 PolarHBondContact O-NE2 3.31Å; Y359-G387 VanDerWaalsContact CE2-CA 3.44Å; Y359-G387 VanDerWaalsContact CZ-CA 3.48Å; Y359-I406 HydrophobicContact CD1-CG2 3.57Å; Y359-I406 HydrophobicContact CE1-CG2 3.65Å |
| 360 | T | 90.8 | Very high | 85.4 | Confident | 58 Ų | 58 | 55.6 Ų | 55.6 | 36% | 0.356 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 136.8 | 171 | -46.2 | 0 | 0 | 0 | 0 | 108.7 | Y362 M405 | T360-Y362 HydrophobicContact CG2-CE2 3.7Å; T360-M405 PolarHBondContact N-O 3.28Å; T360-M405 PolarHBondContact O-N 3.29Å |
| 361 | V | 91.7 | Very high | 85.6 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 134.8 | -171.3 | -178 | 0 | 0 | 0 | 0 | 110.1 | V372 I382 I389 Y402 | V361-V372 HydrophobicContact CB-CB 4.23Å; V361-V372 HydrophobicContact CG1-CB 4.08Å; V361-V372 HydrophobicContact CG1-CG2 3.88Å; V361-V372 WeakPolarHBondContact O-CB 3.32Å; V361-V372 PolarHBondContact O-N 3.04Å; V361-I382 HydrophobicContact CB-CD1 3.8Å; V361-I382 HydrophobicContact CG2-CD1 3.79Å; V361-I382 HydrophobicContact CG2-CG1 4.12Å; V361-I382 HydrophobicContact CG2-CG2 4.09Å; V361-I389 HydrophobicContact CB-CD1 4.47Å; V361-I389 HydrophobicContact CG1-CD1 3.43Å; V361-I389 VanDerWaalsContact CG1-CD1 3.43Å; V361-I389 HydrophobicContact CG1-CG1 3.93Å; V361-I389 HydrophobicContact CG2-CD1 4.19Å; V361-I389 HydrophobicContact CG2-CG1 3.89Å; V361-Y402 HydrophobicContact CG1-CD1 4.17Å |
| 362 | Y | 91.6 | Very high | 85.6 | Confident | 64 Ų | 64 | 55.2 Ų | 55.2 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 152.9 | 175.1 | -61.5 | -95.7 | 0 | 0 | 0 | 109.9 | T360 L369 E370 P371 Y402 V403 M405 | T360-Y362 HydrophobicContact CG2-CE2 3.7Å; Y362-L369 HydrophobicContact CD1-CB 4.39Å; Y362-E370 CarbonylContact C-O 3.49Å; Y362-E370 WeakPolarHBondContact CA-O 3.36Å; Y362-P371 HydrophobicContact CD1-CB 4Å; Y362-P371 HydrophobicContact CE1-CB 3.84Å; Y362-Y402 CarbonylContact O-C 3.28Å; Y362-Y402 WeakPolarHBondContact O-CA 3.2Å; Y362-V403 PolarHBondContact N-O 2.86Å; Y362-V403 PolarHBondContact O-N 3.07Å; Y362-M405 HydrophobicContact CD2-CE 4.1Å; Y362-M405 HydrophobicContact CD2-CG 4.13Å; Y362-M405 HydrophobicContact CD2-SD 3.88Å; Y362-M405 HydrophobicContact CE2-CB 4.45Å; Y362-M405 HydrophobicContact CE2-CE 4.18Å; Y362-M405 HydrophobicContact CE2-CG 4.09Å; Y362-M405 HydrophobicContact CE2-SD 3.48Å; Y362-M405 WeakPolarHBondContact CE2-SD 3.44Å |
| 363 | M | 89.4 | Confident | 85.5 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 5% | 0.054 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 124.6 | 170.6 | -177.1 | -171.5 | -86.1 | 0 | 0 | 108.3 | K365 E370 V372 Y402 | M363-K365 HydrophobicContact CG-CG 4.16Å; M363-K365 PolarHBondContact O-N 3.4Å; M363-K365 HydrophobicContact SD-CD 4.17Å; M363-K365 WeakPolarHBondContact SD-CE 3.3Å; M363-K365 HydrophobicContact SD-CG 3.87Å; M363-E370 PolarHBondContact N-O 2.88Å; M363-E370 PolarHBondContact O-N 2.86Å; M363-V372 HydrophobicContact CB-CG2 3.95Å; M363-Y402 HydrophobicContact CB-CD1 4.49Å; M363-Y402 HydrophobicContact CE-CD1 4.4Å; M363-Y402 HydrophobicContact CE-CE1 3.5Å; M363-Y402 HydrophobicContact CE-CE2 3.7Å; M363-Y402 WeakPolarHBondContact CE-OH 3.2Å |
| 364 | N | 85.4 | Confident | 85.3 | Confident | 46 Ų | 46 | 56.6 Ų | 56.6 | 25% | 0.246 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 110.3 | 171.6 | -175.1 | -17.2 | 0 | 0 | 0 | 109.2 | G367 E368 L369 V401 | N364-G367 WeakPolarHBondContact OD1-CA 2.85Å; N364-G367 PolarHBondContact OD1-N 2.99Å; N364-E368 WeakPolarHBondContact CA-O 3.25Å; N364-L369 HydrophobicContact CB-CD2 3.9Å; N364-V401 HydrophobicContact CB-CB 4.22Å; N364-V401 PolarHBondContact N-O 2.82Å |
| 365 | K | 76.1 | Confident | 85.2 | Confident | 97 Ų | 97 | 58.7 Ų | 58.7 | 42% | 0.422 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 120.2 | 169.6 | -71.5 | -171.3 | -168.8 | 156.9 | 0 | 108.8 | M363 G367 E368 E370 | M363-K365 HydrophobicContact CG-CG 4.16Å; M363-K365 PolarHBondContact O-N 3.4Å; M363-K365 HydrophobicContact SD-CD 4.17Å; M363-K365 WeakPolarHBondContact SD-CE 3.3Å; M363-K365 HydrophobicContact SD-CG 3.87Å; K365-G367 PolarHBondContact O-N 2.77Å; K365-G367 VanDerWaalsContact O-N 3.11Å; K365-E368 PolarHBondContact N-O 3.44Å; K365-E368 PolarHBondContact O-N 3.03Å; K365-E368 VanDerWaalsContact O-N 3.09Å; K365-E370 WeakPolarHBondContact CD-OE2 3.18Å; K365-E370 IonicContact NZ-OE2 3.33Å; K365-E370 PolarHBondContact NZ-OE2 3.34Å |
| 366 | N | 76.1 | Confident | 84.9 | Confident | 178 Ų | 178 | 65.8 Ų | 65.8 | 95% | 0.952 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 28.4 | 175.4 | -54.5 | -29 | 0 | 0 | 0 | 114.6 | ||
| 367 | G | 77.8 | Confident | 84.7 | Confident | 63 Ų | 63 | 69.6 Ų | 69.6 | 65% | 0.649 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.4 | -7.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | N364 K365 | N364-G367 WeakPolarHBondContact OD1-CA 2.85Å; N364-G367 PolarHBondContact OD1-N 2.99Å; K365-G367 PolarHBondContact O-N 2.77Å; K365-G367 VanDerWaalsContact O-N 3.11Å |
| 368 | E | 80.6 | Confident | 84.4 | Confident | 104 Ų | 104 | 75.3 Ų | 75.3 | 49% | 0.486 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 137.2 | 175 | -63.2 | -165.5 | 155.3 | 0 | 0 | 111.2 | N364 K365 R1122 | N364-E368 WeakPolarHBondContact CA-O 3.25Å; K365-E368 PolarHBondContact N-O 3.44Å; K365-E368 PolarHBondContact O-N 3.03Å; K365-E368 VanDerWaalsContact O-N 3.09Å; E368-R1122 IonicContact OE1-CZ 3.51Å; E368-R1122 IonicContact OE1-NH1 2.78Å; E368-R1122 PolarHBondContact OE1-NH1 2.78Å; E368-R1122 IonicContact OE1-NH2 3.16Å; E368-R1122 PolarHBondContact OE1-NH2 3.27Å |
| 369 | L | 83.7 | Confident | 84.2 | Confident | 74 Ų | 74 | 75.4 Ų | 75.4 | 39% | 0.387 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 107.9 | 176.7 | -72.5 | 170.7 | 0 | 0 | 0 | 110 | Y362 N364 V403 M405 | Y362-L369 HydrophobicContact CD1-CB 4.39Å; N364-L369 HydrophobicContact CB-CD2 3.9Å; L369-V403 HydrophobicContact CD2-CB 4.11Å; L369-V403 HydrophobicContact CD2-CG2 3.77Å; L369-M405 HydrophobicContact CD1-CE 4.13Å |
| 370 | E | 86.3 | Confident | 84.1 | Confident | 90 Ų | 90 | 74.4 Ų | 74.4 | 42% | 0.421 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 132.8 | 172.5 | -66.5 | -178.4 | 168 | 0 | 0 | 110 | Y362 M363 K365 V372 | Y362-E370 CarbonylContact C-O 3.49Å; Y362-E370 WeakPolarHBondContact CA-O 3.36Å; M363-E370 PolarHBondContact N-O 2.88Å; M363-E370 PolarHBondContact O-N 2.86Å; K365-E370 WeakPolarHBondContact CD-OE2 3.18Å; K365-E370 IonicContact NZ-OE2 3.33Å; K365-E370 PolarHBondContact NZ-OE2 3.34Å; E370-V372 PolarHBondContact O-N 3.41Å |
| 371 | P | 88.7 | Confident | 84.2 | Confident | 75 Ų | 75 | 71.6 Ų | 71.6 | 49% | 0.487 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 133.2 | 174.8 | 26.7 | -32.7 | 0 | 0 | 0 | 110.7 | Y362 L373 | Y362-P371 HydrophobicContact CD1-CB 4Å; Y362-P371 HydrophobicContact CE1-CB 3.84Å; P371-L373 PolarHBondContact O-N 3.29Å |
| 372 | V | 87.3 | Confident | 84.3 | Confident | 18 Ų | 18 | 72.2 Ų | 72.2 | 11% | 0.109 | 36% | 0.359 | C | S | . | . | trans | -82.7 | 114.6 | 174.3 | 178.9 | 0 | 0 | 0 | 0 | 108.2 | V361 M363 E370 P374 L380 I382 Y402 | V361-V372 HydrophobicContact CB-CB 4.23Å; V361-V372 HydrophobicContact CG1-CB 4.08Å; V361-V372 HydrophobicContact CG1-CG2 3.88Å; V361-V372 WeakPolarHBondContact O-CB 3.32Å; V361-V372 PolarHBondContact O-N 3.04Å; M363-V372 HydrophobicContact CB-CG2 3.95Å; E370-V372 PolarHBondContact O-N 3.41Å; V372-P374 WeakPolarHBondContact O-CD 3.47Å; V372-L380 HydrophobicContact CG1-CD1 3.6Å; V372-L380 HydrophobicContact CG1-CD2 3.39Å; V372-L380 HydrophobicContact CG1-CG 4.17Å; V372-I382 HydrophobicContact CG1-CD1 4.4Å; V372-Y402 HydrophobicContact CG2-CD1 4.26Å; V372-Y402 HydrophobicContact CG2-CE1 4.23Å | ||
| 373 | L | 83.3 | Confident | 84.4 | Confident | 90 Ų | 90 | 69.2 Ų | 69.2 | 47% | 0.471 | 35% | 0.347 | S | S | . | . | trans | -107.5 | 99.4 | -178.8 | -60.3 | 175 | 0 | 0 | 0 | 110.2 | P371 E375 Y376 | P371-L373 PolarHBondContact O-N 3.29Å; L373-E375 PolarHBondContact O-N 2.87Å; L373-Y376 HydrophobicContact CB-CD2 3.84Å; L373-Y376 HydrophobicContact CB-CE2 4.43Å; L373-Y376 HydrophobicContact CD1-CD2 4.14Å; L373-Y376 HydrophobicContact CD1-CE2 4.12Å; L373-Y376 PolarHBondContact O-N 2.91Å | ||
| 374 | P | 80.1 | Confident | 84.6 | Confident | 25 Ų | 25 | 70.3 Ų | 70.3 | 16% | 0.162 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -60.2 | -29.5 | -177.9 | -22 | 33.4 | 0 | 0 | 0 | 113.1 | V372 Y376 R377 L380 I382 | V372-P374 WeakPolarHBondContact O-CD 3.47Å; P374-Y376 PolarHBondContact O-N 3.1Å; P374-Y376 VanDerWaalsContact O-N 3.07Å; P374-R377 CarbonylContact O-C 3.59Å; P374-R377 PolarHBondContact O-N 2.92Å; P374-L380 HydrophobicContact CB-CD2 4.03Å; P374-L380 HydrophobicContact CG-CD2 3.85Å; P374-I382 HydrophobicContact CG-CB 4.24Å; P374-I382 HydrophobicContact CG-CD1 3.52Å; P374-I382 HydrophobicContact CG-CG1 3.74Å |
| 375 | E | 77.2 | Confident | 84.9 | Confident | 135 Ų | 135 | 69.2 Ų | 69.2 | 63% | 0.631 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -54.2 | -30.6 | 179.2 | -63.2 | 177.5 | -170.9 | 0 | 0 | 112.9 | L373 Y493 | L373-E375 PolarHBondContact O-N 2.87Å; E375-Y493 PolarHBondContact O-OH 3.19Å |
| 376 | Y | 79.9 | Confident | 85.6 | Confident | 182 Ų | 182 | 68.8 Ų | 68.8 | 71% | 0.714 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -100.1 | -3 | 179.2 | -59.7 | -79 | 0 | 0 | 0 | 113.5 | L373 P374 | L373-Y376 HydrophobicContact CB-CD2 3.84Å; L373-Y376 HydrophobicContact CB-CE2 4.43Å; L373-Y376 HydrophobicContact CD1-CD2 4.14Å; L373-Y376 HydrophobicContact CD1-CE2 4.12Å; L373-Y376 PolarHBondContact O-N 2.91Å; P374-Y376 PolarHBondContact O-N 3.1Å; P374-Y376 VanDerWaalsContact O-N 3.07Å |
| 377 | R | 81.9 | Confident | 86.3 | Confident | 85 Ų | 85 | 60.4 Ų | 60.4 | 32% | 0.321 | 30% | 0.302 | S | S | . | . | trans | -130.6 | 87.6 | -176.3 | -57.8 | -163.1 | 82.9 | -153.1 | -2.6 | 110.1 | P374 N379 L380 D398 | P374-R377 CarbonylContact O-C 3.59Å; P374-R377 PolarHBondContact O-N 2.92Å; R377-N379 PolarHBondContact O-N 3.1Å; R377-L380 HydrophobicContact CB-CB 4.01Å; R377-L380 PolarHBondContact O-N 2.81Å; R377-D398 IonicContact CZ-OD1 3.8Å; R377-D398 IonicContact NH1-OD1 3.2Å; R377-D398 PolarHBondContact NH1-OD1 3.33Å; R377-D398 IonicContact NH2-OD1 3.04Å; R377-D398 PolarHBondContact NH2-OD1 3.09Å | ||
| 378 | R | 83.3 | Confident | 87.1 | Confident | 123 Ų | 123 | 58.1 Ų | 58.1 | 46% | 0.464 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -30.6 | -178.4 | -69 | -174.5 | -172.3 | -154 | 1.3 | 114.4 | L380 D471 Y493 R495 | R378-L380 VanDerWaalsContact C-N 3.34Å; R378-D471 PolarHBondContact NH1-O 2.67Å; R378-Y493 HydrophobicContact CG-CD1 4.23Å; R378-Y493 HydrophobicContact CG-CD2 4.42Å; R378-Y493 HydrophobicContact CG-CE1 3.76Å; R378-Y493 HydrophobicContact CG-CE2 3.98Å; R378-R495 PolarHBondContact O-NH1 3.14Å; R378-R495 PolarHBondContact O-NH2 3.34Å |
| 379 | N | 85.5 | Confident | 87.7 | Confident | 41 Ų | 41 | 53.1 Ų | 53.1 | 22% | 0.219 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -13.9 | -175.5 | -49.2 | -5.1 | 0 | 0 | 0 | 112.8 | R377 F391 S392 S468 | R377-N379 PolarHBondContact O-N 3.1Å; N379-F391 CarbonylContact O-C 3.49Å; N379-F391 WeakPolarHBondContact O-CA 3.38Å; N379-S392 PolarHBondContact O-N 3.01Å; N379-S468 VanDerWaalsContact CG-OG 3.23Å; N379-S468 PolarHBondContact ND2-OG 3.3Å; N379-S468 WeakPolarHBondContact OD1-CB 3.31Å; N379-S468 PolarHBondContact OD1-OG 2.78Å |
| 380 | L | 90 | Very high | 88.1 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 137.1 | -175.9 | -173.4 | 144.7 | 0 | 0 | 0 | 109.7 | V372 P374 R377 R378 I382 I389 G390 F391 | V372-L380 HydrophobicContact CG1-CD1 3.6Å; V372-L380 HydrophobicContact CG1-CD2 3.39Å; V372-L380 HydrophobicContact CG1-CG 4.17Å; P374-L380 HydrophobicContact CB-CD2 4.03Å; P374-L380 HydrophobicContact CG-CD2 3.85Å; R377-L380 HydrophobicContact CB-CB 4.01Å; R377-L380 PolarHBondContact O-N 2.81Å; R378-L380 VanDerWaalsContact C-N 3.34Å; L380-I382 HydrophobicContact CD2-CD1 4.45Å; L380-I382 HydrophobicContact CD2-CG1 4.12Å; L380-I389 HydrophobicContact CD1-CG2 4.24Å; L380-I389 HydrophobicContact CG-CG2 4.17Å; L380-G390 CarbonylContact C-O 3.49Å; L380-G390 WeakPolarHBondContact CA-O 3.43Å; L380-F391 HydrophobicContact CD1-CD1 4.33Å; L380-F391 HydrophobicContact CD1-CE1 3.63Å; L380-F391 HydrophobicContact CD1-CZ 4.07Å; L380-F391 HydrophobicContact CG-CE1 4.37Å |
| 381 | F | 92.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 139.8 | 179 | -178.4 | -112 | 0 | 0 | 0 | 110.2 | I389 G390 F444 E461 F463 D492 V496 | F381-I389 CarbonylContact O-C 3.54Å; F381-I389 WeakPolarHBondContact O-CA 3.36Å; F381-G390 PolarHBondContact N-O 2.88Å; F381-G390 PolarHBondContact O-N 2.98Å; F381-F444 AromaticContact CE1-CE1 3.89Å; F381-F444 HydrophobicContact CE1-CE1 3.89Å; F381-F444 HydrophobicContact CE1-CZ 4.21Å; F381-E461 HydrophobicContact CE1-CB 4.3Å; F381-E461 HydrophobicContact CZ-CB 3.9Å; F381-E461 HydrophobicContact CZ-CG 4.03Å; F381-F463 HydrophobicContact CB-CD2 3.51Å; F381-F463 HydrophobicContact CB-CE2 3.83Å; F381-F463 HydrophobicContact CB-CG 4.42Å; F381-F463 HydrophobicContact CD1-CB 3.78Å; F381-F463 AromaticContact CD1-CD2 3.88Å; F381-F463 HydrophobicContact CD1-CD2 3.88Å; F381-F463 AromaticContact CD1-CG 3.98Å; F381-F463 HydrophobicContact CD1-CG 3.98Å; F381-F463 HydrophobicContact CE1-CB 4.13Å; F381-F463 HydrophobicContact CG-CB 4.47Å; F381-F463 AromaticContact CG-CD2 3.9Å; F381-F463 HydrophobicContact CG-CD2 3.9Å; F381-F463 HydrophobicContact CG-CG 4.45Å; F381-D492 WeakPolarHBondContact CD2-OD2 3.24Å; F381-D492 VanDerWaalsContact CE2-OD2 3.24Å; F381-D492 WeakPolarHBondContact CE2-OD2 3.31Å; F381-V496 HydrophobicContact CE2-CG2 3.75Å; F381-V496 HydrophobicContact CZ-CG2 4.13Å |
| 382 | I | 93 | Very high | 88.5 | Confident | 15 Ų | 15 | 41.9 Ų | 41.9 | 8% | 0.077 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 114.1 | 173.3 | -60.7 | 170.5 | 0 | 0 | 0 | 108.2 | V361 V372 P374 L380 R459 | V361-I382 HydrophobicContact CB-CD1 3.8Å; V361-I382 HydrophobicContact CG2-CD1 3.79Å; V361-I382 HydrophobicContact CG2-CG1 4.12Å; V361-I382 HydrophobicContact CG2-CG2 4.09Å; V372-I382 HydrophobicContact CG1-CD1 4.4Å; P374-I382 HydrophobicContact CG-CB 4.24Å; P374-I382 HydrophobicContact CG-CD1 3.52Å; P374-I382 HydrophobicContact CG-CG1 3.74Å; L380-I382 HydrophobicContact CD2-CD1 4.45Å; L380-I382 HydrophobicContact CD2-CG1 4.12Å; I382-R459 PolarHBondContact O-NH1 3.29Å; I382-R459 VanDerWaalsContact O-NH1 3.13Å |
| 383 | S | 94.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 121.4 | 178.5 | 177.6 | 0 | 0 | 0 | 0 | 110.3 | K386 G387 L388 E461 | S383-K386 WeakPolarHBondContact OG-CB 3.4Å; S383-K386 PolarHBondContact OG-N 3.4Å; S383-G387 VanDerWaalsContact O-CA 3.31Å; S383-G387 WeakPolarHBondContact O-CA 3.5Å; S383-G387 PolarHBondContact O-N 3.46Å; S383-G387 VanDerWaalsContact O-N 3.07Å; S383-L388 PolarHBondContact N-O 3.22Å; S383-L388 PolarHBondContact O-N 2.92Å; S383-E461 VanDerWaalsContact CA-OE2 3.26Å; S383-E461 WeakPolarHBondContact CA-OE2 3.46Å; S383-E461 VanDerWaalsContact CB-OE2 3.23Å; S383-E461 WeakPolarHBondContact CB-OE2 3.49Å; S383-E461 PolarHBondContact OG-OE2 2.84Å |
| 384 | Q | 92.9 | Very high | 88.8 | Confident | 35 Ų | 35 | 37 Ų | 37 | 16% | 0.164 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -32 | 170.8 | -61.5 | -60.5 | -35.9 | 0 | 0 | 110.5 | Y359 W448 E461 | Y359-Q384 WeakPolarHBondContact CE2-O 3.42Å; Y359-Q384 PolarHBondContact O-NE2 3.31Å; Q384-W448 HydrophobicContact CB-CD2 4.49Å; Q384-W448 HydrophobicContact CB-CG 4.34Å; Q384-E461 PolarHBondContact N-OE1 3.19Å; Q384-E461 PolarHBondContact N-OE2 2.82Å |
| 385 | A | 92.2 | Very high | 89.1 | Confident | 22 Ų | 22 | 36.8 Ų | 36.8 | 18% | 0.182 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -37.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A446 W448 E461 | A385-A446 HydrophobicContact CB-CB 3.62Å; A385-W448 HydrophobicContact CB-CB 3.83Å; A385-E461 WeakPolarHBondContact CB-OE2 3.45Å; A385-E461 PolarHBondContact N-OE1 3.25Å; A385-E461 PolarHBondContact N-OE2 2.93Å |
| 386 | K | 92.2 | Very high | 89.5 | Confident | 89 Ų | 89 | 32.3 Ų | 32.3 | 39% | 0.387 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -9 | -175.1 | -61.4 | -71.1 | 179.8 | 158.3 | 0 | 113.6 | S383 L388 D443 F444 A446 | S383-K386 WeakPolarHBondContact OG-CB 3.4Å; S383-K386 PolarHBondContact OG-N 3.4Å; K386-L388 HydrophobicContact CB-CD2 3.69Å; K386-L388 HydrophobicContact CB-CG 3.94Å; K386-D443 HydrophobicContact CD-CB 4.04Å; K386-D443 VanDerWaalsContact CE-O 3.26Å; K386-D443 WeakPolarHBondContact CE-O 3.35Å; K386-D443 HydrophobicContact CG-CB 4.25Å; K386-D443 IonicContact NZ-OD1 3.54Å; K386-D443 PolarHBondContact NZ-OD1 3.09Å; K386-F444 HydrophobicContact CG-CZ 4.33Å; K386-A446 HydrophobicContact CG-CB 4.17Å |
| 387 | G | 91 | Very high | 89.8 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 52.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | C346 Y359 S383 | C346-G387 VanDerWaalsContact CB-O 3.23Å; C346-G387 WeakPolarHBondContact CB-O 3.27Å; C346-G387 PolarHBondContact N-O 2.72Å; Y359-G387 VanDerWaalsContact CE2-CA 3.44Å; Y359-G387 VanDerWaalsContact CZ-CA 3.48Å; S383-G387 VanDerWaalsContact O-CA 3.31Å; S383-G387 WeakPolarHBondContact O-CA 3.5Å; S383-G387 PolarHBondContact O-N 3.46Å; S383-G387 VanDerWaalsContact O-N 3.07Å |
| 388 | L | 93 | Very high | 90.2 | Very high | 15 Ų | 15 | 24.6 Ų | 24.6 | 8% | 0.079 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 157.7 | -177.9 | 65.2 | 79.2 | 0 | 0 | 0 | 112.6 | T343 L344 S383 K386 F444 | T343-L388 HydrophobicContact CG2-CD1 4.22Å; L344-L388 WeakPolarHBondContact O-CA 3.36Å; S383-L388 PolarHBondContact N-O 3.22Å; S383-L388 PolarHBondContact O-N 2.92Å; K386-L388 HydrophobicContact CB-CD2 3.69Å; K386-L388 HydrophobicContact CB-CG 3.94Å; L388-F444 HydrophobicContact CD1-CE2 4.49Å; L388-F444 HydrophobicContact CD1-CZ 4.28Å |
| 389 | I | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 122 | 170.7 | -48.4 | 160.5 | 0 | 0 | 0 | 107.4 | T343 L344 V361 L380 F381 F391 Y402 M424 | T343-I389 CarbonylContact C-O 3.5Å; T343-I389 VanDerWaalsContact CA-O 3.25Å; T343-I389 WeakPolarHBondContact CA-O 3.38Å; L344-I389 HydrophobicContact CB-CB 4.28Å; L344-I389 HydrophobicContact CB-CD1 4.36Å; L344-I389 PolarHBondContact N-O 2.97Å; L344-I389 PolarHBondContact O-N 3.11Å; V361-I389 HydrophobicContact CB-CD1 4.47Å; V361-I389 HydrophobicContact CG1-CD1 3.43Å; V361-I389 VanDerWaalsContact CG1-CD1 3.43Å; V361-I389 HydrophobicContact CG1-CG1 3.93Å; V361-I389 HydrophobicContact CG2-CD1 4.19Å; V361-I389 HydrophobicContact CG2-CG1 3.89Å; L380-I389 HydrophobicContact CD1-CG2 4.24Å; L380-I389 HydrophobicContact CG-CG2 4.17Å; F381-I389 CarbonylContact O-C 3.54Å; F381-I389 WeakPolarHBondContact O-CA 3.36Å; I389-F391 HydrophobicContact CB-CE2 4.22Å; I389-F391 HydrophobicContact CG2-CD2 4.36Å; I389-F391 HydrophobicContact CG2-CE2 3.58Å; I389-F391 HydrophobicContact CG2-CZ 3.7Å; I389-Y402 HydrophobicContact CD1-CD1 3.91Å; I389-Y402 HydrophobicContact CD1-CG 4.2Å; I389-M424 HydrophobicContact CD1-CE 3.93Å |
| 390 | G | 92.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 134.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L380 F381 F463 | L380-G390 CarbonylContact C-O 3.49Å; L380-G390 WeakPolarHBondContact CA-O 3.43Å; F381-G390 PolarHBondContact N-O 2.88Å; F381-G390 PolarHBondContact O-N 2.98Å; G390-F463 VanDerWaalsContact CA-CZ 3.43Å |
| 391 | F | 92.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 110.2 | 171.3 | -59.2 | -95 | 0 | 0 | 0 | 109 | S341 E342 L344 N379 L380 I389 E393 V394 D398 Y402 | S341-F391 VanDerWaalsContact CA-O 3.31Å; S341-F391 WeakPolarHBondContact CA-O 3.5Å; S341-F391 WeakPolarHBondContact CB-O 3.47Å; E342-F391 PolarHBondContact N-O 3.38Å; E342-F391 VanDerWaalsContact N-O 3.08Å; E342-F391 PolarHBondContact O-N 3.13Å; L344-F391 HydrophobicContact CD1-CE2 3.79Å; L344-F391 HydrophobicContact CD1-CZ 4.34Å; L344-F391 HydrophobicContact CG-CE2 4.03Å; N379-F391 CarbonylContact O-C 3.49Å; N379-F391 WeakPolarHBondContact O-CA 3.38Å; L380-F391 HydrophobicContact CD1-CD1 4.33Å; L380-F391 HydrophobicContact CD1-CE1 3.63Å; L380-F391 HydrophobicContact CD1-CZ 4.07Å; L380-F391 HydrophobicContact CG-CE1 4.37Å; I389-F391 HydrophobicContact CB-CE2 4.22Å; I389-F391 HydrophobicContact CG2-CD2 4.36Å; I389-F391 HydrophobicContact CG2-CE2 3.58Å; I389-F391 HydrophobicContact CG2-CZ 3.7Å; F391-E393 PolarHBondContact O-N 3.1Å; F391-V394 HydrophobicContact CB-CG1 3.48Å; F391-V394 VanDerWaalsContact CB-CG1 3.48Å; F391-V394 HydrophobicContact CD1-CG1 4.43Å; F391-V394 HydrophobicContact CG-CG1 3.93Å; F391-D398 HydrophobicContact CD1-CB 4.39Å; F391-D398 HydrophobicContact CE1-CB 4.13Å; F391-Y402 HydrophobicContact CE1-CE1 4.46Å; F391-Y402 AromaticContact CE1-CZ 3.99Å; F391-Y402 VanDerWaalsContact CE1-OH 3.32Å; F391-Y402 WeakPolarHBondContact CE1-OH 3.36Å; F391-Y402 AromaticContact CZ-CE1 3.87Å; F391-Y402 HydrophobicContact CZ-CE1 3.87Å; F391-Y402 HydrophobicContact CZ-CE2 4.13Å; F391-Y402 AromaticContact CZ-CZ 3.52Å; F391-Y402 WeakPolarHBondContact CZ-OH 3.29Å |
| 392 | S | 90.2 | Very high | 90.9 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.014 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -62.8 | -34.4 | 179.1 | -68 | 0 | 0 | 0 | 0 | 111.7 | S341 N379 F463 A464 G466 | S341-S392 WeakPolarHBondContact CB-O 3.31Å; N379-S392 PolarHBondContact O-N 3.01Å; S392-F463 VanDerWaalsContact OG-CE2 3.32Å; S392-F463 WeakPolarHBondContact OG-CE2 3.47Å; S392-A464 WeakPolarHBondContact CB-O 3.26Å; S392-A464 PolarHBondContact OG-O 3.46Å; S392-G466 PolarHBondContact O-N 3.32Å; S392-G466 VanDerWaalsContact O-N 3.13Å |
| 393 | E | 87.9 | Confident | 90.8 | Very high | 4 Ų | 4 | 21.1 Ų | 21.1 | 2% | 0.019 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -152.2 | 121.4 | 173.6 | -173.4 | -175.6 | 173.3 | 0 | 0 | 108.4 | H339 F391 S468 | H339-E393 IonicContact CE1-OE1 2.93Å; H339-E393 IonicContact CG-OE1 3.43Å; H339-E393 IonicContact ND1-OE1 3.84Å; H339-E393 PolarHBondContact ND1-OE1 3.05Å; F391-E393 PolarHBondContact O-N 3.1Å; E393-S468 PolarHBondContact OE2-N 3.42Å; E393-S468 PolarHBondContact OE2-OG 3.05Å |
| 394 | V | 89.3 | Confident | 90.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -84.1 | 140.2 | -179.9 | -62.5 | 0 | 0 | 0 | 0 | 111.2 | V336 M337 H339 Q340 E342 F391 F426 V428 | V336-V394 HydrophobicContact CG1-CG2 3.76Å; M337-V394 VanDerWaalsContact O-CG2 3.28Å; M337-V394 WeakPolarHBondContact O-CG2 3.24Å; H339-V394 PolarHBondContact N-O 2.9Å; Q340-V394 HydrophobicContact CB-CG2 4.47Å; Q340-V394 WeakPolarHBondContact O-CG2 3.25Å; Q340-V394 PolarHBondContact O-N 2.85Å; E342-V394 HydrophobicContact CB-CG1 3.94Å; F391-V394 HydrophobicContact CB-CG1 3.48Å; F391-V394 VanDerWaalsContact CB-CG1 3.48Å; F391-V394 HydrophobicContact CD1-CG1 4.43Å; F391-V394 HydrophobicContact CG-CG1 3.93Å; V394-F426 HydrophobicContact CB-CZ 4.44Å; V394-F426 HydrophobicContact CG1-CE1 4.25Å; V394-F426 HydrophobicContact CG1-CZ 3.83Å; V394-V428 HydrophobicContact CB-CG1 4.32Å; V394-V428 HydrophobicContact CB-CG2 4.11Å; V394-V428 HydrophobicContact CG2-CG1 3.97Å; V394-V428 HydrophobicContact CG2-CG2 4.39Å | ||
| 395 | T | 86.8 | Confident | 90.5 | Very high | 22 Ų | 22 | 21.9 Ų | 21.9 | 14% | 0.135 | 13% | 0.13 | C | C | . | . | trans | -124.7 | 160 | 176.7 | 63 | 0 | 0 | 0 | 0 | 109.9 | V397 D398 | T395-V397 PolarHBondContact O-N 3.2Å; T395-V397 VanDerWaalsContact O-N 3.07Å; T395-V397 WeakPolarHBondContact OG1-CG2 3.26Å; T395-D398 PolarHBondContact N-OD2 2.81Å; T395-D398 VanDerWaalsContact O-CB 3.3Å; T395-D398 WeakPolarHBondContact O-CB 3.41Å; T395-D398 PolarHBondContact O-N 2.84Å; T395-D398 PolarHBondContact OG1-OD2 3.05Å | ||
| 396 | V | 85.7 | Confident | 90.4 | Very high | 41 Ų | 41 | 21 Ų | 21 | 25% | 0.248 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -57.4 | -26.8 | -179.9 | -69.1 | 0 | 0 | 0 | 0 | 113.6 | D398 S399 Y430 | V396-D398 PolarHBondContact O-N 2.89Å; V396-S399 WeakPolarHBondContact O-CB 3.47Å; V396-S399 PolarHBondContact O-N 3.15Å; V396-S399 PolarHBondContact O-OG 3.44Å; V396-Y430 HydrophobicContact CB-CE2 4.46Å; V396-Y430 HydrophobicContact CG1-CD1 4.06Å; V396-Y430 HydrophobicContact CG1-CD2 3.91Å; V396-Y430 HydrophobicContact CG1-CE1 3.91Å; V396-Y430 HydrophobicContact CG1-CE2 3.75Å; V396-Y430 HydrophobicContact CG1-CG 4.07Å; V396-Y430 HydrophobicContact CG2-CE1 4.27Å |
| 397 | V | 87.1 | Confident | 90.3 | Very high | 101 Ų | 101 | 17.3 Ų | 17.3 | 61% | 0.612 | 11% | 0.107 | S | C | * | . | G | 310 helix | trans | -73.3 | -11.5 | 176.1 | -60.9 | 0 | 0 | 0 | 0 | 113.6 | T395 S399 | T395-V397 PolarHBondContact O-N 3.2Å; T395-V397 VanDerWaalsContact O-N 3.07Å; T395-V397 WeakPolarHBondContact OG1-CG2 3.26Å; V397-S399 VanDerWaalsContact C-N 3.29Å |
| 398 | D | 89 | Confident | 90.1 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 2% | 0.016 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -82.4 | -10.3 | 174.7 | -61.5 | -50.5 | 0 | 0 | 0 | 112.8 | R377 F391 T395 V396 G400 Y402 F426 V428 | R377-D398 IonicContact CZ-OD1 3.8Å; R377-D398 IonicContact NH1-OD1 3.2Å; R377-D398 PolarHBondContact NH1-OD1 3.33Å; R377-D398 IonicContact NH2-OD1 3.04Å; R377-D398 PolarHBondContact NH2-OD1 3.09Å; F391-D398 HydrophobicContact CD1-CB 4.39Å; F391-D398 HydrophobicContact CE1-CB 4.13Å; T395-D398 PolarHBondContact N-OD2 2.81Å; T395-D398 VanDerWaalsContact O-CB 3.3Å; T395-D398 WeakPolarHBondContact O-CB 3.41Å; T395-D398 PolarHBondContact O-N 2.84Å; T395-D398 PolarHBondContact OG1-OD2 3.05Å; V396-D398 PolarHBondContact O-N 2.89Å; D398-G400 PolarHBondContact O-N 3Å; D398-Y402 VanDerWaalsContact O-CE2 3.32Å; D398-Y402 WeakPolarHBondContact O-CE2 3.27Å; D398-Y402 PolarHBondContact O-OH 3.36Å; D398-F426 HydrophobicContact CB-CE1 4.23Å; D398-F426 WeakPolarHBondContact O-CD1 3.07Å; D398-V428 HydrophobicContact CB-CG2 4.4Å |
| 399 | S | 91 | Very high | 89.8 | Confident | 43 Ų | 43 | 18.2 Ų | 18.2 | 30% | 0.301 | 11% | 0.111 | S | C | . | . | trans | -62.1 | 131.2 | 175.6 | -51.2 | 0 | 0 | 0 | 0 | 110.5 | V396 V397 F426 V428 | V396-S399 WeakPolarHBondContact O-CB 3.47Å; V396-S399 PolarHBondContact O-N 3.15Å; V396-S399 PolarHBondContact O-OG 3.44Å; V397-S399 VanDerWaalsContact C-N 3.29Å; S399-F426 CarbonylContact C-O 3.52Å; S399-F426 VanDerWaalsContact CA-O 3.27Å; S399-F426 WeakPolarHBondContact CA-O 3.31Å; S399-V428 WeakPolarHBondContact OG-CB 3.49Å; S399-V428 PolarHBondContact OG-N 3.31Å | ||
| 400 | G | 90.5 | Very high | 89.3 | Confident | 20 Ų | 20 | 20.3 Ų | 20.3 | 21% | 0.206 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.3 | -177.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D398 F426 | D398-G400 PolarHBondContact O-N 3Å; G400-F426 PolarHBondContact N-O 2.74Å; G400-F426 PolarHBondContact O-N 3.21Å; G400-F426 VanDerWaalsContact O-O 3.11Å |
| 401 | V | 92.3 | Very high | 88.5 | Confident | 44 Ų | 44 | 25.1 Ų | 25.1 | 27% | 0.267 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 109.6 | 176.4 | 179.2 | 0 | 0 | 0 | 0 | 108.4 | N364 D423 M424 | N364-V401 HydrophobicContact CB-CB 4.22Å; N364-V401 PolarHBondContact N-O 2.82Å; V401-D423 HydrophobicContact CG1-CB 3.63Å; V401-M424 WeakPolarHBondContact CA-O 3.48Å |
| 402 | Y | 92.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 147.8 | 178.2 | -67.7 | -99.7 | 0 | 0 | 0 | 110.7 | L344 V361 Y362 M363 V372 I389 F391 D398 M424 F426 | L344-Y402 HydrophobicContact CD1-CD2 4Å; L344-Y402 HydrophobicContact CD1-CE2 4.4Å; L344-Y402 HydrophobicContact CD1-CG 4.35Å; V361-Y402 HydrophobicContact CG1-CD1 4.17Å; Y362-Y402 CarbonylContact O-C 3.28Å; Y362-Y402 WeakPolarHBondContact O-CA 3.2Å; M363-Y402 HydrophobicContact CB-CD1 4.49Å; M363-Y402 HydrophobicContact CE-CD1 4.4Å; M363-Y402 HydrophobicContact CE-CE1 3.5Å; M363-Y402 HydrophobicContact CE-CE2 3.7Å; M363-Y402 WeakPolarHBondContact CE-OH 3.2Å; V372-Y402 HydrophobicContact CG2-CD1 4.26Å; V372-Y402 HydrophobicContact CG2-CE1 4.23Å; I389-Y402 HydrophobicContact CD1-CD1 3.91Å; I389-Y402 HydrophobicContact CD1-CG 4.2Å; F391-Y402 HydrophobicContact CE1-CE1 4.46Å; F391-Y402 AromaticContact CE1-CZ 3.99Å; F391-Y402 VanDerWaalsContact CE1-OH 3.32Å; F391-Y402 WeakPolarHBondContact CE1-OH 3.36Å; F391-Y402 AromaticContact CZ-CE1 3.87Å; F391-Y402 HydrophobicContact CZ-CE1 3.87Å; F391-Y402 HydrophobicContact CZ-CE2 4.13Å; F391-Y402 AromaticContact CZ-CZ 3.52Å; F391-Y402 WeakPolarHBondContact CZ-OH 3.29Å; D398-Y402 VanDerWaalsContact O-CE2 3.32Å; D398-Y402 WeakPolarHBondContact O-CE2 3.27Å; D398-Y402 PolarHBondContact O-OH 3.36Å; Y402-M424 PolarHBondContact N-O 2.78Å; Y402-M424 WeakPolarHBondContact O-CB 3.46Å; Y402-M424 PolarHBondContact O-N 2.92Å; Y402-F426 HydrophobicContact CD2-CB 4.04Å; Y402-F426 HydrophobicContact CE2-CB 4.09Å; Y402-F426 AromaticContact CE2-CD1 3.88Å; Y402-F426 HydrophobicContact CE2-CD1 3.88Å; Y402-F426 HydrophobicContact CE2-CG 4.39Å |
| 403 | V | 90.9 | Very high | 87.1 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 120.5 | -179.3 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | Y362 L369 K420 | Y362-V403 PolarHBondContact N-O 2.86Å; Y362-V403 PolarHBondContact O-N 3.07Å; L369-V403 HydrophobicContact CD2-CB 4.11Å; L369-V403 HydrophobicContact CD2-CG2 3.77Å; V403-K420 HydrophobicContact CG1-CB 3.57Å; V403-K420 HydrophobicContact CG1-CD 4.36Å |
| 404 | C | 91.5 | Very high | 86.7 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 138.2 | 169.7 | -64.8 | 0 | 0 | 0 | 0 | 110 | C346 L421 M424 | C346-C404 HydrophobicContact CB-CB 3.6Å; C346-C404 WeakPolarHBondContact CB-SG 3.31Å; C346-C404 WeakPolarHBondContact SG-CB 3.02Å; C346-C404 CovalentContact SG-SG 2.05Å; C346-C404 PolarHBondContact SG-SG 3.27Å; C404-L421 HydrophobicContact CB-CD1 3.99Å; C404-L421 VanDerWaalsContact O-CB 3.32Å; C404-L421 WeakPolarHBondContact O-CB 3.38Å; C404-L421 PolarHBondContact O-N 3.16Å; C404-M424 HydrophobicContact CB-CE 4.33Å; C404-M424 WeakPolarHBondContact SG-CE 3.23Å |
| 405 | M | 90.5 | Very high | 86.1 | Confident | 50 Ų | 50 | 46.8 Ų | 46.8 | 25% | 0.246 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 139.1 | 166.1 | -63.4 | -176 | -179.8 | 0 | 0 | 108 | T360 Y362 L369 K420 | T360-M405 PolarHBondContact N-O 3.28Å; T360-M405 PolarHBondContact O-N 3.29Å; Y362-M405 HydrophobicContact CD2-CE 4.1Å; Y362-M405 HydrophobicContact CD2-CG 4.13Å; Y362-M405 HydrophobicContact CD2-SD 3.88Å; Y362-M405 HydrophobicContact CE2-CB 4.45Å; Y362-M405 HydrophobicContact CE2-CE 4.18Å; Y362-M405 HydrophobicContact CE2-CG 4.09Å; Y362-M405 HydrophobicContact CE2-SD 3.48Å; Y362-M405 WeakPolarHBondContact CE2-SD 3.44Å; L369-M405 HydrophobicContact CD1-CE 4.13Å; M405-K420 HydrophobicContact CE-CB 4.39Å |
| 406 | I | 89.9 | Confident | 85.8 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 138.5 | 177.6 | 57.4 | 170 | 0 | 0 | 0 | 110.5 | L323 P348 P349 L357 L358 Y359 S418 L421 | L323-I406 HydrophobicContact CD1-CD1 4.29Å; P348-I406 HydrophobicContact CB-CD1 4.3Å; P348-I406 HydrophobicContact CB-CG2 4.43Å; P349-I406 HydrophobicContact CG-CD1 4.03Å; L357-I406 HydrophobicContact CD1-CB 4.46Å; L357-I406 HydrophobicContact CD1-CD1 3.76Å; L357-I406 HydrophobicContact CD1-CG2 4.47Å; L357-I406 HydrophobicContact CD2-CD1 4.13Å; L358-I406 CarbonylContact O-C 3.54Å; L358-I406 VanDerWaalsContact O-CA 3.25Å; L358-I406 WeakPolarHBondContact O-CA 3.49Å; Y359-I406 HydrophobicContact CD1-CG2 3.57Å; Y359-I406 HydrophobicContact CE1-CG2 3.65Å; I406-S418 VanDerWaalsContact CG1-CB 3.46Å; I406-S418 WeakPolarHBondContact CG1-OG 3.37Å; I406-S418 PolarHBondContact N-OG 2.92Å; I406-S418 VanDerWaalsContact N-OG 3.12Å; I406-S418 PolarHBondContact O-N 3Å; I406-S418 PolarHBondContact O-OG 3.16Å; I406-L421 HydrophobicContact CG2-CD1 4.03Å |
| 407 | T | 89.6 | Confident | 85.5 | Confident | 12 Ų | 12 | 52.3 Ų | 52.3 | 7% | 0.074 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 120.4 | 170.9 | -63.2 | 0 | 0 | 0 | 0 | 107.9 | L357 L358 R414 Y416 D417 | L357-T407 CarbonylContact C-O 3.6Å; L357-T407 WeakPolarHBondContact CA-O 3.33Å; L358-T407 PolarHBondContact N-O 2.94Å; L358-T407 PolarHBondContact O-N 3.18Å; T407-R414 HydrophobicContact CG2-CB 4.24Å; T407-R414 HydrophobicContact CG2-CG 3.9Å; T407-Y416 CarbonylContact C-O 3.56Å; T407-Y416 WeakPolarHBondContact CA-O 3.37Å; T407-D417 VanDerWaalsContact CB-OD1 3.29Å; T407-D417 WeakPolarHBondContact CB-OD1 3.38Å; T407-D417 WeakPolarHBondContact CG2-OD1 3.48Å; T407-D417 PolarHBondContact OG1-OD1 2.92Å |
| 408 | M | 87.4 | Confident | 84.9 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 129.2 | 172.2 | -170.3 | 168.8 | 177.9 | 0 | 0 | 109.5 | L218 V220 M223 L323 S356 L357 M415 Y416 | L218-M408 HydrophobicContact CD2-CE 3.76Å; V220-M408 HydrophobicContact CG2-CE 3.78Å; M223-M408 HydrophobicContact CE-CB 4.39Å; M223-M408 HydrophobicContact CE-SD 3.69Å; M223-M408 HydrophobicContact SD-SD 4.18Å; L323-M408 HydrophobicContact CB-SD 4.2Å; L323-M408 HydrophobicContact CD2-SD 4.27Å; S356-M408 CarbonylContact O-C 3.36Å; S356-M408 VanDerWaalsContact O-CA 3.32Å; S356-M408 WeakPolarHBondContact O-CA 3.2Å; L357-M408 HydrophobicContact CD2-CB 3.85Å; L357-M408 HydrophobicContact CD2-CG 4.12Å; M408-M415 WeakPolarHBondContact O-CB 3.49Å; M408-M415 PolarHBondContact O-N 3.31Å; M408-Y416 PolarHBondContact N-O 2.82Å; M408-Y416 PolarHBondContact O-N 2.78Å |
| 409 | Q | 86.6 | Confident | 84.2 | Confident | 34 Ų | 34 | 52.8 Ų | 52.8 | 16% | 0.159 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 156.8 | 178 | 65.3 | 168 | -1.7 | 0 | 0 | 112.2 | S356 L358 H413 W448 | S356-Q409 PolarHBondContact O-N 3.1Å; L358-Q409 VanDerWaalsContact CD1-CD 3.4Å; L358-Q409 HydrophobicContact CD1-CG 4.18Å; L358-Q409 HydrophobicContact CG-CG 4.16Å; L358-Q409 VanDerWaalsContact CG-NE2 3.35Å; Q409-H413 CarbonylContact C-O 3.56Å; Q409-H413 WeakPolarHBondContact CA-O 3.16Å; Q409-H413 WeakPolarHBondContact CB-O 3.44Å; Q409-W448 VanDerWaalsContact NE2-CH2 3.33Å |
| 410 | F | 82.9 | Confident | 83.6 | Confident | 44 Ų | 44 | 55.9 Ų | 55.9 | 19% | 0.193 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 130.6 | 173.2 | -176.3 | -100.5 | 0 | 0 | 0 | 110 | D216 L218 I319 G412 H413 M415 | D216-F410 HydrophobicContact CB-CZ 4.23Å; D216-F410 WeakPolarHBondContact O-CE1 3.45Å; L218-F410 HydrophobicContact CB-CB 3.89Å; L218-F410 HydrophobicContact CB-CD1 3.74Å; L218-F410 HydrophobicContact CB-CD2 3.84Å; L218-F410 HydrophobicContact CB-CE1 4.23Å; L218-F410 HydrophobicContact CB-CE2 4.32Å; L218-F410 HydrophobicContact CB-CG 3.52Å; L218-F410 HydrophobicContact CD2-CB 3.58Å; L218-F410 HydrophobicContact CD2-CD2 3.86Å; L218-F410 HydrophobicContact CD2-CG 3.86Å; L218-F410 HydrophobicContact CG-CB 4.39Å; L218-F410 HydrophobicContact CG-CD2 4.32Å; L218-F410 HydrophobicContact CG-CG 4.3Å; I319-F410 HydrophobicContact CD1-CE2 3.78Å; I319-F410 HydrophobicContact CD1-CZ 3.64Å; F410-G412 PolarHBondContact O-N 2.8Å; F410-G412 VanDerWaalsContact O-N 3.11Å; F410-H413 PolarHBondContact N-O 3.12Å; F410-H413 PolarHBondContact O-N 3.02Å; F410-M415 HydrophobicContact CB-CG 4.43Å |
| 411 | D | 75.5 | Confident | 83.4 | Confident | 102 Ų | 102 | 55 Ų | 55 | 55% | 0.545 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 37.2 | -178.7 | -155.1 | 30.8 | 0 | 0 | 0 | 113.6 | H413 | D411-H413 VanDerWaalsContact C-N 3.31Å; D411-H413 PolarHBondContact O-N 3.09Å |
| 412 | G | 74.5 | Confident | 83.1 | Confident | 63 Ų | 63 | 54 Ų | 54 | 65% | 0.649 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | -6.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | F410 | F410-G412 PolarHBondContact O-N 2.8Å; F410-G412 VanDerWaalsContact O-N 3.11Å |
| 413 | H | 77.3 | Confident | 83 | Confident | 137 Ų | 137 | 56.5 Ų | 56.5 | 63% | 0.634 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 128.1 | 176.5 | -66.8 | -73.2 | 0 | 0 | 0 | 111.5 | Q409 F410 D411 M415 | Q409-H413 CarbonylContact C-O 3.56Å; Q409-H413 WeakPolarHBondContact CA-O 3.16Å; Q409-H413 WeakPolarHBondContact CB-O 3.44Å; F410-H413 PolarHBondContact N-O 3.12Å; F410-H413 PolarHBondContact O-N 3.02Å; D411-H413 VanDerWaalsContact C-N 3.31Å; D411-H413 PolarHBondContact O-N 3.09Å; H413-M415 PolarHBondContact O-N 3.04Å |
| 414 | R | 79.6 | Confident | 83 | Confident | 186 Ų | 186 | 57 Ų | 57 | 70% | 0.702 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 123.1 | 172.4 | -65.1 | -175.2 | -178.4 | -171 | 0.7 | 109.5 | T407 | T407-R414 HydrophobicContact CG2-CB 4.24Å; T407-R414 HydrophobicContact CG2-CG 3.9Å |
| 415 | M | 78 | Confident | 83.1 | Confident | 76 Ų | 76 | 58.7 Ų | 58.7 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | -36.7 | -179.1 | -66.8 | -93.7 | -66.4 | 0 | 0 | 111.6 | L218 V220 M408 F410 H413 | L218-M415 HydrophobicContact CB-CE 4.09Å; L218-M415 HydrophobicContact CD2-CE 4.04Å; L218-M415 HydrophobicContact CG-CE 3.97Å; L218-M415 WeakPolarHBondContact O-CE 3.49Å; V220-M415 HydrophobicContact CG2-CE 4.17Å; M408-M415 WeakPolarHBondContact O-CB 3.49Å; M408-M415 PolarHBondContact O-N 3.31Å; F410-M415 HydrophobicContact CB-CG 4.43Å; H413-M415 PolarHBondContact O-N 3.04Å |
| 416 | Y | 80.5 | Confident | 83.3 | Confident | 86 Ų | 86 | 56.4 Ų | 56.4 | 34% | 0.337 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165 | 145.6 | -173.7 | 173.9 | -102.5 | 0 | 0 | 0 | 112.5 | M223 L323 T407 M408 S418 P419 | M223-Y416 HydrophobicContact CE-CD1 3.6Å; M223-Y416 HydrophobicContact CE-CD2 3.97Å; M223-Y416 HydrophobicContact CE-CE1 4.48Å; M223-Y416 HydrophobicContact CE-CG 3.29Å; L323-Y416 HydrophobicContact CD2-CD1 3.59Å; L323-Y416 HydrophobicContact CD2-CE1 3.63Å; T407-Y416 CarbonylContact C-O 3.56Å; T407-Y416 WeakPolarHBondContact CA-O 3.37Å; M408-Y416 PolarHBondContact N-O 2.82Å; M408-Y416 PolarHBondContact O-N 2.78Å; Y416-S418 VanDerWaalsContact CE1-CA 3.48Å; Y416-P419 VanDerWaalsContact OH-CD 3.27Å; Y416-P419 WeakPolarHBondContact OH-CD 3.45Å |
| 417 | D | 79 | Confident | 83.4 | Confident | 92 Ų | 92 | 58.3 Ų | 58.3 | 49% | 0.492 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 127.9 | 170.5 | -64.5 | -45.3 | 0 | 0 | 0 | 109.1 | T407 | T407-D417 VanDerWaalsContact CB-OD1 3.29Å; T407-D417 WeakPolarHBondContact CB-OD1 3.38Å; T407-D417 WeakPolarHBondContact CG2-OD1 3.48Å; T407-D417 PolarHBondContact OG1-OD1 2.92Å |
| 418 | S | 74.9 | Confident | 83.5 | Confident | 20 Ų | 20 | 58.1 Ų | 58.1 | 14% | 0.14 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 153.9 | 178.1 | 75.4 | 0 | 0 | 0 | 0 | 111.8 | I406 Y416 | I406-S418 VanDerWaalsContact CG1-CB 3.46Å; I406-S418 WeakPolarHBondContact CG1-OG 3.37Å; I406-S418 PolarHBondContact N-OG 2.92Å; I406-S418 VanDerWaalsContact N-OG 3.12Å; I406-S418 PolarHBondContact O-N 3Å; I406-S418 PolarHBondContact O-OG 3.16Å; Y416-S418 VanDerWaalsContact CE1-CA 3.48Å |
| 419 | P | 73 | Confident | 83.6 | Confident | 94 Ų | 94 | 64.9 Ų | 64.9 | 61% | 0.61 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 165.7 | 152.4 | -19.1 | 29.8 | 0 | 0 | 0 | 110.8 | Y416 L421 | Y416-P419 VanDerWaalsContact OH-CD 3.27Å; Y416-P419 WeakPolarHBondContact OH-CD 3.45Å; P419-L421 PolarHBondContact O-N 3.04Å |
| 420 | K | 78.5 | Confident | 83.6 | Confident | 108 Ų | 108 | 72.2 Ų | 72.2 | 47% | 0.47 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 133 | 173.2 | 67.5 | 169.3 | -166.2 | 158 | 0 | 111.2 | V403 M405 D423 | V403-K420 HydrophobicContact CG1-CB 3.57Å; V403-K420 HydrophobicContact CG1-CD 4.36Å; M405-K420 HydrophobicContact CE-CB 4.39Å; K420-D423 VanDerWaalsContact NZ-CG 3.31Å; K420-D423 IonicContact NZ-OD1 2.95Å; K420-D423 PolarHBondContact NZ-OD1 3.25Å; K420-D423 IonicContact NZ-OD2 3.49Å; K420-D423 PolarHBondContact NZ-OD2 2.03Å |
| 421 | L | 85.9 | Confident | 83.5 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 164.6 | 166.6 | -66.8 | 177.4 | 0 | 0 | 0 | 109.8 | A326 C404 I406 P419 D423 | A326-L421 HydrophobicContact CB-CD2 3.77Å; C404-L421 HydrophobicContact CB-CD1 3.99Å; C404-L421 VanDerWaalsContact O-CB 3.32Å; C404-L421 WeakPolarHBondContact O-CB 3.38Å; C404-L421 PolarHBondContact O-N 3.16Å; I406-L421 HydrophobicContact CG2-CD1 4.03Å; P419-L421 PolarHBondContact O-N 3.04Å; L421-D423 PolarHBondContact O-N 3.44Å |
| 422 | P | 87.1 | Confident | 83.5 | Confident | 22 Ų | 22 | 74 Ų | 74 | 14% | 0.143 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -49.2 | 132.3 | 177.4 | -30.7 | 37.6 | 0 | 0 | 0 | 112.6 | P327 R331 | P327-P422 WeakPolarHBondContact O-CG 3.24Å; R331-P422 HydrophobicContact CG-CB 4.24Å |
| 423 | D | 89.8 | Confident | 83.1 | Confident | 54 Ų | 54 | 76.1 Ų | 76.1 | 29% | 0.289 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 140 | 177.8 | -67.3 | -7.9 | 0 | 0 | 0 | 109.9 | V401 K420 L421 P425 | V401-D423 HydrophobicContact CG1-CB 3.63Å; K420-D423 VanDerWaalsContact NZ-CG 3.31Å; K420-D423 IonicContact NZ-OD1 2.95Å; K420-D423 PolarHBondContact NZ-OD1 3.25Å; K420-D423 IonicContact NZ-OD2 3.49Å; K420-D423 PolarHBondContact NZ-OD2 2.03Å; L421-D423 PolarHBondContact O-N 3.44Å; D423-P425 WeakPolarHBondContact O-CD 3.29Å |
| 424 | M | 91.9 | Very high | 82.3 | Confident | 10 Ų | 10 | 75.5 Ų | 75.5 | 5% | 0.049 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 92.6 | 178.9 | -65.8 | 178.9 | -78.4 | 0 | 0 | 109.7 | R331 L344 I389 V401 Y402 C404 F426 | R331-M424 PolarHBondContact NH1-SD 2.95Å; L344-M424 HydrophobicContact CB-SD 4.18Å; I389-M424 HydrophobicContact CD1-CE 3.93Å; V401-M424 WeakPolarHBondContact CA-O 3.48Å; Y402-M424 PolarHBondContact N-O 2.78Å; Y402-M424 WeakPolarHBondContact O-CB 3.46Å; Y402-M424 PolarHBondContact O-N 2.92Å; C404-M424 HydrophobicContact CB-CE 4.33Å; C404-M424 WeakPolarHBondContact SG-CE 3.23Å; M424-F426 PolarHBondContact O-N 3.41Å |
| 425 | P | 92.4 | Very high | 81.8 | Confident | 38 Ų | 38 | 73.6 Ų | 73.6 | 25% | 0.247 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 123.2 | 177 | -8.2 | 24.4 | 0 | 0 | 0 | 109.3 | E333 R334 D423 | E333-P425 WeakPolarHBondContact CA-O 3.5Å; E333-P425 HydrophobicContact CB-CB 4.05Å; E333-P425 HydrophobicContact CG-CB 4.1Å; R334-P425 PolarHBondContact N-O 2.95Å; D423-P425 WeakPolarHBondContact O-CD 3.29Å |
| 426 | F | 94.1 | Very high | 81.8 | Confident | 1 Ų | 1 | 73.1 Ų | 73.1 | 0% | 0.004 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 121.1 | -177.6 | -176.5 | -120.1 | 0 | 0 | 0 | 110.6 | R334 V336 E342 L344 V394 D398 S399 G400 Y402 M424 V428 | R334-F426 HydrophobicContact CB-CD2 4.14Å; R334-F426 HydrophobicContact CG-CD2 4.31Å; R334-F426 HydrophobicContact CG-CE2 4.47Å; R334-F426 WeakPolarHBondContact O-CA 3.46Å; R334-F426 WeakPolarHBondContact O-CD2 3.49Å; V336-F426 HydrophobicContact CB-CE2 4.05Å; V336-F426 HydrophobicContact CB-CZ 4.27Å; V336-F426 HydrophobicContact CG2-CE2 3.64Å; V336-F426 HydrophobicContact CG2-CZ 4.27Å; E342-F426 HydrophobicContact CB-CZ 4.36Å; E342-F426 HydrophobicContact CG-CE2 3.99Å; E342-F426 HydrophobicContact CG-CZ 4.32Å; L344-F426 HydrophobicContact CD1-CB 4.14Å; L344-F426 HydrophobicContact CD1-CD1 4.42Å; L344-F426 HydrophobicContact CD1-CD2 4.24Å; L344-F426 HydrophobicContact CD1-CG 4.02Å; L344-F426 HydrophobicContact CD2-CD2 3.97Å; L344-F426 HydrophobicContact CD2-CE2 4.33Å; V394-F426 HydrophobicContact CB-CZ 4.44Å; V394-F426 HydrophobicContact CG1-CE1 4.25Å; V394-F426 HydrophobicContact CG1-CZ 3.83Å; D398-F426 HydrophobicContact CB-CE1 4.23Å; D398-F426 WeakPolarHBondContact O-CD1 3.07Å; S399-F426 CarbonylContact C-O 3.52Å; S399-F426 VanDerWaalsContact CA-O 3.27Å; S399-F426 WeakPolarHBondContact CA-O 3.31Å; G400-F426 PolarHBondContact N-O 2.74Å; G400-F426 PolarHBondContact O-N 3.21Å; G400-F426 VanDerWaalsContact O-O 3.11Å; Y402-F426 HydrophobicContact CD2-CB 4.04Å; Y402-F426 HydrophobicContact CE2-CB 4.09Å; Y402-F426 AromaticContact CE2-CD1 3.88Å; Y402-F426 HydrophobicContact CE2-CD1 3.88Å; Y402-F426 HydrophobicContact CE2-CG 4.39Å; M424-F426 PolarHBondContact O-N 3.41Å; F426-V428 HydrophobicContact CD1-CG2 4.1Å; F426-V428 HydrophobicContact CE1-CG2 3.4Å; F426-V428 VanDerWaalsContact CE1-CG2 3.4Å; F426-V428 HydrophobicContact CZ-CG2 3.68Å |
| 427 | T | 92.7 | Very high | 82 | Confident | 42 Ų | 42 | 73.6 Ų | 73.6 | 26% | 0.258 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 121.9 | -175.9 | -70.2 | 0 | 0 | 0 | 0 | 110.6 | E333 R334 I335 V336 R429 | E333-T427 VanDerWaalsContact OE1-CB 3.26Å; E333-T427 WeakPolarHBondContact OE1-CB 3.05Å; E333-T427 PolarHBondContact OE1-OG1 2.9Å; R334-T427 PolarHBondContact O-N 3.43Å; I335-T427 WeakPolarHBondContact CA-O 3.31Å; V336-T427 PolarHBondContact N-O 3.2Å; T427-R429 HydrophobicContact CG2-CG 4.5Å |
| 428 | V | 91.5 | Very high | 82.7 | Confident | 9 Ų | 9 | 69.7 Ų | 69.7 | 6% | 0.055 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 120.1 | 178.1 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | V336 V394 D398 S399 F426 | V336-V428 CarbonylContact O-C 3.52Å; V336-V428 VanDerWaalsContact O-CA 3.27Å; V336-V428 WeakPolarHBondContact O-CA 3.46Å; V394-V428 HydrophobicContact CB-CG1 4.32Å; V394-V428 HydrophobicContact CB-CG2 4.11Å; V394-V428 HydrophobicContact CG2-CG1 3.97Å; V394-V428 HydrophobicContact CG2-CG2 4.39Å; D398-V428 HydrophobicContact CB-CG2 4.4Å; S399-V428 WeakPolarHBondContact OG-CB 3.49Å; S399-V428 PolarHBondContact OG-N 3.31Å; F426-V428 HydrophobicContact CD1-CG2 4.1Å; F426-V428 HydrophobicContact CE1-CG2 3.4Å; F426-V428 VanDerWaalsContact CE1-CG2 3.4Å; F426-V428 HydrophobicContact CZ-CG2 3.68Å |
| 429 | R | 90 | Very high | 83.6 | Confident | 143 Ų | 143 | 75.5 Ų | 75.5 | 54% | 0.54 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 145.8 | 178.2 | -66.5 | -176.1 | 178.1 | -172.3 | 1.3 | 110.9 | I335 V336 M337 S338 T427 | I335-R429 HydrophobicContact CG2-CG 4.05Å; V336-R429 PolarHBondContact O-N 3.33Å; M337-R429 CarbonylContact C-O 3.55Å; M337-R429 WeakPolarHBondContact CA-O 3.43Å; M337-R429 HydrophobicContact CE-CB 4.5Å; M337-R429 HydrophobicContact SD-CB 3.77Å; S338-R429 WeakPolarHBondContact CB-O 3.32Å; S338-R429 PolarHBondContact N-O 2.03Å; T427-R429 HydrophobicContact CG2-CG 4.5Å |
| 430 | Y | 86.4 | Confident | 84.6 | Confident | 187 Ų | 187 | 71.1 Ų | 71.1 | 73% | 0.733 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -59 | 140.3 | 175 | -79.3 | -82.4 | 0 | 0 | 0 | 111.6 | M337 V396 | M337-Y430 WeakPolarHBondContact CE-O 3.05Å; V396-Y430 HydrophobicContact CB-CE2 4.46Å; V396-Y430 HydrophobicContact CG1-CD1 4.06Å; V396-Y430 HydrophobicContact CG1-CD2 3.91Å; V396-Y430 HydrophobicContact CG1-CE1 3.91Å; V396-Y430 HydrophobicContact CG1-CE2 3.75Å; V396-Y430 HydrophobicContact CG1-CG 4.07Å; V396-Y430 HydrophobicContact CG2-CE1 4.27Å |
| 431 | S | 80.6 | Confident | 85.3 | Confident | 12 Ų | 12 | 68.4 Ų | 68.4 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | trans | -138.4 | 143.2 | 178.9 | -164.8 | 0 | 0 | 0 | 0 | 110.7 | S338 E433 | S338-S431 WeakPolarHBondContact O-CB 3.31Å; S431-E433 WeakPolarHBondContact OG-CB 3.48Å; S431-E433 WeakPolarHBondContact OG-CG 3.33Å; S431-E433 PolarHBondContact OG-N 3.44Å | ||
| 432 | N | 75.8 | Confident | 85.6 | Confident | 172 Ų | 172 | 73.8 Ų | 73.8 | 92% | 0.92 | 35% | 0.354 | S | S | * | . | trans | -102.2 | 9.3 | 169.4 | -65.1 | -13.9 | 0 | 0 | 0 | 111.5 | ||||
| 433 | E | 67.2 | Low | 85.9 | Confident | 108 Ų | 108 | 76.7 Ų | 76.7 | 51% | 0.505 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 151.2 | -178.6 | -74.9 | -178.1 | 173 | 0 | 0 | 112.6 | Q340 S431 | Q340-E433 PolarHBondContact NE2-OE2 2.85Å; Q340-E433 VanDerWaalsContact NE2-OE2 3.1Å; S431-E433 WeakPolarHBondContact OG-CB 3.48Å; S431-E433 WeakPolarHBondContact OG-CG 3.33Å; S431-E433 PolarHBondContact OG-N 3.44Å |
| 434 | P | 58.8 | Low | 86.2 | Confident | 124 Ų | 124 | 74.4 Ų | 74.4 | 81% | 0.805 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 149.1 | -179.5 | 24.6 | -32 | 0 | 0 | 0 | 112.5 | ||
| 435 | R | 69 | Low | 86.4 | Confident | 146 Ų | 146 | 74.6 Ų | 74.6 | 55% | 0.551 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -62 | 140.7 | -175.3 | -59.9 | 175.6 | -174.8 | -178.9 | -0.7 | 111.8 | Y467 | R435-Y467 HydrophobicContact CG-CD2 4.47Å; R435-Y467 PolarHBondContact NH1-OH 2.91Å |
| 436 | Q | 79.3 | Confident | 86.6 | Confident | 65 Ų | 65 | 73 Ų | 73 | 30% | 0.304 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -76 | 131.6 | 179.6 | -172 | 173 | -2.3 | 0 | 0 | 111.9 | S341 A465 | S341-Q436 PolarHBondContact OG-NE2 2.96Å; S341-Q436 PolarHBondContact OG-OE1 2.9Å; S341-Q436 VanDerWaalsContact OG-OE1 3.12Å; Q436-A465 VanDerWaalsContact NE2-CB 3.33Å |
| 437 | D | 85.2 | Confident | 86.6 | Confident | 96 Ų | 96 | 74.3 Ų | 74.3 | 51% | 0.513 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 148.3 | 173 | -74.8 | -31 | 0 | 0 | 0 | 111.4 | R439 K520 | D437-R439 PolarHBondContact O-N 2.87Å; D437-K520 WeakPolarHBondContact OD1-CD 3.45Å; D437-K520 IonicContact OD1-NZ 3.29Å; D437-K520 PolarHBondContact OD1-NZ 3.29Å |
| 438 | P | 91.7 | Very high | 86.6 | Confident | 11 Ų | 11 | 73.7 Ų | 73.7 | 7% | 0.071 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 129.3 | -176.4 | 24.3 | -31.9 | 0 | 0 | 0 | 112.2 | A465 D516 K520 A522 | P438-A465 CarbonylContact C-O 3.52Å; P438-A465 WeakPolarHBondContact CA-O 3.42Å; P438-D516 HydrophobicContact CB-CB 4.13Å; P438-D516 HydrophobicContact CG-CB 4.03Å; P438-K520 HydrophobicContact CG-CB 3.75Å; P438-K520 WeakPolarHBondContact CG-O 3.17Å; P438-A522 HydrophobicContact CB-CB 4.16Å; P438-A522 WeakPolarHBondContact O-CA 3.25Å; P438-A522 WeakPolarHBondContact O-CB 3.13Å |
| 439 | R | 94 | Very high | 86.6 | Confident | 141 Ų | 141 | 74.1 Ų | 74.1 | 53% | 0.532 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 126.3 | -179.6 | 178.2 | -178.6 | 172.2 | -171.3 | -3.8 | 111.4 | D437 D442 A464 A465 | D437-R439 PolarHBondContact O-N 2.87Å; R439-D442 IonicContact NH2-OD1 2.67Å; R439-D442 PolarHBondContact NH2-OD1 3.42Å; R439-D442 IonicContact NH2-OD2 2.85Å; R439-D442 PolarHBondContact NH2-OD2 2.89Å; R439-A464 CarbonylContact O-C 3.56Å; R439-A464 VanDerWaalsContact O-CA 3.24Å; R439-A464 WeakPolarHBondContact O-CA 3.41Å; R439-A464 WeakPolarHBondContact O-CB 3.49Å; R439-A465 PolarHBondContact N-O 3.18Å; R439-A465 PolarHBondContact O-N 3.24Å |
| 440 | I | 95.2 | Very high | 86.6 | Confident | 3 Ų | 3 | 70.9 Ų | 70.9 | 2% | 0.015 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 129.2 | 169.9 | -53.7 | 174.8 | 0 | 0 | 0 | 109.3 | F444 A464 C512 V514 A522 K525 | I440-F444 HydrophobicContact CG2-CB 4.01Å; I440-A464 HydrophobicContact CG1-CB 4.2Å; I440-C512 WeakPolarHBondContact CD1-O 3.39Å; I440-V514 HydrophobicContact CD1-CG2 3.97Å; I440-V514 HydrophobicContact CG1-CB 4.48Å; I440-V514 HydrophobicContact CG1-CG2 3.84Å; I440-A522 HydrophobicContact CG1-CB 4.04Å; I440-K525 HydrophobicContact CB-CD 4.07Å; I440-K525 HydrophobicContact CB-CG 4.42Å; I440-K525 HydrophobicContact CD1-CB 4.32Å; I440-K525 HydrophobicContact CG2-CB 4.43Å; I440-K525 HydrophobicContact CG2-CD 3.89Å; I440-K525 HydrophobicContact CG2-CG 4.45Å; I440-K525 PolarHBondContact O-NZ 2.93Å |
| 441 | Y | 93.9 | Very high | 86.7 | Confident | 51 Ų | 51 | 67.4 Ų | 67.4 | 20% | 0.2 | 34% | 0.342 | C | S | . | . | trans | -63.3 | 154 | 179.8 | -90.2 | -101.1 | 0 | 0 | 0 | 112.1 | S341 T343 D443 F444 F463 A465 K525 | S341-Y441 WeakPolarHBondContact CB-OH 3.34Å; S341-Y441 PolarHBondContact OG-OH 3.02Å; T343-Y441 HydrophobicContact CG2-CD1 4.17Å; T343-Y441 HydrophobicContact CG2-CE1 3.71Å; T343-Y441 HydrophobicContact CG2-CE2 4.43Å; Y441-D443 VanDerWaalsContact C-N 3.26Å; Y441-D443 PolarHBondContact O-N 3.48Å; Y441-F444 PolarHBondContact O-N 2.98Å; Y441-F444 VanDerWaalsContact O-N 3.09Å; Y441-F444 VanDerWaalsContact O-O 3.05Å; Y441-F463 AromaticContact CD2-CD1 3.68Å; Y441-F463 HydrophobicContact CD2-CD1 3.68Å; Y441-F463 AromaticContact CD2-CE1 3.61Å; Y441-F463 HydrophobicContact CD2-CE1 3.61Å; Y441-F463 HydrophobicContact CE2-CD1 4.11Å; Y441-F463 AromaticContact CE2-CE1 3.54Å; Y441-F463 HydrophobicContact CE2-CE1 3.54Å; Y441-F463 HydrophobicContact CE2-CZ 4.46Å; Y441-F463 HydrophobicContact CG-CD1 4.26Å; Y441-F463 HydrophobicContact CG-CE1 4.43Å; Y441-F463 PolarHBondContact N-O 3.31Å; Y441-A465 HydrophobicContact CE2-CB 3.93Å; Y441-K525 PolarHBondContact O-NZ 3.3Å | ||
| 442 | D | 91.9 | Very high | 87.2 | Confident | 115 Ų | 115 | 67 Ų | 67 | 62% | 0.615 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -25.6 | -173.6 | -63.4 | -25.3 | 0 | 0 | 0 | 113.6 | R439 F444 K525 | R439-D442 IonicContact NH2-OD1 2.67Å; R439-D442 PolarHBondContact NH2-OD1 3.42Å; R439-D442 IonicContact NH2-OD2 2.85Å; R439-D442 PolarHBondContact NH2-OD2 2.89Å; D442-F444 PolarHBondContact O-N 3.37Å; D442-K525 IonicContact OD1-NZ 2.71Å; D442-K525 PolarHBondContact OD1-NZ 3.2Å |
| 443 | D | 92.4 | Very high | 87.9 | Confident | 83 Ų | 83 | 61 Ų | 61 | 44% | 0.444 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -5.4 | 172.9 | -77.7 | -57.3 | 0 | 0 | 0 | 114.8 | K386 Y441 | K386-D443 HydrophobicContact CD-CB 4.04Å; K386-D443 VanDerWaalsContact CE-O 3.26Å; K386-D443 WeakPolarHBondContact CE-O 3.35Å; K386-D443 HydrophobicContact CG-CB 4.25Å; K386-D443 IonicContact NZ-OD1 3.54Å; K386-D443 PolarHBondContact NZ-OD1 3.09Å; Y441-D443 VanDerWaalsContact C-N 3.26Å; Y441-D443 PolarHBondContact O-N 3.48Å |
| 444 | F | 96.1 | Very high | 88.9 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 2% | 0.022 | 30% | 0.295 | C | S | . | . | trans | -121.3 | 144.7 | -175.7 | -65.4 | -86.2 | 0 | 0 | 0 | 111.9 | F381 K386 L388 I440 Y441 D442 A446 E461 F463 K525 | F381-F444 AromaticContact CE1-CE1 3.89Å; F381-F444 HydrophobicContact CE1-CE1 3.89Å; F381-F444 HydrophobicContact CE1-CZ 4.21Å; K386-F444 HydrophobicContact CG-CZ 4.33Å; L388-F444 HydrophobicContact CD1-CE2 4.49Å; L388-F444 HydrophobicContact CD1-CZ 4.28Å; I440-F444 HydrophobicContact CG2-CB 4.01Å; Y441-F444 PolarHBondContact O-N 2.98Å; Y441-F444 VanDerWaalsContact O-N 3.09Å; Y441-F444 VanDerWaalsContact O-O 3.05Å; D442-F444 PolarHBondContact O-N 3.37Å; F444-A446 HydrophobicContact CD1-CB 4.06Å; F444-A446 HydrophobicContact CE1-CB 4.21Å; F444-E461 HydrophobicContact CD1-CB 4.2Å; F444-E461 WeakPolarHBondContact CD1-O 3.33Å; F444-E461 HydrophobicContact CE1-CB 4.01Å; F444-F463 HydrophobicContact CD1-CB 3.98Å; F444-F463 HydrophobicContact CD2-CB 3.91Å; F444-F463 HydrophobicContact CD2-CD1 4.47Å; F444-F463 HydrophobicContact CE1-CB 3.95Å; F444-F463 HydrophobicContact CE2-CB 3.86Å; F444-F463 HydrophobicContact CE2-CD1 4.15Å; F444-F463 HydrophobicContact CE2-CG 4.44Å; F444-F463 HydrophobicContact CG-CB 3.96Å; F444-F463 HydrophobicContact CZ-CB 3.87Å; F444-K525 WeakPolarHBondContact O-CD 3.39Å | ||
| 445 | P | 96.5 | Very high | 90.2 | Very high | 14 Ų | 14 | 55.4 Ų | 55.4 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | S | Bend | cis | -73.5 | 140.9 | 4 | 12.2 | -6.3 | 0 | 0 | 0 | 113.6 | E461 W477 C512 K525 L527 | P445-E461 CarbonylContact C-O 3.45Å; P445-E461 WeakPolarHBondContact CA-O 3.23Å; P445-E461 WeakPolarHBondContact CB-O 3.49Å; P445-W477 HydrophobicContact CB-CH2 3.71Å; P445-W477 HydrophobicContact CB-CZ3 4.1Å; P445-W477 HydrophobicContact CG-CH2 4.47Å; P445-W477 HydrophobicContact CG-CZ3 4.45Å; P445-C512 HydrophobicContact CG-CB 4.33Å; P445-K525 HydrophobicContact CG-CB 4.46Å; P445-L527 HydrophobicContact CB-CB 3.97Å; P445-L527 HydrophobicContact CB-CD2 4.27Å; P445-L527 HydrophobicContact CG-CB 3.77Å |
| 446 | A | 95.4 | Very high | 91.1 | Very high | 6 Ų | 6 | 51.5 Ų | 51.5 | 5% | 0.05 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 154.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | A385 K386 F444 L460 E461 | A385-A446 HydrophobicContact CB-CB 3.62Å; K386-A446 HydrophobicContact CG-CB 4.17Å; F444-A446 HydrophobicContact CD1-CB 4.06Å; F444-A446 HydrophobicContact CE1-CB 4.21Å; A446-L460 CarbonylContact O-C 3.58Å; A446-L460 WeakPolarHBondContact O-CA 3.32Å; A446-E461 HydrophobicContact CB-CB 4.46Å; A446-E461 PolarHBondContact N-O 3.05Å; A446-E461 PolarHBondContact O-N 2.77Å |
| 447 | V | 95.2 | Very high | 91.6 | Very high | 28 Ų | 28 | 52.3 Ų | 52.3 | 17% | 0.17 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 135.8 | 176.5 | 61.7 | 0 | 0 | 0 | 0 | 110 | V458 R459 L460 L527 L529 | V447-V458 HydrophobicContact CG2-CG1 3.83Å; V447-R459 WeakPolarHBondContact CA-O 3.26Å; V447-L460 HydrophobicContact CB-CD2 4.2Å; V447-L460 HydrophobicContact CG2-CD2 3.8Å; V447-L527 HydrophobicContact CB-CD2 4.13Å; V447-L527 HydrophobicContact CG1-CD1 4.46Å; V447-L529 HydrophobicContact CG2-CD1 3.94Å |
| 448 | W | 92.9 | Very high | 91.9 | Very high | 29 Ų | 29 | 47.7 Ų | 47.7 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 130.1 | 170 | -178.3 | 88.3 | 0 | 0 | 0 | 109.9 | L358 Q384 A385 Q409 L457 V458 R459 | L358-W448 HydrophobicContact CD2-CH2 3.88Å; L358-W448 HydrophobicContact CD2-CZ2 3.59Å; Q384-W448 HydrophobicContact CB-CD2 4.49Å; Q384-W448 HydrophobicContact CB-CG 4.34Å; A385-W448 HydrophobicContact CB-CB 3.83Å; Q409-W448 VanDerWaalsContact NE2-CH2 3.33Å; W448-L457 HydrophobicContact CZ3-CD2 4.44Å; W448-V458 CarbonylContact O-C 3.35Å; W448-V458 WeakPolarHBondContact O-CA 3.37Å; W448-R459 HydrophobicContact CB-CB 4.41Å; W448-R459 HydrophobicContact CE3-CB 4.36Å; W448-R459 PolarHBondContact N-O 3.33Å; W448-R459 PolarHBondContact O-N 2.86Å |
| 449 | P | 91 | Very high | 92.1 | Very high | 17 Ų | 17 | 48.7 Ų | 48.7 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | S | Bend | cis | -68.2 | 162 | -11 | 31.4 | -36.3 | 0 | 0 | 0 | 112 | D355 N451 P452 L457 | D355-P449 HydrophobicContact CB-CB 3.66Å; P449-N451 VanDerWaalsContact C-N 3.33Å; P449-N451 PolarHBondContact O-N 2.78Å; P449-P452 HydrophobicContact CG-CB 4.46Å; P449-P452 WeakPolarHBondContact O-CD 3.44Å; P449-L457 WeakPolarHBondContact CD-O 3.34Å |
| 450 | T | 89.3 | Confident | 92.2 | Very high | 75 Ų | 75 | 42 Ų | 42 | 46% | 0.46 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -62.1 | -36.3 | -175.9 | -57.2 | 0 | 0 | 0 | 0 | 113.2 | D355 P452 | D355-T450 PolarHBondContact OD1-N 3.29Å; D355-T450 PolarHBondContact OD1-OG1 3.01Å; D355-T450 VanDerWaalsContact OD2-CB 3.3Å; D355-T450 WeakPolarHBondContact OD2-CB 3.49Å; D355-T450 PolarHBondContact OD2-N 2.86Å; D355-T450 PolarHBondContact OD2-OG1 3.34Å; T450-P452 VanDerWaalsContact O-CD 3.31Å; T450-P452 WeakPolarHBondContact O-CD 3.49Å |
| 451 | N | 88.9 | Confident | 92.2 | Very high | 114 Ų | 114 | 41.9 Ų | 41.9 | 61% | 0.61 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -117.9 | 74.5 | 177.9 | -67.6 | -63.4 | 0 | 0 | 0 | 110.7 | P449 Q453 | P449-N451 VanDerWaalsContact C-N 3.33Å; P449-N451 PolarHBondContact O-N 2.78Å; N451-Q453 PolarHBondContact O-N 2.89Å |
| 452 | P | 91.6 | Very high | 92.4 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.019 | 21% | 0.212 | C | C | . | . | trans | -65.8 | 136.2 | -171.7 | 26.7 | -33 | 0 | 0 | 0 | 111.9 | P449 T450 V458 L529 I531 T532 | P449-P452 HydrophobicContact CG-CB 4.46Å; P449-P452 WeakPolarHBondContact O-CD 3.44Å; T450-P452 VanDerWaalsContact O-CD 3.31Å; T450-P452 WeakPolarHBondContact O-CD 3.49Å; P452-V458 HydrophobicContact CB-CG1 4.46Å; P452-V458 HydrophobicContact CB-CG2 3.41Å; P452-V458 VanDerWaalsContact CB-CG2 3.41Å; P452-V458 HydrophobicContact CG-CG2 4.41Å; P452-L529 HydrophobicContact CG-CD1 3.78Å; P452-I531 HydrophobicContact CG-CG1 4.24Å; P452-I531 WeakPolarHBondContact O-CA 3.22Å; P452-T532 PolarHBondContact O-N 3.33Å; P452-T532 PolarHBondContact O-OG1 2.76Å | ||
| 453 | Q | 89.7 | Confident | 92.5 | Very high | 47 Ų | 47 | 34 Ų | 34 | 22% | 0.22 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -105 | 144.9 | 173.6 | -55.9 | -162.9 | -40.4 | 0 | 0 | 110.7 | N451 G455 Q456 V502 T532 | N451-Q453 PolarHBondContact O-N 2.89Å; Q453-G455 PolarHBondContact O-N 3.34Å; Q453-Q456 HydrophobicContact CB-CG 4.31Å; Q453-Q456 WeakPolarHBondContact O-CB 3.44Å; Q453-Q456 PolarHBondContact O-N 2.94Å; Q453-Q456 VanDerWaalsContact O-N 3.07Å; Q453-V502 WeakPolarHBondContact O-CG1 3.49Å; Q453-T532 CarbonylContact C-O 3.52Å; Q453-T532 VanDerWaalsContact CA-O 3.26Å; Q453-T532 WeakPolarHBondContact CA-O 3.37Å |
| 454 | R | 89.2 | Confident | 92.6 | Very high | 74 Ų | 74 | 30 Ų | 30 | 28% | 0.279 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47 | 131.7 | 171.3 | 177.8 | -176.3 | 175.9 | -96.5 | -1.9 | 110 | V502 I531 T532 A533 Y536 | R454-V502 WeakPolarHBondContact CA-O 3.36Å; R454-I531 HydrophobicContact CB-CG2 4.46Å; R454-T532 PolarHBondContact N-O 3.07Å; R454-A533 HydrophobicContact CB-CB 3.88Å; R454-Y536 VanDerWaalsContact CD-CE1 3.42Å |
| 455 | G | 85.2 | Confident | 92.4 | Very high | 40 Ų | 40 | 29.8 Ų | 29.8 | 41% | 0.412 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 103.4 | -27.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q453 N501 V502 | Q453-G455 PolarHBondContact O-N 3.34Å; G455-N501 WeakPolarHBondContact CA-OD1 3.22Å; G455-N501 WeakPolarHBondContact O-CA 3.05Å; G455-V502 PolarHBondContact N-O 3.48Å |
| 456 | Q | 87.8 | Confident | 92 | Very high | 64 Ų | 64 | 29.3 Ų | 29.3 | 30% | 0.299 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -79.8 | 160.7 | -173.1 | -66.1 | -179 | -35.4 | 0 | 0 | 112.3 | Q453 N501 V502 | Q453-Q456 HydrophobicContact CB-CG 4.31Å; Q453-Q456 WeakPolarHBondContact O-CB 3.44Å; Q453-Q456 PolarHBondContact O-N 2.94Å; Q453-Q456 VanDerWaalsContact O-N 3.07Å; Q456-N501 PolarHBondContact O-N 3.06Å; Q456-V502 PolarHBondContact O-N 2.89Å |
| 457 | L | 89.5 | Confident | 91.3 | Very high | 82 Ų | 82 | 30.2 Ų | 30.2 | 43% | 0.429 | 16% | 0.161 | S | C | . | . | trans | -73.1 | 124.6 | 162.9 | 176.4 | 64.1 | 0 | 0 | 0 | 108.4 | W448 P449 E498 | W448-L457 HydrophobicContact CZ3-CD2 4.44Å; P449-L457 WeakPolarHBondContact CD-O 3.34Å; L457-E498 HydrophobicContact CD1-CB 4.49Å | ||
| 458 | V | 92.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 132.6 | 173.4 | 178.2 | 0 | 0 | 0 | 0 | 109.3 | V447 W448 P452 L460 L499 V502 L529 | V447-V458 HydrophobicContact CG2-CG1 3.83Å; W448-V458 CarbonylContact O-C 3.35Å; W448-V458 WeakPolarHBondContact O-CA 3.37Å; P452-V458 HydrophobicContact CB-CG1 4.46Å; P452-V458 HydrophobicContact CB-CG2 3.41Å; P452-V458 VanDerWaalsContact CB-CG2 3.41Å; P452-V458 HydrophobicContact CG-CG2 4.41Å; V458-L460 HydrophobicContact CG1-CD2 3.86Å; V458-L499 HydrophobicContact CB-CB 4.36Å; V458-L499 PolarHBondContact N-O 3.29Å; V458-L499 PolarHBondContact O-N 3.15Å; V458-V502 HydrophobicContact CB-CB 4.37Å; V458-V502 HydrophobicContact CB-CG2 4.44Å; V458-V502 HydrophobicContact CG2-CB 3.72Å; V458-V502 HydrophobicContact CG2-CG1 3.63Å; V458-V502 HydrophobicContact CG2-CG2 3.99Å; V458-L529 HydrophobicContact CG1-CD1 4.15Å |
| 459 | R | 94.4 | Very high | 89.4 | Confident | 32 Ų | 32 | 32.8 Ų | 32.8 | 12% | 0.121 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 118.6 | 176.2 | -165.5 | 178.6 | -170.3 | -139.6 | 4.7 | 108.7 | I382 V447 W448 E461 V496 I497 E498 | I382-R459 PolarHBondContact O-NH1 3.29Å; I382-R459 VanDerWaalsContact O-NH1 3.13Å; V447-R459 WeakPolarHBondContact CA-O 3.26Å; W448-R459 HydrophobicContact CB-CB 4.41Å; W448-R459 HydrophobicContact CE3-CB 4.36Å; W448-R459 PolarHBondContact N-O 3.33Å; W448-R459 PolarHBondContact O-N 2.86Å; R459-E461 WeakPolarHBondContact CD-OE1 3.47Å; R459-E461 HydrophobicContact CG-CG 3.87Å; R459-E461 IonicContact CZ-OE1 3.98Å; R459-E461 IonicContact NE-OE1 2.68Å; R459-E461 IonicContact NH1-OE1 3.17Å; R459-E461 PolarHBondContact NH1-OE1 2.84Å; R459-V496 HydrophobicContact CG-CG1 3.41Å; R459-V496 VanDerWaalsContact CG-CG1 3.41Å; R459-I497 WeakPolarHBondContact CA-O 3.07Å; R459-E498 HydrophobicContact CG-CG 4.26Å; R459-E498 IonicContact NE-OE1 3.15Å |
| 460 | L | 96.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 121.6 | 167.4 | -42.7 | -177.7 | 0 | 0 | 0 | 107.5 | A446 V447 V458 W477 V496 I497 Y510 L527 L529 | A446-L460 CarbonylContact O-C 3.58Å; A446-L460 WeakPolarHBondContact O-CA 3.32Å; V447-L460 HydrophobicContact CB-CD2 4.2Å; V447-L460 HydrophobicContact CG2-CD2 3.8Å; V458-L460 HydrophobicContact CG1-CD2 3.86Å; L460-W477 HydrophobicContact CB-CH2 4.16Å; L460-V496 CarbonylContact O-C 3.57Å; L460-V496 VanDerWaalsContact O-CA 3.26Å; L460-V496 WeakPolarHBondContact O-CA 3.39Å; L460-I497 HydrophobicContact CB-CB 4.1Å; L460-I497 HydrophobicContact CD1-CB 4.22Å; L460-I497 HydrophobicContact CD1-CD1 4.19Å; L460-I497 HydrophobicContact CD1-CG2 4.38Å; L460-I497 HydrophobicContact CG-CB 4.22Å; L460-I497 PolarHBondContact N-O 2.69Å; L460-I497 PolarHBondContact O-N 2.83Å; L460-Y510 HydrophobicContact CD1-CD1 3.66Å; L460-Y510 HydrophobicContact CD1-CD2 4Å; L460-Y510 HydrophobicContact CD1-CE1 3.9Å; L460-Y510 HydrophobicContact CD1-CE2 4.26Å; L460-Y510 HydrophobicContact CD1-CG 3.72Å; L460-L527 HydrophobicContact CB-CD2 4.35Å; L460-L527 HydrophobicContact CD2-CD2 3.84Å; L460-L527 HydrophobicContact CG-CD2 4.48Å; L460-L529 HydrophobicContact CD2-CD1 4.16Å; L460-L529 HydrophobicContact CD2-CD2 4.33Å |
| 461 | E | 96.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 136.9 | -173.9 | -62.6 | 179.5 | 174 | 0 | 0 | 109.7 | F381 S383 Q384 A385 F444 P445 A446 R459 | F381-E461 HydrophobicContact CE1-CB 4.3Å; F381-E461 HydrophobicContact CZ-CB 3.9Å; F381-E461 HydrophobicContact CZ-CG 4.03Å; S383-E461 VanDerWaalsContact CA-OE2 3.26Å; S383-E461 WeakPolarHBondContact CA-OE2 3.46Å; S383-E461 VanDerWaalsContact CB-OE2 3.23Å; S383-E461 WeakPolarHBondContact CB-OE2 3.49Å; S383-E461 PolarHBondContact OG-OE2 2.84Å; Q384-E461 PolarHBondContact N-OE1 3.19Å; Q384-E461 PolarHBondContact N-OE2 2.82Å; A385-E461 WeakPolarHBondContact CB-OE2 3.45Å; A385-E461 PolarHBondContact N-OE1 3.25Å; A385-E461 PolarHBondContact N-OE2 2.93Å; F444-E461 HydrophobicContact CD1-CB 4.2Å; F444-E461 WeakPolarHBondContact CD1-O 3.33Å; F444-E461 HydrophobicContact CE1-CB 4.01Å; P445-E461 CarbonylContact C-O 3.45Å; P445-E461 WeakPolarHBondContact CA-O 3.23Å; P445-E461 WeakPolarHBondContact CB-O 3.49Å; A446-E461 HydrophobicContact CB-CB 4.46Å; A446-E461 PolarHBondContact N-O 3.05Å; A446-E461 PolarHBondContact O-N 2.77Å; R459-E461 WeakPolarHBondContact CD-OE1 3.47Å; R459-E461 HydrophobicContact CG-CG 3.87Å; R459-E461 IonicContact CZ-OE1 3.98Å; R459-E461 IonicContact NE-OE1 2.68Å; R459-E461 IonicContact NH1-OE1 3.17Å; R459-E461 PolarHBondContact NH1-OE1 2.84Å |
| 462 | C | 96.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -131.3 | 129 | 170.5 | -175.1 | 0 | 0 | 0 | 0 | 110.5 | Y475 W477 R495 C512 | C462-Y475 HydrophobicContact CB-CD1 4.5Å; C462-W477 HydrophobicContact CB-CH2 3.76Å; C462-W477 HydrophobicContact CB-CZ2 3.29Å; C462-R495 PolarHBondContact N-O 2.97Å; C462-C512 HydrophobicContact CB-CB 3.76Å; C462-C512 WeakPolarHBondContact CB-SG 3.45Å; C462-C512 WeakPolarHBondContact SG-CB 3.31Å; C462-C512 CovalentContact SG-SG 2.04Å; C462-C512 PolarHBondContact SG-SG 3.28Å | ||
| 463 | F | 95.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -135.1 | 140 | -179.5 | 176.7 | -103.4 | 0 | 0 | 0 | 110.9 | T343 F381 G390 S392 Y441 F444 | T343-F463 HydrophobicContact CG2-CE1 3.94Å; F381-F463 HydrophobicContact CB-CD2 3.51Å; F381-F463 HydrophobicContact CB-CE2 3.83Å; F381-F463 HydrophobicContact CB-CG 4.42Å; F381-F463 HydrophobicContact CD1-CB 3.78Å; F381-F463 AromaticContact CD1-CD2 3.88Å; F381-F463 HydrophobicContact CD1-CD2 3.88Å; F381-F463 AromaticContact CD1-CG 3.98Å; F381-F463 HydrophobicContact CD1-CG 3.98Å; F381-F463 HydrophobicContact CE1-CB 4.13Å; F381-F463 HydrophobicContact CG-CB 4.47Å; F381-F463 AromaticContact CG-CD2 3.9Å; F381-F463 HydrophobicContact CG-CD2 3.9Å; F381-F463 HydrophobicContact CG-CG 4.45Å; G390-F463 VanDerWaalsContact CA-CZ 3.43Å; S392-F463 VanDerWaalsContact OG-CE2 3.32Å; S392-F463 WeakPolarHBondContact OG-CE2 3.47Å; Y441-F463 AromaticContact CD2-CD1 3.68Å; Y441-F463 HydrophobicContact CD2-CD1 3.68Å; Y441-F463 AromaticContact CD2-CE1 3.61Å; Y441-F463 HydrophobicContact CD2-CE1 3.61Å; Y441-F463 HydrophobicContact CE2-CD1 4.11Å; Y441-F463 AromaticContact CE2-CE1 3.54Å; Y441-F463 HydrophobicContact CE2-CE1 3.54Å; Y441-F463 HydrophobicContact CE2-CZ 4.46Å; Y441-F463 HydrophobicContact CG-CD1 4.26Å; Y441-F463 HydrophobicContact CG-CE1 4.43Å; Y441-F463 PolarHBondContact N-O 3.31Å; F444-F463 HydrophobicContact CD1-CB 3.98Å; F444-F463 HydrophobicContact CD2-CB 3.91Å; F444-F463 HydrophobicContact CD2-CD1 4.47Å; F444-F463 HydrophobicContact CE1-CB 3.95Å; F444-F463 HydrophobicContact CE2-CB 3.86Å; F444-F463 HydrophobicContact CE2-CD1 4.15Å; F444-F463 HydrophobicContact CE2-CG 4.44Å; F444-F463 HydrophobicContact CG-CB 3.96Å; F444-F463 HydrophobicContact CZ-CB 3.87Å | ||
| 464 | A | 94.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 147.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S392 R439 I440 L473 Y475 V514 | S392-A464 WeakPolarHBondContact CB-O 3.26Å; S392-A464 PolarHBondContact OG-O 3.46Å; R439-A464 CarbonylContact O-C 3.56Å; R439-A464 VanDerWaalsContact O-CA 3.24Å; R439-A464 WeakPolarHBondContact O-CA 3.41Å; R439-A464 WeakPolarHBondContact O-CB 3.49Å; I440-A464 HydrophobicContact CG1-CB 4.2Å; A464-L473 HydrophobicContact CB-CD1 4.17Å; A464-L473 WeakPolarHBondContact O-CD1 2.97Å; A464-Y475 HydrophobicContact CB-CE1 4.33Å; A464-Y475 PolarHBondContact N-OH 2.9Å; A464-V514 HydrophobicContact CB-CB 4.33Å; A464-V514 HydrophobicContact CB-CG1 3.97Å; A464-V514 HydrophobicContact CB-CG2 4.04Å |
| 465 | A | 91.1 | Very high | 87.6 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 148.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | S341 Q436 P438 R439 Y441 | S341-A465 WeakPolarHBondContact OG-CB 3.3Å; Q436-A465 VanDerWaalsContact NE2-CB 3.33Å; P438-A465 CarbonylContact C-O 3.52Å; P438-A465 WeakPolarHBondContact CA-O 3.42Å; R439-A465 PolarHBondContact N-O 3.18Å; R439-A465 PolarHBondContact O-N 3.24Å; Y441-A465 HydrophobicContact CE2-CB 3.93Å |
| 466 | G | 87.7 | Confident | 88.1 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | trans | 156.7 | 172.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S392 S468 | S392-G466 PolarHBondContact O-N 3.32Å; S392-G466 VanDerWaalsContact O-N 3.13Å; G466-S468 PolarHBondContact O-N 2.74Å | ||
| 467 | Y | 81.8 | Confident | 88.5 | Confident | 25 Ų | 25 | 33.4 Ų | 33.4 | 10% | 0.098 | 17% | 0.169 | C | C | . | . | trans | -75.1 | 120.9 | -173.9 | -180 | -113.9 | 0 | 0 | 0 | 113.3 | R435 Q469 L470 S517 L518 | R435-Y467 HydrophobicContact CG-CD2 4.47Å; R435-Y467 PolarHBondContact NH1-OH 2.91Å; Y467-Q469 HydrophobicContact CD2-CG 4.37Å; Y467-Q469 HydrophobicContact CE2-CB 3.77Å; Y467-Q469 HydrophobicContact CE2-CG 3.69Å; Y467-L470 HydrophobicContact CE1-CD1 4.36Å; Y467-S517 WeakPolarHBondContact CD1-OG 3.33Å; Y467-S517 WeakPolarHBondContact CE1-OG 3.33Å; Y467-S517 PolarHBondContact O-N 3.01Å; Y467-S517 PolarHBondContact O-OG 3.15Å; Y467-L518 HydrophobicContact CD1-CD1 4.03Å; Y467-L518 HydrophobicContact CD1-CD2 4.5Å; Y467-L518 HydrophobicContact CD1-CG 3.88Å; Y467-L518 HydrophobicContact CE1-CD1 4.5Å; Y467-L518 HydrophobicContact CE1-CD2 4.36Å; Y467-L518 HydrophobicContact CE1-CG 4.23Å | ||
| 468 | S | 76.5 | Confident | 88.7 | Confident | 5 Ų | 5 | 36 Ų | 36 | 4% | 0.035 | 17% | 0.173 | C | C | . | . | trans | -120.2 | -5.8 | -164.3 | 66 | 0 | 0 | 0 | 0 | 115.6 | N379 E393 G466 L470 G472 | N379-S468 VanDerWaalsContact CG-OG 3.23Å; N379-S468 PolarHBondContact ND2-OG 3.3Å; N379-S468 WeakPolarHBondContact OD1-CB 3.31Å; N379-S468 PolarHBondContact OD1-OG 2.78Å; E393-S468 PolarHBondContact OE2-N 3.42Å; E393-S468 PolarHBondContact OE2-OG 3.05Å; G466-S468 PolarHBondContact O-N 2.74Å; S468-L470 VanDerWaalsContact C-N 3.35Å; S468-L470 PolarHBondContact O-N 3.41Å; S468-G472 VanDerWaalsContact O-CA 3.3Å; S468-G472 WeakPolarHBondContact O-CA 3.28Å; S468-G472 PolarHBondContact O-N 3.1Å | ||
| 469 | Q | 70.7 | Confident | 88.7 | Confident | 106 Ų | 106 | 36.7 Ų | 36.7 | 50% | 0.495 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -22.5 | -164.3 | -70.2 | -110.6 | -24.5 | 0 | 0 | 116.9 | Y467 | Y467-Q469 HydrophobicContact CD2-CG 4.37Å; Y467-Q469 HydrophobicContact CE2-CB 3.77Å; Y467-Q469 HydrophobicContact CE2-CG 3.69Å |
| 470 | L | 69.7 | Low | 88.6 | Confident | 123 Ų | 123 | 38.7 Ų | 38.7 | 64% | 0.644 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -68.9 | 177.7 | -85.8 | 140.6 | 0 | 0 | 0 | 111.4 | Y467 S468 | Y467-L470 HydrophobicContact CE1-CD1 4.36Å; S468-L470 VanDerWaalsContact C-N 3.35Å; S468-L470 PolarHBondContact O-N 3.41Å |
| 471 | D | 75.2 | Confident | 88.2 | Confident | 94 Ų | 94 | 43 Ų | 43 | 50% | 0.503 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | 0.9 | -172.6 | -71.2 | -32.7 | 0 | 0 | 0 | 113.8 | R378 | R378-D471 PolarHBondContact NH1-O 2.67Š|
| 472 | G | 81.9 | Confident | 87.6 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | trans | 77.6 | -178 | -164.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S468 | S468-G472 VanDerWaalsContact O-CA 3.3Å; S468-G472 WeakPolarHBondContact O-CA 3.28Å; S468-G472 PolarHBondContact O-N 3.1Å | ||
| 473 | L | 90 | Very high | 86.9 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 9% | 0.094 | 25% | 0.254 | C | S | . | . | trans | -80 | 139.5 | 170.9 | -64.7 | 178.5 | 0 | 0 | 0 | 109.8 | A464 Y475 V514 D516 | A464-L473 HydrophobicContact CB-CD1 4.17Å; A464-L473 WeakPolarHBondContact O-CD1 2.97Å; L473-Y475 HydrophobicContact CB-CD2 4.33Å; L473-Y475 HydrophobicContact CB-CE2 3.54Å; L473-Y475 WeakPolarHBondContact O-CD2 3.3Å; L473-V514 HydrophobicContact CB-CG1 4.07Å; L473-V514 HydrophobicContact CD1-CG1 4.27Å; L473-D516 HydrophobicContact CD2-CB 3.74Å | ||
| 474 | K | 92 | Very high | 86.3 | Confident | 112 Ų | 112 | 51.6 Ų | 51.6 | 49% | 0.487 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 124.9 | 176.2 | -67.3 | 177.7 | -176.1 | 169.2 | 0 | 109.9 | V514 E515 | K474-V514 WeakPolarHBondContact O-CA 3.3Å; K474-E515 HydrophobicContact CB-CB 4.37Å; K474-E515 PolarHBondContact N-O 2.91Å; K474-E515 PolarHBondContact O-N 2.96Å |
| 475 | Y | 94.5 | Very high | 85.8 | Confident | 12 Ų | 12 | 53.7 Ų | 53.7 | 5% | 0.047 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 143.6 | -179.8 | -66.9 | -103 | 0 | 0 | 0 | 109.9 | C462 A464 L473 D494 R495 N513 V514 | C462-Y475 HydrophobicContact CB-CD1 4.5Å; A464-Y475 HydrophobicContact CB-CE1 4.33Å; A464-Y475 PolarHBondContact N-OH 2.9Å; L473-Y475 HydrophobicContact CB-CD2 4.33Å; L473-Y475 HydrophobicContact CB-CE2 3.54Å; L473-Y475 WeakPolarHBondContact O-CD2 3.3Å; Y475-D494 WeakPolarHBondContact CB-O 3.47Å; Y475-R495 HydrophobicContact CD1-CB 4.36Å; Y475-R495 HydrophobicContact CD1-CG 3.67Å; Y475-R495 HydrophobicContact CD2-CB 4.48Å; Y475-R495 HydrophobicContact CD2-CG 3.19Å; Y475-R495 HydrophobicContact CE1-CG 3.72Å; Y475-R495 HydrophobicContact CE2-CG 3.26Å; Y475-R495 HydrophobicContact CG-CB 4.33Å; Y475-R495 HydrophobicContact CG-CG 3.41Å; Y475-R495 VanDerWaalsContact CG-CG 3.41Å; Y475-R495 VanDerWaalsContact CZ-CD 3.45Å; Y475-N513 WeakPolarHBondContact CA-O 3.24Å; Y475-V514 HydrophobicContact CD1-CB 4.48Å; Y475-V514 HydrophobicContact CD1-CG1 4.37Å; Y475-V514 HydrophobicContact CD1-CG2 3.47Å; Y475-V514 VanDerWaalsContact CD1-CG2 3.47Å; Y475-V514 HydrophobicContact CE1-CB 4.43Å; Y475-V514 HydrophobicContact CE1-CG1 4.07Å; Y475-V514 HydrophobicContact CE1-CG2 3.46Å; Y475-V514 VanDerWaalsContact CE1-CG2 3.46Å; Y475-V514 HydrophobicContact CE2-CG1 4.45Å; Y475-V514 HydrophobicContact CG-CG2 4.34Å |
| 476 | S | 94.8 | Very high | 85.3 | Confident | 65 Ų | 65 | 56.8 Ų | 56.8 | 46% | 0.455 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 145.6 | 170.3 | 57.5 | 0 | 0 | 0 | 0 | 110.2 | N513 | S476-N513 PolarHBondContact N-O 2.87Å; S476-N513 PolarHBondContact O-N 2.81Å; S476-N513 WeakPolarHBondContact OG-CB 3.28Å |
| 477 | W | 96 | Very high | 84.5 | Confident | 20 Ų | 20 | 60.8 Ų | 60.8 | 8% | 0.076 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 148.4 | -178.2 | -70.3 | 89 | 0 | 0 | 0 | 110.7 | P445 L460 C462 L485 L490 D494 R495 I497 E511 C512 | P445-W477 HydrophobicContact CB-CH2 3.71Å; P445-W477 HydrophobicContact CB-CZ3 4.1Å; P445-W477 HydrophobicContact CG-CH2 4.47Å; P445-W477 HydrophobicContact CG-CZ3 4.45Å; L460-W477 HydrophobicContact CB-CH2 4.16Å; C462-W477 HydrophobicContact CB-CH2 3.76Å; C462-W477 HydrophobicContact CB-CZ2 3.29Å; W477-L485 HydrophobicContact CB-CD1 3.73Å; W477-L485 WeakPolarHBondContact O-CD1 3.37Å; W477-L490 HydrophobicContact CG-CD2 4.31Å; W477-D494 PolarHBondContact NE1-O 2.93Å; W477-R495 WeakPolarHBondContact CZ2-O 3.45Å; W477-I497 HydrophobicContact CB-CD1 3.79Å; W477-I497 HydrophobicContact CB-CG1 4.5Å; W477-I497 HydrophobicContact CD2-CD1 3.54Å; W477-I497 HydrophobicContact CD2-CG1 4.05Å; W477-I497 HydrophobicContact CE3-CD1 3.73Å; W477-I497 HydrophobicContact CG-CD1 3.61Å; W477-I497 HydrophobicContact CG-CG1 4.02Å; W477-I497 HydrophobicContact CZ3-CD1 4.39Å; W477-E511 WeakPolarHBondContact CA-O 3.39Å; W477-C512 HydrophobicContact CD2-CB 4.16Å; W477-C512 HydrophobicContact CE3-CB 3.94Å; W477-C512 HydrophobicContact CH2-CB 3.93Å; W477-C512 HydrophobicContact CZ2-CB 4.11Å; W477-C512 HydrophobicContact CZ3-CB 3.81Å |
| 478 | R | 94.2 | Very high | 84.4 | Confident | 137 Ų | 137 | 66 Ų | 66 | 52% | 0.517 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 153.9 | 166.7 | 63.4 | 178 | -179.5 | 175.2 | -0 | 110.9 | E511 | R478-E511 HydrophobicContact CG-CB 4.14Å; R478-E511 IonicContact CZ-OE1 3.27Å; R478-E511 IonicContact CZ-OE2 3.73Å; R478-E511 PolarHBondContact N-O 2.81Å; R478-E511 VanDerWaalsContact N-O 3.12Å; R478-E511 IonicContact NE-OE1 2.76Å; R478-E511 PolarHBondContact NE-OE1 3.32Å; R478-E511 IonicContact NE-OE2 2.92Å; R478-E511 VanDerWaalsContact NH2-CD 3.31Å; R478-E511 IonicContact NH2-OE1 2.71Å; R478-E511 PolarHBondContact NH2-OE1 3.23Å; R478-E511 IonicContact NH2-OE2 3.75Å; R478-E511 PolarHBondContact NH2-OE2 2.96Å; R478-E511 PolarHBondContact O-N 3.18Å |
| 479 | R | 93.4 | Very high | 84.9 | Confident | 15 Ų | 15 | 66 Ų | 66 | 6% | 0.057 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 134.6 | 165.9 | -61.3 | 174.4 | 52.5 | 152 | -0.3 | 109.3 | D481 G482 A483 L485 E505 Q507 E509 Y510 | R479-D481 VanDerWaalsContact C-N 3.28Å; R479-D481 WeakPolarHBondContact CB-OD1 3.44Å; R479-D481 IonicContact CZ-OD1 3.86Å; R479-D481 IonicContact CZ-OD2 3.98Å; R479-D481 IonicContact NE-OD1 2.75Å; R479-D481 PolarHBondContact NE-OD1 3.29Å; R479-D481 IonicContact NE-OD2 3.51Å; R479-D481 PolarHBondContact NE-OD2 3.17Å; R479-D481 IonicContact NH2-OD1 3.42Å; R479-D481 IonicContact NH2-OD2 2.78Å; R479-D481 PolarHBondContact NH2-OD2 3.08Å; R479-D481 PolarHBondContact O-N 3.39Å; R479-G482 PolarHBondContact O-N 2.89Å; R479-A483 WeakPolarHBondContact CB-O 3.26Å; R479-A483 WeakPolarHBondContact CD-O 3.36Å; R479-L485 HydrophobicContact CG-CD2 3.96Å; R479-E505 PolarHBondContact NH1-O 3.37Å; R479-E505 PolarHBondContact NH2-O 2.81Å; R479-Q507 PolarHBondContact NH2-O 2.96Å; R479-E509 WeakPolarHBondContact CA-O 3.16Å; R479-Y510 HydrophobicContact CG-CD1 3.99Å; R479-Y510 HydrophobicContact CG-CE1 3.69Å; R479-Y510 HydrophobicContact CG-CE2 4.35Å; R479-Y510 HydrophobicContact CG-CG 4.46Å |
| 480 | L | 92.1 | Very high | 86 | Confident | 74 Ų | 74 | 63.9 Ų | 63.9 | 39% | 0.387 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -17.6 | -178.1 | -65.2 | -172.4 | 0 | 0 | 0 | 113.6 | G482 E509 E511 T526 | L480-G482 PolarHBondContact O-N 3.09Å; L480-E509 HydrophobicContact CB-CB 4.33Å; L480-E509 HydrophobicContact CD1-CB 4.31Å; L480-E509 HydrophobicContact CD1-CG 3.82Å; L480-E509 HydrophobicContact CG-CG 4.4Å; L480-E509 PolarHBondContact N-O 2.72Å; L480-E511 HydrophobicContact CD2-CB 3.97Å; L480-E511 HydrophobicContact CG-CB 4.3Å; L480-T526 HydrophobicContact CD1-CG2 3.82Å |
| 481 | D | 88.7 | Confident | 87 | Confident | 90 Ų | 90 | 62.2 Ų | 62.2 | 48% | 0.481 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -1.9 | 170.9 | 62.4 | 4.9 | 0 | 0 | 0 | 113.4 | R479 A483 | R479-D481 VanDerWaalsContact C-N 3.28Å; R479-D481 WeakPolarHBondContact CB-OD1 3.44Å; R479-D481 IonicContact CZ-OD1 3.86Å; R479-D481 IonicContact CZ-OD2 3.98Å; R479-D481 IonicContact NE-OD1 2.75Å; R479-D481 PolarHBondContact NE-OD1 3.29Å; R479-D481 IonicContact NE-OD2 3.51Å; R479-D481 PolarHBondContact NE-OD2 3.17Å; R479-D481 IonicContact NH2-OD1 3.42Å; R479-D481 IonicContact NH2-OD2 2.78Å; R479-D481 PolarHBondContact NH2-OD2 3.08Å; R479-D481 PolarHBondContact O-N 3.39Å; D481-A483 PolarHBondContact O-N 2.99Å; D481-A483 WeakPolarHBondContact OD1-CB 3.42Å; D481-A483 PolarHBondContact OD1-N 2.73Å |
| 482 | G | 83.6 | Confident | 87.7 | Confident | 69 Ų | 69 | 59.3 Ų | 59.3 | 71% | 0.711 | 32% | 0.321 | S | S | * | . | trans | 77.4 | 1.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R479 L480 | R479-G482 PolarHBondContact O-N 2.89Å; L480-G482 PolarHBondContact O-N 3.09Å | ||
| 483 | A | 81.3 | Confident | 88 | Confident | 21 Ų | 21 | 63.4 Ų | 63.4 | 17% | 0.174 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 142.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | R479 D481 | R479-A483 WeakPolarHBondContact CB-O 3.26Å; R479-A483 WeakPolarHBondContact CD-O 3.36Å; D481-A483 PolarHBondContact O-N 2.99Å; D481-A483 WeakPolarHBondContact OD1-CB 3.42Å; D481-A483 PolarHBondContact OD1-N 2.73Å |
| 484 | P | 82.3 | Confident | 88.2 | Confident | 90 Ų | 90 | 66.1 Ų | 66.1 | 58% | 0.584 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 152.3 | 179.7 | 28.5 | -34.4 | 0 | 0 | 0 | 111.5 | ||
| 485 | L | 84.6 | Confident | 88.2 | Confident | 44 Ų | 44 | 61 Ų | 61 | 23% | 0.23 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 152 | 167.2 | -62.5 | 175.3 | 0 | 0 | 0 | 110.1 | W477 R479 I497 Y510 | W477-L485 HydrophobicContact CB-CD1 3.73Å; W477-L485 WeakPolarHBondContact O-CD1 3.37Å; R479-L485 HydrophobicContact CG-CD2 3.96Å; L485-I497 HydrophobicContact CD2-CD1 3.97Å; L485-Y510 HydrophobicContact CD2-CD1 4.02Å; L485-Y510 HydrophobicContact CD2-CE1 3.64Å |
| 486 | R | 80.8 | Confident | 88.3 | Confident | 67 Ų | 67 | 60.4 Ų | 60.4 | 25% | 0.253 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 142.7 | 174.1 | -76.8 | 176.5 | 65.6 | 178.7 | -7.1 | 110 | S489 P500 D506 | R486-S489 WeakPolarHBondContact O-CB 3.01Å; R486-S489 PolarHBondContact O-N 3.38Å; R486-S489 PolarHBondContact O-OG 2Å; R486-P500 PolarHBondContact NH1-O 3.43Å; R486-P500 PolarHBondContact NH2-O 2.85Å; R486-D506 IonicContact NH1-OD2 3.96Å; R486-D506 PolarHBondContact NH1-OD2 3.24Å |
| 487 | T | 70.5 | Confident | 88.3 | Confident | 87 Ų | 87 | 57.4 Ų | 57.4 | 53% | 0.534 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 141.8 | 177.8 | -39.9 | 0 | 0 | 0 | 0 | 110.4 | N160 S489 | N160-T487 PolarHBondContact ND2-OG1 2.84Å; N160-T487 PolarHBondContact OD1-OG1 3.13Å; T487-S489 PolarHBondContact O-N 3.12Å |
| 488 | D | 79.1 | Confident | 88.2 | Confident | 133 Ų | 133 | 59.3 Ų | 59.3 | 71% | 0.711 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 15.5 | 179.4 | -53.7 | -37.2 | 0 | 0 | 0 | 116.1 | L490 K491 | D488-L490 VanDerWaalsContact C-N 3.31Å; D488-K491 WeakPolarHBondContact O-CE 3.45Å; D488-K491 PolarHBondContact O-NZ 2.99Å |
| 489 | S | 88.3 | Confident | 88.1 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | trans | -73.8 | -23.6 | 176.4 | 69 | 0 | 0 | 0 | 0 | 112.9 | R486 T487 I497 E498 | R486-S489 WeakPolarHBondContact O-CB 3.01Å; R486-S489 PolarHBondContact O-N 3.38Å; R486-S489 PolarHBondContact O-OG 2Å; T487-S489 PolarHBondContact O-N 3.12Å; S489-I497 CarbonylContact O-C 3.5Å; S489-I497 WeakPolarHBondContact O-CA 3.23Å; S489-E498 WeakPolarHBondContact CB-O 3.3Å; S489-E498 PolarHBondContact O-N 3.43Å | ||
| 490 | L | 92.7 | Very high | 87.6 | Confident | 61 Ų | 61 | 55.8 Ų | 55.8 | 32% | 0.319 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 128.2 | -178.9 | -68 | 170.3 | 0 | 0 | 0 | 110.5 | W477 D488 D494 V496 I497 | W477-L490 HydrophobicContact CG-CD2 4.31Å; D488-L490 VanDerWaalsContact C-N 3.31Å; L490-D494 HydrophobicContact CB-CB 4.5Å; L490-D494 WeakPolarHBondContact CB-OD1 3.37Å; L490-D494 HydrophobicContact CD1-CB 4.41Å; L490-D494 HydrophobicContact CD2-CB 4.39Å; L490-V496 CarbonylContact C-O 3.57Å; L490-V496 WeakPolarHBondContact CA-O 3.42Å; L490-I497 HydrophobicContact CD2-CG1 3.82Å |
| 491 | K | 91.1 | Very high | 87.1 | Confident | 88 Ų | 88 | 56.2 Ų | 56.2 | 38% | 0.383 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 165.7 | -180 | -57.6 | -63.4 | 172.6 | -154.5 | 0 | 110 | D488 D494 R495 V496 E498 | D488-K491 WeakPolarHBondContact O-CE 3.45Å; D488-K491 PolarHBondContact O-NZ 2.99Å; K491-D494 PolarHBondContact O-N 2.83Å; K491-R495 PolarHBondContact O-N 3.44Å; K491-V496 HydrophobicContact CB-CB 4.27Å; K491-V496 HydrophobicContact CB-CG1 4.47Å; K491-V496 PolarHBondContact N-O 3.35Å; K491-V496 PolarHBondContact O-N 3.16Å; K491-V496 VanDerWaalsContact O-N 3.11Å; K491-E498 HydrophobicContact CG-CB 4.2Å; K491-E498 HydrophobicContact CG-CG 4.03Å |
| 492 | D | 89.2 | Confident | 87.1 | Confident | 33 Ų | 33 | 51.9 Ų | 51.9 | 18% | 0.176 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 61.6 | 175 | -172.4 | 9.7 | 0 | 0 | 0 | 112.7 | F381 D494 R495 V496 | F381-D492 WeakPolarHBondContact CD2-OD2 3.24Å; F381-D492 VanDerWaalsContact CE2-OD2 3.24Å; F381-D492 WeakPolarHBondContact CE2-OD2 3.31Å; D492-D494 VanDerWaalsContact C-N 3.3Å; D492-D494 PolarHBondContact O-N 3.23Å; D492-R495 VanDerWaalsContact O-CB 3.23Å; D492-R495 WeakPolarHBondContact O-CB 3.24Å; D492-R495 WeakPolarHBondContact O-CG 3.41Å; D492-R495 PolarHBondContact O-N 3.01Å; D492-R495 PolarHBondContact O-NE 2.8Å; D492-R495 IonicContact OD1-CZ 2.68Å; D492-R495 IonicContact OD1-NE 3.86Å; D492-R495 IonicContact OD1-NH2 2.73Å; D492-R495 PolarHBondContact OD1-NH2 3.11Å; D492-R495 IonicContact OD2-NE 3.2Å; D492-R495 IonicContact OD2-NH2 3.54Å; D492-V496 HydrophobicContact CB-CB 4.42Å; D492-V496 HydrophobicContact CB-CG2 3.99Å |
| 493 | Y | 89.8 | Confident | 87.3 | Confident | 89 Ų | 89 | 50 Ų | 50 | 35% | 0.349 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 43.5 | -178.2 | -54.7 | -84.5 | 0 | 0 | 0 | 112.8 | E375 R378 R495 | E375-Y493 PolarHBondContact O-OH 3.19Å; R378-Y493 HydrophobicContact CG-CD1 4.23Å; R378-Y493 HydrophobicContact CG-CD2 4.42Å; R378-Y493 HydrophobicContact CG-CE1 3.76Å; R378-Y493 HydrophobicContact CG-CE2 3.98Å; Y493-R495 PolarHBondContact O-N 3.5Å; Y493-R495 VanDerWaalsContact O-N 3.09Å |
| 494 | D | 93.2 | Very high | 87.4 | Confident | 76 Ų | 76 | 49.7 Ų | 49.7 | 41% | 0.406 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 11.1 | -180 | -50.8 | -37.9 | 0 | 0 | 0 | 115.3 | Y475 W477 L490 K491 D492 V496 | Y475-D494 WeakPolarHBondContact CB-O 3.47Å; W477-D494 PolarHBondContact NE1-O 2.93Å; L490-D494 HydrophobicContact CB-CB 4.5Å; L490-D494 WeakPolarHBondContact CB-OD1 3.37Å; L490-D494 HydrophobicContact CD1-CB 4.41Å; L490-D494 HydrophobicContact CD2-CB 4.39Å; K491-D494 PolarHBondContact O-N 2.83Å; D492-D494 VanDerWaalsContact C-N 3.3Å; D492-D494 PolarHBondContact O-N 3.23Å; D494-V496 VanDerWaalsContact C-N 3.32Å |
| 495 | R | 93 | Very high | 87.4 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.015 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -21.3 | 177.2 | -68.4 | -176 | -78.8 | -166.1 | 5.9 | 113.7 | R378 C462 Y475 W477 K491 D492 Y493 | R378-R495 PolarHBondContact O-NH1 3.14Å; R378-R495 PolarHBondContact O-NH2 3.34Å; C462-R495 PolarHBondContact N-O 2.97Å; Y475-R495 HydrophobicContact CD1-CB 4.36Å; Y475-R495 HydrophobicContact CD1-CG 3.67Å; Y475-R495 HydrophobicContact CD2-CB 4.48Å; Y475-R495 HydrophobicContact CD2-CG 3.19Å; Y475-R495 HydrophobicContact CE1-CG 3.72Å; Y475-R495 HydrophobicContact CE2-CG 3.26Å; Y475-R495 HydrophobicContact CG-CB 4.33Å; Y475-R495 HydrophobicContact CG-CG 3.41Å; Y475-R495 VanDerWaalsContact CG-CG 3.41Å; Y475-R495 VanDerWaalsContact CZ-CD 3.45Å; W477-R495 WeakPolarHBondContact CZ2-O 3.45Å; K491-R495 PolarHBondContact O-N 3.44Å; D492-R495 VanDerWaalsContact O-CB 3.23Å; D492-R495 WeakPolarHBondContact O-CB 3.24Å; D492-R495 WeakPolarHBondContact O-CG 3.41Å; D492-R495 PolarHBondContact O-N 3.01Å; D492-R495 PolarHBondContact O-NE 2.8Å; D492-R495 IonicContact OD1-CZ 2.68Å; D492-R495 IonicContact OD1-NE 3.86Å; D492-R495 IonicContact OD1-NH2 2.73Å; D492-R495 PolarHBondContact OD1-NH2 3.11Å; D492-R495 IonicContact OD2-NE 3.2Å; D492-R495 IonicContact OD2-NH2 3.54Å; Y493-R495 PolarHBondContact O-N 3.5Å; Y493-R495 VanDerWaalsContact O-N 3.09Å |
| 496 | V | 95.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 132.9 | -171.5 | 177.5 | 0 | 0 | 0 | 0 | 109.6 | F381 R459 L460 L490 K491 D492 D494 E498 | F381-V496 HydrophobicContact CE2-CG2 3.75Å; F381-V496 HydrophobicContact CZ-CG2 4.13Å; R459-V496 HydrophobicContact CG-CG1 3.41Å; R459-V496 VanDerWaalsContact CG-CG1 3.41Å; L460-V496 CarbonylContact O-C 3.57Å; L460-V496 VanDerWaalsContact O-CA 3.26Å; L460-V496 WeakPolarHBondContact O-CA 3.39Å; L490-V496 CarbonylContact C-O 3.57Å; L490-V496 WeakPolarHBondContact CA-O 3.42Å; K491-V496 HydrophobicContact CB-CB 4.27Å; K491-V496 HydrophobicContact CB-CG1 4.47Å; K491-V496 PolarHBondContact N-O 3.35Å; K491-V496 PolarHBondContact O-N 3.16Å; K491-V496 VanDerWaalsContact O-N 3.11Å; D492-V496 HydrophobicContact CB-CB 4.42Å; D492-V496 HydrophobicContact CB-CG2 3.99Å; D494-V496 VanDerWaalsContact C-N 3.32Å; V496-E498 HydrophobicContact CG1-CG 3.82Å |
| 497 | I | 95.5 | Very high | 88.1 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 115 | 163.3 | -62.7 | 172 | 0 | 0 | 0 | 107.6 | R459 L460 W477 L485 S489 L490 L499 Y510 | R459-I497 WeakPolarHBondContact CA-O 3.07Å; L460-I497 HydrophobicContact CB-CB 4.1Å; L460-I497 HydrophobicContact CD1-CB 4.22Å; L460-I497 HydrophobicContact CD1-CD1 4.19Å; L460-I497 HydrophobicContact CD1-CG2 4.38Å; L460-I497 HydrophobicContact CG-CB 4.22Å; L460-I497 PolarHBondContact N-O 2.69Å; L460-I497 PolarHBondContact O-N 2.83Å; W477-I497 HydrophobicContact CB-CD1 3.79Å; W477-I497 HydrophobicContact CB-CG1 4.5Å; W477-I497 HydrophobicContact CD2-CD1 3.54Å; W477-I497 HydrophobicContact CD2-CG1 4.05Å; W477-I497 HydrophobicContact CE3-CD1 3.73Å; W477-I497 HydrophobicContact CG-CD1 3.61Å; W477-I497 HydrophobicContact CG-CG1 4.02Å; W477-I497 HydrophobicContact CZ3-CD1 4.39Å; L485-I497 HydrophobicContact CD2-CD1 3.97Å; S489-I497 CarbonylContact O-C 3.5Å; S489-I497 WeakPolarHBondContact O-CA 3.23Å; L490-I497 HydrophobicContact CD2-CG1 3.82Å; I497-L499 HydrophobicContact CG2-CD2 3.72Å; I497-L499 HydrophobicContact CG2-CG 3.91Å; I497-Y510 HydrophobicContact CD1-CD1 3.73Å; I497-Y510 HydrophobicContact CD1-CE1 4.02Å |
| 498 | E | 94.1 | Very high | 89.1 | Confident | 60 Ų | 60 | 44.1 Ų | 44.1 | 28% | 0.28 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 122.5 | 169 | -71.4 | -172.7 | 168.3 | 0 | 0 | 110.3 | L457 R459 S489 K491 V496 P500 | L457-E498 HydrophobicContact CD1-CB 4.49Å; R459-E498 HydrophobicContact CG-CG 4.26Å; R459-E498 IonicContact NE-OE1 3.15Å; S489-E498 WeakPolarHBondContact CB-O 3.3Å; S489-E498 PolarHBondContact O-N 3.43Å; K491-E498 HydrophobicContact CG-CB 4.2Å; K491-E498 HydrophobicContact CG-CG 4.03Å; V496-E498 HydrophobicContact CG1-CG 3.82Å; E498-P500 VanDerWaalsContact O-CD 3.23Å; E498-P500 WeakPolarHBondContact O-CD 3.44Å |
| 499 | L | 90.9 | Very high | 89.9 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 89.8 | 177.4 | -57.3 | 175 | 0 | 0 | 0 | 108.5 | V458 I497 N501 V502 D506 L529 | V458-L499 HydrophobicContact CB-CB 4.36Å; V458-L499 PolarHBondContact N-O 3.29Å; V458-L499 PolarHBondContact O-N 3.15Å; I497-L499 HydrophobicContact CG2-CD2 3.72Å; I497-L499 HydrophobicContact CG2-CG 3.91Å; L499-N501 PolarHBondContact O-N 2.91Å; L499-V502 HydrophobicContact CB-CB 4.5Å; L499-V502 HydrophobicContact CB-CG2 4.43Å; L499-V502 HydrophobicContact CD1-CG2 4.16Å; L499-D506 HydrophobicContact CD1-CB 4.2Å; L499-L529 HydrophobicContact CD1-CD2 3.95Å |
| 500 | P | 83 | Confident | 90.3 | Very high | 76 Ų | 76 | 41.4 Ų | 41.4 | 49% | 0.494 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 127.8 | 171.8 | 27.1 | -32 | 0 | 0 | 0 | 108.7 | R486 E498 | R486-P500 PolarHBondContact NH1-O 3.43Å; R486-P500 PolarHBondContact NH2-O 2.85Å; E498-P500 VanDerWaalsContact O-CD 3.23Å; E498-P500 WeakPolarHBondContact O-CD 3.44Å |
| 501 | N | 82.8 | Confident | 90.5 | Very high | 83 Ų | 83 | 39.3 Ų | 39.3 | 44% | 0.444 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 66.1 | -178.3 | -177.2 | 17.9 | 0 | 0 | 0 | 112.3 | G455 Q456 L499 Q503 | G455-N501 WeakPolarHBondContact CA-OD1 3.22Å; G455-N501 WeakPolarHBondContact O-CA 3.05Å; Q456-N501 PolarHBondContact O-N 3.06Å; L499-N501 PolarHBondContact O-N 2.91Å; N501-Q503 VanDerWaalsContact CG-NE2 3.35Å; N501-Q503 PolarHBondContact O-NE2 2.95Å; N501-Q503 PolarHBondContact OD1-NE2 3Å |
| 502 | V | 88.7 | Confident | 90.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -56.8 | 136.6 | -178.5 | 74.6 | 0 | 0 | 0 | 0 | 111.7 | Q453 R454 G455 Q456 V458 L499 D506 I531 | Q453-V502 WeakPolarHBondContact O-CG1 3.49Å; R454-V502 WeakPolarHBondContact CA-O 3.36Å; G455-V502 PolarHBondContact N-O 3.48Å; Q456-V502 PolarHBondContact O-N 2.89Å; V458-V502 HydrophobicContact CB-CB 4.37Å; V458-V502 HydrophobicContact CB-CG2 4.44Å; V458-V502 HydrophobicContact CG2-CB 3.72Å; V458-V502 HydrophobicContact CG2-CG1 3.63Å; V458-V502 HydrophobicContact CG2-CG2 3.99Å; L499-V502 HydrophobicContact CB-CB 4.5Å; L499-V502 HydrophobicContact CB-CG2 4.43Å; L499-V502 HydrophobicContact CD1-CG2 4.16Å; V502-D506 HydrophobicContact CG2-CB 3.9Å; V502-I531 HydrophobicContact CG1-CG1 4.48Å; V502-I531 HydrophobicContact CG1-CG2 4.4Å; V502-I531 HydrophobicContact CG2-CD1 3.39Å; V502-I531 HydrophobicContact CG2-CG1 3.87Å | ||
| 503 | Q | 87 | Confident | 91.2 | Very high | 28 Ų | 28 | 35 Ų | 35 | 13% | 0.131 | 18% | 0.178 | C | C | . | . | trans | -114.4 | 156.5 | 178.8 | -60.7 | -54.8 | -51.1 | 0 | 0 | 111.9 | N501 E505 D506 I531 | N501-Q503 VanDerWaalsContact CG-NE2 3.35Å; N501-Q503 PolarHBondContact O-NE2 2.95Å; N501-Q503 PolarHBondContact OD1-NE2 3Å; Q503-E505 VanDerWaalsContact CB-OE2 3.22Å; Q503-E505 WeakPolarHBondContact CB-OE2 3.49Å; Q503-E505 PolarHBondContact O-N 3.24Å; Q503-D506 PolarHBondContact N-OD2 2.87Å; Q503-D506 VanDerWaalsContact O-CB 3.24Å; Q503-D506 WeakPolarHBondContact O-CB 3.37Å; Q503-D506 PolarHBondContact O-N 3.4Å; Q503-I531 VanDerWaalsContact O-CD1 3.3Å; Q503-I531 WeakPolarHBondContact O-CD1 3.41Å | ||
| 504 | P | 83.9 | Confident | 91.5 | Very high | 16 Ų | 16 | 30.9 Ų | 30.9 | 10% | 0.104 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -50.4 | -32 | 177 | -30.6 | 38.8 | 0 | 0 | 0 | 115 | D506 Q507 I561 | P504-D506 PolarHBondContact O-N 3.46Å; P504-Q507 VanDerWaalsContact O-CB 3.25Å; P504-Q507 WeakPolarHBondContact O-CB 3.38Å; P504-Q507 WeakPolarHBondContact O-CG 3.5Å; P504-Q507 PolarHBondContact O-N 3.34Å; P504-Q507 VanDerWaalsContact O-N 3.14Å; P504-I561 HydrophobicContact CB-CD1 3.89Å; P504-I561 HydrophobicContact CG-CD1 4.17Å |
| 505 | E | 82.5 | Confident | 91.4 | Very high | 81 Ų | 81 | 30.7 Ų | 30.7 | 38% | 0.379 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -75.4 | -10.9 | 180 | -53.2 | 73 | -152.2 | 0 | 0 | 113.4 | R479 Q503 | R479-E505 PolarHBondContact NH1-O 3.37Å; R479-E505 PolarHBondContact NH2-O 2.81Å; Q503-E505 VanDerWaalsContact CB-OE2 3.22Å; Q503-E505 WeakPolarHBondContact CB-OE2 3.49Å; Q503-E505 PolarHBondContact O-N 3.24Å |
| 506 | D | 88.5 | Confident | 91.2 | Very high | 7 Ų | 7 | 30.7 Ų | 30.7 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -77.3 | -10.9 | 170.4 | -62.2 | -39.7 | 0 | 0 | 0 | 111.4 | R486 L499 V502 Q503 P504 Y510 I531 | R486-D506 IonicContact NH1-OD2 3.96Å; R486-D506 PolarHBondContact NH1-OD2 3.24Å; L499-D506 HydrophobicContact CD1-CB 4.2Å; V502-D506 HydrophobicContact CG2-CB 3.9Å; Q503-D506 PolarHBondContact N-OD2 2.87Å; Q503-D506 VanDerWaalsContact O-CB 3.24Å; Q503-D506 WeakPolarHBondContact O-CB 3.37Å; Q503-D506 PolarHBondContact O-N 3.4Å; P504-D506 PolarHBondContact O-N 3.46Å; D506-Y510 WeakPolarHBondContact O-CE2 3.35Å; D506-Y510 PolarHBondContact O-OH 3.49Å; D506-Y510 VanDerWaalsContact O-OH 3.06Å; D506-I531 HydrophobicContact CB-CD1 3.96Å |
| 507 | Q | 90.5 | Very high | 90.6 | Very high | 70 Ų | 70 | 32 Ų | 32 | 33% | 0.327 | 17% | 0.168 | S | C | . | . | trans | -57.8 | 142.2 | 170.7 | -70.9 | -175.2 | -34.6 | 0 | 0 | 110.6 | R479 P504 L529 I531 | R479-Q507 PolarHBondContact NH2-O 2.96Å; P504-Q507 VanDerWaalsContact O-CB 3.25Å; P504-Q507 WeakPolarHBondContact O-CB 3.38Å; P504-Q507 WeakPolarHBondContact O-CG 3.5Å; P504-Q507 PolarHBondContact O-N 3.34Å; P504-Q507 VanDerWaalsContact O-N 3.14Å; Q507-L529 WeakPolarHBondContact CA-O 3.22Å; Q507-I531 HydrophobicContact CB-CD1 4.47Å; Q507-I531 HydrophobicContact CG-CB 3.81Å; Q507-I531 HydrophobicContact CG-CD1 3.7Å; Q507-I531 HydrophobicContact CG-CG1 4.11Å; Q507-I531 VanDerWaalsContact NE2-N 3.13Å; Q507-I531 PolarHBondContact NE2-O 3.06Å | ||
| 508 | G | 92.4 | Very high | 90 | Very high | 13 Ų | 13 | 36.5 Ų | 36.5 | 13% | 0.134 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160 | 175.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L529 | G508-L529 PolarHBondContact N-O 3.09Å; G508-L529 PolarHBondContact O-N 2.85Å |
| 509 | E | 96.1 | Very high | 89.6 | Confident | 79 Ų | 79 | 35.6 Ų | 35.6 | 37% | 0.369 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 115.3 | 174.5 | -167.6 | 171.1 | -166.1 | 0 | 0 | 110 | R479 L480 T526 L527 | R479-E509 WeakPolarHBondContact CA-O 3.16Å; L480-E509 HydrophobicContact CB-CB 4.33Å; L480-E509 HydrophobicContact CD1-CB 4.31Å; L480-E509 HydrophobicContact CD1-CG 3.82Å; L480-E509 HydrophobicContact CG-CG 4.4Å; L480-E509 PolarHBondContact N-O 2.72Å; E509-T526 HydrophobicContact CG-CG2 4.35Å; E509-T526 VanDerWaalsContact OE1-CB 3.29Å; E509-T526 WeakPolarHBondContact OE1-CB 3.29Å; E509-T526 PolarHBondContact OE1-OG1 3.43Å; E509-L527 WeakPolarHBondContact CA-O 3.32Å |
| 510 | Y | 96.6 | Very high | 89.6 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 131.7 | -179.5 | -72.7 | -104.7 | 0 | 0 | 0 | 109.3 | L460 R479 L485 I497 D506 T526 L527 L529 | L460-Y510 HydrophobicContact CD1-CD1 3.66Å; L460-Y510 HydrophobicContact CD1-CD2 4Å; L460-Y510 HydrophobicContact CD1-CE1 3.9Å; L460-Y510 HydrophobicContact CD1-CE2 4.26Å; L460-Y510 HydrophobicContact CD1-CG 3.72Å; R479-Y510 HydrophobicContact CG-CD1 3.99Å; R479-Y510 HydrophobicContact CG-CE1 3.69Å; R479-Y510 HydrophobicContact CG-CE2 4.35Å; R479-Y510 HydrophobicContact CG-CG 4.46Å; L485-Y510 HydrophobicContact CD2-CD1 4.02Å; L485-Y510 HydrophobicContact CD2-CE1 3.64Å; I497-Y510 HydrophobicContact CD1-CD1 3.73Å; I497-Y510 HydrophobicContact CD1-CE1 4.02Å; D506-Y510 WeakPolarHBondContact O-CE2 3.35Å; D506-Y510 PolarHBondContact O-OH 3.49Å; D506-Y510 VanDerWaalsContact O-OH 3.06Å; Y510-T526 CarbonylContact O-C 3.5Å; Y510-T526 WeakPolarHBondContact O-CA 3.34Å; Y510-L527 PolarHBondContact N-O 2.82Å; Y510-L527 PolarHBondContact O-N 2.88Å; Y510-L529 HydrophobicContact CD2-CB 4.09Å; Y510-L529 HydrophobicContact CE2-CB 4Å; Y510-L529 HydrophobicContact CE2-CD2 3.95Å |
| 511 | E | 97.2 | Very high | 90 | Very high | 17 Ų | 17 | 43.3 Ų | 43.3 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125.1 | 176.4 | -169.4 | -166.9 | 71.6 | 0 | 0 | 110.1 | W477 R478 L480 N513 P524 T526 | W477-E511 WeakPolarHBondContact CA-O 3.39Å; R478-E511 HydrophobicContact CG-CB 4.14Å; R478-E511 IonicContact CZ-OE1 3.27Å; R478-E511 IonicContact CZ-OE2 3.73Å; R478-E511 PolarHBondContact N-O 2.81Å; R478-E511 VanDerWaalsContact N-O 3.12Å; R478-E511 IonicContact NE-OE1 2.76Å; R478-E511 PolarHBondContact NE-OE1 3.32Å; R478-E511 IonicContact NE-OE2 2.92Å; R478-E511 VanDerWaalsContact NH2-CD 3.31Å; R478-E511 IonicContact NH2-OE1 2.71Å; R478-E511 PolarHBondContact NH2-OE1 3.23Å; R478-E511 IonicContact NH2-OE2 3.75Å; R478-E511 PolarHBondContact NH2-OE2 2.96Å; R478-E511 PolarHBondContact O-N 3.18Å; L480-E511 HydrophobicContact CD2-CB 3.97Å; L480-E511 HydrophobicContact CG-CB 4.3Å; E511-N513 PolarHBondContact OE1-ND2 2.8Å; E511-N513 PolarHBondContact OE1-OD1 3.44Å; E511-P524 HydrophobicContact CG-CB 3.82Å; E511-T526 HydrophobicContact CB-CG2 4.02Å; E511-T526 HydrophobicContact CG-CG2 3.92Å |
| 512 | C | 97.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 128.3 | 171.1 | 177.3 | 0 | 0 | 0 | 0 | 110 | I440 P445 C462 W477 P524 K525 | I440-C512 WeakPolarHBondContact CD1-O 3.39Å; P445-C512 HydrophobicContact CG-CB 4.33Å; C462-C512 HydrophobicContact CB-CB 3.76Å; C462-C512 WeakPolarHBondContact CB-SG 3.45Å; C462-C512 WeakPolarHBondContact SG-CB 3.31Å; C462-C512 CovalentContact SG-SG 2.04Å; C462-C512 PolarHBondContact SG-SG 3.28Å; W477-C512 HydrophobicContact CD2-CB 4.16Å; W477-C512 HydrophobicContact CE3-CB 3.94Å; W477-C512 HydrophobicContact CH2-CB 3.93Å; W477-C512 HydrophobicContact CZ2-CB 4.11Å; W477-C512 HydrophobicContact CZ3-CB 3.81Å; C512-P524 WeakPolarHBondContact O-CA 3.36Å; C512-K525 PolarHBondContact N-O 2.84Å; C512-K525 PolarHBondContact O-N 3.42Å |
| 513 | N | 96.6 | Very high | 90.9 | Very high | 31 Ų | 31 | 50.4 Ų | 50.4 | 17% | 0.166 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 139.3 | 174.8 | -68.3 | -81.7 | 0 | 0 | 0 | 109.5 | Y475 S476 E511 P524 | Y475-N513 WeakPolarHBondContact CA-O 3.24Å; S476-N513 PolarHBondContact N-O 2.87Å; S476-N513 PolarHBondContact O-N 2.81Å; S476-N513 WeakPolarHBondContact OG-CB 3.28Å; E511-N513 PolarHBondContact OE1-ND2 2.8Å; E511-N513 PolarHBondContact OE1-OD1 3.44Å; N513-P524 WeakPolarHBondContact OD1-CB 3.46Å |
| 514 | V | 95.3 | Very high | 91.3 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 131.1 | -178.2 | -172.2 | 0 | 0 | 0 | 0 | 110.7 | I440 A464 L473 K474 Y475 M521 A522 | I440-V514 HydrophobicContact CD1-CG2 3.97Å; I440-V514 HydrophobicContact CG1-CB 4.48Å; I440-V514 HydrophobicContact CG1-CG2 3.84Å; A464-V514 HydrophobicContact CB-CB 4.33Å; A464-V514 HydrophobicContact CB-CG1 3.97Å; A464-V514 HydrophobicContact CB-CG2 4.04Å; L473-V514 HydrophobicContact CB-CG1 4.07Å; L473-V514 HydrophobicContact CD1-CG1 4.27Å; K474-V514 WeakPolarHBondContact O-CA 3.3Å; Y475-V514 HydrophobicContact CD1-CB 4.48Å; Y475-V514 HydrophobicContact CD1-CG1 4.37Å; Y475-V514 HydrophobicContact CD1-CG2 3.47Å; Y475-V514 VanDerWaalsContact CD1-CG2 3.47Å; Y475-V514 HydrophobicContact CE1-CB 4.43Å; Y475-V514 HydrophobicContact CE1-CG1 4.07Å; Y475-V514 HydrophobicContact CE1-CG2 3.46Å; Y475-V514 VanDerWaalsContact CE1-CG2 3.46Å; Y475-V514 HydrophobicContact CE2-CG1 4.45Å; Y475-V514 HydrophobicContact CG-CG2 4.34Å; V514-M521 WeakPolarHBondContact O-CA 3.47Å; V514-A522 HydrophobicContact CB-CB 4.14Å; V514-A522 PolarHBondContact O-N 3.42Å |
| 515 | E | 92.8 | Very high | 92 | Very high | 72 Ų | 72 | 53.9 Ų | 53.9 | 34% | 0.336 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 135.3 | 175.2 | -172.9 | -169.8 | 159.4 | 0 | 0 | 109.5 | K474 G519 K520 M521 | K474-E515 HydrophobicContact CB-CB 4.37Å; K474-E515 PolarHBondContact N-O 2.91Å; K474-E515 PolarHBondContact O-N 2.96Å; E515-G519 WeakPolarHBondContact OE1-CA 3.18Å; E515-K520 CarbonylContact C-O 3.58Å; E515-K520 WeakPolarHBondContact CA-O 3.18Å; E515-M521 HydrophobicContact CG-CG 4.44Å |
| 516 | D | 88.2 | Confident | 92.7 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | trans | -83.4 | 174 | 174.2 | 78.1 | 2.9 | 0 | 0 | 0 | 112.8 | P438 L473 L518 G519 K520 | P438-D516 HydrophobicContact CB-CB 4.13Å; P438-D516 HydrophobicContact CG-CB 4.03Å; L473-D516 HydrophobicContact CD2-CB 3.74Å; D516-L518 PolarHBondContact O-N 2.81Å; D516-L518 VanDerWaalsContact O-N 3.11Å; D516-L518 WeakPolarHBondContact OD1-CA 3.42Å; D516-L518 WeakPolarHBondContact OD1-CB 3.47Å; D516-L518 PolarHBondContact OD1-N 2.85Å; D516-G519 PolarHBondContact O-N 2.68Å; D516-G519 PolarHBondContact OD1-N 2.74Å; D516-K520 PolarHBondContact N-O 2.92Å; D516-K520 PolarHBondContact OD1-N 2.93Å | ||
| 517 | S | 82.2 | Confident | 93 | Very high | 27 Ų | 27 | 54 Ų | 54 | 19% | 0.189 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -5.4 | 179.1 | 53.4 | 0 | 0 | 0 | 0 | 114.9 | Y467 | Y467-S517 WeakPolarHBondContact CD1-OG 3.33Å; Y467-S517 WeakPolarHBondContact CE1-OG 3.33Å; Y467-S517 PolarHBondContact O-N 3.01Å; Y467-S517 PolarHBondContact O-OG 3.15Å |
| 518 | L | 83.2 | Confident | 93.2 | Very high | 96 Ų | 96 | 55 Ų | 55 | 50% | 0.503 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 1 | 173.4 | -62 | 173 | 0 | 0 | 0 | 112.5 | Y467 D516 | Y467-L518 HydrophobicContact CD1-CD1 4.03Å; Y467-L518 HydrophobicContact CD1-CD2 4.5Å; Y467-L518 HydrophobicContact CD1-CG 3.88Å; Y467-L518 HydrophobicContact CE1-CD1 4.5Å; Y467-L518 HydrophobicContact CE1-CD2 4.36Å; Y467-L518 HydrophobicContact CE1-CG 4.23Å; D516-L518 PolarHBondContact O-N 2.81Å; D516-L518 VanDerWaalsContact O-N 3.11Å; D516-L518 WeakPolarHBondContact OD1-CA 3.42Å; D516-L518 WeakPolarHBondContact OD1-CB 3.47Å; D516-L518 PolarHBondContact OD1-N 2.85Å |
| 519 | G | 85.9 | Confident | 93.4 | Very high | 42 Ų | 42 | 54.5 Ų | 54.5 | 43% | 0.433 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 80.1 | 11.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | E515 D516 | E515-G519 WeakPolarHBondContact OE1-CA 3.18Å; D516-G519 PolarHBondContact O-N 2.68Å; D516-G519 PolarHBondContact OD1-N 2.74Å |
| 520 | K | 90 | Very high | 93.2 | Very high | 101 Ų | 101 | 57.8 Ų | 57.8 | 44% | 0.439 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -77 | 139.7 | 171.4 | -65.6 | 179.5 | 173.5 | -179.8 | 0 | 109.2 | D437 P438 E515 D516 | D437-K520 WeakPolarHBondContact OD1-CD 3.45Å; D437-K520 IonicContact OD1-NZ 3.29Å; D437-K520 PolarHBondContact OD1-NZ 3.29Å; P438-K520 HydrophobicContact CG-CB 3.75Å; P438-K520 WeakPolarHBondContact CG-O 3.17Å; E515-K520 CarbonylContact C-O 3.58Å; E515-K520 WeakPolarHBondContact CA-O 3.18Å; D516-K520 PolarHBondContact N-O 2.92Å; D516-K520 PolarHBondContact OD1-N 2.93Å |
| 521 | M | 92.7 | Very high | 93 | Very high | 139 Ų | 139 | 57.7 Ų | 57.7 | 69% | 0.685 | 29% | 0.29 | S | S | * | . | B | Isolated β-bridge | trans | -103.4 | 136 | 178 | -62.2 | -148.1 | -54.3 | 0 | 0 | 112 | V514 E515 | V514-M521 WeakPolarHBondContact O-CA 3.47Å; E515-M521 HydrophobicContact CG-CG 4.44Å |
| 522 | A | 94 | Very high | 92.8 | Very high | 7 Ų | 7 | 58.8 Ų | 58.8 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 155.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | P438 I440 V514 | P438-A522 HydrophobicContact CB-CB 4.16Å; P438-A522 WeakPolarHBondContact O-CA 3.25Å; P438-A522 WeakPolarHBondContact O-CB 3.13Å; I440-A522 HydrophobicContact CG1-CB 4.04Å; V514-A522 HydrophobicContact CB-CB 4.14Å; V514-A522 PolarHBondContact O-N 3.42Å |
| 523 | R | 95.8 | Very high | 92.4 | Very high | 224 Ų | 224 | 58.9 Ų | 58.9 | 85% | 0.845 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -64 | 125 | 167.1 | -69 | -174.6 | -179.6 | -171.1 | 0.3 | 109 | ||
| 524 | P | 96.2 | Very high | 92.1 | Very high | 64 Ų | 64 | 60.8 Ų | 60.8 | 42% | 0.416 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 152.2 | 179.8 | 23.8 | -31.5 | 0 | 0 | 0 | 111.5 | E511 C512 N513 | E511-P524 HydrophobicContact CG-CB 3.82Å; C512-P524 WeakPolarHBondContact O-CA 3.36Å; N513-P524 WeakPolarHBondContact OD1-CB 3.46Å |
| 525 | K | 97.7 | Very high | 92 | Very high | 53 Ų | 53 | 60.8 Ų | 60.8 | 23% | 0.23 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 146.4 | 174.9 | -75.6 | -172.1 | 172.9 | 165.6 | 0 | 110.4 | I440 Y441 D442 F444 P445 C512 | I440-K525 HydrophobicContact CB-CD 4.07Å; I440-K525 HydrophobicContact CB-CG 4.42Å; I440-K525 HydrophobicContact CD1-CB 4.32Å; I440-K525 HydrophobicContact CG2-CB 4.43Å; I440-K525 HydrophobicContact CG2-CD 3.89Å; I440-K525 HydrophobicContact CG2-CG 4.45Å; I440-K525 PolarHBondContact O-NZ 2.93Å; Y441-K525 PolarHBondContact O-NZ 3.3Å; D442-K525 IonicContact OD1-NZ 2.71Å; D442-K525 PolarHBondContact OD1-NZ 3.2Å; F444-K525 WeakPolarHBondContact O-CD 3.39Å; P445-K525 HydrophobicContact CG-CB 4.46Å; C512-K525 PolarHBondContact N-O 2.84Å; C512-K525 PolarHBondContact O-N 3.42Å |
| 526 | T | 96.8 | Very high | 91.7 | Very high | 64 Ų | 64 | 58.9 Ų | 58.9 | 39% | 0.393 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 155 | -176.6 | 66.1 | 0 | 0 | 0 | 0 | 112.1 | L480 E509 Y510 E511 | L480-T526 HydrophobicContact CD1-CG2 3.82Å; E509-T526 HydrophobicContact CG-CG2 4.35Å; E509-T526 VanDerWaalsContact OE1-CB 3.29Å; E509-T526 WeakPolarHBondContact OE1-CB 3.29Å; E509-T526 PolarHBondContact OE1-OG1 3.43Å; Y510-T526 CarbonylContact O-C 3.5Å; Y510-T526 WeakPolarHBondContact O-CA 3.34Å; E511-T526 HydrophobicContact CB-CG2 4.02Å; E511-T526 HydrophobicContact CG-CG2 3.92Å |
| 527 | L | 95.5 | Very high | 91.5 | Very high | 26 Ų | 26 | 60.2 Ų | 60.2 | 14% | 0.136 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 125.7 | 174.3 | 169.3 | 71.8 | 0 | 0 | 0 | 108.4 | P445 V447 L460 E509 Y510 | P445-L527 HydrophobicContact CB-CB 3.97Å; P445-L527 HydrophobicContact CB-CD2 4.27Å; P445-L527 HydrophobicContact CG-CB 3.77Å; V447-L527 HydrophobicContact CB-CD2 4.13Å; V447-L527 HydrophobicContact CG1-CD1 4.46Å; L460-L527 HydrophobicContact CB-CD2 4.35Å; L460-L527 HydrophobicContact CD2-CD2 3.84Å; L460-L527 HydrophobicContact CG-CD2 4.48Å; E509-L527 WeakPolarHBondContact CA-O 3.32Å; Y510-L527 PolarHBondContact N-O 2.82Å; Y510-L527 PolarHBondContact O-N 2.88Å |
| 528 | N | 95.5 | Very high | 91.1 | Very high | 92 Ų | 92 | 60.7 Ų | 60.7 | 49% | 0.492 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 102.2 | 176 | -173.3 | -2.2 | 0 | 0 | 0 | 110.3 | K530 | N528-K530 PolarHBondContact O-N 2.9Å |
| 529 | L | 94.8 | Very high | 90.5 | Very high | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 110.1 | 178.9 | 179.9 | 60.5 | 0 | 0 | 0 | 110.1 | V447 P452 V458 L460 L499 Q507 G508 Y510 I531 | V447-L529 HydrophobicContact CG2-CD1 3.94Å; P452-L529 HydrophobicContact CG-CD1 3.78Å; V458-L529 HydrophobicContact CG1-CD1 4.15Å; L460-L529 HydrophobicContact CD2-CD1 4.16Å; L460-L529 HydrophobicContact CD2-CD2 4.33Å; L499-L529 HydrophobicContact CD1-CD2 3.95Å; Q507-L529 WeakPolarHBondContact CA-O 3.22Å; G508-L529 PolarHBondContact N-O 3.09Å; G508-L529 PolarHBondContact O-N 2.85Å; Y510-L529 HydrophobicContact CD2-CB 4.09Å; Y510-L529 HydrophobicContact CE2-CB 4Å; Y510-L529 HydrophobicContact CE2-CD2 3.95Å; L529-I531 HydrophobicContact CD1-CG1 4.41Å; L529-I531 HydrophobicContact CD2-CD1 4.09Å; L529-I531 HydrophobicContact CG-CD1 4.12Å; L529-I531 HydrophobicContact CG-CG1 4.22Å |
| 530 | K | 93.2 | Very high | 90.3 | Very high | 147 Ų | 147 | 58.6 Ų | 58.6 | 64% | 0.639 | 29% | 0.287 | S | S | * | . | trans | -109.1 | 114.2 | 173.8 | -68.7 | -174.7 | 179.1 | 179.5 | 0 | 110.5 | N528 | N528-K530 PolarHBondContact O-N 2.9Š| ||
| 531 | I | 91.9 | Very high | 90.1 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | trans | -96.1 | 137 | 177.8 | -65.6 | 143.6 | 0 | 0 | 0 | 109.7 | P452 R454 V502 Q503 D506 Q507 L529 | P452-I531 HydrophobicContact CG-CG1 4.24Å; P452-I531 WeakPolarHBondContact O-CA 3.22Å; R454-I531 HydrophobicContact CB-CG2 4.46Å; V502-I531 HydrophobicContact CG1-CG1 4.48Å; V502-I531 HydrophobicContact CG1-CG2 4.4Å; V502-I531 HydrophobicContact CG2-CD1 3.39Å; V502-I531 HydrophobicContact CG2-CG1 3.87Å; Q503-I531 VanDerWaalsContact O-CD1 3.3Å; Q503-I531 WeakPolarHBondContact O-CD1 3.41Å; D506-I531 HydrophobicContact CB-CD1 3.96Å; Q507-I531 HydrophobicContact CB-CD1 4.47Å; Q507-I531 HydrophobicContact CG-CB 3.81Å; Q507-I531 HydrophobicContact CG-CD1 3.7Å; Q507-I531 HydrophobicContact CG-CG1 4.11Å; Q507-I531 VanDerWaalsContact NE2-N 3.13Å; Q507-I531 PolarHBondContact NE2-O 3.06Å; L529-I531 HydrophobicContact CD1-CG1 4.41Å; L529-I531 HydrophobicContact CD2-CD1 4.09Å; L529-I531 HydrophobicContact CG-CD1 4.12Å; L529-I531 HydrophobicContact CG-CG1 4.22Å | ||
| 532 | T | 92.1 | Very high | 89.7 | Confident | 40 Ų | 40 | 54.1 Ų | 54.1 | 25% | 0.245 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -103.6 | 161.9 | 169.7 | 61.3 | 0 | 0 | 0 | 0 | 110 | P452 Q453 R454 L622 | P452-T532 PolarHBondContact O-N 3.33Å; P452-T532 PolarHBondContact O-OG1 2.76Å; Q453-T532 CarbonylContact C-O 3.52Å; Q453-T532 VanDerWaalsContact CA-O 3.26Å; Q453-T532 WeakPolarHBondContact CA-O 3.37Å; R454-T532 PolarHBondContact N-O 3.07Å; T532-L622 HydrophobicContact CG2-CD1 4.48Å |
| 533 | A | 90 | Very high | 89.3 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 123.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | R454 Y536 I561 N620 | R454-A533 HydrophobicContact CB-CB 3.88Å; A533-Y536 HydrophobicContact CB-CD1 4.46Å; A533-Y536 HydrophobicContact CB-CE1 4.08Å; A533-I561 HydrophobicContact CB-CB 4.18Å; A533-I561 HydrophobicContact CB-CG1 4.32Å; A533-I561 PolarHBondContact N-O 2.87Å; A533-I561 CarbonylContact O-C 3.17Å; A533-I561 PolarHBondContact O-N 2.7Å; A533-N620 PolarHBondContact O-ND2 2.85Å |
| 534 | K | 90.5 | Very high | 88.8 | Confident | 71 Ų | 71 | 47 Ų | 47 | 31% | 0.309 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 153.7 | 158.8 | -66.4 | -179.9 | 179.1 | -178.6 | 0 | 108.5 | D216 Y536 L622 | D216-K534 IonicContact OD2-NZ 3.01Å; D216-K534 PolarHBondContact OD2-NZ 2.51Å; K534-Y536 WeakPolarHBondContact O-CD1 3.47Å; K534-Y536 PolarHBondContact O-N 2.83Å; K534-L622 WeakPolarHBondContact CE-O 3.42Å; K534-L622 HydrophobicContact CG-CB 3.79Å |
| 535 | P | 92.1 | Very high | 88.4 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.019 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 141.6 | 178.2 | -22.6 | 35.5 | 0 | 0 | 0 | 111 | S559 P564 A618 N620 G623 E625 | P535-S559 CarbonylContact C-O 3.51Å; P535-S559 VanDerWaalsContact CA-O 3.26Å; P535-S559 WeakPolarHBondContact CA-O 3.4Å; P535-P564 HydrophobicContact CB-CB 4.02Å; P535-P564 HydrophobicContact CG-CB 3.99Å; P535-A618 HydrophobicContact CB-CB 4.02Å; P535-N620 WeakPolarHBondContact CD-OD1 3.31Å; P535-N620 HydrophobicContact CG-CB 4.3Å; P535-G623 WeakPolarHBondContact CD-O 3.22Å; P535-E625 HydrophobicContact CB-CB 4.23Å; P535-E625 VanDerWaalsContact O-CB 3.31Å; P535-E625 WeakPolarHBondContact O-CB 3.39Å |
| 536 | Y | 88.4 | Confident | 88 | Confident | 31 Ų | 31 | 43.5 Ų | 43.5 | 12% | 0.122 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 139.3 | 174.1 | 59.7 | -87 | 0 | 0 | 0 | 109.3 | V93 R454 A533 K534 T538 A558 S559 | V93-Y536 HydrophobicContact CG1-CD2 3.7Å; V93-Y536 HydrophobicContact CG1-CE2 3.57Å; R454-Y536 VanDerWaalsContact CD-CE1 3.42Å; A533-Y536 HydrophobicContact CB-CD1 4.46Å; A533-Y536 HydrophobicContact CB-CE1 4.08Å; K534-Y536 WeakPolarHBondContact O-CD1 3.47Å; K534-Y536 PolarHBondContact O-N 2.83Å; Y536-T538 HydrophobicContact CE2-CG2 4.22Å; Y536-T538 PolarHBondContact O-N 2.82Å; Y536-A558 CarbonylContact O-C 3.58Å; Y536-A558 VanDerWaalsContact O-CA 3.29Å; Y536-A558 WeakPolarHBondContact O-CA 3.26Å; Y536-S559 WeakPolarHBondContact CD1-O 3.39Å; Y536-S559 PolarHBondContact N-O 3.31Å; Y536-S559 PolarHBondContact O-N 2.82Å; Y536-S559 PolarHBondContact OH-OG 2.81Å |
| 537 | F | 83.3 | Confident | 87.7 | Confident | 32 Ų | 32 | 41.5 Ų | 41.5 | 14% | 0.14 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 127.9 | -179 | -66.9 | -66.1 | 0 | 0 | 0 | 111.2 | P540 C556 E557 A558 A618 E625 S627 | F537-P540 HydrophobicContact CB-CB 4.13Å; F537-P540 HydrophobicContact CG-CB 4.41Å; F537-C556 WeakPolarHBondContact CE1-SG 3.33Å; F537-E557 CarbonylContact C-O 3.13Å; F537-E557 VanDerWaalsContact CA-O 3.28Å; F537-E557 WeakPolarHBondContact CA-O 3.41Å; F537-A558 HydrophobicContact CD1-CB 3.84Å; F537-A558 HydrophobicContact CE1-CB 3.94Å; F537-A618 HydrophobicContact CE1-CB 4.11Å; F537-A618 HydrophobicContact CZ-CB 4.36Å; F537-E625 HydrophobicContact CD2-CB 4.49Å; F537-E625 HydrophobicContact CD2-CG 3.75Å; F537-E625 HydrophobicContact CE2-CB 3.99Å; F537-E625 HydrophobicContact CE2-CG 3.55Å; F537-E625 HydrophobicContact CZ-CB 4.45Å; F537-E625 HydrophobicContact CZ-CG 4.46Å; F537-E625 WeakPolarHBondContact CZ-O 3.45Å; F537-S627 VanDerWaalsContact CE2-N 3.3Å; F537-S627 VanDerWaalsContact CZ-N 3.32Å |
| 538 | T | 73.2 | Confident | 87.5 | Confident | 37 Ų | 37 | 41.6 Ų | 41.6 | 23% | 0.227 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -31.1 | 162.9 | 53 | 0 | 0 | 0 | 0 | 110.8 | V93 Y536 E557 | V93-T538 HydrophobicContact CB-CG2 4.02Å; V93-T538 HydrophobicContact CG1-CG2 3.7Å; Y536-T538 HydrophobicContact CE2-CG2 4.22Å; Y536-T538 PolarHBondContact O-N 2.82Å; T538-E557 PolarHBondContact N-O 3.4Å; T538-E557 WeakPolarHBondContact OG1-CB 3.37Å; T538-E557 PolarHBondContact OG1-O 2.97Å |
| 539 | T | 71.5 | Confident | 87.2 | Confident | 29 Ų | 29 | 42.4 Ų | 42.4 | 18% | 0.178 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 97.3 | 173.8 | -51.8 | 0 | 0 | 0 | 0 | 108.6 | Q53 E557 | Q53-T539 PolarHBondContact NE2-OG1 3.14Å; T539-E557 PolarHBondContact N-O 3.09Å; T539-E557 VanDerWaalsContact N-O 3.13Å; T539-E557 PolarHBondContact O-N 2.86Å; T539-E557 PolarHBondContact OG1-OE2 3.45Å |
| 540 | P | 81.9 | Confident | 87 | Confident | 65 Ų | 65 | 44 Ų | 44 | 42% | 0.422 | 23% | 0.23 | S | C | . | . | trans | -74.7 | 161.6 | 176.8 | 31.9 | -34.6 | 0 | 0 | 0 | 111.3 | F537 S627 | F537-P540 HydrophobicContact CB-CB 4.13Å; F537-P540 HydrophobicContact CG-CB 4.41Å; P540-S627 WeakPolarHBondContact CB-OG 3.46Å | ||
| 541 | L | 85.9 | Confident | 86.9 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | trans | -66.8 | 146.3 | 172.9 | -60.2 | -174 | 0 | 0 | 0 | 111.6 | Q28 L554 T555 C556 W568 C616 S627 A629 | Q28-L541 PolarHBondContact NE2-O 3.49Å; L541-L554 HydrophobicContact CD2-CB 4.22Å; L541-T555 WeakPolarHBondContact CD2-O 3.07Å; L541-C556 HydrophobicContact CD2-CB 3.97Å; L541-W568 HydrophobicContact CD1-CH2 4.17Å; L541-W568 HydrophobicContact CD1-CZ3 3.73Å; L541-W568 HydrophobicContact CD2-CH2 3.59Å; L541-W568 HydrophobicContact CD2-CZ3 4Å; L541-W568 HydrophobicContact CG-CH2 4.49Å; L541-C616 HydrophobicContact CD1-CB 3.92Å; L541-C616 HydrophobicContact CG-CB 4.23Å; L541-S627 VanDerWaalsContact CD1-O 3.3Å; L541-S627 WeakPolarHBondContact CD1-O 3.39Å; L541-S627 PolarHBondContact N-OG 3.49Å; L541-A629 HydrophobicContact CB-CB 3.65Å; L541-A629 HydrophobicContact CD1-CB 4.38Å | ||
| 542 | Q | 82.7 | Confident | 86.9 | Confident | 143 Ų | 143 | 39.8 Ų | 39.8 | 67% | 0.668 | 21% | 0.214 | S | C | * | . | trans | -123.8 | 144.4 | 174.2 | -63.4 | -175 | -3.1 | 0 | 0 | 110.1 | T544 A629 | Q542-T544 PolarHBondContact O-N 2.96Å; Q542-T544 PolarHBondContact O-OG1 2.92Å; Q542-T544 VanDerWaalsContact O-OG1 3.07Å; Q542-A629 VanDerWaalsContact C-CB 3.45Å; Q542-A629 VanDerWaalsContact O-CB 3.23Å; Q542-A629 WeakPolarHBondContact O-CB 3.49Å | ||
| 543 | N | 86.3 | Confident | 86.8 | Confident | 46 Ų | 46 | 43 Ų | 43 | 25% | 0.246 | 23% | 0.225 | C | C | . | . | trans | -57 | 133.5 | 175.3 | -60 | -36.9 | 0 | 0 | 0 | 109.3 | Q28 L194 A629 E630 | Q28-N543 PolarHBondContact OE1-ND2 3.41Å; L194-N543 HydrophobicContact CD1-CB 4.25Å; L194-N543 HydrophobicContact CD2-CB 4.35Å; L194-N543 HydrophobicContact CG-CB 4.34Å; N543-A629 WeakPolarHBondContact OD1-CA 2.99Å; N543-E630 CarbonylContact C-O 3.58Å; N543-E630 WeakPolarHBondContact CA-O 2.94Å; N543-E630 PolarHBondContact OD1-N 3.34Å | ||
| 544 | T | 84.9 | Confident | 86.8 | Confident | 36 Ų | 36 | 43.1 Ų | 43.1 | 22% | 0.221 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 116.5 | -171.8 | -60.6 | 0 | 0 | 0 | 0 | 108.8 | Q542 V546 V552 E630 V631 R632 | Q542-T544 PolarHBondContact O-N 2.96Å; Q542-T544 PolarHBondContact O-OG1 2.92Å; Q542-T544 VanDerWaalsContact O-OG1 3.07Å; T544-V546 HydrophobicContact CG2-CG1 3.61Å; T544-V552 HydrophobicContact CG2-CG1 4.27Å; T544-E630 PolarHBondContact N-O 3.48Å; T544-V631 WeakPolarHBondContact O-CA 3.25Å; T544-R632 PolarHBondContact O-N 3.04Å |
| 545 | V | 87.9 | Confident | 86.6 | Confident | 19 Ų | 19 | 41.1 Ų | 41.1 | 12% | 0.115 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 118.3 | 177.8 | -172.6 | 0 | 0 | 0 | 0 | 108.7 | K192 L194 R632 L634 | K192-V545 HydrophobicContact CB-CB 3.88Å; K192-V545 HydrophobicContact CB-CG1 3.91Å; K192-V545 VanDerWaalsContact O-CB 3.28Å; K192-V545 WeakPolarHBondContact O-CB 3.44Å; K192-V545 WeakPolarHBondContact O-CG2 3.06Å; L194-V545 HydrophobicContact CD2-CG2 4Å; V545-R632 WeakPolarHBondContact CA-O 3.41Å; V545-R632 HydrophobicContact CG1-CB 4.36Å; V545-R632 HydrophobicContact CG2-CB 4.27Å; V545-L634 HydrophobicContact CG1-CD1 3.36Å; V545-L634 HydrophobicContact CG1-CD2 4.05Å; V545-L634 HydrophobicContact CG1-CG 3.58Å |
| 546 | V | 89.5 | Confident | 86.2 | Confident | 24 Ų | 24 | 41 Ų | 41 | 15% | 0.145 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 159.8 | -168.1 | -72.9 | 0 | 0 | 0 | 0 | 112.3 | T544 V552 V606 R632 V633 L634 | T544-V546 HydrophobicContact CG2-CG1 3.61Å; V546-V552 HydrophobicContact CB-CG2 4.19Å; V546-V552 HydrophobicContact CG1-CG2 3.98Å; V546-V552 HydrophobicContact CG2-CG2 3.51Å; V546-V606 HydrophobicContact CG2-CG2 4.07Å; V546-R632 PolarHBondContact N-O 3.33Å; V546-V633 HydrophobicContact CG2-CG2 4.27Å; V546-V633 CarbonylContact O-C 3.55Å; V546-V633 WeakPolarHBondContact O-CA 3.46Å; V546-L634 PolarHBondContact O-N 2.88Å |
| 547 | D | 90.3 | Very high | 86.1 | Confident | 23 Ų | 23 | 40.9 Ų | 40.9 | 12% | 0.123 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 147.5 | 176.2 | -68.5 | -15.1 | 0 | 0 | 0 | 111.1 | K192 N549 S550 V606 A665 P666 A667 | K192-D547 IonicContact NZ-OD1 2.75Å; K192-D547 PolarHBondContact NZ-OD1 2.93Å; K192-D547 IonicContact NZ-OD2 3.2Å; K192-D547 PolarHBondContact NZ-OD2 2.85Å; D547-N549 PolarHBondContact O-N 2.77Å; D547-S550 WeakPolarHBondContact O-CB 3.26Å; D547-S550 PolarHBondContact O-N 3.25Å; D547-S550 PolarHBondContact O-OG 3.11Å; D547-V606 WeakPolarHBondContact O-CG2 3.2Å; D547-A665 WeakPolarHBondContact OD1-CB 3.49Å; D547-P666 HydrophobicContact CB-CB 4.47Å; D547-A667 PolarHBondContact OD2-N 3.09Å; D547-A667 VanDerWaalsContact OD2-N 3.16Å |
| 548 | I | 91.6 | Very high | 86.3 | Confident | 27 Ų | 27 | 39.4 Ų | 39.4 | 14% | 0.138 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | 142.6 | 168.8 | -167 | 170.4 | 0 | 0 | 0 | 111.3 | S550 V606 L608 V633 L634 E635 P666 | I548-S550 VanDerWaalsContact C-N 3.26Å; I548-S550 PolarHBondContact O-N 2.71Å; I548-V606 WeakPolarHBondContact CG1-O 3.38Å; I548-L608 HydrophobicContact CD1-CG 4.36Å; I548-V633 HydrophobicContact CB-CG1 4.04Å; I548-V633 HydrophobicContact CG1-CG1 4.46Å; I548-L634 PolarHBondContact N-O 3.1Å; I548-L634 VanDerWaalsContact N-O 3.13Å; I548-E635 HydrophobicContact CG2-CB 4.4Å; I548-E635 HydrophobicContact CG2-CG 4.38Å; I548-P666 HydrophobicContact CG2-CG 3.9Å |
| 549 | N | 89.6 | Confident | 86.9 | Confident | 109 Ų | 109 | 39 Ų | 39 | 58% | 0.583 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | 3.8 | -175.7 | -53.1 | -58.6 | 0 | 0 | 0 | 116.5 | D547 V606 | D547-N549 PolarHBondContact O-N 2.77Å; N549-V606 PolarHBondContact N-O 3.31Å |
| 550 | S | 90.7 | Very high | 87.7 | Confident | 36 Ų | 36 | 37.6 Ų | 37.6 | 25% | 0.252 | 20% | 0.203 | S | C | . | . | trans | -76.7 | 166.9 | 170.2 | 79.7 | 0 | 0 | 0 | 0 | 112.1 | D547 I548 K605 V606 | D547-S550 WeakPolarHBondContact O-CB 3.26Å; D547-S550 PolarHBondContact O-N 3.25Å; D547-S550 PolarHBondContact O-OG 3.11Å; I548-S550 VanDerWaalsContact C-N 3.26Å; I548-S550 PolarHBondContact O-N 2.71Å; S550-K605 CarbonylContact O-C 3.52Å; S550-K605 VanDerWaalsContact O-CA 3.32Å; S550-K605 WeakPolarHBondContact O-CA 3.38Å; S550-K605 PolarHBondContact O-N 3.47Å; S550-V606 WeakPolarHBondContact O-CG2 3.44Å; S550-V606 PolarHBondContact O-N 3.4Å | ||
| 551 | D | 91.2 | Very high | 88 | Confident | 58 Ų | 58 | 36.8 Ų | 36.8 | 31% | 0.31 | 20% | 0.195 | S | C | . | . | trans | -93.5 | 139.4 | 166.6 | -76.7 | 5.1 | 0 | 0 | 0 | 109 | F553 R602 I603 Q604 K605 | D551-F553 HydrophobicContact CB-CE2 3.87Å; D551-F553 HydrophobicContact CB-CZ 4.34Å; D551-R602 IonicContact OD2-CZ 3.62Å; D551-R602 IonicContact OD2-NE 3.5Å; D551-R602 IonicContact OD2-NH2 2.94Å; D551-R602 PolarHBondContact OD2-NH2 3.43Å; D551-I603 WeakPolarHBondContact CA-O 3.3Å; D551-Q604 VanDerWaalsContact OD1-CA 3.25Å; D551-Q604 WeakPolarHBondContact OD1-CA 3.44Å; D551-K605 PolarHBondContact OD1-N 3.16Å | ||
| 552 | V | 90.9 | Very high | 88.3 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 137.5 | 174.7 | 171.8 | 0 | 0 | 0 | 0 | 109.7 | T544 V546 L554 R602 I603 V606 V631 | T544-V552 HydrophobicContact CG2-CG1 4.27Å; V546-V552 HydrophobicContact CB-CG2 4.19Å; V546-V552 HydrophobicContact CG1-CG2 3.98Å; V546-V552 HydrophobicContact CG2-CG2 3.51Å; V552-L554 HydrophobicContact CG1-CD2 4Å; V552-L554 HydrophobicContact CG1-CG 3.99Å; V552-R602 CarbonylContact O-C 3.55Å; V552-R602 WeakPolarHBondContact O-CA 3.43Å; V552-I603 HydrophobicContact CB-CB 4.29Å; V552-I603 PolarHBondContact N-O 2.83Å; V552-I603 PolarHBondContact O-N 2.88Å; V552-V606 HydrophobicContact CB-CG1 4.12Å; V552-V606 HydrophobicContact CG2-CG1 3.58Å; V552-V631 HydrophobicContact CG1-CG2 4.45Å |
| 553 | F | 89.5 | Confident | 88.5 | Confident | 107 Ų | 107 | 37.7 Ų | 37.7 | 47% | 0.469 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 106.3 | 174 | -60.6 | -94.3 | 0 | 0 | 0 | 108.6 | D551 T600 R602 | D551-F553 HydrophobicContact CB-CE2 3.87Å; D551-F553 HydrophobicContact CB-CZ 4.34Å; F553-T600 HydrophobicContact CB-CG2 4.14Å; F553-T600 HydrophobicContact CD1-CG2 4.23Å; F553-R602 HydrophobicContact CD1-CB 4.06Å; F553-R602 HydrophobicContact CD1-CG 3.95Å; F553-R602 HydrophobicContact CE1-CB 4.13Å; F553-R602 HydrophobicContact CE1-CG 3.6Å; F553-R602 HydrophobicContact CZ-CG 4.13Å |
| 554 | L | 91.1 | Very high | 88.7 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 104.9 | 171.1 | -60.1 | 179.7 | 0 | 0 | 0 | 107.6 | L541 V552 W568 T600 L601 F614 V631 | L541-L554 HydrophobicContact CD2-CB 4.22Å; V552-L554 HydrophobicContact CG1-CD2 4Å; V552-L554 HydrophobicContact CG1-CG 3.99Å; L554-W568 HydrophobicContact CB-CH2 3.56Å; L554-W568 HydrophobicContact CB-CZ3 3.81Å; L554-W568 HydrophobicContact CD1-CZ3 4.18Å; L554-W568 WeakPolarHBondContact O-CH2 3.29Å; L554-W568 WeakPolarHBondContact O-CZ2 3.33Å; L554-T600 CarbonylContact O-C 3.53Å; L554-T600 VanDerWaalsContact O-CA 3.25Å; L554-T600 WeakPolarHBondContact O-CA 3.43Å; L554-L601 HydrophobicContact CB-CB 4.34Å; L554-L601 HydrophobicContact CD1-CD2 4.4Å; L554-L601 PolarHBondContact N-O 3.01Å; L554-L601 PolarHBondContact O-N 2.92Å; L554-F614 HydrophobicContact CD1-CB 3.7Å; L554-F614 HydrophobicContact CD1-CD1 4.25Å; L554-F614 HydrophobicContact CD1-CD2 4.08Å; L554-F614 HydrophobicContact CD1-CG 3.74Å; L554-V631 HydrophobicContact CD1-CG2 3.77Å; L554-V631 HydrophobicContact CD2-CG2 3.9Å; L554-V631 HydrophobicContact CG-CG2 4.25Å |
| 555 | T | 85.4 | Confident | 88.9 | Confident | 29 Ų | 29 | 37 Ų | 37 | 18% | 0.178 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 129.2 | 179.2 | -62.5 | 0 | 0 | 0 | 0 | 110.2 | L541 E557 R598 T600 | L541-T555 WeakPolarHBondContact CD2-O 3.07Å; T555-E557 HydrophobicContact CG2-CG 4.26Å; T555-R598 HydrophobicContact CG2-CG 4.24Å; T555-T600 WeakPolarHBondContact OG1-CG2 3.31Å; T555-T600 PolarHBondContact OG1-OG1 2.88Å |
| 556 | C | 85.4 | Confident | 89 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 122 | 180 | 175 | 0 | 0 | 0 | 0 | 108.3 | F537 L541 W568 S599 C616 | F537-C556 WeakPolarHBondContact CE1-SG 3.33Å; L541-C556 HydrophobicContact CD2-CB 3.97Å; C556-W568 HydrophobicContact CB-CH2 3.98Å; C556-W568 HydrophobicContact CB-CZ2 3.76Å; C556-S599 PolarHBondContact N-O 2.96Å; C556-S599 PolarHBondContact O-N 3.19Å; C556-S599 VanDerWaalsContact O-O 3.08Å; C556-C616 HydrophobicContact CB-CB 3.52Å; C556-C616 WeakPolarHBondContact CB-SG 3.34Å; C556-C616 WeakPolarHBondContact SG-CB 3.39Å; C556-C616 CovalentContact SG-SG 2.03Å; C556-C616 PolarHBondContact SG-SG 3.21Å |
| 557 | E | 85.9 | Confident | 89.1 | Confident | 30 Ų | 30 | 37 Ų | 37 | 14% | 0.14 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 121 | 175.8 | -64.2 | 175.8 | 176.1 | 0 | 0 | 110.7 | Q53 F537 T538 T539 T555 T597 R598 | Q53-E557 PolarHBondContact NE2-OE1 2.75Å; Q53-E557 PolarHBondContact NE2-OE2 2.98Å; Q53-E557 VanDerWaalsContact NE2-OE2 3.08Å; F537-E557 CarbonylContact C-O 3.13Å; F537-E557 VanDerWaalsContact CA-O 3.28Å; F537-E557 WeakPolarHBondContact CA-O 3.41Å; T538-E557 PolarHBondContact N-O 3.4Å; T538-E557 WeakPolarHBondContact OG1-CB 3.37Å; T538-E557 PolarHBondContact OG1-O 2.97Å; T539-E557 PolarHBondContact N-O 3.09Å; T539-E557 VanDerWaalsContact N-O 3.13Å; T539-E557 PolarHBondContact O-N 2.86Å; T539-E557 PolarHBondContact OG1-OE2 3.45Å; T555-E557 HydrophobicContact CG2-CG 4.26Å; E557-T597 CarbonylContact C-O 3.16Å; E557-T597 WeakPolarHBondContact CA-O 3.19Å; E557-R598 HydrophobicContact CG-CB 3.85Å; E557-R598 HydrophobicContact CG-CG 3.68Å; E557-R598 WeakPolarHBondContact OE1-CD 3.21Å; E557-R598 IonicContact OE1-CZ 2.7Å; E557-R598 IonicContact OE1-NE 2.81Å; E557-R598 PolarHBondContact OE1-NE 3.13Å |
| 558 | A | 86.6 | Confident | 89.3 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 135.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y536 F537 P564 T597 A618 | Y536-A558 CarbonylContact O-C 3.58Å; Y536-A558 VanDerWaalsContact O-CA 3.29Å; Y536-A558 WeakPolarHBondContact O-CA 3.26Å; F537-A558 HydrophobicContact CD1-CB 3.84Å; F537-A558 HydrophobicContact CE1-CB 3.94Å; A558-P564 HydrophobicContact CB-CG 4.1Å; A558-P564 VanDerWaalsContact O-CG 3.29Å; A558-P564 WeakPolarHBondContact O-CG 3.22Å; A558-T597 PolarHBondContact N-O 2.94Å; A558-T597 VanDerWaalsContact O-CA 3.28Å; A558-T597 WeakPolarHBondContact O-CA 3.25Å; A558-T597 WeakPolarHBondContact O-CB 3.37Å; A558-T597 WeakPolarHBondContact O-CG2 3.37Å; A558-A618 HydrophobicContact CB-CB 3.3Å |
| 559 | S | 86.7 | Confident | 89.4 | Confident | 28 Ų | 28 | 35 Ų | 35 | 20% | 0.196 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 160.4 | 171.7 | -173.1 | 0 | 0 | 0 | 0 | 109.7 | P535 Y536 | P535-S559 CarbonylContact C-O 3.51Å; P535-S559 VanDerWaalsContact CA-O 3.26Å; P535-S559 WeakPolarHBondContact CA-O 3.4Å; Y536-S559 WeakPolarHBondContact CD1-O 3.39Å; Y536-S559 PolarHBondContact N-O 3.31Å; Y536-S559 PolarHBondContact O-N 2.82Å; Y536-S559 PolarHBondContact OH-OG 2.81Å |
| 560 | G | 88 | Confident | 89.6 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 180 | 158.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | P562 N563 | G560-P562 VanDerWaalsContact C-C 3.43Å; G560-P562 CarbonylContact C-O 3.44Å; G560-P562 CarbonylContact O-C 3.49Å; G560-N563 WeakPolarHBondContact O-CA 3.46Å; G560-N563 PolarHBondContact O-N 2.86Å; G560-N563 PolarHBondContact O-OD1 3.17Å |
| 561 | I | 88.3 | Confident | 89.3 | Confident | 49 Ų | 49 | 32.6 Ų | 32.6 | 25% | 0.251 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 102.8 | 177 | -57.7 | 176.4 | 0 | 0 | 0 | 107.4 | P504 A533 L622 | P504-I561 HydrophobicContact CB-CD1 3.89Å; P504-I561 HydrophobicContact CG-CD1 4.17Å; A533-I561 HydrophobicContact CB-CB 4.18Å; A533-I561 HydrophobicContact CB-CG1 4.32Å; A533-I561 PolarHBondContact N-O 2.87Å; A533-I561 CarbonylContact O-C 3.17Å; A533-I561 PolarHBondContact O-N 2.7Å; I561-L622 VanDerWaalsContact O-CD1 3.31Å; I561-L622 WeakPolarHBondContact O-CD1 3.27Å |
| 562 | P | 90.7 | Very high | 88.8 | Confident | 69 Ų | 69 | 31.2 Ų | 31.2 | 45% | 0.448 | 17% | 0.166 | S | C | . | . | S | Bend | cis | -67.4 | 162.7 | 2.9 | -19.8 | 33.6 | 0 | 0 | 0 | 114.7 | G560 N620 | G560-P562 VanDerWaalsContact C-C 3.43Å; G560-P562 CarbonylContact C-O 3.44Å; G560-P562 CarbonylContact O-C 3.49Å; P562-N620 PolarHBondContact O-ND2 2.78Å |
| 563 | N | 88 | Confident | 88.6 | Confident | 95 Ų | 95 | 33.8 Ų | 33.8 | 51% | 0.508 | 18% | 0.179 | S | C | . | . | P | Polyproline II helix | trans | -53.4 | 136.7 | 178.1 | -73.5 | -24.1 | 0 | 0 | 0 | 111.5 | G560 P596 | G560-N563 WeakPolarHBondContact O-CA 3.46Å; G560-N563 PolarHBondContact O-N 2.86Å; G560-N563 PolarHBondContact O-OD1 3.17Å; N563-P596 HydrophobicContact CB-CB 4.1Å |
| 564 | P | 89.7 | Confident | 88.7 | Confident | 7 Ų | 7 | 30.1 Ų | 30.1 | 5% | 0.045 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -79.1 | 153.5 | -176.3 | 31.4 | -34 | 0 | 0 | 0 | 112.9 | P535 A558 A618 W619 | P535-P564 HydrophobicContact CB-CB 4.02Å; P535-P564 HydrophobicContact CG-CB 3.99Å; A558-P564 HydrophobicContact CB-CG 4.1Å; A558-P564 VanDerWaalsContact O-CG 3.29Å; A558-P564 WeakPolarHBondContact O-CG 3.22Å; P564-A618 HydrophobicContact CB-CB 4.15Å; P564-W619 CarbonylContact C-O 3.58Å; P564-W619 VanDerWaalsContact CA-O 3.26Å; P564-W619 WeakPolarHBondContact CA-O 3.25Å |
| 565 | T | 89.3 | Confident | 88.7 | Confident | 61 Ų | 61 | 29.9 Ų | 29.9 | 37% | 0.374 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 142.8 | 166 | -61.1 | 0 | 0 | 0 | 0 | 109.7 | A618 W619 | T565-A618 WeakPolarHBondContact O-CA 3.4Å; T565-W619 PolarHBondContact N-O 2.92Å; T565-W619 PolarHBondContact O-N 2.96Å |
| 566 | H | 90.2 | Very high | 88.8 | Confident | 11 Ų | 11 | 31.9 Ų | 31.9 | 5% | 0.051 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 130.3 | -177.1 | -63.4 | 77.3 | 0 | 0 | 0 | 111.9 | R593 P596 T597 L617 | H566-R593 PolarHBondContact O-NH2 2.85Å; H566-P596 PolarHBondContact CE1-O 3.01Å; H566-T597 PolarHBondContact CE1-O 2.76Å; H566-T597 PolarHBondContact NE2-O 2.86Å; H566-L617 WeakPolarHBondContact CA-O 3.36Å |
| 567 | E | 91 | Very high | 89 | Confident | 32 Ų | 32 | 37 Ų | 37 | 15% | 0.15 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 138.7 | 172.2 | -71.6 | -175.6 | 176.3 | 0 | 0 | 111.2 | Y569 L617 | E567-Y569 HydrophobicContact CB-CD2 4.42Å; E567-Y569 HydrophobicContact CB-CE2 3.68Å; E567-Y569 PolarHBondContact OE2-OH 3.12Å; E567-L617 PolarHBondContact N-O 3.1Å; E567-L617 PolarHBondContact O-N 2.97Å |
| 568 | W | 94.6 | Very high | 89.2 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 1% | 0.011 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 131.8 | 179.9 | -76.1 | 96.7 | 0 | 0 | 0 | 110.6 | L541 L554 C556 T574 V575 I591 S599 L601 C616 | L541-W568 HydrophobicContact CD1-CH2 4.17Å; L541-W568 HydrophobicContact CD1-CZ3 3.73Å; L541-W568 HydrophobicContact CD2-CH2 3.59Å; L541-W568 HydrophobicContact CD2-CZ3 4Å; L541-W568 HydrophobicContact CG-CH2 4.49Å; L554-W568 HydrophobicContact CB-CH2 3.56Å; L554-W568 HydrophobicContact CB-CZ3 3.81Å; L554-W568 HydrophobicContact CD1-CZ3 4.18Å; L554-W568 WeakPolarHBondContact O-CH2 3.29Å; L554-W568 WeakPolarHBondContact O-CZ2 3.33Å; C556-W568 HydrophobicContact CB-CH2 3.98Å; C556-W568 HydrophobicContact CB-CZ2 3.76Å; W568-T574 CarbonylContact O-C 3.43Å; W568-T574 VanDerWaalsContact O-CA 3.29Å; W568-T574 WeakPolarHBondContact O-CA 3.32Å; W568-V575 HydrophobicContact CB-CB 4.18Å; W568-V575 HydrophobicContact CB-CG2 3.9Å; W568-V575 PolarHBondContact O-N 3.1Å; W568-I591 HydrophobicContact CB-CD1 4.3Å; W568-I591 HydrophobicContact CG-CD1 4.47Å; W568-S599 WeakPolarHBondContact CZ2-O 3.03Å; W568-S599 PolarHBondContact NE1-OG 3.22Å; W568-L601 HydrophobicContact CD2-CB 3.67Å; W568-L601 HydrophobicContact CD2-CD2 4.25Å; W568-L601 HydrophobicContact CE3-CB 3.8Å; W568-L601 HydrophobicContact CE3-CD2 3.87Å; W568-L601 HydrophobicContact CE3-CG 4.49Å; W568-L601 HydrophobicContact CG-CB 4.23Å; W568-L601 HydrophobicContact CH2-CB 3.92Å; W568-L601 HydrophobicContact CZ2-CB 3.84Å; W568-L601 HydrophobicContact CZ3-CB 3.92Å; W568-L601 HydrophobicContact CZ3-CD2 4.33Å; W568-C616 HydrophobicContact CD2-CB 4.42Å; W568-C616 HydrophobicContact CE3-CB 4.18Å; W568-C616 HydrophobicContact CH2-CB 4.1Å; W568-C616 HydrophobicContact CZ2-CB 4.3Å; W568-C616 HydrophobicContact CZ3-CB 4.02Å |
| 569 | Y | 93.7 | Very high | 89.4 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 143 | -179.8 | -68.4 | -95.6 | 0 | 0 | 0 | 110.7 | L312 E567 I573 T574 F614 T615 L617 | L312-Y569 HydrophobicContact CD1-CD1 3.62Å; L312-Y569 HydrophobicContact CD1-CD2 4.09Å; L312-Y569 HydrophobicContact CD1-CE1 3.95Å; L312-Y569 HydrophobicContact CD1-CE2 4.4Å; L312-Y569 HydrophobicContact CD1-CG 3.7Å; E567-Y569 HydrophobicContact CB-CD2 4.42Å; E567-Y569 HydrophobicContact CB-CE2 3.68Å; E567-Y569 PolarHBondContact OE2-OH 3.12Å; Y569-I573 WeakPolarHBondContact CA-O 3.47Å; Y569-T574 HydrophobicContact CD1-CG2 3.89Å; Y569-T574 HydrophobicContact CE1-CG2 3.31Å; Y569-T574 HydrophobicContact CE2-CG2 4.33Å; Y569-F614 CarbonylContact O-C 3.55Å; Y569-F614 VanDerWaalsContact O-CA 3.31Å; Y569-F614 WeakPolarHBondContact O-CA 3.16Å; Y569-T615 PolarHBondContact N-O 3.49Å; Y569-T615 PolarHBondContact O-N 2.83Å; Y569-L617 HydrophobicContact CD2-CB 4.23Å; Y569-L617 HydrophobicContact CE2-CB 3.89Å; Y569-L617 HydrophobicContact CE2-CD2 3.98Å |
| 570 | R | 94 | Very high | 89.4 | Confident | 32 Ų | 32 | 41.2 Ų | 41.2 | 12% | 0.121 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 112 | 168.4 | -178.4 | -178.7 | -177.4 | 178.1 | -0 | 107.9 | D572 I573 V575 L578 L584 Y589 S609 F614 | R570-D572 PolarHBondContact O-N 2.84Å; R570-I573 PolarHBondContact N-O 2.8Å; R570-I573 PolarHBondContact O-N 2.93Å; R570-V575 HydrophobicContact CB-CG2 4.35Å; R570-L578 HydrophobicContact CB-CD1 3.93Å; R570-L584 VanDerWaalsContact NH1-CD2 3.33Å; R570-Y589 PolarHBondContact NH1-OH 2.77Å; R570-S609 PolarHBondContact NH2-O 2.03Å; R570-F614 HydrophobicContact CB-CD1 4.17Å; R570-F614 HydrophobicContact CB-CE1 4Å; R570-F614 HydrophobicContact CG-CD1 4.36Å; R570-F614 HydrophobicContact CG-CE1 3.88Å; R570-F614 HydrophobicContact CG-CZ 4.12Å |
| 571 | N | 84.8 | Confident | 89.6 | Confident | 63 Ų | 63 | 45.2 Ų | 45.2 | 34% | 0.337 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 57.6 | -176.6 | -58.5 | -33 | 0 | 0 | 0 | 112.8 | G309 S310 I573 M613 | G309-N571 WeakPolarHBondContact CA-OD1 3.45Å; S310-N571 PolarHBondContact N-OD1 2.63Å; S310-N571 VanDerWaalsContact OG-CA 3.28Å; S310-N571 WeakPolarHBondContact OG-CA 3.43Å; N571-I573 PolarHBondContact O-N 2.69Å; N571-I573 VanDerWaalsContact O-N 3.1Å; N571-M613 PolarHBondContact N-O 2.99Å |
| 572 | D | 80.3 | Confident | 89.6 | Confident | 30 Ų | 30 | 46 Ų | 46 | 16% | 0.16 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | -10.1 | 179.7 | -174.7 | 46 | 0 | 0 | 0 | 116.8 | Y246 R266 E303 S310 R570 | Y246-D572 PolarHBondContact OH-OD2 2.93Å; R266-D572 IonicContact CZ-OD1 3.97Å; R266-D572 IonicContact NH1-OD1 3.24Å; R266-D572 PolarHBondContact NH1-OD1 3.12Å; R266-D572 PolarHBondContact NH2-O 3.11Å; R266-D572 IonicContact NH2-OD1 3.31Å; R266-D572 PolarHBondContact NH2-OD1 2.63Å; E303-D572 WeakPolarHBondContact OE1-CB 3.4Å; S310-D572 PolarHBondContact OG-N 3.36Å; R570-D572 PolarHBondContact O-N 2.84Å |
| 573 | I | 88.4 | Confident | 89.6 | Confident | 57 Ų | 57 | 49.9 Ų | 49.9 | 29% | 0.292 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 137.8 | 176.5 | -52 | 176.4 | 0 | 0 | 0 | 109.9 | Y569 R570 N571 V575 Q577 L578 | Y569-I573 WeakPolarHBondContact CA-O 3.47Å; R570-I573 PolarHBondContact N-O 2.8Å; R570-I573 PolarHBondContact O-N 2.93Å; N571-I573 PolarHBondContact O-N 2.69Å; N571-I573 VanDerWaalsContact O-N 3.1Å; I573-V575 PolarHBondContact O-N 2.68Å; I573-Q577 HydrophobicContact CG2-CB 4.19Å; I573-Q577 HydrophobicContact CG2-CG 4.19Å; I573-L578 HydrophobicContact CB-CD1 4.31Å; I573-L578 HydrophobicContact CB-CD2 4.06Å; I573-L578 HydrophobicContact CB-CG 4.09Å; I573-L578 HydrophobicContact CD1-CD2 4.22Å; I573-L578 HydrophobicContact CG2-CD1 4.47Å; I573-L578 HydrophobicContact CG2-CD2 3.73Å; I573-L578 HydrophobicContact CG2-CG 3.73Å |
| 574 | T | 90.2 | Very high | 89.7 | Confident | 29 Ų | 29 | 46.1 Ų | 46.1 | 18% | 0.178 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 139.3 | 177.3 | 65.7 | 0 | 0 | 0 | 0 | 110.8 | W568 Y569 S576 Q577 L578 | W568-T574 CarbonylContact O-C 3.43Å; W568-T574 VanDerWaalsContact O-CA 3.29Å; W568-T574 WeakPolarHBondContact O-CA 3.32Å; Y569-T574 HydrophobicContact CD1-CG2 3.89Å; Y569-T574 HydrophobicContact CE1-CG2 3.31Å; Y569-T574 HydrophobicContact CE2-CG2 4.33Å; T574-S576 PolarHBondContact O-N 3.37Å; T574-Q577 PolarHBondContact O-N 3.05Å; T574-Q577 VanDerWaalsContact O-N 3.09Å; T574-Q577 WeakPolarHBondContact OG1-CB 3.1Å; T574-Q577 PolarHBondContact OG1-N 3.37Å; T574-Q577 VanDerWaalsContact OG1-N 3.14Å; T574-L578 WeakPolarHBondContact O-CG 3.27Å; T574-L578 PolarHBondContact O-N 2.88Å |
| 575 | V | 91.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.5 | -40 | 176 | 172 | 0 | 0 | 0 | 0 | 110.3 | W568 R570 I573 Q577 L578 I579 L584 I591 L601 | W568-V575 HydrophobicContact CB-CB 4.18Å; W568-V575 HydrophobicContact CB-CG2 3.9Å; W568-V575 PolarHBondContact O-N 3.1Å; R570-V575 HydrophobicContact CB-CG2 4.35Å; I573-V575 PolarHBondContact O-N 2.68Å; V575-Q577 PolarHBondContact O-N 3.19Å; V575-L578 PolarHBondContact O-N 3.16Å; V575-I579 HydrophobicContact CG1-CD1 3.89Å; V575-I579 HydrophobicContact CG1-CG1 4.42Å; V575-I579 WeakPolarHBondContact O-CG1 3.21Å; V575-I579 PolarHBondContact O-N 3.3Å; V575-L584 HydrophobicContact CG1-CD1 4.17Å; V575-I591 HydrophobicContact CG1-CD1 4.4Å; V575-L601 HydrophobicContact CG1-CD1 4.1Å; V575-L601 HydrophobicContact CG2-CD2 4.14Å |
| 576 | S | 88.4 | Confident | 89.8 | Confident | 71 Ų | 71 | 50.2 Ų | 50.2 | 50% | 0.497 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.8 | -43 | 175.5 | -54.8 | 0 | 0 | 0 | 0 | 112.6 | T574 I579 A580 | T574-S576 PolarHBondContact O-N 3.37Å; S576-I579 PolarHBondContact O-N 2.81Å; S576-A580 WeakPolarHBondContact O-CB 3.4Å; S576-A580 PolarHBondContact O-N 2.85Å |
| 577 | Q | 87.6 | Confident | 89.7 | Confident | 106 Ų | 106 | 54.2 Ų | 54.2 | 50% | 0.495 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.7 | -38 | 176.1 | -177.4 | 179.6 | 7.2 | 0 | 0 | 112 | I573 T574 V575 I579 A580 T581 | I573-Q577 HydrophobicContact CG2-CB 4.19Å; I573-Q577 HydrophobicContact CG2-CG 4.19Å; T574-Q577 PolarHBondContact O-N 3.05Å; T574-Q577 VanDerWaalsContact O-N 3.09Å; T574-Q577 WeakPolarHBondContact OG1-CB 3.1Å; T574-Q577 PolarHBondContact OG1-N 3.37Å; T574-Q577 VanDerWaalsContact OG1-N 3.14Å; V575-Q577 PolarHBondContact O-N 3.19Å; Q577-I579 VanDerWaalsContact C-N 3.31Å; Q577-I579 PolarHBondContact O-N 3.19Å; Q577-A580 PolarHBondContact O-N 3.11Å; Q577-T581 HydrophobicContact CG-CG2 4.4Å; Q577-T581 WeakPolarHBondContact O-CB 3.49Å; Q577-T581 WeakPolarHBondContact O-CG2 3.02Å; Q577-T581 PolarHBondContact O-N 3.24Å; Q577-T581 PolarHBondContact O-OG1 3.3Å |
| 578 | L | 91.3 | Very high | 89.9 | Confident | 14 Ų | 14 | 53.8 Ų | 53.8 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.5 | -35.7 | 175.9 | -67.7 | 172.9 | 0 | 0 | 0 | 112.2 | R570 I573 T574 V575 T581 G582 K583 L584 | R570-L578 HydrophobicContact CB-CD1 3.93Å; I573-L578 HydrophobicContact CB-CD1 4.31Å; I573-L578 HydrophobicContact CB-CD2 4.06Å; I573-L578 HydrophobicContact CB-CG 4.09Å; I573-L578 HydrophobicContact CD1-CD2 4.22Å; I573-L578 HydrophobicContact CG2-CD1 4.47Å; I573-L578 HydrophobicContact CG2-CD2 3.73Å; I573-L578 HydrophobicContact CG2-CG 3.73Å; T574-L578 WeakPolarHBondContact O-CG 3.27Å; T574-L578 PolarHBondContact O-N 2.88Å; V575-L578 PolarHBondContact O-N 3.16Å; L578-T581 WeakPolarHBondContact CA-OG1 3.02Å; L578-T581 PolarHBondContact O-OG1 2.83Å; L578-G582 PolarHBondContact O-N 2.79Å; L578-K583 HydrophobicContact CB-CB 4.39Å; L578-K583 HydrophobicContact CD2-CB 4.03Å; L578-K583 HydrophobicContact CD2-CD 3.76Å; L578-K583 WeakPolarHBondContact O-CA 3.38Å; L578-K583 PolarHBondContact O-N 2.86Å; L578-L584 HydrophobicContact CB-CB 4.32Å; L578-L584 HydrophobicContact CB-CD1 3.62Å; L578-L584 HydrophobicContact CB-CG 3.71Å; L578-L584 HydrophobicContact CD1-CD1 3.78Å; L578-L584 HydrophobicContact CD1-CG 4.3Å; L578-L584 HydrophobicContact CG-CD1 4.37Å; L578-L584 PolarHBondContact O-N 3.27Å |
| 579 | I | 90.5 | Very high | 89.9 | Confident | 45 Ų | 45 | 53.8 Ų | 53.8 | 23% | 0.231 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.1 | -48.9 | 171.7 | -68.7 | 168.4 | 0 | 0 | 0 | 110.4 | V575 S576 Q577 T581 G582 L584 P586 | V575-I579 HydrophobicContact CG1-CD1 3.89Å; V575-I579 HydrophobicContact CG1-CG1 4.42Å; V575-I579 WeakPolarHBondContact O-CG1 3.21Å; V575-I579 PolarHBondContact O-N 3.3Å; S576-I579 PolarHBondContact O-N 2.81Å; Q577-I579 VanDerWaalsContact C-N 3.31Å; Q577-I579 PolarHBondContact O-N 3.19Å; I579-T581 VanDerWaalsContact C-N 3.26Å; I579-T581 PolarHBondContact O-N 3.11Å; I579-G582 PolarHBondContact O-N 2.82Å; I579-L584 HydrophobicContact CG1-CB 3.95Å; I579-P586 HydrophobicContact CG2-CB 3.79Å; I579-P586 HydrophobicContact CG2-CG 4.41Å |
| 580 | A | 87.2 | Confident | 89.8 | Confident | 89 Ų | 89 | 55.8 Ų | 55.8 | 74% | 0.736 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62 | -32.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S576 Q577 G582 | S576-A580 WeakPolarHBondContact O-CB 3.4Å; S576-A580 PolarHBondContact O-N 2.85Å; Q577-A580 PolarHBondContact O-N 3.11Å; A580-G582 VanDerWaalsContact C-N 3.29Å |
| 581 | T | 91.2 | Very high | 89.7 | Confident | 84 Ų | 84 | 56.8 Ų | 56.8 | 52% | 0.515 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 1.4 | 175.9 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | Q577 L578 I579 K583 | Q577-T581 HydrophobicContact CG-CG2 4.4Å; Q577-T581 WeakPolarHBondContact O-CB 3.49Å; Q577-T581 WeakPolarHBondContact O-CG2 3.02Å; Q577-T581 PolarHBondContact O-N 3.24Å; Q577-T581 PolarHBondContact O-OG1 3.3Å; L578-T581 WeakPolarHBondContact CA-OG1 3.02Å; L578-T581 PolarHBondContact O-OG1 2.83Å; I579-T581 VanDerWaalsContact C-N 3.26Å; I579-T581 PolarHBondContact O-N 3.11Å; T581-K583 PolarHBondContact O-N 3.08Å |
| 582 | G | 89 | Confident | 89.9 | Confident | 64 Ų | 64 | 57.4 Ų | 57.4 | 66% | 0.66 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | 8.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L578 I579 A580 | L578-G582 PolarHBondContact O-N 2.79Å; I579-G582 PolarHBondContact O-N 2.82Å; A580-G582 VanDerWaalsContact C-N 3.29Å |
| 583 | K | 90.2 | Very high | 90.1 | Very high | 152 Ų | 152 | 63.8 Ų | 63.8 | 66% | 0.661 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -74.6 | -26.4 | 176.4 | -70.6 | -174.4 | 176.5 | -179.1 | 0 | 112.8 | L578 T581 | L578-K583 HydrophobicContact CB-CB 4.39Å; L578-K583 HydrophobicContact CD2-CB 4.03Å; L578-K583 HydrophobicContact CD2-CD 3.76Å; L578-K583 WeakPolarHBondContact O-CA 3.38Å; L578-K583 PolarHBondContact O-N 2.86Å; T581-K583 PolarHBondContact O-N 3.08Å |
| 584 | L | 91.6 | Very high | 89.5 | Confident | 15 Ų | 15 | 65.5 Ų | 65.5 | 8% | 0.079 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -120.3 | 143.5 | 171.5 | -64.5 | 178.8 | 0 | 0 | 0 | 110.5 | R570 V575 L578 I579 Y589 | R570-L584 VanDerWaalsContact NH1-CD2 3.33Å; V575-L584 HydrophobicContact CG1-CD1 4.17Å; L578-L584 HydrophobicContact CB-CB 4.32Å; L578-L584 HydrophobicContact CB-CD1 3.62Å; L578-L584 HydrophobicContact CB-CG 3.71Å; L578-L584 HydrophobicContact CD1-CD1 3.78Å; L578-L584 HydrophobicContact CD1-CG 4.3Å; L578-L584 HydrophobicContact CG-CD1 4.37Å; L578-L584 PolarHBondContact O-N 3.27Å; I579-L584 HydrophobicContact CG1-CB 3.95Å; L584-Y589 HydrophobicContact CB-CD2 3.98Å; L584-Y589 HydrophobicContact CB-CE2 4.46Å; L584-Y589 HydrophobicContact CB-CG 4.32Å; L584-Y589 HydrophobicContact CD1-CD1 4.09Å; L584-Y589 HydrophobicContact CD1-CD2 4.34Å; L584-Y589 HydrophobicContact CD1-CE1 4.32Å; L584-Y589 HydrophobicContact CD1-CG 4.1Å; L584-Y589 HydrophobicContact CD2-CD2 4.03Å; L584-Y589 HydrophobicContact CD2-CE1 4.4Å; L584-Y589 HydrophobicContact CD2-CE2 3.65Å; L584-Y589 HydrophobicContact CG-CD2 4.32Å; L584-Y589 HydrophobicContact CG-CE2 4.42Å |
| 585 | N | 90.4 | Very high | 88.9 | Confident | 78 Ų | 78 | 66.7 Ų | 66.7 | 42% | 0.417 | 39% | 0.389 | S | S | . | . | trans | -79.9 | 121.4 | 177.3 | -179.3 | -8.5 | 0 | 0 | 0 | 110.1 | T587 Q588 Y589 | N585-T587 PolarHBondContact ND2-OG1 2.77Å; N585-T587 PolarHBondContact O-N 2.84Å; N585-T587 PolarHBondContact OD1-N 2.87Å; N585-T587 PolarHBondContact OD1-OG1 2.71Å; N585-Q588 HydrophobicContact CB-CB 4.03Å; N585-Q588 PolarHBondContact O-N 3.01Å; N585-Y589 PolarHBondContact O-N 2.79Å | ||
| 586 | P | 89.7 | Confident | 88.3 | Confident | 77 Ų | 77 | 70.1 Ų | 70.1 | 50% | 0.5 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -21.5 | 180 | 24.8 | -34.4 | 0 | 0 | 0 | 114.1 | I579 Q588 T590 | I579-P586 HydrophobicContact CG2-CB 3.79Å; I579-P586 HydrophobicContact CG2-CG 4.41Å; P586-Q588 VanDerWaalsContact C-N 3.34Å; P586-T590 WeakPolarHBondContact O-CG2 3.45Å |
| 587 | T | 89.1 | Confident | 87.8 | Confident | 95 Ų | 95 | 69 Ų | 69 | 58% | 0.583 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -19.5 | 174.4 | 60 | 0 | 0 | 0 | 0 | 112.6 | N585 Q604 | N585-T587 PolarHBondContact ND2-OG1 2.77Å; N585-T587 PolarHBondContact O-N 2.84Å; N585-T587 PolarHBondContact OD1-N 2.87Å; N585-T587 PolarHBondContact OD1-OG1 2.71Å; T587-Q604 PolarHBondContact O-OE1 3.01Å; T587-Q604 VanDerWaalsContact O-OE1 3.11Å |
| 588 | Q | 93.5 | Very high | 87.7 | Confident | 23 Ų | 23 | 66.9 Ų | 66.9 | 11% | 0.107 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -42.7 | 179.1 | -164.2 | -171.9 | 4.1 | 0 | 0 | 111.1 | N585 P586 I603 Q604 K605 D610 | N585-Q588 HydrophobicContact CB-CB 4.03Å; N585-Q588 PolarHBondContact O-N 3.01Å; P586-Q588 VanDerWaalsContact C-N 3.34Å; Q588-I603 HydrophobicContact CG-CG2 4.47Å; Q588-I603 CarbonylContact O-C 3.55Å; Q588-I603 VanDerWaalsContact O-CA 3.32Å; Q588-I603 WeakPolarHBondContact O-CA 3.27Å; Q588-Q604 WeakPolarHBondContact CG-O 3.45Å; Q588-Q604 PolarHBondContact NE2-O 3.47Å; Q588-Q604 PolarHBondContact O-N 3.33Å; Q588-K605 PolarHBondContact NE2-O 2.99Å; Q588-D610 PolarHBondContact NE2-OD2 3.39Å |
| 589 | Y | 94.6 | Very high | 87.6 | Confident | 3 Ų | 3 | 66.2 Ų | 66.2 | 1% | 0.012 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 110.8 | -179.3 | -71 | -96.1 | 0 | 0 | 0 | 110 | R570 L584 N585 L601 R602 I603 D610 F614 | R570-Y589 PolarHBondContact NH1-OH 2.77Å; L584-Y589 HydrophobicContact CB-CD2 3.98Å; L584-Y589 HydrophobicContact CB-CE2 4.46Å; L584-Y589 HydrophobicContact CB-CG 4.32Å; L584-Y589 HydrophobicContact CD1-CD1 4.09Å; L584-Y589 HydrophobicContact CD1-CD2 4.34Å; L584-Y589 HydrophobicContact CD1-CE1 4.32Å; L584-Y589 HydrophobicContact CD1-CG 4.1Å; L584-Y589 HydrophobicContact CD2-CD2 4.03Å; L584-Y589 HydrophobicContact CD2-CE1 4.4Å; L584-Y589 HydrophobicContact CD2-CE2 3.65Å; L584-Y589 HydrophobicContact CG-CD2 4.32Å; L584-Y589 HydrophobicContact CG-CE2 4.42Å; N585-Y589 PolarHBondContact O-N 2.79Å; Y589-L601 HydrophobicContact CD1-CD1 4.44Å; Y589-R602 WeakPolarHBondContact CA-O 3.25Å; Y589-I603 HydrophobicContact CD1-CB 4.5Å; Y589-I603 HydrophobicContact CD1-CD1 4.28Å; Y589-I603 HydrophobicContact CD1-CG1 3.84Å; Y589-I603 HydrophobicContact CD1-CG2 4.17Å; Y589-I603 HydrophobicContact CE1-CB 4.28Å; Y589-I603 HydrophobicContact CE1-CD1 3.67Å; Y589-I603 HydrophobicContact CE1-CG1 3.67Å; Y589-I603 HydrophobicContact CE1-CG2 3.68Å; Y589-I603 HydrophobicContact CE2-CG2 4.13Å; Y589-D610 WeakPolarHBondContact OH-CB 3.32Å; Y589-D610 PolarHBondContact OH-OD1 2.93Å; Y589-F614 HydrophobicContact CE1-CE1 4.32Å; Y589-F614 HydrophobicContact CE1-CZ 4.42Å |
| 590 | T | 92.7 | Very high | 87.7 | Confident | 44 Ų | 44 | 64.6 Ų | 64.6 | 27% | 0.27 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 134.5 | -179.9 | 57.8 | 0 | 0 | 0 | 0 | 110.9 | P586 R602 | P586-T590 WeakPolarHBondContact O-CG2 3.45Å; T590-R602 PolarHBondContact N-O 3.08Å; T590-R602 PolarHBondContact O-N 2.68Å; T590-R602 WeakPolarHBondContact OG1-CB 3.4Å |
| 591 | I | 92 | Very high | 88.1 | Confident | 53 Ų | 53 | 60.3 Ų | 60.3 | 27% | 0.272 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 120.8 | 174.7 | -60.9 | 169.1 | 0 | 0 | 0 | 108.3 | W568 V575 R593 T600 L601 | W568-I591 HydrophobicContact CB-CD1 4.3Å; W568-I591 HydrophobicContact CG-CD1 4.47Å; V575-I591 HydrophobicContact CG1-CD1 4.4Å; I591-R593 HydrophobicContact CG2-CG 4.33Å; I591-T600 CarbonylContact C-O 3.58Å; I591-T600 WeakPolarHBondContact CA-O 3.39Å; I591-L601 HydrophobicContact CG1-CD1 4.05Å |
| 592 | I | 88.6 | Confident | 88.2 | Confident | 76 Ų | 76 | 59.7 Ų | 59.7 | 39% | 0.39 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 119.2 | 179 | -55.4 | 168.6 | 0 | 0 | 0 | 107.5 | S599 T600 R602 | I592-S599 CarbonylContact O-C 3.57Å; I592-S599 WeakPolarHBondContact O-CA 3.43Å; I592-T600 PolarHBondContact N-O 3.32Å; I592-T600 PolarHBondContact O-N 3.43Å; I592-R602 HydrophobicContact CD1-CB 4.23Å |
| 593 | R | 84.6 | Confident | 88.5 | Confident | 165 Ų | 165 | 56.6 Ų | 56.6 | 62% | 0.623 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 121.3 | 176.3 | -66.9 | 178.1 | 175.8 | 174.6 | -5.4 | 108.9 | H566 I591 | H566-R593 PolarHBondContact O-NH2 2.85Å; I591-R593 HydrophobicContact CG2-CG 4.33Å |
| 594 | D | 76.5 | Confident | 88.6 | Confident | 93 Ų | 93 | 52.4 Ų | 52.4 | 50% | 0.497 | 28% | 0.282 | S | S | . | . | trans | -119.2 | 79.6 | -174.7 | -176.5 | 18.6 | 0 | 0 | 0 | 109 | R598 | D594-R598 HydrophobicContact CB-CB 4.3Å; D594-R598 HydrophobicContact CB-CG 4.21Å; D594-R598 PolarHBondContact N-O 3.18Å; D594-R598 WeakPolarHBondContact O-CB 3.15Å; D594-R598 IonicContact OD2-NH1 3.69Å; D594-R598 PolarHBondContact OD2-NH1 2.93Å | ||
| 595 | G | 77.4 | Confident | 88.7 | Confident | 53 Ų | 53 | 58.8 Ų | 58.8 | 55% | 0.546 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 78.9 | -173.2 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 596 | P | 77.4 | Confident | 88.8 | Confident | 72 Ų | 72 | 55 Ų | 55 | 47% | 0.468 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -76.7 | -21.6 | -172.1 | 28.5 | -32.9 | 0 | 0 | 0 | 113.7 | N563 H566 | N563-P596 HydrophobicContact CB-CB 4.1Å; H566-P596 PolarHBondContact CE1-O 3.01Å |
| 597 | T | 78.5 | Confident | 89 | Confident | 49 Ų | 49 | 56.7 Ų | 56.7 | 30% | 0.301 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -104.2 | -13.7 | -170.9 | 51.6 | 0 | 0 | 0 | 0 | 114 | E557 A558 H566 | E557-T597 CarbonylContact C-O 3.16Å; E557-T597 WeakPolarHBondContact CA-O 3.19Å; A558-T597 PolarHBondContact N-O 2.94Å; A558-T597 VanDerWaalsContact O-CA 3.28Å; A558-T597 WeakPolarHBondContact O-CA 3.25Å; A558-T597 WeakPolarHBondContact O-CB 3.37Å; A558-T597 WeakPolarHBondContact O-CG2 3.37Å; H566-T597 PolarHBondContact CE1-O 2.76Å; H566-T597 PolarHBondContact NE2-O 2.86Å |
| 598 | R | 85.6 | Confident | 89 | Confident | 61 Ų | 61 | 56.2 Ų | 56.2 | 23% | 0.23 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 128.5 | -171.6 | -176.9 | 177.2 | -151.2 | -126.7 | 1.6 | 112.2 | T555 E557 D594 | T555-R598 HydrophobicContact CG2-CG 4.24Å; E557-R598 HydrophobicContact CG-CB 3.85Å; E557-R598 HydrophobicContact CG-CG 3.68Å; E557-R598 WeakPolarHBondContact OE1-CD 3.21Å; E557-R598 IonicContact OE1-CZ 2.7Å; E557-R598 IonicContact OE1-NE 2.81Å; E557-R598 PolarHBondContact OE1-NE 3.13Å; D594-R598 HydrophobicContact CB-CB 4.3Å; D594-R598 HydrophobicContact CB-CG 4.21Å; D594-R598 PolarHBondContact N-O 3.18Å; D594-R598 WeakPolarHBondContact O-CB 3.15Å; D594-R598 IonicContact OD2-NH1 3.69Å; D594-R598 PolarHBondContact OD2-NH1 2.93Å |
| 599 | S | 90.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 130.6 | 177.6 | -171.6 | 0 | 0 | 0 | 0 | 109.5 | C556 W568 I592 | C556-S599 PolarHBondContact N-O 2.96Å; C556-S599 PolarHBondContact O-N 3.19Å; C556-S599 VanDerWaalsContact O-O 3.08Å; W568-S599 WeakPolarHBondContact CZ2-O 3.03Å; W568-S599 PolarHBondContact NE1-OG 3.22Å; I592-S599 CarbonylContact O-C 3.57Å; I592-S599 WeakPolarHBondContact O-CA 3.43Å |
| 600 | T | 91.7 | Very high | 88.8 | Confident | 10 Ų | 10 | 59.2 Ų | 59.2 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 125.1 | -179.6 | -61 | 0 | 0 | 0 | 0 | 110.7 | F553 L554 T555 I591 I592 | F553-T600 HydrophobicContact CB-CG2 4.14Å; F553-T600 HydrophobicContact CD1-CG2 4.23Å; L554-T600 CarbonylContact O-C 3.53Å; L554-T600 VanDerWaalsContact O-CA 3.25Å; L554-T600 WeakPolarHBondContact O-CA 3.43Å; T555-T600 WeakPolarHBondContact OG1-CG2 3.31Å; T555-T600 PolarHBondContact OG1-OG1 2.88Å; I591-T600 CarbonylContact C-O 3.58Å; I591-T600 WeakPolarHBondContact CA-O 3.39Å; I592-T600 PolarHBondContact N-O 3.32Å; I592-T600 PolarHBondContact O-N 3.43Å |
| 601 | L | 94.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 112.1 | 167.8 | 176.3 | 62.8 | 0 | 0 | 0 | 108.9 | L554 W568 V575 Y589 I591 I603 F614 | L554-L601 HydrophobicContact CB-CB 4.34Å; L554-L601 HydrophobicContact CD1-CD2 4.4Å; L554-L601 PolarHBondContact N-O 3.01Å; L554-L601 PolarHBondContact O-N 2.92Å; W568-L601 HydrophobicContact CD2-CB 3.67Å; W568-L601 HydrophobicContact CD2-CD2 4.25Å; W568-L601 HydrophobicContact CE3-CB 3.8Å; W568-L601 HydrophobicContact CE3-CD2 3.87Å; W568-L601 HydrophobicContact CE3-CG 4.49Å; W568-L601 HydrophobicContact CG-CB 4.23Å; W568-L601 HydrophobicContact CH2-CB 3.92Å; W568-L601 HydrophobicContact CZ2-CB 3.84Å; W568-L601 HydrophobicContact CZ3-CB 3.92Å; W568-L601 HydrophobicContact CZ3-CD2 4.33Å; V575-L601 HydrophobicContact CG1-CD1 4.1Å; V575-L601 HydrophobicContact CG2-CD2 4.14Å; Y589-L601 HydrophobicContact CD1-CD1 4.44Å; I591-L601 HydrophobicContact CG1-CD1 4.05Å; L601-I603 HydrophobicContact CG-CG1 4.34Å; L601-F614 HydrophobicContact CD2-CD1 3.56Å; L601-F614 HydrophobicContact CD2-CE1 3.84Å |
| 602 | R | 94.6 | Very high | 88.8 | Confident | 70 Ų | 70 | 56.9 Ų | 56.9 | 26% | 0.264 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 130.7 | 173.4 | 178.5 | -173.5 | -169.2 | 178.8 | 4.2 | 110 | D551 V552 F553 Y589 T590 I592 Q604 | D551-R602 IonicContact OD2-CZ 3.62Å; D551-R602 IonicContact OD2-NE 3.5Å; D551-R602 IonicContact OD2-NH2 2.94Å; D551-R602 PolarHBondContact OD2-NH2 3.43Å; V552-R602 CarbonylContact O-C 3.55Å; V552-R602 WeakPolarHBondContact O-CA 3.43Å; F553-R602 HydrophobicContact CD1-CB 4.06Å; F553-R602 HydrophobicContact CD1-CG 3.95Å; F553-R602 HydrophobicContact CE1-CB 4.13Å; F553-R602 HydrophobicContact CE1-CG 3.6Å; F553-R602 HydrophobicContact CZ-CG 4.13Å; Y589-R602 WeakPolarHBondContact CA-O 3.25Å; T590-R602 PolarHBondContact N-O 3.08Å; T590-R602 PolarHBondContact O-N 2.68Å; T590-R602 WeakPolarHBondContact OG1-CB 3.4Å; I592-R602 HydrophobicContact CD1-CB 4.23Å; R602-Q604 HydrophobicContact CG-CG 4.16Å |
| 603 | I | 95.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 109.3 | 173.2 | -45 | 174.4 | 0 | 0 | 0 | 107.7 | D551 V552 Q588 Y589 L601 V606 F614 | D551-I603 WeakPolarHBondContact CA-O 3.3Å; V552-I603 HydrophobicContact CB-CB 4.29Å; V552-I603 PolarHBondContact N-O 2.83Å; V552-I603 PolarHBondContact O-N 2.88Å; Q588-I603 HydrophobicContact CG-CG2 4.47Å; Q588-I603 CarbonylContact O-C 3.55Å; Q588-I603 VanDerWaalsContact O-CA 3.32Å; Q588-I603 WeakPolarHBondContact O-CA 3.27Å; Y589-I603 HydrophobicContact CD1-CB 4.5Å; Y589-I603 HydrophobicContact CD1-CD1 4.28Å; Y589-I603 HydrophobicContact CD1-CG1 3.84Å; Y589-I603 HydrophobicContact CD1-CG2 4.17Å; Y589-I603 HydrophobicContact CE1-CB 4.28Å; Y589-I603 HydrophobicContact CE1-CD1 3.67Å; Y589-I603 HydrophobicContact CE1-CG1 3.67Å; Y589-I603 HydrophobicContact CE1-CG2 3.68Å; Y589-I603 HydrophobicContact CE2-CG2 4.13Å; L601-I603 HydrophobicContact CG-CG1 4.34Å; I603-V606 HydrophobicContact CB-CG1 4.08Å; I603-V606 HydrophobicContact CG2-CG1 3.82Å; I603-F614 HydrophobicContact CD1-CE1 4.06Å; I603-F614 HydrophobicContact CD1-CE2 4.35Å; I603-F614 HydrophobicContact CD1-CZ 3.76Å |
| 604 | Q | 92.7 | Very high | 89.6 | Confident | 63 Ų | 63 | 45.6 Ų | 45.6 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | trans | -84.6 | 144.1 | -179.3 | -61.7 | -165.9 | -79.6 | 0 | 0 | 111.9 | D551 T587 Q588 R602 V606 | D551-Q604 VanDerWaalsContact OD1-CA 3.25Å; D551-Q604 WeakPolarHBondContact OD1-CA 3.44Å; T587-Q604 PolarHBondContact O-OE1 3.01Å; T587-Q604 VanDerWaalsContact O-OE1 3.11Å; Q588-Q604 WeakPolarHBondContact CG-O 3.45Å; Q588-Q604 PolarHBondContact NE2-O 3.47Å; Q588-Q604 PolarHBondContact O-N 3.33Å; R602-Q604 HydrophobicContact CG-CG 4.16Å; Q604-V606 PolarHBondContact O-N 3.42Å | ||
| 605 | K | 92.1 | Very high | 90.5 | Very high | 149 Ų | 149 | 41.2 Ų | 41.2 | 65% | 0.648 | 23% | 0.225 | S | C | * | . | S | Bend | trans | 44.6 | 63 | 174.6 | -60 | -177.3 | 179.4 | -178.5 | 0 | 112.4 | S550 D551 Q588 | S550-K605 CarbonylContact O-C 3.52Å; S550-K605 VanDerWaalsContact O-CA 3.32Å; S550-K605 WeakPolarHBondContact O-CA 3.38Å; S550-K605 PolarHBondContact O-N 3.47Å; D551-K605 PolarHBondContact OD1-N 3.16Å; Q588-K605 PolarHBondContact NE2-O 2.99Å |
| 606 | V | 93.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -58 | 143.8 | -173.9 | -63.9 | 0 | 0 | 0 | 0 | 112.3 | V546 D547 I548 N549 S550 V552 I603 Q604 D610 V633 | V546-V606 HydrophobicContact CG2-CG2 4.07Å; D547-V606 WeakPolarHBondContact O-CG2 3.2Å; I548-V606 WeakPolarHBondContact CG1-O 3.38Å; N549-V606 PolarHBondContact N-O 3.31Å; S550-V606 WeakPolarHBondContact O-CG2 3.44Å; S550-V606 PolarHBondContact O-N 3.4Å; V552-V606 HydrophobicContact CB-CG1 4.12Å; V552-V606 HydrophobicContact CG2-CG1 3.58Å; I603-V606 HydrophobicContact CB-CG1 4.08Å; I603-V606 HydrophobicContact CG2-CG1 3.82Å; Q604-V606 PolarHBondContact O-N 3.42Å; V606-D610 WeakPolarHBondContact CA-OD2 3.41Å; V606-V633 HydrophobicContact CB-CG1 4.48Å; V606-V633 HydrophobicContact CB-CG2 3.97Å; V606-V633 HydrophobicContact CG2-CG1 3.88Å; V606-V633 HydrophobicContact CG2-CG2 3.96Å | ||
| 607 | K | 92.7 | Very high | 92.1 | Very high | 111 Ų | 111 | 35.3 Ų | 35.3 | 48% | 0.483 | 18% | 0.177 | S | C | . | . | trans | -113.7 | 162.9 | 176.1 | -56.7 | 175.8 | -172.2 | 171.5 | 0 | 109.6 | S609 D610 V633 | K607-S609 PolarHBondContact O-N 2.97Å; K607-S609 VanDerWaalsContact O-N 3.13Å; K607-D610 PolarHBondContact N-OD2 3.32Å; K607-D610 VanDerWaalsContact O-CB 3.29Å; K607-D610 WeakPolarHBondContact O-CB 3.42Å; K607-D610 PolarHBondContact O-N 3.13Å; K607-V633 WeakPolarHBondContact O-CG2 3.3Å | ||
| 608 | L | 90.7 | Very high | 92.8 | Very high | 86 Ų | 86 | 33 Ų | 33 | 45% | 0.45 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -52.8 | -37.5 | 174.9 | -69.7 | 175.5 | 0 | 0 | 0 | 112.8 | I548 D610 S611 V633 E635 | I548-L608 HydrophobicContact CD1-CG 4.36Å; L608-D610 PolarHBondContact O-N 2.86Å; L608-S611 WeakPolarHBondContact O-CB 3.41Å; L608-S611 PolarHBondContact O-N 2.9Å; L608-S611 PolarHBondContact O-OG 2.92Å; L608-V633 HydrophobicContact CD2-CG1 4.42Å; L608-V633 WeakPolarHBondContact CD2-O 3.31Å; L608-E635 WeakPolarHBondContact CD1-OE2 3.44Å; L608-E635 HydrophobicContact CD2-CB 4.09Å |
| 609 | S | 90.3 | Very high | 93.1 | Very high | 83 Ų | 83 | 31.1 Ų | 31.1 | 58% | 0.58 | 16% | 0.156 | S | C | * | . | G | 310 helix | trans | -65.1 | -13.6 | 176.4 | 59.4 | 0 | 0 | 0 | 0 | 114.6 | R570 K607 S611 | R570-S609 PolarHBondContact NH2-O 2.03Å; K607-S609 PolarHBondContact O-N 2.97Å; K607-S609 VanDerWaalsContact O-N 3.13Å; S609-S611 VanDerWaalsContact C-N 3.29Å |
| 610 | D | 93 | Very high | 93.1 | Very high | 6 Ų | 6 | 31.7 Ų | 31.7 | 3% | 0.032 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -85 | -10.1 | -179.8 | -58.5 | -22.7 | 0 | 0 | 0 | 111.7 | Q588 Y589 V606 K607 L608 | Q588-D610 PolarHBondContact NE2-OD2 3.39Å; Y589-D610 WeakPolarHBondContact OH-CB 3.32Å; Y589-D610 PolarHBondContact OH-OD1 2.93Å; V606-D610 WeakPolarHBondContact CA-OD2 3.41Å; K607-D610 PolarHBondContact N-OD2 3.32Å; K607-D610 VanDerWaalsContact O-CB 3.29Å; K607-D610 WeakPolarHBondContact O-CB 3.42Å; K607-D610 PolarHBondContact O-N 3.13Å; L608-D610 PolarHBondContact O-N 2.86Å |
| 611 | S | 92.4 | Very high | 92.8 | Very high | 42 Ų | 42 | 35.6 Ų | 35.6 | 29% | 0.294 | 19% | 0.187 | S | C | . | . | trans | -58.1 | 142.8 | 171.1 | -53.4 | 0 | 0 | 0 | 0 | 111.2 | L608 S609 V631 V633 | L608-S611 WeakPolarHBondContact O-CB 3.41Å; L608-S611 PolarHBondContact O-N 2.9Å; L608-S611 PolarHBondContact O-OG 2.92Å; S609-S611 VanDerWaalsContact C-N 3.29Å; S611-V631 CarbonylContact C-O 3.56Å; S611-V631 WeakPolarHBondContact CA-O 3.29Å; S611-V633 PolarHBondContact OG-N 3.47Å; S611-V633 VanDerWaalsContact OG-N 3.08Å | ||
| 612 | G | 92.1 | Very high | 92.5 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 5% | 0.052 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 151.5 | -173.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y308 F614 V631 | Y308-G612 WeakPolarHBondContact O-CA 3.23Å; G612-F614 WeakPolarHBondContact O-CD2 3.39Å; G612-V631 PolarHBondContact N-O 2.84Å; G612-V631 PolarHBondContact O-N 3.13Å |
| 613 | M | 94.4 | Very high | 92.3 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.02 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 131.2 | -179.7 | -60.1 | -53.8 | -66.7 | 0 | 0 | 111.8 | P208 S310 I311 N571 E630 | P208-M613 HydrophobicContact CG-CG 4.34Å; P208-M613 VanDerWaalsContact O-CE 3.26Å; P208-M613 WeakPolarHBondContact O-CE 3.19Å; S310-M613 WeakPolarHBondContact O-CB 2.96Å; I311-M613 HydrophobicContact CG2-CB 3.92Å; I311-M613 HydrophobicContact CG2-CE 3.44Å; I311-M613 VanDerWaalsContact CG2-CE 3.44Å; I311-M613 HydrophobicContact CG2-CG 4.21Å; N571-M613 PolarHBondContact N-O 2.99Å; M613-E630 HydrophobicContact CE-CB 4.2Å; M613-E630 HydrophobicContact SD-CB 3.58Å; M613-E630 VanDerWaalsContact SD-CB 3.58Å; M613-E630 HydrophobicContact SD-CG 3.83Å |
| 614 | F | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 139.3 | 174.3 | -66.6 | -94 | 0 | 0 | 0 | 109.4 | L554 Y569 R570 Y589 L601 I603 G612 S628 A629 V631 | L554-F614 HydrophobicContact CD1-CB 3.7Å; L554-F614 HydrophobicContact CD1-CD1 4.25Å; L554-F614 HydrophobicContact CD1-CD2 4.08Å; L554-F614 HydrophobicContact CD1-CG 3.74Å; Y569-F614 CarbonylContact O-C 3.55Å; Y569-F614 VanDerWaalsContact O-CA 3.31Å; Y569-F614 WeakPolarHBondContact O-CA 3.16Å; R570-F614 HydrophobicContact CB-CD1 4.17Å; R570-F614 HydrophobicContact CB-CE1 4Å; R570-F614 HydrophobicContact CG-CD1 4.36Å; R570-F614 HydrophobicContact CG-CE1 3.88Å; R570-F614 HydrophobicContact CG-CZ 4.12Å; Y589-F614 HydrophobicContact CE1-CE1 4.32Å; Y589-F614 HydrophobicContact CE1-CZ 4.42Å; L601-F614 HydrophobicContact CD2-CD1 3.56Å; L601-F614 HydrophobicContact CD2-CE1 3.84Å; I603-F614 HydrophobicContact CD1-CE1 4.06Å; I603-F614 HydrophobicContact CD1-CE2 4.35Å; I603-F614 HydrophobicContact CD1-CZ 3.76Å; G612-F614 WeakPolarHBondContact O-CD2 3.39Å; F614-S628 CarbonylContact O-C 3.59Å; F614-S628 WeakPolarHBondContact O-CA 3.37Å; F614-A629 PolarHBondContact N-O 2.8Å; F614-A629 PolarHBondContact O-N 2.04Å; F614-V631 HydrophobicContact CD2-CB 4.01Å; F614-V631 HydrophobicContact CD2-CG2 3.61Å; F614-V631 HydrophobicContact CE2-CB 3.82Å; F614-V631 HydrophobicContact CE2-CG2 3.79Å |
| 615 | T | 95.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 128.6 | 175.5 | -58.1 | 0 | 0 | 0 | 0 | 109.7 | L312 Y569 A626 S627 S628 | L312-T615 HydrophobicContact CB-CG2 4.2Å; Y569-T615 PolarHBondContact N-O 3.49Å; Y569-T615 PolarHBondContact O-N 2.83Å; T615-A626 HydrophobicContact CG2-CB 4.16Å; T615-S627 CarbonylContact C-O 3.59Å; T615-S627 WeakPolarHBondContact CA-O 3.49Å; T615-S628 WeakPolarHBondContact CG2-OG 3.23Å; T615-S628 PolarHBondContact OG1-OG 3.4Å |
| 616 | C | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 119.3 | 165.1 | 177.1 | 0 | 0 | 0 | 0 | 108.4 | L541 C556 W568 A626 S627 | L541-C616 HydrophobicContact CD1-CB 3.92Å; L541-C616 HydrophobicContact CG-CB 4.23Å; C556-C616 HydrophobicContact CB-CB 3.52Å; C556-C616 WeakPolarHBondContact CB-SG 3.34Å; C556-C616 WeakPolarHBondContact SG-CB 3.39Å; C556-C616 CovalentContact SG-SG 2.03Å; C556-C616 PolarHBondContact SG-SG 3.21Å; W568-C616 HydrophobicContact CD2-CB 4.42Å; W568-C616 HydrophobicContact CE3-CB 4.18Å; W568-C616 HydrophobicContact CH2-CB 4.1Å; W568-C616 HydrophobicContact CZ2-CB 4.3Å; W568-C616 HydrophobicContact CZ3-CB 4.02Å; C616-A626 WeakPolarHBondContact O-CA 3.25Å; C616-S627 PolarHBondContact N-O 2.79Å; C616-S627 PolarHBondContact O-N 3.02Å |
| 617 | L | 94 | Very high | 92.2 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 118.5 | 174.5 | -174.5 | 70.6 | 0 | 0 | 0 | 108.9 | L264 H566 E567 Y569 A626 | L264-L617 HydrophobicContact CD1-CD2 3.63Å; H566-L617 WeakPolarHBondContact CA-O 3.36Å; E567-L617 PolarHBondContact N-O 3.1Å; E567-L617 PolarHBondContact O-N 2.97Å; Y569-L617 HydrophobicContact CD2-CB 4.23Å; Y569-L617 HydrophobicContact CE2-CB 3.89Å; Y569-L617 HydrophobicContact CE2-CD2 3.98Å; L617-A626 HydrophobicContact CD1-CB 3.82Å |
| 618 | A | 93.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 127.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | P535 F537 A558 P564 T565 S624 E625 | P535-A618 HydrophobicContact CB-CB 4.02Å; F537-A618 HydrophobicContact CE1-CB 4.11Å; F537-A618 HydrophobicContact CZ-CB 4.36Å; A558-A618 HydrophobicContact CB-CB 3.3Å; P564-A618 HydrophobicContact CB-CB 4.15Å; T565-A618 WeakPolarHBondContact O-CA 3.4Å; A618-S624 CarbonylContact O-C 3.6Å; A618-S624 WeakPolarHBondContact O-CA 3.14Å; A618-S624 WeakPolarHBondContact O-CB 3.22Å; A618-E625 PolarHBondContact N-O 2.82Å; A618-E625 PolarHBondContact O-N 2.92Å |
| 619 | W | 92.7 | Very high | 92.2 | Very high | 22 Ų | 22 | 18.2 Ų | 18.2 | 8% | 0.083 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 148.4 | -173.7 | 75.2 | -86.9 | 0 | 0 | 0 | 113.4 | T250 T262 L264 P564 T565 G623 | T250-W619 HydrophobicContact CG2-CH2 4.22Å; T250-W619 HydrophobicContact CG2-CZ3 3.96Å; T262-W619 HydrophobicContact CG2-CH2 3.88Å; T262-W619 WeakPolarHBondContact O-CZ2 3.43Å; L264-W619 HydrophobicContact CD1-CB 4.17Å; L264-W619 HydrophobicContact CD1-CD2 3.82Å; L264-W619 HydrophobicContact CD1-CE3 4.49Å; L264-W619 HydrophobicContact CD1-CG 3.64Å; L264-W619 HydrophobicContact CD2-CD2 4.23Å; L264-W619 HydrophobicContact CD2-CE3 4.15Å; L264-W619 HydrophobicContact CD2-CH2 4.45Å; L264-W619 HydrophobicContact CD2-CZ3 4.26Å; L264-W619 HydrophobicContact CG-CD2 4.01Å; L264-W619 HydrophobicContact CG-CE3 4.41Å; L264-W619 HydrophobicContact CG-CG 4.36Å; L264-W619 HydrophobicContact CG-CZ2 4.13Å; P564-W619 CarbonylContact C-O 3.58Å; P564-W619 VanDerWaalsContact CA-O 3.26Å; P564-W619 WeakPolarHBondContact CA-O 3.25Å; T565-W619 PolarHBondContact N-O 2.92Å; T565-W619 PolarHBondContact O-N 2.96Å; W619-G623 WeakPolarHBondContact CA-O 3.2Å |
| 620 | N | 90.2 | Very high | 92.3 | Very high | 13 Ų | 13 | 14.6 Ų | 14.6 | 7% | 0.07 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | -173.2 | 171.1 | 71.7 | 12.2 | 0 | 0 | 0 | 110.2 | A533 P535 P562 L622 G623 | A533-N620 PolarHBondContact O-ND2 2.85Å; P535-N620 WeakPolarHBondContact CD-OD1 3.31Å; P535-N620 HydrophobicContact CG-CB 4.3Å; P562-N620 PolarHBondContact O-ND2 2.78Å; N620-L622 PolarHBondContact O-N 2.91Å; N620-L622 VanDerWaalsContact O-N 3.1Å; N620-L622 WeakPolarHBondContact OD1-CA 3.37Å; N620-L622 WeakPolarHBondContact OD1-CB 3.2Å; N620-L622 PolarHBondContact OD1-N 3.48Å; N620-G623 PolarHBondContact N-O 3.31Å; N620-G623 PolarHBondContact O-N 2.84Å; N620-G623 VanDerWaalsContact O-O 3.05Å; N620-G623 PolarHBondContact OD1-N 2.68Å |
| 621 | S | 85.3 | Confident | 92.2 | Very high | 91 Ų | 91 | 14.3 Ų | 14.3 | 64% | 0.636 | 9% | 0.091 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -15.9 | -178.7 | 54.9 | 0 | 0 | 0 | 0 | 115 | ||
| 622 | L | 87.1 | Confident | 92.1 | Very high | 34 Ų | 34 | 14.2 Ų | 14.2 | 18% | 0.178 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -20.6 | -178 | -58.6 | 169 | 0 | 0 | 0 | 112.6 | R317 T532 K534 I561 N620 | R317-L622 PolarHBondContact NH2-O 3.49Å; T532-L622 HydrophobicContact CG2-CD1 4.48Å; K534-L622 WeakPolarHBondContact CE-O 3.42Å; K534-L622 HydrophobicContact CG-CB 3.79Å; I561-L622 VanDerWaalsContact O-CD1 3.31Å; I561-L622 WeakPolarHBondContact O-CD1 3.27Å; N620-L622 PolarHBondContact O-N 2.91Å; N620-L622 VanDerWaalsContact O-N 3.1Å; N620-L622 WeakPolarHBondContact OD1-CA 3.37Å; N620-L622 WeakPolarHBondContact OD1-CB 3.2Å; N620-L622 PolarHBondContact OD1-N 3.48Å |
| 623 | G | 89.9 | Confident | 92.2 | Very high | 8 Ų | 8 | 14.3 Ų | 14.3 | 8% | 0.082 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157.8 | -162 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P535 W619 N620 | P535-G623 WeakPolarHBondContact CD-O 3.22Å; W619-G623 WeakPolarHBondContact CA-O 3.2Å; N620-G623 PolarHBondContact N-O 3.31Å; N620-G623 PolarHBondContact O-N 2.84Å; N620-G623 VanDerWaalsContact O-O 3.05Å; N620-G623 PolarHBondContact OD1-N 2.68Å |
| 624 | S | 93.1 | Very high | 92 | Very high | 6 Ų | 6 | 15 Ų | 15 | 4% | 0.042 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 166 | 175.9 | 63.4 | 0 | 0 | 0 | 0 | 111.5 | R314 T315 A618 | R314-S624 WeakPolarHBondContact CB-O 3.35Å; T315-S624 WeakPolarHBondContact CB-OG 3.31Å; T315-S624 VanDerWaalsContact CG2-OG 3.27Å; T315-S624 WeakPolarHBondContact CG2-OG 3.46Å; T315-S624 PolarHBondContact N-OG 3.29Å; T315-S624 PolarHBondContact OG1-N 2.94Å; T315-S624 PolarHBondContact OG1-OG 2.93Å; A618-S624 CarbonylContact O-C 3.6Å; A618-S624 WeakPolarHBondContact O-CA 3.14Å; A618-S624 WeakPolarHBondContact O-CB 3.22Å |
| 625 | E | 93.5 | Very high | 91.8 | Very high | 29 Ų | 29 | 19.6 Ų | 19.6 | 14% | 0.136 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 141.1 | 168.2 | -164.2 | 61.3 | -84 | 0 | 0 | 107.8 | R314 P535 F537 A618 | R314-E625 VanDerWaalsContact CZ-CD 3.48Å; R314-E625 IonicContact CZ-OE1 3.39Å; R314-E625 IonicContact CZ-OE2 2.68Å; R314-E625 IonicContact NE-OE1 3.09Å; R314-E625 PolarHBondContact NE-OE1 2.77Å; R314-E625 VanDerWaalsContact NE-OE1 3.08Å; R314-E625 IonicContact NE-OE2 2.7Å; R314-E625 IonicContact NH1-OE1 3.67Å; R314-E625 PolarHBondContact NH1-OE1 2.88Å; R314-E625 IonicContact NH1-OE2 2.64Å; R314-E625 PolarHBondContact NH1-OE2 2.84Å; R314-E625 IonicContact NH2-OE1 2.61Å; R314-E625 PolarHBondContact NH2-OE1 2.79Å; R314-E625 IonicContact NH2-OE2 3.08Å; R314-E625 PolarHBondContact NH2-OE2 2.96Å; P535-E625 HydrophobicContact CB-CB 4.23Å; P535-E625 VanDerWaalsContact O-CB 3.31Å; P535-E625 WeakPolarHBondContact O-CB 3.39Å; F537-E625 HydrophobicContact CD2-CB 4.49Å; F537-E625 HydrophobicContact CD2-CG 3.75Å; F537-E625 HydrophobicContact CE2-CB 3.99Å; F537-E625 HydrophobicContact CE2-CG 3.55Å; F537-E625 HydrophobicContact CZ-CB 4.45Å; F537-E625 HydrophobicContact CZ-CG 4.46Å; F537-E625 WeakPolarHBondContact CZ-O 3.45Å; A618-E625 PolarHBondContact N-O 2.82Å; A618-E625 PolarHBondContact O-N 2.92Å |
| 626 | A | 93.6 | Very high | 91.6 | Very high | 6 Ų | 6 | 22 Ų | 22 | 5% | 0.05 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 132.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L312 T615 C616 L617 | L312-A626 WeakPolarHBondContact O-CB 3.2Å; T615-A626 HydrophobicContact CG2-CB 4.16Å; C616-A626 WeakPolarHBondContact O-CA 3.25Å; L617-A626 HydrophobicContact CD1-CB 3.82Å |
| 627 | S | 92.5 | Very high | 91.5 | Very high | 11 Ų | 11 | 23.9 Ų | 23.9 | 8% | 0.077 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 135.3 | 175.1 | -174.3 | 0 | 0 | 0 | 0 | 108.9 | F537 P540 L541 T615 C616 | F537-S627 VanDerWaalsContact CE2-N 3.3Å; F537-S627 VanDerWaalsContact CZ-N 3.32Å; P540-S627 WeakPolarHBondContact CB-OG 3.46Å; L541-S627 VanDerWaalsContact CD1-O 3.3Å; L541-S627 WeakPolarHBondContact CD1-O 3.39Å; L541-S627 PolarHBondContact N-OG 3.49Å; T615-S627 CarbonylContact C-O 3.59Å; T615-S627 WeakPolarHBondContact CA-O 3.49Å; C616-S627 PolarHBondContact N-O 2.79Å; C616-S627 PolarHBondContact O-N 3.02Å |
| 628 | S | 93 | Very high | 91.5 | Very high | 21 Ų | 21 | 24.3 Ų | 24.3 | 15% | 0.147 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 146.6 | -173.5 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | I311 F614 T615 | I311-S628 WeakPolarHBondContact CB-OG 3.36Å; I311-S628 VanDerWaalsContact CG2-CB 3.41Å; F614-S628 CarbonylContact O-C 3.59Å; F614-S628 WeakPolarHBondContact O-CA 3.37Å; T615-S628 WeakPolarHBondContact CG2-OG 3.23Å; T615-S628 PolarHBondContact OG1-OG 3.4Å |
| 629 | A | 90.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 147.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L541 Q542 N543 F614 | L541-A629 HydrophobicContact CB-CB 3.65Å; L541-A629 HydrophobicContact CD1-CB 4.38Å; Q542-A629 VanDerWaalsContact C-CB 3.45Å; Q542-A629 VanDerWaalsContact O-CB 3.23Å; Q542-A629 WeakPolarHBondContact O-CB 3.49Å; N543-A629 WeakPolarHBondContact OD1-CA 2.99Å; F614-A629 PolarHBondContact N-O 2.8Å; F614-A629 PolarHBondContact O-N 2.04Å |
| 630 | E | 91.3 | Very high | 91.2 | Very high | 7 Ų | 7 | 25.6 Ų | 25.6 | 3% | 0.033 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 124.1 | 168.2 | -170 | 176.8 | 157.1 | 0 | 0 | 109.4 | L194 G207 N543 T544 M613 R632 | L194-E630 HydrophobicContact CD2-CB 4.29Å; L194-E630 HydrophobicContact CD2-CG 4.26Å; G207-E630 PolarHBondContact N-OE2 2.84Å; N543-E630 CarbonylContact C-O 3.58Å; N543-E630 WeakPolarHBondContact CA-O 2.94Å; N543-E630 PolarHBondContact OD1-N 3.34Å; T544-E630 PolarHBondContact N-O 3.48Å; M613-E630 HydrophobicContact CE-CB 4.2Å; M613-E630 HydrophobicContact SD-CB 3.58Å; M613-E630 VanDerWaalsContact SD-CB 3.58Å; M613-E630 HydrophobicContact SD-CG 3.83Å; E630-R632 IonicContact OE1-CZ 3.61Å; E630-R632 IonicContact OE1-NE 3.04Å; E630-R632 PolarHBondContact OE1-NE 2.82Å; E630-R632 IonicContact OE1-NH2 2.88Å; E630-R632 PolarHBondContact OE1-NH2 2.83Å; E630-R632 IonicContact OE2-NH2 2.59Å; E630-R632 PolarHBondContact OE2-NH2 3.46Å |
| 631 | V | 92.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 122.6 | 162.9 | 176.6 | 0 | 0 | 0 | 0 | 107.6 | T544 V552 L554 S611 G612 F614 V633 | T544-V631 WeakPolarHBondContact O-CA 3.25Å; V552-V631 HydrophobicContact CG1-CG2 4.45Å; L554-V631 HydrophobicContact CD1-CG2 3.77Å; L554-V631 HydrophobicContact CD2-CG2 3.9Å; L554-V631 HydrophobicContact CG-CG2 4.25Å; S611-V631 CarbonylContact C-O 3.56Å; S611-V631 WeakPolarHBondContact CA-O 3.29Å; G612-V631 PolarHBondContact N-O 2.84Å; G612-V631 PolarHBondContact O-N 3.13Å; F614-V631 HydrophobicContact CD2-CB 4.01Å; F614-V631 HydrophobicContact CD2-CG2 3.61Å; F614-V631 HydrophobicContact CE2-CB 3.82Å; F614-V631 HydrophobicContact CE2-CG2 3.79Å; V631-V633 HydrophobicContact CG1-CG2 4.41Å |
| 632 | R | 90.2 | Very high | 90.6 | Very high | 39 Ų | 39 | 32.1 Ų | 32.1 | 15% | 0.147 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 118.7 | 176.9 | -169.3 | 176.3 | -66.5 | -174.5 | 3.3 | 110 | L194 A205 T544 V545 V546 E630 L634 | L194-R632 PolarHBondContact O-NH1 3Å; A205-R632 PolarHBondContact O-NH2 2.73Å; T544-R632 PolarHBondContact O-N 3.04Å; V545-R632 WeakPolarHBondContact CA-O 3.41Å; V545-R632 HydrophobicContact CG1-CB 4.36Å; V545-R632 HydrophobicContact CG2-CB 4.27Å; V546-R632 PolarHBondContact N-O 3.33Å; E630-R632 IonicContact OE1-CZ 3.61Å; E630-R632 IonicContact OE1-NE 3.04Å; E630-R632 PolarHBondContact OE1-NE 2.82Å; E630-R632 IonicContact OE1-NH2 2.88Å; E630-R632 PolarHBondContact OE1-NH2 2.83Å; E630-R632 IonicContact OE2-NH2 2.59Å; E630-R632 PolarHBondContact OE2-NH2 3.46Å; R632-L634 HydrophobicContact CG-CD2 4.24Å |
| 633 | V | 92.6 | Very high | 90.5 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 4% | 0.042 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 127.8 | 177.9 | -173.9 | 0 | 0 | 0 | 0 | 109 | V546 I548 V606 K607 L608 S611 V631 | V546-V633 HydrophobicContact CG2-CG2 4.27Å; V546-V633 CarbonylContact O-C 3.55Å; V546-V633 WeakPolarHBondContact O-CA 3.46Å; I548-V633 HydrophobicContact CB-CG1 4.04Å; I548-V633 HydrophobicContact CG1-CG1 4.46Å; V606-V633 HydrophobicContact CB-CG1 4.48Å; V606-V633 HydrophobicContact CB-CG2 3.97Å; V606-V633 HydrophobicContact CG2-CG1 3.88Å; V606-V633 HydrophobicContact CG2-CG2 3.96Å; K607-V633 WeakPolarHBondContact O-CG2 3.3Å; L608-V633 HydrophobicContact CD2-CG1 4.42Å; L608-V633 WeakPolarHBondContact CD2-O 3.31Å; S611-V633 PolarHBondContact OG-N 3.47Å; S611-V633 VanDerWaalsContact OG-N 3.08Å; V631-V633 HydrophobicContact CG1-CG2 4.41Å |
| 634 | L | 90.3 | Very high | 90.5 | Very high | 19 Ų | 19 | 36.3 Ų | 36.3 | 10% | 0.099 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 142.6 | -175.8 | -60.7 | -179.8 | 0 | 0 | 0 | 112.3 | K192 Y196 V545 V546 I548 R632 A665 | K192-L634 HydrophobicContact CD-CD1 4.18Å; Y196-L634 HydrophobicContact CD1-CD1 3.39Å; Y196-L634 HydrophobicContact CE1-CD1 3.95Å; Y196-L634 HydrophobicContact CG-CD1 4.13Å; V545-L634 HydrophobicContact CG1-CD1 3.36Å; V545-L634 HydrophobicContact CG1-CD2 4.05Å; V545-L634 HydrophobicContact CG1-CG 3.58Å; V546-L634 PolarHBondContact O-N 2.88Å; I548-L634 PolarHBondContact N-O 3.1Å; I548-L634 VanDerWaalsContact N-O 3.13Å; R632-L634 HydrophobicContact CG-CD2 4.24Å; L634-A665 HydrophobicContact CB-CB 3.51Å |
| 635 | E | 92.4 | Very high | 90.4 | Very high | 96 Ų | 96 | 36.3 Ų | 36.3 | 45% | 0.449 | 18% | 0.181 | S | C | . | . | trans | -147.2 | 102 | 169.3 | -172.1 | 171.4 | -141.7 | 0 | 0 | 107.7 | I548 L608 L728 | I548-E635 HydrophobicContact CG2-CB 4.4Å; I548-E635 HydrophobicContact CG2-CG 4.38Å; L608-E635 WeakPolarHBondContact CD1-OE2 3.44Å; L608-E635 HydrophobicContact CD2-CB 4.09Å; E635-L728 HydrophobicContact CG-CD1 3.7Å; E635-L728 HydrophobicContact CG-CD2 4.47Å | ||
| 636 | L | 90.6 | Very high | 90.1 | Very high | 52 Ų | 52 | 40.9 Ų | 40.9 | 27% | 0.272 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 130.1 | -168.7 | -178.1 | 68.8 | 0 | 0 | 0 | 111.1 | T639 E663 G664 A665 N726 | L636-T639 HydrophobicContact CD2-CG2 4.32Å; L636-E663 HydrophobicContact CD2-CB 4.31Å; L636-G664 WeakPolarHBondContact O-CA 3.09Å; L636-A665 CarbonylContact C-O 3.6Å; L636-A665 PolarHBondContact N-O 2.84Å; L636-A665 PolarHBondContact O-N 3.14Å; L636-N726 PolarHBondContact O-ND2 3.35Å |
| 637 | A | 92.4 | Very high | 90 | Very high | 40 Ų | 40 | 45.1 Ų | 45.1 | 33% | 0.331 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 149.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T639 L728 | A637-T639 PolarHBondContact O-N 2.97Å; A637-L728 HydrophobicContact CB-CB 3.9Å |
| 638 | P | 93.6 | Very high | 89.8 | Confident | 9 Ų | 9 | 47.1 Ų | 47.1 | 6% | 0.058 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 140.5 | -175.3 | -23.9 | 36.2 | 0 | 0 | 0 | 112.3 | E663 M668 A724 N726 G729 A731 | P638-E663 CarbonylContact C-O 3.51Å; P638-E663 VanDerWaalsContact CA-O 3.27Å; P638-E663 WeakPolarHBondContact CA-O 3.5Å; P638-M668 HydrophobicContact CB-SD 4.16Å; P638-M668 HydrophobicContact CG-CB 4.43Å; P638-M668 HydrophobicContact CG-SD 4.38Å; P638-A724 HydrophobicContact CB-CB 3.79Å; P638-A724 HydrophobicContact CG-CB 4.48Å; P638-N726 WeakPolarHBondContact CD-OD1 3.36Å; P638-N726 HydrophobicContact CG-CB 4.29Å; P638-G729 WeakPolarHBondContact CD-O 3.14Å; P638-A731 HydrophobicContact CB-CB 4.36Å; P638-A731 WeakPolarHBondContact O-CB 3.26Å |
| 639 | T | 91.5 | Very high | 89.4 | Confident | 32 Ų | 32 | 51.9 Ų | 51.9 | 20% | 0.196 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 142.9 | 179.7 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | L636 A637 R641 P662 E663 | L636-T639 HydrophobicContact CD2-CG2 4.32Å; A637-T639 PolarHBondContact O-N 2.97Å; T639-R641 WeakPolarHBondContact OG1-CG 3.47Å; T639-R641 PolarHBondContact OG1-N 3.25Å; T639-P662 CarbonylContact O-C 3.39Å; T639-P662 VanDerWaalsContact O-CA 3.3Å; T639-P662 WeakPolarHBondContact O-CA 3.46Å; T639-E663 HydrophobicContact CG2-CB 3.96Å; T639-E663 PolarHBondContact N-O 2.98Å; T639-E663 PolarHBondContact O-N 2.91Å |
| 640 | F | 89.2 | Confident | 89 | Confident | 18 Ų | 18 | 52.1 Ų | 52.1 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | trans | -105.4 | 14.1 | 176.9 | -71.8 | -83.3 | 0 | 0 | 0 | 113.1 | K642 H643 P644 V645 C660 P662 C722 A724 A731 | F640-K642 PolarHBondContact O-N 3.15Å; F640-H643 CarbonylContact O-C 3.54Å; F640-P644 VanDerWaalsContact O-N 3.14Å; F640-V645 HydrophobicContact CE1-CG2 4.26Å; F640-C660 WeakPolarHBondContact CE1-SG 3.01Å; F640-P662 HydrophobicContact CD1-CB 4.09Å; F640-P662 HydrophobicContact CD2-CB 4.48Å; F640-P662 HydrophobicContact CE1-CB 3.78Å; F640-P662 HydrophobicContact CE1-CG 4.09Å; F640-P662 HydrophobicContact CE2-CB 4.17Å; F640-P662 HydrophobicContact CG-CB 4.44Å; F640-P662 HydrophobicContact CZ-CB 3.83Å; F640-P662 HydrophobicContact CZ-CG 4.06Å; F640-C722 HydrophobicContact CE1-CB 4.4Å; F640-C722 HydrophobicContact CZ-CB 4.09Å; F640-A724 HydrophobicContact CE2-CB 4.09Å; F640-A724 HydrophobicContact CZ-CB 4.08Å; F640-A731 HydrophobicContact CD2-CB 4.1Å; F640-A731 HydrophobicContact CE2-CB 4.33Å | ||
| 641 | R | 83.6 | Confident | 88.5 | Confident | 191 Ų | 191 | 53 Ų | 53 | 72% | 0.721 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -59.6 | -42 | -173.2 | -78.4 | -179.5 | 178.2 | -148.6 | -3.2 | 114.1 | D199 T639 | D199-R641 IonicContact OD1-NH1 2.67Å; D199-R641 PolarHBondContact OD1-NH1 3.11Å; T639-R641 WeakPolarHBondContact OG1-CG 3.47Å; T639-R641 PolarHBondContact OG1-N 3.25Å |
| 642 | K | 79.9 | Confident | 88.1 | Confident | 50 Ų | 50 | 55.4 Ų | 55.4 | 22% | 0.217 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -81.8 | -41.4 | 179.6 | -73.2 | -156 | -172.3 | 94 | 0 | 113.1 | A195 S198 F640 P644 E663 | A195-K642 PolarHBondContact O-NZ 3.19Å; S198-K642 WeakPolarHBondContact O-CE 3.4Å; S198-K642 PolarHBondContact O-NZ 2.78Å; F640-K642 PolarHBondContact O-N 3.15Å; K642-P644 VanDerWaalsContact C-CD 3.48Å; K642-P644 WeakPolarHBondContact O-CD 3.12Å; K642-E663 IonicContact NZ-OE1 3.43Å; K642-E663 PolarHBondContact NZ-OE1 3.29Å; K642-E663 IonicContact NZ-OE2 2.8Å; K642-E663 PolarHBondContact NZ-OE2 2.96Å |
| 643 | H | 84.8 | Confident | 87.7 | Confident | 68 Ų | 68 | 56 Ų | 56 | 32% | 0.315 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -125.7 | 72.8 | -173.2 | -55.8 | -69 | 0 | 0 | 0 | 109.2 | F640 Q661 | F640-H643 CarbonylContact O-C 3.54Å; H643-Q661 HydrophobicContact CB-CB 4.25Å; H643-Q661 WeakPolarHBondContact CB-O 3.49Å |
| 644 | P | 89.3 | Confident | 87.3 | Confident | 61 Ų | 61 | 57.4 Ų | 57.4 | 40% | 0.396 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -63 | 151.2 | 171.5 | 28.9 | -34.3 | 0 | 0 | 0 | 109.6 | F640 K642 M646 | F640-P644 VanDerWaalsContact O-N 3.14Å; K642-P644 VanDerWaalsContact C-CD 3.48Å; K642-P644 WeakPolarHBondContact O-CD 3.12Å; P644-M646 HydrophobicContact CG-SD 4.08Å; P644-M646 PolarHBondContact O-N 2.95Å |
| 645 | V | 90.5 | Very high | 87.2 | Confident | 7 Ų | 7 | 60.2 Ų | 60.2 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 125.3 | 169.9 | -176.1 | 0 | 0 | 0 | 0 | 107 | F640 M658 W672 C722 S733 A735 | F640-V645 HydrophobicContact CE1-CG2 4.26Å; V645-M658 HydrophobicContact CG1-CE 4.14Å; V645-W672 HydrophobicContact CG1-CH2 4.29Å; V645-W672 HydrophobicContact CG1-CZ3 4.49Å; V645-C722 HydrophobicContact CG2-CB 4.01Å; V645-S733 PolarHBondContact N-OG 2.87Å; V645-A735 HydrophobicContact CB-CB 4.2Å; V645-A735 HydrophobicContact CG1-CB 3.65Å; V645-A735 WeakPolarHBondContact O-CB 3.34Å |
| 646 | M | 88.5 | Confident | 86.9 | Confident | 124 Ų | 124 | 55.9 Ų | 55.9 | 61% | 0.611 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -99.3 | 150.3 | -177.2 | -65.9 | -62.6 | -73.3 | 0 | 0 | 111.1 | P644 A735 | P644-M646 HydrophobicContact CG-SD 4.08Å; P644-M646 PolarHBondContact O-N 2.95Å; M646-A735 VanDerWaalsContact O-CB 3.28Å; M646-A735 WeakPolarHBondContact O-CB 3.14Å |
| 647 | P | 90.2 | Very high | 86.9 | Confident | 95 Ų | 95 | 54.1 Ų | 54.1 | 62% | 0.617 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 143.6 | 173.9 | -22.8 | 33.4 | 0 | 0 | 0 | 111.3 | L736 | P647-L736 WeakPolarHBondContact CA-O 3.4Š|
| 648 | N | 88 | Confident | 86.9 | Confident | 54 Ų | 54 | 52.2 Ų | 52.2 | 29% | 0.289 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 158.1 | 177.4 | -161.8 | 8 | 0 | 0 | 0 | 111 | V657 M658 L736 L737 T738 | N648-V657 PolarHBondContact ND2-O 3.18Å; N648-M658 HydrophobicContact CB-CE 4.37Å; N648-M658 HydrophobicContact CB-SD 3.7Å; N648-L736 PolarHBondContact N-O 2.92Å; N648-L737 HydrophobicContact CB-CD1 4.16Å; N648-L737 WeakPolarHBondContact O-CA 3.49Å; N648-T738 PolarHBondContact O-N 3.16Å |
| 649 | E | 84.2 | Confident | 86.6 | Confident | 121 Ų | 121 | 55.8 Ų | 55.8 | 57% | 0.565 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 136.9 | 179 | -61.5 | -177.8 | 171.2 | 0 | 0 | 109.4 | T738 I740 | E649-T738 WeakPolarHBondContact CA-O 3.45Å; E649-I740 HydrophobicContact CB-CD1 4.17Å |
| 650 | G | 83.3 | Confident | 86.5 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 151 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T738 I739 I740 | G650-T738 PolarHBondContact N-O 3.49Å; G650-I739 CarbonylContact O-C 3.5Å; G650-I739 VanDerWaalsContact O-CA 3.27Å; G650-I739 WeakPolarHBondContact O-CA 3.36Å; G650-I740 PolarHBondContact O-N 3.2Å |
| 651 | M | 81.9 | Confident | 86.3 | Confident | 27 Ų | 27 | 54.9 Ų | 54.9 | 13% | 0.133 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 146.6 | 178.1 | -172.8 | 177 | 59.4 | 0 | 0 | 110.3 | G653 S654 L712 Q742 L834 N835 | M651-G653 PolarHBondContact O-N 3.4Å; M651-G653 VanDerWaalsContact O-N 3.17Å; M651-S654 PolarHBondContact N-OG 2.97Å; M651-S654 VanDerWaalsContact N-OG 3.16Å; M651-S654 PolarHBondContact O-N 3.29Å; M651-S654 PolarHBondContact O-OG 3.17Å; M651-L712 WeakPolarHBondContact O-CB 3.29Å; M651-Q742 HydrophobicContact CG-CG 4.29Å; M651-Q742 HydrophobicContact SD-CG 4.14Å; M651-L834 HydrophobicContact CB-CB 4.4Å; M651-L834 HydrophobicContact CB-CD1 4.4Å; M651-L834 WeakPolarHBondContact CE-O 3.44Å; M651-L834 HydrophobicContact CG-CB 4.5Å; M651-L834 HydrophobicContact SD-CB 3.73Å; M651-L834 VanDerWaalsContact SD-O 3.39Å; M651-N835 HydrophobicContact CE-CB 4.35Å; M651-N835 HydrophobicContact SD-CB 3.75Å |
| 652 | V | 83.8 | Confident | 86.6 | Confident | 50 Ų | 50 | 46.4 Ų | 46.4 | 30% | 0.303 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 124.6 | 171.3 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | L712 I739 I740 Q742 | V652-L712 CarbonylContact C-O 3.59Å; V652-L712 WeakPolarHBondContact CA-O 3.43Å; V652-I739 HydrophobicContact CG2-CG2 3.54Å; V652-I740 PolarHBondContact N-O 3.22Å; V652-I740 VanDerWaalsContact N-O 3.16Å; V652-Q742 PolarHBondContact O-NE2 3Å |
| 653 | G | 81.9 | Confident | 87 | Confident | 51 Ų | 51 | 44.5 Ų | 44.5 | 53% | 0.526 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | -2.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | M651 L712 | M651-G653 PolarHBondContact O-N 3.4Å; M651-G653 VanDerWaalsContact O-N 3.17Å; G653-L712 PolarHBondContact N-O 3.49Å |
| 654 | S | 84.6 | Confident | 87.2 | Confident | 36 Ų | 36 | 41.3 Ų | 41.3 | 25% | 0.252 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -96.2 | -174 | 176.7 | 79.1 | 0 | 0 | 0 | 0 | 112.2 | M651 D711 L712 | M651-S654 PolarHBondContact N-OG 2.97Å; M651-S654 VanDerWaalsContact N-OG 3.16Å; M651-S654 PolarHBondContact O-N 3.29Å; M651-S654 PolarHBondContact O-OG 3.17Å; S654-D711 PolarHBondContact O-N 3.49Å; S654-L712 WeakPolarHBondContact O-CB 3.37Å; S654-L712 WeakPolarHBondContact O-CG 3.46Å; S654-L712 PolarHBondContact O-N 3.29Å |
| 655 | T | 86.5 | Confident | 87.2 | Confident | 78 Ų | 78 | 38.4 Ų | 38.4 | 48% | 0.479 | 22% | 0.223 | S | C | . | . | trans | -108.3 | 151.4 | 172.5 | 62.2 | 0 | 0 | 0 | 0 | 110.5 | I709 V710 | T655-I709 CarbonylContact C-O 3.56Å; T655-I709 WeakPolarHBondContact CA-O 3.39Å; T655-V710 HydrophobicContact CG2-CB 4.01Å; T655-V710 HydrophobicContact CG2-CG1 3.85Å | ||
| 656 | A | 87.8 | Confident | 87 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 5% | 0.05 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 152.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I709 L712 L737 | A656-I709 PolarHBondContact N-O 2.83Å; A656-I709 PolarHBondContact O-N 2.92Å; A656-L712 HydrophobicContact CB-CD1 3.74Å; A656-L712 HydrophobicContact CB-CD2 4.33Å; A656-L737 HydrophobicContact CB-CD1 3.95Å; A656-L737 HydrophobicContact CB-CD2 4.46Å |
| 657 | V | 89.4 | Confident | 86.8 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 9% | 0.085 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124.1 | 176.1 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | Q186 N648 E659 L702 N706 L707 L708 | Q186-V657 HydrophobicContact CG-CG1 4.42Å; N648-V657 PolarHBondContact ND2-O 3.18Å; V657-E659 HydrophobicContact CG1-CG 4.49Å; V657-L702 HydrophobicContact CG1-CD1 3.93Å; V657-L702 HydrophobicContact CG2-CD1 4.29Å; V657-N706 HydrophobicContact CG1-CB 3.88Å; V657-L707 CarbonylContact C-O 3.53Å; V657-L707 VanDerWaalsContact CA-O 3.29Å; V657-L707 WeakPolarHBondContact CA-O 3.49Å; V657-L708 HydrophobicContact CG2-CD1 3.72Å |
| 658 | M | 91.6 | Very high | 86.7 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 117.9 | 169.2 | -58.3 | -59.2 | -63.8 | 0 | 0 | 108.5 | V645 N648 W672 N706 L707 I709 Y720 A735 L737 | V645-M658 HydrophobicContact CG1-CE 4.14Å; N648-M658 HydrophobicContact CB-CE 4.37Å; N648-M658 HydrophobicContact CB-SD 3.7Å; M658-W672 HydrophobicContact CB-CH2 3.46Å; M658-W672 VanDerWaalsContact CB-CH2 3.46Å; M658-W672 HydrophobicContact CB-CZ2 4.21Å; M658-W672 HydrophobicContact CB-CZ3 3.8Å; M658-W672 WeakPolarHBondContact O-CH2 3.41Å; M658-W672 VanDerWaalsContact O-CZ2 3.3Å; M658-W672 WeakPolarHBondContact O-CZ2 3.46Å; M658-N706 WeakPolarHBondContact O-CA 3.5Å; M658-N706 WeakPolarHBondContact O-CB 3.29Å; M658-L707 HydrophobicContact CB-CB 4.29Å; M658-L707 PolarHBondContact N-O 3.02Å; M658-L707 PolarHBondContact O-N 3.42Å; M658-I709 HydrophobicContact CG-CD1 4.09Å; M658-Y720 HydrophobicContact CG-CG 4.19Å; M658-A735 HydrophobicContact CE-CB 4.02Å; M658-L737 HydrophobicContact SD-CB 4.17Å; M658-L737 HydrophobicContact SD-CD1 4.27Å |
| 659 | E | 88.8 | Confident | 86.8 | Confident | 83 Ų | 83 | 35.5 Ų | 35.5 | 39% | 0.388 | 22% | 0.221 | S | C | . | . | trans | -81.7 | 127.9 | -175.7 | -62.5 | -177.3 | 177 | 0 | 0 | 111.2 | V657 N706 | V657-E659 HydrophobicContact CG1-CG 4.49Å; E659-N706 WeakPolarHBondContact CA-OD1 3.34Å | ||
| 660 | C | 89.1 | Confident | 87.1 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 20% | 0.195 | C | C | . | . | trans | -132.9 | 97.8 | 176.1 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | F640 P662 W672 N706 C722 | F640-C660 WeakPolarHBondContact CE1-SG 3.01Å; C660-P662 VanDerWaalsContact O-CD 3.31Å; C660-P662 WeakPolarHBondContact O-CD 3.45Å; C660-W672 HydrophobicContact CB-CH2 3.75Å; C660-W672 HydrophobicContact CB-CZ2 3.19Å; C660-N706 PolarHBondContact N-OD1 2.86Å; C660-N706 PolarHBondContact O-OD1 2.84Å; C660-C722 HydrophobicContact CB-CB 3.61Å; C660-C722 WeakPolarHBondContact CB-SG 3.11Å; C660-C722 WeakPolarHBondContact SG-CB 3.49Å; C660-C722 CovalentContact SG-SG 2.01Å; C660-C722 PolarHBondContact SG-SG 2.8Å | ||
| 661 | Q | 85.6 | Confident | 87.5 | Confident | 31 Ų | 31 | 35.3 Ų | 35.3 | 15% | 0.145 | 22% | 0.219 | C | C | . | . | trans | -123.7 | 63.2 | -175.2 | -64.8 | -179.4 | -19.9 | 0 | 0 | 111.8 | N185 L190 H643 | N185-Q661 PolarHBondContact O-NE2 2.91Å; L190-Q661 HydrophobicContact CD1-CB 4.19Å; L190-Q661 VanDerWaalsContact CD1-OE1 3.24Å; H643-Q661 HydrophobicContact CB-CB 4.25Å; H643-Q661 WeakPolarHBondContact CB-O 3.49Å | ||
| 662 | P | 89.2 | Confident | 88.2 | Confident | 12 Ų | 12 | 34.1 Ų | 34.1 | 8% | 0.078 | 21% | 0.213 | C | C | . | . | trans | -67.6 | 148.8 | 176.9 | 29.7 | -36.7 | 0 | 0 | 0 | 111.9 | T639 F640 C660 M668 A724 | T639-P662 CarbonylContact O-C 3.39Å; T639-P662 VanDerWaalsContact O-CA 3.3Å; T639-P662 WeakPolarHBondContact O-CA 3.46Å; F640-P662 HydrophobicContact CD1-CB 4.09Å; F640-P662 HydrophobicContact CD2-CB 4.48Å; F640-P662 HydrophobicContact CE1-CB 3.78Å; F640-P662 HydrophobicContact CE1-CG 4.09Å; F640-P662 HydrophobicContact CE2-CB 4.17Å; F640-P662 HydrophobicContact CG-CB 4.44Å; F640-P662 HydrophobicContact CZ-CB 3.83Å; F640-P662 HydrophobicContact CZ-CG 4.06Å; C660-P662 VanDerWaalsContact O-CD 3.31Å; C660-P662 WeakPolarHBondContact O-CD 3.45Å; P662-M668 HydrophobicContact CB-SD 3.97Å; P662-M668 HydrophobicContact CG-CE 4.48Å; P662-M668 HydrophobicContact CG-SD 3.45Å; P662-M668 WeakPolarHBondContact CG-SD 3.04Å; P662-A724 HydrophobicContact CB-CB 3.93Å; P662-A724 HydrophobicContact CG-CB 3.65Å | ||
| 663 | E | 89 | Confident | 88.7 | Confident | 10 Ų | 10 | 33 Ų | 33 | 5% | 0.047 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 137.6 | 168.5 | -65.7 | -171.8 | 149.5 | 0 | 0 | 110.7 | Y196 G197 L636 P638 T639 K642 | Y196-E663 WeakPolarHBondContact CA-OE1 3.35Å; Y196-E663 HydrophobicContact CD1-CB 4.32Å; Y196-E663 HydrophobicContact CD1-CG 4.47Å; Y196-E663 HydrophobicContact CD2-CG 4.05Å; Y196-E663 HydrophobicContact CE1-CB 3.83Å; Y196-E663 HydrophobicContact CE1-CG 4.26Å; Y196-E663 HydrophobicContact CE2-CB 4.18Å; Y196-E663 HydrophobicContact CE2-CG 3.8Å; Y196-E663 HydrophobicContact CG-CG 4.41Å; Y196-E663 VanDerWaalsContact OH-CA 3.31Å; Y196-E663 WeakPolarHBondContact OH-CA 3.27Å; G197-E663 VanDerWaalsContact CA-OE2 3.25Å; G197-E663 WeakPolarHBondContact CA-OE2 3.4Å; G197-E663 VanDerWaalsContact N-CD 3.33Å; G197-E663 PolarHBondContact N-OE1 2.58Å; G197-E663 PolarHBondContact N-OE2 2.88Å; L636-E663 HydrophobicContact CD2-CB 4.31Å; P638-E663 CarbonylContact C-O 3.51Å; P638-E663 VanDerWaalsContact CA-O 3.27Å; P638-E663 WeakPolarHBondContact CA-O 3.5Å; T639-E663 HydrophobicContact CG2-CB 3.96Å; T639-E663 PolarHBondContact N-O 2.98Å; T639-E663 PolarHBondContact O-N 2.91Å; K642-E663 IonicContact NZ-OE1 3.43Å; K642-E663 PolarHBondContact NZ-OE1 3.29Å; K642-E663 IonicContact NZ-OE2 2.8Å; K642-E663 PolarHBondContact NZ-OE2 2.96Å |
| 664 | G | 88.8 | Confident | 89.3 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.4 | 151.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y196 L636 M668 | Y196-G664 PolarHBondContact OH-N 2.96Å; Y196-G664 PolarHBondContact OH-O 2.76Å; L636-G664 WeakPolarHBondContact O-CA 3.09Å; G664-M668 VanDerWaalsContact O-CE 3.28Å; G664-M668 WeakPolarHBondContact O-CE 2.96Å |
| 665 | A | 88.3 | Confident | 89.7 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 134.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | D547 L634 L636 N726 L728 | D547-A665 WeakPolarHBondContact OD1-CB 3.49Å; L634-A665 HydrophobicContact CB-CB 3.51Å; L636-A665 CarbonylContact C-O 3.6Å; L636-A665 PolarHBondContact N-O 2.84Å; L636-A665 PolarHBondContact O-N 3.14Å; A665-N726 PolarHBondContact O-ND2 3.44Å; A665-L728 WeakPolarHBondContact O-CD1 3.36Å |
| 666 | P | 87.8 | Confident | 89.8 | Confident | 32 Ų | 32 | 33.6 Ų | 33.6 | 21% | 0.208 | 20% | 0.204 | C | C | . | . | S | Bend | cis | -66.4 | 179 | 0.2 | -16.4 | 29.9 | 0 | 0 | 0 | 113.3 | D547 I548 M668 N726 | D547-P666 HydrophobicContact CB-CB 4.47Å; I548-P666 HydrophobicContact CG2-CG 3.9Å; P666-M668 PolarHBondContact O-N 2.83Å; P666-N726 PolarHBondContact O-ND2 2.9Å |
| 667 | A | 82.8 | Confident | 90 | Very high | 82 Ų | 82 | 37.5 Ų | 37.5 | 68% | 0.678 | 23% | 0.227 | S | C | * | . | trans | -41.4 | 130.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D547 | D547-A667 PolarHBondContact OD2-N 3.09Å; D547-A667 VanDerWaalsContact OD2-N 3.16Å | ||
| 668 | M | 87.7 | Confident | 90.1 | Very high | 15 Ų | 15 | 41.5 Ų | 41.5 | 7% | 0.074 | 25% | 0.252 | C | S | . | . | trans | -108.2 | 157.2 | -175.7 | 69.9 | -171.7 | 80.6 | 0 | 0 | 112.8 | P638 P662 G664 P666 K705 A724 K725 N726 | P638-M668 HydrophobicContact CB-SD 4.16Å; P638-M668 HydrophobicContact CG-CB 4.43Å; P638-M668 HydrophobicContact CG-SD 4.38Å; P662-M668 HydrophobicContact CB-SD 3.97Å; P662-M668 HydrophobicContact CG-CE 4.48Å; P662-M668 HydrophobicContact CG-SD 3.45Å; P662-M668 WeakPolarHBondContact CG-SD 3.04Å; G664-M668 VanDerWaalsContact O-CE 3.28Å; G664-M668 WeakPolarHBondContact O-CE 2.96Å; P666-M668 PolarHBondContact O-N 2.83Å; M668-K705 PolarHBondContact O-NZ 3.14Å; M668-A724 HydrophobicContact SD-CB 3.85Å; M668-K725 CarbonylContact C-O 3.58Å; M668-K725 VanDerWaalsContact CA-O 3.26Å; M668-K725 WeakPolarHBondContact CA-O 3.47Å; M668-K725 WeakPolarHBondContact CB-O 3.5Å; M668-N726 HydrophobicContact CB-CB 3.98Å | ||
| 669 | T | 90 | Very high | 90.1 | Very high | 90 Ų | 90 | 42.4 Ų | 42.4 | 55% | 0.552 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 152 | 168.5 | 54.4 | 0 | 0 | 0 | 0 | 110.3 | A724 K725 | T669-A724 CarbonylContact O-C 3.47Å; T669-A724 WeakPolarHBondContact O-CA 3.43Å; T669-K725 PolarHBondContact N-O 2.86Å; T669-K725 PolarHBondContact O-N 2.71Å; T669-K725 PolarHBondContact OG1-O 2.94Å |
| 670 | V | 90.9 | Very high | 90.2 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.03 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 136.5 | 179.2 | 163.3 | 0 | 0 | 0 | 0 | 109.7 | K701 K705 C722 I723 A724 | V670-K701 WeakPolarHBondContact O-CE 3.36Å; V670-K701 PolarHBondContact O-NZ 2.93Å; V670-K705 HydrophobicContact CB-CB 4.06Å; V670-K705 HydrophobicContact CB-CD 4.14Å; V670-K705 HydrophobicContact CG1-CB 4.26Å; V670-K705 HydrophobicContact CG2-CB 3.99Å; V670-K705 HydrophobicContact CG2-CD 3.61Å; V670-K705 HydrophobicContact CG2-CG 4.37Å; V670-C722 WeakPolarHBondContact CG1-SG 3.44Å; V670-I723 CarbonylContact C-O 3.53Å; V670-I723 VanDerWaalsContact CA-O 3.24Å; V670-I723 WeakPolarHBondContact CA-O 3.45Å; V670-A724 HydrophobicContact CG2-CB 4.23Å |
| 671 | E | 93.3 | Very high | 90.1 | Very high | 115 Ų | 115 | 46.6 Ų | 46.6 | 54% | 0.537 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 149 | 173.5 | -67.7 | 178.5 | 178.3 | 0 | 0 | 109.4 | I723 | E671-I723 PolarHBondContact N-O 2.96Å; E671-I723 PolarHBondContact O-N 2.83Å |
| 672 | W | 94.8 | Very high | 90.2 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 1% | 0.011 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 140.7 | -177.6 | -80 | 97.3 | 0 | 0 | 0 | 111.1 | V645 M658 C660 L679 K705 L707 T721 C722 | V645-W672 HydrophobicContact CG1-CH2 4.29Å; V645-W672 HydrophobicContact CG1-CZ3 4.49Å; M658-W672 HydrophobicContact CB-CH2 3.46Å; M658-W672 VanDerWaalsContact CB-CH2 3.46Å; M658-W672 HydrophobicContact CB-CZ2 4.21Å; M658-W672 HydrophobicContact CB-CZ3 3.8Å; M658-W672 WeakPolarHBondContact O-CH2 3.41Å; M658-W672 VanDerWaalsContact O-CZ2 3.3Å; M658-W672 WeakPolarHBondContact O-CZ2 3.46Å; C660-W672 HydrophobicContact CB-CH2 3.75Å; C660-W672 HydrophobicContact CB-CZ2 3.19Å; W672-L679 HydrophobicContact CB-CD1 4.33Å; W672-L679 PolarHBondContact O-N 3.1Å; W672-K705 PolarHBondContact NE1-O 2.85Å; W672-K705 VanDerWaalsContact NE1-O 3.12Å; W672-L707 HydrophobicContact CB-CD1 4.39Å; W672-L707 HydrophobicContact CB-CD2 4.26Å; W672-L707 HydrophobicContact CD2-CB 3.69Å; W672-L707 HydrophobicContact CD2-CD2 3.96Å; W672-L707 HydrophobicContact CD2-CG 4.34Å; W672-L707 VanDerWaalsContact CE2-CB 3.43Å; W672-L707 HydrophobicContact CE3-CB 4.23Å; W672-L707 HydrophobicContact CE3-CD2 3.98Å; W672-L707 HydrophobicContact CG-CB 4Å; W672-L707 HydrophobicContact CG-CD1 4.22Å; W672-L707 HydrophobicContact CG-CD2 4.12Å; W672-L707 HydrophobicContact CG-CG 4.36Å; W672-L707 HydrophobicContact CH2-CB 4.28Å; W672-L707 HydrophobicContact CZ2-CB 3.71Å; W672-T721 CarbonylContact C-O 3.6Å; W672-T721 WeakPolarHBondContact CA-O 3.43Å; W672-C722 HydrophobicContact CD2-CB 4.04Å; W672-C722 HydrophobicContact CE3-CB 3.93Å; W672-C722 HydrophobicContact CH2-CB 3.79Å; W672-C722 HydrophobicContact CZ2-CB 3.91Å; W672-C722 HydrophobicContact CZ3-CB 3.79Å |
| 673 | L | 95.5 | Very high | 90 | Very high | 27 Ų | 27 | 52.7 Ų | 52.7 | 14% | 0.141 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 150.8 | 170.5 | -53.9 | 105.6 | 0 | 0 | 0 | 111.1 | G676 T677 V678 Y720 T721 I723 | L673-G676 WeakPolarHBondContact CD2-O 3.47Å; L673-T677 CarbonylContact C-O 3.49Å; L673-T677 WeakPolarHBondContact CA-O 3.31Å; L673-T677 WeakPolarHBondContact CB-O 3.46Å; L673-V678 HydrophobicContact CD2-CG2 3.7Å; L673-V678 HydrophobicContact CG-CG2 4.29Å; L673-Y720 CarbonylContact O-C 3.57Å; L673-Y720 VanDerWaalsContact O-CA 3.27Å; L673-Y720 WeakPolarHBondContact O-CA 3.25Å; L673-T721 HydrophobicContact CD1-CG2 4.1Å; L673-T721 PolarHBondContact N-O 3.48Å; L673-T721 PolarHBondContact O-N 3.16Å; L673-I723 HydrophobicContact CD1-CD1 3.39Å; L673-I723 HydrophobicContact CD1-CG1 3.69Å |
| 674 | H | 94.8 | Very high | 89.6 | Confident | 23 Ų | 23 | 53.5 Ų | 53.5 | 11% | 0.106 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 118.6 | 167.7 | 175.8 | 61.1 | 0 | 0 | 0 | 108.7 | G676 T677 L679 D716 Q719 Y720 | H674-G676 PolarHBondContact O-N 3.33Å; H674-G676 VanDerWaalsContact O-N 3.12Å; H674-T677 PolarHBondContact N-O 3.16Å; H674-T677 PolarHBondContact O-N 3.01Å; H674-T677 PolarHBondContact O-OG1 3.24Å; H674-L679 HydrophobicContact CB-CD1 4.04Å; H674-L679 HydrophobicContact CB-CD2 3.79Å; H674-L679 HydrophobicContact CB-CG 4.03Å; H674-D716 PolarHBondContact CE1-O 3.45Å; H674-Q719 WeakPolarHBondContact CA-O 3.45Å; H674-Y720 HydrophobicContact CB-CD1 4.14Å; H674-Y720 HydrophobicContact CB-CE1 3.87Å; H674-Y720 AromaticContact CE1-CE2 3.73Å; H674-Y720 AromaticContact CE1-CZ 3.76Å; H674-Y720 AromaticContact CG-CE1 3.96Å; H674-Y720 AromaticContact CG-CZ 3.83Å; H674-Y720 AromaticContact ND1-CD2 3.8Å; H674-Y720 AromaticContact ND1-CE1 3.68Å; H674-Y720 AromaticContact ND1-CE2 3.23Å; H674-Y720 WeakPolarHBondContact ND1-CE2 3.19Å; H674-Y720 AromaticContact ND1-CZ 3.17Å; H674-Y720 PolarHBondContact ND1-OH 2.85Å |
| 675 | D | 91.3 | Very high | 89 | Confident | 93 Ų | 93 | 59 Ų | 59 | 50% | 0.497 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 41.7 | -176.4 | -66.4 | -35 | 0 | 0 | 0 | 113.2 | T677 Q719 | D675-T677 VanDerWaalsContact C-N 3.34Å; D675-T677 PolarHBondContact O-N 3.43Å; D675-Q719 PolarHBondContact N-O 2.67Å; D675-Q719 PolarHBondContact OD1-N 3.13Å |
| 676 | G | 89.3 | Confident | 88.1 | Confident | 61 Ų | 61 | 61 Ų | 61 | 63% | 0.629 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | -1.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L673 H674 | L673-G676 WeakPolarHBondContact CD2-O 3.47Å; H674-G676 PolarHBondContact O-N 3.33Å; H674-G676 VanDerWaalsContact O-N 3.12Å |
| 677 | T | 92 | Very high | 87.2 | Confident | 87 Ų | 87 | 61 Ų | 61 | 53% | 0.534 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 131.8 | 176.9 | 64.9 | 0 | 0 | 0 | 0 | 111.5 | L673 H674 D675 L679 | L673-T677 CarbonylContact C-O 3.49Å; L673-T677 WeakPolarHBondContact CA-O 3.31Å; L673-T677 WeakPolarHBondContact CB-O 3.46Å; H674-T677 PolarHBondContact N-O 3.16Å; H674-T677 PolarHBondContact O-N 3.01Å; H674-T677 PolarHBondContact O-OG1 3.24Å; D675-T677 VanDerWaalsContact C-N 3.34Å; D675-T677 PolarHBondContact O-N 3.43Å; T677-L679 PolarHBondContact O-N 3.17Å |
| 678 | V | 92.4 | Very high | 86.2 | Confident | 98 Ų | 98 | 59.8 Ų | 59.8 | 59% | 0.594 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 127.2 | -178.7 | 179.6 | 0 | 0 | 0 | 0 | 110 | L673 | L673-V678 HydrophobicContact CD2-CG2 3.7Å; L673-V678 HydrophobicContact CG-CG2 4.29Å |
| 679 | L | 91.8 | Very high | 84.8 | Confident | 21 Ų | 21 | 64 Ų | 64 | 11% | 0.11 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -84.8 | 135.1 | 176.9 | -64.4 | 178.4 | 0 | 0 | 0 | 110.7 | W672 H674 T677 T681 Y699 L707 Y720 | W672-L679 HydrophobicContact CB-CD1 4.33Å; W672-L679 PolarHBondContact O-N 3.1Å; H674-L679 HydrophobicContact CB-CD1 4.04Å; H674-L679 HydrophobicContact CB-CD2 3.79Å; H674-L679 HydrophobicContact CB-CG 4.03Å; T677-L679 PolarHBondContact O-N 3.17Å; L679-T681 HydrophobicContact CB-CG2 4.47Å; L679-Y699 HydrophobicContact CD1-CD1 3.92Å; L679-Y699 HydrophobicContact CD1-CE1 4.09Å; L679-Y699 HydrophobicContact CD1-CG 4.22Å; L679-Y699 HydrophobicContact CD2-CD2 4.01Å; L679-Y699 HydrophobicContact CD2-CE1 4.3Å; L679-Y699 HydrophobicContact CD2-CE2 3.75Å; L679-Y699 HydrophobicContact CD2-CG 4.4Å; L679-L707 HydrophobicContact CD1-CD1 4.39Å; L679-L707 HydrophobicContact CD1-CD2 3.75Å; L679-Y720 HydrophobicContact CD1-CD1 4.09Å; L679-Y720 HydrophobicContact CD1-CE1 3.9Å |
| 680 | T | 89.7 | Confident | 83.5 | Confident | 129 Ų | 129 | 63.5 Ų | 63.5 | 79% | 0.791 | 36% | 0.36 | S | S | * | . | trans | -87.3 | 113.6 | 168 | -53.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 681 | T | 88 | Confident | 82.2 | Confident | 42 Ų | 42 | 63.6 Ų | 63.6 | 26% | 0.258 | 36% | 0.363 | S | S | . | . | trans | -105.4 | 137.3 | -176.4 | 60.3 | 0 | 0 | 0 | 0 | 112 | L679 Y699 L707 | L679-T681 HydrophobicContact CB-CG2 4.47Å; T681-Y699 WeakPolarHBondContact CA-O 3.46Å; T681-L707 HydrophobicContact CG2-CD1 3.84Å | ||
| 682 | S | 87.5 | Confident | 81 | Confident | 32 Ų | 32 | 61.2 Ų | 61.2 | 22% | 0.224 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 168.6 | 164 | 50.1 | 0 | 0 | 0 | 0 | 111.8 | T697 Y699 C700 K701 | S682-T697 PolarHBondContact OG-OG1 2.87Å; S682-Y699 PolarHBondContact N-O 2.94Å; S682-Y699 VanDerWaalsContact N-O 3.16Å; S682-C700 CarbonylContact O-C 3.47Å; S682-C700 WeakPolarHBondContact O-CA 3.2Å; S682-C700 WeakPolarHBondContact O-CB 3.5Å; S682-C700 PolarHBondContact OG-SG 2.8Å; S682-K701 PolarHBondContact O-N 2.81Å |
| 683 | D | 83.7 | Confident | 80.1 | Confident | 140 Ų | 140 | 61.9 Ų | 61.9 | 75% | 0.749 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 140.7 | 169.4 | -64.5 | -37.6 | 0 | 0 | 0 | 110.3 | ||
| 684 | S | 81.1 | Confident | 79.3 | Confident | 27 Ų | 27 | 63.4 Ų | 63.4 | 19% | 0.189 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 159.8 | 172.7 | 67.2 | 0 | 0 | 0 | 0 | 111.9 | K701 L702 | S684-K701 PolarHBondContact N-O 3.47Å; S684-L702 VanDerWaalsContact OG-CD2 3.27Å; S684-L702 WeakPolarHBondContact OG-CD2 3.46Å |
| 685 | W | 76.1 | Confident | 78.8 | Confident | 118 Ų | 118 | 63 Ų | 63 | 45% | 0.447 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 149.5 | 169.5 | 63.8 | -77.8 | 0 | 0 | 0 | 109.4 | D687 N694 | W685-D687 HydrophobicContact CH2-CB 4.31Å; W685-D687 HydrophobicContact CZ3-CB 4.12Å; W685-N694 HydrophobicContact CZ2-CB 3.89Å; W685-N694 PolarHBondContact N-O 3.14Å; W685-N694 VanDerWaalsContact N-O 3.12Å; W685-N694 PolarHBondContact O-N 3.04Å |
| 686 | L | 69.8 | Low | 78.4 | Confident | 41 Ų | 41 | 62.7 Ų | 62.7 | 22% | 0.215 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 122.9 | 175.6 | -81.6 | 156.8 | 0 | 0 | 0 | 108.8 | L187 P688 G691 | L187-L686 HydrophobicContact CD1-CD2 3.86Å; L686-P688 VanDerWaalsContact O-CD 3.23Å; L686-P688 WeakPolarHBondContact O-CD 3.27Å; L686-G691 WeakPolarHBondContact CD2-O 3.33Å |
| 687 | D | 69.6 | Low | 78.3 | Confident | 31 Ų | 31 | 63 Ų | 63 | 17% | 0.166 | 37% | 0.371 | C | S | . | . | trans | -64.1 | 114.7 | 168 | 173.3 | 11.5 | 0 | 0 | 0 | 108.6 | W685 E689 T690 G691 T692 | W685-D687 HydrophobicContact CH2-CB 4.31Å; W685-D687 HydrophobicContact CZ3-CB 4.12Å; D687-E689 PolarHBondContact O-N 3.44Å; D687-E689 PolarHBondContact OD1-N 3.24Å; D687-T690 WeakPolarHBondContact CB-OG1 3.39Å; D687-T690 VanDerWaalsContact CG-OG1 3.31Å; D687-T690 WeakPolarHBondContact OD2-CB 3.29Å; D687-T690 WeakPolarHBondContact OD2-CG2 3.11Å; D687-T690 PolarHBondContact OD2-N 3.32Å; D687-T690 PolarHBondContact OD2-OG1 2.9Å; D687-G691 WeakPolarHBondContact O-CA 3.35Å; D687-G691 PolarHBondContact O-N 3.11Å; D687-T692 PolarHBondContact N-O 3.39Å | ||
| 688 | P | 61.6 | Low | 78.2 | Confident | 57 Ų | 57 | 61.6 Ų | 61.6 | 37% | 0.37 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -17 | -179 | 27.9 | -33.5 | 0 | 0 | 0 | 112.3 | G117 H118 L686 | G117-P688 CarbonylContact C-O 3.58Å; H118-P688 WeakPolarHBondContact CA-O 3.45Å; H118-P688 PolarHBondContact N-O 3.03Å; L686-P688 VanDerWaalsContact O-CD 3.23Å; L686-P688 WeakPolarHBondContact O-CD 3.27Å |
| 689 | E | 58.1 | Low | 78.2 | Confident | 105 Ų | 105 | 58.9 Ų | 58.9 | 49% | 0.491 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -60.8 | 172.3 | -66.2 | -165.3 | 166.2 | 0 | 0 | 110.3 | P119 D687 | P119-E689 HydrophobicContact CB-CB 4.36Å; P119-E689 WeakPolarHBondContact CD-O 3.4Å; P119-E689 HydrophobicContact CG-CB 4.17Å; P119-E689 WeakPolarHBondContact CG-O 3.35Å; D687-E689 PolarHBondContact O-N 3.44Å; D687-E689 PolarHBondContact OD1-N 3.24Å |
| 690 | T | 61.9 | Low | 78.1 | Confident | 78 Ų | 78 | 57.9 Ų | 57.9 | 48% | 0.479 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -16.8 | -172.6 | 59.4 | 0 | 0 | 0 | 0 | 114.1 | D687 T692 | D687-T690 WeakPolarHBondContact CB-OG1 3.39Å; D687-T690 VanDerWaalsContact CG-OG1 3.31Å; D687-T690 WeakPolarHBondContact OD2-CB 3.29Å; D687-T690 WeakPolarHBondContact OD2-CG2 3.11Å; D687-T690 PolarHBondContact OD2-N 3.32Å; D687-T690 PolarHBondContact OD2-OG1 2.9Å; T690-T692 PolarHBondContact O-N 3.2Å; T690-T692 PolarHBondContact OG1-N 3.43Å; T690-T692 PolarHBondContact OG1-OG1 3.36Å |
| 691 | G | 63.2 | Low | 77.9 | Confident | 8 Ų | 8 | 54.3 Ų | 54.3 | 8% | 0.082 | 30% | 0.304 | C | S | . | . | trans | 67.6 | 6.5 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N183 L686 D687 | N183-G691 PolarHBondContact ND2-O 3.27Å; L686-G691 WeakPolarHBondContact CD2-O 3.33Å; D687-G691 WeakPolarHBondContact O-CA 3.35Å; D687-G691 PolarHBondContact O-N 3.11Å | ||
| 692 | T | 69.8 | Low | 77.6 | Confident | 65 Ų | 65 | 52.5 Ų | 52.5 | 40% | 0.399 | 29% | 0.293 | S | S | . | . | trans | -87.8 | 144.7 | -179.7 | 65.9 | 0 | 0 | 0 | 0 | 110.5 | D687 T690 N694 | D687-T692 PolarHBondContact N-O 3.39Å; T690-T692 PolarHBondContact O-N 3.2Å; T690-T692 PolarHBondContact OG1-N 3.43Å; T690-T692 PolarHBondContact OG1-OG1 3.36Å; T692-N694 PolarHBondContact O-N 3Å | ||
| 693 | A | 73.9 | Confident | 77 | Confident | 17 Ų | 17 | 54.4 Ų | 54.4 | 14% | 0.14 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 130.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | L187 L702 L708 | L187-A693 HydrophobicContact CD2-CB 3.9Å; A693-L702 HydrophobicContact CB-CD2 3.62Å; A693-L708 HydrophobicContact CB-CD2 4.07Å; A693-L708 VanDerWaalsContact O-CD2 3.28Å; A693-L708 WeakPolarHBondContact O-CD2 3.02Å |
| 694 | N | 80.2 | Confident | 76.6 | Confident | 59 Ų | 59 | 48 Ų | 48 | 32% | 0.316 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 166.4 | 177.7 | -158.6 | -2.2 | 0 | 0 | 0 | 110.3 | W685 T692 | W685-N694 HydrophobicContact CZ2-CB 3.89Å; W685-N694 PolarHBondContact N-O 3.14Å; W685-N694 VanDerWaalsContact N-O 3.12Å; W685-N694 PolarHBondContact O-N 3.04Å; T692-N694 PolarHBondContact O-N 3Å |
| 695 | C | 83.1 | Confident | 76.7 | Confident | 13 Ų | 13 | 49.6 Ų | 49.6 | 9% | 0.088 | 28% | 0.275 | C | S | . | . | trans | -127.8 | 135.7 | -172.8 | -164 | 0 | 0 | 0 | 0 | 110.9 | T697 C700 L708 V710 | C695-T697 VanDerWaalsContact CB-O 3.25Å; C695-T697 WeakPolarHBondContact CB-O 3.44Å; C695-T697 PolarHBondContact O-N 2.73Å; C695-T697 PolarHBondContact SG-O 3.42Å; C695-C700 WeakPolarHBondContact CA-SG 3.31Å; C695-C700 HydrophobicContact CB-CB 3.78Å; C695-C700 WeakPolarHBondContact CB-SG 3.38Å; C695-C700 VanDerWaalsContact SG-CA 3.54Å; C695-C700 WeakPolarHBondContact SG-CB 3.33Å; C695-C700 PolarHBondContact SG-N 3.42Å; C695-C700 CovalentContact SG-SG 2Å; C695-C700 PolarHBondContact SG-SG 3.24Å; C695-L708 HydrophobicContact CB-CD2 4.22Å; C695-V710 HydrophobicContact CB-CG1 3.76Å; C695-V710 HydrophobicContact CB-CG2 4.04Å | ||
| 696 | A | 83.2 | Confident | 77.3 | Confident | 87 Ų | 87 | 44 Ų | 44 | 72% | 0.719 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -73.9 | -18.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 697 | T | 87.3 | Confident | 78.4 | Confident | 69 Ų | 69 | 42 Ų | 42 | 42% | 0.423 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -126.1 | -171.9 | 177.3 | 68 | 0 | 0 | 0 | 0 | 109.6 | S682 C695 Y699 V710 | S682-T697 PolarHBondContact OG-OG1 2.87Å; C695-T697 VanDerWaalsContact CB-O 3.25Å; C695-T697 WeakPolarHBondContact CB-O 3.44Å; C695-T697 PolarHBondContact O-N 2.73Å; C695-T697 PolarHBondContact SG-O 3.42Å; T697-Y699 PolarHBondContact OG1-O 2.84Å; T697-Y699 VanDerWaalsContact OG1-O 3.13Å; T697-V710 VanDerWaalsContact O-CG2 3.31Å; T697-V710 WeakPolarHBondContact O-CG2 3.44Å |
| 698 | K | 89.7 | Confident | 79.3 | Confident | 56 Ų | 56 | 40.8 Ų | 40.8 | 24% | 0.243 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -66.9 | -35.3 | 176.9 | -178.3 | 63.8 | 175.8 | -178.3 | 0 | 113.1 | V710 D711 D716 | K698-V710 VanDerWaalsContact CD-O 3.22Å; K698-V710 WeakPolarHBondContact CD-O 3.33Å; K698-V710 VanDerWaalsContact CE-O 3.27Å; K698-V710 WeakPolarHBondContact CE-O 3.28Å; K698-V710 PolarHBondContact NZ-O 2.89Å; K698-V710 PolarHBondContact O-N 3.03Å; K698-D711 VanDerWaalsContact NZ-C 3.28Å; K698-D711 PolarHBondContact NZ-O 2.71Å; K698-D716 VanDerWaalsContact CE-OD1 3.26Å; K698-D716 WeakPolarHBondContact CE-OD1 3.39Å; K698-D716 WeakPolarHBondContact CE-OD2 3.24Å; K698-D716 IonicContact NZ-OD1 3.08Å; K698-D716 IonicContact NZ-OD2 3.49Å; K698-D716 PolarHBondContact NZ-OD2 2.89Å |
| 699 | Y | 92.7 | Very high | 80.8 | Confident | 41 Ų | 41 | 38 Ų | 38 | 16% | 0.161 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 122.5 | -170.6 | -57.8 | -71.5 | 0 | 0 | 0 | 110.9 | L679 T681 S682 T697 L707 L708 I709 Y720 | L679-Y699 HydrophobicContact CD1-CD1 3.92Å; L679-Y699 HydrophobicContact CD1-CE1 4.09Å; L679-Y699 HydrophobicContact CD1-CG 4.22Å; L679-Y699 HydrophobicContact CD2-CD2 4.01Å; L679-Y699 HydrophobicContact CD2-CE1 4.3Å; L679-Y699 HydrophobicContact CD2-CE2 3.75Å; L679-Y699 HydrophobicContact CD2-CG 4.4Å; T681-Y699 WeakPolarHBondContact CA-O 3.46Å; S682-Y699 PolarHBondContact N-O 2.94Å; S682-Y699 VanDerWaalsContact N-O 3.16Å; T697-Y699 PolarHBondContact OG1-O 2.84Å; T697-Y699 VanDerWaalsContact OG1-O 3.13Å; Y699-L707 HydrophobicContact CD1-CD1 4.48Å; Y699-L708 WeakPolarHBondContact CA-O 3.31Å; Y699-I709 HydrophobicContact CD1-CG1 4.03Å; Y699-I709 HydrophobicContact CD1-CG2 4.16Å; Y699-I709 HydrophobicContact CE1-CG1 4.22Å; Y699-I709 HydrophobicContact CE1-CG2 3.88Å; Y699-Y720 HydrophobicContact CE1-CE1 4.15Å |
| 700 | C | 89.5 | Confident | 82.3 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 150.2 | 176.4 | -79.5 | 0 | 0 | 0 | 0 | 112.7 | S682 C695 L707 L708 | S682-C700 CarbonylContact O-C 3.47Å; S682-C700 WeakPolarHBondContact O-CA 3.2Å; S682-C700 WeakPolarHBondContact O-CB 3.5Å; S682-C700 PolarHBondContact OG-SG 2.8Å; C695-C700 WeakPolarHBondContact CA-SG 3.31Å; C695-C700 HydrophobicContact CB-CB 3.78Å; C695-C700 WeakPolarHBondContact CB-SG 3.38Å; C695-C700 VanDerWaalsContact SG-CA 3.54Å; C695-C700 WeakPolarHBondContact SG-CB 3.33Å; C695-C700 PolarHBondContact SG-N 3.42Å; C695-C700 CovalentContact SG-SG 2Å; C695-C700 PolarHBondContact SG-SG 3.24Å; C700-L707 WeakPolarHBondContact O-CA 3.18Å; C700-L708 HydrophobicContact CB-CB 4.32Å; C700-L708 PolarHBondContact N-O 2.76Å; C700-L708 PolarHBondContact O-N 3.41Å |
| 701 | K | 86.6 | Confident | 83.5 | Confident | 54 Ų | 54 | 35.1 Ų | 35.1 | 24% | 0.235 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 122.8 | 167.6 | -169.2 | 176.5 | -73.9 | 154.9 | 0 | 109.2 | V670 S682 S684 | V670-K701 WeakPolarHBondContact O-CE 3.36Å; V670-K701 PolarHBondContact O-NZ 2.93Å; S682-K701 PolarHBondContact O-N 2.81Å; S684-K701 PolarHBondContact N-O 3.47Å |
| 702 | L | 82.1 | Confident | 84.8 | Confident | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | trans | -74.2 | 161.3 | 172.7 | -62 | -177 | 0 | 0 | 0 | 110.5 | L187 V657 S684 A693 S704 K705 N706 L708 | L187-L702 HydrophobicContact CD2-CB 4.25Å; L187-L702 HydrophobicContact CD2-CD1 3.97Å; L187-L702 HydrophobicContact CD2-CD2 3.76Å; L187-L702 HydrophobicContact CD2-CG 4.21Å; V657-L702 HydrophobicContact CG1-CD1 3.93Å; V657-L702 HydrophobicContact CG2-CD1 4.29Å; S684-L702 VanDerWaalsContact OG-CD2 3.27Å; S684-L702 WeakPolarHBondContact OG-CD2 3.46Å; A693-L702 HydrophobicContact CB-CD2 3.62Å; L702-S704 PolarHBondContact O-N 2.76Å; L702-K705 WeakPolarHBondContact O-CA 3.28Å; L702-K705 PolarHBondContact O-N 2.91Å; L702-N706 HydrophobicContact CB-CB 4.27Å; L702-N706 HydrophobicContact CD1-CB 3.98Å; L702-N706 HydrophobicContact CG-CB 4.4Å; L702-N706 PolarHBondContact N-O 2.97Å; L702-L708 HydrophobicContact CD1-CB 4.48Å; L702-L708 HydrophobicContact CD2-CB 3.95Å; L702-L708 HydrophobicContact CD2-CD2 4.17Å; L702-L708 HydrophobicContact CG-CB 4.14Å | ||
| 703 | P | 74.5 | Confident | 85.8 | Confident | 71 Ų | 71 | 34.8 Ų | 34.8 | 46% | 0.461 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -30.6 | 174.7 | -26.1 | 34.8 | 0 | 0 | 0 | 114.1 | K705 | P703-K705 PolarHBondContact O-N 2.78Š|
| 704 | S | 75.8 | Confident | 86.3 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 4% | 0.035 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -10.6 | 171.3 | 56.7 | 0 | 0 | 0 | 0 | 114.8 | Q186 L187 L188 L702 N706 | Q186-S704 WeakPolarHBondContact O-CB 3.45Å; Q186-S704 PolarHBondContact O-OG 2.74Å; L187-S704 WeakPolarHBondContact O-CB 3.38Å; L187-S704 PolarHBondContact O-N 2.64Å; L188-S704 WeakPolarHBondContact O-CB 3.46Å; L702-S704 PolarHBondContact O-N 2.76Å; S704-N706 VanDerWaalsContact C-N 3.29Å; S704-N706 WeakPolarHBondContact OG-CB 3.32Å; S704-N706 PolarHBondContact OG-N 2.82Å; S704-N706 PolarHBondContact OG-ND2 2.86Å |
| 705 | K | 82.6 | Confident | 86.7 | Confident | 62 Ų | 62 | 43.4 Ų | 43.4 | 27% | 0.27 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 76.3 | 4.2 | -169.8 | -47.9 | 175.4 | -170.1 | 175.5 | 0 | 115.4 | M668 V670 W672 L702 P703 | M668-K705 PolarHBondContact O-NZ 3.14Å; V670-K705 HydrophobicContact CB-CB 4.06Å; V670-K705 HydrophobicContact CB-CD 4.14Å; V670-K705 HydrophobicContact CG1-CB 4.26Å; V670-K705 HydrophobicContact CG2-CB 3.99Å; V670-K705 HydrophobicContact CG2-CD 3.61Å; V670-K705 HydrophobicContact CG2-CG 4.37Å; W672-K705 PolarHBondContact NE1-O 2.85Å; W672-K705 VanDerWaalsContact NE1-O 3.12Å; L702-K705 WeakPolarHBondContact O-CA 3.28Å; L702-K705 PolarHBondContact O-N 2.91Å; P703-K705 PolarHBondContact O-N 2.78Å |
| 706 | N | 88.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 153.3 | 170.1 | -65.5 | -9.5 | 0 | 0 | 0 | 111.2 | Q186 V657 M658 E659 C660 L702 S704 | Q186-N706 PolarHBondContact O-ND2 2.73Å; V657-N706 HydrophobicContact CG1-CB 3.88Å; M658-N706 WeakPolarHBondContact O-CA 3.5Å; M658-N706 WeakPolarHBondContact O-CB 3.29Å; E659-N706 WeakPolarHBondContact CA-OD1 3.34Å; C660-N706 PolarHBondContact N-OD1 2.86Å; C660-N706 PolarHBondContact O-OD1 2.84Å; L702-N706 HydrophobicContact CB-CB 4.27Å; L702-N706 HydrophobicContact CD1-CB 3.98Å; L702-N706 HydrophobicContact CG-CB 4.4Å; L702-N706 PolarHBondContact N-O 2.97Å; S704-N706 VanDerWaalsContact C-N 3.29Å; S704-N706 WeakPolarHBondContact OG-CB 3.32Å; S704-N706 PolarHBondContact OG-N 2.82Å; S704-N706 PolarHBondContact OG-ND2 2.86Å |
| 707 | L | 91.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 118.7 | 177.2 | 179 | 71.3 | 0 | 0 | 0 | 110.1 | V657 M658 W672 L679 T681 Y699 C700 I709 Y720 | V657-L707 CarbonylContact C-O 3.53Å; V657-L707 VanDerWaalsContact CA-O 3.29Å; V657-L707 WeakPolarHBondContact CA-O 3.49Å; M658-L707 HydrophobicContact CB-CB 4.29Å; M658-L707 PolarHBondContact N-O 3.02Å; M658-L707 PolarHBondContact O-N 3.42Å; W672-L707 HydrophobicContact CB-CD1 4.39Å; W672-L707 HydrophobicContact CB-CD2 4.26Å; W672-L707 HydrophobicContact CD2-CB 3.69Å; W672-L707 HydrophobicContact CD2-CD2 3.96Å; W672-L707 HydrophobicContact CD2-CG 4.34Å; W672-L707 VanDerWaalsContact CE2-CB 3.43Å; W672-L707 HydrophobicContact CE3-CB 4.23Å; W672-L707 HydrophobicContact CE3-CD2 3.98Å; W672-L707 HydrophobicContact CG-CB 4Å; W672-L707 HydrophobicContact CG-CD1 4.22Å; W672-L707 HydrophobicContact CG-CD2 4.12Å; W672-L707 HydrophobicContact CG-CG 4.36Å; W672-L707 HydrophobicContact CH2-CB 4.28Å; W672-L707 HydrophobicContact CZ2-CB 3.71Å; L679-L707 HydrophobicContact CD1-CD1 4.39Å; L679-L707 HydrophobicContact CD1-CD2 3.75Å; T681-L707 HydrophobicContact CG2-CD1 3.84Å; Y699-L707 HydrophobicContact CD1-CD1 4.48Å; C700-L707 WeakPolarHBondContact O-CA 3.18Å; L707-I709 HydrophobicContact CD2-CD1 4.21Å; L707-I709 HydrophobicContact CD2-CG1 4.11Å; L707-I709 HydrophobicContact CG-CG1 4.07Å; L707-Y720 HydrophobicContact CD2-CD1 3.46Å; L707-Y720 VanDerWaalsContact CD2-CD1 3.46Å; L707-Y720 HydrophobicContact CD2-CE1 3.77Å |
| 708 | L | 90.2 | Very high | 87.7 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 128.8 | 169.7 | 174.6 | 67.1 | 0 | 0 | 0 | 109.7 | V657 A693 C695 Y699 C700 L702 V710 | V657-L708 HydrophobicContact CG2-CD1 3.72Å; A693-L708 HydrophobicContact CB-CD2 4.07Å; A693-L708 VanDerWaalsContact O-CD2 3.28Å; A693-L708 WeakPolarHBondContact O-CD2 3.02Å; C695-L708 HydrophobicContact CB-CD2 4.22Å; Y699-L708 WeakPolarHBondContact CA-O 3.31Å; C700-L708 HydrophobicContact CB-CB 4.32Å; C700-L708 PolarHBondContact N-O 2.76Å; C700-L708 PolarHBondContact O-N 3.41Å; L702-L708 HydrophobicContact CD1-CB 4.48Å; L702-L708 HydrophobicContact CD2-CB 3.95Å; L702-L708 HydrophobicContact CD2-CD2 4.17Å; L702-L708 HydrophobicContact CG-CB 4.14Å; L708-V710 HydrophobicContact CD1-CG1 4.41Å; L708-V710 HydrophobicContact CD2-CG1 4.18Å; L708-V710 HydrophobicContact CG-CG1 4.06Å |
| 709 | I | 92.7 | Very high | 88 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 116.6 | 178 | -48.7 | 165 | 0 | 0 | 0 | 107.5 | T655 A656 M658 Y699 L707 L712 Y720 L737 | T655-I709 CarbonylContact C-O 3.56Å; T655-I709 WeakPolarHBondContact CA-O 3.39Å; A656-I709 PolarHBondContact N-O 2.83Å; A656-I709 PolarHBondContact O-N 2.92Å; M658-I709 HydrophobicContact CG-CD1 4.09Å; Y699-I709 HydrophobicContact CD1-CG1 4.03Å; Y699-I709 HydrophobicContact CD1-CG2 4.16Å; Y699-I709 HydrophobicContact CE1-CG1 4.22Å; Y699-I709 HydrophobicContact CE1-CG2 3.88Å; L707-I709 HydrophobicContact CD2-CD1 4.21Å; L707-I709 HydrophobicContact CD2-CG1 4.11Å; L707-I709 HydrophobicContact CG-CG1 4.07Å; I709-L712 HydrophobicContact CB-CD2 4.17Å; I709-L712 HydrophobicContact CG2-CD2 3.64Å; I709-Y720 HydrophobicContact CD1-CD1 4.22Å; I709-Y720 HydrophobicContact CD1-CE1 3.57Å; I709-Y720 HydrophobicContact CD1-CE2 4.14Å; I709-Y720 HydrophobicContact CG1-CE1 4.41Å; I709-L737 HydrophobicContact CD1-CD2 3.63Å |
| 710 | V | 89.4 | Confident | 88.2 | Confident | 8 Ų | 8 | 38.2 Ų | 38.2 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | trans | -100.5 | 159.3 | -178.2 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | T655 C695 T697 K698 L708 L712 | T655-V710 HydrophobicContact CG2-CB 4.01Å; T655-V710 HydrophobicContact CG2-CG1 3.85Å; C695-V710 HydrophobicContact CB-CG1 3.76Å; C695-V710 HydrophobicContact CB-CG2 4.04Å; T697-V710 VanDerWaalsContact O-CG2 3.31Å; T697-V710 WeakPolarHBondContact O-CG2 3.44Å; K698-V710 VanDerWaalsContact CD-O 3.22Å; K698-V710 WeakPolarHBondContact CD-O 3.33Å; K698-V710 VanDerWaalsContact CE-O 3.27Å; K698-V710 WeakPolarHBondContact CE-O 3.28Å; K698-V710 PolarHBondContact NZ-O 2.89Å; K698-V710 PolarHBondContact O-N 3.03Å; L708-V710 HydrophobicContact CD1-CG1 4.41Å; L708-V710 HydrophobicContact CD2-CG1 4.18Å; L708-V710 HydrophobicContact CG-CG1 4.06Å; V710-L712 PolarHBondContact O-N 3.46Å | ||
| 711 | D | 87.2 | Confident | 88.5 | Confident | 113 Ų | 113 | 38.9 Ų | 38.9 | 60% | 0.604 | 22% | 0.216 | S | C | * | . | S | Bend | trans | 51.4 | 54.9 | 175.1 | -60.7 | -26.9 | 0 | 0 | 0 | 115.4 | S654 K698 V713 | S654-D711 PolarHBondContact O-N 3.49Å; K698-D711 VanDerWaalsContact NZ-C 3.28Å; K698-D711 PolarHBondContact NZ-O 2.71Å; D711-V713 PolarHBondContact O-N 3.08Å |
| 712 | L | 90.3 | Very high | 89 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | trans | -56.6 | 134.4 | -172.8 | -69.4 | 171.2 | 0 | 0 | 0 | 113.9 | M651 V652 G653 S654 A656 I709 V710 D716 L737 I739 | M651-L712 WeakPolarHBondContact O-CB 3.29Å; V652-L712 CarbonylContact C-O 3.59Å; V652-L712 WeakPolarHBondContact CA-O 3.43Å; G653-L712 PolarHBondContact N-O 3.49Å; S654-L712 WeakPolarHBondContact O-CB 3.37Å; S654-L712 WeakPolarHBondContact O-CG 3.46Å; S654-L712 PolarHBondContact O-N 3.29Å; A656-L712 HydrophobicContact CB-CD1 3.74Å; A656-L712 HydrophobicContact CB-CD2 4.33Å; I709-L712 HydrophobicContact CB-CD2 4.17Å; I709-L712 HydrophobicContact CG2-CD2 3.64Å; V710-L712 PolarHBondContact O-N 3.46Å; L712-D716 WeakPolarHBondContact CA-OD2 3.41Å; L712-D716 HydrophobicContact CD2-CB 4.16Å; L712-L737 HydrophobicContact CD2-CD2 4.09Å; L712-I739 HydrophobicContact CB-CD1 4.18Å; L712-I739 HydrophobicContact CD1-CD1 3.94Å; L712-I739 HydrophobicContact CD2-CD1 3.9Å; L712-I739 HydrophobicContact CG-CD1 4.23Å | ||
| 713 | V | 89.9 | Confident | 89.6 | Confident | 65 Ų | 65 | 37.8 Ų | 37.8 | 39% | 0.394 | 21% | 0.213 | S | C | . | . | trans | -123.2 | 162.4 | 171.9 | -66.3 | 0 | 0 | 0 | 0 | 109.9 | D711 S715 D716 | D711-V713 PolarHBondContact O-N 3.08Å; V713-S715 VanDerWaalsContact CG2-OG 3.28Å; V713-S715 WeakPolarHBondContact CG2-OG 3.47Å; V713-S715 PolarHBondContact O-N 2.95Å; V713-S715 VanDerWaalsContact O-N 3.13Å; V713-D716 VanDerWaalsContact CG2-OD2 3.25Å; V713-D716 WeakPolarHBondContact CG2-OD2 3.38Å; V713-D716 PolarHBondContact N-OD2 2.97Å; V713-D716 WeakPolarHBondContact O-CB 3.38Å; V713-D716 PolarHBondContact O-N 2.89Å | ||
| 714 | E | 85.1 | Confident | 90.5 | Very high | 163 Ų | 163 | 34.4 Ų | 34.4 | 76% | 0.762 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | -57.1 | -31.4 | -177.2 | -169.4 | 173.7 | -173.6 | 0 | 0 | 113 | D716 A717 | E714-D716 VanDerWaalsContact C-N 3.27Å; E714-D716 PolarHBondContact O-N 3.43Å; E714-A717 VanDerWaalsContact O-CB 3.32Å; E714-A717 WeakPolarHBondContact O-CB 3.34Å; E714-A717 PolarHBondContact O-N 2.8Å |
| 715 | S | 88.8 | Confident | 91.4 | Very high | 94 Ų | 94 | 39.6 Ų | 39.6 | 66% | 0.657 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -74.3 | -9.5 | 176.7 | 60.6 | 0 | 0 | 0 | 0 | 114.9 | V713 | V713-S715 VanDerWaalsContact CG2-OG 3.28Å; V713-S715 WeakPolarHBondContact CG2-OG 3.47Å; V713-S715 PolarHBondContact O-N 2.95Å; V713-S715 VanDerWaalsContact O-N 3.13Å |
| 716 | D | 91.8 | Very high | 91.9 | Very high | 10 Ų | 10 | 37.4 Ų | 37.4 | 5% | 0.053 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -80.2 | -10.1 | 174 | -60.9 | -40.8 | 0 | 0 | 0 | 112.1 | H674 K698 L712 V713 E714 Y720 | H674-D716 PolarHBondContact CE1-O 3.45Å; K698-D716 VanDerWaalsContact CE-OD1 3.26Å; K698-D716 WeakPolarHBondContact CE-OD1 3.39Å; K698-D716 WeakPolarHBondContact CE-OD2 3.24Å; K698-D716 IonicContact NZ-OD1 3.08Å; K698-D716 IonicContact NZ-OD2 3.49Å; K698-D716 PolarHBondContact NZ-OD2 2.89Å; L712-D716 WeakPolarHBondContact CA-OD2 3.41Å; L712-D716 HydrophobicContact CD2-CB 4.16Å; V713-D716 VanDerWaalsContact CG2-OD2 3.25Å; V713-D716 WeakPolarHBondContact CG2-OD2 3.38Å; V713-D716 PolarHBondContact N-OD2 2.97Å; V713-D716 WeakPolarHBondContact O-CB 3.38Å; V713-D716 PolarHBondContact O-N 2.89Å; E714-D716 VanDerWaalsContact C-N 3.27Å; E714-D716 PolarHBondContact O-N 3.43Å; D716-Y720 WeakPolarHBondContact O-CE2 3.26Å; D716-Y720 PolarHBondContact O-OH 2.8Å |
| 717 | A | 90.2 | Very high | 92.1 | Very high | 37 Ų | 37 | 43.4 Ų | 43.4 | 31% | 0.306 | 24% | 0.24 | S | C | . | . | trans | -63.3 | 137.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | E714 L737 I739 | E714-A717 VanDerWaalsContact O-CB 3.32Å; E714-A717 WeakPolarHBondContact O-CB 3.34Å; E714-A717 PolarHBondContact O-N 2.8Å; A717-L737 VanDerWaalsContact CA-O 3.3Å; A717-L737 WeakPolarHBondContact CA-O 3.31Å; A717-I739 HydrophobicContact CB-CB 4.32Å; A717-I739 HydrophobicContact CB-CG1 3.79Å | ||
| 718 | G | 93.1 | Very high | 92.1 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 10% | 0.103 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.3 | -174.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | L736 L737 | G718-L736 VanDerWaalsContact C-CD1 3.46Å; G718-L736 WeakPolarHBondContact O-CA 3.23Å; G718-L736 WeakPolarHBondContact O-CD1 3.21Å; G718-L737 PolarHBondContact N-O 2.89Å; G718-L737 VanDerWaalsContact N-O 3.13Å; G718-L737 PolarHBondContact O-N 3.39Å |
| 719 | Q | 96 | Very high | 92.3 | Very high | 100 Ų | 100 | 48.4 Ų | 48.4 | 47% | 0.467 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 121.6 | 178.4 | -175.3 | 171.2 | 55.1 | 0 | 0 | 110.2 | H674 D675 A735 | H674-Q719 WeakPolarHBondContact CA-O 3.45Å; D675-Q719 PolarHBondContact N-O 2.67Å; D675-Q719 PolarHBondContact OD1-N 3.13Å; Q719-A735 WeakPolarHBondContact CA-O 3.27Å |
| 720 | Y | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 130 | 172.3 | -71.8 | -100.4 | 0 | 0 | 0 | 109.8 | M658 L673 H674 L679 Y699 L707 I709 D716 S734 A735 L737 | M658-Y720 HydrophobicContact CG-CG 4.19Å; L673-Y720 CarbonylContact O-C 3.57Å; L673-Y720 VanDerWaalsContact O-CA 3.27Å; L673-Y720 WeakPolarHBondContact O-CA 3.25Å; H674-Y720 HydrophobicContact CB-CD1 4.14Å; H674-Y720 HydrophobicContact CB-CE1 3.87Å; H674-Y720 AromaticContact CE1-CE2 3.73Å; H674-Y720 AromaticContact CE1-CZ 3.76Å; H674-Y720 AromaticContact CG-CE1 3.96Å; H674-Y720 AromaticContact CG-CZ 3.83Å; H674-Y720 AromaticContact ND1-CD2 3.8Å; H674-Y720 AromaticContact ND1-CE1 3.68Å; H674-Y720 AromaticContact ND1-CE2 3.23Å; H674-Y720 WeakPolarHBondContact ND1-CE2 3.19Å; H674-Y720 AromaticContact ND1-CZ 3.17Å; H674-Y720 PolarHBondContact ND1-OH 2.85Å; L679-Y720 HydrophobicContact CD1-CD1 4.09Å; L679-Y720 HydrophobicContact CD1-CE1 3.9Å; Y699-Y720 HydrophobicContact CE1-CE1 4.15Å; L707-Y720 HydrophobicContact CD2-CD1 3.46Å; L707-Y720 VanDerWaalsContact CD2-CD1 3.46Å; L707-Y720 HydrophobicContact CD2-CE1 3.77Å; I709-Y720 HydrophobicContact CD1-CD1 4.22Å; I709-Y720 HydrophobicContact CD1-CE1 3.57Å; I709-Y720 HydrophobicContact CD1-CE2 4.14Å; I709-Y720 HydrophobicContact CG1-CE1 4.41Å; D716-Y720 WeakPolarHBondContact O-CE2 3.26Å; D716-Y720 PolarHBondContact O-OH 2.8Å; Y720-S734 CarbonylContact O-C 3.55Å; Y720-S734 VanDerWaalsContact O-CA 3.25Å; Y720-S734 WeakPolarHBondContact O-CA 3.38Å; Y720-A735 PolarHBondContact N-O 2.96Å; Y720-A735 PolarHBondContact O-N 2.91Å; Y720-L737 HydrophobicContact CD2-CB 3.84Å; Y720-L737 HydrophobicContact CD2-CD2 4.47Å; Y720-L737 HydrophobicContact CE2-CB 3.73Å; Y720-L737 HydrophobicContact CE2-CD2 3.74Å; Y720-L737 HydrophobicContact CE2-CG 4.38Å |
| 721 | T | 96.6 | Very high | 92.7 | Very high | 15 Ų | 15 | 55.8 Ų | 55.8 | 9% | 0.092 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.8 | -178.3 | -56.2 | 0 | 0 | 0 | 0 | 109.9 | W672 L673 I723 E732 S733 S734 | W672-T721 CarbonylContact C-O 3.6Å; W672-T721 WeakPolarHBondContact CA-O 3.43Å; L673-T721 HydrophobicContact CD1-CG2 4.1Å; L673-T721 PolarHBondContact N-O 3.48Å; L673-T721 PolarHBondContact O-N 3.16Å; T721-I723 HydrophobicContact CG2-CG1 4.28Å; T721-E732 HydrophobicContact CG2-CB 4.17Å; T721-S733 WeakPolarHBondContact CA-O 3.47Å; T721-S734 WeakPolarHBondContact CB-OG 3.25Å; T721-S734 WeakPolarHBondContact CG2-OG 3.07Å; T721-S734 PolarHBondContact OG1-OG 3.21Å |
| 722 | C | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 127.6 | 171.5 | -169.1 | 0 | 0 | 0 | 0 | 110.3 | F640 V645 C660 V670 W672 E732 S733 | F640-C722 HydrophobicContact CE1-CB 4.4Å; F640-C722 HydrophobicContact CZ-CB 4.09Å; V645-C722 HydrophobicContact CG2-CB 4.01Å; C660-C722 HydrophobicContact CB-CB 3.61Å; C660-C722 WeakPolarHBondContact CB-SG 3.11Å; C660-C722 WeakPolarHBondContact SG-CB 3.49Å; C660-C722 CovalentContact SG-SG 2.01Å; C660-C722 PolarHBondContact SG-SG 2.8Å; V670-C722 WeakPolarHBondContact CG1-SG 3.44Å; W672-C722 HydrophobicContact CD2-CB 4.04Å; W672-C722 HydrophobicContact CE3-CB 3.93Å; W672-C722 HydrophobicContact CH2-CB 3.79Å; W672-C722 HydrophobicContact CZ2-CB 3.91Å; W672-C722 HydrophobicContact CZ3-CB 3.79Å; C722-E732 CarbonylContact O-C 3.58Å; C722-E732 WeakPolarHBondContact O-CA 3.47Å; C722-S733 PolarHBondContact N-O 2.84Å; C722-S733 PolarHBondContact O-N 2.75Å |
| 723 | I | 95.4 | Very high | 93.4 | Very high | 36 Ų | 36 | 57.5 Ų | 57.5 | 19% | 0.185 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124.5 | 175.5 | -56.5 | -172.3 | 0 | 0 | 0 | 109.1 | V670 E671 L673 T721 A731 E732 | V670-I723 CarbonylContact C-O 3.53Å; V670-I723 VanDerWaalsContact CA-O 3.24Å; V670-I723 WeakPolarHBondContact CA-O 3.45Å; E671-I723 PolarHBondContact N-O 2.96Å; E671-I723 PolarHBondContact O-N 2.83Å; L673-I723 HydrophobicContact CD1-CD1 3.39Å; L673-I723 HydrophobicContact CD1-CG1 3.69Å; T721-I723 HydrophobicContact CG2-CG1 4.28Å; I723-A731 WeakPolarHBondContact CA-O 3.46Å; I723-E732 HydrophobicContact CG1-CB 3.97Å |
| 724 | A | 94.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 133.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | P638 F640 P662 M668 T669 V670 Q730 A731 | P638-A724 HydrophobicContact CB-CB 3.79Å; P638-A724 HydrophobicContact CG-CB 4.48Å; F640-A724 HydrophobicContact CE2-CB 4.09Å; F640-A724 HydrophobicContact CZ-CB 4.08Å; P662-A724 HydrophobicContact CB-CB 3.93Å; P662-A724 HydrophobicContact CG-CB 3.65Å; M668-A724 HydrophobicContact SD-CB 3.85Å; T669-A724 CarbonylContact O-C 3.47Å; T669-A724 WeakPolarHBondContact O-CA 3.43Å; V670-A724 HydrophobicContact CG2-CB 4.23Å; A724-Q730 CarbonylContact O-C 3.59Å; A724-Q730 WeakPolarHBondContact O-CA 3.49Å; A724-A731 PolarHBondContact N-O 2.93Å; A724-A731 PolarHBondContact O-N 3.23Å |
| 725 | K | 94.4 | Very high | 94.1 | Very high | 114 Ų | 114 | 49.1 Ų | 49.1 | 50% | 0.496 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 133.2 | -174.8 | -177.9 | 177.6 | 179.8 | 178.1 | 0 | 113.4 | M668 T669 G729 Q730 | M668-K725 CarbonylContact C-O 3.58Å; M668-K725 VanDerWaalsContact CA-O 3.26Å; M668-K725 WeakPolarHBondContact CA-O 3.47Å; M668-K725 WeakPolarHBondContact CB-O 3.5Å; T669-K725 PolarHBondContact N-O 2.86Å; T669-K725 PolarHBondContact O-N 2.71Å; T669-K725 PolarHBondContact OG1-O 2.94Å; K725-G729 WeakPolarHBondContact CA-O 3.35Å; K725-Q730 HydrophobicContact CB-CB 4.12Å; K725-Q730 HydrophobicContact CG-CB 4.2Å |
| 726 | N | 92.9 | Very high | 94.3 | Very high | 16 Ų | 16 | 49 Ų | 49 | 9% | 0.086 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | -169.3 | 167.4 | 74.4 | 8 | 0 | 0 | 0 | 111.1 | L636 P638 A665 P666 M668 L728 G729 | L636-N726 PolarHBondContact O-ND2 3.35Å; P638-N726 WeakPolarHBondContact CD-OD1 3.36Å; P638-N726 HydrophobicContact CG-CB 4.29Å; A665-N726 PolarHBondContact O-ND2 3.44Å; P666-N726 PolarHBondContact O-ND2 2.9Å; M668-N726 HydrophobicContact CB-CB 3.98Å; N726-L728 PolarHBondContact O-N 3.34Å; N726-L728 WeakPolarHBondContact OD1-CA 3.33Å; N726-L728 WeakPolarHBondContact OD1-CB 3.39Å; N726-L728 PolarHBondContact OD1-N 3.35Å; N726-G729 PolarHBondContact N-O 2.9Å; N726-G729 PolarHBondContact O-N 3.48Å; N726-G729 PolarHBondContact OD1-N 3.15Å |
| 727 | T | 91.6 | Very high | 94.3 | Very high | 125 Ų | 125 | 48.6 Ų | 48.6 | 77% | 0.767 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -16.8 | -179.5 | 50.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 728 | L | 91.9 | Very high | 94.2 | Very high | 81 Ų | 81 | 49.5 Ų | 49.5 | 42% | 0.424 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -21.7 | -176.8 | -60.6 | 168.7 | 0 | 0 | 0 | 113 | E635 A637 A665 N726 | E635-L728 HydrophobicContact CG-CD1 3.7Å; E635-L728 HydrophobicContact CG-CD2 4.47Å; A637-L728 HydrophobicContact CB-CB 3.9Å; A665-L728 WeakPolarHBondContact O-CD1 3.36Å; N726-L728 PolarHBondContact O-N 3.34Å; N726-L728 WeakPolarHBondContact OD1-CA 3.33Å; N726-L728 WeakPolarHBondContact OD1-CB 3.39Å; N726-L728 PolarHBondContact OD1-N 3.35Å |
| 729 | G | 94.3 | Very high | 94 | Very high | 29 Ų | 29 | 50 Ų | 50 | 30% | 0.299 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.4 | -167.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P638 K725 N726 | P638-G729 WeakPolarHBondContact CD-O 3.14Å; K725-G729 WeakPolarHBondContact CA-O 3.35Å; N726-G729 PolarHBondContact N-O 2.9Å; N726-G729 PolarHBondContact O-N 3.48Å; N726-G729 PolarHBondContact OD1-N 3.15Å |
| 730 | Q | 95.5 | Very high | 93.3 | Very high | 136 Ų | 136 | 45.6 Ų | 45.6 | 64% | 0.636 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 150.7 | 176.7 | 71.7 | -174 | 17.5 | 0 | 0 | 111.5 | A724 K725 | A724-Q730 CarbonylContact O-C 3.59Å; A724-Q730 WeakPolarHBondContact O-CA 3.49Å; K725-Q730 HydrophobicContact CB-CB 4.12Å; K725-Q730 HydrophobicContact CG-CB 4.2Å |
| 731 | A | 95.6 | Very high | 92.4 | Very high | 27 Ų | 27 | 49.3 Ų | 49.3 | 22% | 0.223 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 159.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | P638 F640 I723 A724 | P638-A731 HydrophobicContact CB-CB 4.36Å; P638-A731 WeakPolarHBondContact O-CB 3.26Å; F640-A731 HydrophobicContact CD2-CB 4.1Å; F640-A731 HydrophobicContact CE2-CB 4.33Å; I723-A731 WeakPolarHBondContact CA-O 3.46Å; A724-A731 PolarHBondContact N-O 2.93Å; A724-A731 PolarHBondContact O-N 3.23Å |
| 732 | E | 95.7 | Very high | 91.3 | Very high | 131 Ų | 131 | 53.8 Ų | 53.8 | 61% | 0.612 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 153.1 | 179.1 | 67 | -174.8 | -155.5 | 0 | 0 | 111.9 | T721 C722 I723 | T721-E732 HydrophobicContact CG2-CB 4.17Å; C722-E732 CarbonylContact O-C 3.58Å; C722-E732 WeakPolarHBondContact O-CA 3.47Å; I723-E732 HydrophobicContact CG1-CB 3.97Å |
| 733 | S | 95.8 | Very high | 90.4 | Very high | 18 Ų | 18 | 54.3 Ų | 54.3 | 13% | 0.126 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 143 | 174 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | V645 T721 C722 | V645-S733 PolarHBondContact N-OG 2.87Å; T721-S733 WeakPolarHBondContact CA-O 3.47Å; C722-S733 PolarHBondContact N-O 2.84Å; C722-S733 PolarHBondContact O-N 2.75Å |
| 734 | S | 95.8 | Very high | 89.7 | Confident | 46 Ų | 46 | 59.3 Ų | 59.3 | 32% | 0.322 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 145.2 | -170.6 | -52.9 | 0 | 0 | 0 | 0 | 112 | Y720 T721 | Y720-S734 CarbonylContact O-C 3.55Å; Y720-S734 VanDerWaalsContact O-CA 3.25Å; Y720-S734 WeakPolarHBondContact O-CA 3.38Å; T721-S734 WeakPolarHBondContact CB-OG 3.25Å; T721-S734 WeakPolarHBondContact CG2-OG 3.07Å; T721-S734 PolarHBondContact OG1-OG 3.21Å |
| 735 | A | 94.8 | Very high | 89.1 | Confident | 7 Ų | 7 | 61.1 Ų | 61.1 | 6% | 0.058 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 164.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V645 M646 M658 Q719 Y720 | V645-A735 HydrophobicContact CB-CB 4.2Å; V645-A735 HydrophobicContact CG1-CB 3.65Å; V645-A735 WeakPolarHBondContact O-CB 3.34Å; M646-A735 VanDerWaalsContact O-CB 3.28Å; M646-A735 WeakPolarHBondContact O-CB 3.14Å; M658-A735 HydrophobicContact CE-CB 4.02Å; Q719-A735 WeakPolarHBondContact CA-O 3.27Å; Y720-A735 PolarHBondContact N-O 2.96Å; Y720-A735 PolarHBondContact O-N 2.91Å |
| 736 | L | 92.9 | Very high | 88.7 | Confident | 91 Ų | 91 | 58.2 Ų | 58.2 | 48% | 0.476 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 134.2 | -179.3 | -169.7 | 71.5 | 0 | 0 | 0 | 111.2 | P647 N648 G718 | P647-L736 WeakPolarHBondContact CA-O 3.4Å; N648-L736 PolarHBondContact N-O 2.92Å; G718-L736 VanDerWaalsContact C-CD1 3.46Å; G718-L736 WeakPolarHBondContact O-CA 3.23Å; G718-L736 WeakPolarHBondContact O-CD1 3.21Å |
| 737 | L | 92.3 | Very high | 88.4 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121.4 | 163.2 | 179.1 | 61.7 | 0 | 0 | 0 | 109.2 | N648 A656 M658 I709 L712 A717 G718 Y720 I739 | N648-L737 HydrophobicContact CB-CD1 4.16Å; N648-L737 WeakPolarHBondContact O-CA 3.49Å; A656-L737 HydrophobicContact CB-CD1 3.95Å; A656-L737 HydrophobicContact CB-CD2 4.46Å; M658-L737 HydrophobicContact SD-CB 4.17Å; M658-L737 HydrophobicContact SD-CD1 4.27Å; I709-L737 HydrophobicContact CD1-CD2 3.63Å; L712-L737 HydrophobicContact CD2-CD2 4.09Å; A717-L737 VanDerWaalsContact CA-O 3.3Å; A717-L737 WeakPolarHBondContact CA-O 3.31Å; G718-L737 PolarHBondContact N-O 2.89Å; G718-L737 VanDerWaalsContact N-O 3.13Å; G718-L737 PolarHBondContact O-N 3.39Å; Y720-L737 HydrophobicContact CD2-CB 3.84Å; Y720-L737 HydrophobicContact CD2-CD2 4.47Å; Y720-L737 HydrophobicContact CE2-CB 3.73Å; Y720-L737 HydrophobicContact CE2-CD2 3.74Å; Y720-L737 HydrophobicContact CE2-CG 4.38Å; L737-I739 HydrophobicContact CD1-CD1 4.35Å; L737-I739 HydrophobicContact CD2-CD1 4.08Å; L737-I739 HydrophobicContact CG-CD1 3.93Å |
| 738 | T | 88.3 | Confident | 88.3 | Confident | 57 Ų | 57 | 58.3 Ų | 58.3 | 35% | 0.35 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 132.2 | 177.4 | -53.6 | 0 | 0 | 0 | 0 | 110.5 | N648 E649 G650 | N648-T738 PolarHBondContact O-N 3.16Å; E649-T738 WeakPolarHBondContact CA-O 3.45Å; G650-T738 PolarHBondContact N-O 3.49Å |
| 739 | I | 87 | Confident | 88.2 | Confident | 21 Ų | 21 | 54.9 Ų | 54.9 | 11% | 0.108 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 126 | -177.5 | -54.7 | -59.8 | 0 | 0 | 0 | 111.1 | G650 V652 L712 A717 L737 | G650-I739 CarbonylContact O-C 3.5Å; G650-I739 VanDerWaalsContact O-CA 3.27Å; G650-I739 WeakPolarHBondContact O-CA 3.36Å; V652-I739 HydrophobicContact CG2-CG2 3.54Å; L712-I739 HydrophobicContact CB-CD1 4.18Å; L712-I739 HydrophobicContact CD1-CD1 3.94Å; L712-I739 HydrophobicContact CD2-CD1 3.9Å; L712-I739 HydrophobicContact CG-CD1 4.23Å; A717-I739 HydrophobicContact CB-CB 4.32Å; A717-I739 HydrophobicContact CB-CG1 3.79Å; L737-I739 HydrophobicContact CD1-CD1 4.35Å; L737-I739 HydrophobicContact CD2-CD1 4.08Å; L737-I739 HydrophobicContact CG-CD1 3.93Å |
| 740 | I | 82.6 | Confident | 87.8 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 131.7 | -173.2 | -55.1 | 173 | 0 | 0 | 0 | 110.6 | E649 G650 V652 L772 L834 | E649-I740 HydrophobicContact CB-CD1 4.17Å; G650-I740 PolarHBondContact O-N 3.2Å; V652-I740 PolarHBondContact N-O 3.22Å; V652-I740 VanDerWaalsContact N-O 3.16Å; I740-L772 HydrophobicContact CG2-CD1 3.82Å; I740-L772 HydrophobicContact CG2-CG 4.34Å; I740-L834 HydrophobicContact CB-CD1 4.32Å; I740-L834 HydrophobicContact CD1-CD1 3.84Å; I740-L834 HydrophobicContact CG2-CD1 4.4Å |
| 741 | P | 77 | Confident | 87.3 | Confident | 79 Ų | 79 | 55.3 Ų | 55.3 | 51% | 0.513 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 157.4 | 179.2 | 29.5 | -35.5 | 0 | 0 | 0 | 113.2 | ||
| 742 | Q | 73.3 | Confident | 86.7 | Confident | 108 Ų | 108 | 62.4 Ų | 62.4 | 51% | 0.505 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 155.4 | -179.5 | -63.2 | -167.5 | -10.4 | 0 | 0 | 113.9 | M651 V652 | M651-Q742 HydrophobicContact CG-CG 4.29Å; M651-Q742 HydrophobicContact SD-CG 4.14Å; V652-Q742 PolarHBondContact O-NE2 3Å |
| 743 | L | 78 | Confident | 86 | Confident | 12 Ų | 12 | 60.9 Ų | 60.9 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 140.1 | 180 | -169.8 | 74.1 | 0 | 0 | 0 | 112.6 | V766 S768 V774 A830 T832 Q837 | L743-V766 HydrophobicContact CD1-CB 4.07Å; L743-V766 HydrophobicContact CD1-CG2 3.6Å; L743-V766 HydrophobicContact CD2-CG1 4.4Å; L743-V766 HydrophobicContact CD2-CG2 4.45Å; L743-V766 HydrophobicContact CG-CB 4.25Å; L743-V766 HydrophobicContact CG-CG2 4.24Å; L743-S768 VanDerWaalsContact CD1-CB 3.48Å; L743-V774 HydrophobicContact CD1-CG2 4.25Å; L743-A830 HydrophobicContact CD2-CB 3.98Å; L743-A830 VanDerWaalsContact CD2-O 3.25Å; L743-A830 WeakPolarHBondContact CD2-O 3.49Å; L743-T832 HydrophobicContact CD1-CG2 4.06Å; L743-Q837 HydrophobicContact CB-CG 4.46Å; L743-Q837 HydrophobicContact CD2-CB 4.32Å; L743-Q837 HydrophobicContact CD2-CG 4.43Å |
| 744 | K | 80.2 | Confident | 85.6 | Confident | 140 Ų | 140 | 60.7 Ų | 60.7 | 61% | 0.609 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 130.9 | 177.2 | -170 | 177 | -177.8 | 177.5 | 0 | 113.5 | V766 Q767 | K744-V766 CarbonylContact O-C 3.52Å; K744-V766 WeakPolarHBondContact O-CA 3.42Å; K744-V766 WeakPolarHBondContact O-CB 3.24Å; K744-Q767 PolarHBondContact N-O 3.09Å; K744-Q767 PolarHBondContact O-N 2.88Å |
| 745 | M | 81 | Confident | 84.9 | Confident | 38 Ų | 38 | 65.4 Ų | 65.4 | 19% | 0.187 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 132.7 | 175.6 | -73.1 | -158.1 | 158.6 | 0 | 0 | 112.7 | T748 V766 A830 Q837 | M745-T748 HydrophobicContact CB-CG2 4.38Å; M745-T748 HydrophobicContact SD-CG2 4.09Å; M745-V766 HydrophobicContact CE-CG1 4.43Å; M745-V766 HydrophobicContact CG-CG1 3.97Å; M745-A830 HydrophobicContact CE-CB 4.12Å; M745-Q837 HydrophobicContact CE-CB 4.26Å; M745-Q837 WeakPolarHBondContact CE-O 3.22Å; M745-Q837 HydrophobicContact CG-CB 4.11Å |
| 746 | S | 85.5 | Confident | 84.3 | Confident | 53 Ų | 53 | 68.6 Ų | 68.6 | 37% | 0.371 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -28.5 | -179.5 | 172.1 | 0 | 0 | 0 | 0 | 113.9 | R765 | S746-R765 PolarHBondContact N-O 2.88Å |
| 747 | L | 87.9 | Confident | 83.8 | Confident | 81 Ų | 81 | 68.8 Ų | 68.8 | 42% | 0.424 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 138.4 | 171.4 | -65.5 | 170.7 | 0 | 0 | 0 | 109.6 | C764 R765 | L747-C764 WeakPolarHBondContact O-CA 3.34Å; L747-R765 HydrophobicContact CB-CB 3.75Å; L747-R765 HydrophobicContact CD1-CB 3.93Å; L747-R765 HydrophobicContact CG-CB 4.02Å; L747-R765 PolarHBondContact N-O 3.04Å; L747-R765 PolarHBondContact O-N 2.86Å |
| 748 | T | 89.1 | Confident | 83.4 | Confident | 62 Ų | 62 | 70.6 Ų | 70.6 | 38% | 0.38 | 36% | 0.362 | S | S | . | . | trans | -130 | 155.3 | -175.9 | 55.2 | 0 | 0 | 0 | 0 | 112 | M745 P763 S839 | M745-T748 HydrophobicContact CB-CG2 4.38Å; M745-T748 HydrophobicContact SD-CG2 4.09Å; T748-P763 CarbonylContact C-O 3.6Å; T748-P763 VanDerWaalsContact C-O 3.27Å; T748-S839 WeakPolarHBondContact CB-OG 3.44Å; T748-S839 WeakPolarHBondContact CG2-OG 3.33Å | ||
| 749 | P | 90 | Very high | 83.3 | Confident | 9 Ų | 9 | 71.6 Ų | 71.6 | 6% | 0.058 | 37% | 0.368 | C | S | . | . | trans | -65.5 | 151.7 | -178 | 21.1 | -31 | 0 | 0 | 0 | 114.5 | L762 P763 W778 | P749-L762 HydrophobicContact CB-CB 4.35Å; P749-P763 WeakPolarHBondContact CD-O 3.34Å; P749-P763 VanDerWaalsContact N-O 3.16Å; P749-W778 HydrophobicContact CB-CH2 4Å; P749-W778 HydrophobicContact CB-CZ3 4.29Å; P749-W778 HydrophobicContact CG-CH2 4.05Å; P749-W778 HydrophobicContact CG-CZ3 4.19Å | ||
| 750 | I | 85.3 | Confident | 83.3 | Confident | 103 Ų | 103 | 71.5 Ų | 71.5 | 53% | 0.528 | 37% | 0.369 | S | S | . | . | trans | -125.5 | 138.1 | -176.6 | -53.4 | 166.9 | 0 | 0 | 0 | 110.9 | ||||
| 751 | S | 84.5 | Confident | 83.6 | Confident | 72 Ų | 72 | 75.8 Ų | 75.8 | 50% | 0.503 | 39% | 0.391 | S | S | . | . | trans | -73.7 | 133.2 | -180 | -53.5 | 0 | 0 | 0 | 0 | 114.1 | V842 | S751-V842 CarbonylContact C-O 3.59Å; S751-V842 WeakPolarHBondContact CA-O 3.32Å; S751-V842 VanDerWaalsContact CB-O 3.24Å; S751-V842 WeakPolarHBondContact CB-O 3.49Å; S751-V842 PolarHBondContact OG-N 3.43Å | ||
| 752 | R | 84.4 | Confident | 84.2 | Confident | 176 Ų | 176 | 72.2 Ų | 72.2 | 66% | 0.664 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 163.6 | -177.4 | -69.2 | -167.9 | 166.1 | -176 | -5.1 | 114.6 | V842 I843 R844 | R752-V842 PolarHBondContact N-O 2.9Å; R752-I843 HydrophobicContact CB-CD1 4.27Å; R752-I843 WeakPolarHBondContact O-CA 3.12Å; R752-R844 PolarHBondContact O-N 2.95Å |
| 753 | V | 81.4 | Confident | 85 | Confident | 98 Ų | 98 | 69 Ų | 69 | 59% | 0.594 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 135.5 | 171.9 | -178 | 0 | 0 | 0 | 0 | 110.3 | R844 | V753-R844 CarbonylContact C-O 3.59Å; V753-R844 VanDerWaalsContact CA-O 3.26Å; V753-R844 WeakPolarHBondContact CA-O 3.48Å; V753-R844 HydrophobicContact CG2-CB 4.28Å |
| 754 | V | 85.7 | Confident | 85.6 | Confident | 14 Ų | 14 | 68.4 Ų | 68.4 | 9% | 0.085 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 150.9 | -171.7 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | S758 V760 V818 I843 R844 I845 A846 | V754-S758 WeakPolarHBondContact CG1-OG 3.12Å; V754-V760 HydrophobicContact CG1-CB 4.46Å; V754-V760 HydrophobicContact CG2-CB 4.29Å; V754-V760 HydrophobicContact CG2-CG2 4.16Å; V754-V818 HydrophobicContact CG1-CB 4.34Å; V754-V818 HydrophobicContact CG1-CG1 4.17Å; V754-V818 HydrophobicContact CG1-CG2 4.29Å; V754-I843 HydrophobicContact CB-CG2 4.09Å; V754-I843 HydrophobicContact CG2-CD1 4.24Å; V754-I843 HydrophobicContact CG2-CG2 3.74Å; V754-R844 PolarHBondContact N-O 2.89Å; V754-I845 CarbonylContact O-C 3.19Å; V754-I845 VanDerWaalsContact O-CA 3.25Å; V754-I845 WeakPolarHBondContact O-CA 3.22Å; V754-A846 PolarHBondContact O-N 2.84Å |
| 755 | Y | 82.6 | Confident | 86.1 | Confident | 146 Ų | 146 | 66 Ų | 66 | 57% | 0.573 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 144.7 | 178.1 | -63.3 | -79.8 | 0 | 0 | 0 | 111.1 | N757 S758 A846 F878 | Y755-N757 PolarHBondContact O-N 3.17Å; Y755-S758 PolarHBondContact N-OG 3.05Å; Y755-S758 WeakPolarHBondContact O-CB 3.37Å; Y755-S758 PolarHBondContact O-N 3.35Å; Y755-S758 VanDerWaalsContact O-N 3.07Å; Y755-S758 PolarHBondContact O-OG 3.31Å; Y755-A846 HydrophobicContact CD1-CB 4.05Å; Y755-A846 HydrophobicContact CE1-CB 4.34Å; Y755-F878 HydrophobicContact CE1-CE2 4.48Å; Y755-F878 HydrophobicContact CE1-CZ 4.48Å |
| 756 | R | 82 | Confident | 86.3 | Confident | 74 Ų | 74 | 64.3 Ų | 64.3 | 28% | 0.279 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 136.1 | 171.5 | -170.1 | -172.7 | 179.9 | -179 | 6.2 | 109.8 | S758 V818 I845 A846 | R756-S758 VanDerWaalsContact C-N 3.29Å; R756-S758 PolarHBondContact O-N 3.41Å; R756-V818 CarbonylContact C-O 3.55Å; R756-V818 VanDerWaalsContact CA-O 3.27Å; R756-V818 WeakPolarHBondContact CA-O 3.47Å; R756-I845 HydrophobicContact CB-CG2 4.31Å; R756-A846 WeakPolarHBondContact CB-O 3.34Å; R756-A846 PolarHBondContact N-O 3.05Å |
| 757 | N | 81.8 | Confident | 86.2 | Confident | 95 Ų | 95 | 67.2 Ų | 67.2 | 51% | 0.508 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 7.2 | -176.6 | -51.7 | -21.4 | 0 | 0 | 0 | 116.4 | Y755 N817 V818 Q819 | Y755-N757 PolarHBondContact O-N 3.17Å; N757-N817 VanDerWaalsContact CA-OD1 3.25Å; N757-N817 WeakPolarHBondContact CA-OD1 3.23Å; N757-N817 VanDerWaalsContact CB-OD1 3.24Å; N757-N817 WeakPolarHBondContact CB-OD1 3.41Å; N757-N817 PolarHBondContact OD1-OD1 3.28Å; N757-N817 VanDerWaalsContact OD1-OD1 3.1Å; N757-V818 PolarHBondContact N-O 2.84Å; N757-Q819 PolarHBondContact OD1-NE2 2.98Å |
| 758 | S | 84.8 | Confident | 85.6 | Confident | 38 Ų | 38 | 64.6 Ų | 64.6 | 27% | 0.266 | 33% | 0.328 | S | S | . | . | trans | -87.5 | 175.9 | 174.1 | 69.3 | 0 | 0 | 0 | 0 | 112.7 | V754 Y755 R756 N817 V818 | V754-S758 WeakPolarHBondContact CG1-OG 3.12Å; Y755-S758 PolarHBondContact N-OG 3.05Å; Y755-S758 WeakPolarHBondContact O-CB 3.37Å; Y755-S758 PolarHBondContact O-N 3.35Å; Y755-S758 VanDerWaalsContact O-N 3.07Å; Y755-S758 PolarHBondContact O-OG 3.31Å; R756-S758 VanDerWaalsContact C-N 3.29Å; R756-S758 PolarHBondContact O-N 3.41Å; S758-N817 PolarHBondContact O-N 3.18Å; S758-V818 WeakPolarHBondContact O-CG2 3.26Å; S758-V818 PolarHBondContact O-N 2.84Å | ||
| 759 | T | 86 | Confident | 84.9 | Confident | 79 Ų | 79 | 62.9 Ų | 62.9 | 49% | 0.485 | 32% | 0.318 | S | S | . | . | trans | -113.9 | 133.6 | 177.6 | -59.8 | 0 | 0 | 0 | 0 | 110.5 | K814 I815 V816 | T759-K814 HydrophobicContact CG2-CG 4.03Å; T759-I815 CarbonylContact C-O 3.54Å; T759-I815 WeakPolarHBondContact CA-O 3.46Å; T759-I815 WeakPolarHBondContact CG2-O 3.45Å; T759-V816 HydrophobicContact CG2-CB 4.42Å; T759-V816 HydrophobicContact CG2-CG1 3.65Å | ||
| 760 | V | 87 | Confident | 84 | Confident | 19 Ų | 19 | 67.1 Ų | 67.1 | 12% | 0.115 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 145.7 | 178.1 | 63.1 | 0 | 0 | 0 | 0 | 111.6 | V754 K814 I815 V818 I843 | V754-V760 HydrophobicContact CG1-CB 4.46Å; V754-V760 HydrophobicContact CG2-CB 4.29Å; V754-V760 HydrophobicContact CG2-CG2 4.16Å; V760-K814 WeakPolarHBondContact O-CA 3.41Å; V760-I815 HydrophobicContact CG1-CB 3.8Å; V760-I815 HydrophobicContact CG1-CD1 4.17Å; V760-I815 HydrophobicContact CG1-CG1 4.26Å; V760-I815 PolarHBondContact N-O 3.27Å; V760-I815 PolarHBondContact O-N 3.06Å; V760-V818 HydrophobicContact CG1-CG2 3.92Å; V760-I843 HydrophobicContact CG2-CD1 4.25Å |
| 761 | L | 89 | Confident | 83.2 | Confident | 96 Ų | 96 | 70.8 Ų | 70.8 | 50% | 0.503 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 122.6 | 173.7 | -65.2 | 174.8 | 0 | 0 | 0 | 109.7 | T812 L813 K814 | L761-T812 HydrophobicContact CB-CG2 4.38Å; L761-T812 HydrophobicContact CD2-CG2 4.45Å; L761-L813 CarbonylContact C-O 3.57Å; L761-L813 WeakPolarHBondContact CA-O 3.44Å; L761-K814 HydrophobicContact CD2-CB 3.48Å; L761-K814 VanDerWaalsContact CD2-CB 3.48Å; L761-K814 HydrophobicContact CD2-CD 4.01Å; L761-K814 HydrophobicContact CD2-CG 3.53Å |
| 762 | L | 89.4 | Confident | 82.5 | Confident | 3 Ų | 3 | 68.4 Ų | 68.4 | 2% | 0.016 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 112.5 | 174.7 | -64.7 | 176.4 | 0 | 0 | 0 | 109.7 | P749 W778 T812 L813 I815 Y826 I843 | P749-L762 HydrophobicContact CB-CB 4.35Å; L762-W778 HydrophobicContact CB-CH2 3.66Å; L762-W778 HydrophobicContact CB-CZ2 4.34Å; L762-W778 HydrophobicContact CB-CZ3 4.19Å; L762-W778 HydrophobicContact CD1-CH2 4.45Å; L762-W778 HydrophobicContact CD1-CZ3 4.13Å; L762-T812 CarbonylContact O-C 3.52Å; L762-T812 WeakPolarHBondContact O-CA 3.33Å; L762-T812 VanDerWaalsContact O-CG2 3.3Å; L762-T812 WeakPolarHBondContact O-CG2 3.49Å; L762-L813 HydrophobicContact CB-CB 4.26Å; L762-L813 HydrophobicContact CD1-CD2 4.39Å; L762-L813 PolarHBondContact N-O 3.07Å; L762-L813 PolarHBondContact O-N 2.84Å; L762-I815 HydrophobicContact CD1-CD1 4.41Å; L762-Y826 HydrophobicContact CD1-CD1 4.17Å; L762-Y826 HydrophobicContact CD1-CD2 4.04Å; L762-Y826 HydrophobicContact CD1-CG 3.65Å; L762-I843 HydrophobicContact CD2-CD1 4.03Å; L762-I843 HydrophobicContact CD2-CG1 4.31Å |
| 763 | P | 90.1 | Very high | 81.9 | Confident | 41 Ų | 41 | 65.8 Ų | 65.8 | 27% | 0.266 | 34% | 0.337 | S | S | . | . | trans | -71.3 | 140.8 | -174.9 | 28.2 | -33.9 | 0 | 0 | 0 | 112 | T748 P749 | T748-P763 CarbonylContact C-O 3.6Å; T748-P763 VanDerWaalsContact C-O 3.27Å; P749-P763 WeakPolarHBondContact CD-O 3.34Å; P749-P763 VanDerWaalsContact N-O 3.16Å | ||
| 764 | C | 90.9 | Very high | 81.7 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -151.5 | 126.6 | 168 | -173 | 0 | 0 | 0 | 0 | 110.5 | L747 W778 G811 C828 | L747-C764 WeakPolarHBondContact O-CA 3.34Å; C764-W778 HydrophobicContact CB-CH2 4.27Å; C764-W778 HydrophobicContact CB-CZ2 3.58Å; C764-G811 WeakPolarHBondContact CB-O 3.28Å; C764-G811 PolarHBondContact O-N 2.88Å; C764-C828 HydrophobicContact CB-CB 3.66Å; C764-C828 WeakPolarHBondContact CB-SG 3.35Å; C764-C828 WeakPolarHBondContact SG-CB 3.48Å; C764-C828 CovalentContact SG-SG 2.02Å; C764-C828 PolarHBondContact SG-SG 2.91Å | ||
| 765 | R | 89.1 | Confident | 81.6 | Confident | 90 Ų | 90 | 65 Ų | 65 | 34% | 0.34 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 139.3 | -177.4 | -170.9 | -167.6 | 175.2 | 166.7 | -1.2 | 110.7 | S746 L747 Y809 F810 | S746-R765 PolarHBondContact N-O 2.88Å; L747-R765 HydrophobicContact CB-CB 3.75Å; L747-R765 HydrophobicContact CD1-CB 3.93Å; L747-R765 HydrophobicContact CG-CB 4.02Å; L747-R765 PolarHBondContact N-O 3.04Å; L747-R765 PolarHBondContact O-N 2.86Å; R765-Y809 WeakPolarHBondContact CA-O 3.41Å; R765-Y809 WeakPolarHBondContact CG-O 3.36Å; R765-F810 HydrophobicContact CB-CD1 4.46Å; R765-F810 HydrophobicContact CG-CD1 4.13Å; R765-F810 HydrophobicContact CG-CE1 4.08Å; R765-F810 HydrophobicContact CG-CG 4.5Å; R765-F810 HydrophobicContact CG-CZ 4.38Å |
| 766 | V | 85.5 | Confident | 81.8 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 163 | 174.4 | -49.8 | 0 | 0 | 0 | 0 | 113.3 | L743 K744 M745 V774 Y776 Y809 A830 | L743-V766 HydrophobicContact CD1-CB 4.07Å; L743-V766 HydrophobicContact CD1-CG2 3.6Å; L743-V766 HydrophobicContact CD2-CG1 4.4Å; L743-V766 HydrophobicContact CD2-CG2 4.45Å; L743-V766 HydrophobicContact CG-CB 4.25Å; L743-V766 HydrophobicContact CG-CG2 4.24Å; K744-V766 CarbonylContact O-C 3.52Å; K744-V766 WeakPolarHBondContact O-CA 3.42Å; K744-V766 WeakPolarHBondContact O-CB 3.24Å; M745-V766 HydrophobicContact CE-CG1 4.43Å; M745-V766 HydrophobicContact CG-CG1 3.97Å; V766-V774 HydrophobicContact CG2-CB 4.44Å; V766-V774 HydrophobicContact CG2-CG1 3.72Å; V766-V774 HydrophobicContact CG2-CG2 4.04Å; V766-Y776 HydrophobicContact CG1-CE1 4.15Å; V766-Y776 VanDerWaalsContact CG2-OH 3.24Å; V766-Y776 WeakPolarHBondContact CG2-OH 3.24Å; V766-Y776 PolarHBondContact N-OH 2.85Å; V766-Y809 PolarHBondContact N-O 2.88Å; V766-A830 HydrophobicContact CB-CB 4.47Å; V766-A830 HydrophobicContact CG1-CB 3.32Å; V766-A830 HydrophobicContact CG2-CB 4.46Å |
| 767 | Q | 82.8 | Confident | 82 | Confident | 114 Ų | 114 | 55.3 Ų | 55.3 | 53% | 0.533 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 122.5 | 165.8 | -68.7 | 177.9 | -27.4 | 0 | 0 | 107.6 | K744 | K744-Q767 PolarHBondContact N-O 3.09Å; K744-Q767 PolarHBondContact O-N 2.88Å |
| 768 | S | 77.1 | Confident | 82.4 | Confident | 26 Ų | 26 | 50.8 Ų | 50.8 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | trans | -131.3 | 158.6 | -178.9 | -170.9 | 0 | 0 | 0 | 0 | 109.9 | L743 | L743-S768 VanDerWaalsContact CD1-CB 3.48Š| ||
| 769 | S | 72.7 | Confident | 82.5 | Confident | 26 Ų | 26 | 52 Ų | 52 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | trans | -59.5 | 144.6 | 166.9 | -175.3 | 0 | 0 | 0 | 0 | 110.7 | Y771 L772 | S769-Y771 PolarHBondContact O-N 3.01Å; S769-Y771 WeakPolarHBondContact OG-CD2 3.32Å; S769-L772 PolarHBondContact O-N 3.09Å | ||
| 770 | S | 72 | Confident | 82.5 | Confident | 98 Ų | 98 | 49.3 Ų | 49.3 | 69% | 0.685 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -14.6 | -179.3 | 51.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 771 | Y | 67.8 | Low | 82.3 | Confident | 181 Ų | 181 | 53.9 Ų | 53.9 | 71% | 0.71 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -12.9 | 177.9 | -56.9 | -76.8 | 0 | 0 | 0 | 113.4 | S769 | S769-Y771 PolarHBondContact O-N 3.01Å; S769-Y771 WeakPolarHBondContact OG-CD2 3.32Å |
| 772 | L | 69.6 | Low | 81.8 | Confident | 21 Ų | 21 | 52.1 Ų | 52.1 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -113.8 | 126.4 | -173.7 | -60.9 | 177.1 | 0 | 0 | 0 | 111.7 | I740 S769 T832 L834 | I740-L772 HydrophobicContact CG2-CD1 3.82Å; I740-L772 HydrophobicContact CG2-CG 4.34Å; S769-L772 PolarHBondContact O-N 3.09Å; L772-T832 HydrophobicContact CB-CG2 4.07Å; L772-T832 HydrophobicContact CD1-CG2 4.27Å; L772-L834 HydrophobicContact CD1-CD1 4.06Å; L772-L834 HydrophobicContact CD2-CD1 3.82Å; L772-L834 HydrophobicContact CD2-CG 4.22Å |
| 773 | D | 72.9 | Confident | 81.3 | Confident | 121 Ų | 121 | 56.3 Ų | 56.3 | 65% | 0.647 | 30% | 0.302 | S | S | * | . | trans | -74.6 | 136.1 | 166.8 | -94.2 | -31.9 | 0 | 0 | 0 | 110.7 | N808 | D773-N808 PolarHBondContact OD1-ND2 2.8Š| ||
| 774 | V | 76.9 | Confident | 80.7 | Confident | 8 Ų | 8 | 57.9 Ų | 57.9 | 5% | 0.048 | 31% | 0.308 | C | S | . | . | trans | -104.2 | 119.5 | -179.2 | -175.9 | 0 | 0 | 0 | 0 | 109.6 | L743 V766 Y776 A830 E831 T832 | L743-V774 HydrophobicContact CD1-CG2 4.25Å; V766-V774 HydrophobicContact CG2-CB 4.44Å; V766-V774 HydrophobicContact CG2-CG1 3.72Å; V766-V774 HydrophobicContact CG2-CG2 4.04Å; V774-Y776 HydrophobicContact CB-CE2 4.18Å; V774-Y776 HydrophobicContact CG1-CD2 4.06Å; V774-Y776 HydrophobicContact CG1-CE2 3.49Å; V774-Y776 VanDerWaalsContact CG1-CE2 3.49Å; V774-A830 HydrophobicContact CG1-CB 4.16Å; V774-E831 CarbonylContact C-O 3.53Å; V774-E831 WeakPolarHBondContact CA-O 3.38Å; V774-T832 HydrophobicContact CG2-CG2 3.98Å | ||
| 775 | N | 83.8 | Confident | 80.1 | Confident | 89 Ų | 89 | 58.2 Ų | 58.2 | 48% | 0.476 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 150.5 | 167.9 | -170 | 30.5 | 0 | 0 | 0 | 111 | A830 E831 | N775-A830 CarbonylContact O-C 3.49Å; N775-A830 WeakPolarHBondContact O-CA 3.46Å; N775-E831 PolarHBondContact N-O 3.39Å; N775-E831 PolarHBondContact O-N 3.45Å |
| 776 | Y | 86.4 | Confident | 79.2 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 2% | 0.02 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 122 | 178.3 | -74.3 | -93 | 0 | 0 | 0 | 110.2 | V766 V774 N808 Y809 A829 A830 | V766-Y776 HydrophobicContact CG1-CE1 4.15Å; V766-Y776 VanDerWaalsContact CG2-OH 3.24Å; V766-Y776 WeakPolarHBondContact CG2-OH 3.24Å; V766-Y776 PolarHBondContact N-OH 2.85Å; V774-Y776 HydrophobicContact CB-CE2 4.18Å; V774-Y776 HydrophobicContact CG1-CD2 4.06Å; V774-Y776 HydrophobicContact CG1-CE2 3.49Å; V774-Y776 VanDerWaalsContact CG1-CE2 3.49Å; Y776-N808 WeakPolarHBondContact CE2-O 3.39Å; Y776-Y809 PolarHBondContact OH-O 2.93Å; Y776-A829 CarbonylContact C-O 3.48Å; Y776-A829 WeakPolarHBondContact CA-O 3.43Å; Y776-A830 HydrophobicContact CD1-CB 3.82Å; Y776-A830 HydrophobicContact CE1-CB 3.59Å |
| 777 | A | 87 | Confident | 78.3 | Confident | 10 Ų | 10 | 62.4 Ų | 62.4 | 8% | 0.083 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 145.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y779 A829 | A777-Y779 HydrophobicContact CB-CE2 3.89Å; A777-A829 HydrophobicContact CB-CB 4.5Å; A777-A829 PolarHBondContact N-O 2.69Å; A777-A829 PolarHBondContact O-N 2.98Å; A777-A829 VanDerWaalsContact O-O 3.08Å |
| 778 | W | 89.2 | Confident | 77.3 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 141.4 | 172.8 | -82.9 | 86.8 | 0 | 0 | 0 | 109.6 | P749 L762 C764 N784 L785 F787 G811 L813 T827 C828 | P749-W778 HydrophobicContact CB-CH2 4Å; P749-W778 HydrophobicContact CB-CZ3 4.29Å; P749-W778 HydrophobicContact CG-CH2 4.05Å; P749-W778 HydrophobicContact CG-CZ3 4.19Å; L762-W778 HydrophobicContact CB-CH2 3.66Å; L762-W778 HydrophobicContact CB-CZ2 4.34Å; L762-W778 HydrophobicContact CB-CZ3 4.19Å; L762-W778 HydrophobicContact CD1-CH2 4.45Å; L762-W778 HydrophobicContact CD1-CZ3 4.13Å; C764-W778 HydrophobicContact CB-CH2 4.27Å; C764-W778 HydrophobicContact CB-CZ2 3.58Å; W778-N784 PolarHBondContact O-OD1 3.4Å; W778-L785 HydrophobicContact CB-CB 4.32Å; W778-L785 HydrophobicContact CB-CD1 3.94Å; W778-L785 VanDerWaalsContact O-CB 3.31Å; W778-L785 WeakPolarHBondContact O-CB 3.38Å; W778-L785 PolarHBondContact O-N 3.33Å; W778-F787 HydrophobicContact CB-CZ 4.16Å; W778-F787 HydrophobicContact CG-CZ 4.49Å; W778-G811 PolarHBondContact NE1-O 3.21Å; W778-L813 HydrophobicContact CB-CD1 4.47Å; W778-L813 HydrophobicContact CB-CD2 4.25Å; W778-L813 HydrophobicContact CD2-CB 3.75Å; W778-L813 HydrophobicContact CD2-CD2 3.82Å; W778-L813 HydrophobicContact CD2-CG 4.25Å; W778-L813 VanDerWaalsContact CE2-CB 3.48Å; W778-L813 HydrophobicContact CE3-CB 4.22Å; W778-L813 HydrophobicContact CE3-CD2 3.83Å; W778-L813 HydrophobicContact CG-CB 4.16Å; W778-L813 HydrophobicContact CG-CD1 4.15Å; W778-L813 HydrophobicContact CG-CD2 4.02Å; W778-L813 HydrophobicContact CG-CG 4.35Å; W778-L813 HydrophobicContact CH2-CB 4.16Å; W778-L813 HydrophobicContact CZ2-CB 3.68Å; W778-L813 HydrophobicContact CZ3-CB 4.42Å; W778-L813 HydrophobicContact CZ3-CD2 4.43Å; W778-T827 CarbonylContact C-O 3.43Å; W778-T827 VanDerWaalsContact CA-O 3.31Å; W778-T827 WeakPolarHBondContact CA-O 3.47Å; W778-T827 VanDerWaalsContact CE3-C 3.46Å; W778-C828 HydrophobicContact CD2-CB 3.97Å; W778-C828 HydrophobicContact CE3-CB 4.02Å; W778-C828 HydrophobicContact CH2-CB 3.64Å; W778-C828 HydrophobicContact CZ2-CB 3.57Å; W778-C828 HydrophobicContact CZ3-CB 3.85Å |
| 779 | Y | 87.5 | Confident | 76.1 | Confident | 64 Ų | 64 | 72.2 Ų | 72.2 | 25% | 0.251 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 135 | 178.3 | -57.2 | -102.4 | 0 | 0 | 0 | 109.9 | A777 V783 N784 Y826 T827 A829 | A777-Y779 HydrophobicContact CB-CE2 3.89Å; Y779-V783 CarbonylContact C-O 3.52Å; Y779-V783 WeakPolarHBondContact CA-O 3.1Å; Y779-N784 HydrophobicContact CD1-CB 3.88Å; Y779-N784 HydrophobicContact CE1-CB 3.66Å; Y779-Y826 CarbonylContact O-C 3.54Å; Y779-Y826 WeakPolarHBondContact O-CA 3.43Å; Y779-T827 PolarHBondContact N-O 2.91Å; Y779-T827 PolarHBondContact O-N 3.15Å; Y779-A829 HydrophobicContact CD2-CB 4.35Å; Y779-A829 HydrophobicContact CE2-CB 3.73Å |
| 780 | F | 85 | Confident | 75.1 | Confident | 22 Ų | 22 | 78.2 Ų | 78.2 | 10% | 0.096 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 117.7 | 171.8 | 173.5 | -109.6 | 0 | 0 | 0 | 108.6 | G782 V783 L785 E821 Y826 | F780-G782 PolarHBondContact O-N 2.99Å; F780-G782 VanDerWaalsContact O-N 3.13Å; F780-V783 PolarHBondContact N-O 3.41Å; F780-V783 WeakPolarHBondContact O-CB 3.42Å; F780-V783 PolarHBondContact O-N 3.37Å; F780-L785 HydrophobicContact CB-CD1 4.27Å; F780-L785 HydrophobicContact CB-CD2 3.98Å; F780-L785 HydrophobicContact CB-CG 4.22Å; F780-E821 VanDerWaalsContact CZ-O 3.24Å; F780-E821 WeakPolarHBondContact CZ-O 3.44Å; F780-Y826 HydrophobicContact CB-CD1 4.32Å; F780-Y826 HydrophobicContact CB-CE1 4.08Å; F780-Y826 HydrophobicContact CD2-CD1 4.02Å; F780-Y826 HydrophobicContact CD2-CD2 4.16Å; F780-Y826 AromaticContact CD2-CE1 3.5Å; F780-Y826 HydrophobicContact CD2-CE1 3.5Å; F780-Y826 AromaticContact CD2-CE2 3.67Å; F780-Y826 HydrophobicContact CD2-CE2 3.67Å; F780-Y826 HydrophobicContact CD2-CG 4.31Å; F780-Y826 AromaticContact CD2-CZ 3.31Å; F780-Y826 HydrophobicContact CE2-CE1 4.31Å; F780-Y826 AromaticContact CE2-CE2 3.79Å; F780-Y826 HydrophobicContact CE2-CE2 3.79Å; F780-Y826 AromaticContact CE2-CZ 3.66Å; F780-Y826 HydrophobicContact CG-CE1 4.11Å |
| 781 | E | 82.7 | Confident | 73.9 | Confident | 115 Ų | 115 | 76.4 Ų | 76.4 | 54% | 0.537 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 36.5 | -174.5 | -61.6 | -64.4 | 163.6 | 0 | 0 | 112.8 | G824 N825 | E781-G824 WeakPolarHBondContact OE1-CA 3.45Å; E781-N825 PolarHBondContact N-O 2.83Å; E781-N825 PolarHBondContact OE1-N 2.83Å |
| 782 | G | 79 | Confident | 73.1 | Confident | 59 Ų | 59 | 73.8 Ų | 73.8 | 61% | 0.608 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.5 | -5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | F780 | F780-G782 PolarHBondContact O-N 2.99Å; F780-G782 VanDerWaalsContact O-N 3.13Å |
| 783 | V | 79.6 | Confident | 72.1 | Confident | 92 Ų | 92 | 79 Ų | 79 | 56% | 0.558 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 128.1 | -179.5 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | Y779 F780 L785 | Y779-V783 CarbonylContact C-O 3.52Å; Y779-V783 WeakPolarHBondContact CA-O 3.1Å; F780-V783 PolarHBondContact N-O 3.41Å; F780-V783 WeakPolarHBondContact O-CB 3.42Å; F780-V783 PolarHBondContact O-N 3.37Å; V783-L785 PolarHBondContact O-N 3.36Å |
| 784 | N | 78.2 | Confident | 71 | Confident | 73 Ų | 73 | 74.1 Ų | 74.1 | 39% | 0.39 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 127.2 | -178.3 | -171.1 | 4.3 | 0 | 0 | 0 | 112.2 | W778 Y779 K786 | W778-N784 PolarHBondContact O-OD1 3.4Å; Y779-N784 HydrophobicContact CD1-CB 3.88Å; Y779-N784 HydrophobicContact CE1-CB 3.66Å; N784-K786 PolarHBondContact O-N 3.43Å |
| 785 | L | 77.1 | Confident | 69.8 | Low | 7 Ų | 7 | 81.6 Ų | 81.6 | 4% | 0.037 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 101.9 | 173.8 | -63.1 | 176.5 | 0 | 0 | 0 | 109.1 | W778 F780 V783 F787 Y797 L813 Y826 | W778-L785 HydrophobicContact CB-CB 4.32Å; W778-L785 HydrophobicContact CB-CD1 3.94Å; W778-L785 VanDerWaalsContact O-CB 3.31Å; W778-L785 WeakPolarHBondContact O-CB 3.38Å; W778-L785 PolarHBondContact O-N 3.33Å; F780-L785 HydrophobicContact CB-CD1 4.27Å; F780-L785 HydrophobicContact CB-CD2 3.98Å; F780-L785 HydrophobicContact CB-CG 4.22Å; V783-L785 PolarHBondContact O-N 3.36Å; L785-F787 HydrophobicContact CB-CZ 4.18Å; L785-F787 WeakPolarHBondContact O-CE2 3.26Å; L785-Y797 HydrophobicContact CD2-CD1 4.34Å; L785-Y797 HydrophobicContact CD2-CD2 3.9Å; L785-Y797 HydrophobicContact CD2-CE2 4.3Å; L785-Y797 HydrophobicContact CD2-CG 3.93Å; L785-L813 HydrophobicContact CD1-CD2 3.92Å; L785-Y826 HydrophobicContact CD1-CD1 4.32Å; L785-Y826 HydrophobicContact CD1-CE1 4.26Å |
| 786 | K | 71 | Confident | 68.2 | Low | 109 Ų | 109 | 87.3 Ų | 87.3 | 47% | 0.474 | 42% | 0.422 | S | S | . | . | trans | -79.3 | 127.4 | 177 | -64.2 | -173.9 | 175.5 | 179.6 | 0 | 111 | N784 D791 | N784-K786 PolarHBondContact O-N 3.43Å; K786-D791 HydrophobicContact CD-CB 4.45Å; K786-D791 WeakPolarHBondContact CD-OD2 3.43Å; K786-D791 WeakPolarHBondContact CE-OD2 3.26Å; K786-D791 IonicContact NZ-OD2 3.65Å; K786-D791 PolarHBondContact NZ-OD2 2.59Å | ||
| 787 | F | 65.8 | Low | 66.6 | Low | 70 Ų | 70 | 90.8 Ų | 90.8 | 31% | 0.307 | 44% | 0.436 | S | S | . | . | trans | -99.6 | -2.7 | 179.1 | -55.9 | -69.7 | 0 | 0 | 0 | 113.8 | W778 L785 A800 L802 L813 | W778-F787 HydrophobicContact CB-CZ 4.16Å; W778-F787 HydrophobicContact CG-CZ 4.49Å; L785-F787 HydrophobicContact CB-CZ 4.18Å; L785-F787 WeakPolarHBondContact O-CE2 3.26Å; F787-A800 HydrophobicContact CE1-CB 4.5Å; F787-L802 HydrophobicContact CD1-CB 4.47Å; F787-L802 HydrophobicContact CD2-CB 4.25Å; F787-L802 HydrophobicContact CE1-CB 4.48Å; F787-L802 HydrophobicContact CE2-CB 4.26Å; F787-L802 HydrophobicContact CE2-CD1 4.34Å; F787-L802 HydrophobicContact CG-CB 4.36Å; F787-L802 HydrophobicContact CZ-CB 4.38Å; F787-L813 HydrophobicContact CE1-CD1 3.69Å; F787-L813 HydrophobicContact CZ-CD1 3.61Å | ||
| 788 | D | 62.4 | Low | 65.3 | Low | 103 Ų | 103 | 97.2 Ų | 97.2 | 55% | 0.551 | 46% | 0.464 | S | S | * | . | trans | -75 | 129.7 | -178.3 | -156.7 | -12.9 | 0 | 0 | 0 | 110.6 | L790 D791 A794 | D788-L790 PolarHBondContact O-N 3.16Å; D788-D791 PolarHBondContact O-N 3.26Å; D788-A794 WeakPolarHBondContact O-CB 3.41Å | ||
| 789 | R | 51.9 | Low | 64 | Low | 244 Ų | 244 | 99.7 Ų | 99.7 | 92% | 0.921 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -12.9 | -175 | -82.5 | -176.4 | 165.8 | 174.2 | -3.2 | 113.3 | ||
| 790 | L | 51.3 | Low | 63.2 | Low | 151 Ų | 151 | 97.3 Ų | 97.3 | 79% | 0.791 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -15.3 | -174.8 | -75.2 | 158.7 | 0 | 0 | 0 | 113.6 | D788 | D788-L790 PolarHBondContact O-N 3.16Š|
| 791 | D | 46.8 | Very low | 62.8 | Low | 61 Ų | 61 | 101.2 Ų | 101.2 | 33% | 0.326 | 49% | 0.489 | S | S | . | . | trans | -85.6 | 119.8 | -177.1 | -141.7 | -22.5 | 0 | 0 | 0 | 110.2 | K786 D788 D793 A794 | K786-D791 HydrophobicContact CD-CB 4.45Å; K786-D791 WeakPolarHBondContact CD-OD2 3.43Å; K786-D791 WeakPolarHBondContact CE-OD2 3.26Å; K786-D791 IonicContact NZ-OD2 3.65Å; K786-D791 PolarHBondContact NZ-OD2 2.59Å; D788-D791 PolarHBondContact O-N 3.26Å; D791-D793 PolarHBondContact O-N 2.83Å; D791-D793 VanDerWaalsContact O-N 3.1Å; D791-A794 HydrophobicContact CB-CB 4.27Å; D791-A794 WeakPolarHBondContact O-CB 3.45Å; D791-A794 PolarHBondContact O-N 2.83Å | ||
| 792 | L | 50.8 | Low | 62.4 | Low | 126 Ų | 126 | 97.7 Ų | 97.7 | 66% | 0.66 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -23 | -174.1 | -84.7 | 153.3 | 0 | 0 | 0 | 112.9 | R795 | L792-R795 VanDerWaalsContact CD2-NH2 3.26Å; L792-R795 PolarHBondContact O-NE 3.48Å |
| 793 | D | 48.2 | Very low | 62.3 | Low | 130 Ų | 130 | 100.2 Ų | 100.2 | 70% | 0.695 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -18.3 | 174.1 | -79.5 | -21 | 0 | 0 | 0 | 113.9 | D791 R795 R796 | D791-D793 PolarHBondContact O-N 2.83Å; D791-D793 VanDerWaalsContact O-N 3.1Å; D793-R795 PolarHBondContact O-N 3.32Å; D793-R795 VanDerWaalsContact O-N 3.12Å; D793-R796 PolarHBondContact O-N 3.41Å; D793-R796 VanDerWaalsContact O-N 3.1Å |
| 794 | A | 49.4 | Very low | 62 | Low | 18 Ų | 18 | 100.5 Ų | 100.5 | 15% | 0.149 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | -63.2 | -20.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D788 D791 R796 Y797 | D788-A794 WeakPolarHBondContact O-CB 3.41Å; D791-A794 HydrophobicContact CB-CB 4.27Å; D791-A794 WeakPolarHBondContact O-CB 3.45Å; D791-A794 PolarHBondContact O-N 2.83Å; A794-R796 PolarHBondContact O-N 2.79Å; A794-Y797 PolarHBondContact O-N 3.2Å; A794-Y797 VanDerWaalsContact O-N 3.08Å |
| 795 | R | 51.8 | Low | 61.4 | Low | 165 Ų | 165 | 99.4 Ų | 99.4 | 62% | 0.623 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -59.7 | -24.6 | 174.2 | -71.9 | -171.8 | -68.3 | -178 | -0.7 | 113.6 | L792 D793 Y797 | L792-R795 VanDerWaalsContact CD2-NH2 3.26Å; L792-R795 PolarHBondContact O-NE 3.48Å; D793-R795 PolarHBondContact O-N 3.32Å; D793-R795 VanDerWaalsContact O-N 3.12Å; R795-Y797 PolarHBondContact O-N 3.22Å |
| 796 | R | 51.1 | Low | 60.9 | Low | 209 Ų | 209 | 107.9 Ų | 107.9 | 79% | 0.789 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -64.8 | -17.7 | 176.9 | -115.6 | -177.3 | -169.9 | -168.3 | 4.4 | 112.9 | D793 A794 | D793-R796 PolarHBondContact O-N 3.41Å; D793-R796 VanDerWaalsContact O-N 3.1Å; A794-R796 PolarHBondContact O-N 2.79Å |
| 797 | Y | 53.5 | Low | 60.9 | Low | 79 Ų | 79 | 104.3 Ų | 104.3 | 31% | 0.31 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -140.5 | 39.9 | -178 | -55.4 | -76 | 0 | 0 | 0 | 113.9 | L785 A794 R795 L799 A800 | L785-Y797 HydrophobicContact CD2-CD1 4.34Å; L785-Y797 HydrophobicContact CD2-CD2 3.9Å; L785-Y797 HydrophobicContact CD2-CE2 4.3Å; L785-Y797 HydrophobicContact CD2-CG 3.93Å; A794-Y797 PolarHBondContact O-N 3.2Å; A794-Y797 VanDerWaalsContact O-N 3.08Å; R795-Y797 PolarHBondContact O-N 3.22Å; Y797-L799 PolarHBondContact O-N 2.87Å; Y797-A800 PolarHBondContact O-N 3.04Å |
| 798 | E | 58.3 | Low | 61.1 | Low | 145 Ų | 145 | 104.9 Ų | 104.9 | 68% | 0.678 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -15.9 | 171 | -85.5 | -178.5 | 179.3 | 0 | 0 | 114.2 | ||
| 799 | L | 63.4 | Low | 61.9 | Low | 52 Ų | 52 | 104.4 Ų | 104.4 | 27% | 0.272 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -23.5 | 176.4 | -63.4 | -175.8 | 0 | 0 | 0 | 113.9 | Y797 I815 V816 N817 | Y797-L799 PolarHBondContact O-N 2.87Å; L799-I815 CarbonylContact O-C 3.54Å; L799-I815 WeakPolarHBondContact O-CA 3.24Å; L799-V816 HydrophobicContact CB-CG2 4.42Å; L799-V816 VanDerWaalsContact CB-O 3.27Å; L799-V816 WeakPolarHBondContact CB-O 3.48Å; L799-V816 HydrophobicContact CD2-CG2 4.09Å; L799-V816 WeakPolarHBondContact CD2-O 3.49Å; L799-V816 VanDerWaalsContact O-CG2 3.26Å; L799-V816 WeakPolarHBondContact O-CG2 3.33Å; L799-V816 PolarHBondContact O-N 3.42Å; L799-N817 HydrophobicContact CD2-CB 3.81Å |
| 800 | A | 69.7 | Low | 63.3 | Low | 13 Ų | 13 | 94 Ų | 94 | 11% | 0.107 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 121.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111 | F787 Y797 L813 K814 I815 | F787-A800 HydrophobicContact CE1-CB 4.5Å; Y797-A800 PolarHBondContact O-N 3.04Å; A800-L813 HydrophobicContact CB-CD1 4.13Å; A800-K814 CarbonylContact C-O 3.47Å; A800-K814 WeakPolarHBondContact CA-O 3.37Å; A800-I815 HydrophobicContact CB-CG1 4.34Å |
| 801 | Q | 76.3 | Confident | 64.9 | Low | 104 Ų | 104 | 86.9 Ų | 86.9 | 49% | 0.486 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 137.3 | -177.7 | -65.7 | 178.7 | -4 | 0 | 0 | 111 | Y803 K814 | Q801-Y803 PolarHBondContact O-N 2.95Å; Q801-K814 PolarHBondContact N-O 2.63Å; Q801-K814 PolarHBondContact O-N 2.95Å |
| 802 | L | 75.7 | Confident | 66.9 | Low | 42 Ų | 42 | 84.8 Ų | 84.8 | 22% | 0.22 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 116.7 | 172 | -165.2 | 71.5 | 0 | 0 | 0 | 110.1 | F787 | F787-L802 HydrophobicContact CD1-CB 4.47Å; F787-L802 HydrophobicContact CD2-CB 4.25Å; F787-L802 HydrophobicContact CE1-CB 4.48Å; F787-L802 HydrophobicContact CE2-CB 4.26Å; F787-L802 HydrophobicContact CE2-CD1 4.34Å; F787-L802 HydrophobicContact CG-CB 4.36Å; F787-L802 HydrophobicContact CZ-CB 4.38Å |
| 803 | Y | 75.5 | Confident | 68.7 | Low | 111 Ų | 111 | 78.8 Ų | 78.8 | 44% | 0.435 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 119.6 | -175.1 | -175.4 | -114.3 | 0 | 0 | 0 | 111.4 | Q801 P805 T812 | Q801-Y803 PolarHBondContact O-N 2.95Å; Y803-P805 HydrophobicContact CD1-CG 4.08Å; Y803-P805 HydrophobicContact CE1-CB 3.8Å; Y803-P805 HydrophobicContact CE1-CG 3.66Å; Y803-P805 WeakPolarHBondContact O-CD 3.46Å; Y803-T812 PolarHBondContact N-O 2.9Å; Y803-T812 WeakPolarHBondContact O-CB 3.44Å; Y803-T812 PolarHBondContact O-N 2.82Å |
| 804 | R | 73.7 | Confident | 70.5 | Confident | 99 Ų | 99 | 75.8 Ų | 75.8 | 37% | 0.374 | 34% | 0.341 | S | S | . | . | trans | -124.4 | 76.4 | -174.9 | -49.7 | -160.9 | 178 | 165.1 | -3.5 | 112.2 | Y806 F810 | R804-Y806 PolarHBondContact O-N 3.24Å; R804-F810 WeakPolarHBondContact CD-O 3.47Å; R804-F810 WeakPolarHBondContact CG-O 3.46Å | ||
| 805 | P | 65.9 | Low | 72.3 | Confident | 50 Ų | 50 | 75.1 Ų | 75.1 | 33% | 0.325 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -28.6 | -171.5 | 23.7 | -31.3 | 0 | 0 | 0 | 114.6 | Y803 | Y803-P805 HydrophobicContact CD1-CG 4.08Å; Y803-P805 HydrophobicContact CE1-CB 3.8Å; Y803-P805 HydrophobicContact CE1-CG 3.66Å; Y803-P805 WeakPolarHBondContact O-CD 3.46Å |
| 806 | Y | 66.3 | Low | 73.7 | Confident | 184 Ų | 184 | 69 Ų | 69 | 72% | 0.722 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.5 | 30.3 | -171.7 | -52.9 | -71.8 | 0 | 0 | 0 | 113.5 | R804 F810 | R804-Y806 PolarHBondContact O-N 3.24Å; Y806-F810 HydrophobicContact CD2-CE1 4.27Å; Y806-F810 HydrophobicContact CD2-CE2 4.42Å; Y806-F810 HydrophobicContact CD2-CZ 4.1Å |
| 807 | G | 70.7 | Confident | 75.2 | Confident | 35 Ų | 35 | 62.5 Ų | 62.5 | 36% | 0.361 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 101 | -169.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y809 F810 | G807-Y809 PolarHBondContact O-N 2.84Å; G807-Y809 VanDerWaalsContact O-N 3.15Å; G807-F810 PolarHBondContact O-N 2.76Å |
| 808 | N | 70.5 | Confident | 76.6 | Confident | 81 Ų | 81 | 58.8 Ų | 58.8 | 43% | 0.433 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -16 | -164.4 | -66.9 | -1.6 | 0 | 0 | 0 | 114.7 | D773 Y776 F810 | D773-N808 PolarHBondContact OD1-ND2 2.8Å; Y776-N808 WeakPolarHBondContact CE2-O 3.39Å; N808-F810 PolarHBondContact O-N 2.88Å |
| 809 | Y | 78.7 | Confident | 77.9 | Confident | 93 Ų | 93 | 53.5 Ų | 53.5 | 37% | 0.365 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 1.8 | 178.4 | -54.2 | -67.9 | 0 | 0 | 0 | 114.2 | R765 V766 Y776 G807 | R765-Y809 WeakPolarHBondContact CA-O 3.41Å; R765-Y809 WeakPolarHBondContact CG-O 3.36Å; V766-Y809 PolarHBondContact N-O 2.88Å; Y776-Y809 PolarHBondContact OH-O 2.93Å; G807-Y809 PolarHBondContact O-N 2.84Å; G807-Y809 VanDerWaalsContact O-N 3.15Å |
| 810 | F | 81.4 | Confident | 78.7 | Confident | 27 Ų | 27 | 53.3 Ų | 53.3 | 12% | 0.118 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -116.3 | 124.3 | -178.9 | -67 | -97.2 | 0 | 0 | 0 | 110.4 | R765 R804 Y806 G807 N808 | R765-F810 HydrophobicContact CB-CD1 4.46Å; R765-F810 HydrophobicContact CG-CD1 4.13Å; R765-F810 HydrophobicContact CG-CE1 4.08Å; R765-F810 HydrophobicContact CG-CG 4.5Å; R765-F810 HydrophobicContact CG-CZ 4.38Å; R804-F810 WeakPolarHBondContact CD-O 3.47Å; R804-F810 WeakPolarHBondContact CG-O 3.46Å; Y806-F810 HydrophobicContact CD2-CE1 4.27Å; Y806-F810 HydrophobicContact CD2-CE2 4.42Å; Y806-F810 HydrophobicContact CD2-CZ 4.1Å; G807-F810 PolarHBondContact O-N 2.76Å; N808-F810 PolarHBondContact O-N 2.88Å |
| 811 | G | 85.7 | Confident | 79.3 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -124.2 | 44.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | C764 W778 | C764-G811 WeakPolarHBondContact CB-O 3.28Å; C764-G811 PolarHBondContact O-N 2.88Å; W778-G811 PolarHBondContact NE1-O 3.21Å | ||
| 812 | T | 88.3 | Confident | 79.6 | Confident | 18 Ų | 18 | 55.7 Ų | 55.7 | 11% | 0.11 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 133 | -175.3 | -62.8 | 0 | 0 | 0 | 0 | 110.8 | L761 L762 Y803 | L761-T812 HydrophobicContact CB-CG2 4.38Å; L761-T812 HydrophobicContact CD2-CG2 4.45Å; L762-T812 CarbonylContact O-C 3.52Å; L762-T812 WeakPolarHBondContact O-CA 3.33Å; L762-T812 VanDerWaalsContact O-CG2 3.3Å; L762-T812 WeakPolarHBondContact O-CG2 3.49Å; Y803-T812 PolarHBondContact N-O 2.9Å; Y803-T812 WeakPolarHBondContact O-CB 3.44Å; Y803-T812 PolarHBondContact O-N 2.82Å |
| 813 | L | 88.3 | Confident | 80 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 125.9 | 176.2 | -171.6 | 64.6 | 0 | 0 | 0 | 110.7 | L761 L762 W778 L785 F787 A800 I815 Y826 | L761-L813 CarbonylContact C-O 3.57Å; L761-L813 WeakPolarHBondContact CA-O 3.44Å; L762-L813 HydrophobicContact CB-CB 4.26Å; L762-L813 HydrophobicContact CD1-CD2 4.39Å; L762-L813 PolarHBondContact N-O 3.07Å; L762-L813 PolarHBondContact O-N 2.84Å; W778-L813 HydrophobicContact CB-CD1 4.47Å; W778-L813 HydrophobicContact CB-CD2 4.25Å; W778-L813 HydrophobicContact CD2-CB 3.75Å; W778-L813 HydrophobicContact CD2-CD2 3.82Å; W778-L813 HydrophobicContact CD2-CG 4.25Å; W778-L813 VanDerWaalsContact CE2-CB 3.48Å; W778-L813 HydrophobicContact CE3-CB 4.22Å; W778-L813 HydrophobicContact CE3-CD2 3.83Å; W778-L813 HydrophobicContact CG-CB 4.16Å; W778-L813 HydrophobicContact CG-CD1 4.15Å; W778-L813 HydrophobicContact CG-CD2 4.02Å; W778-L813 HydrophobicContact CG-CG 4.35Å; W778-L813 HydrophobicContact CH2-CB 4.16Å; W778-L813 HydrophobicContact CZ2-CB 3.68Å; W778-L813 HydrophobicContact CZ3-CB 4.42Å; W778-L813 HydrophobicContact CZ3-CD2 4.43Å; L785-L813 HydrophobicContact CD1-CD2 3.92Å; F787-L813 HydrophobicContact CE1-CD1 3.69Å; F787-L813 HydrophobicContact CZ-CD1 3.61Å; A800-L813 HydrophobicContact CB-CD1 4.13Å; L813-I815 HydrophobicContact CD2-CD1 4Å; L813-I815 HydrophobicContact CD2-CG1 4.03Å; L813-I815 HydrophobicContact CG-CD1 4.47Å; L813-I815 HydrophobicContact CG-CG1 3.99Å; L813-Y826 HydrophobicContact CD2-CD1 3.8Å; L813-Y826 HydrophobicContact CD2-CE1 4.2Å |
| 814 | K | 87.4 | Confident | 80.6 | Confident | 67 Ų | 67 | 51.2 Ų | 51.2 | 29% | 0.291 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 114.6 | 173.3 | -179.6 | 178.2 | 180 | -173.8 | 0 | 109.8 | T759 V760 L761 A800 Q801 V816 | T759-K814 HydrophobicContact CG2-CG 4.03Å; V760-K814 WeakPolarHBondContact O-CA 3.41Å; L761-K814 HydrophobicContact CD2-CB 3.48Å; L761-K814 VanDerWaalsContact CD2-CB 3.48Å; L761-K814 HydrophobicContact CD2-CD 4.01Å; L761-K814 HydrophobicContact CD2-CG 3.53Å; A800-K814 CarbonylContact C-O 3.47Å; A800-K814 WeakPolarHBondContact CA-O 3.37Å; Q801-K814 PolarHBondContact N-O 2.63Å; Q801-K814 PolarHBondContact O-N 2.95Å; K814-V816 HydrophobicContact CG-CG1 4.31Å |
| 815 | I | 85.7 | Confident | 81.3 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 112.5 | 177.2 | -47.9 | 172.5 | 0 | 0 | 0 | 108 | T759 V760 L762 L799 A800 L813 V818 Y826 | T759-I815 CarbonylContact C-O 3.54Å; T759-I815 WeakPolarHBondContact CA-O 3.46Å; T759-I815 WeakPolarHBondContact CG2-O 3.45Å; V760-I815 HydrophobicContact CG1-CB 3.8Å; V760-I815 HydrophobicContact CG1-CD1 4.17Å; V760-I815 HydrophobicContact CG1-CG1 4.26Å; V760-I815 PolarHBondContact N-O 3.27Å; V760-I815 PolarHBondContact O-N 3.06Å; L762-I815 HydrophobicContact CD1-CD1 4.41Å; L799-I815 CarbonylContact O-C 3.54Å; L799-I815 WeakPolarHBondContact O-CA 3.24Å; A800-I815 HydrophobicContact CB-CG1 4.34Å; L813-I815 HydrophobicContact CD2-CD1 4Å; L813-I815 HydrophobicContact CD2-CG1 4.03Å; L813-I815 HydrophobicContact CG-CD1 4.47Å; L813-I815 HydrophobicContact CG-CG1 3.99Å; I815-V818 HydrophobicContact CB-CG2 4.25Å; I815-V818 HydrophobicContact CG2-CG2 3.86Å; I815-Y826 HydrophobicContact CD1-CD1 4.06Å; I815-Y826 HydrophobicContact CD1-CE1 3.43Å; I815-Y826 VanDerWaalsContact CD1-CE1 3.43Å; I815-Y826 HydrophobicContact CD1-CE2 4.13Å; I815-Y826 VanDerWaalsContact CD1-CZ 3.46Å |
| 816 | V | 81.9 | Confident | 82.5 | Confident | 37 Ų | 37 | 47 Ų | 47 | 22% | 0.224 | 24% | 0.235 | C | C | . | . | trans | -92.9 | 153.9 | 176.6 | -65 | 0 | 0 | 0 | 0 | 110.8 | T759 L799 K814 V818 | T759-V816 HydrophobicContact CG2-CB 4.42Å; T759-V816 HydrophobicContact CG2-CG1 3.65Å; L799-V816 HydrophobicContact CB-CG2 4.42Å; L799-V816 VanDerWaalsContact CB-O 3.27Å; L799-V816 WeakPolarHBondContact CB-O 3.48Å; L799-V816 HydrophobicContact CD2-CG2 4.09Å; L799-V816 WeakPolarHBondContact CD2-O 3.49Å; L799-V816 VanDerWaalsContact O-CG2 3.26Å; L799-V816 WeakPolarHBondContact O-CG2 3.33Å; L799-V816 PolarHBondContact O-N 3.42Å; K814-V816 HydrophobicContact CG-CG1 4.31Å; V816-V818 PolarHBondContact O-N 2.81Å | ||
| 817 | N | 82.8 | Confident | 83.8 | Confident | 71 Ų | 71 | 39.2 Ų | 39.2 | 38% | 0.38 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 50.6 | 47.3 | 175.5 | -166.7 | 40.2 | 0 | 0 | 0 | 115.4 | N757 S758 L799 Q819 | N757-N817 VanDerWaalsContact CA-OD1 3.25Å; N757-N817 WeakPolarHBondContact CA-OD1 3.23Å; N757-N817 VanDerWaalsContact CB-OD1 3.24Å; N757-N817 WeakPolarHBondContact CB-OD1 3.41Å; N757-N817 PolarHBondContact OD1-OD1 3.28Å; N757-N817 VanDerWaalsContact OD1-OD1 3.1Å; S758-N817 PolarHBondContact O-N 3.18Å; L799-N817 HydrophobicContact CD2-CB 3.81Å; N817-Q819 PolarHBondContact O-N 2.86Å; N817-Q819 PolarHBondContact O-NE2 3.48Å |
| 818 | V | 83.5 | Confident | 84.8 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | trans | -53.1 | 127.4 | -174.7 | 171 | 0 | 0 | 0 | 0 | 113.2 | V754 R756 N757 S758 V760 I815 V816 N822 I845 | V754-V818 HydrophobicContact CG1-CB 4.34Å; V754-V818 HydrophobicContact CG1-CG1 4.17Å; V754-V818 HydrophobicContact CG1-CG2 4.29Å; R756-V818 CarbonylContact C-O 3.55Å; R756-V818 VanDerWaalsContact CA-O 3.27Å; R756-V818 WeakPolarHBondContact CA-O 3.47Å; N757-V818 PolarHBondContact N-O 2.84Å; S758-V818 WeakPolarHBondContact O-CG2 3.26Å; S758-V818 PolarHBondContact O-N 2.84Å; V760-V818 HydrophobicContact CG1-CG2 3.92Å; I815-V818 HydrophobicContact CB-CG2 4.25Å; I815-V818 HydrophobicContact CG2-CG2 3.86Å; V816-V818 PolarHBondContact O-N 2.81Å; V818-N822 HydrophobicContact CG1-CB 4.39Å; V818-I845 HydrophobicContact CG1-CD1 3.35Å; V818-I845 HydrophobicContact CG1-CG1 3.78Å; V818-I845 HydrophobicContact CG1-CG2 4.29Å | ||
| 819 | Q | 84.3 | Confident | 85.7 | Confident | 34 Ų | 34 | 33.9 Ų | 33.9 | 16% | 0.159 | 17% | 0.171 | C | C | . | . | trans | -111.2 | 158.3 | 177.2 | -59.3 | -53.4 | -49.9 | 0 | 0 | 111.9 | N757 N817 E821 N822 I845 | N757-Q819 PolarHBondContact OD1-NE2 2.98Å; N817-Q819 PolarHBondContact O-N 2.86Å; N817-Q819 PolarHBondContact O-NE2 3.48Å; Q819-E821 PolarHBondContact O-N 3.49Å; Q819-N822 PolarHBondContact N-OD1 2.8Å; Q819-N822 WeakPolarHBondContact O-CA 3.42Å; Q819-N822 WeakPolarHBondContact O-CB 3.45Å; Q819-N822 PolarHBondContact O-N 2.75Å; Q819-N822 PolarHBondContact O-OD1 2.8Å; Q819-I845 WeakPolarHBondContact O-CD1 3.31Å | ||
| 820 | F | 80.2 | Confident | 86.1 | Confident | 48 Ų | 48 | 29.5 Ų | 29.5 | 21% | 0.211 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -53.7 | -33.1 | -175.1 | -61.8 | -67.6 | 0 | 0 | 0 | 115 | N822 S823 I845 G847 H876 | F820-N822 PolarHBondContact O-N 2.82Å; F820-S823 WeakPolarHBondContact O-CB 3.3Å; F820-S823 PolarHBondContact O-N 2.76Å; F820-I845 HydrophobicContact CD1-CB 4.05Å; F820-I845 HydrophobicContact CD1-CG2 3.74Å; F820-I845 HydrophobicContact CE1-CG2 4.15Å; F820-G847 VanDerWaalsContact CZ-CA 3.46Å; F820-H876 HydrophobicContact CE1-CB 3.95Å; F820-H876 AromaticContact CE1-CG 3.96Å; F820-H876 AromaticContact CE1-ND1 3.96Å; F820-H876 AromaticContact CE2-ND1 3.65Å; F820-H876 HydrophobicContact CZ-CB 3.95Å; F820-H876 AromaticContact CZ-CG 3.82Å; F820-H876 AromaticContact CZ-ND1 3.39Å; F820-H876 WeakPolarHBondContact CZ-ND1 3.33Å |
| 821 | E | 82 | Confident | 86.1 | Confident | 155 Ų | 155 | 31.1 Ų | 31.1 | 72% | 0.724 | 16% | 0.161 | S | C | * | . | G | 310 helix | trans | -65.3 | -19.8 | 175.1 | -62 | 138.2 | -134.3 | 0 | 0 | 113.3 | F780 Q819 S823 | F780-E821 VanDerWaalsContact CZ-O 3.24Å; F780-E821 WeakPolarHBondContact CZ-O 3.44Å; Q819-E821 PolarHBondContact O-N 3.49Å; E821-S823 PolarHBondContact O-N 3.2Å |
| 822 | N | 82.9 | Confident | 85.6 | Confident | 13 Ų | 13 | 31.9 Ų | 31.9 | 7% | 0.07 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -80.9 | 2.6 | 173.9 | -50.8 | 145.4 | 0 | 0 | 0 | 112 | V818 Q819 F820 G824 Y826 I845 | V818-N822 HydrophobicContact CG1-CB 4.39Å; Q819-N822 PolarHBondContact N-OD1 2.8Å; Q819-N822 WeakPolarHBondContact O-CA 3.42Å; Q819-N822 WeakPolarHBondContact O-CB 3.45Å; Q819-N822 PolarHBondContact O-N 2.75Å; Q819-N822 PolarHBondContact O-OD1 2.8Å; F820-N822 PolarHBondContact O-N 2.82Å; N822-G824 PolarHBondContact O-N 2.86Å; N822-Y826 WeakPolarHBondContact CB-OH 3.35Å; N822-Y826 WeakPolarHBondContact O-CE2 3.5Å; N822-Y826 PolarHBondContact O-OH 2.85Å; N822-I845 HydrophobicContact CB-CD1 3.97Å |
| 823 | S | 84.3 | Confident | 84.6 | Confident | 52 Ų | 52 | 36.4 Ų | 36.4 | 36% | 0.364 | 20% | 0.196 | S | C | . | . | trans | -73.5 | 119 | 172.6 | -176.8 | 0 | 0 | 0 | 0 | 108 | F820 E821 I843 I845 | F820-S823 WeakPolarHBondContact O-CB 3.3Å; F820-S823 PolarHBondContact O-N 2.76Å; E821-S823 PolarHBondContact O-N 3.2Å; S823-I843 CarbonylContact C-O 3.27Å; S823-I843 VanDerWaalsContact CA-O 3.27Å; S823-I843 WeakPolarHBondContact CA-O 3.27Å; S823-I843 PolarHBondContact OG-O 3.01Å; S823-I845 VanDerWaalsContact N-CD1 3.25Å | ||
| 824 | G | 87.8 | Confident | 83.5 | Confident | 6 Ų | 6 | 39.7 Ų | 39.7 | 6% | 0.062 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.6 | -173.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E781 N822 V842 I843 | E781-G824 WeakPolarHBondContact OE1-CA 3.45Å; N822-G824 PolarHBondContact O-N 2.86Å; G824-V842 WeakPolarHBondContact O-CA 3.26Å; G824-I843 PolarHBondContact N-O 3.44Å; G824-I843 PolarHBondContact O-N 3.34Å |
| 825 | N | 89.8 | Confident | 82.8 | Confident | 53 Ų | 53 | 37.9 Ų | 37.9 | 28% | 0.283 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 121.8 | 179.8 | -167.4 | 20.9 | 0 | 0 | 0 | 111.5 | E781 S840 G841 V842 | E781-N825 PolarHBondContact N-O 2.83Å; E781-N825 PolarHBondContact OE1-N 2.83Å; N825-S840 WeakPolarHBondContact OD1-CB 2.93Å; N825-G841 PolarHBondContact OD1-N 3.38Å; N825-G841 PolarHBondContact OD1-O 2.92Å; N825-V842 HydrophobicContact CB-CG2 4.2Å |
| 826 | Y | 91 | Very high | 82.6 | Confident | 7 Ų | 7 | 40.4 Ų | 40.4 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 120.8 | 178.1 | -72.7 | -90.8 | 0 | 0 | 0 | 110.3 | L762 Y779 F780 L785 L813 I815 N822 S840 G841 I843 | L762-Y826 HydrophobicContact CD1-CD1 4.17Å; L762-Y826 HydrophobicContact CD1-CD2 4.04Å; L762-Y826 HydrophobicContact CD1-CG 3.65Å; Y779-Y826 CarbonylContact O-C 3.54Å; Y779-Y826 WeakPolarHBondContact O-CA 3.43Å; F780-Y826 HydrophobicContact CB-CD1 4.32Å; F780-Y826 HydrophobicContact CB-CE1 4.08Å; F780-Y826 HydrophobicContact CD2-CD1 4.02Å; F780-Y826 HydrophobicContact CD2-CD2 4.16Å; F780-Y826 AromaticContact CD2-CE1 3.5Å; F780-Y826 HydrophobicContact CD2-CE1 3.5Å; F780-Y826 AromaticContact CD2-CE2 3.67Å; F780-Y826 HydrophobicContact CD2-CE2 3.67Å; F780-Y826 HydrophobicContact CD2-CG 4.31Å; F780-Y826 AromaticContact CD2-CZ 3.31Å; F780-Y826 HydrophobicContact CE2-CE1 4.31Å; F780-Y826 AromaticContact CE2-CE2 3.79Å; F780-Y826 HydrophobicContact CE2-CE2 3.79Å; F780-Y826 AromaticContact CE2-CZ 3.66Å; F780-Y826 HydrophobicContact CG-CE1 4.11Å; L785-Y826 HydrophobicContact CD1-CD1 4.32Å; L785-Y826 HydrophobicContact CD1-CE1 4.26Å; L813-Y826 HydrophobicContact CD2-CD1 3.8Å; L813-Y826 HydrophobicContact CD2-CE1 4.2Å; I815-Y826 HydrophobicContact CD1-CD1 4.06Å; I815-Y826 HydrophobicContact CD1-CE1 3.43Å; I815-Y826 VanDerWaalsContact CD1-CE1 3.43Å; I815-Y826 HydrophobicContact CD1-CE2 4.13Å; I815-Y826 VanDerWaalsContact CD1-CZ 3.46Å; N822-Y826 WeakPolarHBondContact CB-OH 3.35Å; N822-Y826 WeakPolarHBondContact O-CE2 3.5Å; N822-Y826 PolarHBondContact O-OH 2.85Å; Y826-S840 CarbonylContact O-C 3.53Å; Y826-S840 WeakPolarHBondContact O-CA 3.09Å; Y826-G841 PolarHBondContact N-O 3.04Å; Y826-G841 PolarHBondContact O-N 3.32Å; Y826-I843 HydrophobicContact CD2-CG1 4.22Å; Y826-I843 HydrophobicContact CE2-CB 4.28Å; Y826-I843 HydrophobicContact CE2-CG1 4.3Å |
| 827 | T | 92.1 | Very high | 82.7 | Confident | 22 Ų | 22 | 42.4 Ų | 42.4 | 14% | 0.135 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.1 | 179.6 | -53.3 | 0 | 0 | 0 | 0 | 110.4 | W778 Y779 S839 S840 | W778-T827 CarbonylContact C-O 3.43Å; W778-T827 VanDerWaalsContact CA-O 3.31Å; W778-T827 WeakPolarHBondContact CA-O 3.47Å; W778-T827 VanDerWaalsContact CE3-C 3.46Å; Y779-T827 PolarHBondContact N-O 2.91Å; Y779-T827 PolarHBondContact O-N 3.15Å; T827-S839 CarbonylContact C-O 3.53Å; T827-S839 WeakPolarHBondContact CA-O 3.25Å; T827-S840 WeakPolarHBondContact CB-OG 3.39Å; T827-S840 WeakPolarHBondContact CG2-OG 3.49Å; T827-S840 WeakPolarHBondContact OG1-CB 3.03Å; T827-S840 PolarHBondContact OG1-OG 2.63Å |
| 828 | C | 92.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 132.7 | 167 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | C764 W778 S838 S839 | C764-C828 HydrophobicContact CB-CB 3.66Å; C764-C828 WeakPolarHBondContact CB-SG 3.35Å; C764-C828 WeakPolarHBondContact SG-CB 3.48Å; C764-C828 CovalentContact SG-SG 2.02Å; C764-C828 PolarHBondContact SG-SG 2.91Å; W778-C828 HydrophobicContact CD2-CB 3.97Å; W778-C828 HydrophobicContact CE3-CB 4.02Å; W778-C828 HydrophobicContact CH2-CB 3.64Å; W778-C828 HydrophobicContact CZ2-CB 3.57Å; W778-C828 HydrophobicContact CZ3-CB 3.85Å; C828-S838 CarbonylContact O-C 3.52Å; C828-S838 WeakPolarHBondContact O-CA 3.13Å; C828-S838 VanDerWaalsContact O-CB 3.27Å; C828-S838 WeakPolarHBondContact O-CB 3.21Å; C828-S839 PolarHBondContact N-O 3.43Å; C828-S839 PolarHBondContact O-N 3.08Å |
| 829 | A | 89.6 | Confident | 83.5 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.033 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 130.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110 | Y776 A777 Y779 Q837 | Y776-A829 CarbonylContact C-O 3.48Å; Y776-A829 WeakPolarHBondContact CA-O 3.43Å; A777-A829 HydrophobicContact CB-CB 4.5Å; A777-A829 PolarHBondContact N-O 2.69Å; A777-A829 PolarHBondContact O-N 2.98Å; A777-A829 VanDerWaalsContact O-O 3.08Å; Y779-A829 HydrophobicContact CD2-CB 4.35Å; Y779-A829 HydrophobicContact CE2-CB 3.73Å; A829-Q837 CarbonylContact C-O 3.45Å; A829-Q837 VanDerWaalsContact CA-O 3.23Å; A829-Q837 WeakPolarHBondContact CA-O 2.91Å |
| 830 | A | 86.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109 | L743 M745 V766 V774 N775 Y776 S836 Q837 | L743-A830 HydrophobicContact CD2-CB 3.98Å; L743-A830 VanDerWaalsContact CD2-O 3.25Å; L743-A830 WeakPolarHBondContact CD2-O 3.49Å; M745-A830 HydrophobicContact CE-CB 4.12Å; V766-A830 HydrophobicContact CB-CB 4.47Å; V766-A830 HydrophobicContact CG1-CB 3.32Å; V766-A830 HydrophobicContact CG2-CB 4.46Å; V774-A830 HydrophobicContact CG1-CB 4.16Å; N775-A830 CarbonylContact O-C 3.49Å; N775-A830 WeakPolarHBondContact O-CA 3.46Å; Y776-A830 HydrophobicContact CD1-CB 3.82Å; Y776-A830 HydrophobicContact CE1-CB 3.59Å; A830-S836 CarbonylContact O-C 3.59Å; A830-S836 WeakPolarHBondContact O-CA 3.36Å; A830-Q837 PolarHBondContact N-O 3.09Å; A830-Q837 PolarHBondContact O-N 3.1Å |
| 831 | E | 81 | Confident | 84.2 | Confident | 61 Ų | 61 | 43 Ų | 43 | 29% | 0.285 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 136.4 | -166 | -49.7 | -170.1 | 150.1 | 0 | 0 | 110.3 | V774 N775 N835 S836 | V774-E831 CarbonylContact C-O 3.53Å; V774-E831 WeakPolarHBondContact CA-O 3.38Å; N775-E831 PolarHBondContact N-O 3.39Å; N775-E831 PolarHBondContact O-N 3.45Å; E831-N835 CarbonylContact C-O 3.51Å; E831-N835 WeakPolarHBondContact CA-O 3.15Å; E831-S836 WeakPolarHBondContact CG-OG 3.43Å; E831-S836 PolarHBondContact OE1-OG 2.8Å |
| 832 | T | 76.4 | Confident | 84.4 | Confident | 17 Ų | 17 | 38.2 Ų | 38.2 | 10% | 0.104 | 23% | 0.233 | C | C | . | . | trans | -117 | 167.7 | 167.3 | 58.9 | 0 | 0 | 0 | 0 | 107.4 | L743 L772 V774 L834 N835 | L743-T832 HydrophobicContact CD1-CG2 4.06Å; L772-T832 HydrophobicContact CB-CG2 4.07Å; L772-T832 HydrophobicContact CD1-CG2 4.27Å; V774-T832 HydrophobicContact CG2-CG2 3.98Å; T832-L834 PolarHBondContact O-N 2.86Å; T832-L834 PolarHBondContact OG1-N 3.37Å; T832-N835 PolarHBondContact N-O 2.92Å; T832-N835 PolarHBondContact O-N 2.88Å; T832-N835 PolarHBondContact OG1-N 3.12Å; T832-N835 PolarHBondContact OG1-O 3.13Å; T832-N835 VanDerWaalsContact OG1-O 3.08Å | ||
| 833 | P | 66.9 | Low | 84.6 | Confident | 113 Ų | 113 | 37.8 Ų | 37.8 | 73% | 0.734 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -53.9 | -19.8 | 173.3 | -26.6 | 35.1 | 0 | 0 | 0 | 114.1 | ||
| 834 | L | 65.8 | Low | 84.6 | Confident | 69 Ų | 69 | 43.5 Ų | 43.5 | 36% | 0.361 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -107.6 | -25.5 | -173.9 | -55.3 | 179.1 | 0 | 0 | 0 | 114.1 | M651 I740 L772 T832 | M651-L834 HydrophobicContact CB-CB 4.4Å; M651-L834 HydrophobicContact CB-CD1 4.4Å; M651-L834 WeakPolarHBondContact CE-O 3.44Å; M651-L834 HydrophobicContact CG-CB 4.5Å; M651-L834 HydrophobicContact SD-CB 3.73Å; M651-L834 VanDerWaalsContact SD-O 3.39Å; I740-L834 HydrophobicContact CB-CD1 4.32Å; I740-L834 HydrophobicContact CD1-CD1 3.84Å; I740-L834 HydrophobicContact CG2-CD1 4.4Å; L772-L834 HydrophobicContact CD1-CD1 4.06Å; L772-L834 HydrophobicContact CD2-CD1 3.82Å; L772-L834 HydrophobicContact CD2-CG 4.22Å; T832-L834 PolarHBondContact O-N 2.86Å; T832-L834 PolarHBondContact OG1-N 3.37Å |
| 835 | N | 70.8 | Confident | 84.4 | Confident | 28 Ų | 28 | 43.9 Ų | 43.9 | 15% | 0.15 | 24% | 0.244 | C | C | . | . | trans | -158 | 152.1 | -170.5 | -165.3 | -33.7 | 0 | 0 | 0 | 113.4 | M651 E831 T832 | M651-N835 HydrophobicContact CE-CB 4.35Å; M651-N835 HydrophobicContact SD-CB 3.75Å; E831-N835 CarbonylContact C-O 3.51Å; E831-N835 WeakPolarHBondContact CA-O 3.15Å; T832-N835 PolarHBondContact N-O 2.92Å; T832-N835 PolarHBondContact O-N 2.88Å; T832-N835 PolarHBondContact OG1-N 3.12Å; T832-N835 PolarHBondContact OG1-O 3.13Å; T832-N835 VanDerWaalsContact OG1-O 3.08Å | ||
| 836 | S | 82.1 | Confident | 84 | Confident | 57 Ų | 57 | 41.5 Ų | 41.5 | 40% | 0.399 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 140 | 173.7 | 177.6 | 0 | 0 | 0 | 0 | 112.7 | A830 E831 | A830-S836 CarbonylContact O-C 3.59Å; A830-S836 WeakPolarHBondContact O-CA 3.36Å; E831-S836 WeakPolarHBondContact CG-OG 3.43Å; E831-S836 PolarHBondContact OE1-OG 2.8Å |
| 837 | Q | 85.1 | Confident | 83.7 | Confident | 79 Ų | 79 | 41.2 Ų | 41.2 | 37% | 0.369 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 147.2 | 175.1 | -75.6 | -68.6 | -42.7 | 0 | 0 | 110.8 | L743 M745 A829 A830 | L743-Q837 HydrophobicContact CB-CG 4.46Å; L743-Q837 HydrophobicContact CD2-CB 4.32Å; L743-Q837 HydrophobicContact CD2-CG 4.43Å; M745-Q837 HydrophobicContact CE-CB 4.26Å; M745-Q837 WeakPolarHBondContact CE-O 3.22Å; M745-Q837 HydrophobicContact CG-CB 4.11Å; A829-Q837 CarbonylContact C-O 3.45Å; A829-Q837 VanDerWaalsContact CA-O 3.23Å; A829-Q837 WeakPolarHBondContact CA-O 2.91Å; A830-Q837 PolarHBondContact N-O 3.09Å; A830-Q837 PolarHBondContact O-N 3.1Å |
| 838 | S | 90.1 | Very high | 83.4 | Confident | 77 Ų | 77 | 41.1 Ų | 41.1 | 54% | 0.538 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 155.7 | -179.8 | 67.2 | 0 | 0 | 0 | 0 | 116.2 | C828 | C828-S838 CarbonylContact O-C 3.52Å; C828-S838 WeakPolarHBondContact O-CA 3.13Å; C828-S838 VanDerWaalsContact O-CB 3.27Å; C828-S838 WeakPolarHBondContact O-CB 3.21Å |
| 839 | S | 91.6 | Very high | 83.2 | Confident | 34 Ų | 34 | 41.3 Ų | 41.3 | 24% | 0.238 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 150.7 | 177.8 | -178 | 0 | 0 | 0 | 0 | 112.6 | T748 T827 C828 | T748-S839 WeakPolarHBondContact CB-OG 3.44Å; T748-S839 WeakPolarHBondContact CG2-OG 3.33Å; T827-S839 CarbonylContact C-O 3.53Å; T827-S839 WeakPolarHBondContact CA-O 3.25Å; C828-S839 PolarHBondContact N-O 3.43Å; C828-S839 PolarHBondContact O-N 3.08Å |
| 840 | S | 90.7 | Very high | 82.9 | Confident | 52 Ų | 52 | 41.1 Ų | 41.1 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 159.9 | -171.2 | -37.4 | 0 | 0 | 0 | 0 | 116.8 | N825 Y826 T827 | N825-S840 WeakPolarHBondContact OD1-CB 2.93Å; Y826-S840 CarbonylContact O-C 3.53Å; Y826-S840 WeakPolarHBondContact O-CA 3.09Å; T827-S840 WeakPolarHBondContact CB-OG 3.39Å; T827-S840 WeakPolarHBondContact CG2-OG 3.49Å; T827-S840 WeakPolarHBondContact OG1-CB 3.03Å; T827-S840 PolarHBondContact OG1-OG 2.63Å |
| 841 | G | 89.6 | Confident | 83 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 152.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N825 Y826 | N825-G841 PolarHBondContact OD1-N 3.38Å; N825-G841 PolarHBondContact OD1-O 2.92Å; Y826-G841 PolarHBondContact N-O 3.04Å; Y826-G841 PolarHBondContact O-N 3.32Å |
| 842 | V | 86.4 | Confident | 83.4 | Confident | 56 Ų | 56 | 41.1 Ų | 41.1 | 34% | 0.339 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 130.5 | -167.5 | -178.5 | 0 | 0 | 0 | 0 | 113.8 | S751 R752 G824 N825 | S751-V842 CarbonylContact C-O 3.59Å; S751-V842 WeakPolarHBondContact CA-O 3.32Å; S751-V842 VanDerWaalsContact CB-O 3.24Å; S751-V842 WeakPolarHBondContact CB-O 3.49Å; S751-V842 PolarHBondContact OG-N 3.43Å; R752-V842 PolarHBondContact N-O 2.9Å; G824-V842 WeakPolarHBondContact O-CA 3.26Å; N825-V842 HydrophobicContact CB-CG2 4.2Å |
| 843 | I | 87.4 | Confident | 83.7 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 135.1 | 175.1 | -62.2 | -58.6 | 0 | 0 | 0 | 111.4 | R752 V754 V760 L762 S823 G824 Y826 I845 | R752-I843 HydrophobicContact CB-CD1 4.27Å; R752-I843 WeakPolarHBondContact O-CA 3.12Å; V754-I843 HydrophobicContact CB-CG2 4.09Å; V754-I843 HydrophobicContact CG2-CD1 4.24Å; V754-I843 HydrophobicContact CG2-CG2 3.74Å; V760-I843 HydrophobicContact CG2-CD1 4.25Å; L762-I843 HydrophobicContact CD2-CD1 4.03Å; L762-I843 HydrophobicContact CD2-CG1 4.31Å; S823-I843 CarbonylContact C-O 3.27Å; S823-I843 VanDerWaalsContact CA-O 3.27Å; S823-I843 WeakPolarHBondContact CA-O 3.27Å; S823-I843 PolarHBondContact OG-O 3.01Å; G824-I843 PolarHBondContact N-O 3.44Å; G824-I843 PolarHBondContact O-N 3.34Å; Y826-I843 HydrophobicContact CD2-CG1 4.22Å; Y826-I843 HydrophobicContact CE2-CB 4.28Å; Y826-I843 HydrophobicContact CE2-CG1 4.3Å; I843-I845 HydrophobicContact CG2-CG1 4.18Å |
| 844 | R | 82.5 | Confident | 84.4 | Confident | 172 Ų | 172 | 38.5 Ų | 38.5 | 65% | 0.649 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 143.1 | 173.9 | -70 | -177.2 | 177.4 | 173.9 | -0.3 | 111.6 | R752 V753 V754 | R752-R844 PolarHBondContact O-N 2.95Å; V753-R844 CarbonylContact C-O 3.59Å; V753-R844 VanDerWaalsContact CA-O 3.26Å; V753-R844 WeakPolarHBondContact CA-O 3.48Å; V753-R844 HydrophobicContact CG2-CB 4.28Å; V754-R844 PolarHBondContact N-O 2.89Å |
| 845 | I | 84.7 | Confident | 85.4 | Confident | 14 Ų | 14 | 35.8 Ų | 35.8 | 7% | 0.072 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130 | -163.5 | -54.7 | 169.9 | 0 | 0 | 0 | 112.8 | V754 R756 V818 Q819 F820 N822 S823 I843 | V754-I845 CarbonylContact O-C 3.19Å; V754-I845 VanDerWaalsContact O-CA 3.25Å; V754-I845 WeakPolarHBondContact O-CA 3.22Å; R756-I845 HydrophobicContact CB-CG2 4.31Å; V818-I845 HydrophobicContact CG1-CD1 3.35Å; V818-I845 HydrophobicContact CG1-CG1 3.78Å; V818-I845 HydrophobicContact CG1-CG2 4.29Å; Q819-I845 WeakPolarHBondContact O-CD1 3.31Å; F820-I845 HydrophobicContact CD1-CB 4.05Å; F820-I845 HydrophobicContact CD1-CG2 3.74Å; F820-I845 HydrophobicContact CE1-CG2 4.15Å; N822-I845 HydrophobicContact CB-CD1 3.97Å; S823-I845 VanDerWaalsContact N-CD1 3.25Å; I843-I845 HydrophobicContact CG2-CG1 4.18Å |
| 846 | A | 81.4 | Confident | 86 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 3% | 0.033 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 144.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V754 Y755 R756 L877 F878 | V754-A846 PolarHBondContact O-N 2.84Å; Y755-A846 HydrophobicContact CD1-CB 4.05Å; Y755-A846 HydrophobicContact CE1-CB 4.34Å; R756-A846 WeakPolarHBondContact CB-O 3.34Å; R756-A846 PolarHBondContact N-O 3.05Å; A846-L877 HydrophobicContact CB-CB 4.43Å; A846-L877 HydrophobicContact CB-CD1 3.85Å; A846-F878 HydrophobicContact CB-CE2 4.19Å |
| 847 | G | 84.3 | Confident | 86 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | trans | -177.6 | -167.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | F820 H876 N939 L941 | F820-G847 VanDerWaalsContact CZ-CA 3.46Å; G847-H876 PolarHBondContact N-O 2.91Å; G847-H876 WeakPolarHBondContact O-CB 3.42Å; G847-N939 PolarHBondContact O-ND2 2.84Å; G847-L941 VanDerWaalsContact CA-CD1 3.45Å | ||
| 848 | P | 85.7 | Confident | 85.5 | Confident | 20 Ų | 20 | 35.9 Ų | 35.9 | 13% | 0.13 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -61.4 | 160.7 | 176.7 | -22.3 | 33.5 | 0 | 0 | 0 | 113 | H876 L941 | P848-H876 PolarHBondContact O-ND1 3.1Å; P848-L941 HydrophobicContact CG-CB 4.18Å |
| 849 | P | 87.6 | Confident | 84.3 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.019 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -64.8 | 156.6 | -172.1 | -19.8 | 34.4 | 0 | 0 | 0 | 113.9 | T874 I880 A937 N939 G942 G944 | P849-T874 CarbonylContact C-O 3.07Å; P849-T874 VanDerWaalsContact CA-O 3.27Å; P849-T874 WeakPolarHBondContact CA-O 3.43Å; P849-T874 WeakPolarHBondContact CB-O 3.48Å; P849-I880 HydrophobicContact CB-CD1 3.97Å; P849-I880 HydrophobicContact CB-CG1 3.78Å; P849-I880 HydrophobicContact CG-CD1 4.48Å; P849-I880 HydrophobicContact CG-CG1 3.75Å; P849-A937 HydrophobicContact CB-CB 4.13Å; P849-A937 HydrophobicContact CG-CB 4.5Å; P849-N939 WeakPolarHBondContact CD-ND2 3.41Å; P849-N939 HydrophobicContact CG-CB 3.64Å; P849-N939 WeakPolarHBondContact CG-ND2 3.46Å; P849-G942 WeakPolarHBondContact CD-O 3.48Å; P849-G944 WeakPolarHBondContact O-CA 3.36Å |
| 850 | G | 84.2 | Confident | 82.6 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -74.6 | 170.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T874 H876 | G850-T874 WeakPolarHBondContact CA-OG1 3.48Å; G850-T874 PolarHBondContact N-O 2.98Å; G850-T874 PolarHBondContact N-OG1 3.29Å; G850-H876 PolarHBondContact N-CE1 3.12Å |
| 851 | P | 87.8 | Confident | 80.6 | Confident | 58 Ų | 58 | 43.8 Ų | 43.8 | 38% | 0.377 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 145.6 | -177.5 | 26.9 | -34.1 | 0 | 0 | 0 | 112.4 | G873 E945 P946 | P851-G873 WeakPolarHBondContact O-CA 3.2Å; P851-E945 WeakPolarHBondContact CA-O 3.19Å; P851-E945 HydrophobicContact CB-CB 4.39Å; P851-P946 WeakPolarHBondContact CB-O 3.38Å |
| 852 | C | 90.1 | Very high | 78.8 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.014 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 156.5 | 174 | -66.6 | 0 | 0 | 0 | 0 | 111.3 | A871 V935 S947 | C852-A871 CarbonylContact C-O 3.56Å; C852-A871 WeakPolarHBondContact CA-O 3.48Å; C852-A871 VanDerWaalsContact CB-O 3.29Å; C852-A871 WeakPolarHBondContact CB-O 3.34Å; C852-V935 HydrophobicContact CB-CB 4.42Å; C852-S947 WeakPolarHBondContact O-CA 3.5Å; C852-S947 WeakPolarHBondContact O-CB 3.27Å |
| 853 | G | 83.6 | Confident | 77.2 | Confident | 30 Ų | 30 | 47.7 Ų | 47.7 | 31% | 0.309 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 139.1 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | A871 | G853-A871 PolarHBondContact N-O 2.85Å; G853-A871 WeakPolarHBondContact O-CB 3.29Å; G853-A871 PolarHBondContact O-N 3.2Å |
| 854 | G | 81.5 | Confident | 75.9 | Confident | 46 Ų | 46 | 51.5 Ų | 51.5 | 47% | 0.474 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 58.9 | 61.3 | 163 | 0 | 0 | 0 | 0 | 0 | 116.3 | V856 R917 | G854-V856 PolarHBondContact O-N 3.46Å; G854-R917 PolarHBondContact O-NH1 2.83Å; G854-R917 PolarHBondContact O-NH2 3.34Å |
| 855 | V | 87 | Confident | 75.2 | Confident | 12 Ų | 12 | 48.2 Ų | 48.2 | 7% | 0.073 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 122.4 | 179.2 | -174.6 | 0 | 0 | 0 | 0 | 111.6 | V868 S869 W870 I933 V935 S947 S950 | V855-V868 HydrophobicContact CG1-CG1 3.66Å; V855-S869 CarbonylContact C-O 3.58Å; V855-S869 WeakPolarHBondContact CA-O 3.26Å; V855-W870 HydrophobicContact CG2-CB 4.06Å; V855-I933 HydrophobicContact CG1-CG2 4.43Å; V855-V935 HydrophobicContact CG1-CG2 4.26Å; V855-V935 HydrophobicContact CG2-CB 4.38Å; V855-V935 HydrophobicContact CG2-CG2 3.94Å; V855-S947 WeakPolarHBondContact CG2-OG 3.17Å; V855-S950 WeakPolarHBondContact O-CB 3.28Å |
| 856 | V | 82.6 | Confident | 74.8 | Confident | 63 Ų | 63 | 47.8 Ų | 47.8 | 38% | 0.382 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 136.2 | 179.1 | 175.6 | 0 | 0 | 0 | 0 | 109.3 | G854 V868 S869 | G854-V856 PolarHBondContact O-N 3.46Å; V856-V868 WeakPolarHBondContact O-CA 3.49Å; V856-S869 PolarHBondContact N-O 3.02Å; V856-S869 PolarHBondContact O-N 3.05Å |
| 857 | V | 81.7 | Confident | 74.9 | Confident | 22 Ų | 22 | 48.9 Ų | 48.9 | 13% | 0.133 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 122.2 | -177 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | P859 V866 N867 V868 I933 S950 F953 | V857-P859 WeakPolarHBondContact O-CD 3.46Å; V857-V866 HydrophobicContact CG1-CB 3.7Å; V857-V866 HydrophobicContact CG1-CG1 4.27Å; V857-V866 HydrophobicContact CG1-CG2 3.79Å; V857-N867 CarbonylContact C-O 3.47Å; V857-N867 VanDerWaalsContact CA-O 3.28Å; V857-N867 WeakPolarHBondContact CA-O 3.42Å; V857-V868 HydrophobicContact CG2-CG2 4.37Å; V857-I933 HydrophobicContact CG1-CD1 4.17Å; V857-I933 HydrophobicContact CG2-CB 3.96Å; V857-I933 HydrophobicContact CG2-CD1 3.95Å; V857-I933 HydrophobicContact CG2-CG1 4.2Å; V857-S950 WeakPolarHBondContact CG2-OG 3.49Å; V857-F953 HydrophobicContact CB-CE1 4.47Å; V857-F953 HydrophobicContact CG1-CD1 4.15Å; V857-F953 HydrophobicContact CG1-CE1 3.78Å; V857-F953 HydrophobicContact CG1-CZ 4.24Å |
| 858 | D | 74.6 | Confident | 75 | Confident | 81 Ų | 81 | 48.9 Ų | 48.9 | 43% | 0.433 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 107.1 | 175.6 | -68.4 | -39.6 | 0 | 0 | 0 | 109.7 | N867 | D858-N867 HydrophobicContact CB-CB 4.39Å; D858-N867 PolarHBondContact N-O 2.9Å; D858-N867 PolarHBondContact O-N 2.84Å |
| 859 | P | 64.4 | Low | 75.2 | Confident | 76 Ų | 76 | 48.3 Ų | 48.3 | 49% | 0.494 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 136.3 | 177.3 | 29.4 | -31.3 | 0 | 0 | 0 | 111.8 | V857 V866 | V857-P859 WeakPolarHBondContact O-CD 3.46Å; P859-V866 HydrophobicContact CB-CG1 4.07Å |
| 860 | H | 56 | Low | 75.4 | Confident | 100 Ų | 100 | 48.2 Ų | 48.2 | 46% | 0.463 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -91.7 | 131.3 | 170.3 | -76.1 | -39.2 | 0 | 0 | 0 | 110.7 | G862 N867 | H860-G862 PolarHBondContact O-N 3.29Å; H860-N867 PolarHBondContact NE2-ND2 2.97Å; H860-N867 VanDerWaalsContact NE2-ND2 3.12Å |
| 861 | V | 50.1 | Low | 75.7 | Confident | 152 Ų | 152 | 49.9 Ų | 49.9 | 92% | 0.921 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 128 | -178.4 | -175.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 862 | G | 52.2 | Low | 75.6 | Confident | 77 Ų | 77 | 49.9 Ų | 49.9 | 79% | 0.794 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | 12.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | H860 | H860-G862 PolarHBondContact O-N 3.29Š|
| 863 | V | 50.7 | Low | 75.2 | Confident | 64 Ų | 64 | 50.8 Ų | 50.8 | 39% | 0.388 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -140.7 | 147.4 | 179.6 | -153 | 0 | 0 | 0 | 0 | 111.6 | R865 | V863-R865 HydrophobicContact CB-CG 3.92Å; V863-R865 HydrophobicContact CG1-CG 3.85Å; V863-R865 PolarHBondContact O-N 3.39Å |
| 864 | D | 61.8 | Low | 75.2 | Confident | 83 Ų | 83 | 53.1 Ų | 53.1 | 44% | 0.444 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -70.5 | 29 | -179.7 | 66.4 | -24 | 0 | 0 | 0 | 114.9 | R923 N924 | D864-R923 CarbonylContact O-C 3.57Å; D864-R923 WeakPolarHBondContact O-CA 3.37Å; D864-N924 PolarHBondContact O-N 2.79Å |
| 865 | R | 66.8 | Low | 75.2 | Confident | 103 Ų | 103 | 53.7 Ų | 53.7 | 39% | 0.389 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 142.7 | -172.8 | 59.2 | -177.1 | 162.8 | -162.4 | -8.5 | 113.9 | V863 V921 V922 R923 | V863-R865 HydrophobicContact CB-CG 3.92Å; V863-R865 HydrophobicContact CG1-CG 3.85Å; V863-R865 PolarHBondContact O-N 3.39Å; R865-V921 HydrophobicContact CB-CG1 4.36Å; R865-V922 CarbonylContact C-O 3.4Å; R865-V922 WeakPolarHBondContact CA-O 3.48Å; R865-R923 HydrophobicContact CB-CG 3.93Å |
| 866 | V | 77.3 | Confident | 75 | Confident | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.03 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 143.8 | 179.4 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | V857 P859 V868 V921 V922 L925 I933 F953 | V857-V866 HydrophobicContact CG1-CB 3.7Å; V857-V866 HydrophobicContact CG1-CG1 4.27Å; V857-V866 HydrophobicContact CG1-CG2 3.79Å; P859-V866 HydrophobicContact CB-CG1 4.07Å; V866-V868 HydrophobicContact CG2-CG2 4.3Å; V866-V921 WeakPolarHBondContact O-CA 3.42Å; V866-V922 HydrophobicContact CG2-CB 3.95Å; V866-V922 HydrophobicContact CG2-CG1 4.42Å; V866-V922 PolarHBondContact N-O 2.89Å; V866-V922 PolarHBondContact O-N 3.04Å; V866-L925 HydrophobicContact CG1-CD1 4.06Å; V866-L925 HydrophobicContact CG2-CD1 4.31Å; V866-I933 HydrophobicContact CG2-CD1 3.75Å; V866-F953 HydrophobicContact CG1-CD2 4.4Å; V866-F953 HydrophobicContact CG1-CE2 3.65Å; V866-F953 HydrophobicContact CG1-CZ 3.89Å; V866-F953 HydrophobicContact CG2-CZ 4.17Å |
| 867 | N | 83.5 | Confident | 75 | Confident | 28 Ų | 28 | 58.8 Ų | 58.8 | 15% | 0.15 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 137.4 | 173 | -61.5 | -27.8 | 0 | 0 | 0 | 109.9 | V857 D858 H860 M919 V921 | V857-N867 CarbonylContact C-O 3.47Å; V857-N867 VanDerWaalsContact CA-O 3.28Å; V857-N867 WeakPolarHBondContact CA-O 3.42Å; D858-N867 HydrophobicContact CB-CB 4.39Å; D858-N867 PolarHBondContact N-O 2.9Å; D858-N867 PolarHBondContact O-N 2.84Å; H860-N867 PolarHBondContact NE2-ND2 2.97Å; H860-N867 VanDerWaalsContact NE2-ND2 3.12Å; N867-M919 HydrophobicContact CB-CE 3.64Å; N867-V921 VanDerWaalsContact OD1-CG2 3.27Å; N867-V921 WeakPolarHBondContact OD1-CG2 3.2Å |
| 868 | V | 86.3 | Confident | 74.9 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 127.4 | -176.8 | -174.7 | 0 | 0 | 0 | 0 | 109.4 | V855 V856 V857 V866 W870 M919 T920 V922 I933 V935 | V855-V868 HydrophobicContact CG1-CG1 3.66Å; V856-V868 WeakPolarHBondContact O-CA 3.49Å; V857-V868 HydrophobicContact CG2-CG2 4.37Å; V866-V868 HydrophobicContact CG2-CG2 4.3Å; V868-W870 HydrophobicContact CG1-CE3 4.21Å; V868-W870 HydrophobicContact CG1-CZ3 4.37Å; V868-W870 WeakPolarHBondContact O-CZ3 3.36Å; V868-M919 CarbonylContact O-C 3.57Å; V868-M919 VanDerWaalsContact O-CA 3.25Å; V868-M919 WeakPolarHBondContact O-CA 3.19Å; V868-T920 PolarHBondContact N-O 2.95Å; V868-T920 PolarHBondContact O-N 3.03Å; V868-V922 HydrophobicContact CG2-CB 4.24Å; V868-V922 HydrophobicContact CG2-CG2 3.65Å; V868-I933 HydrophobicContact CG1-CG2 3.84Å; V868-I933 HydrophobicContact CG2-CD1 3.68Å; V868-I933 HydrophobicContact CG2-CG2 4.13Å; V868-V935 HydrophobicContact CG1-CG2 4.46Å |
| 869 | S | 90 | Very high | 75.3 | Confident | 9 Ų | 9 | 64.9 Ų | 64.9 | 6% | 0.063 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 148.1 | 176.8 | 75.5 | 0 | 0 | 0 | 0 | 114 | V855 V856 R917 R918 | V855-S869 CarbonylContact C-O 3.58Å; V855-S869 WeakPolarHBondContact CA-O 3.26Å; V856-S869 PolarHBondContact N-O 3.02Å; V856-S869 PolarHBondContact O-N 3.05Å; S869-R917 PolarHBondContact O-NH2 3.02Å; S869-R917 PolarHBondContact OG-NH2 3.07Å; S869-R917 VanDerWaalsContact OG-NH2 3.07Å; S869-R918 CarbonylContact C-O 3.5Å; S869-R918 WeakPolarHBondContact CA-O 3.39Å; S869-R918 WeakPolarHBondContact CB-O 3.38Å |
| 870 | W | 92 | Very high | 76.3 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 165.2 | -176.8 | 65.4 | 96 | 0 | 0 | 0 | 114.2 | V855 V868 F883 I885 T909 R917 R918 T920 V935 | V855-W870 HydrophobicContact CG2-CB 4.06Å; V868-W870 HydrophobicContact CG1-CE3 4.21Å; V868-W870 HydrophobicContact CG1-CZ3 4.37Å; V868-W870 WeakPolarHBondContact O-CZ3 3.36Å; W870-F883 HydrophobicContact CZ2-CB 4Å; W870-F883 HydrophobicContact CZ2-CD1 4.23Å; W870-F883 AromaticContact CZ2-CD2 3.78Å; W870-F883 HydrophobicContact CZ2-CD2 3.78Å; W870-F883 HydrophobicContact CZ2-CE2 4.3Å; W870-F883 AromaticContact CZ2-CG 3.73Å; W870-F883 HydrophobicContact CZ2-CG 3.73Å; W870-F883 AromaticContact NE1-CD1 3.5Å; W870-F883 AromaticContact NE1-CE1 3.49Å; W870-F883 AromaticContact NE1-CG 3.92Å; W870-F883 AromaticContact NE1-CZ 3.88Å; W870-I885 HydrophobicContact CH2-CD1 3.88Å; W870-I885 HydrophobicContact CH2-CG1 4.46Å; W870-I885 HydrophobicContact CZ3-CD1 4.01Å; W870-T909 HydrophobicContact CH2-CG2 3.99Å; W870-T909 HydrophobicContact CZ2-CG2 3.88Å; W870-R917 CarbonylContact O-C 3.48Å; W870-R917 VanDerWaalsContact O-CA 3.26Å; W870-R917 WeakPolarHBondContact O-CA 3.2Å; W870-R917 WeakPolarHBondContact O-CB 3.26Å; W870-R918 HydrophobicContact CD2-CB 4.33Å; W870-R918 HydrophobicContact CZ2-CB 4.04Å; W870-R918 PolarHBondContact N-O 2.86Å; W870-R918 PolarHBondContact O-N 2.83Å; W870-T920 HydrophobicContact CH2-CG2 3.84Å; W870-T920 HydrophobicContact CZ3-CG2 3.75Å; W870-V935 HydrophobicContact CB-CG2 4.42Å; W870-V935 HydrophobicContact CD2-CB 4.24Å; W870-V935 HydrophobicContact CD2-CG1 3.91Å; W870-V935 HydrophobicContact CD2-CG2 3.84Å; W870-V935 HydrophobicContact CE3-CG1 4.47Å; W870-V935 HydrophobicContact CE3-CG2 3.8Å; W870-V935 HydrophobicContact CG-CB 4.24Å; W870-V935 HydrophobicContact CG-CG1 4.18Å; W870-V935 HydrophobicContact CG-CG2 4.11Å; W870-V935 HydrophobicContact CZ2-CG1 4.01Å; W870-V935 HydrophobicContact CZ3-CG2 4.36Å |
| 871 | A | 89.2 | Confident | 77.8 | Confident | 37 Ų | 37 | 61 Ų | 61 | 31% | 0.306 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 148.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | C852 G853 | C852-A871 CarbonylContact C-O 3.56Å; C852-A871 WeakPolarHBondContact CA-O 3.48Å; C852-A871 VanDerWaalsContact CB-O 3.29Å; C852-A871 WeakPolarHBondContact CB-O 3.34Å; G853-A871 PolarHBondContact N-O 2.85Å; G853-A871 WeakPolarHBondContact O-CB 3.29Å; G853-A871 PolarHBondContact O-N 3.2Å |
| 872 | V | 85.6 | Confident | 79.9 | Confident | 58 Ų | 58 | 56.7 Ų | 56.7 | 35% | 0.352 | 32% | 0.32 | S | S | . | . | trans | -80.2 | 135.9 | -176.4 | -172.9 | 0 | 0 | 0 | 0 | 111.1 | I880 F883 R918 | V872-I880 HydrophobicContact CG1-CD1 3.45Å; V872-I880 VanDerWaalsContact CG1-CD1 3.45Å; V872-F883 HydrophobicContact CG1-CE1 4.46Å; V872-F883 HydrophobicContact CG1-CZ 4.38Å; V872-F883 HydrophobicContact CG2-CZ 4.02Å; V872-R918 HydrophobicContact CG2-CG 4.24Å | ||
| 873 | G | 82.3 | Confident | 81.8 | Confident | 20 Ų | 20 | 53 Ų | 53 | 21% | 0.206 | 28% | 0.283 | C | S | . | . | trans | -79.2 | -174.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | P851 I880 | P851-G873 WeakPolarHBondContact O-CA 3.2Å; G873-I880 WeakPolarHBondContact O-CD1 3.34Å | ||
| 874 | T | 83.9 | Confident | 83.8 | Confident | 80 Ų | 80 | 51.1 Ų | 51.1 | 49% | 0.491 | 27% | 0.269 | S | S | . | . | trans | -68.9 | 143.8 | 179 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | P849 G850 H876 | P849-T874 CarbonylContact C-O 3.07Å; P849-T874 VanDerWaalsContact CA-O 3.27Å; P849-T874 WeakPolarHBondContact CA-O 3.43Å; P849-T874 WeakPolarHBondContact CB-O 3.48Å; G850-T874 WeakPolarHBondContact CA-OG1 3.48Å; G850-T874 PolarHBondContact N-O 2.98Å; G850-T874 PolarHBondContact N-OG1 3.29Å; T874-H876 PolarHBondContact OG1-CD2 2.88Å; T874-H876 PolarHBondContact OG1-NE2 3.36Å | ||
| 875 | S | 80.4 | Confident | 85.1 | Confident | 58 Ų | 58 | 47.1 Ų | 47.1 | 41% | 0.406 | 25% | 0.248 | S | C | . | . | trans | -81.8 | -18.8 | -177.1 | 57.9 | 0 | 0 | 0 | 0 | 114.7 | L877 F878 N939 | S875-L877 PolarHBondContact O-N 2.98Å; S875-F878 CarbonylContact C-O 3.56Å; S875-F878 VanDerWaalsContact CB-O 3.3Å; S875-F878 WeakPolarHBondContact CB-O 3.25Å; S875-F878 PolarHBondContact O-N 2.89Å; S875-N939 PolarHBondContact O-ND2 3.26Å | ||
| 876 | H | 83 | Confident | 86.2 | Confident | 55 Ų | 55 | 42.7 Ų | 42.7 | 26% | 0.255 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 46.5 | -174.2 | -61.7 | 156.9 | 0 | 0 | 0 | 113.4 | F820 G847 P848 G850 T874 F878 | F820-H876 HydrophobicContact CE1-CB 3.95Å; F820-H876 AromaticContact CE1-CG 3.96Å; F820-H876 AromaticContact CE1-ND1 3.96Å; F820-H876 AromaticContact CE2-ND1 3.65Å; F820-H876 HydrophobicContact CZ-CB 3.95Å; F820-H876 AromaticContact CZ-CG 3.82Å; F820-H876 AromaticContact CZ-ND1 3.39Å; F820-H876 WeakPolarHBondContact CZ-ND1 3.33Å; G847-H876 PolarHBondContact N-O 2.91Å; G847-H876 WeakPolarHBondContact O-CB 3.42Å; P848-H876 PolarHBondContact O-ND1 3.1Å; G850-H876 PolarHBondContact N-CE1 3.12Å; T874-H876 PolarHBondContact OG1-CD2 2.88Å; T874-H876 PolarHBondContact OG1-NE2 3.36Å; H876-F878 VanDerWaalsContact C-N 3.31Å; H876-F878 PolarHBondContact O-N 2.94Å |
| 877 | L | 82.7 | Confident | 86.5 | Confident | 127 Ų | 127 | 42.4 Ų | 42.4 | 67% | 0.665 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 2.7 | 179.7 | -50.1 | 170.9 | 0 | 0 | 0 | 115.6 | A846 S875 | A846-L877 HydrophobicContact CB-CB 4.43Å; A846-L877 HydrophobicContact CB-CD1 3.85Å; S875-L877 PolarHBondContact O-N 2.98Å |
| 878 | F | 80 | Confident | 86.4 | Confident | 69 Ų | 69 | 41.1 Ų | 41.1 | 30% | 0.303 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -135 | 134 | 177.5 | -75.3 | -92.7 | 0 | 0 | 0 | 113.3 | Y755 A846 S875 H876 N939 A940 L941 | Y755-F878 HydrophobicContact CE1-CE2 4.48Å; Y755-F878 HydrophobicContact CE1-CZ 4.48Å; A846-F878 HydrophobicContact CB-CE2 4.19Å; S875-F878 CarbonylContact C-O 3.56Å; S875-F878 VanDerWaalsContact CB-O 3.3Å; S875-F878 WeakPolarHBondContact CB-O 3.25Å; S875-F878 PolarHBondContact O-N 2.89Å; H876-F878 VanDerWaalsContact C-N 3.31Å; H876-F878 PolarHBondContact O-N 2.94Å; F878-N939 HydrophobicContact CB-CB 4.28Å; F878-N939 VanDerWaalsContact CB-ND2 3.3Å; F878-N939 WeakPolarHBondContact CB-ND2 3.45Å; F878-N939 PolarHBondContact O-ND2 3.36Å; F878-A940 HydrophobicContact CD1-CB 4.49Å; F878-L941 HydrophobicContact CD1-CG 4.39Å; F878-L941 HydrophobicContact CD2-CD1 3.41Å; F878-L941 VanDerWaalsContact CD2-CD1 3.41Å; F878-L941 HydrophobicContact CD2-CG 4.01Å; F878-L941 HydrophobicContact CE2-CD1 3.51Å; F878-L941 HydrophobicContact CE2-CG 4.2Å; F878-L941 HydrophobicContact CG-CD1 4.02Å; F878-L941 HydrophobicContact CG-CG 4.11Å; F878-L941 HydrophobicContact CZ-CD1 4.17Å; F878-L941 HydrophobicContact CZ-CD2 4.47Å; F878-L941 HydrophobicContact CZ-CG 4.46Å |
| 879 | Q | 82.2 | Confident | 85.7 | Confident | 161 Ų | 161 | 41.5 Ų | 41.5 | 75% | 0.752 | 23% | 0.226 | S | C | * | . | trans | -62.5 | 134.9 | -173.4 | -174.5 | 179.8 | 7.9 | 0 | 0 | 114.4 | N939 | Q879-N939 WeakPolarHBondContact O-CA 3.48Å; Q879-N939 WeakPolarHBondContact O-CB 3.43Å | ||
| 880 | I | 86.6 | Confident | 84.5 | Confident | 14 Ų | 14 | 44.8 Ų | 44.8 | 7% | 0.072 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 132.1 | 177.7 | -61.7 | 168.1 | 0 | 0 | 0 | 111.4 | P849 V872 G873 F883 I906 A937 G938 | P849-I880 HydrophobicContact CB-CD1 3.97Å; P849-I880 HydrophobicContact CB-CG1 3.78Å; P849-I880 HydrophobicContact CG-CD1 4.48Å; P849-I880 HydrophobicContact CG-CG1 3.75Å; V872-I880 HydrophobicContact CG1-CD1 3.45Å; V872-I880 VanDerWaalsContact CG1-CD1 3.45Å; G873-I880 WeakPolarHBondContact O-CD1 3.34Å; I880-F883 HydrophobicContact CG2-CE1 4.27Å; I880-F883 HydrophobicContact CG2-CZ 4.3Å; I880-I906 HydrophobicContact CG2-CD1 4.26Å; I880-A937 HydrophobicContact CD1-CB 4.3Å; I880-A937 HydrophobicContact CG2-CB 3.83Å; I880-G938 CarbonylContact C-O 3.58Å |
| 881 | L | 87.9 | Confident | 83 | Confident | 82 Ų | 82 | 51.2 Ų | 51.2 | 43% | 0.429 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | -38 | -171.7 | -60.1 | 176.5 | 0 | 0 | 0 | 114.2 | I906 G938 | L881-I906 WeakPolarHBondContact O-CB 3.25Å; L881-I906 VanDerWaalsContact O-CG2 3.22Å; L881-I906 WeakPolarHBondContact O-CG2 3.37Å; L881-I906 PolarHBondContact O-N 3.41Å; L881-G938 PolarHBondContact N-O 3.39Å |
| 882 | Y | 92.8 | Very high | 81.3 | Confident | 60 Ų | 60 | 51.2 Ų | 51.2 | 24% | 0.235 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 171.4 | -174.2 | 64.7 | -85.3 | 0 | 0 | 0 | 113.2 | V904 A937 G938 L943 | Y882-V904 CarbonylContact C-O 3.52Å; Y882-V904 WeakPolarHBondContact CA-O 3.39Å; Y882-A937 CarbonylContact O-C 3.56Å; Y882-A937 WeakPolarHBondContact O-CA 3.37Å; Y882-G938 PolarHBondContact N-O 2.55Å; Y882-G938 PolarHBondContact O-N 2.79Å; Y882-L943 HydrophobicContact CD2-CD1 4.27Å; Y882-L943 HydrophobicContact CE2-CD1 3.56Å |
| 883 | F | 92.9 | Very high | 79.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 157.1 | 177.7 | -54 | -82.5 | 0 | 0 | 0 | 113.9 | W870 V872 I880 N903 V904 I906 T909 R918 V935 R936 A937 | W870-F883 HydrophobicContact CZ2-CB 4Å; W870-F883 HydrophobicContact CZ2-CD1 4.23Å; W870-F883 AromaticContact CZ2-CD2 3.78Å; W870-F883 HydrophobicContact CZ2-CD2 3.78Å; W870-F883 HydrophobicContact CZ2-CE2 4.3Å; W870-F883 AromaticContact CZ2-CG 3.73Å; W870-F883 HydrophobicContact CZ2-CG 3.73Å; W870-F883 AromaticContact NE1-CD1 3.5Å; W870-F883 AromaticContact NE1-CE1 3.49Å; W870-F883 AromaticContact NE1-CG 3.92Å; W870-F883 AromaticContact NE1-CZ 3.88Å; V872-F883 HydrophobicContact CG1-CE1 4.46Å; V872-F883 HydrophobicContact CG1-CZ 4.38Å; V872-F883 HydrophobicContact CG2-CZ 4.02Å; I880-F883 HydrophobicContact CG2-CE1 4.27Å; I880-F883 HydrophobicContact CG2-CZ 4.3Å; F883-N903 PolarHBondContact O-N 3.03Å; F883-V904 HydrophobicContact CB-CB 4.37Å; F883-V904 PolarHBondContact N-O 3.31Å; F883-V904 PolarHBondContact O-N 2.8Å; F883-I906 HydrophobicContact CE2-CB 4Å; F883-I906 HydrophobicContact CE2-CD1 4.22Å; F883-I906 HydrophobicContact CE2-CG1 3.79Å; F883-I906 HydrophobicContact CZ-CD1 4.08Å; F883-I906 HydrophobicContact CZ-CG1 4.16Å; F883-T909 HydrophobicContact CD2-CG2 3.94Å; F883-T909 HydrophobicContact CE2-CG2 4.25Å; F883-R918 VanDerWaalsContact CZ-CD 3.48Å; F883-V935 HydrophobicContact CB-CG1 4.05Å; F883-V935 HydrophobicContact CD1-CG1 4.14Å; F883-V935 HydrophobicContact CG-CG1 4.4Å; F883-R936 CarbonylContact C-O 3.57Å; F883-R936 WeakPolarHBondContact CA-O 3.14Å; F883-R936 WeakPolarHBondContact CB-O 3.21Å; F883-A937 HydrophobicContact CD1-CB 3.91Å; F883-A937 HydrophobicContact CE1-CB 3.85Å |
| 884 | Q | 92.5 | Very high | 78.3 | Confident | 24 Ų | 24 | 54.4 Ų | 54.4 | 11% | 0.112 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 135.1 | 171.7 | 174.7 | 173.2 | -58.4 | 0 | 0 | 109.6 | E886 I899 A901 V935 R936 L943 | Q884-E886 HydrophobicContact CG-CG 4.37Å; Q884-E886 PolarHBondContact NE2-OE1 2.69Å; Q884-I899 HydrophobicContact CG-CG1 4.48Å; Q884-I899 HydrophobicContact CG-CG2 4.07Å; Q884-A901 CarbonylContact C-O 3.58Å; Q884-A901 WeakPolarHBondContact CA-O 3.16Å; Q884-V935 CarbonylContact O-C 3.48Å; Q884-V935 WeakPolarHBondContact O-CA 3.28Å; Q884-R936 HydrophobicContact CB-CB 4.3Å; Q884-R936 PolarHBondContact N-O 2.82Å; Q884-R936 PolarHBondContact O-N 3.4Å; Q884-L943 HydrophobicContact CB-CD1 4.17Å; Q884-L943 HydrophobicContact CB-CD2 4.31Å |
| 885 | I | 89.2 | Confident | 77.4 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 128.2 | -172.4 | -54.3 | 169.8 | 0 | 0 | 0 | 108.6 | W870 M900 A901 V904 T920 V922 I933 V935 | W870-I885 HydrophobicContact CH2-CD1 3.88Å; W870-I885 HydrophobicContact CH2-CG1 4.46Å; W870-I885 HydrophobicContact CZ3-CD1 4.01Å; I885-M900 PolarHBondContact O-N 2.85Å; I885-A901 HydrophobicContact CB-CB 4.31Å; I885-A901 HydrophobicContact CD1-CB 4.3Å; I885-A901 PolarHBondContact N-O 3.03Å; I885-A901 PolarHBondContact O-N 3.2Å; I885-V904 HydrophobicContact CD1-CG2 4.28Å; I885-T920 HydrophobicContact CD1-CG2 3.07Å; I885-V922 HydrophobicContact CG2-CG2 4.01Å; I885-I933 HydrophobicContact CG2-CG2 3.6Å; I885-V935 HydrophobicContact CG1-CG1 4.3Å; I885-V935 HydrophobicContact CG1-CG2 4.22Å; I885-V935 HydrophobicContact CG2-CG2 4.49Å |
| 886 | E | 89.9 | Confident | 77.1 | Confident | 9 Ų | 9 | 59 Ų | 59 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 143.3 | -173.5 | -60.4 | 171 | -177.4 | 0 | 0 | 110 | Q884 W897 M898 I899 I933 R934 R936 | Q884-E886 HydrophobicContact CG-CG 4.37Å; Q884-E886 PolarHBondContact NE2-OE1 2.69Å; E886-W897 HydrophobicContact CB-CB 4.15Å; E886-W897 HydrophobicContact CB-CE3 3.92Å; E886-W897 WeakPolarHBondContact O-CZ3 3.27Å; E886-M898 CarbonylContact C-O 3.57Å; E886-M898 WeakPolarHBondContact CA-O 3.36Å; E886-I899 HydrophobicContact CG-CG1 4.25Å; E886-I933 CarbonylContact O-C 3.55Å; E886-I933 WeakPolarHBondContact O-CA 3.48Å; E886-I933 WeakPolarHBondContact O-CG2 3.12Å; E886-R934 HydrophobicContact CB-CG 4.06Å; E886-R934 PolarHBondContact N-O 3.47Å; E886-R934 PolarHBondContact O-N 3.07Å; E886-R934 IonicContact OE2-CZ 2.93Å; E886-R934 IonicContact OE2-NE 3.72Å; E886-R934 PolarHBondContact OE2-NE 3.33Å; E886-R934 IonicContact OE2-NH2 3.87Å; E886-R934 PolarHBondContact OE2-NH2 3.18Å; E886-R936 VanDerWaalsContact OE1-CD 3.25Å; E886-R936 WeakPolarHBondContact OE1-CD 3.47Å; E886-R936 IonicContact OE1-NH1 2.74Å |
| 887 | A | 84.2 | Confident | 77 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 145.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | W897 M898 M900 Y931 R932 I933 | A887-W897 WeakPolarHBondContact O-CA 3.24Å; A887-M898 PolarHBondContact N-O 2.98Å; A887-M898 PolarHBondContact O-N 2.85Å; A887-M900 HydrophobicContact CB-CG 3.44Å; A887-M900 VanDerWaalsContact CB-CG 3.44Å; A887-M900 HydrophobicContact CB-SD 3.93Å; A887-Y931 HydrophobicContact CB-CD1 4.37Å; A887-R932 CarbonylContact C-O 3.58Å; A887-R932 WeakPolarHBondContact CA-O 3.42Å; A887-I933 HydrophobicContact CB-CG1 4.09Å |
| 888 | N | 80.7 | Confident | 76.8 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 123.8 | 175.7 | 169.4 | -107.9 | 0 | 0 | 0 | 109.5 | N895 Q896 W897 Y931 R932 | N888-N895 WeakPolarHBondContact ND2-CA 3.21Å; N888-N895 PolarHBondContact ND2-N 2.84Å; N888-Q896 PolarHBondContact ND2-N 2.97Å; N888-Q896 PolarHBondContact ND2-O 3.11Å; N888-W897 HydrophobicContact CB-CD2 3.65Å; N888-W897 HydrophobicContact CB-CE3 3.68Å; N888-W897 HydrophobicContact CB-CG 4.28Å; N888-W897 HydrophobicContact CB-CH2 3.85Å; N888-W897 HydrophobicContact CB-CZ2 3.83Å; N888-W897 HydrophobicContact CB-CZ3 3.79Å; N888-Y931 WeakPolarHBondContact O-CA 3.43Å; N888-R932 HydrophobicContact CB-CG 3.96Å; N888-R932 PolarHBondContact N-O 2.89Å; N888-R932 PolarHBondContact O-N 3.5Å; N888-R932 PolarHBondContact OD1-NE 2.91Å; N888-R932 PolarHBondContact OD1-NH2 3.05Å |
| 889 | A | 71.6 | Confident | 76.9 | Confident | 7 Ų | 7 | 58.3 Ų | 58.3 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 122.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | Y891 M929 A930 Y931 | A889-Y891 PolarHBondContact O-N 2.82Å; A889-M929 HydrophobicContact CB-CE 3.84Å; A889-A930 CarbonylContact C-O 3.49Å; A889-A930 WeakPolarHBondContact CA-O 2.92Å; A889-Y931 HydrophobicContact CB-CD1 4.22Å; A889-Y931 HydrophobicContact CB-CE1 3.86Å |
| 890 | M | 64.8 | Low | 76.9 | Confident | 78 Ų | 78 | 53.3 Ų | 53.3 | 38% | 0.384 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -19.7 | -164.2 | -153.6 | 169.3 | -172.5 | 0 | 0 | 113.9 | A930 | M890-A930 HydrophobicContact CB-CB 4.06Å; M890-A930 PolarHBondContact N-O 2.78Å; M890-A930 HydrophobicContact SD-CB 4.49Å |
| 891 | Y | 60.7 | Low | 76.6 | Confident | 135 Ų | 135 | 53.9 Ų | 53.9 | 53% | 0.529 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -4.4 | -171.9 | -61.5 | -67.7 | 0 | 0 | 0 | 116.1 | A889 A930 | A889-Y891 PolarHBondContact O-N 2.82Å; Y891-A930 HydrophobicContact CE2-CB 4.27Å |
| 892 | D | 52.7 | Low | 76.4 | Confident | 37 Ų | 37 | 53.4 Ų | 53.4 | 20% | 0.198 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -162 | 110.5 | -178.3 | -166.1 | 13.4 | 0 | 0 | 0 | 116.2 | K985 V987 | D892-K985 WeakPolarHBondContact OD2-CB 3.32Å; D892-K985 WeakPolarHBondContact OD2-CD 3.49Å; D892-V987 HydrophobicContact CB-CG1 3.67Å; D892-V987 VanDerWaalsContact OD2-CG2 3.28Å; D892-V987 WeakPolarHBondContact OD2-CG2 3.48Å |
| 893 | P | 49.4 | Very low | 75.8 | Confident | 54 Ų | 54 | 55.9 Ų | 55.9 | 35% | 0.351 | 29% | 0.294 | S | S | . | . | S | Bend | cis | -75.7 | 144.9 | -26.6 | 26.8 | -23.9 | 0 | 0 | 0 | 110.4 | N895 Q896 | P893-N895 PolarHBondContact O-N 2.88Å; P893-Q896 VanDerWaalsContact CD-OE1 3.24Å; P893-Q896 HydrophobicContact CG-CB 3.73Å; P893-Q896 HydrophobicContact CG-CG 4.46Å; P893-Q896 PolarHBondContact O-N 3.07Å; P893-Q896 VanDerWaalsContact O-N 3.15Å |
| 894 | P | 57.1 | Low | 75.5 | Confident | 92 Ų | 92 | 56.7 Ų | 56.7 | 60% | 0.597 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 130.2 | 179.6 | 21.7 | -31.2 | 0 | 0 | 0 | 109.8 | ||
| 895 | N | 64.4 | Low | 75.2 | Confident | 116 Ų | 116 | 57.5 Ų | 57.5 | 62% | 0.62 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 6.8 | -179.1 | -51.3 | -42.5 | 0 | 0 | 0 | 118.3 | N888 P893 W897 R932 | N888-N895 WeakPolarHBondContact ND2-CA 3.21Å; N888-N895 PolarHBondContact ND2-N 2.84Å; P893-N895 PolarHBondContact O-N 2.88Å; N895-W897 VanDerWaalsContact O-CD1 3.28Å; N895-R932 PolarHBondContact OD1-NH2 2.98Å |
| 896 | Q | 73.3 | Confident | 75 | Confident | 117 Ų | 117 | 59.6 Ų | 59.6 | 55% | 0.547 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 124 | 168.7 | -170 | 173.5 | 9.4 | 0 | 0 | 111.5 | N888 P893 | N888-Q896 PolarHBondContact ND2-N 2.97Å; N888-Q896 PolarHBondContact ND2-O 3.11Å; P893-Q896 VanDerWaalsContact CD-OE1 3.24Å; P893-Q896 HydrophobicContact CG-CB 3.73Å; P893-Q896 HydrophobicContact CG-CG 4.46Å; P893-Q896 PolarHBondContact O-N 3.07Å; P893-Q896 VanDerWaalsContact O-N 3.15Å |
| 897 | W | 81.2 | Confident | 74.7 | Confident | 45 Ų | 45 | 64.1 Ų | 64.1 | 17% | 0.17 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -103.8 | 117 | -178.5 | -72.6 | 91.1 | 0 | 0 | 0 | 109.8 | E886 A887 N888 N895 R932 R934 P949 | E886-W897 HydrophobicContact CB-CB 4.15Å; E886-W897 HydrophobicContact CB-CE3 3.92Å; E886-W897 WeakPolarHBondContact O-CZ3 3.27Å; A887-W897 WeakPolarHBondContact O-CA 3.24Å; N888-W897 HydrophobicContact CB-CD2 3.65Å; N888-W897 HydrophobicContact CB-CE3 3.68Å; N888-W897 HydrophobicContact CB-CG 4.28Å; N888-W897 HydrophobicContact CB-CH2 3.85Å; N888-W897 HydrophobicContact CB-CZ2 3.83Å; N888-W897 HydrophobicContact CB-CZ3 3.79Å; N895-W897 VanDerWaalsContact O-CD1 3.28Å; W897-R932 HydrophobicContact CH2-CB 4.42Å; W897-R932 HydrophobicContact CH2-CG 3.69Å; W897-R932 HydrophobicContact CZ2-CG 4.2Å; W897-R932 HydrophobicContact CZ3-CG 4.45Å; W897-R932 VanDerWaalsContact CZ3-O 3.26Å; W897-R932 WeakPolarHBondContact CZ3-O 3.19Å; W897-R934 VanDerWaalsContact CD2-CD 3.44Å; W897-R934 HydrophobicContact CD2-CG 4.03Å; W897-R934 VanDerWaalsContact CD2-NE 3.27Å; W897-R934 HydrophobicContact CE3-CB 4.35Å; W897-R934 HydrophobicContact CE3-CG 3.54Å; W897-R934 HydrophobicContact CH2-CB 3.96Å; W897-R934 HydrophobicContact CH2-CG 3.96Å; W897-R934 HydrophobicContact CZ2-CG 4.41Å; W897-R934 HydrophobicContact CZ3-CB 3.8Å; W897-R934 HydrophobicContact CZ3-CG 3.51Å; W897-P949 HydrophobicContact CH2-CB 3.5Å; W897-P949 VanDerWaalsContact CH2-CB 3.5Å; W897-P949 HydrophobicContact CZ2-CB 3.82Å |
| 898 | M | 79.6 | Confident | 74.7 | Confident | 95 Ų | 95 | 68 Ų | 68 | 47% | 0.468 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 134.8 | 178.6 | -63.5 | -174.7 | -67.7 | 0 | 0 | 110 | E886 A887 M900 | E886-M898 CarbonylContact C-O 3.57Å; E886-M898 WeakPolarHBondContact CA-O 3.36Å; A887-M898 PolarHBondContact N-O 2.98Å; A887-M898 PolarHBondContact O-N 2.85Å; M898-M900 PolarHBondContact O-N 3.28Å |
| 899 | I | 82 | Confident | 74.9 | Confident | 97 Ų | 97 | 68.4 Ų | 68.4 | 50% | 0.497 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 112.7 | 176.2 | -59.3 | 172.8 | 0 | 0 | 0 | 108.3 | Q884 E886 | Q884-I899 HydrophobicContact CG-CG1 4.48Å; Q884-I899 HydrophobicContact CG-CG2 4.07Å; E886-I899 HydrophobicContact CG-CG1 4.25Å |
| 900 | M | 81.1 | Confident | 75.5 | Confident | 56 Ų | 56 | 74.8 Ų | 74.8 | 28% | 0.276 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -30.5 | 177.1 | -59.1 | -57.5 | -68.9 | 0 | 0 | 111.7 | I885 A887 M898 V922 R923 L925 | I885-M900 PolarHBondContact O-N 2.85Å; A887-M900 HydrophobicContact CB-CG 3.44Å; A887-M900 VanDerWaalsContact CB-CG 3.44Å; A887-M900 HydrophobicContact CB-SD 3.93Å; M898-M900 PolarHBondContact O-N 3.28Å; M900-V922 HydrophobicContact CB-CG1 3.76Å; M900-V922 HydrophobicContact CB-CG2 4.45Å; M900-V922 HydrophobicContact CE-CG1 3.7Å; M900-V922 HydrophobicContact CG-CG1 3.98Å; M900-R923 WeakPolarHBondContact CE-O 3.38Å; M900-L925 HydrophobicContact CE-CD2 3.81Å |
| 901 | A | 80.6 | Confident | 76.4 | Confident | 26 Ų | 26 | 74.7 Ų | 74.7 | 22% | 0.215 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 131.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110 | Q884 I885 V904 | Q884-A901 CarbonylContact C-O 3.58Å; Q884-A901 WeakPolarHBondContact CA-O 3.16Å; I885-A901 HydrophobicContact CB-CB 4.31Å; I885-A901 HydrophobicContact CD1-CB 4.3Å; I885-A901 PolarHBondContact N-O 3.03Å; I885-A901 PolarHBondContact O-N 3.2Å; A901-V904 HydrophobicContact CB-CG2 3.89Å |
| 902 | S | 83.6 | Confident | 77.5 | Confident | 72 Ų | 72 | 70.2 Ų | 70.2 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 158.8 | 175.9 | 56.3 | 0 | 0 | 0 | 0 | 111.2 | V904 | S902-V904 PolarHBondContact O-N 3.23Å; S902-V904 VanDerWaalsContact O-N 3.13Å |
| 903 | N | 81.2 | Confident | 78.5 | Confident | 113 Ų | 113 | 75.8 Ų | 75.8 | 60% | 0.604 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.5 | 37.3 | 175.2 | -61.2 | -20 | 0 | 0 | 0 | 114.5 | F883 S905 | F883-N903 PolarHBondContact O-N 3.03Å; N903-S905 PolarHBondContact O-N 3.24Å |
| 904 | V | 84.9 | Confident | 79.7 | Confident | 16 Ų | 16 | 79.3 Ų | 79.3 | 10% | 0.097 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 96.9 | 174.9 | -173 | 0 | 0 | 0 | 0 | 107.6 | Y882 F883 I885 A901 S902 I906 T909 | Y882-V904 CarbonylContact C-O 3.52Å; Y882-V904 WeakPolarHBondContact CA-O 3.39Å; F883-V904 HydrophobicContact CB-CB 4.37Å; F883-V904 PolarHBondContact N-O 3.31Å; F883-V904 PolarHBondContact O-N 2.8Å; I885-V904 HydrophobicContact CD1-CG2 4.28Å; A901-V904 HydrophobicContact CB-CG2 3.89Å; S902-V904 PolarHBondContact O-N 3.23Å; S902-V904 VanDerWaalsContact O-N 3.13Å; V904-I906 PolarHBondContact O-N 2.79Å; V904-T909 HydrophobicContact CG1-CG2 3.56Å |
| 905 | S | 86.1 | Confident | 80.7 | Confident | 42 Ų | 42 | 78.1 Ų | 78.1 | 29% | 0.294 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.2 | 139.4 | 179.5 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | N903 S907 S908 T909 | N903-S905 PolarHBondContact O-N 3.24Å; S905-S907 PolarHBondContact O-N 3.33Å; S905-S907 VanDerWaalsContact O-N 3.11Å; S905-S907 PolarHBondContact OG-N 2.8Å; S905-S907 PolarHBondContact OG-OG 2.85Å; S905-S908 PolarHBondContact N-OG 3.16Å; S905-S908 PolarHBondContact O-N 3.1Å; S905-S908 PolarHBondContact O-OG 2.82Å; S905-T909 PolarHBondContact O-N 2.67Å |
| 906 | I | 86.1 | Confident | 81.7 | Confident | 43 Ų | 43 | 76.5 Ų | 76.5 | 22% | 0.221 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -31.3 | 174.7 | -167.5 | 159.1 | 0 | 0 | 0 | 111.5 | I880 L881 F883 V904 T909 R918 | I880-I906 HydrophobicContact CG2-CD1 4.26Å; L881-I906 WeakPolarHBondContact O-CB 3.25Å; L881-I906 VanDerWaalsContact O-CG2 3.22Å; L881-I906 WeakPolarHBondContact O-CG2 3.37Å; L881-I906 PolarHBondContact O-N 3.41Å; F883-I906 HydrophobicContact CE2-CB 4Å; F883-I906 HydrophobicContact CE2-CD1 4.22Å; F883-I906 HydrophobicContact CE2-CG1 3.79Å; F883-I906 HydrophobicContact CZ-CD1 4.08Å; F883-I906 HydrophobicContact CZ-CG1 4.16Å; V904-I906 PolarHBondContact O-N 2.79Å; I906-T909 PolarHBondContact O-OG1 3.42Å; I906-R918 VanDerWaalsContact CG1-NH2 3.26Å; I906-R918 PolarHBondContact O-NH1 2.8Å |
| 907 | S | 83.4 | Confident | 82.4 | Confident | 104 Ų | 104 | 73.5 Ų | 73.5 | 73% | 0.727 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -25 | 175.7 | 60.4 | 0 | 0 | 0 | 0 | 114.4 | S905 | S905-S907 PolarHBondContact O-N 3.33Å; S905-S907 VanDerWaalsContact O-N 3.11Å; S905-S907 PolarHBondContact OG-N 2.8Å; S905-S907 PolarHBondContact OG-OG 2.85Å |
| 908 | S | 83.6 | Confident | 82.9 | Confident | 82 Ų | 82 | 73.4 Ų | 73.4 | 57% | 0.573 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -18.3 | -178.7 | 67.1 | 0 | 0 | 0 | 0 | 113.6 | S905 | S905-S908 PolarHBondContact N-OG 3.16Å; S905-S908 PolarHBondContact O-N 3.1Å; S905-S908 PolarHBondContact O-OG 2.82Å |
| 909 | T | 84.9 | Confident | 83.2 | Confident | 10 Ų | 10 | 70.5 Ų | 70.5 | 6% | 0.061 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -69.4 | 140.9 | 171.7 | 61.7 | 0 | 0 | 0 | 0 | 111.5 | W870 F883 V904 S905 I906 L911 R918 | W870-T909 HydrophobicContact CH2-CG2 3.99Å; W870-T909 HydrophobicContact CZ2-CG2 3.88Å; F883-T909 HydrophobicContact CD2-CG2 3.94Å; F883-T909 HydrophobicContact CE2-CG2 4.25Å; V904-T909 HydrophobicContact CG1-CG2 3.56Å; S905-T909 PolarHBondContact O-N 2.67Å; I906-T909 PolarHBondContact O-OG1 3.42Å; T909-L911 PolarHBondContact O-N 3.32Å; T909-R918 HydrophobicContact CG2-CB 4.46Å; T909-R918 WeakPolarHBondContact OG1-CD 3.2Å; T909-R918 PolarHBondContact OG1-NH1 2.84Å |
| 910 | K | 84.1 | Confident | 83.5 | Confident | 140 Ų | 140 | 67.7 Ų | 67.7 | 61% | 0.609 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 121.2 | 172.7 | -176 | 177.5 | 179.8 | -178.7 | 0 | 109.3 | L912 R918 M919 | K910-L912 HydrophobicContact CD-CD2 4.24Å; K910-L912 HydrophobicContact CG-CD2 4.33Å; K910-R918 CarbonylContact O-C 2.97Å; K910-R918 WeakPolarHBondContact O-CA 3.25Å; K910-M919 HydrophobicContact CB-CB 4.43Å; K910-M919 PolarHBondContact N-O 2.62Å; K910-M919 PolarHBondContact O-N 2.86Å |
| 911 | L | 85.2 | Confident | 83.5 | Confident | 76 Ų | 76 | 68 Ų | 68 | 40% | 0.398 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 117.2 | 171 | -172.5 | 69.7 | 0 | 0 | 0 | 109.3 | T909 D916 R917 R918 | T909-L911 PolarHBondContact O-N 3.32Å; L911-D916 HydrophobicContact CD1-CB 4.45Å; L911-R917 CarbonylContact C-O 3.57Å; L911-R918 HydrophobicContact CD1-CG 4.36Å |
| 912 | L | 83.1 | Confident | 83.3 | Confident | 42 Ų | 42 | 67 Ų | 67 | 22% | 0.22 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 111 | 176.5 | -58.6 | 175.2 | 0 | 0 | 0 | 108.8 | K910 S915 D916 R917 M919 | K910-L912 HydrophobicContact CD-CD2 4.24Å; K910-L912 HydrophobicContact CG-CD2 4.33Å; L912-S915 PolarHBondContact O-N 2.97Å; L912-S915 PolarHBondContact O-OG 3.12Å; L912-D916 WeakPolarHBondContact O-CA 3.48Å; L912-D916 PolarHBondContact O-N 3.06Å; L912-R917 HydrophobicContact CB-CB 4.48Å; L912-R917 WeakPolarHBondContact CB-O 3.36Å; L912-R917 HydrophobicContact CD1-CB 4.49Å; L912-R917 PolarHBondContact N-O 3.02Å; L912-R917 PolarHBondContact O-N 2.79Å; L912-M919 HydrophobicContact CD1-CB 3.75Å; L912-M919 HydrophobicContact CD1-CG 4.27Å; L912-M919 HydrophobicContact CD1-SD 3.98Å; L912-M919 HydrophobicContact CD2-CB 4.25Å; L912-M919 HydrophobicContact CD2-SD 3.88Å; L912-M919 HydrophobicContact CG-CB 3.95Å; L912-M919 HydrophobicContact CG-SD 4.39Å |
| 913 | K | 73.7 | Confident | 82.9 | Confident | 153 Ų | 153 | 70.8 Ų | 70.8 | 67% | 0.665 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 143.5 | 170.4 | -70.3 | -92 | 179.6 | -158.1 | 0 | 109 | D916 | K913-D916 WeakPolarHBondContact CD-OD1 3.24Å; K913-D916 VanDerWaalsContact CE-OD1 3.25Å; K913-D916 WeakPolarHBondContact CE-OD1 3.3Å; K913-D916 IonicContact NZ-OD1 3.68Å; K913-D916 PolarHBondContact NZ-OD1 2.87Å; K913-D916 IonicContact NZ-OD2 3.7Å |
| 914 | P | 73.7 | Confident | 82.4 | Confident | 128 Ų | 128 | 71.6 Ų | 71.6 | 83% | 0.831 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -87.9 | -3.2 | 5.6 | 34.5 | -35.1 | 0 | 0 | 0 | 114.7 | D916 | P914-D916 PolarHBondContact O-N 2.99Å; P914-D916 VanDerWaalsContact O-N 3.16Å |
| 915 | S | 79.6 | Confident | 81.8 | Confident | 68 Ų | 68 | 71.8 Ų | 71.8 | 48% | 0.476 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -10.9 | -172.7 | 60.6 | 0 | 0 | 0 | 0 | 115 | L912 R917 | L912-S915 PolarHBondContact O-N 2.97Å; L912-S915 PolarHBondContact O-OG 3.12Å; S915-R917 PolarHBondContact O-N 2.9Å |
| 916 | D | 84.8 | Confident | 80.9 | Confident | 82 Ų | 82 | 72 Ų | 72 | 44% | 0.439 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 26.2 | -171 | -72.2 | -30.1 | 0 | 0 | 0 | 113.1 | L911 L912 K913 P914 | L911-D916 HydrophobicContact CD1-CB 4.45Å; L912-D916 WeakPolarHBondContact O-CA 3.48Å; L912-D916 PolarHBondContact O-N 3.06Å; K913-D916 WeakPolarHBondContact CD-OD1 3.24Å; K913-D916 VanDerWaalsContact CE-OD1 3.25Å; K913-D916 WeakPolarHBondContact CE-OD1 3.3Å; K913-D916 IonicContact NZ-OD1 3.68Å; K913-D916 PolarHBondContact NZ-OD1 2.87Å; K913-D916 IonicContact NZ-OD2 3.7Å; P914-D916 PolarHBondContact O-N 2.99Å; P914-D916 VanDerWaalsContact O-N 3.16Å |
| 917 | R | 88.7 | Confident | 80 | Confident | 54 Ų | 54 | 71.6 Ų | 71.6 | 20% | 0.204 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 151.9 | 175.5 | -68.8 | 172.2 | 62.3 | 117 | 4.4 | 110.4 | G854 S869 W870 L911 L912 S915 | G854-R917 PolarHBondContact O-NH1 2.83Å; G854-R917 PolarHBondContact O-NH2 3.34Å; S869-R917 PolarHBondContact O-NH2 3.02Å; S869-R917 PolarHBondContact OG-NH2 3.07Å; S869-R917 VanDerWaalsContact OG-NH2 3.07Å; W870-R917 CarbonylContact O-C 3.48Å; W870-R917 VanDerWaalsContact O-CA 3.26Å; W870-R917 WeakPolarHBondContact O-CA 3.2Å; W870-R917 WeakPolarHBondContact O-CB 3.26Å; L911-R917 CarbonylContact C-O 3.57Å; L912-R917 HydrophobicContact CB-CB 4.48Å; L912-R917 WeakPolarHBondContact CB-O 3.36Å; L912-R917 HydrophobicContact CD1-CB 4.49Å; L912-R917 PolarHBondContact N-O 3.02Å; L912-R917 PolarHBondContact O-N 2.79Å; S915-R917 PolarHBondContact O-N 2.9Å |
| 918 | R | 90.3 | Very high | 79.4 | Confident | 42 Ų | 42 | 69.9 Ų | 69.9 | 16% | 0.158 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 144.6 | 176.2 | -65.8 | -173.4 | 174.4 | -77 | -2.4 | 110.1 | S869 W870 V872 F883 I906 T909 K910 L911 | S869-R918 CarbonylContact C-O 3.5Å; S869-R918 WeakPolarHBondContact CA-O 3.39Å; S869-R918 WeakPolarHBondContact CB-O 3.38Å; W870-R918 HydrophobicContact CD2-CB 4.33Å; W870-R918 HydrophobicContact CZ2-CB 4.04Å; W870-R918 PolarHBondContact N-O 2.86Å; W870-R918 PolarHBondContact O-N 2.83Å; V872-R918 HydrophobicContact CG2-CG 4.24Å; F883-R918 VanDerWaalsContact CZ-CD 3.48Å; I906-R918 VanDerWaalsContact CG1-NH2 3.26Å; I906-R918 PolarHBondContact O-NH1 2.8Å; T909-R918 HydrophobicContact CG2-CB 4.46Å; T909-R918 WeakPolarHBondContact OG1-CD 3.2Å; T909-R918 PolarHBondContact OG1-NH1 2.84Å; K910-R918 CarbonylContact O-C 2.97Å; K910-R918 WeakPolarHBondContact O-CA 3.25Å; L911-R918 HydrophobicContact CD1-CG 4.36Å |
| 919 | M | 87.3 | Confident | 78.8 | Confident | 35 Ų | 35 | 66.2 Ų | 66.2 | 17% | 0.172 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 146.1 | -177.2 | -171.2 | -172.8 | -143.1 | 0 | 0 | 112.6 | N867 V868 K910 L912 | N867-M919 HydrophobicContact CB-CE 3.64Å; V868-M919 CarbonylContact O-C 3.57Å; V868-M919 VanDerWaalsContact O-CA 3.25Å; V868-M919 WeakPolarHBondContact O-CA 3.19Å; K910-M919 HydrophobicContact CB-CB 4.43Å; K910-M919 PolarHBondContact N-O 2.62Å; K910-M919 PolarHBondContact O-N 2.86Å; L912-M919 HydrophobicContact CD1-CB 3.75Å; L912-M919 HydrophobicContact CD1-CG 4.27Å; L912-M919 HydrophobicContact CD1-SD 3.98Å; L912-M919 HydrophobicContact CD2-CB 4.25Å; L912-M919 HydrophobicContact CD2-SD 3.88Å; L912-M919 HydrophobicContact CG-CB 3.95Å; L912-M919 HydrophobicContact CG-SD 4.39Å |
| 920 | T | 86.9 | Confident | 78.4 | Confident | 37 Ų | 37 | 66.2 Ų | 66.2 | 23% | 0.227 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | -177.2 | 170.1 | -165.8 | 0 | 0 | 0 | 0 | 111.3 | V868 W870 I885 | V868-T920 PolarHBondContact N-O 2.95Å; V868-T920 PolarHBondContact O-N 3.03Å; W870-T920 HydrophobicContact CH2-CG2 3.84Å; W870-T920 HydrophobicContact CZ3-CG2 3.75Å; I885-T920 HydrophobicContact CD1-CG2 3.07Å |
| 921 | V | 80.9 | Confident | 78.2 | Confident | 62 Ų | 62 | 60.2 Ų | 60.2 | 38% | 0.376 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 137.8 | -178.3 | -170.8 | 0 | 0 | 0 | 0 | 111.2 | R865 V866 N867 | R865-V921 HydrophobicContact CB-CG1 4.36Å; V866-V921 WeakPolarHBondContact O-CA 3.42Å; N867-V921 VanDerWaalsContact OD1-CG2 3.27Å; N867-V921 WeakPolarHBondContact OD1-CG2 3.2Å |
| 922 | V | 78.3 | Confident | 78.3 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.03 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 140.3 | 178.3 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | R865 V866 V868 I885 M900 | R865-V922 CarbonylContact C-O 3.4Å; R865-V922 WeakPolarHBondContact CA-O 3.48Å; V866-V922 HydrophobicContact CG2-CB 3.95Å; V866-V922 HydrophobicContact CG2-CG1 4.42Å; V866-V922 PolarHBondContact N-O 2.89Å; V866-V922 PolarHBondContact O-N 3.04Å; V868-V922 HydrophobicContact CG2-CB 4.24Å; V868-V922 HydrophobicContact CG2-CG2 3.65Å; I885-V922 HydrophobicContact CG2-CG2 4.01Å; M900-V922 HydrophobicContact CB-CG1 3.76Å; M900-V922 HydrophobicContact CB-CG2 4.45Å; M900-V922 HydrophobicContact CE-CG1 3.7Å; M900-V922 HydrophobicContact CG-CG1 3.98Å |
| 923 | R | 74.9 | Confident | 78.5 | Confident | 152 Ų | 152 | 57.2 Ų | 57.2 | 57% | 0.574 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 172.5 | -174.8 | -54.3 | -172.5 | -179.3 | 163.9 | 0 | 112.5 | D864 R865 M900 | D864-R923 CarbonylContact O-C 3.57Å; D864-R923 WeakPolarHBondContact O-CA 3.37Å; R865-R923 HydrophobicContact CB-CG 3.93Å; M900-R923 WeakPolarHBondContact CE-O 3.38Å |
| 924 | N | 69.3 | Low | 79.3 | Confident | 130 Ų | 130 | 52.3 Ų | 52.3 | 70% | 0.695 | 28% | 0.28 | S | S | * | . | trans | 68.6 | 52.7 | 172.2 | -56.8 | -22.1 | 0 | 0 | 0 | 116.1 | D864 | D864-N924 PolarHBondContact O-N 2.79Š| ||
| 925 | L | 72.8 | Confident | 80.2 | Confident | 21 Ų | 21 | 46.2 Ų | 46.2 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -94.1 | 134.8 | 178.9 | -59.8 | 176.4 | 0 | 0 | 0 | 112.2 | V866 M900 Y931 F953 T955 | V866-L925 HydrophobicContact CG1-CD1 4.06Å; V866-L925 HydrophobicContact CG2-CD1 4.31Å; M900-L925 HydrophobicContact CE-CD2 3.81Å; L925-Y931 HydrophobicContact CB-CD2 4.24Å; L925-Y931 HydrophobicContact CB-CE2 3.76Å; L925-Y931 HydrophobicContact CD1-CD2 4.31Å; L925-Y931 HydrophobicContact CD2-CD1 3.97Å; L925-Y931 HydrophobicContact CD2-CD2 4.2Å; L925-Y931 HydrophobicContact CD2-CE1 3.87Å; L925-Y931 HydrophobicContact CD2-CE2 4.12Å; L925-Y931 HydrophobicContact CD2-CG 4.13Å; L925-Y931 HydrophobicContact CG-CD2 4.49Å; L925-Y931 HydrophobicContact CG-CE2 4.39Å; L925-F953 HydrophobicContact CD1-CE2 3.55Å; L925-F953 HydrophobicContact CD1-CZ 3.67Å; L925-T955 HydrophobicContact CB-CG2 4.18Å |
| 926 | A | 67.8 | Low | 80.8 | Confident | 46 Ų | 46 | 46 Ų | 46 | 38% | 0.38 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -63.9 | 151.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | M929 Y931 T955 | A926-M929 HydrophobicContact CB-CG 4.32Å; A926-Y931 WeakPolarHBondContact CB-OH 3.38Å; A926-Y931 PolarHBondContact N-OH 3.27Å; A926-T955 WeakPolarHBondContact O-CB 3.34Å; A926-T955 WeakPolarHBondContact O-CG2 3.45Å; A926-T955 PolarHBondContact O-OG1 3.04Å |
| 927 | A | 66 | Low | 81.1 | Confident | 35 Ų | 35 | 42.1 Ų | 42.1 | 29% | 0.289 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | 146.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | M929 T955 L956 | A927-M929 WeakPolarHBondContact O-CG 3.15Å; A927-M929 PolarHBondContact O-N 2.85Å; A927-M929 VanDerWaalsContact O-N 3.15Å; A927-T955 WeakPolarHBondContact CA-OG1 3.34Å; A927-L956 CarbonylContact C-O 3.49Å; A927-L956 WeakPolarHBondContact CA-O 3.37Å; A927-L956 WeakPolarHBondContact CB-O 3.23Å |
| 928 | N | 72.5 | Confident | 81 | Confident | 67 Ų | 67 | 39.6 Ų | 39.6 | 36% | 0.358 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 32.5 | -175.8 | -157.8 | 26.6 | 0 | 0 | 0 | 116.4 | T955 L956 P957 | N928-T955 VanDerWaalsContact CA-O 3.29Å; N928-T955 WeakPolarHBondContact CA-O 3.45Å; N928-T955 PolarHBondContact N-OG1 3.07Å; N928-L956 PolarHBondContact N-O 3.14Å; N928-P957 HydrophobicContact CB-CB 4.06Å |
| 929 | M | 70.7 | Confident | 81 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 3% | 0.03 | 19% | 0.192 | C | C | . | . | trans | -118.6 | 134.5 | -174.9 | -74.8 | -60.1 | -63.5 | 0 | 0 | 112.4 | A889 A926 A927 Y931 T954 T955 V987 | A889-M929 HydrophobicContact CB-CE 3.84Å; A926-M929 HydrophobicContact CB-CG 4.32Å; A927-M929 WeakPolarHBondContact O-CG 3.15Å; A927-M929 PolarHBondContact O-N 2.85Å; A927-M929 VanDerWaalsContact O-N 3.15Å; M929-Y931 HydrophobicContact CB-CD2 4.42Å; M929-Y931 HydrophobicContact CB-CE2 3.72Å; M929-Y931 WeakPolarHBondContact O-CD2 3.2Å; M929-T954 WeakPolarHBondContact O-CA 3.45Å; M929-T955 PolarHBondContact N-OG1 3Å; M929-T955 PolarHBondContact O-N 3.14Å; M929-T955 PolarHBondContact O-OG1 3.35Å; M929-V987 HydrophobicContact CE-CG1 3.37Å; M929-V987 HydrophobicContact CG-CG1 4.1Å; M929-V987 HydrophobicContact SD-CB 4.23Å; M929-V987 HydrophobicContact SD-CG1 3.56Å; M929-V987 VanDerWaalsContact SD-CG1 3.56Å | ||
| 930 | A | 76.1 | Confident | 80.9 | Confident | 10 Ų | 10 | 39.9 Ų | 39.9 | 8% | 0.083 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 125.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A889 M890 Y891 F953 | A889-A930 CarbonylContact C-O 3.49Å; A889-A930 WeakPolarHBondContact CA-O 2.92Å; M890-A930 HydrophobicContact CB-CB 4.06Å; M890-A930 PolarHBondContact N-O 2.78Å; M890-A930 HydrophobicContact SD-CB 4.49Å; Y891-A930 HydrophobicContact CE2-CB 4.27Å; A930-F953 CarbonylContact C-O 3.55Å; A930-F953 WeakPolarHBondContact CA-O 3.35Å |
| 931 | Y | 79.7 | Confident | 80.7 | Confident | 13 Ų | 13 | 41.8 Ų | 41.8 | 5% | 0.051 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 149.8 | 179.8 | -72.6 | -85.6 | 0 | 0 | 0 | 112.8 | A887 N888 A889 L925 A926 M929 S952 F953 T955 | A887-Y931 HydrophobicContact CB-CD1 4.37Å; N888-Y931 WeakPolarHBondContact O-CA 3.43Å; A889-Y931 HydrophobicContact CB-CD1 4.22Å; A889-Y931 HydrophobicContact CB-CE1 3.86Å; L925-Y931 HydrophobicContact CB-CD2 4.24Å; L925-Y931 HydrophobicContact CB-CE2 3.76Å; L925-Y931 HydrophobicContact CD1-CD2 4.31Å; L925-Y931 HydrophobicContact CD2-CD1 3.97Å; L925-Y931 HydrophobicContact CD2-CD2 4.2Å; L925-Y931 HydrophobicContact CD2-CE1 3.87Å; L925-Y931 HydrophobicContact CD2-CE2 4.12Å; L925-Y931 HydrophobicContact CD2-CG 4.13Å; L925-Y931 HydrophobicContact CG-CD2 4.49Å; L925-Y931 HydrophobicContact CG-CE2 4.39Å; A926-Y931 WeakPolarHBondContact CB-OH 3.38Å; A926-Y931 PolarHBondContact N-OH 3.27Å; M929-Y931 HydrophobicContact CB-CD2 4.42Å; M929-Y931 HydrophobicContact CB-CE2 3.72Å; M929-Y931 WeakPolarHBondContact O-CD2 3.2Å; Y931-S952 VanDerWaalsContact O-CA 3.25Å; Y931-S952 WeakPolarHBondContact O-CA 3.11Å; Y931-F953 HydrophobicContact CD2-CE2 4.49Å; Y931-F953 HydrophobicContact CG-CZ 4.36Å; Y931-F953 PolarHBondContact N-O 2.97Å; Y931-F953 VanDerWaalsContact O-CD1 3.26Å; Y931-F953 WeakPolarHBondContact O-CD1 3.41Å; Y931-F953 WeakPolarHBondContact O-CE1 3.43Å; Y931-F953 PolarHBondContact O-N 2.97Å; Y931-F953 VanDerWaalsContact O-N 3.11Å; Y931-T955 HydrophobicContact CE2-CG2 4.4Å |
| 932 | R | 86.4 | Confident | 80.8 | Confident | 55 Ų | 55 | 39.9 Ų | 39.9 | 21% | 0.208 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 146.9 | 163 | 57.5 | 178.6 | 179.9 | 173.1 | -0.5 | 110.1 | A887 N888 N895 W897 P949 | A887-R932 CarbonylContact C-O 3.58Å; A887-R932 WeakPolarHBondContact CA-O 3.42Å; N888-R932 HydrophobicContact CB-CG 3.96Å; N888-R932 PolarHBondContact N-O 2.89Å; N888-R932 PolarHBondContact O-N 3.5Å; N888-R932 PolarHBondContact OD1-NE 2.91Å; N888-R932 PolarHBondContact OD1-NH2 3.05Å; N895-R932 PolarHBondContact OD1-NH2 2.98Å; W897-R932 HydrophobicContact CH2-CB 4.42Å; W897-R932 HydrophobicContact CH2-CG 3.69Å; W897-R932 HydrophobicContact CZ2-CG 4.2Å; W897-R932 HydrophobicContact CZ3-CG 4.45Å; W897-R932 VanDerWaalsContact CZ3-O 3.26Å; W897-R932 WeakPolarHBondContact CZ3-O 3.19Å; R932-P949 HydrophobicContact CB-CB 4.3Å; R932-P949 HydrophobicContact CG-CB 4.27Å |
| 933 | I | 87.1 | Confident | 81 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 143.8 | -173 | -61.3 | -179.3 | 0 | 0 | 0 | 111 | V855 V857 V866 V868 I885 E886 A887 P949 S950 F953 | V855-I933 HydrophobicContact CG1-CG2 4.43Å; V857-I933 HydrophobicContact CG1-CD1 4.17Å; V857-I933 HydrophobicContact CG2-CB 3.96Å; V857-I933 HydrophobicContact CG2-CD1 3.95Å; V857-I933 HydrophobicContact CG2-CG1 4.2Å; V866-I933 HydrophobicContact CG2-CD1 3.75Å; V868-I933 HydrophobicContact CG1-CG2 3.84Å; V868-I933 HydrophobicContact CG2-CD1 3.68Å; V868-I933 HydrophobicContact CG2-CG2 4.13Å; I885-I933 HydrophobicContact CG2-CG2 3.6Å; E886-I933 CarbonylContact O-C 3.55Å; E886-I933 WeakPolarHBondContact O-CA 3.48Å; E886-I933 WeakPolarHBondContact O-CG2 3.12Å; A887-I933 HydrophobicContact CB-CG1 4.09Å; I933-P949 CarbonylContact O-C 3.57Å; I933-P949 WeakPolarHBondContact O-CA 3.28Å; I933-S950 PolarHBondContact N-OG 2.8Å; I933-S950 PolarHBondContact O-N 2.91Å; I933-F953 HydrophobicContact CD1-CE1 4.25Å; I933-F953 HydrophobicContact CD1-CZ 4.32Å; I933-F953 HydrophobicContact CG1-CE1 4.38Å |
| 934 | R | 91.5 | Very high | 81.5 | Confident | 51 Ų | 51 | 34.7 Ų | 34.7 | 19% | 0.192 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 161.9 | 174.2 | 76.6 | -172.6 | -173.1 | 175.2 | -4.7 | 112.2 | E886 W897 P946 S947 | E886-R934 HydrophobicContact CB-CG 4.06Å; E886-R934 PolarHBondContact N-O 3.47Å; E886-R934 PolarHBondContact O-N 3.07Å; E886-R934 IonicContact OE2-CZ 2.93Å; E886-R934 IonicContact OE2-NE 3.72Å; E886-R934 PolarHBondContact OE2-NE 3.33Å; E886-R934 IonicContact OE2-NH2 3.87Å; E886-R934 PolarHBondContact OE2-NH2 3.18Å; W897-R934 VanDerWaalsContact CD2-CD 3.44Å; W897-R934 HydrophobicContact CD2-CG 4.03Å; W897-R934 VanDerWaalsContact CD2-NE 3.27Å; W897-R934 HydrophobicContact CE3-CB 4.35Å; W897-R934 HydrophobicContact CE3-CG 3.54Å; W897-R934 HydrophobicContact CH2-CB 3.96Å; W897-R934 HydrophobicContact CH2-CG 3.96Å; W897-R934 HydrophobicContact CZ2-CG 4.41Å; W897-R934 HydrophobicContact CZ3-CB 3.8Å; W897-R934 HydrophobicContact CZ3-CG 3.51Å; R934-P946 HydrophobicContact CG-CB 4.18Å; R934-S947 WeakPolarHBondContact CA-OG 3.45Å; R934-S947 WeakPolarHBondContact CB-OG 3.47Å |
| 935 | V | 91.8 | Very high | 82.3 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 140.1 | -173.9 | -172.4 | 0 | 0 | 0 | 0 | 112.2 | C852 V855 V868 W870 F883 Q884 I885 S947 | C852-V935 HydrophobicContact CB-CB 4.42Å; V855-V935 HydrophobicContact CG1-CG2 4.26Å; V855-V935 HydrophobicContact CG2-CB 4.38Å; V855-V935 HydrophobicContact CG2-CG2 3.94Å; V868-V935 HydrophobicContact CG1-CG2 4.46Å; W870-V935 HydrophobicContact CB-CG2 4.42Å; W870-V935 HydrophobicContact CD2-CB 4.24Å; W870-V935 HydrophobicContact CD2-CG1 3.91Å; W870-V935 HydrophobicContact CD2-CG2 3.84Å; W870-V935 HydrophobicContact CE3-CG1 4.47Å; W870-V935 HydrophobicContact CE3-CG2 3.8Å; W870-V935 HydrophobicContact CG-CB 4.24Å; W870-V935 HydrophobicContact CG-CG1 4.18Å; W870-V935 HydrophobicContact CG-CG2 4.11Å; W870-V935 HydrophobicContact CZ2-CG1 4.01Å; W870-V935 HydrophobicContact CZ3-CG2 4.36Å; F883-V935 HydrophobicContact CB-CG1 4.05Å; F883-V935 HydrophobicContact CD1-CG1 4.14Å; F883-V935 HydrophobicContact CG-CG1 4.4Å; Q884-V935 CarbonylContact O-C 3.48Å; Q884-V935 WeakPolarHBondContact O-CA 3.28Å; I885-V935 HydrophobicContact CG1-CG1 4.3Å; I885-V935 HydrophobicContact CG1-CG2 4.22Å; I885-V935 HydrophobicContact CG2-CG2 4.49Å; V935-S947 PolarHBondContact N-OG 3.07Å; V935-S947 WeakPolarHBondContact O-CB 3.31Å; V935-S947 PolarHBondContact O-N 2.9Å; V935-S947 PolarHBondContact O-OG 2.6Å |
| 936 | R | 92.5 | Very high | 83.1 | Confident | 64 Ų | 64 | 34.1 Ų | 34.1 | 24% | 0.242 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 143.6 | 174.9 | -62.1 | -180 | 76 | 176.4 | 1.4 | 110.1 | F883 Q884 E886 L943 G944 P946 | F883-R936 CarbonylContact C-O 3.57Å; F883-R936 WeakPolarHBondContact CA-O 3.14Å; F883-R936 WeakPolarHBondContact CB-O 3.21Å; Q884-R936 HydrophobicContact CB-CB 4.3Å; Q884-R936 PolarHBondContact N-O 2.82Å; Q884-R936 PolarHBondContact O-N 3.4Å; E886-R936 VanDerWaalsContact OE1-CD 3.25Å; E886-R936 WeakPolarHBondContact OE1-CD 3.47Å; E886-R936 IonicContact OE1-NH1 2.74Å; R936-L943 HydrophobicContact CB-CD1 4.09Å; R936-L943 HydrophobicContact CB-CD2 4.11Å; R936-L943 HydrophobicContact CB-CG 4.03Å; R936-G944 VanDerWaalsContact CZ-O 3.3Å; R936-G944 PolarHBondContact NE-O 2.83Å; R936-G944 PolarHBondContact NH2-O 3.48Å; R936-P946 VanDerWaalsContact CG-CA 3.5Å; R936-P946 HydrophobicContact CG-CB 3.7Å |
| 937 | A | 90.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 151.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | P849 I880 Y882 F883 G944 | P849-A937 HydrophobicContact CB-CB 4.13Å; P849-A937 HydrophobicContact CG-CB 4.5Å; I880-A937 HydrophobicContact CD1-CB 4.3Å; I880-A937 HydrophobicContact CG2-CB 3.83Å; Y882-A937 CarbonylContact O-C 3.56Å; Y882-A937 WeakPolarHBondContact O-CA 3.37Å; F883-A937 HydrophobicContact CD1-CB 3.91Å; F883-A937 HydrophobicContact CE1-CB 3.85Å; A937-G944 WeakPolarHBondContact O-CA 3.49Å; A937-G944 PolarHBondContact O-N 3.11Å |
| 938 | G | 88 | Confident | 85 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 143.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I880 L881 Y882 G942 | I880-G938 CarbonylContact C-O 3.58Å; L881-G938 PolarHBondContact N-O 3.39Å; Y882-G938 PolarHBondContact N-O 2.55Å; Y882-G938 PolarHBondContact O-N 2.79Å; G938-G942 CarbonylContact C-O 3.5Å; G938-G942 VanDerWaalsContact CA-O 3.24Å; G938-G942 WeakPolarHBondContact CA-O 3.34Å |
| 939 | N | 89.4 | Confident | 85.6 | Confident | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | -168.2 | 173.6 | 66.7 | 16.6 | 0 | 0 | 0 | 110.9 | G847 P849 S875 F878 Q879 L941 G942 | G847-N939 PolarHBondContact O-ND2 2.84Å; P849-N939 WeakPolarHBondContact CD-ND2 3.41Å; P849-N939 HydrophobicContact CG-CB 3.64Å; P849-N939 WeakPolarHBondContact CG-ND2 3.46Å; S875-N939 PolarHBondContact O-ND2 3.26Å; F878-N939 HydrophobicContact CB-CB 4.28Å; F878-N939 VanDerWaalsContact CB-ND2 3.3Å; F878-N939 WeakPolarHBondContact CB-ND2 3.45Å; F878-N939 PolarHBondContact O-ND2 3.36Å; Q879-N939 WeakPolarHBondContact O-CA 3.48Å; Q879-N939 WeakPolarHBondContact O-CB 3.43Å; N939-L941 PolarHBondContact O-N 3.45Å; N939-L941 WeakPolarHBondContact OD1-CA 3.39Å; N939-L941 WeakPolarHBondContact OD1-CB 3.33Å; N939-L941 PolarHBondContact OD1-N 2.9Å; N939-G942 PolarHBondContact N-O 3.27Å; N939-G942 PolarHBondContact O-N 3.43Å; N939-G942 PolarHBondContact OD1-N 2.94Å |
| 940 | A | 84.9 | Confident | 86.2 | Confident | 79 Ų | 79 | 34.6 Ų | 34.6 | 65% | 0.653 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -22.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | F878 | F878-A940 HydrophobicContact CD1-CB 4.49Š|
| 941 | L | 82.9 | Confident | 86.3 | Confident | 77 Ų | 77 | 41.7 Ų | 41.7 | 40% | 0.403 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -4.6 | 176.2 | -60 | -176.5 | 0 | 0 | 0 | 113 | G847 P848 F878 N939 | G847-L941 VanDerWaalsContact CA-CD1 3.45Å; P848-L941 HydrophobicContact CG-CB 4.18Å; F878-L941 HydrophobicContact CD1-CG 4.39Å; F878-L941 HydrophobicContact CD2-CD1 3.41Å; F878-L941 VanDerWaalsContact CD2-CD1 3.41Å; F878-L941 HydrophobicContact CD2-CG 4.01Å; F878-L941 HydrophobicContact CE2-CD1 3.51Å; F878-L941 HydrophobicContact CE2-CG 4.2Å; F878-L941 HydrophobicContact CG-CD1 4.02Å; F878-L941 HydrophobicContact CG-CG 4.11Å; F878-L941 HydrophobicContact CZ-CD1 4.17Å; F878-L941 HydrophobicContact CZ-CD2 4.47Å; F878-L941 HydrophobicContact CZ-CG 4.46Å; N939-L941 PolarHBondContact O-N 3.45Å; N939-L941 WeakPolarHBondContact OD1-CA 3.39Å; N939-L941 WeakPolarHBondContact OD1-CB 3.33Å; N939-L941 PolarHBondContact OD1-N 2.9Å |
| 942 | G | 82.6 | Confident | 86 | Confident | 23 Ų | 23 | 44.5 Ų | 44.5 | 24% | 0.237 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 120 | -167.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | P849 G938 N939 | P849-G942 WeakPolarHBondContact CD-O 3.48Å; G938-G942 CarbonylContact C-O 3.5Å; G938-G942 VanDerWaalsContact CA-O 3.24Å; G938-G942 WeakPolarHBondContact CA-O 3.34Å; N939-G942 PolarHBondContact N-O 3.27Å; N939-G942 PolarHBondContact O-N 3.43Å; N939-G942 PolarHBondContact OD1-N 2.94Å |
| 943 | L | 83.8 | Confident | 85.3 | Confident | 44 Ų | 44 | 43.3 Ų | 43.3 | 23% | 0.23 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 126 | -177.1 | -163 | 78.8 | 0 | 0 | 0 | 111.2 | Y882 Q884 R936 | Y882-L943 HydrophobicContact CD2-CD1 4.27Å; Y882-L943 HydrophobicContact CE2-CD1 3.56Å; Q884-L943 HydrophobicContact CB-CD1 4.17Å; Q884-L943 HydrophobicContact CB-CD2 4.31Å; R936-L943 HydrophobicContact CB-CD1 4.09Å; R936-L943 HydrophobicContact CB-CD2 4.11Å; R936-L943 HydrophobicContact CB-CG 4.03Å |
| 944 | G | 85.6 | Confident | 84.5 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | -174.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P849 R936 A937 | P849-G944 WeakPolarHBondContact O-CA 3.36Å; R936-G944 VanDerWaalsContact CZ-O 3.3Å; R936-G944 PolarHBondContact NE-O 2.83Å; R936-G944 PolarHBondContact NH2-O 3.48Å; A937-G944 WeakPolarHBondContact O-CA 3.49Å; A937-G944 PolarHBondContact O-N 3.11Å |
| 945 | E | 85.3 | Confident | 83.4 | Confident | 100 Ų | 100 | 47 Ų | 47 | 47% | 0.467 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 152.5 | -180 | -70.1 | -174.3 | 173.7 | 0 | 0 | 112.8 | P851 | P851-E945 WeakPolarHBondContact CA-O 3.19Å; P851-E945 HydrophobicContact CB-CB 4.39Å |
| 946 | P | 89 | Confident | 82.2 | Confident | 40 Ų | 40 | 53.7 Ų | 53.7 | 26% | 0.26 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 144.6 | 176.3 | 29.2 | -32.8 | 0 | 0 | 0 | 113.2 | P851 R934 R936 | P851-P946 WeakPolarHBondContact CB-O 3.38Å; R934-P946 HydrophobicContact CG-CB 4.18Å; R936-P946 VanDerWaalsContact CG-CA 3.5Å; R936-P946 HydrophobicContact CG-CB 3.7Å |
| 947 | S | 89.9 | Confident | 81.4 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 4% | 0.035 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 161.7 | 171.6 | 72 | 0 | 0 | 0 | 0 | 112.2 | C852 V855 R934 V935 | C852-S947 WeakPolarHBondContact O-CA 3.5Å; C852-S947 WeakPolarHBondContact O-CB 3.27Å; V855-S947 WeakPolarHBondContact CG2-OG 3.17Å; R934-S947 WeakPolarHBondContact CA-OG 3.45Å; R934-S947 WeakPolarHBondContact CB-OG 3.47Å; V935-S947 PolarHBondContact N-OG 3.07Å; V935-S947 WeakPolarHBondContact O-CB 3.31Å; V935-S947 PolarHBondContact O-N 2.9Å; V935-S947 PolarHBondContact O-OG 2.6Å |
| 948 | P | 84.5 | Confident | 80.4 | Confident | 86 Ų | 86 | 56.5 Ų | 56.5 | 56% | 0.558 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -51.5 | 145.1 | 157 | -24 | 34.5 | 0 | 0 | 0 | 111 | ||
| 949 | P | 85.1 | Confident | 79.7 | Confident | 60 Ų | 60 | 62.8 Ų | 62.8 | 39% | 0.39 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 155.3 | -179.3 | 33.2 | -37.8 | 0 | 0 | 0 | 112.3 | W897 R932 I933 | W897-P949 HydrophobicContact CH2-CB 3.5Å; W897-P949 VanDerWaalsContact CH2-CB 3.5Å; W897-P949 HydrophobicContact CZ2-CB 3.82Å; R932-P949 HydrophobicContact CB-CB 4.3Å; R932-P949 HydrophobicContact CG-CB 4.27Å; I933-P949 CarbonylContact O-C 3.57Å; I933-P949 WeakPolarHBondContact O-CA 3.28Å |
| 950 | S | 82.9 | Confident | 79.4 | Confident | 12 Ų | 12 | 62.7 Ų | 62.7 | 8% | 0.084 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 168.7 | 170.1 | 73.3 | 0 | 0 | 0 | 0 | 112.5 | V855 V857 I933 | V855-S950 WeakPolarHBondContact O-CB 3.28Å; V857-S950 WeakPolarHBondContact CG2-OG 3.49Å; I933-S950 PolarHBondContact N-OG 2.8Å; I933-S950 PolarHBondContact O-N 2.91Å |
| 951 | L | 77.9 | Confident | 79.2 | Confident | 159 Ų | 159 | 63.2 Ų | 63.2 | 83% | 0.832 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 155.5 | 161.8 | -66.1 | 173.7 | 0 | 0 | 0 | 110.9 | ||
| 952 | S | 75.2 | Confident | 79.2 | Confident | 73 Ų | 73 | 63 Ų | 63 | 51% | 0.51 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -82.7 | 148.3 | -178.1 | 51.3 | 0 | 0 | 0 | 0 | 113.2 | Y931 | Y931-S952 VanDerWaalsContact O-CA 3.25Å; Y931-S952 WeakPolarHBondContact O-CA 3.11Å |
| 953 | F | 71.5 | Confident | 79.3 | Confident | 30 Ų | 30 | 65.8 Ų | 65.8 | 13% | 0.132 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 151.6 | 175.4 | 66.5 | -84.4 | 0 | 0 | 0 | 111.3 | V857 V866 L925 A930 Y931 I933 | V857-F953 HydrophobicContact CB-CE1 4.47Å; V857-F953 HydrophobicContact CG1-CD1 4.15Å; V857-F953 HydrophobicContact CG1-CE1 3.78Å; V857-F953 HydrophobicContact CG1-CZ 4.24Å; V866-F953 HydrophobicContact CG1-CD2 4.4Å; V866-F953 HydrophobicContact CG1-CE2 3.65Å; V866-F953 HydrophobicContact CG1-CZ 3.89Å; V866-F953 HydrophobicContact CG2-CZ 4.17Å; L925-F953 HydrophobicContact CD1-CE2 3.55Å; L925-F953 HydrophobicContact CD1-CZ 3.67Å; A930-F953 CarbonylContact C-O 3.55Å; A930-F953 WeakPolarHBondContact CA-O 3.35Å; Y931-F953 HydrophobicContact CD2-CE2 4.49Å; Y931-F953 HydrophobicContact CG-CZ 4.36Å; Y931-F953 PolarHBondContact N-O 2.97Å; Y931-F953 VanDerWaalsContact O-CD1 3.26Å; Y931-F953 WeakPolarHBondContact O-CD1 3.41Å; Y931-F953 WeakPolarHBondContact O-CE1 3.43Å; Y931-F953 PolarHBondContact O-N 2.97Å; Y931-F953 VanDerWaalsContact O-N 3.11Å; I933-F953 HydrophobicContact CD1-CE1 4.25Å; I933-F953 HydrophobicContact CD1-CZ 4.32Å; I933-F953 HydrophobicContact CG1-CE1 4.38Å |
| 954 | T | 70.2 | Confident | 79.4 | Confident | 93 Ų | 93 | 63.8 Ų | 63.8 | 57% | 0.571 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 144.9 | -170.7 | -46.1 | 0 | 0 | 0 | 0 | 113.5 | M929 | M929-T954 WeakPolarHBondContact O-CA 3.45Å |
| 955 | T | 68 | Low | 79.4 | Confident | 35 Ų | 35 | 70 Ų | 70 | 22% | 0.215 | 39% | 0.388 | C | S | . | . | trans | -94 | 179.2 | 175.9 | 56 | 0 | 0 | 0 | 0 | 112.8 | L925 A926 A927 N928 M929 Y931 | L925-T955 HydrophobicContact CB-CG2 4.18Å; A926-T955 WeakPolarHBondContact O-CB 3.34Å; A926-T955 WeakPolarHBondContact O-CG2 3.45Å; A926-T955 PolarHBondContact O-OG1 3.04Å; A927-T955 WeakPolarHBondContact CA-OG1 3.34Å; N928-T955 VanDerWaalsContact CA-O 3.29Å; N928-T955 WeakPolarHBondContact CA-O 3.45Å; N928-T955 PolarHBondContact N-OG1 3.07Å; M929-T955 PolarHBondContact N-OG1 3Å; M929-T955 PolarHBondContact O-N 3.14Å; M929-T955 PolarHBondContact O-OG1 3.35Å; Y931-T955 HydrophobicContact CE2-CG2 4.4Å | ||
| 956 | L | 66.6 | Low | 79.4 | Confident | 141 Ų | 141 | 69.8 Ų | 69.8 | 74% | 0.738 | 39% | 0.39 | S | S | * | . | trans | -95.7 | 154.9 | -173.1 | -66.5 | 172.3 | 0 | 0 | 0 | 114.9 | A927 N928 | A927-L956 CarbonylContact C-O 3.49Å; A927-L956 WeakPolarHBondContact CA-O 3.37Å; A927-L956 WeakPolarHBondContact CB-O 3.23Å; N928-L956 PolarHBondContact N-O 3.14Å | ||
| 957 | P | 74.8 | Confident | 79.3 | Confident | 55 Ų | 55 | 68.4 Ų | 68.4 | 36% | 0.357 | 38% | 0.38 | S | S | . | . | trans | -86.7 | 161.4 | -173.9 | 34 | -36.4 | 0 | 0 | 0 | 118.1 | N928 N990 | N928-P957 HydrophobicContact CB-CB 4.06Å; P957-N990 CarbonylContact C-O 3.46Å; P957-N990 VanDerWaalsContact CA-O 3.22Å; P957-N990 WeakPolarHBondContact CA-O 3.43Å; P957-N990 WeakPolarHBondContact CB-O 3.45Å | ||
| 958 | T | 71.2 | Confident | 79.1 | Confident | 67 Ų | 67 | 70.9 Ų | 70.9 | 41% | 0.411 | 40% | 0.395 | S | S | . | . | trans | -149.6 | 175.6 | 178.4 | 62.3 | 0 | 0 | 0 | 0 | 113.4 | N990 N1048 | T958-N990 PolarHBondContact N-O 3.19Å; T958-N990 CarbonylContact O-C 3.45Å; T958-N990 WeakPolarHBondContact O-CB 3.31Å; T958-N1048 PolarHBondContact O-ND2 2.96Å | ||
| 959 | K | 72.9 | Confident | 79 | Confident | 132 Ų | 132 | 68.4 Ų | 68.4 | 57% | 0.574 | 39% | 0.386 | S | S | * | . | trans | -70.5 | 152.6 | 175.4 | 66.1 | 179.7 | 177.9 | -180 | 0 | 113.4 | T961 N990 E1050 | K959-T961 PolarHBondContact O-N 2.85Å; K959-N990 PolarHBondContact O-ND2 3.42Å; K959-E1050 HydrophobicContact CB-CB 4.06Å | ||
| 960 | P | 83.1 | Confident | 78.4 | Confident | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.019 | 39% | 0.386 | C | S | . | . | trans | -69.5 | 131.6 | 179.8 | -14 | 31.6 | 0 | 0 | 0 | 110.2 | A1046 N1048 G1051 G1053 | P960-A1046 HydrophobicContact CB-CB 4.49Å; P960-N1048 VanDerWaalsContact CD-CG 3.41Å; P960-N1048 WeakPolarHBondContact CD-ND2 3.43Å; P960-N1048 WeakPolarHBondContact CD-OD1 3.08Å; P960-N1048 HydrophobicContact CG-CB 3.84Å; P960-G1051 WeakPolarHBondContact CD-O 3.27Å; P960-G1053 VanDerWaalsContact O-CA 3.27Å; P960-G1053 WeakPolarHBondContact O-CA 3.47Å | ||
| 961 | T | 80 | Confident | 77.6 | Confident | 89 Ų | 89 | 67.7 Ų | 67.7 | 55% | 0.546 | 39% | 0.391 | S | S | . | . | trans | -107.5 | -8.7 | -173.7 | 51.2 | 0 | 0 | 0 | 0 | 114.2 | K959 | K959-T961 PolarHBondContact O-N 2.85Š| ||
| 962 | L | 82.7 | Confident | 77.1 | Confident | 72 Ų | 72 | 61.4 Ų | 61.4 | 38% | 0.377 | 37% | 0.365 | S | S | . | . | trans | -105 | 144.8 | -174.4 | -64 | -174.1 | 0 | 0 | 0 | 112.8 | L984 N988 | L962-L984 HydrophobicContact CB-CD2 3.7Å; L962-L984 HydrophobicContact CD1-CD2 4.36Å; L962-N988 HydrophobicContact CD1-CB 3.75Å; L962-N988 WeakPolarHBondContact CD1-ND2 3.49Å; L962-N988 WeakPolarHBondContact CD1-OD1 3.38Å; L962-N988 HydrophobicContact CG-CB 4.4Å | ||
| 963 | I | 84.4 | Confident | 76.7 | Confident | 83 Ų | 83 | 66.1 Ų | 66.1 | 43% | 0.426 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -81.4 | 133.7 | 174.8 | -57.1 | 168.2 | 0 | 0 | 0 | 109.1 | Q965 P1054 | I963-Q965 PolarHBondContact O-N 2.75Å; I963-P1054 HydrophobicContact CB-CG 4.41Å; I963-P1054 HydrophobicContact CD1-CB 4.39Å; I963-P1054 HydrophobicContact CD1-CG 4.4Å; I963-P1054 HydrophobicContact CG1-CB 3.71Å; I963-P1054 HydrophobicContact CG1-CG 3.39Å |
| 964 | P | 86.4 | Confident | 76.5 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.013 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 123.8 | 170 | -23.2 | 34.7 | 0 | 0 | 0 | 111.8 | Y996 V1044 A1046 | P964-Y996 HydrophobicContact CB-CE1 4.41Å; P964-Y996 HydrophobicContact CG-CD1 4.17Å; P964-Y996 HydrophobicContact CG-CE1 4.07Å; P964-V1044 HydrophobicContact CB-CG1 4.37Å; P964-V1044 HydrophobicContact CG-CG1 4.3Å; P964-A1046 HydrophobicContact CG-CB 4.35Å |
| 965 | Q | 85.6 | Confident | 76.7 | Confident | 134 Ų | 134 | 65.1 Ų | 65.1 | 63% | 0.626 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -97.8 | 158.2 | -174 | -65.1 | -168.8 | -12.1 | 0 | 0 | 112.9 | I963 V967 I982 | I963-Q965 PolarHBondContact O-N 2.75Å; Q965-V967 VanDerWaalsContact C-N 3.33Å; Q965-V967 PolarHBondContact O-N 2.88Å; Q965-I982 PolarHBondContact O-N 2.87Å |
| 966 | N | 85.8 | Confident | 77.3 | Confident | 95 Ų | 95 | 64.1 Ų | 64.1 | 51% | 0.508 | 36% | 0.361 | S | S | . | . | trans | 54 | 44 | 178.3 | -67.7 | 7.6 | 0 | 0 | 0 | 114 | T968 I982 F1024 | N966-T968 PolarHBondContact O-N 3.03Å; N966-T968 VanDerWaalsContact O-N 3.11Å; N966-T968 PolarHBondContact O-OG1 2.89Å; N966-I982 HydrophobicContact CB-CD1 3.86Å; N966-I982 HydrophobicContact CB-CG1 4.09Å; N966-I982 WeakPolarHBondContact ND2-CD1 3.12Å; N966-F1024 HydrophobicContact CB-CE1 4.06Å | ||
| 967 | V | 86.4 | Confident | 78.2 | Confident | 11 Ų | 11 | 57.4 Ų | 57.4 | 7% | 0.067 | 33% | 0.325 | C | S | . | . | trans | -59.1 | 116.3 | 165.2 | -175.3 | 0 | 0 | 0 | 0 | 107.3 | Q965 K980 W981 V1042 V1044 V1059 | Q965-V967 VanDerWaalsContact C-N 3.33Å; Q965-V967 PolarHBondContact O-N 2.88Å; V967-K980 CarbonylContact C-O 3.59Å; V967-K980 WeakPolarHBondContact CA-O 3.32Å; V967-W981 HydrophobicContact CG2-CB 4.05Å; V967-V1042 HydrophobicContact CG1-CG1 4.38Å; V967-V1044 HydrophobicContact CG1-CG2 4.09Å; V967-V1044 HydrophobicContact CG2-CB 4.15Å; V967-V1044 HydrophobicContact CG2-CG2 4.12Å; V967-V1059 HydrophobicContact CB-CG2 4.13Å; V967-V1059 HydrophobicContact CG1-CB 4.38Å; V967-V1059 HydrophobicContact CG1-CG2 4.37Å; V967-V1059 WeakPolarHBondContact O-CG1 3.39Å; V967-V1059 WeakPolarHBondContact O-CG2 3.3Å | ||
| 968 | T | 86.7 | Confident | 78.7 | Confident | 56 Ų | 56 | 55.5 Ų | 55.5 | 34% | 0.344 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 168.9 | -177.9 | 54.9 | 0 | 0 | 0 | 0 | 108.4 | N966 F979 K980 | N966-T968 PolarHBondContact O-N 3.03Å; N966-T968 VanDerWaalsContact O-N 3.11Å; N966-T968 PolarHBondContact O-OG1 2.89Å; T968-F979 CarbonylContact O-C 3.54Å; T968-F979 VanDerWaalsContact O-CA 3.31Å; T968-F979 WeakPolarHBondContact O-CA 3.41Å; T968-F979 WeakPolarHBondContact O-CB 3.44Å; T968-K980 PolarHBondContact N-O 2.77Å; T968-K980 PolarHBondContact O-N 3.15Å |
| 969 | G | 82.1 | Confident | 79.6 | Confident | 35 Ų | 35 | 52.3 Ų | 52.3 | 36% | 0.361 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.8 | -175.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V978 V1061 | G969-V978 CarbonylContact C-O 3.57Å; G969-V978 VanDerWaalsContact CA-O 3.28Å; G969-V978 WeakPolarHBondContact CA-O 3.18Å; G969-V1061 VanDerWaalsContact CA-CG1 3.42Å; G969-V1061 VanDerWaalsContact N-CG1 3.3Å |
| 970 | G | 72.1 | Confident | 80.5 | Confident | 39 Ų | 39 | 48.7 Ų | 48.7 | 40% | 0.402 | 28% | 0.278 | S | S | . | . | trans | 127 | 143.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V978 M1062 | G970-V978 PolarHBondContact N-O 2.88Å; G970-M1062 WeakPolarHBondContact CA-O 3.41Å | ||
| 971 | G | 65.2 | Low | 80.9 | Confident | 18 Ų | 18 | 48.6 Ų | 48.6 | 19% | 0.186 | 28% | 0.277 | C | S | . | . | trans | 88.5 | -158.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 972 | G | 69.3 | Low | 81.1 | Confident | 27 Ų | 27 | 47.4 Ų | 47.4 | 28% | 0.278 | 27% | 0.266 | S | S | . | . | trans | 111.9 | -179.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T976 A1064 | G972-T976 WeakPolarHBondContact CA-OG1 3.17Å; G972-A1064 WeakPolarHBondContact O-CB 3.36Å | ||
| 973 | K | 66.8 | Low | 81.3 | Confident | 172 Ų | 172 | 45.9 Ų | 45.9 | 75% | 0.748 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -72 | 159.2 | 174 | -68 | -172.6 | 178 | -174.9 | 0 | 110.2 | G975 T976 A1064 | K973-G975 PolarHBondContact O-N 2.87Å; K973-T976 HydrophobicContact CB-CG2 4.44Å; K973-T976 PolarHBondContact N-OG1 3.01Å; K973-T976 WeakPolarHBondContact O-CB 3.32Å; K973-T976 PolarHBondContact O-N 2.97Å; K973-T976 PolarHBondContact O-OG1 2.88Å; K973-A1064 WeakPolarHBondContact O-CB 3.29Å |
| 974 | H | 65.7 | Low | 81.2 | Confident | 94 Ų | 94 | 42.9 Ų | 42.9 | 44% | 0.435 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -40.6 | 125.9 | 173.3 | 178.1 | -89.1 | 0 | 0 | 0 | 111.8 | F1036 | H974-F1036 AromaticContact CD2-CE1 3.45Å; H974-F1036 VanDerWaalsContact CD2-CE1 3.45Å; H974-F1036 WeakPolarHBondContact CD2-CE1 3.49Å; H974-F1036 AromaticContact CD2-CZ 3.96Å; H974-F1036 AromaticContact CE1-CE1 3.52Å; H974-F1036 AromaticContact CE1-CZ 3.52Å; H974-F1036 AromaticContact NE2-CE1 3.11Å; H974-F1036 WeakPolarHBondContact NE2-CE1 3.39Å; H974-F1036 AromaticContact NE2-CZ 3.13Å; H974-F1036 WeakPolarHBondContact NE2-CZ 3.43Å |
| 975 | G | 74.6 | Confident | 80.6 | Confident | 7 Ų | 7 | 48.8 Ų | 48.8 | 7% | 0.072 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 31.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | K973 L1031 | K973-G975 PolarHBondContact O-N 2.87Å; G975-L1031 PolarHBondContact O-N 2.83Å; G975-L1031 VanDerWaalsContact O-O 3.1Å |
| 976 | T | 81.9 | Confident | 79.8 | Confident | 14 Ų | 14 | 49.7 Ų | 49.7 | 9% | 0.086 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 157.5 | 176.3 | 66 | 0 | 0 | 0 | 0 | 113.2 | G972 K973 T1028 L1029 A1064 | G972-T976 WeakPolarHBondContact CA-OG1 3.17Å; K973-T976 HydrophobicContact CB-CG2 4.44Å; K973-T976 PolarHBondContact N-OG1 3.01Å; K973-T976 WeakPolarHBondContact O-CB 3.32Å; K973-T976 PolarHBondContact O-N 2.97Å; K973-T976 PolarHBondContact O-OG1 2.88Å; T976-T1028 HydrophobicContact CG2-CG2 4.03Å; T976-L1029 CarbonylContact C-O 3.51Å; T976-L1029 VanDerWaalsContact CA-O 3.29Å; T976-L1029 WeakPolarHBondContact CA-O 3.46Å; T976-A1064 WeakPolarHBondContact O-CB 3.49Å; T976-A1064 PolarHBondContact O-N 2.86Å |
| 977 | L | 84.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 115.7 | 169.7 | -176.9 | 69.9 | 0 | 0 | 0 | 108.6 | I1000 L1029 L1031 Y1040 V1061 | L977-I1000 HydrophobicContact CD2-CG2 3.95Å; L977-L1029 HydrophobicContact CB-CB 4.35Å; L977-L1029 HydrophobicContact CD2-CD2 4.48Å; L977-L1029 PolarHBondContact N-O 2.78Å; L977-L1029 PolarHBondContact O-N 2.84Å; L977-L1031 HydrophobicContact CB-CD1 3.82Å; L977-L1031 HydrophobicContact CB-CD2 4.48Å; L977-L1031 HydrophobicContact CB-CG 4.12Å; L977-Y1040 HydrophobicContact CD1-CD2 3.96Å; L977-Y1040 HydrophobicContact CD1-CG 4.17Å; L977-Y1040 HydrophobicContact CD2-CD1 3.87Å; L977-Y1040 HydrophobicContact CD2-CD2 4.17Å; L977-Y1040 HydrophobicContact CD2-CG 3.66Å; L977-V1061 HydrophobicContact CD1-CG2 3.97Å |
| 978 | V | 86.2 | Confident | 78.7 | Confident | 15 Ų | 15 | 48.2 Ų | 48.2 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 129.3 | -179.6 | -176.9 | 0 | 0 | 0 | 0 | 110 | G969 G970 Q1026 Y1027 T1028 | G969-V978 CarbonylContact C-O 3.57Å; G969-V978 VanDerWaalsContact CA-O 3.28Å; G969-V978 WeakPolarHBondContact CA-O 3.18Å; G970-V978 PolarHBondContact N-O 2.88Å; V978-Q1026 HydrophobicContact CG1-CG 3.57Å; V978-Y1027 WeakPolarHBondContact CA-O 3.44Å; V978-T1028 HydrophobicContact CG2-CG2 3.89Å |
| 979 | F | 90.5 | Very high | 78.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 158.5 | 171.3 | 63 | -88 | 0 | 0 | 0 | 111 | T968 W981 A998 I1000 L1013 Q1026 Y1027 V1042 V1044 | T968-F979 CarbonylContact O-C 3.54Å; T968-F979 VanDerWaalsContact O-CA 3.31Å; T968-F979 WeakPolarHBondContact O-CA 3.41Å; T968-F979 WeakPolarHBondContact O-CB 3.44Å; F979-W981 HydrophobicContact CD2-CE3 4.02Å; F979-W981 AromaticContact CD2-CZ3 3.78Å; F979-W981 HydrophobicContact CD2-CZ3 3.78Å; F979-W981 HydrophobicContact CE2-CE3 4.15Å; F979-W981 HydrophobicContact CE2-CH2 4.47Å; F979-W981 AromaticContact CE2-CZ3 3.57Å; F979-W981 HydrophobicContact CE2-CZ3 3.57Å; F979-A998 HydrophobicContact CE2-CB 3.9Å; F979-A998 HydrophobicContact CZ-CB 3.7Å; F979-I1000 HydrophobicContact CE1-CD1 3.51Å; F979-I1000 HydrophobicContact CE1-CG1 4.28Å; F979-I1000 HydrophobicContact CZ-CD1 3.76Å; F979-I1000 HydrophobicContact CZ-CG1 4.4Å; F979-L1013 HydrophobicContact CE2-CD1 4.29Å; F979-L1013 HydrophobicContact CZ-CD1 4.48Å; F979-Q1026 WeakPolarHBondContact O-CA 3.24Å; F979-Y1027 AromaticContact CE1-CD1 3.71Å; F979-Y1027 HydrophobicContact CE1-CD1 3.71Å; F979-Y1027 AromaticContact CZ-CD1 3.59Å; F979-Y1027 HydrophobicContact CZ-CD1 3.59Å; F979-Y1027 HydrophobicContact CZ-CG 4.15Å; F979-Y1027 PolarHBondContact N-O 2.84Å; F979-Y1027 VanDerWaalsContact N-O 3.08Å; F979-Y1027 PolarHBondContact O-N 3.45Å; F979-V1042 HydrophobicContact CD1-CG1 4.19Å; F979-V1042 HydrophobicContact CD1-CG2 4.27Å; F979-V1042 HydrophobicContact CD2-CG1 3.69Å; F979-V1042 HydrophobicContact CE1-CG1 4.34Å; F979-V1042 HydrophobicContact CE2-CG1 3.84Å; F979-V1042 HydrophobicContact CG-CG1 3.87Å; F979-V1042 HydrophobicContact CG-CG2 4.43Å; F979-V1042 HydrophobicContact CZ-CG1 4.17Å; F979-V1044 HydrophobicContact CD2-CG2 4.46Å; F979-V1044 HydrophobicContact CE2-CG2 4.17Å |
| 980 | K | 90.7 | Very high | 78 | Confident | 57 Ų | 57 | 47 Ų | 47 | 25% | 0.248 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 153 | -169.7 | 69.1 | -179.7 | -177.7 | 173.9 | 0 | 112.5 | V967 T968 F1024 M1025 Q1026 | V967-K980 CarbonylContact C-O 3.59Å; V967-K980 WeakPolarHBondContact CA-O 3.32Å; T968-K980 PolarHBondContact N-O 2.77Å; T968-K980 PolarHBondContact O-N 3.15Å; K980-F1024 HydrophobicContact CB-CB 3.95Å; K980-F1024 HydrophobicContact CD-CB 3.9Å; K980-F1024 HydrophobicContact CD-CD1 4.27Å; K980-F1024 HydrophobicContact CD-CD2 4.29Å; K980-F1024 HydrophobicContact CD-CG 3.91Å; K980-F1024 HydrophobicContact CG-CB 4.12Å; K980-F1024 HydrophobicContact CG-CD1 4.08Å; K980-F1024 HydrophobicContact CG-CG 4.17Å; K980-M1025 CarbonylContact C-O 3.55Å; K980-M1025 WeakPolarHBondContact CA-O 3.42Å; K980-M1025 WeakPolarHBondContact CB-O 3.49Å; K980-Q1026 HydrophobicContact CB-CB 4.17Å; K980-Q1026 HydrophobicContact CB-CG 4.41Å |
| 981 | W | 91.3 | Very high | 78.3 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 160.3 | -179.2 | 62 | 97.9 | 0 | 0 | 0 | 111.3 | V967 F979 Y996 L1013 A1016 F1024 M1025 V1044 | V967-W981 HydrophobicContact CG2-CB 4.05Å; F979-W981 HydrophobicContact CD2-CE3 4.02Å; F979-W981 AromaticContact CD2-CZ3 3.78Å; F979-W981 HydrophobicContact CD2-CZ3 3.78Å; F979-W981 HydrophobicContact CE2-CE3 4.15Å; F979-W981 HydrophobicContact CE2-CH2 4.47Å; F979-W981 AromaticContact CE2-CZ3 3.57Å; F979-W981 HydrophobicContact CE2-CZ3 3.57Å; W981-Y996 AromaticContact CE2-CG 3.92Å; W981-Y996 HydrophobicContact CZ2-CD1 4.45Å; W981-Y996 AromaticContact CZ2-CD2 3.82Å; W981-Y996 HydrophobicContact CZ2-CD2 3.82Å; W981-Y996 AromaticContact CZ2-CG 3.79Å; W981-Y996 HydrophobicContact CZ2-CG 3.79Å; W981-Y996 AromaticContact NE1-CD1 3.43Å; W981-Y996 AromaticContact NE1-CD2 3.67Å; W981-Y996 AromaticContact NE1-CE1 3.41Å; W981-Y996 AromaticContact NE1-CE2 3.66Å; W981-Y996 AromaticContact NE1-CG 3.57Å; W981-Y996 AromaticContact NE1-CZ 3.54Å; W981-L1013 HydrophobicContact CH2-CD1 3.35Å; W981-L1013 HydrophobicContact CZ2-CD1 3.96Å; W981-L1013 HydrophobicContact CZ3-CD1 3.98Å; W981-A1016 HydrophobicContact CH2-CB 3.72Å; W981-A1016 HydrophobicContact CZ2-CB 4.03Å; W981-F1024 CarbonylContact O-C 3.51Å; W981-F1024 VanDerWaalsContact O-CA 3.31Å; W981-F1024 WeakPolarHBondContact O-CA 3.42Å; W981-M1025 HydrophobicContact CD2-CB 4.15Å; W981-M1025 HydrophobicContact CH2-CB 4.43Å; W981-M1025 HydrophobicContact CZ2-CB 3.86Å; W981-M1025 PolarHBondContact N-O 2.78Å; W981-M1025 PolarHBondContact O-N 3.12Å; W981-V1044 HydrophobicContact CD2-CG1 4.14Å; W981-V1044 HydrophobicContact CD2-CG2 4.44Å; W981-V1044 HydrophobicContact CE3-CG2 4.17Å; W981-V1044 HydrophobicContact CG-CG1 4.44Å; W981-V1044 HydrophobicContact CZ2-CG1 4.48Å |
| 982 | I | 84.9 | Confident | 78.8 | Confident | 64 Ų | 64 | 47.9 Ų | 47.9 | 33% | 0.328 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -75 | 125.8 | 174.7 | -66.5 | 172.2 | 0 | 0 | 0 | 108.3 | Q965 N966 F1024 | Q965-I982 PolarHBondContact O-N 2.87Å; N966-I982 HydrophobicContact CB-CD1 3.86Å; N966-I982 HydrophobicContact CB-CG1 4.09Å; N966-I982 WeakPolarHBondContact ND2-CD1 3.12Å; I982-F1024 HydrophobicContact CD1-CE1 4.46Å; I982-F1024 HydrophobicContact CG1-CD1 4.02Å; I982-F1024 HydrophobicContact CG1-CE1 3.78Å; I982-F1024 HydrophobicContact CG1-CZ 4.42Å |
| 983 | P | 86 | Confident | 79.3 | Confident | 40 Ų | 40 | 52 Ų | 52 | 26% | 0.26 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 138.5 | 176.5 | 26 | -32.1 | 0 | 0 | 0 | 110.8 | Y996 M1018 K1023 M1025 | P983-Y996 WeakPolarHBondContact CA-OH 3.29Å; P983-M1018 HydrophobicContact CG-CE 4.36Å; P983-M1018 HydrophobicContact CG-SD 4.49Å; P983-K1023 WeakPolarHBondContact CD-O 3.27Å; P983-M1025 HydrophobicContact CB-CG 3.85Å; P983-M1025 HydrophobicContact CG-CG 4.25Å |
| 984 | L | 83.6 | Confident | 80.1 | Confident | 21 Ų | 21 | 46 Ų | 46 | 11% | 0.11 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -57.5 | 138.4 | 166.2 | -70.1 | 179.2 | 0 | 0 | 0 | 109.6 | L962 F994 Y996 A1046 | L962-L984 HydrophobicContact CB-CD2 3.7Å; L962-L984 HydrophobicContact CD1-CD2 4.36Å; L984-F994 HydrophobicContact CB-CZ 4.11Å; L984-F994 HydrophobicContact CD1-CE2 4.04Å; L984-F994 HydrophobicContact CD1-CZ 3.98Å; L984-F994 HydrophobicContact CG-CZ 4.47Å; L984-Y996 PolarHBondContact N-OH 3.31Å; L984-A1046 HydrophobicContact CD1-CB 3.48Å; L984-A1046 VanDerWaalsContact CD1-CB 3.48Å |
| 985 | K | 73.3 | Confident | 81.3 | Confident | 125 Ų | 125 | 42.4 Ų | 42.4 | 54% | 0.543 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -68.3 | 152.8 | 172.4 | -55.5 | -171.8 | 178.9 | -172.4 | 0 | 110.6 | D892 V987 N988 | D892-K985 WeakPolarHBondContact OD2-CB 3.32Å; D892-K985 WeakPolarHBondContact OD2-CD 3.49Å; K985-V987 VanDerWaalsContact C-N 3.26Å; K985-V987 HydrophobicContact CB-CG2 4.16Å; K985-V987 PolarHBondContact O-N 3.38Å; K985-V987 VanDerWaalsContact O-N 3.14Å; K985-N988 WeakPolarHBondContact O-CA 3.42Å; K985-N988 WeakPolarHBondContact O-CB 3.47Å; K985-N988 PolarHBondContact O-N 3.21Å |
| 986 | R | 69.4 | Low | 82.2 | Confident | 153 Ų | 153 | 42.6 Ų | 42.6 | 58% | 0.577 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -56.7 | -34.3 | -174.7 | -167.8 | 147 | -178.8 | 166.4 | -0.5 | 114.6 | N988 E989 | R986-N988 PolarHBondContact O-N 2.98Å; R986-N988 VanDerWaalsContact O-N 3.12Å; R986-E989 PolarHBondContact O-N 3.37Å |
| 987 | V | 70.4 | Confident | 82.7 | Confident | 35 Ų | 35 | 45.2 Ų | 45.2 | 21% | 0.212 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -60 | -20.1 | 174.1 | -67.1 | 0 | 0 | 0 | 0 | 113.9 | D892 M929 K985 N990 | D892-V987 HydrophobicContact CB-CG1 3.67Å; D892-V987 VanDerWaalsContact OD2-CG2 3.28Å; D892-V987 WeakPolarHBondContact OD2-CG2 3.48Å; M929-V987 HydrophobicContact CE-CG1 3.37Å; M929-V987 HydrophobicContact CG-CG1 4.1Å; M929-V987 HydrophobicContact SD-CB 4.23Å; M929-V987 HydrophobicContact SD-CG1 3.56Å; M929-V987 VanDerWaalsContact SD-CG1 3.56Å; K985-V987 VanDerWaalsContact C-N 3.26Å; K985-V987 HydrophobicContact CB-CG2 4.16Å; K985-V987 PolarHBondContact O-N 3.38Å; K985-V987 VanDerWaalsContact O-N 3.14Å; V987-N990 PolarHBondContact O-OD1 3.19Å |
| 988 | N | 78.8 | Confident | 83 | Confident | 41 Ų | 41 | 45.2 Ų | 45.2 | 22% | 0.219 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -105.5 | -3.6 | -176.2 | -56.2 | -51.1 | 0 | 0 | 0 | 113.1 | L962 K985 R986 N990 | L962-N988 HydrophobicContact CD1-CB 3.75Å; L962-N988 WeakPolarHBondContact CD1-ND2 3.49Å; L962-N988 WeakPolarHBondContact CD1-OD1 3.38Å; L962-N988 HydrophobicContact CG-CB 4.4Å; K985-N988 WeakPolarHBondContact O-CA 3.42Å; K985-N988 WeakPolarHBondContact O-CB 3.47Å; K985-N988 PolarHBondContact O-N 3.21Å; R986-N988 PolarHBondContact O-N 2.98Å; R986-N988 VanDerWaalsContact O-N 3.12Å; N988-N990 WeakPolarHBondContact CA-OD1 3.41Å; N988-N990 PolarHBondContact O-N 2.7Å |
| 989 | E | 80.3 | Confident | 83.3 | Confident | 47 Ų | 47 | 45.7 Ų | 45.7 | 22% | 0.22 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -26.2 | 171.9 | -64.5 | 174.3 | -168.3 | 0 | 0 | 110.6 | R986 G991 F994 N1048 | R986-E989 PolarHBondContact O-N 3.37Å; E989-G991 PolarHBondContact O-N 3.44Å; E989-F994 HydrophobicContact CB-CB 4.25Å; E989-F994 HydrophobicContact CB-CD2 3.7Å; E989-F994 HydrophobicContact CB-CE2 4.19Å; E989-F994 HydrophobicContact CB-CG 3.98Å; E989-F994 HydrophobicContact CG-CB 4.3Å; E989-F994 HydrophobicContact CG-CD1 3.94Å; E989-F994 HydrophobicContact CG-CD2 3.7Å; E989-F994 HydrophobicContact CG-CE1 4.16Å; E989-F994 HydrophobicContact CG-CE2 3.9Å; E989-F994 HydrophobicContact CG-CG 3.71Å; E989-F994 HydrophobicContact CG-CZ 4.15Å; E989-N1048 PolarHBondContact O-ND2 3.45Å |
| 990 | N | 73.8 | Confident | 83.3 | Confident | 18 Ų | 18 | 45.9 Ų | 45.9 | 10% | 0.096 | 22% | 0.222 | C | C | . | . | trans | 57.1 | -11.6 | 173.6 | -64.2 | -12.6 | 0 | 0 | 0 | 116.3 | P957 T958 K959 V987 N988 | P957-N990 CarbonylContact C-O 3.46Å; P957-N990 VanDerWaalsContact CA-O 3.22Å; P957-N990 WeakPolarHBondContact CA-O 3.43Å; P957-N990 WeakPolarHBondContact CB-O 3.45Å; T958-N990 PolarHBondContact N-O 3.19Å; T958-N990 CarbonylContact O-C 3.45Å; T958-N990 WeakPolarHBondContact O-CB 3.31Å; K959-N990 PolarHBondContact O-ND2 3.42Å; V987-N990 PolarHBondContact O-OD1 3.19Å; N988-N990 WeakPolarHBondContact CA-OD1 3.41Å; N988-N990 PolarHBondContact O-N 2.7Å | ||
| 991 | G | 77.8 | Confident | 83.2 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 6% | 0.062 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -172.8 | 173.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E989 N1048 | E989-G991 PolarHBondContact O-N 3.44Å; G991-N1048 WeakPolarHBondContact CA-ND2 3.4Å; G991-N1048 PolarHBondContact N-ND2 2.85Å |
| 992 | P | 76.1 | Confident | 82.7 | Confident | 69 Ų | 69 | 45.5 Ų | 45.5 | 45% | 0.448 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -73.2 | 168.8 | -176.1 | 27.9 | -31.4 | 0 | 0 | 0 | 113.5 | F994 N1048 S1049 | P992-F994 VanDerWaalsContact C-N 3.33Å; P992-F994 PolarHBondContact O-N 3.06Å; P992-N1048 WeakPolarHBondContact O-CB 3.4Å; P992-S1049 PolarHBondContact O-N 2.95Å; P992-S1049 PolarHBondContact O-OG 3.3Å; P992-S1049 VanDerWaalsContact O-OG 3.04Å |
| 993 | N | 78.7 | Confident | 82.5 | Confident | 114 Ų | 114 | 48.2 Ų | 48.2 | 61% | 0.61 | 23% | 0.231 | S | C | * | . | S | Bend | trans | 56.8 | 36.4 | -178 | -60.4 | -23.3 | 0 | 0 | 0 | 115.5 | H995 S1049 | N993-H995 PolarHBondContact O-N 3.45Å; N993-H995 PolarHBondContact O-ND1 2.99Å; N993-S1049 WeakPolarHBondContact CB-OG 3.16Å; N993-S1049 PolarHBondContact ND2-OG 2.81Å; N993-S1049 VanDerWaalsContact ND2-OG 3.09Å |
| 994 | F | 84.5 | Confident | 82 | Confident | 45 Ų | 45 | 52.5 Ų | 52.5 | 20% | 0.197 | 25% | 0.248 | C | C | . | . | trans | -64.8 | 126.6 | 179.1 | -177 | -93.1 | 0 | 0 | 0 | 112.5 | L984 E989 P992 Y996 A1046 V1047 | L984-F994 HydrophobicContact CB-CZ 4.11Å; L984-F994 HydrophobicContact CD1-CE2 4.04Å; L984-F994 HydrophobicContact CD1-CZ 3.98Å; L984-F994 HydrophobicContact CG-CZ 4.47Å; E989-F994 HydrophobicContact CB-CB 4.25Å; E989-F994 HydrophobicContact CB-CD2 3.7Å; E989-F994 HydrophobicContact CB-CE2 4.19Å; E989-F994 HydrophobicContact CB-CG 3.98Å; E989-F994 HydrophobicContact CG-CB 4.3Å; E989-F994 HydrophobicContact CG-CD1 3.94Å; E989-F994 HydrophobicContact CG-CD2 3.7Å; E989-F994 HydrophobicContact CG-CE1 4.16Å; E989-F994 HydrophobicContact CG-CE2 3.9Å; E989-F994 HydrophobicContact CG-CG 3.71Å; E989-F994 HydrophobicContact CG-CZ 4.15Å; P992-F994 VanDerWaalsContact C-N 3.33Å; P992-F994 PolarHBondContact O-N 3.06Å; F994-Y996 HydrophobicContact CE1-CD2 4.29Å; F994-Y996 HydrophobicContact CE1-CE1 4.25Å; F994-Y996 AromaticContact CE1-CE2 3.56Å; F994-Y996 HydrophobicContact CE1-CE2 3.56Å; F994-Y996 AromaticContact CE1-CZ 3.51Å; F994-Y996 WeakPolarHBondContact CE1-OH 3.31Å; F994-Y996 AromaticContact CZ-CE1 3.89Å; F994-Y996 HydrophobicContact CZ-CE1 3.89Å; F994-Y996 HydrophobicContact CZ-CE2 4.05Å; F994-Y996 AromaticContact CZ-CZ 3.53Å; F994-Y996 WeakPolarHBondContact CZ-OH 3.48Å; F994-A1046 HydrophobicContact CE2-CB 3.7Å; F994-A1046 HydrophobicContact CZ-CB 3.89Å; F994-V1047 CarbonylContact C-O 3.6Å; F994-V1047 VanDerWaalsContact CA-O 3.23Å; F994-V1047 WeakPolarHBondContact CA-O 3.22Å | ||
| 995 | H | 90.5 | Very high | 81.9 | Confident | 20 Ų | 20 | 55.9 Ų | 55.9 | 9% | 0.093 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 171 | 172.9 | 62.6 | -74 | 0 | 0 | 0 | 111 | N993 D1012 W1014 V1047 | N993-H995 PolarHBondContact O-N 3.45Å; N993-H995 PolarHBondContact O-ND1 2.99Å; H995-D1012 IonicContact CD2-OD1 3.09Å; H995-D1012 IonicContact NE2-OD1 3.44Å; H995-W1014 HydrophobicContact CB-CD2 4.12Å; H995-W1014 HydrophobicContact CB-CE3 3.86Å; H995-W1014 HydrophobicContact CB-CH2 4.3Å; H995-W1014 HydrophobicContact CB-CZ3 3.96Å; H995-W1014 AromaticContact CD2-CE2 3.92Å; H995-W1014 AromaticContact CD2-CZ2 3.84Å; H995-W1014 AromaticContact CE1-CH2 3.74Å; H995-W1014 AromaticContact CE1-CZ2 3.7Å; H995-W1014 AromaticContact CG-CH2 3.78Å; H995-W1014 AromaticContact CG-CZ2 3.81Å; H995-W1014 AromaticContact CG-CZ3 3.96Å; H995-W1014 AromaticContact ND1-CH2 3.43Å; H995-W1014 WeakPolarHBondContact ND1-CH2 3.32Å; H995-W1014 AromaticContact ND1-CZ2 3.74Å; H995-W1014 AromaticContact ND1-CZ3 3.87Å; H995-W1014 AromaticContact NE2-CZ2 3.79Å; H995-V1047 PolarHBondContact N-O 2.85Å; H995-V1047 PolarHBondContact O-N 3.36Å |
| 996 | Y | 92.6 | Very high | 82.1 | Confident | 10 Ų | 10 | 54.4 Ų | 54.4 | 4% | 0.039 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 157.9 | 175.3 | -64.9 | -82.9 | 0 | 0 | 0 | 111.3 | P964 W981 P983 L984 F994 L1013 M1025 V1044 Q1045 A1046 | P964-Y996 HydrophobicContact CB-CE1 4.41Å; P964-Y996 HydrophobicContact CG-CD1 4.17Å; P964-Y996 HydrophobicContact CG-CE1 4.07Å; W981-Y996 AromaticContact CE2-CG 3.92Å; W981-Y996 HydrophobicContact CZ2-CD1 4.45Å; W981-Y996 AromaticContact CZ2-CD2 3.82Å; W981-Y996 HydrophobicContact CZ2-CD2 3.82Å; W981-Y996 AromaticContact CZ2-CG 3.79Å; W981-Y996 HydrophobicContact CZ2-CG 3.79Å; W981-Y996 AromaticContact NE1-CD1 3.43Å; W981-Y996 AromaticContact NE1-CD2 3.67Å; W981-Y996 AromaticContact NE1-CE1 3.41Å; W981-Y996 AromaticContact NE1-CE2 3.66Å; W981-Y996 AromaticContact NE1-CG 3.57Å; W981-Y996 AromaticContact NE1-CZ 3.54Å; P983-Y996 WeakPolarHBondContact CA-OH 3.29Å; L984-Y996 PolarHBondContact N-OH 3.31Å; F994-Y996 HydrophobicContact CE1-CD2 4.29Å; F994-Y996 HydrophobicContact CE1-CE1 4.25Å; F994-Y996 AromaticContact CE1-CE2 3.56Å; F994-Y996 HydrophobicContact CE1-CE2 3.56Å; F994-Y996 AromaticContact CE1-CZ 3.51Å; F994-Y996 WeakPolarHBondContact CE1-OH 3.31Å; F994-Y996 AromaticContact CZ-CE1 3.89Å; F994-Y996 HydrophobicContact CZ-CE1 3.89Å; F994-Y996 HydrophobicContact CZ-CE2 4.05Å; F994-Y996 AromaticContact CZ-CZ 3.53Å; F994-Y996 WeakPolarHBondContact CZ-OH 3.48Å; Y996-L1013 WeakPolarHBondContact O-CA 3.4Å; Y996-L1013 WeakPolarHBondContact O-CB 3.01Å; Y996-L1013 PolarHBondContact O-N 2.97Å; Y996-M1025 HydrophobicContact CD2-CE 4.42Å; Y996-M1025 HydrophobicContact CE2-CE 4.41Å; Y996-V1044 HydrophobicContact CD1-CG1 4.07Å; Y996-V1044 HydrophobicContact CG-CG1 4.47Å; Y996-Q1045 CarbonylContact C-O 3.46Å; Y996-Q1045 VanDerWaalsContact CA-O 3.31Å; Y996-Q1045 WeakPolarHBondContact CA-O 3.13Å; Y996-A1046 HydrophobicContact CD1-CB 4.2Å; Y996-A1046 HydrophobicContact CE1-CB 4.07Å |
| 997 | R | 93.2 | Very high | 82.8 | Confident | 69 Ų | 69 | 55 Ų | 55 | 26% | 0.26 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 130.3 | 173 | 177.2 | -179.6 | -64 | 172.3 | -3.6 | 109.7 | I1010 H1011 D1012 V1044 Q1045 V1047 | R997-I1010 HydrophobicContact CG-CG2 3.67Å; R997-H1011 CarbonylContact C-O 3.44Å; R997-H1011 WeakPolarHBondContact CA-O 3.38Å; R997-D1012 IonicContact CZ-OD1 2.94Å; R997-D1012 VanDerWaalsContact CZ-OD1 3.3Å; R997-D1012 IonicContact NE-OD1 3.12Å; R997-D1012 PolarHBondContact NE-OD1 3.33Å; R997-D1012 IonicContact NE-OD2 3.48Å; R997-D1012 IonicContact NH2-OD1 3.42Å; R997-D1012 PolarHBondContact NH2-OD1 2.81Å; R997-D1012 IonicContact NH2-OD2 3.82Å; R997-D1012 PolarHBondContact NH2-OD2 2.84Å; R997-V1044 CarbonylContact O-C 3.55Å; R997-V1044 WeakPolarHBondContact O-CA 3.46Å; R997-Q1045 HydrophobicContact CB-CG 3.87Å; R997-Q1045 HydrophobicContact CG-CG 4.49Å; R997-Q1045 PolarHBondContact N-O 2.78Å; R997-Q1045 PolarHBondContact O-N 3.22Å; R997-V1047 HydrophobicContact CB-CG2 4.38Å |
| 998 | A | 91.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 144.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | F979 I1000 I1010 H1011 L1013 M1043 V1044 | F979-A998 HydrophobicContact CE2-CB 3.9Å; F979-A998 HydrophobicContact CZ-CB 3.7Å; A998-I1000 HydrophobicContact CB-CD1 4.3Å; A998-I1000 HydrophobicContact CB-CG1 4.19Å; A998-I1010 CarbonylContact O-C 3.48Å; A998-I1010 WeakPolarHBondContact O-CA 3.22Å; A998-H1011 PolarHBondContact N-O 3.1Å; A998-H1011 PolarHBondContact O-N 2.84Å; A998-L1013 HydrophobicContact CB-CD1 3.66Å; A998-L1013 HydrophobicContact CB-CD2 4.2Å; A998-L1013 HydrophobicContact CB-CG 4.17Å; A998-M1043 CarbonylContact C-O 3.59Å; A998-M1043 WeakPolarHBondContact CA-O 3.11Å; A998-V1044 HydrophobicContact CB-CG2 4.37Å |
| 999 | H | 92.6 | Very high | 83.9 | Confident | 26 Ų | 26 | 57.4 Ų | 57.4 | 12% | 0.12 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 118.6 | 172.3 | -65.1 | -121.8 | 0 | 0 | 0 | 107.8 | Y1008 S1009 V1042 M1043 | H999-Y1008 HydrophobicContact CB-CD1 4.01Å; H999-Y1008 HydrophobicContact CB-CG 4.27Å; H999-S1009 CarbonylContact C-O 3.53Å; H999-S1009 WeakPolarHBondContact CA-O 3.36Å; H999-V1042 CarbonylContact O-C 3.58Å; H999-V1042 WeakPolarHBondContact O-CA 3.48Å; H999-M1043 HydrophobicContact CB-CB 4.28Å; H999-M1043 HydrophobicContact CB-CE 3.96Å; H999-M1043 PolarHBondContact N-O 3.11Å; H999-M1043 PolarHBondContact O-N 3.42Å |
| 1000 | I | 90.1 | Very high | 84.3 | Confident | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.015 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 130.8 | -169.2 | -52.4 | 170.1 | 0 | 0 | 0 | 110.5 | L977 F979 A998 S1009 L1029 Y1040 D1041 V1042 | L977-I1000 HydrophobicContact CD2-CG2 3.95Å; F979-I1000 HydrophobicContact CE1-CD1 3.51Å; F979-I1000 HydrophobicContact CE1-CG1 4.28Å; F979-I1000 HydrophobicContact CZ-CD1 3.76Å; F979-I1000 HydrophobicContact CZ-CG1 4.4Å; A998-I1000 HydrophobicContact CB-CD1 4.3Å; A998-I1000 HydrophobicContact CB-CG1 4.19Å; I1000-S1009 PolarHBondContact N-O 3.36Å; I1000-S1009 PolarHBondContact O-N 3.16Å; I1000-S1009 PolarHBondContact O-OG 2.96Å; I1000-L1029 HydrophobicContact CD1-CD2 3.99Å; I1000-L1029 HydrophobicContact CG2-CD2 4.29Å; I1000-Y1040 HydrophobicContact CG2-CD1 4.27Å; I1000-D1041 WeakPolarHBondContact CA-O 3.25Å; I1000-V1042 HydrophobicContact CG1-CG1 4.32Å; I1000-V1042 HydrophobicContact CG1-CG2 4.29Å; I1000-V1042 HydrophobicContact CG2-CG2 4.21Å |
| 1001 | K | 87.8 | Confident | 84.9 | Confident | 41 Ų | 41 | 61.6 Ų | 61.6 | 18% | 0.178 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 149.5 | 169.7 | 71.9 | -179.9 | -170.6 | 158.2 | 0 | 112.3 | N1005 E1007 Y1008 Y1040 D1041 | K1001-N1005 WeakPolarHBondContact CD-O 3.28Å; K1001-N1005 PolarHBondContact NZ-O 2.81Å; K1001-E1007 VanDerWaalsContact CB-O 3.24Å; K1001-E1007 WeakPolarHBondContact CB-O 3.41Å; K1001-Y1008 HydrophobicContact CB-CD1 3.88Å; K1001-Y1008 HydrophobicContact CB-CE1 4.2Å; K1001-Y1008 HydrophobicContact CB-CG 4.26Å; K1001-Y1008 HydrophobicContact CD-CD1 3.99Å; K1001-Y1008 HydrophobicContact CD-CD2 3.91Å; K1001-Y1008 HydrophobicContact CD-CE1 3.76Å; K1001-Y1008 HydrophobicContact CD-CE2 3.68Å; K1001-Y1008 HydrophobicContact CD-CG 4.07Å; K1001-Y1008 HydrophobicContact CG-CD1 3.75Å; K1001-Y1008 HydrophobicContact CG-CE1 3.54Å; K1001-Y1008 HydrophobicContact CG-CE2 4.4Å; K1001-Y1008 HydrophobicContact CG-CG 4.28Å; K1001-Y1040 CarbonylContact O-C 3.54Å; K1001-Y1040 VanDerWaalsContact O-CA 3.24Å; K1001-Y1040 WeakPolarHBondContact O-CA 3.45Å; K1001-Y1040 WeakPolarHBondContact O-CB 3.34Å; K1001-Y1040 WeakPolarHBondContact O-CD1 3.47Å; K1001-D1041 HydrophobicContact CG-CB 4.1Å; K1001-D1041 PolarHBondContact N-O 2.95Å; K1001-D1041 PolarHBondContact O-N 3.15Å |
| 1002 | A | 81.6 | Confident | 85.5 | Confident | 9 Ų | 9 | 64.7 Ų | 64.7 | 7% | 0.074 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 142.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | E1004 N1005 Y1040 | A1002-E1004 HydrophobicContact CB-CG 4.14Å; A1002-E1004 PolarHBondContact O-N 3.4Å; A1002-E1004 VanDerWaalsContact O-N 3.07Å; A1002-N1005 HydrophobicContact CB-CB 4.38Å; A1002-N1005 WeakPolarHBondContact O-CB 3.03Å; A1002-N1005 PolarHBondContact O-N 2.88Å; A1002-Y1040 HydrophobicContact CB-CD1 4.06Å; A1002-Y1040 HydrophobicContact CB-CE1 3.71Å |
| 1003 | K | 79 | Confident | 86 | Confident | 120 Ų | 120 | 61.6 Ų | 61.6 | 52% | 0.522 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -25.8 | -176 | -168.1 | 165.9 | -174.7 | 163.8 | 0 | 113.5 | P1039 T1060 | K1003-P1039 HydrophobicContact CB-CB 4.27Å; K1003-P1039 HydrophobicContact CB-CG 4.07Å; K1003-P1039 WeakPolarHBondContact CB-O 3.37Å; K1003-P1039 HydrophobicContact CD-CB 4.12Å; K1003-P1039 HydrophobicContact CD-CG 4.12Å; K1003-P1039 PolarHBondContact N-O 3.39Å; K1003-T1060 HydrophobicContact CD-CG2 4.29Å |
| 1004 | E | 77.4 | Confident | 86.1 | Confident | 131 Ų | 131 | 63.8 Ų | 63.8 | 61% | 0.612 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -14.3 | 175.3 | 58.6 | -165.7 | 162.5 | 0 | 0 | 114.1 | A1002 K1038 | A1002-E1004 HydrophobicContact CB-CG 4.14Å; A1002-E1004 PolarHBondContact O-N 3.4Å; A1002-E1004 VanDerWaalsContact O-N 3.07Å; E1004-K1038 IonicContact OE1-NZ 3.71Å; E1004-K1038 PolarHBondContact OE1-NZ 3.37Å; E1004-K1038 IonicContact OE2-NZ 3.93Å |
| 1005 | N | 81.3 | Confident | 85.6 | Confident | 91 Ų | 91 | 66.7 Ų | 66.7 | 49% | 0.487 | 34% | 0.335 | S | S | . | . | trans | -94.6 | 148.3 | -177.3 | -66.9 | -4.1 | 0 | 0 | 0 | 112.2 | K1001 A1002 | K1001-N1005 WeakPolarHBondContact CD-O 3.28Å; K1001-N1005 PolarHBondContact NZ-O 2.81Å; A1002-N1005 HydrophobicContact CB-CB 4.38Å; A1002-N1005 WeakPolarHBondContact O-CB 3.03Å; A1002-N1005 PolarHBondContact O-N 2.88Å | ||
| 1006 | A | 77.5 | Confident | 85.1 | Confident | 94 Ų | 94 | 66.4 Ų | 66.4 | 78% | 0.777 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -78.3 | -39.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1007 | E | 83 | Confident | 84.5 | Confident | 167 Ų | 167 | 73.8 Ų | 73.8 | 78% | 0.78 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -101.9 | 143.1 | -169.7 | -65.7 | -174.3 | 170.6 | 0 | 0 | 113.7 | K1001 | K1001-E1007 VanDerWaalsContact CB-O 3.24Å; K1001-E1007 WeakPolarHBondContact CB-O 3.41Å |
| 1008 | Y | 86 | Confident | 83.8 | Confident | 70 Ų | 70 | 75.2 Ų | 75.2 | 28% | 0.275 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -87.7 | 131.1 | 172.3 | -74.8 | -86 | 0 | 0 | 0 | 111.3 | H999 K1001 D1041 M1043 | H999-Y1008 HydrophobicContact CB-CD1 4.01Å; H999-Y1008 HydrophobicContact CB-CG 4.27Å; K1001-Y1008 HydrophobicContact CB-CD1 3.88Å; K1001-Y1008 HydrophobicContact CB-CE1 4.2Å; K1001-Y1008 HydrophobicContact CB-CG 4.26Å; K1001-Y1008 HydrophobicContact CD-CD1 3.99Å; K1001-Y1008 HydrophobicContact CD-CD2 3.91Å; K1001-Y1008 HydrophobicContact CD-CE1 3.76Å; K1001-Y1008 HydrophobicContact CD-CE2 3.68Å; K1001-Y1008 HydrophobicContact CD-CG 4.07Å; K1001-Y1008 HydrophobicContact CG-CD1 3.75Å; K1001-Y1008 HydrophobicContact CG-CE1 3.54Å; K1001-Y1008 HydrophobicContact CG-CE2 4.4Å; K1001-Y1008 HydrophobicContact CG-CG 4.28Å; Y1008-D1041 HydrophobicContact CE1-CB 4.11Å; Y1008-M1043 HydrophobicContact CD1-CE 4.05Å; Y1008-M1043 HydrophobicContact CD2-CE 4.06Å; Y1008-M1043 HydrophobicContact CE1-CE 3.7Å; Y1008-M1043 HydrophobicContact CE2-CE 3.7Å; Y1008-M1043 HydrophobicContact CG-CE 4.23Å |
| 1009 | S | 87 | Confident | 83 | Confident | 55 Ų | 55 | 76.1 Ų | 76.1 | 39% | 0.385 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 135.4 | 164.4 | 65.9 | 0 | 0 | 0 | 0 | 110.3 | H999 I1000 H1011 | H999-S1009 CarbonylContact C-O 3.53Å; H999-S1009 WeakPolarHBondContact CA-O 3.36Å; I1000-S1009 PolarHBondContact N-O 3.36Å; I1000-S1009 PolarHBondContact O-N 3.16Å; I1000-S1009 PolarHBondContact O-OG 2.96Å; S1009-H1011 PolarHBondContact OG-NE2 3.42Å |
| 1010 | I | 87.9 | Confident | 82.1 | Confident | 101 Ų | 101 | 83.3 Ų | 83.3 | 52% | 0.518 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 131.2 | -176.1 | -53.7 | -179.5 | 0 | 0 | 0 | 109.6 | R997 A998 | R997-I1010 HydrophobicContact CG-CG2 3.67Å; A998-I1010 CarbonylContact O-C 3.48Å; A998-I1010 WeakPolarHBondContact O-CA 3.22Å |
| 1011 | H | 88 | Confident | 81.3 | Confident | 52 Ų | 52 | 86.9 Ų | 86.9 | 24% | 0.241 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 121.4 | -177.4 | -60.8 | -91.5 | 0 | 0 | 0 | 110.9 | R997 A998 S1009 L1013 | R997-H1011 CarbonylContact C-O 3.44Å; R997-H1011 WeakPolarHBondContact CA-O 3.38Å; A998-H1011 PolarHBondContact N-O 3.1Å; A998-H1011 PolarHBondContact O-N 2.84Å; S1009-H1011 PolarHBondContact OG-NE2 3.42Å; H1011-L1013 HydrophobicContact CB-CD2 4.02Å |
| 1012 | D | 88.3 | Confident | 80.6 | Confident | 71 Ų | 71 | 87.4 Ų | 87.4 | 38% | 0.38 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 120.5 | 171.5 | -78 | -42.9 | 0 | 0 | 0 | 110.7 | H995 R997 W1014 | H995-D1012 IonicContact CD2-OD1 3.09Å; H995-D1012 IonicContact NE2-OD1 3.44Å; R997-D1012 IonicContact CZ-OD1 2.94Å; R997-D1012 VanDerWaalsContact CZ-OD1 3.3Å; R997-D1012 IonicContact NE-OD1 3.12Å; R997-D1012 PolarHBondContact NE-OD1 3.33Å; R997-D1012 IonicContact NE-OD2 3.48Å; R997-D1012 IonicContact NH2-OD1 3.42Å; R997-D1012 PolarHBondContact NH2-OD1 2.81Å; R997-D1012 IonicContact NH2-OD2 3.82Å; R997-D1012 PolarHBondContact NH2-OD2 2.84Å; D1012-W1014 PolarHBondContact O-N 2.88Å |
| 1013 | L | 88 | Confident | 80.4 | Confident | 4 Ų | 4 | 94 Ų | 94 | 2% | 0.021 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 71 | -167.3 | -48.4 | 178.3 | 0 | 0 | 0 | 111.4 | F979 W981 Y996 A998 H1011 T1015 A1016 Y1027 | F979-L1013 HydrophobicContact CE2-CD1 4.29Å; F979-L1013 HydrophobicContact CZ-CD1 4.48Å; W981-L1013 HydrophobicContact CH2-CD1 3.35Å; W981-L1013 HydrophobicContact CZ2-CD1 3.96Å; W981-L1013 HydrophobicContact CZ3-CD1 3.98Å; Y996-L1013 WeakPolarHBondContact O-CA 3.4Å; Y996-L1013 WeakPolarHBondContact O-CB 3.01Å; Y996-L1013 PolarHBondContact O-N 2.97Å; A998-L1013 HydrophobicContact CB-CD1 3.66Å; A998-L1013 HydrophobicContact CB-CD2 4.2Å; A998-L1013 HydrophobicContact CB-CG 4.17Å; H1011-L1013 HydrophobicContact CB-CD2 4.02Å; L1013-T1015 VanDerWaalsContact C-N 3.3Å; L1013-A1016 HydrophobicContact CB-CB 4.41Å; L1013-Y1027 HydrophobicContact CD2-CD1 3.89Å; L1013-Y1027 HydrophobicContact CD2-CD2 3.82Å; L1013-Y1027 HydrophobicContact CD2-CE1 3.8Å; L1013-Y1027 HydrophobicContact CD2-CE2 3.75Å; L1013-Y1027 HydrophobicContact CD2-CG 3.88Å |
| 1014 | W | 79.6 | Confident | 80.6 | Confident | 161 Ų | 161 | 89.8 Ų | 89.8 | 61% | 0.61 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -71.6 | -25.9 | 176.4 | -63.6 | 91.6 | 0 | 0 | 0 | 113.4 | H995 D1012 | H995-W1014 HydrophobicContact CB-CD2 4.12Å; H995-W1014 HydrophobicContact CB-CE3 3.86Å; H995-W1014 HydrophobicContact CB-CH2 4.3Å; H995-W1014 HydrophobicContact CB-CZ3 3.96Å; H995-W1014 AromaticContact CD2-CE2 3.92Å; H995-W1014 AromaticContact CD2-CZ2 3.84Å; H995-W1014 AromaticContact CE1-CH2 3.74Å; H995-W1014 AromaticContact CE1-CZ2 3.7Å; H995-W1014 AromaticContact CG-CH2 3.78Å; H995-W1014 AromaticContact CG-CZ2 3.81Å; H995-W1014 AromaticContact CG-CZ3 3.96Å; H995-W1014 AromaticContact ND1-CH2 3.43Å; H995-W1014 WeakPolarHBondContact ND1-CH2 3.32Å; H995-W1014 AromaticContact ND1-CZ2 3.74Å; H995-W1014 AromaticContact ND1-CZ3 3.87Å; H995-W1014 AromaticContact NE2-CZ2 3.79Å; D1012-W1014 PolarHBondContact O-N 2.88Å |
| 1015 | T | 75.3 | Confident | 81 | Confident | 105 Ų | 105 | 85 Ų | 85 | 64% | 0.644 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -117.6 | 15.2 | -166.6 | 54.9 | 0 | 0 | 0 | 0 | 114 | L1013 K1017 | L1013-T1015 VanDerWaalsContact C-N 3.3Å; T1015-K1017 PolarHBondContact O-N 2.87Å |
| 1016 | A | 79.8 | Confident | 81.3 | Confident | 15 Ų | 15 | 83.5 Ų | 83.5 | 12% | 0.124 | 44% | 0.438 | C | S | . | . | trans | -57.2 | 136.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | W981 L1013 M1025 Y1027 | W981-A1016 HydrophobicContact CH2-CB 3.72Å; W981-A1016 HydrophobicContact CZ2-CB 4.03Å; L1013-A1016 HydrophobicContact CB-CB 4.41Å; A1016-M1025 HydrophobicContact CB-CE 3.49Å; A1016-M1025 VanDerWaalsContact CB-CE 3.49Å; A1016-M1025 VanDerWaalsContact O-CE 3.28Å; A1016-M1025 WeakPolarHBondContact O-CE 3.4Å; A1016-Y1027 HydrophobicContact CB-CD2 4.41Å | ||
| 1017 | K | 79.5 | Confident | 81.8 | Confident | 164 Ų | 164 | 81.3 Ų | 81.3 | 71% | 0.713 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 146.1 | -172.1 | -66.4 | -175.1 | 179.1 | -178.9 | 0 | 110 | T1015 S1019 Q1026 | T1015-K1017 PolarHBondContact O-N 2.87Å; K1017-S1019 PolarHBondContact O-N 2.89Å; K1017-Q1026 PolarHBondContact N-O 3.01Å; K1017-Q1026 WeakPolarHBondContact O-CA 2.86Å; K1017-Q1026 PolarHBondContact O-N 3.29Å |
| 1018 | M | 78.7 | Confident | 81.9 | Confident | 100 Ų | 100 | 76.6 Ų | 76.6 | 49% | 0.493 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 133.9 | 170.1 | -159 | 67.8 | 68.1 | 0 | 0 | 109.2 | P983 F1024 M1025 | P983-M1018 HydrophobicContact CG-CE 4.36Å; P983-M1018 HydrophobicContact CG-SD 4.49Å; M1018-F1024 VanDerWaalsContact SD-O 3.34Å; M1018-M1025 HydrophobicContact CE-SD 4.3Å; M1018-M1025 HydrophobicContact SD-CG 4.46Å |
| 1019 | S | 75.8 | Confident | 81.8 | Confident | 19 Ų | 19 | 74.9 Ų | 74.9 | 13% | 0.133 | 39% | 0.388 | C | S | . | . | trans | -65.6 | 158.4 | 173.6 | -163.7 | 0 | 0 | 0 | 0 | 110.3 | K1017 D1021 G1022 F1024 Q1026 | K1017-S1019 PolarHBondContact O-N 2.89Å; S1019-D1021 WeakPolarHBondContact CB-OD1 3.22Å; S1019-D1021 PolarHBondContact O-N 3.15Å; S1019-D1021 VanDerWaalsContact O-N 3.09Å; S1019-G1022 WeakPolarHBondContact O-CA 3.26Å; S1019-G1022 PolarHBondContact O-N 2.81Å; S1019-F1024 WeakPolarHBondContact CB-O 3.3Å; S1019-F1024 PolarHBondContact N-O 3.22Å; S1019-Q1026 PolarHBondContact OG-OE1 2.77Å | ||
| 1020 | D | 73.5 | Confident | 81.4 | Confident | 177 Ų | 177 | 77.8 Ų | 77.8 | 95% | 0.947 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -23.7 | -175.2 | -65.7 | -30 | 0 | 0 | 0 | 113.3 | G1022 | D1020-G1022 PolarHBondContact O-N 3.1Š|
| 1021 | D | 71.9 | Confident | 80.9 | Confident | 78 Ų | 78 | 74.1 Ų | 74.1 | 42% | 0.417 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -7.1 | 174.7 | 66.2 | 7 | 0 | 0 | 0 | 113.8 | S1019 K1023 | S1019-D1021 WeakPolarHBondContact CB-OD1 3.22Å; S1019-D1021 PolarHBondContact O-N 3.15Å; S1019-D1021 VanDerWaalsContact O-N 3.09Å; D1021-K1023 PolarHBondContact O-N 2.93Å; D1021-K1023 PolarHBondContact OD1-N 3.14Å |
| 1022 | G | 73.3 | Confident | 79.9 | Confident | 51 Ų | 51 | 73.8 Ų | 73.8 | 53% | 0.526 | 40% | 0.395 | S | S | . | . | S | Bend | trans | 68.5 | 4.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1019 D1020 | S1019-G1022 WeakPolarHBondContact O-CA 3.26Å; S1019-G1022 PolarHBondContact O-N 2.81Å; D1020-G1022 PolarHBondContact O-N 3.1Å |
| 1023 | K | 76.8 | Confident | 78.6 | Confident | 147 Ų | 147 | 76.5 Ų | 76.5 | 64% | 0.639 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -99.4 | -32.2 | -171.8 | -71.3 | -179 | -178.6 | 178.7 | 0 | 113.5 | P983 D1021 | P983-K1023 WeakPolarHBondContact CD-O 3.27Å; D1021-K1023 PolarHBondContact O-N 2.93Å; D1021-K1023 PolarHBondContact OD1-N 3.14Å |
| 1024 | F | 83.5 | Confident | 77.3 | Confident | 33 Ų | 33 | 83.2 Ų | 83.2 | 15% | 0.145 | 45% | 0.446 | C | S | . | . | trans | -117.7 | 143.1 | -174.6 | -64.7 | -94.3 | 0 | 0 | 0 | 111.1 | N966 K980 W981 I982 M1018 S1019 | N966-F1024 HydrophobicContact CB-CE1 4.06Å; K980-F1024 HydrophobicContact CB-CB 3.95Å; K980-F1024 HydrophobicContact CD-CB 3.9Å; K980-F1024 HydrophobicContact CD-CD1 4.27Å; K980-F1024 HydrophobicContact CD-CD2 4.29Å; K980-F1024 HydrophobicContact CD-CG 3.91Å; K980-F1024 HydrophobicContact CG-CB 4.12Å; K980-F1024 HydrophobicContact CG-CD1 4.08Å; K980-F1024 HydrophobicContact CG-CG 4.17Å; W981-F1024 CarbonylContact O-C 3.51Å; W981-F1024 VanDerWaalsContact O-CA 3.31Å; W981-F1024 WeakPolarHBondContact O-CA 3.42Å; I982-F1024 HydrophobicContact CD1-CE1 4.46Å; I982-F1024 HydrophobicContact CG1-CD1 4.02Å; I982-F1024 HydrophobicContact CG1-CE1 3.78Å; I982-F1024 HydrophobicContact CG1-CZ 4.42Å; M1018-F1024 VanDerWaalsContact SD-O 3.34Å; S1019-F1024 WeakPolarHBondContact CB-O 3.3Å; S1019-F1024 PolarHBondContact N-O 3.22Å | ||
| 1025 | M | 85.8 | Confident | 76.6 | Confident | 31 Ų | 31 | 78 Ų | 78 | 15% | 0.153 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 135.9 | 157.6 | -80.5 | -75.4 | -81.2 | 0 | 0 | 108.8 | K980 W981 P983 Y996 A1016 M1018 | K980-M1025 CarbonylContact C-O 3.55Å; K980-M1025 WeakPolarHBondContact CA-O 3.42Å; K980-M1025 WeakPolarHBondContact CB-O 3.49Å; W981-M1025 HydrophobicContact CD2-CB 4.15Å; W981-M1025 HydrophobicContact CH2-CB 4.43Å; W981-M1025 HydrophobicContact CZ2-CB 3.86Å; W981-M1025 PolarHBondContact N-O 2.78Å; W981-M1025 PolarHBondContact O-N 3.12Å; P983-M1025 HydrophobicContact CB-CG 3.85Å; P983-M1025 HydrophobicContact CG-CG 4.25Å; Y996-M1025 HydrophobicContact CD2-CE 4.42Å; Y996-M1025 HydrophobicContact CE2-CE 4.41Å; A1016-M1025 HydrophobicContact CB-CE 3.49Å; A1016-M1025 VanDerWaalsContact CB-CE 3.49Å; A1016-M1025 VanDerWaalsContact O-CE 3.28Å; A1016-M1025 WeakPolarHBondContact O-CE 3.4Å; M1018-M1025 HydrophobicContact CE-SD 4.3Å; M1018-M1025 HydrophobicContact SD-CG 4.46Å |
| 1026 | Q | 87.5 | Confident | 76.3 | Confident | 58 Ų | 58 | 75.4 Ų | 75.4 | 27% | 0.271 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 140.2 | -175 | -177.6 | -179.1 | -53.9 | 0 | 0 | 110.7 | V978 F979 K980 K1017 S1019 | V978-Q1026 HydrophobicContact CG1-CG 3.57Å; F979-Q1026 WeakPolarHBondContact O-CA 3.24Å; K980-Q1026 HydrophobicContact CB-CB 4.17Å; K980-Q1026 HydrophobicContact CB-CG 4.41Å; K1017-Q1026 PolarHBondContact N-O 3.01Å; K1017-Q1026 WeakPolarHBondContact O-CA 2.86Å; K1017-Q1026 PolarHBondContact O-N 3.29Å; S1019-Q1026 PolarHBondContact OG-OE1 2.77Å |
| 1027 | Y | 88.2 | Confident | 76 | Confident | 49 Ų | 49 | 79.7 Ų | 79.7 | 19% | 0.192 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 138.9 | 173.4 | -170.7 | -103.2 | 0 | 0 | 0 | 110.5 | V978 F979 L1013 A1016 L1029 | V978-Y1027 WeakPolarHBondContact CA-O 3.44Å; F979-Y1027 AromaticContact CE1-CD1 3.71Å; F979-Y1027 HydrophobicContact CE1-CD1 3.71Å; F979-Y1027 AromaticContact CZ-CD1 3.59Å; F979-Y1027 HydrophobicContact CZ-CD1 3.59Å; F979-Y1027 HydrophobicContact CZ-CG 4.15Å; F979-Y1027 PolarHBondContact N-O 2.84Å; F979-Y1027 VanDerWaalsContact N-O 3.08Å; F979-Y1027 PolarHBondContact O-N 3.45Å; L1013-Y1027 HydrophobicContact CD2-CD1 3.89Å; L1013-Y1027 HydrophobicContact CD2-CD2 3.82Å; L1013-Y1027 HydrophobicContact CD2-CE1 3.8Å; L1013-Y1027 HydrophobicContact CD2-CE2 3.75Å; L1013-Y1027 HydrophobicContact CD2-CG 3.88Å; A1016-Y1027 HydrophobicContact CB-CD2 4.41Å; Y1027-L1029 HydrophobicContact CE1-CB 4.38Å; Y1027-L1029 HydrophobicContact CE1-CD1 4.5Å |
| 1028 | T | 85.3 | Confident | 75.9 | Confident | 68 Ų | 68 | 75.2 Ų | 75.2 | 42% | 0.417 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 117.6 | -179.3 | -58.3 | 0 | 0 | 0 | 0 | 108.9 | T976 V978 | T976-T1028 HydrophobicContact CG2-CG2 4.03Å; V978-T1028 HydrophobicContact CG2-CG2 3.89Å |
| 1029 | L | 84.1 | Confident | 76.2 | Confident | 33 Ų | 33 | 72.8 Ų | 72.8 | 17% | 0.173 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 130 | 175 | -177.5 | 70.6 | 0 | 0 | 0 | 109.8 | T976 L977 I1000 Y1027 L1031 | T976-L1029 CarbonylContact C-O 3.51Å; T976-L1029 VanDerWaalsContact CA-O 3.29Å; T976-L1029 WeakPolarHBondContact CA-O 3.46Å; L977-L1029 HydrophobicContact CB-CB 4.35Å; L977-L1029 HydrophobicContact CD2-CD2 4.48Å; L977-L1029 PolarHBondContact N-O 2.78Å; L977-L1029 PolarHBondContact O-N 2.84Å; I1000-L1029 HydrophobicContact CD1-CD2 3.99Å; I1000-L1029 HydrophobicContact CG2-CD2 4.29Å; Y1027-L1029 HydrophobicContact CE1-CB 4.38Å; Y1027-L1029 HydrophobicContact CE1-CD1 4.5Å; L1029-L1031 HydrophobicContact CD2-CD2 4.35Å |
| 1030 | T | 79.4 | Confident | 76.8 | Confident | 117 Ų | 117 | 72.8 Ų | 72.8 | 72% | 0.718 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 130.5 | 175.1 | -48.3 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1031 | L | 76.1 | Confident | 77.6 | Confident | 24 Ų | 24 | 65.3 Ų | 65.3 | 13% | 0.126 | 35% | 0.353 | C | S | . | . | trans | -111.4 | 156.5 | 178.2 | -61.8 | 177.9 | 0 | 0 | 0 | 110.2 | G975 L977 L1029 Y1040 S1063 | G975-L1031 PolarHBondContact O-N 2.83Å; G975-L1031 VanDerWaalsContact O-O 3.1Å; L977-L1031 HydrophobicContact CB-CD1 3.82Å; L977-L1031 HydrophobicContact CB-CD2 4.48Å; L977-L1031 HydrophobicContact CB-CG 4.12Å; L1029-L1031 HydrophobicContact CD2-CD2 4.35Å; L1031-Y1040 HydrophobicContact CD1-CE2 3.9Å; L1031-Y1040 HydrophobicContact CD2-CE1 4.19Å; L1031-S1063 VanDerWaalsContact CD1-CB 3.46Å | ||
| 1032 | G | 66.9 | Low | 78.5 | Confident | 45 Ų | 45 | 61.6 Ų | 61.6 | 46% | 0.464 | 33% | 0.333 | S | S | . | . | trans | -75.4 | 167.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | N1034 | G1032-N1034 PolarHBondContact O-N 3.09Š| ||
| 1033 | D | 61.1 | Low | 79.4 | Confident | 127 Ų | 127 | 60.6 Ų | 60.6 | 68% | 0.679 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -1.5 | -164 | -66.7 | -32.2 | 0 | 0 | 0 | 117.6 | F1036 | D1033-F1036 WeakPolarHBondContact O-CE2 3.43Å; D1033-F1036 WeakPolarHBondContact O-CZ 3.26Å |
| 1034 | N | 60.3 | Low | 80.2 | Confident | 145 Ų | 145 | 53.6 Ų | 53.6 | 78% | 0.775 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.4 | 21.3 | -172.9 | -72.9 | -24.3 | 0 | 0 | 0 | 114.7 | G1032 | G1032-N1034 PolarHBondContact O-N 3.09Š|
| 1035 | L | 66 | Low | 80.6 | Confident | 52 Ų | 52 | 52.9 Ų | 52.9 | 27% | 0.272 | 28% | 0.281 | S | S | . | . | trans | -128.1 | 52.5 | -170.5 | -61.5 | 169.7 | 0 | 0 | 0 | 113.6 | K1038 S1063 | L1035-K1038 HydrophobicContact CD2-CD 3.83Å; L1035-S1063 WeakPolarHBondContact O-CB 3.46Å; L1035-S1063 PolarHBondContact O-OG 3.06Å | ||
| 1036 | F | 69.8 | Low | 80.8 | Confident | 51 Ų | 51 | 51.4 Ų | 51.4 | 22% | 0.224 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 136.6 | -178.9 | -50.2 | -67.3 | 0 | 0 | 0 | 112.3 | H974 D1033 K1038 | H974-F1036 AromaticContact CD2-CE1 3.45Å; H974-F1036 VanDerWaalsContact CD2-CE1 3.45Å; H974-F1036 WeakPolarHBondContact CD2-CE1 3.49Å; H974-F1036 AromaticContact CD2-CZ 3.96Å; H974-F1036 AromaticContact CE1-CE1 3.52Å; H974-F1036 AromaticContact CE1-CZ 3.52Å; H974-F1036 AromaticContact NE2-CE1 3.11Å; H974-F1036 WeakPolarHBondContact NE2-CE1 3.39Å; H974-F1036 AromaticContact NE2-CZ 3.13Å; H974-F1036 WeakPolarHBondContact NE2-CZ 3.43Å; D1033-F1036 WeakPolarHBondContact O-CE2 3.43Å; D1033-F1036 WeakPolarHBondContact O-CZ 3.26Å; F1036-K1038 VanDerWaalsContact C-N 3.35Å; F1036-K1038 PolarHBondContact O-N 3.43Å |
| 1037 | Y | 73.3 | Confident | 80.8 | Confident | 105 Ų | 105 | 49.3 Ų | 49.3 | 41% | 0.412 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 47.2 | 177.4 | -156.2 | -116.7 | 0 | 0 | 0 | 114.5 | M1062 S1063 A1064 T1065 | Y1037-M1062 HydrophobicContact CD1-CE 3.77Å; Y1037-M1062 HydrophobicContact CD2-CB 4.38Å; Y1037-M1062 HydrophobicContact CD2-CE 4Å; Y1037-M1062 HydrophobicContact CE1-CE 3.83Å; Y1037-M1062 HydrophobicContact CE2-CB 4.4Å; Y1037-M1062 HydrophobicContact CE2-CE 4.06Å; Y1037-M1062 HydrophobicContact CE2-CG 4.45Å; Y1037-M1062 HydrophobicContact CG-CE 3.86Å; Y1037-M1062 WeakPolarHBondContact O-CE 3Å; Y1037-S1063 PolarHBondContact N-OG 3.42Å; Y1037-S1063 VanDerWaalsContact N-OG 3.16Å; Y1037-A1064 PolarHBondContact N-O 3.12Å; Y1037-A1064 VanDerWaalsContact N-O 3.1Å; Y1037-T1065 HydrophobicContact CD2-CG2 3.77Å; Y1037-T1065 HydrophobicContact CE2-CG2 4.14Å |
| 1038 | K | 76.5 | Confident | 80.7 | Confident | 70 Ų | 70 | 47.3 Ų | 47.3 | 30% | 0.304 | 26% | 0.258 | S | S | . | . | trans | -109.7 | 147.4 | 176.5 | -79.6 | -163.5 | 168.8 | -163.4 | 0 | 112.5 | E1004 L1035 F1036 Y1040 M1062 S1063 | E1004-K1038 IonicContact OE1-NZ 3.71Å; E1004-K1038 PolarHBondContact OE1-NZ 3.37Å; E1004-K1038 IonicContact OE2-NZ 3.93Å; L1035-K1038 HydrophobicContact CD2-CD 3.83Å; F1036-K1038 VanDerWaalsContact C-N 3.35Å; F1036-K1038 PolarHBondContact O-N 3.43Å; K1038-Y1040 HydrophobicContact CB-CE2 4.31Å; K1038-Y1040 WeakPolarHBondContact O-CD2 3.22Å; K1038-M1062 CarbonylContact O-C 3.58Å; K1038-M1062 WeakPolarHBondContact O-CA 3.19Å; K1038-S1063 PolarHBondContact N-OG 3.35Å; K1038-S1063 PolarHBondContact O-N 2.68Å; K1038-S1063 PolarHBondContact O-OG 2.97Å | ||
| 1039 | P | 84.7 | Confident | 80.6 | Confident | 48 Ų | 48 | 46.9 Ų | 46.9 | 31% | 0.312 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 135.6 | 179.5 | 30.6 | -33.7 | 0 | 0 | 0 | 113.8 | K1003 T1060 M1062 | K1003-P1039 HydrophobicContact CB-CB 4.27Å; K1003-P1039 HydrophobicContact CB-CG 4.07Å; K1003-P1039 WeakPolarHBondContact CB-O 3.37Å; K1003-P1039 HydrophobicContact CD-CB 4.12Å; K1003-P1039 HydrophobicContact CD-CG 4.12Å; K1003-P1039 PolarHBondContact N-O 3.39Å; P1039-T1060 HydrophobicContact CB-CG2 3.52Å; P1039-M1062 HydrophobicContact CB-SD 3.89Å |
| 1040 | Y | 88.1 | Confident | 80.4 | Confident | 19 Ų | 19 | 50.9 Ų | 50.9 | 8% | 0.075 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 138.6 | 175.1 | -75.3 | -103.1 | 0 | 0 | 0 | 110.8 | L977 I1000 K1001 A1002 L1031 K1038 T1060 V1061 | L977-Y1040 HydrophobicContact CD1-CD2 3.96Å; L977-Y1040 HydrophobicContact CD1-CG 4.17Å; L977-Y1040 HydrophobicContact CD2-CD1 3.87Å; L977-Y1040 HydrophobicContact CD2-CD2 4.17Å; L977-Y1040 HydrophobicContact CD2-CG 3.66Å; I1000-Y1040 HydrophobicContact CG2-CD1 4.27Å; K1001-Y1040 CarbonylContact O-C 3.54Å; K1001-Y1040 VanDerWaalsContact O-CA 3.24Å; K1001-Y1040 WeakPolarHBondContact O-CA 3.45Å; K1001-Y1040 WeakPolarHBondContact O-CB 3.34Å; K1001-Y1040 WeakPolarHBondContact O-CD1 3.47Å; A1002-Y1040 HydrophobicContact CB-CD1 4.06Å; A1002-Y1040 HydrophobicContact CB-CE1 3.71Å; L1031-Y1040 HydrophobicContact CD1-CE2 3.9Å; L1031-Y1040 HydrophobicContact CD2-CE1 4.19Å; K1038-Y1040 HydrophobicContact CB-CE2 4.31Å; K1038-Y1040 WeakPolarHBondContact O-CD2 3.22Å; Y1040-T1060 CarbonylContact O-C 3.46Å; Y1040-T1060 VanDerWaalsContact O-CA 3.23Å; Y1040-T1060 WeakPolarHBondContact O-CA 3.47Å; Y1040-V1061 PolarHBondContact N-O 2.89Å; Y1040-V1061 PolarHBondContact O-N 2.93Å |
| 1041 | D | 90.6 | Very high | 80.5 | Confident | 21 Ų | 21 | 46.6 Ų | 46.6 | 11% | 0.112 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 131.1 | 173 | -64.5 | -29.6 | 0 | 0 | 0 | 110.4 | I1000 K1001 Y1008 T1060 | I1000-D1041 WeakPolarHBondContact CA-O 3.25Å; K1001-D1041 HydrophobicContact CG-CB 4.1Å; K1001-D1041 PolarHBondContact N-O 2.95Å; K1001-D1041 PolarHBondContact O-N 3.15Å; Y1008-D1041 HydrophobicContact CE1-CB 4.11Å; D1041-T1060 WeakPolarHBondContact OD1-CB 3.25Å; D1041-T1060 PolarHBondContact OD1-OG1 3.31Å |
| 1042 | V | 91.7 | Very high | 81 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 133.5 | -176.8 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | V967 F979 H999 I1000 V1044 V1059 V1061 | V967-V1042 HydrophobicContact CG1-CG1 4.38Å; F979-V1042 HydrophobicContact CD1-CG1 4.19Å; F979-V1042 HydrophobicContact CD1-CG2 4.27Å; F979-V1042 HydrophobicContact CD2-CG1 3.69Å; F979-V1042 HydrophobicContact CE1-CG1 4.34Å; F979-V1042 HydrophobicContact CE2-CG1 3.84Å; F979-V1042 HydrophobicContact CG-CG1 3.87Å; F979-V1042 HydrophobicContact CG-CG2 4.43Å; F979-V1042 HydrophobicContact CZ-CG1 4.17Å; H999-V1042 CarbonylContact O-C 3.58Å; H999-V1042 WeakPolarHBondContact O-CA 3.48Å; I1000-V1042 HydrophobicContact CG1-CG1 4.32Å; I1000-V1042 HydrophobicContact CG1-CG2 4.29Å; I1000-V1042 HydrophobicContact CG2-CG2 4.21Å; V1042-V1044 HydrophobicContact CG1-CG2 4.37Å; V1042-V1059 PolarHBondContact N-O 2.87Å; V1042-V1059 PolarHBondContact O-N 2.74Å; V1042-V1061 HydrophobicContact CB-CG2 4.5Å; V1042-V1061 HydrophobicContact CG2-CG2 3.62Å |
| 1043 | M | 92.1 | Very high | 81.9 | Confident | 29 Ų | 29 | 46.1 Ų | 46.1 | 14% | 0.143 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 149.1 | 169.6 | -63.1 | 175.1 | -66.7 | 0 | 0 | 110.6 | A998 H999 Y1008 L1055 S1056 P1058 | A998-M1043 CarbonylContact C-O 3.59Å; A998-M1043 WeakPolarHBondContact CA-O 3.11Å; H999-M1043 HydrophobicContact CB-CB 4.28Å; H999-M1043 HydrophobicContact CB-CE 3.96Å; H999-M1043 PolarHBondContact N-O 3.11Å; H999-M1043 PolarHBondContact O-N 3.42Å; Y1008-M1043 HydrophobicContact CD1-CE 4.05Å; Y1008-M1043 HydrophobicContact CD2-CE 4.06Å; Y1008-M1043 HydrophobicContact CE1-CE 3.7Å; Y1008-M1043 HydrophobicContact CE2-CE 3.7Å; Y1008-M1043 HydrophobicContact CG-CE 4.23Å; M1043-L1055 HydrophobicContact CB-CD2 4.22Å; M1043-S1056 WeakPolarHBondContact CA-OG 3.49Å; M1043-S1056 WeakPolarHBondContact CG-O 3.27Å; M1043-P1058 VanDerWaalsContact CG-CA 3.43Å; M1043-P1058 HydrophobicContact CG-CB 3.77Å; M1043-P1058 HydrophobicContact SD-CB 4.01Å; M1043-P1058 HydrophobicContact SD-CG 4.4Å |
| 1044 | V | 92.3 | Very high | 83.2 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 139.2 | -179.4 | -174.3 | 0 | 0 | 0 | 0 | 110.8 | P964 V967 F979 W981 Y996 R997 A998 V1042 S1056 | P964-V1044 HydrophobicContact CB-CG1 4.37Å; P964-V1044 HydrophobicContact CG-CG1 4.3Å; V967-V1044 HydrophobicContact CG1-CG2 4.09Å; V967-V1044 HydrophobicContact CG2-CB 4.15Å; V967-V1044 HydrophobicContact CG2-CG2 4.12Å; F979-V1044 HydrophobicContact CD2-CG2 4.46Å; F979-V1044 HydrophobicContact CE2-CG2 4.17Å; W981-V1044 HydrophobicContact CD2-CG1 4.14Å; W981-V1044 HydrophobicContact CD2-CG2 4.44Å; W981-V1044 HydrophobicContact CE3-CG2 4.17Å; W981-V1044 HydrophobicContact CG-CG1 4.44Å; W981-V1044 HydrophobicContact CZ2-CG1 4.48Å; Y996-V1044 HydrophobicContact CD1-CG1 4.07Å; Y996-V1044 HydrophobicContact CG-CG1 4.47Å; R997-V1044 CarbonylContact O-C 3.55Å; R997-V1044 WeakPolarHBondContact O-CA 3.46Å; A998-V1044 HydrophobicContact CB-CG2 4.37Å; V1042-V1044 HydrophobicContact CG1-CG2 4.37Å; V1044-S1056 PolarHBondContact N-OG 3.02Å; V1044-S1056 WeakPolarHBondContact O-CB 3.48Å; V1044-S1056 PolarHBondContact O-N 3.02Å; V1044-S1056 PolarHBondContact O-OG 2.92Å |
| 1045 | Q | 92.6 | Very high | 84.5 | Confident | 19 Ų | 19 | 39 Ų | 39 | 9% | 0.089 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 157.8 | 171.7 | 66.7 | 174.3 | 26.1 | 0 | 0 | 111.7 | Y996 R997 V1047 L1055 | Y996-Q1045 CarbonylContact C-O 3.46Å; Y996-Q1045 VanDerWaalsContact CA-O 3.31Å; Y996-Q1045 WeakPolarHBondContact CA-O 3.13Å; R997-Q1045 HydrophobicContact CB-CG 3.87Å; R997-Q1045 HydrophobicContact CG-CG 4.49Å; R997-Q1045 PolarHBondContact N-O 2.78Å; R997-Q1045 PolarHBondContact O-N 3.22Å; Q1045-V1047 HydrophobicContact CG-CG2 4.3Å; Q1045-L1055 HydrophobicContact CB-CD2 3.93Å; Q1045-L1055 HydrophobicContact CB-CG 3.98Å; Q1045-L1055 HydrophobicContact CG-CD2 4.08Å; Q1045-L1055 HydrophobicContact CG-CG 4.35Å; Q1045-L1055 VanDerWaalsContact OE1-CG 3.24Å |
| 1046 | A | 89.7 | Confident | 85.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 143.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | P960 P964 L984 F994 Y996 G1053 | P960-A1046 HydrophobicContact CB-CB 4.49Å; P964-A1046 HydrophobicContact CG-CB 4.35Å; L984-A1046 HydrophobicContact CD1-CB 3.48Å; L984-A1046 VanDerWaalsContact CD1-CB 3.48Å; F994-A1046 HydrophobicContact CE2-CB 3.7Å; F994-A1046 HydrophobicContact CZ-CB 3.89Å; Y996-A1046 HydrophobicContact CD1-CB 4.2Å; Y996-A1046 HydrophobicContact CE1-CB 4.07Å; A1046-G1053 PolarHBondContact O-N 2.95Å |
| 1047 | V | 88.2 | Confident | 86.4 | Confident | 13 Ų | 13 | 42 Ų | 42 | 8% | 0.079 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 137.3 | -173.1 | -173.1 | 0 | 0 | 0 | 0 | 109.7 | F994 H995 R997 Q1045 A1052 | F994-V1047 CarbonylContact C-O 3.6Å; F994-V1047 VanDerWaalsContact CA-O 3.23Å; F994-V1047 WeakPolarHBondContact CA-O 3.22Å; H995-V1047 PolarHBondContact N-O 2.85Å; H995-V1047 PolarHBondContact O-N 3.36Å; R997-V1047 HydrophobicContact CB-CG2 4.38Å; Q1045-V1047 HydrophobicContact CG-CG2 4.3Å; V1047-A1052 HydrophobicContact CG1-CB 4.33Å; V1047-A1052 HydrophobicContact CG2-CB 3.94Å |
| 1048 | N | 86.5 | Confident | 87.1 | Confident | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | -176.9 | 171.2 | 81 | 6.2 | 0 | 0 | 0 | 110.6 | T958 P960 E989 G991 P992 E1050 G1051 | T958-N1048 PolarHBondContact O-ND2 2.96Å; P960-N1048 VanDerWaalsContact CD-CG 3.41Å; P960-N1048 WeakPolarHBondContact CD-ND2 3.43Å; P960-N1048 WeakPolarHBondContact CD-OD1 3.08Å; P960-N1048 HydrophobicContact CG-CB 3.84Å; E989-N1048 PolarHBondContact O-ND2 3.45Å; G991-N1048 WeakPolarHBondContact CA-ND2 3.4Å; G991-N1048 PolarHBondContact N-ND2 2.85Å; P992-N1048 WeakPolarHBondContact O-CB 3.4Å; N1048-E1050 PolarHBondContact O-N 2.94Å; N1048-E1050 WeakPolarHBondContact OD1-CA 3.42Å; N1048-E1050 WeakPolarHBondContact OD1-CB 3.47Å; N1048-E1050 PolarHBondContact OD1-N 2.81Å; N1048-G1051 PolarHBondContact N-O 3.3Å; N1048-G1051 PolarHBondContact O-N 2.96Å; N1048-G1051 VanDerWaalsContact O-N 3.1Å; N1048-G1051 PolarHBondContact OD1-N 2.03Å; N1048-G1051 PolarHBondContact OD1-O 3.39Å |
| 1049 | S | 82.9 | Confident | 87.5 | Confident | 59 Ų | 59 | 38.8 Ų | 38.8 | 41% | 0.413 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -27.1 | 179.9 | -62.3 | 0 | 0 | 0 | 0 | 115 | P992 N993 | P992-S1049 PolarHBondContact O-N 2.95Å; P992-S1049 PolarHBondContact O-OG 3.3Å; P992-S1049 VanDerWaalsContact O-OG 3.04Å; N993-S1049 WeakPolarHBondContact CB-OG 3.16Å; N993-S1049 PolarHBondContact ND2-OG 2.81Å; N993-S1049 VanDerWaalsContact ND2-OG 3.09Å |
| 1050 | E | 79.1 | Confident | 87.6 | Confident | 117 Ų | 117 | 39.7 Ų | 39.7 | 55% | 0.547 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -14.8 | -179.1 | -59.1 | -58.1 | 134.6 | 0 | 0 | 112.3 | K959 N1048 | K959-E1050 HydrophobicContact CB-CB 4.06Å; N1048-E1050 PolarHBondContact O-N 2.94Å; N1048-E1050 WeakPolarHBondContact OD1-CA 3.42Å; N1048-E1050 WeakPolarHBondContact OD1-CB 3.47Å; N1048-E1050 PolarHBondContact OD1-N 2.81Å |
| 1051 | G | 82.4 | Confident | 87.4 | Confident | 27 Ų | 27 | 39 Ų | 39 | 28% | 0.278 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 145.1 | 179.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | P960 N1048 | P960-G1051 WeakPolarHBondContact CD-O 3.27Å; N1048-G1051 PolarHBondContact N-O 3.3Å; N1048-G1051 PolarHBondContact O-N 2.96Å; N1048-G1051 VanDerWaalsContact O-N 3.1Å; N1048-G1051 PolarHBondContact OD1-N 2.03Å; N1048-G1051 PolarHBondContact OD1-O 3.39Å |
| 1052 | A | 85.4 | Confident | 86.9 | Confident | 50 Ų | 50 | 40.8 Ų | 40.8 | 41% | 0.413 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 138.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1047 | V1047-A1052 HydrophobicContact CG1-CB 4.33Å; V1047-A1052 HydrophobicContact CG2-CB 3.94Å |
| 1053 | G | 86.7 | Confident | 86.4 | Confident | 9 Ų | 9 | 40.9 Ų | 40.9 | 9% | 0.093 | 24% | 0.239 | C | C | . | . | trans | -80.8 | -178 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P960 A1046 | P960-G1053 VanDerWaalsContact O-CA 3.27Å; P960-G1053 WeakPolarHBondContact O-CA 3.47Å; A1046-G1053 PolarHBondContact O-N 2.95Å | ||
| 1054 | P | 88.2 | Confident | 85.4 | Confident | 53 Ų | 53 | 39.6 Ų | 39.6 | 34% | 0.344 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -70 | 147.2 | -177.5 | 28.5 | -35.7 | 0 | 0 | 0 | 113.9 | I963 | I963-P1054 HydrophobicContact CB-CG 4.41Å; I963-P1054 HydrophobicContact CD1-CB 4.39Å; I963-P1054 HydrophobicContact CD1-CG 4.4Å; I963-P1054 HydrophobicContact CG1-CB 3.71Å; I963-P1054 HydrophobicContact CG1-CG 3.39Å |
| 1055 | L | 88.3 | Confident | 84.5 | Confident | 71 Ų | 71 | 39.8 Ų | 39.8 | 37% | 0.372 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -74.4 | 146.8 | 175.2 | -83.3 | 147.6 | 0 | 0 | 0 | 112.4 | M1043 Q1045 | M1043-L1055 HydrophobicContact CB-CD2 4.22Å; Q1045-L1055 HydrophobicContact CB-CD2 3.93Å; Q1045-L1055 HydrophobicContact CB-CG 3.98Å; Q1045-L1055 HydrophobicContact CG-CD2 4.08Å; Q1045-L1055 HydrophobicContact CG-CG 4.35Å; Q1045-L1055 VanDerWaalsContact OE1-CG 3.24Å |
| 1056 | S | 90.9 | Very high | 83.6 | Confident | 8 Ų | 8 | 44.5 Ų | 44.5 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 159.5 | 168.3 | 77.9 | 0 | 0 | 0 | 0 | 112 | M1043 V1044 | M1043-S1056 WeakPolarHBondContact CA-OG 3.49Å; M1043-S1056 WeakPolarHBondContact CG-O 3.27Å; V1044-S1056 PolarHBondContact N-OG 3.02Å; V1044-S1056 WeakPolarHBondContact O-CB 3.48Å; V1044-S1056 PolarHBondContact O-N 3.02Å; V1044-S1056 PolarHBondContact O-OG 2.92Å |
| 1057 | E | 84.9 | Confident | 83 | Confident | 157 Ų | 157 | 46.9 Ų | 46.9 | 73% | 0.734 | 27% | 0.265 | S | S | * | . | P | Polyproline II helix | trans | -62 | 149.6 | 165.9 | -63.7 | -58.4 | 138.5 | 0 | 0 | 111.1 | ||
| 1058 | P | 87 | Confident | 82.7 | Confident | 63 Ų | 63 | 46.6 Ų | 46.6 | 41% | 0.409 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 130.7 | 179.6 | 27.1 | -33.3 | 0 | 0 | 0 | 111.8 | M1043 | M1043-P1058 VanDerWaalsContact CG-CA 3.43Å; M1043-P1058 HydrophobicContact CG-CB 3.77Å; M1043-P1058 HydrophobicContact SD-CB 4.01Å; M1043-P1058 HydrophobicContact SD-CG 4.4Å |
| 1059 | V | 85.7 | Confident | 82.5 | Confident | 45 Ų | 45 | 49.2 Ų | 49.2 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 125 | 178.8 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | V967 V1042 V1061 | V967-V1059 HydrophobicContact CB-CG2 4.13Å; V967-V1059 HydrophobicContact CG1-CB 4.38Å; V967-V1059 HydrophobicContact CG1-CG2 4.37Å; V967-V1059 WeakPolarHBondContact O-CG1 3.39Å; V967-V1059 WeakPolarHBondContact O-CG2 3.3Å; V1042-V1059 PolarHBondContact N-O 2.87Å; V1042-V1059 PolarHBondContact O-N 2.74Å; V1059-V1061 HydrophobicContact CG1-CG1 4.25Å |
| 1060 | T | 86.2 | Confident | 82.6 | Confident | 66 Ų | 66 | 49.6 Ų | 49.6 | 41% | 0.405 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 123.7 | 176.3 | -50.5 | 0 | 0 | 0 | 0 | 110.9 | K1003 P1039 Y1040 D1041 | K1003-T1060 HydrophobicContact CD-CG2 4.29Å; P1039-T1060 HydrophobicContact CB-CG2 3.52Å; Y1040-T1060 CarbonylContact O-C 3.46Å; Y1040-T1060 VanDerWaalsContact O-CA 3.23Å; Y1040-T1060 WeakPolarHBondContact O-CA 3.47Å; D1041-T1060 WeakPolarHBondContact OD1-CB 3.25Å; D1041-T1060 PolarHBondContact OD1-OG1 3.31Å |
| 1061 | V | 84.8 | Confident | 83 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.024 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 147.1 | 179.8 | -67 | 0 | 0 | 0 | 0 | 110.8 | G969 L977 Y1040 V1042 V1059 | G969-V1061 VanDerWaalsContact CA-CG1 3.42Å; G969-V1061 VanDerWaalsContact N-CG1 3.3Å; L977-V1061 HydrophobicContact CD1-CG2 3.97Å; Y1040-V1061 PolarHBondContact N-O 2.89Å; Y1040-V1061 PolarHBondContact O-N 2.93Å; V1042-V1061 HydrophobicContact CB-CG2 4.5Å; V1042-V1061 HydrophobicContact CG2-CG2 3.62Å; V1059-V1061 HydrophobicContact CG1-CG1 4.25Å |
| 1062 | M | 80.2 | Confident | 83.4 | Confident | 60 Ų | 60 | 44.6 Ų | 44.6 | 30% | 0.296 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 139.9 | -177.4 | -60.4 | -63.5 | -78.8 | 0 | 0 | 111.6 | G970 Y1037 K1038 P1039 | G970-M1062 WeakPolarHBondContact CA-O 3.41Å; Y1037-M1062 HydrophobicContact CD1-CE 3.77Å; Y1037-M1062 HydrophobicContact CD2-CB 4.38Å; Y1037-M1062 HydrophobicContact CD2-CE 4Å; Y1037-M1062 HydrophobicContact CE1-CE 3.83Å; Y1037-M1062 HydrophobicContact CE2-CB 4.4Å; Y1037-M1062 HydrophobicContact CE2-CE 4.06Å; Y1037-M1062 HydrophobicContact CE2-CG 4.45Å; Y1037-M1062 HydrophobicContact CG-CE 3.86Å; Y1037-M1062 WeakPolarHBondContact O-CE 3Å; K1038-M1062 CarbonylContact O-C 3.58Å; K1038-M1062 WeakPolarHBondContact O-CA 3.19Å; P1039-M1062 HydrophobicContact CB-SD 3.89Å |
| 1063 | S | 80.6 | Confident | 83.6 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 161.6 | 166 | 61.3 | 0 | 0 | 0 | 0 | 111.9 | L1031 L1035 Y1037 K1038 | L1031-S1063 VanDerWaalsContact CD1-CB 3.46Å; L1035-S1063 WeakPolarHBondContact O-CB 3.46Å; L1035-S1063 PolarHBondContact O-OG 3.06Å; Y1037-S1063 PolarHBondContact N-OG 3.42Å; Y1037-S1063 VanDerWaalsContact N-OG 3.16Å; K1038-S1063 PolarHBondContact N-OG 3.35Å; K1038-S1063 PolarHBondContact O-N 2.68Å; K1038-S1063 PolarHBondContact O-OG 2.97Å |
| 1064 | A | 71 | Confident | 83.7 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -54.4 | 148.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | G972 K973 T976 Y1037 | G972-A1064 WeakPolarHBondContact O-CB 3.36Å; K973-A1064 WeakPolarHBondContact O-CB 3.29Å; T976-A1064 WeakPolarHBondContact O-CB 3.49Å; T976-A1064 PolarHBondContact O-N 2.86Å; Y1037-A1064 PolarHBondContact N-O 3.12Å; Y1037-A1064 VanDerWaalsContact N-O 3.1Å |
| 1065 | T | 73.6 | Confident | 83.9 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 167.4 | 178 | 61.6 | 0 | 0 | 0 | 0 | 111.7 | Y1037 E1098 S1160 A1161 | Y1037-T1065 HydrophobicContact CD2-CG2 3.77Å; Y1037-T1065 HydrophobicContact CE2-CG2 4.14Å; T1065-E1098 WeakPolarHBondContact CB-O 3.36Å; T1065-S1160 PolarHBondContact OG1-OG 2.84Å; T1065-A1161 WeakPolarHBondContact O-CB 3.06Å |
| 1066 | R | 74.1 | Confident | 84.1 | Confident | 117 Ų | 117 | 44.8 Ų | 44.8 | 44% | 0.442 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -86.4 | 148.9 | 169.9 | -170.4 | 177.6 | 178.3 | -167.7 | -1.3 | 111 | G1097 N1159 | R1066-G1097 WeakPolarHBondContact CB-O 3.43Å; R1066-G1097 PolarHBondContact N-O 3.47Å; R1066-N1159 PolarHBondContact O-ND2 3.21Å |
| 1067 | V | 77.3 | Confident | 84.2 | Confident | 50 Ų | 50 | 45.2 Ų | 45.2 | 30% | 0.303 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 136.7 | 173.2 | -178.6 | 0 | 0 | 0 | 0 | 109.6 | T1069 A1161 D1163 | V1067-T1069 PolarHBondContact O-N 2.85Å; V1067-A1161 HydrophobicContact CB-CB 4.5Å; V1067-A1161 HydrophobicContact CG2-CB 3.85Å; V1067-D1163 WeakPolarHBondContact CG1-O 3.41Å |
| 1068 | P | 81.5 | Confident | 84.4 | Confident | 7 Ų | 7 | 38.6 Ų | 38.6 | 5% | 0.045 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -60.6 | 135.1 | -179.9 | -19.7 | 32.8 | 0 | 0 | 0 | 111.1 | I1157 N1159 G1164 P1165 | P1068-I1157 HydrophobicContact CB-CG2 3.76Å; P1068-I1157 HydrophobicContact CG-CG2 4.28Å; P1068-N1159 WeakPolarHBondContact CD-OD1 3.23Å; P1068-N1159 HydrophobicContact CG-CB 4.14Å; P1068-G1164 WeakPolarHBondContact O-CA 3.42Å; P1068-P1165 WeakPolarHBondContact O-CD 3.19Å |
| 1069 | T | 81.6 | Confident | 84.3 | Confident | 63 Ų | 63 | 36.7 Ų | 36.7 | 39% | 0.387 | 23% | 0.227 | S | C | . | . | trans | -102.6 | -13.1 | -175.3 | 57.1 | 0 | 0 | 0 | 0 | 113.7 | V1067 S1095 E1098 P1165 | V1067-T1069 PolarHBondContact O-N 2.85Å; T1069-S1095 PolarHBondContact OG1-OG 2.84Å; T1069-E1098 WeakPolarHBondContact CB-OE1 3.46Å; T1069-E1098 PolarHBondContact N-OE1 3.34Å; T1069-E1098 PolarHBondContact OG1-OE1 2.87Å; T1069-P1165 VanDerWaalsContact O-CG 3.31Å; T1069-P1165 WeakPolarHBondContact O-CG 3.43Å | ||
| 1070 | N | 84.7 | Confident | 84.3 | Confident | 67 Ų | 67 | 39.1 Ų | 39.1 | 36% | 0.358 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -106.9 | 136.3 | -179.7 | -67.6 | -34.8 | 0 | 0 | 0 | 111.1 | P1092 L1093 S1095 I1157 | N1070-P1092 HydrophobicContact CB-CB 3.75Å; N1070-L1093 PolarHBondContact ND2-O 2.82Å; N1070-S1095 PolarHBondContact ND2-OG 3.26Å; N1070-I1157 WeakPolarHBondContact O-CG2 3.43Å |
| 1071 | A | 88 | Confident | 84.2 | Confident | 35 Ų | 35 | 38 Ų | 38 | 29% | 0.289 | 23% | 0.226 | S | C | . | . | trans | -85.3 | 148.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P1165 E1166 | A1071-P1165 HydrophobicContact CB-CB 4.2Å; A1071-P1165 HydrophobicContact CB-CG 3.96Å; A1071-P1165 WeakPolarHBondContact CB-O 3.37Å; A1071-E1166 WeakPolarHBondContact CB-O 3.15Å | ||
| 1072 | P | 91.1 | Very high | 84.3 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | trans | -55.9 | 146.1 | 167.7 | -21.8 | 33.3 | 0 | 0 | 0 | 111.8 | Y1104 V1155 I1157 S1167 | P1072-Y1104 HydrophobicContact CB-CE1 4.48Å; P1072-Y1104 HydrophobicContact CG-CD1 3.94Å; P1072-Y1104 HydrophobicContact CG-CE1 3.96Å; P1072-V1155 HydrophobicContact CG-CG1 4.28Å; P1072-I1157 HydrophobicContact CG-CB 4.08Å; P1072-S1167 VanDerWaalsContact O-CB 3.24Å; P1072-S1167 WeakPolarHBondContact O-CB 3.31Å | ||
| 1073 | S | 90.3 | Very high | 84.7 | Confident | 62 Ų | 62 | 38.5 Ų | 38.5 | 43% | 0.434 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 162.5 | -176.5 | 66.4 | 0 | 0 | 0 | 0 | 112.1 | V1075 Y1090 | S1073-V1075 PolarHBondContact O-N 2.93Å; S1073-Y1090 PolarHBondContact N-O 3.16Å; S1073-Y1090 WeakPolarHBondContact O-CA 3.42Å; S1073-Y1090 WeakPolarHBondContact O-CB 3.47Å; S1073-Y1090 PolarHBondContact O-N 3.34Å |
| 1074 | G | 88.8 | Confident | 85.2 | Confident | 38 Ų | 38 | 38.4 Ų | 38.4 | 39% | 0.392 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 64.5 | 35.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115 | T1076 | G1074-T1076 PolarHBondContact O-N 2.83Å |
| 1075 | V | 91.8 | Very high | 86.3 | Confident | 12 Ų | 12 | 38.4 Ų | 38.4 | 7% | 0.073 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 121.1 | 178.9 | -173.5 | 0 | 0 | 0 | 0 | 110.5 | S1073 V1087 W1088 W1089 V1155 S1167 T1170 | S1073-V1075 PolarHBondContact O-N 2.93Å; V1075-V1087 HydrophobicContact CG1-CG1 3.94Å; V1075-W1088 CarbonylContact C-O 3.58Å; V1075-W1088 VanDerWaalsContact CA-O 3.28Å; V1075-W1088 WeakPolarHBondContact CA-O 3.38Å; V1075-W1089 HydrophobicContact CG2-CB 3.89Å; V1075-V1155 HydrophobicContact CG1-CG2 3.74Å; V1075-V1155 HydrophobicContact CG2-CB 4.17Å; V1075-V1155 HydrophobicContact CG2-CG2 4.15Å; V1075-S1167 VanDerWaalsContact CG2-CB 3.42Å; V1075-S1167 VanDerWaalsContact CG2-OG 3.27Å; V1075-S1167 WeakPolarHBondContact CG2-OG 3.34Å; V1075-T1170 HydrophobicContact CG1-CG2 3.82Å |
| 1076 | T | 92.2 | Very high | 87.2 | Confident | 74 Ų | 74 | 42 Ų | 42 | 45% | 0.454 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 150.2 | 178.9 | 53.2 | 0 | 0 | 0 | 0 | 109.8 | G1074 V1087 W1088 | G1074-T1076 PolarHBondContact O-N 2.83Å; T1076-V1087 CarbonylContact O-C 3.46Å; T1076-V1087 WeakPolarHBondContact O-CA 3.47Å; T1076-W1088 PolarHBondContact N-O 2.9Å; T1076-W1088 PolarHBondContact O-N 2.88Å |
| 1077 | A | 92.4 | Very high | 88.2 | Confident | 18 Ų | 18 | 36.4 Ų | 36.4 | 15% | 0.149 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 157.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I1085 R1086 V1087 I1153 T1170 Q1172 | A1077-I1085 HydrophobicContact CB-CG2 3.96Å; A1077-R1086 CarbonylContact C-O 3.51Å; A1077-R1086 VanDerWaalsContact CA-O 3.24Å; A1077-R1086 WeakPolarHBondContact CA-O 3.47Å; A1077-V1087 HydrophobicContact CB-CG2 4.26Å; A1077-I1153 HydrophobicContact CB-CD1 3.75Å; A1077-T1170 HydrophobicContact CB-CG2 3.9Å; A1077-Q1172 HydrophobicContact CB-CB 3.68Å; A1077-Q1172 HydrophobicContact CB-CG 4.15Å; A1077-Q1172 PolarHBondContact O-OE1 3.12Å |
| 1078 | G | 89.4 | Confident | 89 | Confident | 17 Ų | 17 | 38.6 Ų | 38.6 | 18% | 0.175 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 136.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F1080 R1086 | G1078-F1080 PolarHBondContact O-N 2.91Å; G1078-R1086 PolarHBondContact N-O 2.88Å; G1078-R1086 PolarHBondContact O-N 2.88Å |
| 1079 | A | 86.4 | Confident | 89.6 | Confident | 24 Ų | 24 | 38.5 Ų | 38.5 | 20% | 0.198 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 133 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | T1173 F1175 | A1079-T1173 VanDerWaalsContact CB-O 3.27Å; A1079-T1173 WeakPolarHBondContact CB-O 3.37Å; A1079-F1175 HydrophobicContact CB-CD1 4.17Å; A1079-F1175 HydrophobicContact CB-CD2 3.57Å; A1079-F1175 HydrophobicContact CB-CE1 3.97Å; A1079-F1175 HydrophobicContact CB-CE2 3.39Å; A1079-F1175 HydrophobicContact CB-CG 3.98Å; A1079-F1175 HydrophobicContact CB-CZ 3.59Å; A1079-F1175 VanDerWaalsContact O-CE2 3.26Å; A1079-F1175 WeakPolarHBondContact O-CE2 3.42Å |
| 1080 | F | 84.8 | Confident | 90.1 | Very high | 96 Ų | 96 | 43.1 Ų | 43.1 | 42% | 0.421 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | -44.4 | 178.1 | -174.7 | -102.6 | 0 | 0 | 0 | 112.2 | G1078 S1084 L1141 | G1078-F1080 PolarHBondContact O-N 2.91Å; F1080-S1084 VanDerWaalsContact CD1-OG 3.32Å; F1080-S1084 WeakPolarHBondContact CD1-OG 3.47Å; F1080-S1084 PolarHBondContact N-O 2.75Å; F1080-L1141 HydrophobicContact CB-CD1 3.75Å; F1080-L1141 HydrophobicContact CD1-CD1 3.87Å; F1080-L1141 HydrophobicContact CD1-CD2 4.34Å; F1080-L1141 HydrophobicContact CD2-CD1 4.23Å; F1080-L1141 HydrophobicContact CE1-CD2 4.34Å; F1080-L1141 HydrophobicContact CG-CD1 3.67Å |
| 1081 | N | 84.8 | Confident | 90.1 | Very high | 43 Ų | 43 | 42.9 Ų | 42.9 | 23% | 0.23 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | -166.9 | 168.4 | 66.4 | 29.9 | 0 | 0 | 0 | 109.8 | S1083 S1084 F1175 R1262 | N1081-S1083 PolarHBondContact O-N 3.11Å; N1081-S1083 VanDerWaalsContact O-N 3.1Å; N1081-S1083 WeakPolarHBondContact OD1-CA 3.43Å; N1081-S1083 PolarHBondContact OD1-N 2.85Å; N1081-S1083 PolarHBondContact OD1-OG 2.67Å; N1081-S1083 VanDerWaalsContact OD1-OG 3.12Å; N1081-S1084 PolarHBondContact N-O 3.04Å; N1081-S1084 PolarHBondContact N-OG 3.13Å; N1081-S1084 PolarHBondContact ND2-OG 3.35Å; N1081-S1084 VanDerWaalsContact ND2-OG 3.16Å; N1081-S1084 PolarHBondContact OD1-N 2.89Å; N1081-S1084 PolarHBondContact OD1-OG 3.34Å; N1081-F1175 PolarHBondContact O-N 2.83Å; N1081-R1262 WeakPolarHBondContact CA-O 3.35Å |
| 1082 | C | 86.5 | Confident | 90 | Very high | 31 Ų | 31 | 42.4 Ų | 42.4 | 21% | 0.209 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -5.9 | 179.2 | 69.4 | 0 | 0 | 0 | 0 | 115.3 | A1147 F1175 K1176 G1263 | C1082-A1147 HydrophobicContact CB-CB 4.1Å; C1082-A1147 WeakPolarHBondContact O-CA 3.24Å; C1082-A1147 WeakPolarHBondContact O-CB 3.35Å; C1082-A1147 PolarHBondContact O-N 3.18Å; C1082-F1175 WeakPolarHBondContact CA-O 3.46Å; C1082-K1176 WeakPolarHBondContact CB-O 3.31Å; C1082-G1263 WeakPolarHBondContact CB-O 3.28Å; C1082-G1263 PolarHBondContact N-O 2.7Å; C1082-G1263 VanDerWaalsContact N-O 3.09Å; C1082-G1263 PolarHBondContact SG-O 3.25Å |
| 1083 | S | 89.1 | Confident | 89.4 | Confident | 42 Ų | 42 | 49.2 Ų | 49.2 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.9 | 18.3 | -176.2 | 61.7 | 0 | 0 | 0 | 0 | 113.1 | N1081 I1143 G1144 L1145 | N1081-S1083 PolarHBondContact O-N 3.11Å; N1081-S1083 VanDerWaalsContact O-N 3.1Å; N1081-S1083 WeakPolarHBondContact OD1-CA 3.43Å; N1081-S1083 PolarHBondContact OD1-N 2.85Å; N1081-S1083 PolarHBondContact OD1-OG 2.67Å; N1081-S1083 VanDerWaalsContact OD1-OG 3.12Å; S1083-I1143 CarbonylContact O-C 3.59Å; S1083-G1144 PolarHBondContact O-N 2.99Å; S1083-L1145 VanDerWaalsContact CA-O 3.25Å; S1083-L1145 WeakPolarHBondContact CA-O 3.32Å; S1083-L1145 WeakPolarHBondContact CB-O 3.47Å; S1083-L1145 PolarHBondContact O-N 3.28Å |
| 1084 | S | 90.4 | Very high | 88.5 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 149.5 | -177.7 | 57.2 | 0 | 0 | 0 | 0 | 114 | F1080 N1081 I1142 | F1080-S1084 VanDerWaalsContact CD1-OG 3.32Å; F1080-S1084 WeakPolarHBondContact CD1-OG 3.47Å; F1080-S1084 PolarHBondContact N-O 2.75Å; N1081-S1084 PolarHBondContact N-O 3.04Å; N1081-S1084 PolarHBondContact N-OG 3.13Å; N1081-S1084 PolarHBondContact ND2-OG 3.35Å; N1081-S1084 VanDerWaalsContact ND2-OG 3.16Å; N1081-S1084 PolarHBondContact OD1-N 2.89Å; N1081-S1084 PolarHBondContact OD1-OG 3.34Å; S1084-I1142 CarbonylContact C-O 3.5Å; S1084-I1142 WeakPolarHBondContact CA-O 3.3Å; S1084-I1142 WeakPolarHBondContact CB-O 3.49Å |
| 1085 | I | 92.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 135.3 | -178.7 | -67.4 | 170.5 | 0 | 0 | 0 | 109 | A1077 V1087 I1142 L1145 Y1151 I1153 Q1172 T1174 | A1077-I1085 HydrophobicContact CB-CG2 3.96Å; I1085-V1087 HydrophobicContact CG2-CG2 4.23Å; I1085-I1142 PolarHBondContact N-O 3.09Å; I1085-I1142 PolarHBondContact O-N 2.97Å; I1085-L1145 HydrophobicContact CB-CD1 4.12Å; I1085-L1145 HydrophobicContact CD1-CD1 3.71Å; I1085-L1145 HydrophobicContact CG1-CD1 3.77Å; I1085-Y1151 HydrophobicContact CD1-CD2 3.96Å; I1085-Y1151 HydrophobicContact CD1-CG 4.24Å; I1085-I1153 HydrophobicContact CD1-CD1 4.4Å; I1085-I1153 HydrophobicContact CG2-CD1 3.69Å; I1085-Q1172 HydrophobicContact CD1-CB 4.17Å; I1085-Q1172 HydrophobicContact CD1-CG 4.14Å; I1085-Q1172 HydrophobicContact CG1-CG 4.2Å; I1085-Q1172 HydrophobicContact CG2-CB 4.12Å; I1085-Q1172 HydrophobicContact CG2-CG 3.84Å; I1085-T1174 HydrophobicContact CD1-CG2 3.99Å; I1085-T1174 HydrophobicContact CG1-CG2 3.99Å |
| 1086 | R | 93.6 | Very high | 86.9 | Confident | 81 Ų | 81 | 60.1 Ų | 60.1 | 31% | 0.306 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 141.1 | 172.8 | -168.2 | 179.7 | -73.1 | -161.7 | 4.2 | 110.1 | A1077 G1078 W1088 E1139 G1140 L1141 | A1077-R1086 CarbonylContact C-O 3.51Å; A1077-R1086 VanDerWaalsContact CA-O 3.24Å; A1077-R1086 WeakPolarHBondContact CA-O 3.47Å; G1078-R1086 PolarHBondContact N-O 2.88Å; G1078-R1086 PolarHBondContact O-N 2.88Å; R1086-W1088 HydrophobicContact CB-CH2 3.98Å; R1086-W1088 HydrophobicContact CB-CZ2 4.21Å; R1086-W1088 HydrophobicContact CB-CZ3 4.42Å; R1086-W1088 HydrophobicContact CG-CH2 3.95Å; R1086-W1088 HydrophobicContact CG-CZ2 3.66Å; R1086-E1139 IonicContact NH1-OE2 3.43Å; R1086-G1140 CarbonylContact C-O 3.6Å; R1086-G1140 WeakPolarHBondContact CA-O 3.48Å; R1086-L1141 HydrophobicContact CB-CD1 4.06Å |
| 1087 | V | 94.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 140.4 | -172.8 | -170.2 | 0 | 0 | 0 | 0 | 109.7 | V1075 T1076 A1077 I1085 W1089 I1106 E1139 G1140 I1142 I1153 V1155 | V1075-V1087 HydrophobicContact CG1-CG1 3.94Å; T1076-V1087 CarbonylContact O-C 3.46Å; T1076-V1087 WeakPolarHBondContact O-CA 3.47Å; A1077-V1087 HydrophobicContact CB-CG2 4.26Å; I1085-V1087 HydrophobicContact CG2-CG2 4.23Å; V1087-W1089 HydrophobicContact CB-CZ3 4.34Å; V1087-W1089 HydrophobicContact CG1-CE3 4.17Å; V1087-W1089 HydrophobicContact CG1-CZ3 4.29Å; V1087-I1106 HydrophobicContact CG2-CG2 4.27Å; V1087-E1139 CarbonylContact O-C 3.45Å; V1087-E1139 WeakPolarHBondContact O-CA 3.36Å; V1087-G1140 PolarHBondContact N-O 2.84Å; V1087-G1140 PolarHBondContact O-N 2.91Å; V1087-I1142 HydrophobicContact CG2-CD1 3.85Å; V1087-I1142 HydrophobicContact CG2-CG1 4.34Å; V1087-I1153 HydrophobicContact CG1-CG2 3.94Å; V1087-I1153 HydrophobicContact CG2-CD1 4.03Å; V1087-I1153 HydrophobicContact CG2-CG2 3.96Å; V1087-V1155 HydrophobicContact CG1-CG2 4.18Å |
| 1088 | W | 94.9 | Very high | 84.7 | Confident | 95 Ų | 95 | 57.6 Ų | 57.6 | 36% | 0.36 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 149.6 | 179.1 | -59.1 | -88.6 | 0 | 0 | 0 | 111.7 | V1075 T1076 R1086 T1138 E1139 | V1075-W1088 CarbonylContact C-O 3.58Å; V1075-W1088 VanDerWaalsContact CA-O 3.28Å; V1075-W1088 WeakPolarHBondContact CA-O 3.38Å; T1076-W1088 PolarHBondContact N-O 2.9Å; T1076-W1088 PolarHBondContact O-N 2.88Å; R1086-W1088 HydrophobicContact CB-CH2 3.98Å; R1086-W1088 HydrophobicContact CB-CZ2 4.21Å; R1086-W1088 HydrophobicContact CB-CZ3 4.42Å; R1086-W1088 HydrophobicContact CG-CH2 3.95Å; R1086-W1088 HydrophobicContact CG-CZ2 3.66Å; W1088-T1138 VanDerWaalsContact CA-O 3.27Å; W1088-T1138 WeakPolarHBondContact CA-O 3.44Å; W1088-E1139 VanDerWaalsContact CD1-CB 3.44Å; W1088-E1139 HydrophobicContact CG-CB 4.28Å; W1088-E1139 PolarHBondContact NE1-OE2 2.8Å |
| 1089 | W | 94.4 | Very high | 83.8 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 2% | 0.019 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 164 | 178.8 | 59.4 | 87.9 | 0 | 0 | 0 | 113.4 | V1075 V1087 Y1104 I1106 V1137 T1138 E1139 V1155 | V1075-W1089 HydrophobicContact CG2-CB 3.89Å; V1087-W1089 HydrophobicContact CB-CZ3 4.34Å; V1087-W1089 HydrophobicContact CG1-CE3 4.17Å; V1087-W1089 HydrophobicContact CG1-CZ3 4.29Å; W1089-Y1104 AromaticContact CD1-CE1 3.92Å; W1089-Y1104 AromaticContact CE2-CD2 3.92Å; W1089-Y1104 AromaticContact CE2-CG 3.74Å; W1089-Y1104 AromaticContact CZ2-CD2 3.82Å; W1089-Y1104 HydrophobicContact CZ2-CD2 3.82Å; W1089-Y1104 AromaticContact CZ2-CG 3.77Å; W1089-Y1104 HydrophobicContact CZ2-CG 3.77Å; W1089-Y1104 AromaticContact NE1-CD1 3.41Å; W1089-Y1104 AromaticContact NE1-CD2 3.45Å; W1089-Y1104 AromaticContact NE1-CE1 3.55Å; W1089-Y1104 AromaticContact NE1-CE2 3.58Å; W1089-Y1104 AromaticContact NE1-CG 3.36Å; W1089-Y1104 AromaticContact NE1-CZ 3.63Å; W1089-I1106 HydrophobicContact CH2-CD1 3.97Å; W1089-I1106 HydrophobicContact CH2-CG1 4.17Å; W1089-I1106 HydrophobicContact CZ3-CD1 3.88Å; W1089-I1106 HydrophobicContact CZ3-CG1 4.11Å; W1089-V1137 HydrophobicContact CZ2-CG2 3.99Å; W1089-V1137 PolarHBondContact NE1-O 3.49Å; W1089-V1137 VanDerWaalsContact NE1-O 3.15Å; W1089-T1138 PolarHBondContact N-O 2.82Å; W1089-T1138 WeakPolarHBondContact O-CB 3.37Å; W1089-E1139 VanDerWaalsContact CH2-C 3.45Å; W1089-V1155 HydrophobicContact CD2-CB 4.46Å; W1089-V1155 HydrophobicContact CD2-CG1 3.82Å; W1089-V1155 HydrophobicContact CD2-CG2 4.14Å; W1089-V1155 HydrophobicContact CE3-CG1 4.14Å; W1089-V1155 HydrophobicContact CE3-CG2 3.73Å; W1089-V1155 HydrophobicContact CG-CG1 4.1Å; W1089-V1155 HydrophobicContact CZ2-CG1 4.43Å; W1089-V1155 HydrophobicContact CZ3-CG2 4.25Å |
| 1090 | Y | 90.4 | Very high | 83.2 | Confident | 160 Ų | 160 | 60.6 Ų | 60.6 | 63% | 0.627 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 131.8 | 171.6 | -58.7 | -59.1 | 0 | 0 | 0 | 111.7 | S1073 | S1073-Y1090 PolarHBondContact N-O 3.16Å; S1073-Y1090 WeakPolarHBondContact O-CA 3.42Å; S1073-Y1090 WeakPolarHBondContact O-CB 3.47Å; S1073-Y1090 PolarHBondContact O-N 3.34Å |
| 1091 | P | 86 | Confident | 82.9 | Confident | 63 Ų | 63 | 58.5 Ų | 58.5 | 41% | 0.409 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -59 | 142.6 | 173.9 | -24.5 | 34.7 | 0 | 0 | 0 | 112.9 | Y1104 T1138 | P1091-Y1104 VanDerWaalsContact CB-OH 3.3Å; P1091-Y1104 WeakPolarHBondContact CB-OH 3.47Å; P1091-T1138 HydrophobicContact CG-CG2 4.13Å |
| 1092 | P | 85 | Confident | 82.7 | Confident | 25 Ų | 25 | 63.2 Ų | 63.2 | 16% | 0.162 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 158.7 | 173.4 | 29.9 | -32.5 | 0 | 0 | 0 | 112.8 | N1070 I1157 | N1070-P1092 HydrophobicContact CB-CB 3.75Å; P1092-I1157 HydrophobicContact CG-CB 4.49Å; P1092-I1157 HydrophobicContact CG-CD1 3.47Å; P1092-I1157 VanDerWaalsContact CG-CD1 3.47Å; P1092-I1157 HydrophobicContact CG-CG2 4.36Å |
| 1093 | L | 78.7 | Confident | 82.9 | Confident | 147 Ų | 147 | 61.7 Ų | 61.7 | 77% | 0.77 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -74.8 | 129.9 | 170.1 | -70.2 | 168.8 | 0 | 0 | 0 | 110.1 | N1070 | N1070-L1093 PolarHBondContact ND2-O 2.82Š|
| 1094 | P | 72.4 | Confident | 83 | Confident | 105 Ų | 105 | 59.8 Ų | 59.8 | 68% | 0.682 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 138.2 | -178 | 26 | -31.3 | 0 | 0 | 0 | 112.6 | ||
| 1095 | S | 74.8 | Confident | 83.1 | Confident | 43 Ų | 43 | 61.5 Ų | 61.5 | 30% | 0.301 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -91.1 | 163.2 | 171.6 | -52.1 | 0 | 0 | 0 | 0 | 111.9 | T1069 N1070 G1097 E1098 | T1069-S1095 PolarHBondContact OG1-OG 2.84Å; N1070-S1095 PolarHBondContact ND2-OG 3.26Å; S1095-G1097 PolarHBondContact O-N 2.76Å; S1095-E1098 VanDerWaalsContact CB-CD 3.47Å; S1095-E1098 WeakPolarHBondContact CB-OE1 3.31Å; S1095-E1098 PolarHBondContact N-OE2 2.92Å; S1095-E1098 PolarHBondContact O-N 2.61Å; S1095-E1098 PolarHBondContact OG-OE1 3.48Å |
| 1096 | E | 71.7 | Confident | 83.1 | Confident | 192 Ų | 192 | 61.5 Ų | 61.5 | 90% | 0.897 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 128.3 | -178.7 | -145.8 | 179.3 | -169.5 | 0 | 0 | 111.9 | ||
| 1097 | G | 67.6 | Low | 83.1 | Confident | 28 Ų | 28 | 58.6 Ų | 58.6 | 29% | 0.289 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -0.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | R1066 S1095 G1099 | R1066-G1097 WeakPolarHBondContact CB-O 3.43Å; R1066-G1097 PolarHBondContact N-O 3.47Å; S1095-G1097 PolarHBondContact O-N 2.76Å; G1097-G1099 VanDerWaalsContact C-N 3.35Å; G1097-G1099 PolarHBondContact O-N 2.93Å |
| 1098 | E | 70.9 | Confident | 83 | Confident | 11 Ų | 11 | 59.7 Ų | 59.7 | 5% | 0.051 | 31% | 0.312 | C | S | . | . | trans | -73.9 | -20.8 | -179.4 | -67.6 | -177.8 | 163.8 | 0 | 0 | 113.8 | T1065 T1069 S1095 N1159 | T1065-E1098 WeakPolarHBondContact CB-O 3.36Å; T1069-E1098 WeakPolarHBondContact CB-OE1 3.46Å; T1069-E1098 PolarHBondContact N-OE1 3.34Å; T1069-E1098 PolarHBondContact OG1-OE1 2.87Å; S1095-E1098 VanDerWaalsContact CB-CD 3.47Å; S1095-E1098 WeakPolarHBondContact CB-OE1 3.31Å; S1095-E1098 PolarHBondContact N-OE2 2.92Å; S1095-E1098 PolarHBondContact O-N 2.61Å; S1095-E1098 PolarHBondContact OG-OE1 3.48Å; E1098-N1159 PolarHBondContact O-ND2 2.93Å | ||
| 1099 | G | 69.6 | Low | 82.8 | Confident | 28 Ų | 28 | 55.2 Ų | 55.2 | 29% | 0.289 | 30% | 0.295 | S | S | . | . | trans | 62.7 | -168 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | G1097 | G1097-G1099 VanDerWaalsContact C-N 3.35Å; G1097-G1099 PolarHBondContact O-N 2.93Å | ||
| 1100 | P | 74.5 | Confident | 82.5 | Confident | 76 Ų | 76 | 56.8 Ų | 56.8 | 49% | 0.494 | 31% | 0.306 | S | S | . | . | trans | -78.9 | 140.6 | -173.4 | 28.8 | -33 | 0 | 0 | 0 | 114.1 | N1159 | P1100-N1159 WeakPolarHBondContact O-CB 3.45Š| ||
| 1101 | T | 78 | Confident | 82.2 | Confident | 52 Ų | 52 | 53.7 Ų | 53.7 | 32% | 0.319 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 139.2 | 176 | -53.3 | 0 | 0 | 0 | 0 | 112.2 | I1157 | T1101-I1157 HydrophobicContact CG2-CD1 3.66Å; T1101-I1157 HydrophobicContact CG2-CG1 3.69Å |
| 1102 | W | 81.7 | Confident | 82 | Confident | 142 Ų | 142 | 55.9 Ų | 55.9 | 54% | 0.538 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | -23.7 | 177.2 | -80 | 26.1 | 0 | 0 | 0 | 113.4 | G1135 F1158 | W1102-G1135 PolarHBondContact O-N 2.84Å; W1102-F1158 HydrophobicContact CB-CD2 3.93Å; W1102-F1158 HydrophobicContact CB-CE2 3.57Å; W1102-F1158 HydrophobicContact CB-CZ 4.21Å; W1102-F1158 HydrophobicContact CE3-CE2 4.4Å; W1102-F1158 PolarHBondContact N-O 3.07Å |
| 1103 | G | 89.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.2 | -157.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1133 F1158 | G1103-V1133 WeakPolarHBondContact CA-O 3.38Å; G1103-F1158 VanDerWaalsContact C-CD1 3.44Å; G1103-F1158 PolarHBondContact N-O 3.45Å; G1103-F1158 VanDerWaalsContact O-CD1 3.22Å; G1103-F1158 WeakPolarHBondContact O-CD1 3.48Å; G1103-F1158 PolarHBondContact O-N 2.8Å |
| 1104 | Y | 92.6 | Very high | 81.9 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 155.1 | -176.2 | -58 | -89.2 | 0 | 0 | 0 | 111.4 | P1072 W1089 P1091 V1133 V1137 V1155 Q1156 I1157 | P1072-Y1104 HydrophobicContact CB-CE1 4.48Å; P1072-Y1104 HydrophobicContact CG-CD1 3.94Å; P1072-Y1104 HydrophobicContact CG-CE1 3.96Å; W1089-Y1104 AromaticContact CD1-CE1 3.92Å; W1089-Y1104 AromaticContact CE2-CD2 3.92Å; W1089-Y1104 AromaticContact CE2-CG 3.74Å; W1089-Y1104 AromaticContact CZ2-CD2 3.82Å; W1089-Y1104 HydrophobicContact CZ2-CD2 3.82Å; W1089-Y1104 AromaticContact CZ2-CG 3.77Å; W1089-Y1104 HydrophobicContact CZ2-CG 3.77Å; W1089-Y1104 AromaticContact NE1-CD1 3.41Å; W1089-Y1104 AromaticContact NE1-CD2 3.45Å; W1089-Y1104 AromaticContact NE1-CE1 3.55Å; W1089-Y1104 AromaticContact NE1-CE2 3.58Å; W1089-Y1104 AromaticContact NE1-CG 3.36Å; W1089-Y1104 AromaticContact NE1-CZ 3.63Å; P1091-Y1104 VanDerWaalsContact CB-OH 3.3Å; P1091-Y1104 WeakPolarHBondContact CB-OH 3.47Å; Y1104-V1133 PolarHBondContact N-O 2.65Å; Y1104-V1133 PolarHBondContact O-N 3.06Å; Y1104-V1137 HydrophobicContact CD2-CG2 3.96Å; Y1104-V1137 WeakPolarHBondContact CD2-O 3.42Å; Y1104-V1137 WeakPolarHBondContact CE2-O 3.24Å; Y1104-V1155 HydrophobicContact CD1-CG1 4.04Å; Y1104-V1155 HydrophobicContact CG-CG1 4.32Å; Y1104-Q1156 CarbonylContact C-O 3.56Å; Y1104-Q1156 VanDerWaalsContact CA-O 3.22Å; Y1104-Q1156 WeakPolarHBondContact CA-O 3.34Å; Y1104-I1157 HydrophobicContact CD1-CB 4.19Å; Y1104-I1157 HydrophobicContact CD1-CG1 4.48Å; Y1104-I1157 HydrophobicContact CE1-CB 4.08Å; Y1104-I1157 HydrophobicContact CE1-CD1 4.28Å; Y1104-I1157 HydrophobicContact CE1-CG1 4.1Å |
| 1105 | R | 91.7 | Very high | 82.4 | Confident | 38 Ų | 38 | 48.8 Ų | 48.8 | 14% | 0.143 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 129.1 | 169.7 | -46.5 | -161.9 | -170.1 | 124 | 10.9 | 110.7 | Q1131 T1132 V1155 Q1156 F1158 D1163 | R1105-Q1131 CarbonylContact C-O 3.52Å; R1105-Q1131 WeakPolarHBondContact CA-O 3.31Å; R1105-T1132 HydrophobicContact CG-CG2 4.27Å; R1105-V1155 WeakPolarHBondContact O-CA 3.26Å; R1105-Q1156 HydrophobicContact CB-CG 3.73Å; R1105-Q1156 HydrophobicContact CG-CG 4.25Å; R1105-Q1156 PolarHBondContact N-O 2.74Å; R1105-Q1156 PolarHBondContact O-N 2.88Å; R1105-F1158 HydrophobicContact CG-CD1 3.8Å; R1105-F1158 HydrophobicContact CG-CE1 3.99Å; R1105-D1163 IonicContact CZ-OD1 3.5Å; R1105-D1163 IonicContact CZ-OD2 2.79Å; R1105-D1163 IonicContact NH1-OD1 3.37Å; R1105-D1163 PolarHBondContact NH1-OD1 2.88Å; R1105-D1163 IonicContact NH1-OD2 3.32Å; R1105-D1163 PolarHBondContact NH1-OD2 3.41Å; R1105-D1163 IonicContact NH2-OD1 2.68Å; R1105-D1163 PolarHBondContact NH2-OD1 3.06Å; R1105-D1163 IonicContact NH2-OD2 3.3Å |
| 1106 | I | 93.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 121.6 | 177.9 | -50.1 | 173.4 | 0 | 0 | 0 | 107.2 | V1087 W1089 R1130 Q1131 V1133 I1142 I1153 A1154 | V1087-I1106 HydrophobicContact CG2-CG2 4.27Å; W1089-I1106 HydrophobicContact CH2-CD1 3.97Å; W1089-I1106 HydrophobicContact CH2-CG1 4.17Å; W1089-I1106 HydrophobicContact CZ3-CD1 3.88Å; W1089-I1106 HydrophobicContact CZ3-CG1 4.11Å; I1106-R1130 WeakPolarHBondContact O-CA 3.37Å; I1106-Q1131 PolarHBondContact N-O 2.89Å; I1106-Q1131 PolarHBondContact O-N 2.93Å; I1106-V1133 HydrophobicContact CD1-CG2 3.94Å; I1106-V1133 HydrophobicContact CG1-CG2 4.38Å; I1106-I1142 HydrophobicContact CG2-CD1 3.88Å; I1106-I1142 HydrophobicContact CG2-CG1 4.19Å; I1106-I1153 HydrophobicContact CG2-CG2 3.81Å; I1106-A1154 WeakPolarHBondContact CA-O 3.39Å |
| 1107 | L | 92.3 | Very high | 83 | Confident | 20 Ų | 20 | 47.9 Ų | 47.9 | 11% | 0.105 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 128.5 | -179.8 | -57 | 172 | 0 | 0 | 0 | 107.6 | W1109 R1130 I1153 A1154 Q1156 E1166 | L1107-W1109 HydrophobicContact CB-CZ3 4.33Å; L1107-R1130 HydrophobicContact CD2-CB 3.67Å; L1107-I1153 CarbonylContact O-C 3.56Å; L1107-I1153 VanDerWaalsContact O-CA 3.28Å; L1107-I1153 WeakPolarHBondContact O-CA 3.48Å; L1107-A1154 HydrophobicContact CB-CB 4.46Å; L1107-A1154 PolarHBondContact N-O 2.75Å; L1107-A1154 PolarHBondContact O-N 3.28Å; L1107-Q1156 HydrophobicContact CD1-CG 4.5Å; L1107-E1166 HydrophobicContact CD1-CG 4.21Å |
| 1108 | Y | 92.8 | Very high | 83.6 | Confident | 22 Ų | 22 | 52.6 Ų | 52.6 | 9% | 0.086 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 145.7 | -176.9 | 63.2 | -86 | 0 | 0 | 0 | 113.3 | Q1129 Q1131 I1142 L1145 Y1151 C1152 | Y1108-Q1129 HydrophobicContact CD2-CB 4.22Å; Y1108-Q1129 HydrophobicContact CE1-CB 3.93Å; Y1108-Q1129 HydrophobicContact CE2-CB 3.58Å; Y1108-Q1129 HydrophobicContact CE2-CG 4.27Å; Y1108-Q1129 VanDerWaalsContact CZ-CB 3.4Å; Y1108-Q1129 PolarHBondContact N-O 2.74Å; Y1108-Q1129 PolarHBondContact O-N 2.56Å; Y1108-Q1129 WeakPolarHBondContact OH-CB 3.26Å; Y1108-Q1129 PolarHBondContact OH-OE1 2.78Å; Y1108-Q1131 HydrophobicContact CE1-CB 4.3Å; Y1108-I1142 HydrophobicContact CD1-CD1 3.9Å; Y1108-I1142 HydrophobicContact CD1-CG1 4.17Å; Y1108-I1142 HydrophobicContact CD1-CG2 3.86Å; Y1108-I1142 HydrophobicContact CD2-CG2 3.85Å; Y1108-I1142 HydrophobicContact CE1-CG1 4.45Å; Y1108-I1142 HydrophobicContact CE1-CG2 3.63Å; Y1108-I1142 HydrophobicContact CE2-CG2 3.62Å; Y1108-I1142 HydrophobicContact CG-CD1 3.94Å; Y1108-I1142 HydrophobicContact CG-CG2 3.97Å; Y1108-L1145 HydrophobicContact CD2-CD2 3.89Å; Y1108-L1145 HydrophobicContact CE2-CD2 3.7Å; Y1108-Y1151 HydrophobicContact CD2-CD1 4.46Å; Y1108-C1152 VanDerWaalsContact CA-O 3.25Å; Y1108-C1152 WeakPolarHBondContact CA-O 3.41Å |
| 1109 | W | 91.2 | Very high | 84.1 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 152.7 | 177.2 | 59.3 | 100.2 | 0 | 0 | 0 | 111.1 | L1107 S1120 R1124 Y1151 C1152 F1169 | L1107-W1109 HydrophobicContact CB-CZ3 4.33Å; W1109-S1120 PolarHBondContact NE1-O 3.41Å; W1109-S1120 PolarHBondContact NE1-OG 3.4Å; W1109-R1124 HydrophobicContact CD2-CB 3.75Å; W1109-R1124 HydrophobicContact CD2-CG 3.87Å; W1109-R1124 HydrophobicContact CE3-CB 4.1Å; W1109-R1124 HydrophobicContact CE3-CG 3.67Å; W1109-R1124 HydrophobicContact CG-CB 4.16Å; W1109-R1124 HydrophobicContact CH2-CB 4.4Å; W1109-R1124 HydrophobicContact CH2-CG 3.97Å; W1109-R1124 HydrophobicContact CZ2-CB 4.05Å; W1109-R1124 HydrophobicContact CZ2-CG 4.13Å; W1109-R1124 HydrophobicContact CZ3-CB 4.43Å; W1109-R1124 HydrophobicContact CZ3-CG 3.74Å; W1109-Y1151 VanDerWaalsContact C-CD1 3.42Å; W1109-Y1151 WeakPolarHBondContact O-CA 3.23Å; W1109-Y1151 WeakPolarHBondContact O-CD1 3.48Å; W1109-C1152 HydrophobicContact CD2-CB 4Å; W1109-C1152 VanDerWaalsContact CE2-CB 3.43Å; W1109-C1152 HydrophobicContact CG-CB 4.46Å; W1109-C1152 HydrophobicContact CH2-CB 4.2Å; W1109-C1152 HydrophobicContact CZ2-CB 3.56Å; W1109-C1152 PolarHBondContact N-O 3.14Å; W1109-C1152 PolarHBondContact O-N 2.78Å; W1109-F1169 AromaticContact CH2-CD1 3.81Å; W1109-F1169 HydrophobicContact CH2-CD1 3.81Å; W1109-F1169 AromaticContact CH2-CE1 3.67Å; W1109-F1169 HydrophobicContact CH2-CE1 3.67Å; W1109-F1169 HydrophobicContact CZ2-CD1 4.34Å; W1109-F1169 HydrophobicContact CZ2-CE1 4.3Å |
| 1110 | P | 88 | Confident | 84.5 | Confident | 38 Ų | 38 | 56.6 Ų | 56.6 | 25% | 0.247 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 137.1 | 176.2 | 25.3 | -32.3 | 0 | 0 | 0 | 110.7 | I1112 L1127 T1149 Y1151 | P1110-I1112 PolarHBondContact O-N 2.93Å; P1110-L1127 HydrophobicContact CG-CD1 4.42Å; P1110-T1149 HydrophobicContact CB-CG2 4.24Å; P1110-Y1151 HydrophobicContact CB-CD1 4.48Å; P1110-Y1151 HydrophobicContact CB-CE1 4.08Å |
| 1111 | R | 84.2 | Confident | 84.5 | Confident | 95 Ų | 95 | 55.9 Ų | 55.9 | 36% | 0.358 | 27% | 0.265 | S | S | . | . | trans | -78.2 | 111.7 | -175.7 | -172.5 | -177.7 | 111.4 | 175.2 | 0.8 | 110.1 | S1113 Y1150 E1171 | R1111-S1113 WeakPolarHBondContact CD-O 3.44Å; R1111-S1113 WeakPolarHBondContact CG-O 3.36Å; R1111-Y1150 VanDerWaalsContact CB-O 3.31Å; R1111-Y1150 WeakPolarHBondContact CB-O 3.39Å; R1111-Y1150 PolarHBondContact N-O 2.84Å; R1111-E1171 IonicContact CZ-OE2 2.7Å; R1111-E1171 IonicContact NH1-OE1 3.52Å; R1111-E1171 PolarHBondContact NH1-OE1 2.89Å; R1111-E1171 IonicContact NH1-OE2 3.82Å; R1111-E1171 PolarHBondContact NH1-OE2 2.82Å | ||
| 1112 | I | 81.2 | Confident | 84.5 | Confident | 109 Ų | 109 | 59.1 Ų | 59.1 | 56% | 0.559 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -87.5 | -35.2 | 173.6 | -53.8 | -171.9 | 0 | 0 | 0 | 111.1 | P1110 A1123 | P1110-I1112 PolarHBondContact O-N 2.93Å; I1112-A1123 HydrophobicContact CD1-CB 3.5Å; I1112-A1123 VanDerWaalsContact CD1-CB 3.5Å; I1112-A1123 HydrophobicContact CG1-CB 3.98Å |
| 1113 | S | 81.3 | Confident | 84.2 | Confident | 22 Ų | 22 | 52.4 Ų | 52.4 | 15% | 0.154 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -146.9 | -167.6 | -178.7 | 65.1 | 0 | 0 | 0 | 0 | 109.7 | R1111 C1115 S1117 | R1111-S1113 WeakPolarHBondContact CD-O 3.44Å; R1111-S1113 WeakPolarHBondContact CG-O 3.36Å; S1113-C1115 PolarHBondContact O-N 2.72Å; S1113-S1117 WeakPolarHBondContact OG-CB 3.29Å; S1113-S1117 PolarHBondContact OG-OG 3.17Å |
| 1114 | D | 81.8 | Confident | 83.7 | Confident | 100 Ų | 100 | 54.3 Ų | 54.3 | 54% | 0.535 | 25% | 0.254 | S | S | . | . | trans | -48.4 | 134.1 | 166.4 | -172.8 | -35.5 | 0 | 0 | 0 | 110.5 | R1116 S1117 S1120 | D1114-R1116 PolarHBondContact O-N 2.66Å; D1114-R1116 VanDerWaalsContact O-N 3.08Å; D1114-R1116 PolarHBondContact OD1-N 2.68Å; D1114-S1117 VanDerWaalsContact O-CB 3.26Å; D1114-S1117 WeakPolarHBondContact O-CB 3.17Å; D1114-S1117 PolarHBondContact O-N 3.45Å; D1114-S1117 PolarHBondContact O-OG 2.7Å; D1114-S1120 VanDerWaalsContact O-CB 3.24Å; D1114-S1120 WeakPolarHBondContact O-CB 3.07Å | ||
| 1115 | C | 82.7 | Confident | 82.9 | Confident | 6 Ų | 6 | 62.5 Ų | 62.5 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -22.9 | -178.1 | -65.5 | 0 | 0 | 0 | 0 | 113.5 | S1113 S1120 C1152 F1169 | S1113-C1115 PolarHBondContact O-N 2.72Å; C1115-S1120 WeakPolarHBondContact CA-OG 3.46Å; C1115-S1120 PolarHBondContact O-OG 2.84Å; C1115-S1120 VanDerWaalsContact O-OG 3.08Å; C1115-C1152 WeakPolarHBondContact CA-SG 3.41Å; C1115-C1152 HydrophobicContact CB-CB 3.77Å; C1115-C1152 WeakPolarHBondContact CB-SG 3.34Å; C1115-C1152 VanDerWaalsContact SG-CA 3.55Å; C1115-C1152 WeakPolarHBondContact SG-CB 3.43Å; C1115-C1152 CovalentContact SG-SG 2.03Å; C1115-C1152 PolarHBondContact SG-SG 2.6Å; C1115-F1169 HydrophobicContact CB-CB 4.19Å |
| 1116 | R | 78.8 | Confident | 82.4 | Confident | 186 Ų | 186 | 67.9 Ų | 67.9 | 70% | 0.702 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 0.3 | 177 | -62.9 | -179.5 | -179.2 | -157.4 | 0.7 | 114.2 | D1114 F1169 | D1114-R1116 PolarHBondContact O-N 2.66Å; D1114-R1116 VanDerWaalsContact O-N 3.08Å; D1114-R1116 PolarHBondContact OD1-N 2.68Å; R1116-F1169 HydrophobicContact CG-CD2 4.1Å |
| 1117 | S | 79.7 | Confident | 81.6 | Confident | 30 Ų | 30 | 72.3 Ų | 72.3 | 21% | 0.21 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -78.7 | 158.8 | -177.5 | 101 | 0 | 0 | 0 | 0 | 111.8 | S1113 D1114 E1119 S1120 D1121 | S1113-S1117 WeakPolarHBondContact OG-CB 3.29Å; S1113-S1117 PolarHBondContact OG-OG 3.17Å; D1114-S1117 VanDerWaalsContact O-CB 3.26Å; D1114-S1117 WeakPolarHBondContact O-CB 3.17Å; D1114-S1117 PolarHBondContact O-N 3.45Å; D1114-S1117 PolarHBondContact O-OG 2.7Å; S1117-E1119 VanDerWaalsContact C-N 3.25Å; S1117-E1119 PolarHBondContact O-N 2.81Å; S1117-E1119 PolarHBondContact OG-N 3.4Å; S1117-S1120 WeakPolarHBondContact O-CB 3.46Å; S1117-S1120 PolarHBondContact O-N 2.91Å; S1117-S1120 PolarHBondContact OG-N 3.45Å; S1117-S1120 VanDerWaalsContact OG-N 3.08Å; S1117-D1121 PolarHBondContact O-N 3.24Å |
| 1118 | L | 79.1 | Confident | 81 | Confident | 127 Ų | 127 | 73.2 Ų | 73.2 | 67% | 0.665 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.2 | -32.2 | 171.8 | -172.6 | 67.7 | 0 | 0 | 0 | 113 | D1121 R1122 | L1118-D1121 PolarHBondContact O-N 3.48Å; L1118-R1122 PolarHBondContact O-N 3.12Å; L1118-R1122 VanDerWaalsContact O-N 3.11Å |
| 1119 | E | 81.8 | Confident | 80.8 | Confident | 122 Ų | 122 | 77.4 Ų | 77.4 | 57% | 0.57 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -68.4 | -39.7 | 176.2 | -67.1 | 178.9 | 165.5 | 0 | 0 | 111 | S1117 R1122 A1123 | S1117-E1119 VanDerWaalsContact C-N 3.25Å; S1117-E1119 PolarHBondContact O-N 2.81Å; S1117-E1119 PolarHBondContact OG-N 3.4Å; E1119-R1122 WeakPolarHBondContact O-CB 2.99Å; E1119-R1122 PolarHBondContact O-N 3.27Å; E1119-A1123 WeakPolarHBondContact O-CB 3.45Å; E1119-A1123 PolarHBondContact O-N 2.64Å |
| 1120 | S | 78.8 | Confident | 80.6 | Confident | 0 Ų | 0 | 85.6 Ų | 85.6 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 175 | 178.5 | 0 | 0 | 0 | 0 | 111.7 | W1109 D1114 C1115 S1117 R1122 A1123 R1124 | W1109-S1120 PolarHBondContact NE1-O 3.41Å; W1109-S1120 PolarHBondContact NE1-OG 3.4Å; D1114-S1120 VanDerWaalsContact O-CB 3.24Å; D1114-S1120 WeakPolarHBondContact O-CB 3.07Å; C1115-S1120 WeakPolarHBondContact CA-OG 3.46Å; C1115-S1120 PolarHBondContact O-OG 2.84Å; C1115-S1120 VanDerWaalsContact O-OG 3.08Å; S1117-S1120 WeakPolarHBondContact O-CB 3.46Å; S1117-S1120 PolarHBondContact O-N 2.91Å; S1117-S1120 PolarHBondContact OG-N 3.45Å; S1117-S1120 VanDerWaalsContact OG-N 3.08Å; S1120-R1122 VanDerWaalsContact C-N 3.32Å; S1120-R1122 PolarHBondContact O-N 3.29Å; S1120-A1123 WeakPolarHBondContact O-CB 3.46Å; S1120-A1123 PolarHBondContact O-N 2.7Å; S1120-R1124 VanDerWaalsContact O-CB 3.3Å; S1120-R1124 WeakPolarHBondContact O-CB 3.12Å; S1120-R1124 PolarHBondContact O-N 2.61Å |
| 1121 | D | 75.2 | Confident | 80.7 | Confident | 62 Ų | 62 | 86.6 Ų | 86.6 | 33% | 0.332 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.8 | -38.1 | 173.8 | -80.3 | -20.8 | 0 | 0 | 0 | 112.3 | S1117 L1118 R1124 H1125 | S1117-D1121 PolarHBondContact O-N 3.24Å; L1118-D1121 PolarHBondContact O-N 3.48Å; D1121-R1124 WeakPolarHBondContact O-CB 3.36Å; D1121-R1124 PolarHBondContact O-N 3.05Å; D1121-H1125 PolarHBondContact O-CD2 2.89Å; D1121-H1125 PolarHBondContact O-N 3.08Å; D1121-H1125 VanDerWaalsContact O-N 3.17Å |
| 1122 | R | 77.4 | Confident | 81 | Confident | 119 Ų | 119 | 84.9 Ų | 84.9 | 45% | 0.449 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.7 | -47.1 | 173.3 | -123.2 | -171.9 | -80.2 | -163.7 | -11.4 | 111.4 | E368 L1118 E1119 S1120 R1124 H1125 Q1126 | E368-R1122 IonicContact OE1-CZ 3.51Å; E368-R1122 IonicContact OE1-NH1 2.78Å; E368-R1122 PolarHBondContact OE1-NH1 2.78Å; E368-R1122 IonicContact OE1-NH2 3.16Å; E368-R1122 PolarHBondContact OE1-NH2 3.27Å; L1118-R1122 PolarHBondContact O-N 3.12Å; L1118-R1122 VanDerWaalsContact O-N 3.11Å; E1119-R1122 WeakPolarHBondContact O-CB 2.99Å; E1119-R1122 PolarHBondContact O-N 3.27Å; S1120-R1122 VanDerWaalsContact C-N 3.32Å; S1120-R1122 PolarHBondContact O-N 3.29Å; R1122-R1124 VanDerWaalsContact C-N 3.28Å; R1122-R1124 PolarHBondContact O-N 3.27Å; R1122-H1125 PolarHBondContact O-N 3.42Å; R1122-H1125 VanDerWaalsContact O-N 3.14Å; R1122-Q1126 WeakPolarHBondContact O-CG 3.23Å; R1122-Q1126 PolarHBondContact O-N 3.08Å |
| 1123 | A | 75.2 | Confident | 81.3 | Confident | 1 Ų | 1 | 81 Ų | 81 | 1% | 0.008 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.7 | -40.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1112 E1119 S1120 H1125 Q1126 L1127 | I1112-A1123 HydrophobicContact CD1-CB 3.5Å; I1112-A1123 VanDerWaalsContact CD1-CB 3.5Å; I1112-A1123 HydrophobicContact CG1-CB 3.98Å; E1119-A1123 WeakPolarHBondContact O-CB 3.45Å; E1119-A1123 PolarHBondContact O-N 2.64Å; S1120-A1123 WeakPolarHBondContact O-CB 3.46Å; S1120-A1123 PolarHBondContact O-N 2.7Å; A1123-H1125 VanDerWaalsContact C-N 3.34Å; A1123-H1125 PolarHBondContact O-N 3.19Å; A1123-Q1126 PolarHBondContact O-N 2.92Å; A1123-L1127 WeakPolarHBondContact O-CA 3.15Å; A1123-L1127 WeakPolarHBondContact O-CB 3.24Å; A1123-L1127 PolarHBondContact O-N 3.08Å |
| 1124 | R | 79.4 | Confident | 81.5 | Confident | 41 Ų | 41 | 86.2 Ų | 86.2 | 16% | 0.155 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.2 | -43.2 | 174.5 | 179.5 | -173 | -176.8 | 172.9 | 11.9 | 112.3 | W1109 S1120 D1121 R1122 G1128 E1166 | W1109-R1124 HydrophobicContact CD2-CB 3.75Å; W1109-R1124 HydrophobicContact CD2-CG 3.87Å; W1109-R1124 HydrophobicContact CE3-CB 4.1Å; W1109-R1124 HydrophobicContact CE3-CG 3.67Å; W1109-R1124 HydrophobicContact CG-CB 4.16Å; W1109-R1124 HydrophobicContact CH2-CB 4.4Å; W1109-R1124 HydrophobicContact CH2-CG 3.97Å; W1109-R1124 HydrophobicContact CZ2-CB 4.05Å; W1109-R1124 HydrophobicContact CZ2-CG 4.13Å; W1109-R1124 HydrophobicContact CZ3-CB 4.43Å; W1109-R1124 HydrophobicContact CZ3-CG 3.74Å; S1120-R1124 VanDerWaalsContact O-CB 3.3Å; S1120-R1124 WeakPolarHBondContact O-CB 3.12Å; S1120-R1124 PolarHBondContact O-N 2.61Å; D1121-R1124 WeakPolarHBondContact O-CB 3.36Å; D1121-R1124 PolarHBondContact O-N 3.05Å; R1122-R1124 VanDerWaalsContact C-N 3.28Å; R1122-R1124 PolarHBondContact O-N 3.27Å; R1124-G1128 WeakPolarHBondContact O-CA 3.23Å; R1124-G1128 PolarHBondContact O-N 3.43Å; R1124-E1166 IonicContact CZ-OE1 3.01Å; R1124-E1166 IonicContact CZ-OE2 3.02Å; R1124-E1166 IonicContact NH1-OE1 2.76Å; R1124-E1166 IonicContact NH1-OE2 2.68Å; R1124-E1166 PolarHBondContact NH1-OE2 3.45Å; R1124-E1166 IonicContact NH2-OE1 3.41Å; R1124-E1166 PolarHBondContact NH2-OE1 3.44Å; R1124-E1166 IonicContact NH2-OE2 3.91Å; R1124-E1166 PolarHBondContact NH2-OE2 2.87Å |
| 1125 | H | 76.2 | Confident | 81.5 | Confident | 172 Ų | 172 | 83 Ų | 83 | 80% | 0.796 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -70.1 | -33.6 | 178 | -86.6 | -65.3 | 0 | 0 | 0 | 113.2 | D1121 R1122 A1123 | D1121-H1125 PolarHBondContact O-CD2 2.89Å; D1121-H1125 PolarHBondContact O-N 3.08Å; D1121-H1125 VanDerWaalsContact O-N 3.17Å; R1122-H1125 PolarHBondContact O-N 3.42Å; R1122-H1125 VanDerWaalsContact O-N 3.14Å; A1123-H1125 VanDerWaalsContact C-N 3.34Å; A1123-H1125 PolarHBondContact O-N 3.19Å |
| 1126 | Q | 79.8 | Confident | 81.4 | Confident | 151 Ų | 151 | 89.3 Ų | 89.3 | 71% | 0.706 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -88.1 | -37.7 | -176.5 | -68.9 | 178.9 | -17.9 | 0 | 0 | 113.7 | R1122 A1123 | R1122-Q1126 WeakPolarHBondContact O-CG 3.23Å; R1122-Q1126 PolarHBondContact O-N 3.08Å; A1123-Q1126 PolarHBondContact O-N 2.92Å |
| 1127 | L | 76.5 | Confident | 81.7 | Confident | 93 Ų | 93 | 82.5 Ų | 82.5 | 49% | 0.487 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -120.9 | -5.2 | -170.1 | -57 | 173.6 | 0 | 0 | 0 | 113 | P1110 A1123 | P1110-L1127 HydrophobicContact CG-CD1 4.42Å; A1123-L1127 WeakPolarHBondContact O-CA 3.15Å; A1123-L1127 WeakPolarHBondContact O-CB 3.24Å; A1123-L1127 PolarHBondContact O-N 3.08Å |
| 1128 | G | 80.9 | Confident | 82.1 | Confident | 39 Ų | 39 | 84.7 Ų | 84.7 | 40% | 0.402 | 43% | 0.427 | S | S | . | . | trans | -66.6 | 134.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R1124 | R1124-G1128 WeakPolarHBondContact O-CA 3.23Å; R1124-G1128 PolarHBondContact O-N 3.43Å | ||
| 1129 | Q | 88.2 | Confident | 82.8 | Confident | 111 Ų | 111 | 82.9 Ų | 82.9 | 52% | 0.519 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 156.9 | 175.6 | -63.8 | -170.9 | -2.1 | 0 | 0 | 110.4 | Y1108 | Y1108-Q1129 HydrophobicContact CD2-CB 4.22Å; Y1108-Q1129 HydrophobicContact CE1-CB 3.93Å; Y1108-Q1129 HydrophobicContact CE2-CB 3.58Å; Y1108-Q1129 HydrophobicContact CE2-CG 4.27Å; Y1108-Q1129 VanDerWaalsContact CZ-CB 3.4Å; Y1108-Q1129 PolarHBondContact N-O 2.74Å; Y1108-Q1129 PolarHBondContact O-N 2.56Å; Y1108-Q1129 WeakPolarHBondContact OH-CB 3.26Å; Y1108-Q1129 PolarHBondContact OH-OE1 2.78Å |
| 1130 | R | 87.4 | Confident | 83.2 | Confident | 173 Ų | 173 | 77.7 Ų | 77.7 | 65% | 0.653 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 135.6 | 179.4 | 71.5 | 179.6 | -174 | 174.2 | 0.5 | 111.7 | I1106 L1107 | I1106-R1130 WeakPolarHBondContact O-CA 3.37Å; L1107-R1130 HydrophobicContact CD2-CB 3.67Å |
| 1131 | Q | 89.7 | Confident | 83.8 | Confident | 60 Ų | 60 | 80.3 Ų | 80.3 | 28% | 0.28 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 131.3 | 171.3 | -174.2 | 177.9 | 2.1 | 0 | 0 | 109.6 | R1105 I1106 Y1108 L1141 | R1105-Q1131 CarbonylContact C-O 3.52Å; R1105-Q1131 WeakPolarHBondContact CA-O 3.31Å; I1106-Q1131 PolarHBondContact N-O 2.89Å; I1106-Q1131 PolarHBondContact O-N 2.93Å; Y1108-Q1131 HydrophobicContact CE1-CB 4.3Å; Q1131-L1141 PolarHBondContact NE2-O 2.78Å; Q1131-L1141 PolarHBondContact OE1-O 2.04Å; Q1131-L1141 VanDerWaalsContact OE1-O 3.06Å |
| 1132 | T | 90.6 | Very high | 84.6 | Confident | 58 Ų | 58 | 77.4 Ų | 77.4 | 36% | 0.356 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 133.3 | 179.6 | -56.6 | 0 | 0 | 0 | 0 | 110 | R1105 F1158 | R1105-T1132 HydrophobicContact CG-CG2 4.27Å; T1132-F1158 HydrophobicContact CG2-CE1 3.83Å; T1132-F1158 HydrophobicContact CG2-CZ 3.84Å |
| 1133 | V | 87 | Confident | 85.1 | Confident | 29 Ų | 29 | 77.3 Ų | 77.3 | 18% | 0.176 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 122.1 | 175.7 | -158.6 | 0 | 0 | 0 | 0 | 108.4 | G1103 Y1104 I1106 V1137 | G1103-V1133 WeakPolarHBondContact CA-O 3.38Å; Y1104-V1133 PolarHBondContact N-O 2.65Å; Y1104-V1133 PolarHBondContact O-N 3.06Å; I1106-V1133 HydrophobicContact CD1-CG2 3.94Å; I1106-V1133 HydrophobicContact CG1-CG2 4.38Å; V1133-V1137 HydrophobicContact CB-CG2 3.92Å; V1133-V1137 HydrophobicContact CG1-CB 4.32Å; V1133-V1137 HydrophobicContact CG1-CG1 4.27Å; V1133-V1137 HydrophobicContact CG1-CG2 3.56Å |
| 1134 | H | 86.2 | Confident | 85.6 | Confident | 131 Ų | 131 | 80.5 Ų | 80.5 | 61% | 0.606 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 147.9 | -174 | -69.8 | -77 | 0 | 0 | 0 | 112.2 | F1158 | H1134-F1158 AromaticContact CE1-CZ 3.93Å; H1134-F1158 AromaticContact ND1-CZ 3.84Å |
| 1135 | G | 80.8 | Confident | 86.1 | Confident | 33 Ų | 33 | 79.1 Ų | 79.1 | 34% | 0.34 | 43% | 0.428 | S | S | . | . | S | Bend | trans | 90.7 | -179.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | W1102 V1137 | W1102-G1135 PolarHBondContact O-N 2.84Å; G1135-V1137 PolarHBondContact O-N 2.82Å |
| 1136 | D | 81.1 | Confident | 86.7 | Confident | 138 Ų | 138 | 76 Ų | 76 | 74% | 0.738 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -76 | 66.2 | 174.9 | -82.9 | -22 | 0 | 0 | 0 | 110.7 | ||
| 1137 | V | 83.9 | Confident | 87 | Confident | 43 Ų | 43 | 70.5 Ų | 70.5 | 26% | 0.261 | 40% | 0.397 | S | S | . | . | trans | -95.3 | 145.7 | 175.4 | -69 | 0 | 0 | 0 | 0 | 110.8 | W1089 Y1104 V1133 G1135 | W1089-V1137 HydrophobicContact CZ2-CG2 3.99Å; W1089-V1137 PolarHBondContact NE1-O 3.49Å; W1089-V1137 VanDerWaalsContact NE1-O 3.15Å; Y1104-V1137 HydrophobicContact CD2-CG2 3.96Å; Y1104-V1137 WeakPolarHBondContact CD2-O 3.42Å; Y1104-V1137 WeakPolarHBondContact CE2-O 3.24Å; V1133-V1137 HydrophobicContact CB-CG2 3.92Å; V1133-V1137 HydrophobicContact CG1-CB 4.32Å; V1133-V1137 HydrophobicContact CG1-CG1 4.27Å; V1133-V1137 HydrophobicContact CG1-CG2 3.56Å; G1135-V1137 PolarHBondContact O-N 2.82Å | ||
| 1138 | T | 89.9 | Confident | 87.6 | Confident | 75 Ų | 75 | 70.1 Ų | 70.1 | 46% | 0.46 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -115.2 | 6.4 | 175.7 | 55 | 0 | 0 | 0 | 0 | 112.5 | W1088 W1089 P1091 | W1088-T1138 VanDerWaalsContact CA-O 3.27Å; W1088-T1138 WeakPolarHBondContact CA-O 3.44Å; W1089-T1138 PolarHBondContact N-O 2.82Å; W1089-T1138 WeakPolarHBondContact O-CB 3.37Å; P1091-T1138 HydrophobicContact CG-CG2 4.13Å |
| 1139 | E | 91.9 | Very high | 87.9 | Confident | 90 Ų | 90 | 70.2 Ų | 70.2 | 42% | 0.421 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 159.6 | 176.3 | 72.4 | 169.6 | -168 | 0 | 0 | 114.1 | R1086 V1087 W1088 W1089 | R1086-E1139 IonicContact NH1-OE2 3.43Å; V1087-E1139 CarbonylContact O-C 3.45Å; V1087-E1139 WeakPolarHBondContact O-CA 3.36Å; W1088-E1139 VanDerWaalsContact CD1-CB 3.44Å; W1088-E1139 HydrophobicContact CG-CB 4.28Å; W1088-E1139 PolarHBondContact NE1-OE2 2.8Å; W1089-E1139 VanDerWaalsContact CH2-C 3.45Å |
| 1140 | G | 90.9 | Very high | 88 | Confident | 12 Ų | 12 | 70.3 Ų | 70.3 | 12% | 0.124 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 161.3 | 173 | 0 | 0 | 0 | 0 | 0 | 114.1 | R1086 V1087 | R1086-G1140 CarbonylContact C-O 3.6Å; R1086-G1140 WeakPolarHBondContact CA-O 3.48Å; V1087-G1140 PolarHBondContact N-O 2.84Å; V1087-G1140 PolarHBondContact O-N 2.91Å |
| 1141 | L | 91.4 | Very high | 88.3 | Confident | 56 Ų | 56 | 62.7 Ų | 62.7 | 29% | 0.293 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 119.3 | -177.4 | -178.1 | 72.9 | 0 | 0 | 0 | 111.4 | F1080 R1086 Q1131 I1143 | F1080-L1141 HydrophobicContact CB-CD1 3.75Å; F1080-L1141 HydrophobicContact CD1-CD1 3.87Å; F1080-L1141 HydrophobicContact CD1-CD2 4.34Å; F1080-L1141 HydrophobicContact CD2-CD1 4.23Å; F1080-L1141 HydrophobicContact CE1-CD2 4.34Å; F1080-L1141 HydrophobicContact CG-CD1 3.67Å; R1086-L1141 HydrophobicContact CB-CD1 4.06Å; Q1131-L1141 PolarHBondContact NE2-O 2.78Å; Q1131-L1141 PolarHBondContact OE1-O 2.04Å; Q1131-L1141 VanDerWaalsContact OE1-O 3.06Å; L1141-I1143 HydrophobicContact CD2-CG2 4.09Å; L1141-I1143 HydrophobicContact CG-CG2 4.1Å |
| 1142 | I | 91.3 | Very high | 88.4 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 132.5 | 175.5 | -50.1 | 167.2 | 0 | 0 | 0 | 108.5 | S1084 I1085 V1087 I1106 Y1108 L1145 I1153 | S1084-I1142 CarbonylContact C-O 3.5Å; S1084-I1142 WeakPolarHBondContact CA-O 3.3Å; S1084-I1142 WeakPolarHBondContact CB-O 3.49Å; I1085-I1142 PolarHBondContact N-O 3.09Å; I1085-I1142 PolarHBondContact O-N 2.97Å; V1087-I1142 HydrophobicContact CG2-CD1 3.85Å; V1087-I1142 HydrophobicContact CG2-CG1 4.34Å; I1106-I1142 HydrophobicContact CG2-CD1 3.88Å; I1106-I1142 HydrophobicContact CG2-CG1 4.19Å; Y1108-I1142 HydrophobicContact CD1-CD1 3.9Å; Y1108-I1142 HydrophobicContact CD1-CG1 4.17Å; Y1108-I1142 HydrophobicContact CD1-CG2 3.86Å; Y1108-I1142 HydrophobicContact CD2-CG2 3.85Å; Y1108-I1142 HydrophobicContact CE1-CG1 4.45Å; Y1108-I1142 HydrophobicContact CE1-CG2 3.63Å; Y1108-I1142 HydrophobicContact CE2-CG2 3.62Å; Y1108-I1142 HydrophobicContact CG-CD1 3.94Å; Y1108-I1142 HydrophobicContact CG-CG2 3.97Å; I1142-L1145 HydrophobicContact CB-CD1 4.32Å; I1142-L1145 HydrophobicContact CG2-CD1 3.94Å; I1142-L1145 HydrophobicContact CG2-CD2 3.78Å; I1142-L1145 HydrophobicContact CG2-CG 4.05Å; I1142-I1153 HydrophobicContact CD1-CD1 4.05Å; I1142-I1153 HydrophobicContact CD1-CG1 4.33Å |
| 1143 | I | 88.6 | Confident | 88.6 | Confident | 116 Ų | 116 | 57 Ų | 57 | 60% | 0.595 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129 | 158.6 | -177.7 | 61.3 | 170.1 | 0 | 0 | 0 | 111.4 | S1083 L1141 | S1083-I1143 CarbonylContact O-C 3.59Å; L1141-I1143 HydrophobicContact CD2-CG2 4.09Å; L1141-I1143 HydrophobicContact CG-CG2 4.1Å |
| 1144 | G | 85.9 | Confident | 88.8 | Confident | 69 Ų | 69 | 55.7 Ų | 55.7 | 71% | 0.711 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 81.9 | 28.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | S1083 | S1083-G1144 PolarHBondContact O-N 2.99Š|
| 1145 | L | 90.3 | Very high | 89.2 | Confident | 11 Ų | 11 | 49.4 Ų | 49.4 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -87.8 | 159.3 | 178.4 | -55.7 | 179.9 | 0 | 0 | 0 | 111.5 | S1083 I1085 Y1108 I1142 Y1151 T1174 | S1083-L1145 VanDerWaalsContact CA-O 3.25Å; S1083-L1145 WeakPolarHBondContact CA-O 3.32Å; S1083-L1145 WeakPolarHBondContact CB-O 3.47Å; S1083-L1145 PolarHBondContact O-N 3.28Å; I1085-L1145 HydrophobicContact CB-CD1 4.12Å; I1085-L1145 HydrophobicContact CD1-CD1 3.71Å; I1085-L1145 HydrophobicContact CG1-CD1 3.77Å; Y1108-L1145 HydrophobicContact CD2-CD2 3.89Å; Y1108-L1145 HydrophobicContact CE2-CD2 3.7Å; I1142-L1145 HydrophobicContact CB-CD1 4.32Å; I1142-L1145 HydrophobicContact CG2-CD1 3.94Å; I1142-L1145 HydrophobicContact CG2-CD2 3.78Å; I1142-L1145 HydrophobicContact CG2-CG 4.05Å; L1145-Y1151 HydrophobicContact CB-CE2 3.8Å; L1145-Y1151 HydrophobicContact CD1-CD2 4.21Å; L1145-Y1151 HydrophobicContact CD1-CE2 4.17Å; L1145-Y1151 HydrophobicContact CD2-CD1 4.24Å; L1145-Y1151 HydrophobicContact CD2-CE1 3.73Å; L1145-Y1151 HydrophobicContact CD2-CE2 4.29Å; L1145-Y1151 HydrophobicContact CG-CE2 4.31Å; L1145-T1174 HydrophobicContact CB-CG2 3.8Å; L1145-T1174 HydrophobicContact CD1-CG2 3.93Å |
| 1146 | D | 88.5 | Confident | 89.6 | Confident | 107 Ų | 107 | 48.7 Ų | 48.7 | 57% | 0.572 | 28% | 0.276 | S | S | * | . | P | Polyproline II helix | trans | -75 | 143.3 | 173.6 | -66.9 | -43.5 | 0 | 0 | 0 | 110.7 | Y1151 T1174 | D1146-Y1151 PolarHBondContact N-OH 2.95Å; D1146-T1174 PolarHBondContact O-OG1 3.29Å |
| 1147 | A | 86.2 | Confident | 90 | Very high | 35 Ų | 35 | 42.4 Ų | 42.4 | 29% | 0.289 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 152.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | C1082 T1149 T1177 | C1082-A1147 HydrophobicContact CB-CB 4.1Å; C1082-A1147 WeakPolarHBondContact O-CA 3.24Å; C1082-A1147 WeakPolarHBondContact O-CB 3.35Å; C1082-A1147 PolarHBondContact O-N 3.18Å; A1147-T1149 PolarHBondContact O-N 2.86Å; A1147-T1149 VanDerWaalsContact O-N 3.12Å; A1147-T1149 PolarHBondContact O-OG1 3.47Å; A1147-T1177 HydrophobicContact CB-CG2 3.68Å |
| 1148 | D | 88.3 | Confident | 90.3 | Very high | 85 Ų | 85 | 40.8 Ų | 40.8 | 46% | 0.455 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 32 | 179.8 | -154.3 | 23.7 | 0 | 0 | 0 | 114.3 | T1174 F1175 K1176 | D1148-T1174 PolarHBondContact N-OG1 3.05Å; D1148-T1174 VanDerWaalsContact N-OG1 3.09Å; D1148-F1175 PolarHBondContact N-O 2.51Å; D1148-F1175 VanDerWaalsContact N-O 3.08Å; D1148-K1176 HydrophobicContact CB-CG 4.1Å; D1148-K1176 WeakPolarHBondContact OD1-CG 3.36Å |
| 1149 | T | 88.5 | Confident | 90 | Very high | 41 Ų | 41 | 37.6 Ų | 37.6 | 25% | 0.252 | 21% | 0.213 | S | C | . | . | trans | -116.5 | 136.1 | -174.3 | -59 | 0 | 0 | 0 | 0 | 111 | P1110 A1147 Y1151 T1173 T1174 | P1110-T1149 HydrophobicContact CB-CG2 4.24Å; A1147-T1149 PolarHBondContact O-N 2.86Å; A1147-T1149 VanDerWaalsContact O-N 3.12Å; A1147-T1149 PolarHBondContact O-OG1 3.47Å; T1149-Y1151 HydrophobicContact CG2-CD2 4.34Å; T1149-Y1151 HydrophobicContact CG2-CE2 3.78Å; T1149-Y1151 WeakPolarHBondContact O-CD2 3.31Å; T1149-T1173 WeakPolarHBondContact O-CA 3.43Å; T1149-T1173 WeakPolarHBondContact O-CG2 3.42Å; T1149-T1174 PolarHBondContact N-OG1 3.04Å; T1149-T1174 PolarHBondContact O-N 3.43Å; T1149-T1174 PolarHBondContact O-OG1 3.25Å | ||
| 1150 | Y | 90.2 | Very high | 89.1 | Confident | 114 Ų | 114 | 34.8 Ų | 34.8 | 45% | 0.447 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 133.8 | 174.7 | -77 | -95.8 | 0 | 0 | 0 | 110.3 | R1111 T1173 | R1111-Y1150 VanDerWaalsContact CB-O 3.31Å; R1111-Y1150 WeakPolarHBondContact CB-O 3.39Å; R1111-Y1150 PolarHBondContact N-O 2.84Å; Y1150-T1173 HydrophobicContact CD1-CG2 4.24Å; Y1150-T1173 WeakPolarHBondContact CD1-OG1 3.37Å; Y1150-T1173 HydrophobicContact CD2-CG2 3.75Å; Y1150-T1173 HydrophobicContact CE1-CG2 4.29Å; Y1150-T1173 WeakPolarHBondContact CE1-OG1 3.43Å; Y1150-T1173 HydrophobicContact CE2-CG2 3.79Å; Y1150-T1173 HydrophobicContact CG-CG2 3.98Å; Y1150-T1173 VanDerWaalsContact CZ-OG1 3.27Å |
| 1151 | Y | 93.1 | Very high | 88.1 | Confident | 12 Ų | 12 | 35.1 Ų | 35.1 | 5% | 0.047 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 140.1 | 175.4 | -74.7 | -93 | 0 | 0 | 0 | 111.3 | I1085 Y1108 W1109 P1110 L1145 D1146 T1149 E1171 Q1172 T1174 | I1085-Y1151 HydrophobicContact CD1-CD2 3.96Å; I1085-Y1151 HydrophobicContact CD1-CG 4.24Å; Y1108-Y1151 HydrophobicContact CD2-CD1 4.46Å; W1109-Y1151 VanDerWaalsContact C-CD1 3.42Å; W1109-Y1151 WeakPolarHBondContact O-CA 3.23Å; W1109-Y1151 WeakPolarHBondContact O-CD1 3.48Å; P1110-Y1151 HydrophobicContact CB-CD1 4.48Å; P1110-Y1151 HydrophobicContact CB-CE1 4.08Å; L1145-Y1151 HydrophobicContact CB-CE2 3.8Å; L1145-Y1151 HydrophobicContact CD1-CD2 4.21Å; L1145-Y1151 HydrophobicContact CD1-CE2 4.17Å; L1145-Y1151 HydrophobicContact CD2-CD1 4.24Å; L1145-Y1151 HydrophobicContact CD2-CE1 3.73Å; L1145-Y1151 HydrophobicContact CD2-CE2 4.29Å; L1145-Y1151 HydrophobicContact CG-CE2 4.31Å; D1146-Y1151 PolarHBondContact N-OH 2.95Å; T1149-Y1151 HydrophobicContact CG2-CD2 4.34Å; T1149-Y1151 HydrophobicContact CG2-CE2 3.78Å; T1149-Y1151 WeakPolarHBondContact O-CD2 3.31Å; Y1151-E1171 WeakPolarHBondContact O-CA 3.28Å; Y1151-Q1172 PolarHBondContact N-O 3.07Å; Y1151-Q1172 PolarHBondContact O-N 3.42Å; Y1151-T1174 HydrophobicContact CD2-CG2 4.21Å; Y1151-T1174 HydrophobicContact CE2-CG2 4.03Å |
| 1152 | C | 92.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 136.1 | 168 | -61.1 | 0 | 0 | 0 | 0 | 109.2 | Y1108 W1109 C1115 | Y1108-C1152 VanDerWaalsContact CA-O 3.25Å; Y1108-C1152 WeakPolarHBondContact CA-O 3.41Å; W1109-C1152 HydrophobicContact CD2-CB 4Å; W1109-C1152 VanDerWaalsContact CE2-CB 3.43Å; W1109-C1152 HydrophobicContact CG-CB 4.46Å; W1109-C1152 HydrophobicContact CH2-CB 4.2Å; W1109-C1152 HydrophobicContact CZ2-CB 3.56Å; W1109-C1152 PolarHBondContact N-O 3.14Å; W1109-C1152 PolarHBondContact O-N 2.78Å; C1115-C1152 WeakPolarHBondContact CA-SG 3.41Å; C1115-C1152 HydrophobicContact CB-CB 3.77Å; C1115-C1152 WeakPolarHBondContact CB-SG 3.34Å; C1115-C1152 VanDerWaalsContact SG-CA 3.55Å; C1115-C1152 WeakPolarHBondContact SG-CB 3.43Å; C1115-C1152 CovalentContact SG-SG 2.03Å; C1115-C1152 PolarHBondContact SG-SG 2.6Å |
| 1153 | I | 93.3 | Very high | 87 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 134.3 | -172.6 | -56.8 | 168.7 | 0 | 0 | 0 | 110.8 | A1077 I1085 V1087 I1106 L1107 I1142 F1169 T1170 Q1172 | A1077-I1153 HydrophobicContact CB-CD1 3.75Å; I1085-I1153 HydrophobicContact CD1-CD1 4.4Å; I1085-I1153 HydrophobicContact CG2-CD1 3.69Å; V1087-I1153 HydrophobicContact CG1-CG2 3.94Å; V1087-I1153 HydrophobicContact CG2-CD1 4.03Å; V1087-I1153 HydrophobicContact CG2-CG2 3.96Å; I1106-I1153 HydrophobicContact CG2-CG2 3.81Å; L1107-I1153 CarbonylContact O-C 3.56Å; L1107-I1153 VanDerWaalsContact O-CA 3.28Å; L1107-I1153 WeakPolarHBondContact O-CA 3.48Å; I1142-I1153 HydrophobicContact CD1-CD1 4.05Å; I1142-I1153 HydrophobicContact CD1-CG1 4.33Å; I1153-F1169 WeakPolarHBondContact O-CA 3.46Å; I1153-T1170 HydrophobicContact CB-CG2 3.86Å; I1153-T1170 HydrophobicContact CG2-CG2 4.32Å; I1153-T1170 PolarHBondContact N-O 2.92Å; I1153-T1170 PolarHBondContact O-N 3.07Å; I1153-Q1172 HydrophobicContact CD1-CB 4.37Å |
| 1154 | A | 92.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 155.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1106 L1107 F1169 | I1106-A1154 WeakPolarHBondContact CA-O 3.39Å; L1107-A1154 HydrophobicContact CB-CB 4.46Å; L1107-A1154 PolarHBondContact N-O 2.75Å; L1107-A1154 PolarHBondContact O-N 3.28Å; A1154-F1169 HydrophobicContact CB-CD1 3.81Å; A1154-F1169 HydrophobicContact CB-CE1 3.98Å |
| 1155 | V | 93.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 129.7 | 177.5 | -175.1 | 0 | 0 | 0 | 0 | 110 | P1072 V1075 V1087 W1089 Y1104 R1105 S1167 | P1072-V1155 HydrophobicContact CG-CG1 4.28Å; V1075-V1155 HydrophobicContact CG1-CG2 3.74Å; V1075-V1155 HydrophobicContact CG2-CB 4.17Å; V1075-V1155 HydrophobicContact CG2-CG2 4.15Å; V1087-V1155 HydrophobicContact CG1-CG2 4.18Å; W1089-V1155 HydrophobicContact CD2-CB 4.46Å; W1089-V1155 HydrophobicContact CD2-CG1 3.82Å; W1089-V1155 HydrophobicContact CD2-CG2 4.14Å; W1089-V1155 HydrophobicContact CE3-CG1 4.14Å; W1089-V1155 HydrophobicContact CE3-CG2 3.73Å; W1089-V1155 HydrophobicContact CG-CG1 4.1Å; W1089-V1155 HydrophobicContact CZ2-CG1 4.43Å; W1089-V1155 HydrophobicContact CZ3-CG2 4.25Å; Y1104-V1155 HydrophobicContact CD1-CG1 4.04Å; Y1104-V1155 HydrophobicContact CG-CG1 4.32Å; R1105-V1155 WeakPolarHBondContact O-CA 3.26Å; V1155-S1167 PolarHBondContact N-OG 2.86Å; V1155-S1167 VanDerWaalsContact O-CB 3.26Å; V1155-S1167 WeakPolarHBondContact O-CB 3.38Å; V1155-S1167 PolarHBondContact O-N 3.42Å; V1155-S1167 PolarHBondContact O-OG 2.95Å |
| 1156 | Q | 91.1 | Very high | 86.7 | Confident | 17 Ų | 17 | 33.8 Ų | 33.8 | 8% | 0.079 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 143.6 | 172.8 | 62.5 | 178.7 | -10.6 | 0 | 0 | 110.9 | Y1104 R1105 L1107 E1166 | Y1104-Q1156 CarbonylContact C-O 3.56Å; Y1104-Q1156 VanDerWaalsContact CA-O 3.22Å; Y1104-Q1156 WeakPolarHBondContact CA-O 3.34Å; R1105-Q1156 HydrophobicContact CB-CG 3.73Å; R1105-Q1156 HydrophobicContact CG-CG 4.25Å; R1105-Q1156 PolarHBondContact N-O 2.74Å; R1105-Q1156 PolarHBondContact O-N 2.88Å; L1107-Q1156 HydrophobicContact CD1-CG 4.5Å; Q1156-E1166 HydrophobicContact CB-CG 4.32Å |
| 1157 | I | 89.5 | Confident | 86.9 | Confident | 6 Ų | 6 | 29.1 Ų | 29.1 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 148.5 | 170.9 | -174.6 | 166 | 0 | 0 | 0 | 109.9 | P1068 N1070 P1072 P1092 T1101 Y1104 G1164 | P1068-I1157 HydrophobicContact CB-CG2 3.76Å; P1068-I1157 HydrophobicContact CG-CG2 4.28Å; N1070-I1157 WeakPolarHBondContact O-CG2 3.43Å; P1072-I1157 HydrophobicContact CG-CB 4.08Å; P1092-I1157 HydrophobicContact CG-CB 4.49Å; P1092-I1157 HydrophobicContact CG-CD1 3.47Å; P1092-I1157 VanDerWaalsContact CG-CD1 3.47Å; P1092-I1157 HydrophobicContact CG-CG2 4.36Å; T1101-I1157 HydrophobicContact CG2-CD1 3.66Å; T1101-I1157 HydrophobicContact CG2-CG1 3.69Å; Y1104-I1157 HydrophobicContact CD1-CB 4.19Å; Y1104-I1157 HydrophobicContact CD1-CG1 4.48Å; Y1104-I1157 HydrophobicContact CE1-CB 4.08Å; Y1104-I1157 HydrophobicContact CE1-CD1 4.28Å; Y1104-I1157 HydrophobicContact CE1-CG1 4.1Å; I1157-G1164 PolarHBondContact O-N 3.04Å |
| 1158 | F | 88.8 | Confident | 86.8 | Confident | 10 Ų | 10 | 31 Ų | 31 | 4% | 0.044 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 153.6 | 169.2 | 74.9 | -83.5 | 0 | 0 | 0 | 112.3 | W1102 G1103 R1105 T1132 H1134 G1162 | W1102-F1158 HydrophobicContact CB-CD2 3.93Å; W1102-F1158 HydrophobicContact CB-CE2 3.57Å; W1102-F1158 HydrophobicContact CB-CZ 4.21Å; W1102-F1158 HydrophobicContact CE3-CE2 4.4Å; W1102-F1158 PolarHBondContact N-O 3.07Å; G1103-F1158 VanDerWaalsContact C-CD1 3.44Å; G1103-F1158 PolarHBondContact N-O 3.45Å; G1103-F1158 VanDerWaalsContact O-CD1 3.22Å; G1103-F1158 WeakPolarHBondContact O-CD1 3.48Å; G1103-F1158 PolarHBondContact O-N 2.8Å; R1105-F1158 HydrophobicContact CG-CD1 3.8Å; R1105-F1158 HydrophobicContact CG-CE1 3.99Å; T1132-F1158 HydrophobicContact CG2-CE1 3.83Å; T1132-F1158 HydrophobicContact CG2-CZ 3.84Å; H1134-F1158 AromaticContact CE1-CZ 3.93Å; H1134-F1158 AromaticContact ND1-CZ 3.84Å; F1158-G1162 WeakPolarHBondContact CA-O 3.45Å; F1158-G1162 WeakPolarHBondContact CB-O 3.12Å |
| 1159 | N | 83.7 | Confident | 86.7 | Confident | 8 Ų | 8 | 29.3 Ų | 29.3 | 4% | 0.043 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | -166.9 | 172 | 70.4 | 6.1 | 0 | 0 | 0 | 110 | R1066 P1068 E1098 P1100 A1161 G1162 | R1066-N1159 PolarHBondContact O-ND2 3.21Å; P1068-N1159 WeakPolarHBondContact CD-OD1 3.23Å; P1068-N1159 HydrophobicContact CG-CB 4.14Å; E1098-N1159 PolarHBondContact O-ND2 2.93Å; P1100-N1159 WeakPolarHBondContact O-CB 3.45Å; N1159-A1161 PolarHBondContact O-N 2.84Å; N1159-A1161 WeakPolarHBondContact OD1-CA 3.35Å; N1159-A1161 VanDerWaalsContact OD1-CB 3.31Å; N1159-A1161 WeakPolarHBondContact OD1-CB 3.18Å; N1159-A1161 PolarHBondContact OD1-N 3.4Å; N1159-G1162 PolarHBondContact N-O 3.04Å; N1159-G1162 VanDerWaalsContact N-O 3.12Å; N1159-G1162 PolarHBondContact O-N 3.24Å; N1159-G1162 PolarHBondContact OD1-N 3.19Å |
| 1160 | S | 74.3 | Confident | 86.7 | Confident | 30 Ų | 30 | 28.8 Ų | 28.8 | 21% | 0.21 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -61.1 | -24.3 | 177.2 | 44.3 | 0 | 0 | 0 | 0 | 114.9 | T1065 | T1065-S1160 PolarHBondContact OG1-OG 2.84Š|
| 1161 | A | 69.6 | Low | 86.7 | Confident | 19 Ų | 19 | 27.8 Ų | 27.8 | 16% | 0.157 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -84.3 | -30.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1065 V1067 N1159 | T1065-A1161 WeakPolarHBondContact O-CB 3.06Å; V1067-A1161 HydrophobicContact CB-CB 4.5Å; V1067-A1161 HydrophobicContact CG2-CB 3.85Å; N1159-A1161 PolarHBondContact O-N 2.84Å; N1159-A1161 WeakPolarHBondContact OD1-CA 3.35Å; N1159-A1161 VanDerWaalsContact OD1-CB 3.31Å; N1159-A1161 WeakPolarHBondContact OD1-CB 3.18Å; N1159-A1161 PolarHBondContact OD1-N 3.4Å |
| 1162 | G | 75.7 | Confident | 86.6 | Confident | 22 Ų | 22 | 29.5 Ų | 29.5 | 23% | 0.227 | 17% | 0.17 | C | C | . | . | trans | 153.9 | -161.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | F1158 N1159 | F1158-G1162 WeakPolarHBondContact CA-O 3.45Å; F1158-G1162 WeakPolarHBondContact CB-O 3.12Å; N1159-G1162 PolarHBondContact N-O 3.04Å; N1159-G1162 VanDerWaalsContact N-O 3.12Å; N1159-G1162 PolarHBondContact O-N 3.24Å; N1159-G1162 PolarHBondContact OD1-N 3.19Å | ||
| 1163 | D | 83.3 | Confident | 86.5 | Confident | 68 Ų | 68 | 30.9 Ų | 30.9 | 36% | 0.364 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 126.6 | -176 | -56.4 | -20.4 | 0 | 0 | 0 | 110 | V1067 R1105 | V1067-D1163 WeakPolarHBondContact CG1-O 3.41Å; R1105-D1163 IonicContact CZ-OD1 3.5Å; R1105-D1163 IonicContact CZ-OD2 2.79Å; R1105-D1163 IonicContact NH1-OD1 3.37Å; R1105-D1163 PolarHBondContact NH1-OD1 2.88Å; R1105-D1163 IonicContact NH1-OD2 3.32Å; R1105-D1163 PolarHBondContact NH1-OD2 3.41Å; R1105-D1163 IonicContact NH2-OD1 2.68Å; R1105-D1163 PolarHBondContact NH2-OD1 3.06Å; R1105-D1163 IonicContact NH2-OD2 3.3Å |
| 1164 | G | 84.5 | Confident | 86.4 | Confident | 7 Ų | 7 | 31 Ų | 31 | 7% | 0.072 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 178.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P1068 I1157 | P1068-G1164 WeakPolarHBondContact O-CA 3.42Å; I1157-G1164 PolarHBondContact O-N 3.04Å |
| 1165 | P | 86.9 | Confident | 86.2 | Confident | 54 Ų | 54 | 32.9 Ų | 32.9 | 35% | 0.351 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 152 | -179.7 | 26.6 | -32.9 | 0 | 0 | 0 | 111.9 | P1068 T1069 A1071 | P1068-P1165 WeakPolarHBondContact O-CD 3.19Å; T1069-P1165 VanDerWaalsContact O-CG 3.31Å; T1069-P1165 WeakPolarHBondContact O-CG 3.43Å; A1071-P1165 HydrophobicContact CB-CB 4.2Å; A1071-P1165 HydrophobicContact CB-CG 3.96Å; A1071-P1165 WeakPolarHBondContact CB-O 3.37Å |
| 1166 | E | 87.9 | Confident | 85.9 | Confident | 75 Ų | 75 | 36 Ų | 36 | 35% | 0.35 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 146.3 | 178.7 | -57.2 | 174.9 | 169.2 | 0 | 0 | 111.2 | A1071 L1107 R1124 Q1156 | A1071-E1166 WeakPolarHBondContact CB-O 3.15Å; L1107-E1166 HydrophobicContact CD1-CG 4.21Å; R1124-E1166 IonicContact CZ-OE1 3.01Å; R1124-E1166 IonicContact CZ-OE2 3.02Å; R1124-E1166 IonicContact NH1-OE1 2.76Å; R1124-E1166 IonicContact NH1-OE2 2.68Å; R1124-E1166 PolarHBondContact NH1-OE2 3.45Å; R1124-E1166 IonicContact NH2-OE1 3.41Å; R1124-E1166 PolarHBondContact NH2-OE1 3.44Å; R1124-E1166 IonicContact NH2-OE2 3.91Å; R1124-E1166 PolarHBondContact NH2-OE2 2.87Å; Q1156-E1166 HydrophobicContact CB-CG 4.32Å |
| 1167 | S | 91 | Very high | 85.7 | Confident | 8 Ų | 8 | 36.5 Ų | 36.5 | 6% | 0.056 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 170.6 | 170.3 | 71.8 | 0 | 0 | 0 | 0 | 112.1 | P1072 V1075 V1155 | P1072-S1167 VanDerWaalsContact O-CB 3.24Å; P1072-S1167 WeakPolarHBondContact O-CB 3.31Å; V1075-S1167 VanDerWaalsContact CG2-CB 3.42Å; V1075-S1167 VanDerWaalsContact CG2-OG 3.27Å; V1075-S1167 WeakPolarHBondContact CG2-OG 3.34Å; V1155-S1167 PolarHBondContact N-OG 2.86Å; V1155-S1167 VanDerWaalsContact O-CB 3.26Å; V1155-S1167 WeakPolarHBondContact O-CB 3.38Å; V1155-S1167 PolarHBondContact O-N 3.42Å; V1155-S1167 PolarHBondContact O-OG 2.95Å |
| 1168 | S | 84.9 | Confident | 85.4 | Confident | 74 Ų | 74 | 37 Ų | 37 | 52% | 0.517 | 21% | 0.211 | S | C | . | . | P | Polyproline II helix | trans | -57.8 | 150.2 | 161 | 56.9 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1169 | F | 86.1 | Confident | 85.2 | Confident | 51 Ų | 51 | 36.6 Ų | 36.6 | 22% | 0.224 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 140.2 | 175.3 | -53 | -58.9 | 0 | 0 | 0 | 112.1 | W1109 C1115 R1116 I1153 A1154 | W1109-F1169 AromaticContact CH2-CD1 3.81Å; W1109-F1169 HydrophobicContact CH2-CD1 3.81Å; W1109-F1169 AromaticContact CH2-CE1 3.67Å; W1109-F1169 HydrophobicContact CH2-CE1 3.67Å; W1109-F1169 HydrophobicContact CZ2-CD1 4.34Å; W1109-F1169 HydrophobicContact CZ2-CE1 4.3Å; C1115-F1169 HydrophobicContact CB-CB 4.19Å; R1116-F1169 HydrophobicContact CG-CD2 4.1Å; I1153-F1169 WeakPolarHBondContact O-CA 3.46Å; A1154-F1169 HydrophobicContact CB-CD1 3.81Å; A1154-F1169 HydrophobicContact CB-CE1 3.98Å |
| 1170 | T | 88.9 | Confident | 85.2 | Confident | 29 Ų | 29 | 44 Ų | 44 | 18% | 0.178 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 153 | 164.9 | -163.5 | 0 | 0 | 0 | 0 | 109 | V1075 A1077 I1153 | V1075-T1170 HydrophobicContact CG1-CG2 3.82Å; A1077-T1170 HydrophobicContact CB-CG2 3.9Å; I1153-T1170 HydrophobicContact CB-CG2 3.86Å; I1153-T1170 HydrophobicContact CG2-CG2 4.32Å; I1153-T1170 PolarHBondContact N-O 2.92Å; I1153-T1170 PolarHBondContact O-N 3.07Å |
| 1171 | E | 89.1 | Confident | 85.6 | Confident | 93 Ų | 93 | 46.3 Ų | 46.3 | 44% | 0.435 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 142.6 | 178.8 | 62.5 | 176.4 | -161.9 | 0 | 0 | 111.1 | R1111 Y1151 | R1111-E1171 IonicContact CZ-OE2 2.7Å; R1111-E1171 IonicContact NH1-OE1 3.52Å; R1111-E1171 PolarHBondContact NH1-OE1 2.89Å; R1111-E1171 IonicContact NH1-OE2 3.82Å; R1111-E1171 PolarHBondContact NH1-OE2 2.82Å; Y1151-E1171 WeakPolarHBondContact O-CA 3.28Å |
| 1172 | Q | 92.3 | Very high | 86.4 | Confident | 49 Ų | 49 | 49.1 Ų | 49.1 | 23% | 0.229 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 137.3 | 177.6 | -177.1 | 59.1 | 48.3 | 0 | 0 | 110.8 | A1077 I1085 Y1151 I1153 | A1077-Q1172 HydrophobicContact CB-CB 3.68Å; A1077-Q1172 HydrophobicContact CB-CG 4.15Å; A1077-Q1172 PolarHBondContact O-OE1 3.12Å; I1085-Q1172 HydrophobicContact CD1-CB 4.17Å; I1085-Q1172 HydrophobicContact CD1-CG 4.14Å; I1085-Q1172 HydrophobicContact CG1-CG 4.2Å; I1085-Q1172 HydrophobicContact CG2-CB 4.12Å; I1085-Q1172 HydrophobicContact CG2-CG 3.84Å; Y1151-Q1172 PolarHBondContact N-O 3.07Å; Y1151-Q1172 PolarHBondContact O-N 3.42Å; I1153-Q1172 HydrophobicContact CD1-CB 4.37Å |
| 1173 | T | 90.4 | Very high | 87 | Confident | 28 Ų | 28 | 48.1 Ų | 48.1 | 17% | 0.172 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 139.3 | 172.7 | -27 | 0 | 0 | 0 | 0 | 109.9 | A1079 T1149 Y1150 | A1079-T1173 VanDerWaalsContact CB-O 3.27Å; A1079-T1173 WeakPolarHBondContact CB-O 3.37Å; T1149-T1173 WeakPolarHBondContact O-CA 3.43Å; T1149-T1173 WeakPolarHBondContact O-CG2 3.42Å; Y1150-T1173 HydrophobicContact CD1-CG2 4.24Å; Y1150-T1173 WeakPolarHBondContact CD1-OG1 3.37Å; Y1150-T1173 HydrophobicContact CD2-CG2 3.75Å; Y1150-T1173 HydrophobicContact CE1-CG2 4.29Å; Y1150-T1173 WeakPolarHBondContact CE1-OG1 3.43Å; Y1150-T1173 HydrophobicContact CE2-CG2 3.79Å; Y1150-T1173 HydrophobicContact CG-CG2 3.98Å; Y1150-T1173 VanDerWaalsContact CZ-OG1 3.27Å |
| 1174 | T | 90.5 | Very high | 87.2 | Confident | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.025 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -67 | 157.7 | 162.6 | 52.6 | 0 | 0 | 0 | 0 | 110.5 | I1085 L1145 D1146 D1148 T1149 Y1151 | I1085-T1174 HydrophobicContact CD1-CG2 3.99Å; I1085-T1174 HydrophobicContact CG1-CG2 3.99Å; L1145-T1174 HydrophobicContact CB-CG2 3.8Å; L1145-T1174 HydrophobicContact CD1-CG2 3.93Å; D1146-T1174 PolarHBondContact O-OG1 3.29Å; D1148-T1174 PolarHBondContact N-OG1 3.05Å; D1148-T1174 VanDerWaalsContact N-OG1 3.09Å; T1149-T1174 PolarHBondContact N-OG1 3.04Å; T1149-T1174 PolarHBondContact O-N 3.43Å; T1149-T1174 PolarHBondContact O-OG1 3.25Å; Y1151-T1174 HydrophobicContact CD2-CG2 4.21Å; Y1151-T1174 HydrophobicContact CE2-CG2 4.03Å |
| 1175 | F | 89.3 | Confident | 87.1 | Confident | 38 Ų | 38 | 54.4 Ų | 54.4 | 17% | 0.167 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 160.7 | 172.6 | -71.9 | -62.4 | 0 | 0 | 0 | 112.2 | A1079 N1081 C1082 D1148 E1211 R1262 | A1079-F1175 HydrophobicContact CB-CD1 4.17Å; A1079-F1175 HydrophobicContact CB-CD2 3.57Å; A1079-F1175 HydrophobicContact CB-CE1 3.97Å; A1079-F1175 HydrophobicContact CB-CE2 3.39Å; A1079-F1175 HydrophobicContact CB-CG 3.98Å; A1079-F1175 HydrophobicContact CB-CZ 3.59Å; A1079-F1175 VanDerWaalsContact O-CE2 3.26Å; A1079-F1175 WeakPolarHBondContact O-CE2 3.42Å; N1081-F1175 PolarHBondContact O-N 2.83Å; C1082-F1175 WeakPolarHBondContact CA-O 3.46Å; D1148-F1175 PolarHBondContact N-O 2.51Å; D1148-F1175 VanDerWaalsContact N-O 3.08Å; F1175-E1211 HydrophobicContact CB-CG 3.88Å; F1175-E1211 HydrophobicContact CD1-CG 4.36Å; F1175-E1211 HydrophobicContact CG-CG 4.42Å; F1175-R1262 HydrophobicContact CD1-CB 3.79Å; F1175-R1262 HydrophobicContact CD2-CB 4.02Å; F1175-R1262 WeakPolarHBondContact CD2-O 3.25Å; F1175-R1262 HydrophobicContact CE1-CB 3.75Å; F1175-R1262 HydrophobicContact CE1-CG 4.33Å; F1175-R1262 HydrophobicContact CE2-CB 3.93Å; F1175-R1262 HydrophobicContact CG-CB 3.94Å; F1175-R1262 HydrophobicContact CZ-CB 3.81Å; F1175-R1262 HydrophobicContact CZ-CG 4.27Å |
| 1176 | K | 86.3 | Confident | 87.1 | Confident | 65 Ų | 65 | 52.3 Ų | 52.3 | 28% | 0.283 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 169.9 | 166.9 | -71 | 178.9 | 176 | -174 | 0 | 111.1 | C1082 D1148 P1208 E1211 G1263 | C1082-K1176 WeakPolarHBondContact CB-O 3.31Å; D1148-K1176 HydrophobicContact CB-CG 4.1Å; D1148-K1176 WeakPolarHBondContact OD1-CG 3.36Å; K1176-P1208 PolarHBondContact NZ-O 2.64Å; K1176-E1211 HydrophobicContact CB-CG 3.86Å; K1176-E1211 PolarHBondContact N-OE1 3.1Å; K1176-G1263 WeakPolarHBondContact O-CA 2.89Å |
| 1177 | T | 86.6 | Confident | 87 | Confident | 28 Ų | 28 | 51.2 Ų | 51.2 | 17% | 0.172 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -62.5 | 151.3 | -179.1 | 59.2 | 0 | 0 | 0 | 0 | 112.1 | A1147 N1209 E1210 E1211 | A1147-T1177 HydrophobicContact CB-CG2 3.68Å; T1177-N1209 PolarHBondContact N-O 3.05Å; T1177-N1209 PolarHBondContact OG1-O 3.49Å; T1177-E1210 CarbonylContact O-C 3.52Å; T1177-E1210 VanDerWaalsContact O-CA 3.23Å; T1177-E1210 WeakPolarHBondContact O-CA 3.43Å; T1177-E1211 PolarHBondContact O-N 2.85Å |
| 1178 | A | 84.5 | Confident | 86.8 | Confident | 18 Ų | 18 | 51.5 Ų | 51.5 | 15% | 0.149 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 155.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | R1180 | A1178-R1180 PolarHBondContact O-N 2.86Š|
| 1179 | P | 83 | Confident | 86.6 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 121.5 | -178 | -23.6 | 31.8 | 0 | 0 | 0 | 111.8 | I1204 V1213 S1261 G1266 T1267 | P1179-I1204 HydrophobicContact CB-CD1 3.45Å; P1179-I1204 VanDerWaalsContact CB-CD1 3.45Å; P1179-I1204 HydrophobicContact CB-CG1 4.44Å; P1179-I1204 HydrophobicContact CG-CD1 4.23Å; P1179-V1213 HydrophobicContact CB-CG2 4.36Å; P1179-V1213 HydrophobicContact CG-CG2 3.8Å; P1179-S1261 WeakPolarHBondContact CD-OG 3.38Å; P1179-G1266 WeakPolarHBondContact O-CA 3.32Å; P1179-T1267 PolarHBondContact O-N 2.9Å; P1179-T1267 VanDerWaalsContact O-N 3.16Å |
| 1180 | R | 83.6 | Confident | 86.1 | Confident | 162 Ų | 162 | 52.4 Ų | 52.4 | 61% | 0.611 | 27% | 0.269 | S | S | * | . | trans | -86.6 | -25 | -179.4 | -65.4 | -173.2 | 175.1 | -165.6 | -0.8 | 112.9 | A1178 E1210 T1267 | A1178-R1180 PolarHBondContact O-N 2.86Å; R1180-E1210 VanDerWaalsContact CB-OE1 3.27Å; R1180-E1210 WeakPolarHBondContact CB-OE1 3.45Å; R1180-E1210 WeakPolarHBondContact CG-OE1 3.4Å; R1180-E1210 PolarHBondContact N-OE1 3.34Å; R1180-T1267 WeakPolarHBondContact CA-OG1 3.4Å; R1180-T1267 VanDerWaalsContact O-CB 3.25Å; R1180-T1267 WeakPolarHBondContact O-CB 3.5Å; R1180-T1267 PolarHBondContact O-OG1 2.81Å | ||
| 1181 | E | 84.3 | Confident | 85.4 | Confident | 79 Ų | 79 | 52.2 Ų | 52.2 | 37% | 0.369 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -67.1 | 145.1 | 168.2 | -81.3 | -179 | -165.8 | 0 | 0 | 110.6 | I1204 R1207 | E1181-I1204 HydrophobicContact CB-CB 4.23Å; E1181-I1204 HydrophobicContact CB-CG2 4.07Å; E1181-I1204 WeakPolarHBondContact O-CD1 3.18Å; E1181-R1207 IonicContact OE1-CZ 3.2Å; E1181-R1207 IonicContact OE1-NE 2.67Å; E1181-R1207 PolarHBondContact OE1-NE 3.32Å; E1181-R1207 IonicContact OE1-NH2 3.73Å; E1181-R1207 PolarHBondContact OE1-NH2 2.87Å |
| 1182 | F | 86.4 | Confident | 84.5 | Confident | 79 Ų | 79 | 50.6 Ų | 50.6 | 35% | 0.346 | 28% | 0.276 | S | S | . | . | trans | -109 | 147.7 | 179.1 | 53.5 | -96 | 0 | 0 | 0 | 110.4 | T1184 I1204 T1267 | F1182-T1184 HydrophobicContact CD2-CG2 4.17Å; F1182-T1184 HydrophobicContact CE2-CG2 4Å; F1182-T1184 PolarHBondContact O-N 2.77Å; F1182-I1204 WeakPolarHBondContact O-CG2 3.21Å; F1182-T1267 HydrophobicContact CB-CG2 4.36Å; F1182-T1267 WeakPolarHBondContact CB-O 3.47Å; F1182-T1267 HydrophobicContact CD1-CG2 4.27Å | ||
| 1183 | P | 87.2 | Confident | 83.5 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -55.6 | 128 | 174.2 | -25.6 | 35 | 0 | 0 | 0 | 111.6 | W1201 V1202 I1204 Y1216 V1257 S1269 | P1183-W1201 HydrophobicContact CB-CB 4.18Å; P1183-W1201 HydrophobicContact CB-CG 4.08Å; P1183-V1202 WeakPolarHBondContact CA-O 3.44Å; P1183-I1204 HydrophobicContact CG-CG2 4.45Å; P1183-Y1216 HydrophobicContact CG-CD1 3.97Å; P1183-Y1216 HydrophobicContact CG-CE1 3.91Å; P1183-V1257 HydrophobicContact CB-CB 4.37Å; P1183-V1257 HydrophobicContact CB-CG1 4.3Å; P1183-V1257 HydrophobicContact CG-CB 4.4Å; P1183-V1257 HydrophobicContact CG-CG1 4.11Å; P1183-S1269 VanDerWaalsContact O-CB 3.3Å; P1183-S1269 WeakPolarHBondContact O-CB 3.34Å | ||
| 1184 | T | 86.9 | Confident | 82.7 | Confident | 65 Ų | 65 | 54.2 Ų | 54.2 | 40% | 0.399 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 170.4 | -178.6 | 59.1 | 0 | 0 | 0 | 0 | 111.1 | F1182 V1186 V1202 | F1182-T1184 HydrophobicContact CD2-CG2 4.17Å; F1182-T1184 HydrophobicContact CE2-CG2 4Å; F1182-T1184 PolarHBondContact O-N 2.77Å; T1184-V1186 PolarHBondContact O-N 2.94Å; T1184-V1202 PolarHBondContact N-O 2.83Å; T1184-V1202 PolarHBondContact O-N 2.9Å |
| 1185 | M | 83.3 | Confident | 82.4 | Confident | 143 Ų | 143 | 56.4 Ų | 56.4 | 70% | 0.704 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.8 | 41.2 | -178.9 | -58 | -172.3 | 69.3 | 0 | 0 | 113.7 | T1187 V1202 | M1185-T1187 PolarHBondContact O-N 3.43Å; M1185-T1187 VanDerWaalsContact O-N 3.13Å; M1185-V1202 HydrophobicContact CB-CG2 3.94Å; M1185-V1202 HydrophobicContact CG-CG2 4.2Å; M1185-V1202 HydrophobicContact SD-CG2 3.97Å |
| 1186 | V | 87.3 | Confident | 82.2 | Confident | 10 Ų | 10 | 55.5 Ų | 55.5 | 6% | 0.061 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 116.7 | 173.4 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | T1184 V1199 S1200 W1201 L1255 V1257 | T1184-V1186 PolarHBondContact O-N 2.94Å; V1186-V1199 HydrophobicContact CG1-CG1 3.99Å; V1186-S1200 CarbonylContact C-O 3.46Å; V1186-S1200 WeakPolarHBondContact CA-O 3.26Å; V1186-W1201 HydrophobicContact CG2-CB 4.04Å; V1186-L1255 HydrophobicContact CG1-CD2 4.18Å; V1186-V1257 HydrophobicContact CG1-CG2 4.04Å; V1186-V1257 HydrophobicContact CG2-CB 4.44Å; V1186-V1257 HydrophobicContact CG2-CG2 4.24Å |
| 1187 | T | 85 | Confident | 82.3 | Confident | 51 Ų | 51 | 52.4 Ų | 52.4 | 31% | 0.313 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 136.9 | -175.4 | 44.1 | 0 | 0 | 0 | 0 | 109.6 | M1185 V1199 S1200 | M1185-T1187 PolarHBondContact O-N 3.43Å; M1185-T1187 VanDerWaalsContact O-N 3.13Å; T1187-V1199 WeakPolarHBondContact O-CA 3.3Å; T1187-S1200 PolarHBondContact N-O 2.9Å; T1187-S1200 PolarHBondContact O-N 2.98Å; T1187-S1200 PolarHBondContact OG1-O 2.81Å; T1187-S1200 VanDerWaalsContact OG1-O 3.04Å; T1187-S1200 PolarHBondContact OG1-OG 2.77Å |
| 1188 | L | 86.7 | Confident | 82.4 | Confident | 14 Ų | 14 | 54.6 Ų | 54.6 | 7% | 0.073 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 112.3 | -179.1 | -59 | 177.4 | 0 | 0 | 0 | 109.2 | I1197 V1199 L1255 N1273 F1275 N1297 I1299 | L1188-I1197 HydrophobicContact CD2-CD1 4.11Å; L1188-V1199 HydrophobicContact CD2-CB 4.2Å; L1188-V1199 HydrophobicContact CD2-CG1 3.91Å; L1188-V1199 HydrophobicContact CD2-CG2 3.73Å; L1188-L1255 HydrophobicContact CD2-CD1 4.09Å; L1188-L1255 HydrophobicContact CD2-CD2 4.2Å; L1188-N1273 HydrophobicContact CD1-CB 4.07Å; L1188-F1275 HydrophobicContact CD1-CB 3.76Å; L1188-F1275 HydrophobicContact CD1-CD1 3.64Å; L1188-F1275 HydrophobicContact CD1-CG 3.91Å; L1188-N1297 HydrophobicContact CD1-CB 4.42Å; L1188-I1299 HydrophobicContact CB-CD1 3.94Å |
| 1189 | N | 80.7 | Confident | 82.8 | Confident | 84 Ų | 84 | 53.7 Ų | 53.7 | 45% | 0.449 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 138.8 | 179.8 | -70.7 | -13.7 | 0 | 0 | 0 | 111 | R1198 | N1189-R1198 HydrophobicContact CB-CB 4.48Å; N1189-R1198 PolarHBondContact N-O 3.02Å; N1189-R1198 PolarHBondContact O-N 3.35Å |
| 1190 | A | 75.6 | Confident | 83.2 | Confident | 61 Ų | 61 | 54.6 Ų | 54.6 | 50% | 0.504 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 142.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | I1299 | A1190-I1299 HydrophobicContact CB-CG2 3.76Å |
| 1191 | T | 75.5 | Confident | 83.7 | Confident | 24 Ų | 24 | 47.5 Ų | 47.5 | 15% | 0.147 | 27% | 0.27 | C | S | . | . | trans | -107.1 | 162.1 | 171.1 | 73.4 | 0 | 0 | 0 | 0 | 110.6 | I1193 T1196 R1198 Y1243 | T1191-I1193 PolarHBondContact O-N 3.5Å; T1191-I1193 PolarHBondContact OG1-N 3.08Å; T1191-I1193 PolarHBondContact OG1-O 2.7Å; T1191-T1196 HydrophobicContact CG2-CG2 4.45Å; T1191-T1196 PolarHBondContact OG1-O 2.65Å; T1191-R1198 HydrophobicContact CG2-CB 3.81Å; T1191-Y1243 HydrophobicContact CG2-CD1 4.08Å; T1191-Y1243 HydrophobicContact CG2-CE1 4.12Å | ||
| 1192 | G | 68.7 | Low | 83.8 | Confident | 60 Ų | 60 | 47 Ų | 47 | 62% | 0.619 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -67.3 | -11.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1193 | I | 71.7 | Confident | 83.8 | Confident | 106 Ų | 106 | 44.8 Ų | 44.8 | 54% | 0.544 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -90.9 | 127.2 | -177 | -56.8 | 172.9 | 0 | 0 | 0 | 108.5 | T1191 N1195 T1196 | T1191-I1193 PolarHBondContact O-N 3.5Å; T1191-I1193 PolarHBondContact OG1-N 3.08Å; T1191-I1193 PolarHBondContact OG1-O 2.7Å; I1193-N1195 PolarHBondContact O-N 2.92Å; I1193-T1196 PolarHBondContact O-N 2.93Å |
| 1194 | P | 73.9 | Confident | 83.9 | Confident | 47 Ų | 47 | 45.6 Ų | 45.6 | 31% | 0.305 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 141.4 | 179 | -23.8 | 31.7 | 0 | 0 | 0 | 111.9 | T1196 | P1194-T1196 PolarHBondContact O-N 2.85Å; P1194-T1196 VanDerWaalsContact O-N 3.12Å; P1194-T1196 PolarHBondContact O-OG1 2.82Å |
| 1195 | N | 84.2 | Confident | 83.6 | Confident | 50 Ų | 50 | 50.4 Ų | 50.4 | 27% | 0.267 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 24 | 174.2 | -58.2 | -13.4 | 0 | 0 | 0 | 115 | I1193 D1246 L1247 K1301 | I1193-N1195 PolarHBondContact O-N 2.92Å; N1195-D1246 PolarHBondContact O-N 3.32Å; N1195-L1247 VanDerWaalsContact CB-O 3.26Å; N1195-L1247 WeakPolarHBondContact CB-O 3.32Å; N1195-L1247 PolarHBondContact O-N 3.32Å; N1195-K1301 WeakPolarHBondContact OD1-CE 3.37Å |
| 1196 | T | 84.3 | Confident | 83.5 | Confident | 18 Ų | 18 | 45.3 Ų | 45.3 | 11% | 0.11 | 27% | 0.274 | C | S | . | . | trans | -128.8 | 133.8 | -177.4 | -55.5 | 0 | 0 | 0 | 0 | 110.6 | T1191 I1193 P1194 Y1243 V1244 | T1191-T1196 HydrophobicContact CG2-CG2 4.45Å; T1191-T1196 PolarHBondContact OG1-O 2.65Å; I1193-T1196 PolarHBondContact O-N 2.93Å; P1194-T1196 PolarHBondContact O-N 2.85Å; P1194-T1196 VanDerWaalsContact O-N 3.12Å; P1194-T1196 PolarHBondContact O-OG1 2.82Å; T1196-Y1243 HydrophobicContact CG2-CD1 4.47Å; T1196-V1244 VanDerWaalsContact CA-O 3.31Å; T1196-V1244 WeakPolarHBondContact CA-O 3.38Å | ||
| 1197 | I | 88.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 146.9 | 176.7 | 69.1 | 176.7 | 0 | 0 | 0 | 110.3 | L1188 V1199 Y1243 V1244 L1247 L1255 F1275 I1277 I1299 | L1188-I1197 HydrophobicContact CD2-CD1 4.11Å; I1197-V1199 HydrophobicContact CD1-CG2 4.36Å; I1197-V1199 HydrophobicContact CG1-CG2 4.3Å; I1197-Y1243 WeakPolarHBondContact O-CA 3.41Å; I1197-V1244 HydrophobicContact CD1-CB 4.39Å; I1197-V1244 HydrophobicContact CG1-CB 3.88Å; I1197-V1244 HydrophobicContact CG1-CG2 4.33Å; I1197-V1244 PolarHBondContact N-O 3.02Å; I1197-V1244 PolarHBondContact O-N 3.11Å; I1197-L1247 HydrophobicContact CB-CD1 4.48Å; I1197-L1247 HydrophobicContact CD1-CD1 4.02Å; I1197-L1247 HydrophobicContact CG1-CD1 3.87Å; I1197-L1247 HydrophobicContact CG2-CD1 3.98Å; I1197-L1255 HydrophobicContact CD1-CD1 4.32Å; I1197-F1275 HydrophobicContact CD1-CD1 4.15Å; I1197-F1275 HydrophobicContact CD1-CD2 4Å; I1197-F1275 HydrophobicContact CD1-CE1 3.68Å; I1197-F1275 HydrophobicContact CD1-CE2 3.57Å; I1197-F1275 HydrophobicContact CD1-CG 4.28Å; I1197-F1275 HydrophobicContact CD1-CZ 3.37Å; I1197-I1277 HydrophobicContact CG2-CD1 4.23Å; I1197-I1277 HydrophobicContact CG2-CG1 4.49Å; I1197-I1299 HydrophobicContact CB-CD1 4.3Å; I1197-I1299 HydrophobicContact CD1-CD1 4.4Å; I1197-I1299 HydrophobicContact CG2-CD1 3.72Å; I1197-I1299 HydrophobicContact CG2-CG2 3.94Å |
| 1198 | R | 90 | Very high | 83.1 | Confident | 74 Ų | 74 | 53.7 Ų | 53.7 | 28% | 0.279 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 125 | 170.6 | -176.5 | 177.2 | -179.6 | -87.4 | 2.6 | 108.5 | N1189 T1191 S1200 G1242 Y1243 | N1189-R1198 HydrophobicContact CB-CB 4.48Å; N1189-R1198 PolarHBondContact N-O 3.02Å; N1189-R1198 PolarHBondContact O-N 3.35Å; T1191-R1198 HydrophobicContact CG2-CB 3.81Å; R1198-S1200 PolarHBondContact NH1-OG 2.88Å; R1198-G1242 WeakPolarHBondContact CA-O 3.4Å; R1198-Y1243 HydrophobicContact CB-CD1 3.97Å; R1198-Y1243 HydrophobicContact CB-CE1 3.76Å; R1198-Y1243 HydrophobicContact CG-CD1 4.22Å; R1198-Y1243 HydrophobicContact CG-CE1 3.75Å |
| 1199 | V | 93 | Very high | 83 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 131.4 | 175.8 | -170.1 | 0 | 0 | 0 | 0 | 107.3 | V1186 T1187 L1188 I1197 W1201 I1218 F1241 G1242 V1244 L1255 V1257 | V1186-V1199 HydrophobicContact CG1-CG1 3.99Å; T1187-V1199 WeakPolarHBondContact O-CA 3.3Å; L1188-V1199 HydrophobicContact CD2-CB 4.2Å; L1188-V1199 HydrophobicContact CD2-CG1 3.91Å; L1188-V1199 HydrophobicContact CD2-CG2 3.73Å; I1197-V1199 HydrophobicContact CD1-CG2 4.36Å; I1197-V1199 HydrophobicContact CG1-CG2 4.3Å; V1199-W1201 HydrophobicContact CB-CZ3 4.12Å; V1199-W1201 HydrophobicContact CG1-CE3 3.92Å; V1199-W1201 HydrophobicContact CG1-CZ3 3.89Å; V1199-I1218 HydrophobicContact CB-CD1 3.95Å; V1199-I1218 HydrophobicContact CG1-CD1 4.48Å; V1199-I1218 HydrophobicContact CG2-CD1 4.14Å; V1199-I1218 HydrophobicContact CG2-CG2 4.33Å; V1199-F1241 CarbonylContact O-C 3.52Å; V1199-F1241 WeakPolarHBondContact O-CA 3.23Å; V1199-F1241 WeakPolarHBondContact O-CB 3.08Å; V1199-G1242 PolarHBondContact N-O 3.48Å; V1199-G1242 PolarHBondContact O-N 2.91Å; V1199-V1244 HydrophobicContact CG2-CG2 3.88Å; V1199-L1255 HydrophobicContact CG1-CD2 3.98Å; V1199-L1255 HydrophobicContact CG2-CD1 3.84Å; V1199-V1257 HydrophobicContact CG1-CG2 4.04Å |
| 1200 | S | 90.9 | Very high | 83.3 | Confident | 20 Ų | 20 | 53.6 Ų | 53.6 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149.6 | 172.4 | 36.6 | 0 | 0 | 0 | 0 | 111 | V1186 T1187 R1198 T1240 | V1186-S1200 CarbonylContact C-O 3.46Å; V1186-S1200 WeakPolarHBondContact CA-O 3.26Å; T1187-S1200 PolarHBondContact N-O 2.9Å; T1187-S1200 PolarHBondContact O-N 2.98Å; T1187-S1200 PolarHBondContact OG1-O 2.81Å; T1187-S1200 VanDerWaalsContact OG1-O 3.04Å; T1187-S1200 PolarHBondContact OG1-OG 2.77Å; R1198-S1200 PolarHBondContact NH1-OG 2.88Å; S1200-T1240 WeakPolarHBondContact CA-O 3.11Å |
| 1201 | W | 93.9 | Very high | 83.8 | Confident | 12 Ų | 12 | 52 Ų | 52 | 5% | 0.045 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 169.4 | -178.8 | 56 | 93.6 | 0 | 0 | 0 | 111 | P1183 V1186 V1199 Y1216 I1218 V1236 Q1239 T1240 V1257 | P1183-W1201 HydrophobicContact CB-CB 4.18Å; P1183-W1201 HydrophobicContact CB-CG 4.08Å; V1186-W1201 HydrophobicContact CG2-CB 4.04Å; V1199-W1201 HydrophobicContact CB-CZ3 4.12Å; V1199-W1201 HydrophobicContact CG1-CE3 3.92Å; V1199-W1201 HydrophobicContact CG1-CZ3 3.89Å; W1201-Y1216 AromaticContact CE2-CG 3.98Å; W1201-Y1216 HydrophobicContact CZ2-CD2 4.42Å; W1201-Y1216 AromaticContact CZ2-CG 3.97Å; W1201-Y1216 HydrophobicContact CZ2-CG 3.97Å; W1201-Y1216 AromaticContact NE1-CD1 3.45Å; W1201-Y1216 AromaticContact NE1-CD2 3.8Å; W1201-Y1216 AromaticContact NE1-CE1 3.85Å; W1201-Y1216 AromaticContact NE1-CG 3.44Å; W1201-I1218 HydrophobicContact CH2-CD1 3.95Å; W1201-I1218 HydrophobicContact CH2-CG1 3.78Å; W1201-I1218 HydrophobicContact CZ3-CD1 3.85Å; W1201-I1218 HydrophobicContact CZ3-CG1 3.8Å; W1201-V1236 HydrophobicContact CH2-CG2 3.54Å; W1201-V1236 HydrophobicContact CZ2-CG2 3.6Å; W1201-Q1239 WeakPolarHBondContact CZ2-O 3.45Å; W1201-T1240 PolarHBondContact N-O 3.1Å; W1201-T1240 WeakPolarHBondContact O-CB 3.38Å; W1201-V1257 HydrophobicContact CD2-CB 4.4Å; W1201-V1257 HydrophobicContact CD2-CG1 3.67Å; W1201-V1257 HydrophobicContact CD2-CG2 4.23Å; W1201-V1257 HydrophobicContact CE3-CB 4.47Å; W1201-V1257 HydrophobicContact CE3-CG1 3.98Å; W1201-V1257 HydrophobicContact CE3-CG2 3.83Å; W1201-V1257 HydrophobicContact CG-CG1 4.11Å; W1201-V1257 HydrophobicContact CH2-CG1 4.22Å; W1201-V1257 HydrophobicContact CZ2-CG1 3.92Å; W1201-V1257 HydrophobicContact CZ3-CG1 4.25Å; W1201-V1257 HydrophobicContact CZ3-CG2 4.18Å |
| 1202 | V | 86.6 | Confident | 84.3 | Confident | 70 Ų | 70 | 54.6 Ų | 54.6 | 42% | 0.424 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 128.4 | 167 | 175.2 | 0 | 0 | 0 | 0 | 108.1 | P1183 T1184 M1185 | P1183-V1202 WeakPolarHBondContact CA-O 3.44Å; T1184-V1202 PolarHBondContact N-O 2.83Å; T1184-V1202 PolarHBondContact O-N 2.9Å; M1185-V1202 HydrophobicContact CB-CG2 3.94Å; M1185-V1202 HydrophobicContact CG-CG2 4.2Å; M1185-V1202 HydrophobicContact SD-CG2 3.97Å |
| 1203 | G | 86.3 | Confident | 85.2 | Confident | 31 Ų | 31 | 53 Ų | 53 | 32% | 0.32 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 160.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1216 | G1203-Y1216 WeakPolarHBondContact CA-OH 3.21Š|
| 1204 | I | 89 | Confident | 86.1 | Confident | 17 Ų | 17 | 52.3 Ų | 52.3 | 9% | 0.087 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -101.8 | 155.5 | 176.9 | 63.9 | -174.1 | 0 | 0 | 0 | 110.3 | P1179 E1181 F1182 P1183 V1213 Y1216 | P1179-I1204 HydrophobicContact CB-CD1 3.45Å; P1179-I1204 VanDerWaalsContact CB-CD1 3.45Å; P1179-I1204 HydrophobicContact CB-CG1 4.44Å; P1179-I1204 HydrophobicContact CG-CD1 4.23Å; E1181-I1204 HydrophobicContact CB-CB 4.23Å; E1181-I1204 HydrophobicContact CB-CG2 4.07Å; E1181-I1204 WeakPolarHBondContact O-CD1 3.18Å; F1182-I1204 WeakPolarHBondContact O-CG2 3.21Å; P1183-I1204 HydrophobicContact CG-CG2 4.45Å; I1204-V1213 HydrophobicContact CD1-CG2 4.09Å; I1204-V1213 HydrophobicContact CG1-CG2 3.69Å; I1204-Y1216 HydrophobicContact CG1-CE1 4.24Å; I1204-Y1216 PolarHBondContact N-OH 2.77Å; I1204-Y1216 PolarHBondContact O-OH 3.35Å |
| 1205 | Q | 81.4 | Confident | 86.9 | Confident | 167 Ų | 167 | 50 Ų | 50 | 78% | 0.78 | 27% | 0.273 | S | S | * | . | trans | -107.1 | 133.5 | 168.8 | -67 | -162.8 | -23.3 | 0 | 0 | 109.2 | ||||
| 1206 | A | 81.1 | Confident | 87.4 | Confident | 35 Ų | 35 | 48.1 Ų | 48.1 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | trans | -69.6 | 133 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | E1210 E1211 | A1206-E1210 HydrophobicContact CB-CB 4.19Å; A1206-E1211 WeakPolarHBondContact CB-O 2.96Å | ||
| 1207 | R | 84 | Confident | 87.8 | Confident | 118 Ų | 118 | 47.8 Ų | 47.8 | 45% | 0.445 | 26% | 0.26 | S | S | . | . | trans | -71.8 | 163 | 173.4 | -63.1 | 175.4 | -179.6 | -174.6 | 0.5 | 110.7 | E1181 N1209 E1210 | E1181-R1207 IonicContact OE1-CZ 3.2Å; E1181-R1207 IonicContact OE1-NE 2.67Å; E1181-R1207 PolarHBondContact OE1-NE 3.32Å; E1181-R1207 IonicContact OE1-NH2 3.73Å; E1181-R1207 PolarHBondContact OE1-NH2 2.87Å; R1207-N1209 WeakPolarHBondContact CB-OD1 3.36Å; R1207-N1209 PolarHBondContact O-N 3.48Å; R1207-E1210 HydrophobicContact CB-CB 4.5Å; R1207-E1210 HydrophobicContact CB-CG 4.06Å; R1207-E1210 PolarHBondContact N-OE2 3.34Å; R1207-E1210 WeakPolarHBondContact O-CB 3.46Å; R1207-E1210 PolarHBondContact O-N 3.46Å | ||
| 1208 | P | 80.5 | Confident | 88.1 | Confident | 119 Ų | 119 | 47.8 Ų | 47.8 | 77% | 0.773 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -26.3 | -177.9 | -27.4 | 35.3 | 0 | 0 | 0 | 115.6 | K1176 | K1176-P1208 PolarHBondContact NZ-O 2.64Š|
| 1209 | N | 83.7 | Confident | 88.3 | Confident | 88 Ų | 88 | 45.7 Ų | 45.7 | 47% | 0.471 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 9.2 | 177.4 | 65.6 | -33.3 | 0 | 0 | 0 | 113.8 | T1177 R1207 | T1177-N1209 PolarHBondContact N-O 3.05Å; T1177-N1209 PolarHBondContact OG1-O 3.49Å; R1207-N1209 WeakPolarHBondContact CB-OD1 3.36Å; R1207-N1209 PolarHBondContact O-N 3.48Å |
| 1210 | E | 87.2 | Confident | 88.3 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -116.7 | 152.2 | 179.5 | -63.4 | 174.1 | 166.2 | 0 | 0 | 110.3 | T1177 R1180 A1206 R1207 | T1177-E1210 CarbonylContact O-C 3.52Å; T1177-E1210 VanDerWaalsContact O-CA 3.23Å; T1177-E1210 WeakPolarHBondContact O-CA 3.43Å; R1180-E1210 VanDerWaalsContact CB-OE1 3.27Å; R1180-E1210 WeakPolarHBondContact CB-OE1 3.45Å; R1180-E1210 WeakPolarHBondContact CG-OE1 3.4Å; R1180-E1210 PolarHBondContact N-OE1 3.34Å; A1206-E1210 HydrophobicContact CB-CB 4.19Å; R1207-E1210 HydrophobicContact CB-CB 4.5Å; R1207-E1210 HydrophobicContact CB-CG 4.06Å; R1207-E1210 PolarHBondContact N-OE2 3.34Å; R1207-E1210 WeakPolarHBondContact O-CB 3.46Å; R1207-E1210 PolarHBondContact O-N 3.46Å |
| 1211 | E | 85.9 | Confident | 88.4 | Confident | 27 Ų | 27 | 47.1 Ų | 47.1 | 13% | 0.126 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 141.6 | 170.6 | -79.8 | -58.1 | 148.5 | 0 | 0 | 111.2 | F1175 K1176 T1177 A1206 V1213 S1261 R1262 | F1175-E1211 HydrophobicContact CB-CG 3.88Å; F1175-E1211 HydrophobicContact CD1-CG 4.36Å; F1175-E1211 HydrophobicContact CG-CG 4.42Å; K1176-E1211 HydrophobicContact CB-CG 3.86Å; K1176-E1211 PolarHBondContact N-OE1 3.1Å; T1177-E1211 PolarHBondContact O-N 2.85Å; A1206-E1211 WeakPolarHBondContact CB-O 2.96Å; E1211-V1213 PolarHBondContact O-N 3.39Å; E1211-S1261 VanDerWaalsContact CB-OG 3.29Å; E1211-S1261 WeakPolarHBondContact CB-OG 3.49Å; E1211-R1262 HydrophobicContact CG-CB 4.3Å |
| 1212 | S | 86.2 | Confident | 88.1 | Confident | 79 Ų | 79 | 48.7 Ų | 48.7 | 55% | 0.552 | 27% | 0.266 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 133.3 | 176 | -62.3 | 0 | 0 | 0 | 0 | 111.7 | E1214 S1261 | S1212-E1214 PolarHBondContact O-N 2.62Å; S1212-S1261 WeakPolarHBondContact O-CB 3.34Å |
| 1213 | V | 88.2 | Confident | 87.9 | Confident | 26 Ų | 26 | 47.9 Ų | 47.9 | 16% | 0.158 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 123.5 | 177.3 | -175.2 | 0 | 0 | 0 | 0 | 109.8 | P1179 I1204 E1211 Y1216 | P1179-V1213 HydrophobicContact CB-CG2 4.36Å; P1179-V1213 HydrophobicContact CG-CG2 3.8Å; I1204-V1213 HydrophobicContact CD1-CG2 4.09Å; I1204-V1213 HydrophobicContact CG1-CG2 3.69Å; E1211-V1213 PolarHBondContact O-N 3.39Å; V1213-Y1216 HydrophobicContact CG1-CE1 4.31Å; V1213-Y1216 HydrophobicContact CG1-CE2 4.15Å |
| 1214 | E | 89 | Confident | 87.6 | Confident | 92 Ų | 92 | 50.4 Ų | 50.4 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -22.5 | 178.5 | -68.4 | -167.5 | 152.9 | 0 | 0 | 112.8 | S1212 L1238 Y1260 R1262 | S1212-E1214 PolarHBondContact O-N 2.62Å; E1214-L1238 WeakPolarHBondContact O-CD2 3.45Å; E1214-L1238 WeakPolarHBondContact O-CG 3.37Å; E1214-Y1260 HydrophobicContact CB-CD2 4.31Å; E1214-Y1260 HydrophobicContact CB-CE2 3.93Å; E1214-Y1260 PolarHBondContact N-O 3.26Å; E1214-R1262 WeakPolarHBondContact OE1-CD 3.34Å; E1214-R1262 WeakPolarHBondContact OE1-CG 3.32Å; E1214-R1262 IonicContact OE1-NE 2.73Å; E1214-R1262 PolarHBondContact OE1-NE 3.16Å |
| 1215 | G | 91.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.5 | -177.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | G1237 G1259 Y1260 | G1215-G1237 CarbonylContact C-O 3.54Å; G1215-G1237 WeakPolarHBondContact CA-O 3.45Å; G1215-G1259 CarbonylContact O-C 3.46Å; G1215-G1259 WeakPolarHBondContact O-CA 3.22Å; G1215-Y1260 VanDerWaalsContact C-CD1 3.49Å; G1215-Y1260 PolarHBondContact N-O 2.86Å; G1215-Y1260 VanDerWaalsContact O-CD1 3.31Å; G1215-Y1260 WeakPolarHBondContact O-CD1 3.43Å; G1215-Y1260 PolarHBondContact O-N 2.83Å |
| 1216 | Y | 94.1 | Very high | 86.8 | Confident | 10 Ų | 10 | 50 Ų | 50 | 4% | 0.039 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 147.4 | 179.9 | -63.7 | -85.4 | 0 | 0 | 0 | 110.7 | P1183 W1201 G1203 I1204 V1213 N1235 V1236 G1237 V1257 Y1258 | P1183-Y1216 HydrophobicContact CG-CD1 3.97Å; P1183-Y1216 HydrophobicContact CG-CE1 3.91Å; W1201-Y1216 AromaticContact CE2-CG 3.98Å; W1201-Y1216 HydrophobicContact CZ2-CD2 4.42Å; W1201-Y1216 AromaticContact CZ2-CG 3.97Å; W1201-Y1216 HydrophobicContact CZ2-CG 3.97Å; W1201-Y1216 AromaticContact NE1-CD1 3.45Å; W1201-Y1216 AromaticContact NE1-CD2 3.8Å; W1201-Y1216 AromaticContact NE1-CE1 3.85Å; W1201-Y1216 AromaticContact NE1-CG 3.44Å; G1203-Y1216 WeakPolarHBondContact CA-OH 3.21Å; I1204-Y1216 HydrophobicContact CG1-CE1 4.24Å; I1204-Y1216 PolarHBondContact N-OH 2.77Å; I1204-Y1216 PolarHBondContact O-OH 3.35Å; V1213-Y1216 HydrophobicContact CG1-CE1 4.31Å; V1213-Y1216 HydrophobicContact CG1-CE2 4.15Å; Y1216-N1235 PolarHBondContact O-OD1 3.39Å; Y1216-V1236 WeakPolarHBondContact O-CG2 3.44Å; Y1216-V1236 PolarHBondContact O-N 2.79Å; Y1216-G1237 PolarHBondContact N-O 3.37Å; Y1216-V1257 HydrophobicContact CD1-CG1 4.48Å; Y1216-Y1258 WeakPolarHBondContact CA-O 3.19Å |
| 1217 | C | 93.8 | Very high | 86.4 | Confident | 10 Ų | 10 | 52.1 Ų | 52.1 | 7% | 0.068 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 135.6 | 171.9 | -76.9 | 0 | 0 | 0 | 0 | 110.4 | I1234 V1257 Y1258 | C1217-I1234 WeakPolarHBondContact CA-O 3.24Å; C1217-V1257 WeakPolarHBondContact O-CA 3.39Å; C1217-Y1258 HydrophobicContact CB-CD1 4.45Å; C1217-Y1258 HydrophobicContact CB-CD2 4.29Å; C1217-Y1258 HydrophobicContact CB-CE1 3.83Å; C1217-Y1258 HydrophobicContact CB-CE2 3.66Å; C1217-Y1258 VanDerWaalsContact CB-CZ 3.4Å; C1217-Y1258 PolarHBondContact N-O 3.32Å; C1217-Y1258 PolarHBondContact O-N 3.02Å; C1217-Y1258 VanDerWaalsContact O-N 3.15Å |
| 1218 | I | 93.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 116.6 | 169.4 | -55.5 | 166.7 | 0 | 0 | 0 | 107.5 | V1199 W1201 D1233 I1234 V1236 V1244 L1255 V1257 | V1199-I1218 HydrophobicContact CB-CD1 3.95Å; V1199-I1218 HydrophobicContact CG1-CD1 4.48Å; V1199-I1218 HydrophobicContact CG2-CD1 4.14Å; V1199-I1218 HydrophobicContact CG2-CG2 4.33Å; W1201-I1218 HydrophobicContact CH2-CD1 3.95Å; W1201-I1218 HydrophobicContact CH2-CG1 3.78Å; W1201-I1218 HydrophobicContact CZ3-CD1 3.85Å; W1201-I1218 HydrophobicContact CZ3-CG1 3.8Å; I1218-D1233 WeakPolarHBondContact O-CA 3.45Å; I1218-I1234 HydrophobicContact CB-CB 4.4Å; I1218-I1234 PolarHBondContact N-O 2.8Å; I1218-I1234 PolarHBondContact O-N 3.35Å; I1218-V1236 HydrophobicContact CD1-CG1 3.88Å; I1218-V1236 HydrophobicContact CG1-CG1 4.31Å; I1218-V1244 HydrophobicContact CG2-CG2 3.82Å; I1218-L1255 HydrophobicContact CG2-CD1 3.73Å; I1218-L1255 HydrophobicContact CG2-CD2 4.19Å; I1218-L1255 HydrophobicContact CG2-CG 3.91Å; I1218-V1257 HydrophobicContact CG1-CG2 4.42Å |
| 1219 | R | 94.1 | Very high | 85.3 | Confident | 30 Ų | 30 | 58.9 Ų | 58.9 | 11% | 0.113 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 125.4 | 176.3 | -177.8 | 168.2 | -70.9 | -179.8 | 1.4 | 110.3 | W1221 F1231 K1232 D1233 L1255 R1256 Y1258 | R1219-W1221 HydrophobicContact CG-CE3 4.24Å; R1219-W1221 HydrophobicContact CG-CZ3 4.22Å; R1219-F1231 HydrophobicContact CG-CB 4.09Å; R1219-F1231 HydrophobicContact CG-CD2 4.05Å; R1219-F1231 HydrophobicContact CG-CG 4.41Å; R1219-K1232 WeakPolarHBondContact CA-O 3.45Å; R1219-D1233 VanDerWaalsContact CB-OD1 3.24Å; R1219-D1233 WeakPolarHBondContact CB-OD1 3.47Å; R1219-D1233 VanDerWaalsContact CG-OD1 3.28Å; R1219-D1233 WeakPolarHBondContact CG-OD1 3.5Å; R1219-D1233 IonicContact CZ-OD1 3.73Å; R1219-D1233 IonicContact CZ-OD2 3.66Å; R1219-D1233 IonicContact NE-OD1 3.83Å; R1219-D1233 PolarHBondContact NE-OD1 2.78Å; R1219-D1233 IonicContact NE-OD2 2.84Å; R1219-D1233 IonicContact NH2-OD1 2.68Å; R1219-D1233 PolarHBondContact NH2-OD1 2.74Å; R1219-D1233 IonicContact NH2-OD2 3.49Å; R1219-D1233 PolarHBondContact NH2-OD2 2.92Å; R1219-L1255 WeakPolarHBondContact O-CA 3Å; R1219-R1256 PolarHBondContact N-O 2.75Å; R1219-R1256 PolarHBondContact O-N 3.05Å; R1219-R1256 VanDerWaalsContact O-O 3.13Å; R1219-Y1258 HydrophobicContact CB-CD1 4.46Å; R1219-Y1258 HydrophobicContact CB-CE1 4.06Å; R1219-Y1258 PolarHBondContact NH2-OH 2.89Å |
| 1220 | Y | 92.8 | Very high | 85.2 | Confident | 23 Ų | 23 | 57.2 Ų | 57.2 | 9% | 0.09 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 151.6 | 177.8 | 73.2 | -78.8 | 0 | 0 | 0 | 113 | K1232 I1234 V1244 L1247 Y1253 N1254 | Y1220-K1232 HydrophobicContact CD1-CB 4.29Å; Y1220-K1232 HydrophobicContact CE1-CB 3.71Å; Y1220-K1232 HydrophobicContact CE1-CD 4.46Å; Y1220-K1232 HydrophobicContact CE2-CD 4.45Å; Y1220-K1232 PolarHBondContact N-O 3.46Å; Y1220-K1232 VanDerWaalsContact N-O 3.1Å; Y1220-K1232 PolarHBondContact O-N 2.84Å; Y1220-K1232 WeakPolarHBondContact OH-CD 3.35Å; Y1220-I1234 HydrophobicContact CE1-CD1 3.88Å; Y1220-I1234 HydrophobicContact CE1-CG1 4.12Å; Y1220-V1244 HydrophobicContact CD1-CG1 3.78Å; Y1220-V1244 HydrophobicContact CD2-CG1 4.14Å; Y1220-V1244 HydrophobicContact CE1-CG1 3.57Å; Y1220-V1244 HydrophobicContact CE2-CG1 3.95Å; Y1220-V1244 HydrophobicContact CG-CG1 4.06Å; Y1220-L1247 HydrophobicContact CD2-CD2 4.16Å; Y1220-L1247 HydrophobicContact CE2-CD2 3.95Å; Y1220-Y1253 HydrophobicContact CD2-CD1 4.11Å; Y1220-Y1253 HydrophobicContact CD2-CE1 4.47Å; Y1220-N1254 CarbonylContact C-O 3.52Å; Y1220-N1254 WeakPolarHBondContact CA-O 3.34Å; Y1220-N1254 WeakPolarHBondContact CB-O 3.39Å |
| 1221 | W | 92.4 | Very high | 85.2 | Confident | 28 Ų | 28 | 60.3 Ų | 60.3 | 11% | 0.106 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 154.8 | 177.9 | 65.1 | 102.5 | 0 | 0 | 0 | 112 | R1219 F1227 F1231 Y1253 N1254 R1256 | R1219-W1221 HydrophobicContact CG-CE3 4.24Å; R1219-W1221 HydrophobicContact CG-CZ3 4.22Å; W1221-F1227 AromaticContact CD2-CD2 3.84Å; W1221-F1227 HydrophobicContact CD2-CD2 3.84Å; W1221-F1227 HydrophobicContact CD2-CE2 4.18Å; W1221-F1227 AromaticContact CE2-CD2 3.86Å; W1221-F1227 HydrophobicContact CE3-CD2 4.14Å; W1221-F1227 AromaticContact CE3-CE2 3.99Å; W1221-F1227 HydrophobicContact CE3-CE2 3.99Å; W1221-F1227 HydrophobicContact CG-CD2 4.23Å; W1221-F1227 HydrophobicContact CH2-CE2 4.27Å; W1221-F1227 HydrophobicContact CZ2-CD2 4.23Å; W1221-F1227 HydrophobicContact CZ2-CE2 4.4Å; W1221-F1227 HydrophobicContact CZ3-CD2 4.49Å; W1221-F1227 HydrophobicContact CZ3-CE2 4.06Å; W1221-F1231 HydrophobicContact CB-CB 4.43Å; W1221-Y1253 CarbonylContact O-C 3.55Å; W1221-Y1253 WeakPolarHBondContact O-CA 3.39Å; W1221-N1254 HydrophobicContact CD2-CB 3.82Å; W1221-N1254 VanDerWaalsContact CE2-CB 3.42Å; W1221-N1254 HydrophobicContact CE3-CB 4.26Å; W1221-N1254 HydrophobicContact CG-CB 4.37Å; W1221-N1254 HydrophobicContact CH2-CB 3.97Å; W1221-N1254 HydrophobicContact CZ2-CB 3.51Å; W1221-N1254 HydrophobicContact CZ3-CB 4.32Å; W1221-N1254 PolarHBondContact N-O 2.82Å; W1221-N1254 PolarHBondContact NE1-ND2 2.85Å; W1221-N1254 PolarHBondContact O-N 2.82Å; W1221-R1256 HydrophobicContact CH2-CG 4.36Å |
| 1222 | P | 88.6 | Confident | 85.3 | Confident | 44 Ų | 44 | 65.1 Ų | 65.1 | 29% | 0.286 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 140.1 | 174.4 | -19.9 | 32.3 | 0 | 0 | 0 | 112.7 | G1224 S1225 V1251 R1252 Y1253 | P1222-G1224 PolarHBondContact O-N 3.09Å; P1222-S1225 PolarHBondContact O-N 3.39Å; P1222-S1225 PolarHBondContact O-OG 2.81Å; P1222-V1251 HydrophobicContact CB-CG1 4.37Å; P1222-R1252 WeakPolarHBondContact CA-O 3.29Å; P1222-Y1253 HydrophobicContact CG-CD1 4.36Å; P1222-Y1253 HydrophobicContact CG-CE1 4.07Å |
| 1223 | T | 82.1 | Confident | 85.6 | Confident | 53 Ų | 53 | 64.5 Ų | 64.5 | 33% | 0.325 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 127.5 | 178.3 | -50.9 | 0 | 0 | 0 | 0 | 110.3 | R1252 N1254 | T1223-R1252 PolarHBondContact N-O 3.44Å; T1223-R1252 WeakPolarHBondContact OG1-CG 3.36Å; T1223-R1252 PolarHBondContact OG1-O 3.19Å; T1223-N1254 PolarHBondContact OG1-OD1 3.41Å |
| 1224 | G | 80.3 | Confident | 85.7 | Confident | 85 Ų | 85 | 65.6 Ų | 65.6 | 88% | 0.876 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.9 | -2.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | P1222 | P1222-G1224 PolarHBondContact O-N 3.09Š|
| 1225 | S | 79.2 | Confident | 85.8 | Confident | 39 Ų | 39 | 65.7 Ų | 65.7 | 27% | 0.273 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -85.5 | 160.9 | 177.7 | 73.5 | 0 | 0 | 0 | 0 | 113.6 | P1222 F1227 T1230 | P1222-S1225 PolarHBondContact O-N 3.39Å; P1222-S1225 PolarHBondContact O-OG 2.81Å; S1225-F1227 PolarHBondContact O-N 3.35Å; S1225-T1230 PolarHBondContact OG-OG1 2.8Å |
| 1226 | Q | 74.9 | Confident | 85.8 | Confident | 136 Ų | 136 | 66.6 Ų | 66.6 | 64% | 0.636 | 34% | 0.338 | S | S | * | . | trans | -68 | 95 | 172.9 | -73.8 | -165.3 | -5.1 | 0 | 0 | 111.2 | K1228 R1229 T1230 | Q1226-K1228 VanDerWaalsContact C-N 3.34Å; Q1226-K1228 PolarHBondContact O-N 2.96Å; Q1226-K1228 VanDerWaalsContact O-N 3.11Å; Q1226-R1229 PolarHBondContact O-N 2.92Å; Q1226-T1230 PolarHBondContact O-N 2.8Å; Q1226-T1230 PolarHBondContact O-OG1 2.05Å; Q1226-T1230 VanDerWaalsContact O-OG1 3.11Å | ||
| 1227 | F | 71.6 | Confident | 85.6 | Confident | 79 Ų | 79 | 67.2 Ų | 67.2 | 35% | 0.346 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -37.5 | -56.3 | -176.4 | 171.9 | -106.9 | 0 | 0 | 0 | 114.1 | W1221 S1225 R1229 T1230 F1231 | W1221-F1227 AromaticContact CD2-CD2 3.84Å; W1221-F1227 HydrophobicContact CD2-CD2 3.84Å; W1221-F1227 HydrophobicContact CD2-CE2 4.18Å; W1221-F1227 AromaticContact CE2-CD2 3.86Å; W1221-F1227 HydrophobicContact CE3-CD2 4.14Å; W1221-F1227 AromaticContact CE3-CE2 3.99Å; W1221-F1227 HydrophobicContact CE3-CE2 3.99Å; W1221-F1227 HydrophobicContact CG-CD2 4.23Å; W1221-F1227 HydrophobicContact CH2-CE2 4.27Å; W1221-F1227 HydrophobicContact CZ2-CD2 4.23Å; W1221-F1227 HydrophobicContact CZ2-CE2 4.4Å; W1221-F1227 HydrophobicContact CZ3-CD2 4.49Å; W1221-F1227 HydrophobicContact CZ3-CE2 4.06Å; S1225-F1227 PolarHBondContact O-N 3.35Å; F1227-R1229 PolarHBondContact O-N 2.83Å; F1227-T1230 PolarHBondContact O-N 2.88Å; F1227-T1230 VanDerWaalsContact O-N 3.14Å; F1227-F1231 HydrophobicContact CD2-CB 4.29Å; F1227-F1231 HydrophobicContact CE2-CB 4.09Å; F1227-F1231 WeakPolarHBondContact O-CD1 3.42Å; F1227-F1231 PolarHBondContact O-N 2.74Å; F1227-F1231 VanDerWaalsContact O-N 3.16Å |
| 1228 | K | 69.3 | Low | 85.3 | Confident | 169 Ų | 169 | 72.5 Ų | 72.5 | 74% | 0.735 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -57.3 | -21.8 | -175.6 | -72.1 | -171.7 | 178.6 | -179.8 | 0 | 115.1 | Q1226 | Q1226-K1228 VanDerWaalsContact C-N 3.34Å; Q1226-K1228 PolarHBondContact O-N 2.96Å; Q1226-K1228 VanDerWaalsContact O-N 3.11Å |
| 1229 | R | 72.6 | Confident | 85 | Confident | 211 Ų | 211 | 77.7 Ų | 77.7 | 80% | 0.796 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -105.9 | -17.1 | -177.8 | -68.2 | -175.3 | 176.3 | -171.6 | 0.5 | 113.7 | Q1226 F1227 | Q1226-R1229 PolarHBondContact O-N 2.92Å; F1227-R1229 PolarHBondContact O-N 2.83Å |
| 1230 | T | 80.3 | Confident | 84.9 | Confident | 53 Ų | 53 | 79.2 Ų | 79.2 | 33% | 0.325 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -119.9 | -9.3 | -166.9 | 58.6 | 0 | 0 | 0 | 0 | 114.6 | S1225 Q1226 F1227 | S1225-T1230 PolarHBondContact OG-OG1 2.8Å; Q1226-T1230 PolarHBondContact O-N 2.8Å; Q1226-T1230 PolarHBondContact O-OG1 2.05Å; Q1226-T1230 VanDerWaalsContact O-OG1 3.11Å; F1227-T1230 PolarHBondContact O-N 2.88Å; F1227-T1230 VanDerWaalsContact O-N 3.14Å |
| 1231 | F | 88.1 | Confident | 84.8 | Confident | 73 Ų | 73 | 81.2 Ų | 81.2 | 32% | 0.32 | 42% | 0.422 | S | S | . | . | trans | -67.2 | 146.5 | 176.7 | 81.1 | -94 | 0 | 0 | 0 | 111 | R1219 W1221 F1227 D1233 | R1219-F1231 HydrophobicContact CG-CB 4.09Å; R1219-F1231 HydrophobicContact CG-CD2 4.05Å; R1219-F1231 HydrophobicContact CG-CG 4.41Å; W1221-F1231 HydrophobicContact CB-CB 4.43Å; F1227-F1231 HydrophobicContact CD2-CB 4.29Å; F1227-F1231 HydrophobicContact CE2-CB 4.09Å; F1227-F1231 WeakPolarHBondContact O-CD1 3.42Å; F1227-F1231 PolarHBondContact O-N 2.74Å; F1227-F1231 VanDerWaalsContact O-N 3.16Å; F1231-D1233 WeakPolarHBondContact CE2-OD2 3.05Å | ||
| 1232 | K | 88.6 | Confident | 84.8 | Confident | 128 Ų | 128 | 80 Ų | 80 | 56% | 0.557 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 135.9 | 171 | -70.3 | -178.7 | 174.4 | -173.6 | 0 | 109 | R1219 Y1220 | R1219-K1232 WeakPolarHBondContact CA-O 3.45Å; Y1220-K1232 HydrophobicContact CD1-CB 4.29Å; Y1220-K1232 HydrophobicContact CE1-CB 3.71Å; Y1220-K1232 HydrophobicContact CE1-CD 4.46Å; Y1220-K1232 HydrophobicContact CE2-CD 4.45Å; Y1220-K1232 PolarHBondContact N-O 3.46Å; Y1220-K1232 VanDerWaalsContact N-O 3.1Å; Y1220-K1232 PolarHBondContact O-N 2.84Å; Y1220-K1232 WeakPolarHBondContact OH-CD 3.35Å |
| 1233 | D | 91.1 | Very high | 84.9 | Confident | 66 Ų | 66 | 83.5 Ų | 83.5 | 35% | 0.353 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 133.7 | 174 | -70.3 | -21.3 | 0 | 0 | 0 | 110.5 | I1218 R1219 F1231 Y1258 | I1218-D1233 WeakPolarHBondContact O-CA 3.45Å; R1219-D1233 VanDerWaalsContact CB-OD1 3.24Å; R1219-D1233 WeakPolarHBondContact CB-OD1 3.47Å; R1219-D1233 VanDerWaalsContact CG-OD1 3.28Å; R1219-D1233 WeakPolarHBondContact CG-OD1 3.5Å; R1219-D1233 IonicContact CZ-OD1 3.73Å; R1219-D1233 IonicContact CZ-OD2 3.66Å; R1219-D1233 IonicContact NE-OD1 3.83Å; R1219-D1233 PolarHBondContact NE-OD1 2.78Å; R1219-D1233 IonicContact NE-OD2 2.84Å; R1219-D1233 IonicContact NH2-OD1 2.68Å; R1219-D1233 PolarHBondContact NH2-OD1 2.74Å; R1219-D1233 IonicContact NH2-OD2 3.49Å; R1219-D1233 PolarHBondContact NH2-OD2 2.92Å; F1231-D1233 WeakPolarHBondContact CE2-OD2 3.05Å; D1233-Y1258 PolarHBondContact OD2-OH 3.09Å; D1233-Y1258 VanDerWaalsContact OD2-OH 3.06Å |
| 1234 | I | 92 | Very high | 85.4 | Confident | 48 Ų | 48 | 81 Ų | 81 | 25% | 0.246 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 109.1 | 170.2 | -54.7 | -178.1 | 0 | 0 | 0 | 106.9 | C1217 I1218 Y1220 V1236 Y1243 V1244 | C1217-I1234 WeakPolarHBondContact CA-O 3.24Å; I1218-I1234 HydrophobicContact CB-CB 4.4Å; I1218-I1234 PolarHBondContact N-O 2.8Å; I1218-I1234 PolarHBondContact O-N 3.35Å; Y1220-I1234 HydrophobicContact CE1-CD1 3.88Å; Y1220-I1234 HydrophobicContact CE1-CG1 4.12Å; I1234-V1236 HydrophobicContact CG2-CG1 4.25Å; I1234-Y1243 WeakPolarHBondContact CD1-O 3.48Å; I1234-V1244 HydrophobicContact CD1-CB 4.25Å; I1234-V1244 HydrophobicContact CD1-CG1 4.15Å; I1234-V1244 HydrophobicContact CD1-CG2 4.04Å |
| 1235 | N | 91.1 | Very high | 85.7 | Confident | 94 Ų | 94 | 79.3 Ų | 79.3 | 50% | 0.503 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 124.9 | 173.8 | -171.2 | -15.7 | 0 | 0 | 0 | 109.3 | Y1216 G1237 Y1260 | Y1216-N1235 PolarHBondContact O-OD1 3.39Å; N1235-G1237 PolarHBondContact OD1-N 2.87Å; N1235-Y1260 PolarHBondContact ND2-OH 3.07Å; N1235-Y1260 PolarHBondContact OD1-OH 3.17Å |
| 1236 | V | 91 | Very high | 86 | Confident | 19 Ų | 19 | 84.2 Ų | 84.2 | 12% | 0.115 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 7.1 | -179.9 | -60.5 | 0 | 0 | 0 | 0 | 112.9 | W1201 Y1216 I1218 I1234 Q1239 | W1201-V1236 HydrophobicContact CH2-CG2 3.54Å; W1201-V1236 HydrophobicContact CZ2-CG2 3.6Å; Y1216-V1236 WeakPolarHBondContact O-CG2 3.44Å; Y1216-V1236 PolarHBondContact O-N 2.79Å; I1218-V1236 HydrophobicContact CD1-CG1 3.88Å; I1218-V1236 HydrophobicContact CG1-CG1 4.31Å; I1234-V1236 HydrophobicContact CG2-CG1 4.25Å; V1236-Q1239 WeakPolarHBondContact CG2-O 3.45Å; V1236-Q1239 WeakPolarHBondContact O-CB 3.11Å; V1236-Q1239 WeakPolarHBondContact O-CG 3.13Å; V1236-Q1239 PolarHBondContact O-N 2.8Å |
| 1237 | G | 90.2 | Very high | 86.6 | Confident | 24 Ų | 24 | 77.8 Ų | 77.8 | 25% | 0.247 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 59.9 | -144.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G1215 Y1216 N1235 Q1239 | G1215-G1237 CarbonylContact C-O 3.54Å; G1215-G1237 WeakPolarHBondContact CA-O 3.45Å; Y1216-G1237 PolarHBondContact N-O 3.37Å; N1235-G1237 PolarHBondContact OD1-N 2.87Å; G1237-Q1239 PolarHBondContact O-N 2.79Å |
| 1238 | L | 87.6 | Confident | 87.2 | Confident | 121 Ų | 121 | 81 Ų | 81 | 63% | 0.634 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | 3.6 | 178.8 | -70.7 | 171.5 | 0 | 0 | 0 | 114.2 | E1214 | E1214-L1238 WeakPolarHBondContact O-CD2 3.45Å; E1214-L1238 WeakPolarHBondContact O-CG 3.37Å |
| 1239 | Q | 88.3 | Confident | 87.7 | Confident | 108 Ų | 108 | 75.6 Ų | 75.6 | 51% | 0.505 | 37% | 0.373 | S | S | . | . | trans | -70.5 | 134.7 | 177.8 | -59.6 | -177.8 | -8.6 | 0 | 0 | 109.7 | W1201 V1236 G1237 F1241 | W1201-Q1239 WeakPolarHBondContact CZ2-O 3.45Å; V1236-Q1239 WeakPolarHBondContact CG2-O 3.45Å; V1236-Q1239 WeakPolarHBondContact O-CB 3.11Å; V1236-Q1239 WeakPolarHBondContact O-CG 3.13Å; V1236-Q1239 PolarHBondContact O-N 2.8Å; G1237-Q1239 PolarHBondContact O-N 2.79Å; Q1239-F1241 HydrophobicContact CB-CE1 4.46Å; Q1239-F1241 PolarHBondContact O-N 3.32Å | ||
| 1240 | T | 90.2 | Very high | 88 | Confident | 62 Ų | 62 | 69.8 Ų | 69.8 | 38% | 0.38 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -88.5 | 21.8 | 175.5 | 53.1 | 0 | 0 | 0 | 0 | 112.7 | S1200 W1201 | S1200-T1240 WeakPolarHBondContact CA-O 3.11Å; W1201-T1240 PolarHBondContact N-O 3.1Å; W1201-T1240 WeakPolarHBondContact O-CB 3.38Å |
| 1241 | F | 92 | Very high | 88.1 | Confident | 66 Ų | 66 | 69.4 Ų | 69.4 | 29% | 0.289 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 159.7 | 172.8 | 68.6 | -86 | 0 | 0 | 0 | 110.5 | V1199 Q1239 Y1243 | V1199-F1241 CarbonylContact O-C 3.52Å; V1199-F1241 WeakPolarHBondContact O-CA 3.23Å; V1199-F1241 WeakPolarHBondContact O-CB 3.08Å; Q1239-F1241 HydrophobicContact CB-CE1 4.46Å; Q1239-F1241 PolarHBondContact O-N 3.32Å; F1241-Y1243 HydrophobicContact CD2-CE2 4.29Å; F1241-Y1243 HydrophobicContact CE2-CE2 4.19Å |
| 1242 | G | 91.5 | Very high | 87.9 | Confident | 3 Ų | 3 | 71.4 Ų | 71.4 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 178.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1198 V1199 | R1198-G1242 WeakPolarHBondContact CA-O 3.4Å; V1199-G1242 PolarHBondContact N-O 3.48Å; V1199-G1242 PolarHBondContact O-N 2.91Å |
| 1243 | Y | 91.7 | Very high | 88 | Confident | 117 Ų | 117 | 66.1 Ų | 66.1 | 46% | 0.459 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 135 | -177.4 | -60 | -85.9 | 0 | 0 | 0 | 110.6 | T1191 T1196 I1197 R1198 I1234 F1241 | T1191-Y1243 HydrophobicContact CG2-CD1 4.08Å; T1191-Y1243 HydrophobicContact CG2-CE1 4.12Å; T1196-Y1243 HydrophobicContact CG2-CD1 4.47Å; I1197-Y1243 WeakPolarHBondContact O-CA 3.41Å; R1198-Y1243 HydrophobicContact CB-CD1 3.97Å; R1198-Y1243 HydrophobicContact CB-CE1 3.76Å; R1198-Y1243 HydrophobicContact CG-CD1 4.22Å; R1198-Y1243 HydrophobicContact CG-CE1 3.75Å; I1234-Y1243 WeakPolarHBondContact CD1-O 3.48Å; F1241-Y1243 HydrophobicContact CD2-CE2 4.29Å; F1241-Y1243 HydrophobicContact CE2-CE2 4.19Å |
| 1244 | V | 91.1 | Very high | 88 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 109.1 | 171.2 | -172.6 | 0 | 0 | 0 | 0 | 107.3 | T1196 I1197 V1199 I1218 Y1220 I1234 L1247 L1255 | T1196-V1244 VanDerWaalsContact CA-O 3.31Å; T1196-V1244 WeakPolarHBondContact CA-O 3.38Å; I1197-V1244 HydrophobicContact CD1-CB 4.39Å; I1197-V1244 HydrophobicContact CG1-CB 3.88Å; I1197-V1244 HydrophobicContact CG1-CG2 4.33Å; I1197-V1244 PolarHBondContact N-O 3.02Å; I1197-V1244 PolarHBondContact O-N 3.11Å; V1199-V1244 HydrophobicContact CG2-CG2 3.88Å; I1218-V1244 HydrophobicContact CG2-CG2 3.82Å; Y1220-V1244 HydrophobicContact CD1-CG1 3.78Å; Y1220-V1244 HydrophobicContact CD2-CG1 4.14Å; Y1220-V1244 HydrophobicContact CE1-CG1 3.57Å; Y1220-V1244 HydrophobicContact CE2-CG1 3.95Å; Y1220-V1244 HydrophobicContact CG-CG1 4.06Å; I1234-V1244 HydrophobicContact CD1-CB 4.25Å; I1234-V1244 HydrophobicContact CD1-CG1 4.15Å; I1234-V1244 HydrophobicContact CD1-CG2 4.04Å; V1244-L1247 HydrophobicContact CB-CD1 4.2Å; V1244-L1247 HydrophobicContact CG1-CD1 3.95Å; V1244-L1247 HydrophobicContact CG1-CD2 3.88Å; V1244-L1247 HydrophobicContact CG1-CG 4.04Å; V1244-L1247 WeakPolarHBondContact O-CD1 3.46Å; V1244-L1255 HydrophobicContact CG2-CD1 4.12Å |
| 1245 | S | 88.4 | Confident | 88 | Confident | 49 Ų | 49 | 61.4 Ų | 61.4 | 34% | 0.343 | 31% | 0.313 | S | S | . | . | trans | -99.1 | 175.9 | 178.8 | 60.9 | 0 | 0 | 0 | 0 | 112.1 | L1247 | S1245-L1247 PolarHBondContact O-N 3.02Š| ||
| 1246 | D | 84.6 | Confident | 88.1 | Confident | 142 Ų | 142 | 60.4 Ų | 60.4 | 76% | 0.759 | 30% | 0.302 | S | S | * | . | S | Bend | trans | 61.5 | 29.1 | 173.5 | -51.9 | -55.6 | 0 | 0 | 0 | 114.7 | N1195 | N1195-D1246 PolarHBondContact O-N 3.32Š|
| 1247 | L | 87.9 | Confident | 88.2 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 138.9 | 178.4 | -66.6 | 164.4 | 0 | 0 | 0 | 110.8 | N1195 I1197 Y1220 V1244 S1245 Y1253 F1275 I1277 | N1195-L1247 VanDerWaalsContact CB-O 3.26Å; N1195-L1247 WeakPolarHBondContact CB-O 3.32Å; N1195-L1247 PolarHBondContact O-N 3.32Å; I1197-L1247 HydrophobicContact CB-CD1 4.48Å; I1197-L1247 HydrophobicContact CD1-CD1 4.02Å; I1197-L1247 HydrophobicContact CG1-CD1 3.87Å; I1197-L1247 HydrophobicContact CG2-CD1 3.98Å; Y1220-L1247 HydrophobicContact CD2-CD2 4.16Å; Y1220-L1247 HydrophobicContact CE2-CD2 3.95Å; V1244-L1247 HydrophobicContact CB-CD1 4.2Å; V1244-L1247 HydrophobicContact CG1-CD1 3.95Å; V1244-L1247 HydrophobicContact CG1-CD2 3.88Å; V1244-L1247 HydrophobicContact CG1-CG 4.04Å; V1244-L1247 WeakPolarHBondContact O-CD1 3.46Å; S1245-L1247 PolarHBondContact O-N 3.02Å; L1247-Y1253 HydrophobicContact CB-CE2 4.38Å; L1247-Y1253 HydrophobicContact CD2-CD1 4.25Å; L1247-Y1253 HydrophobicContact CD2-CD2 4.07Å; L1247-Y1253 HydrophobicContact CD2-CE1 4.06Å; L1247-Y1253 HydrophobicContact CD2-CE2 3.88Å; L1247-Y1253 HydrophobicContact CD2-CG 4.25Å; L1247-F1275 HydrophobicContact CD1-CE2 3.77Å; L1247-F1275 HydrophobicContact CD1-CZ 3.97Å; L1247-F1275 HydrophobicContact CD2-CE2 4.26Å; L1247-F1275 HydrophobicContact CD2-CZ 4.05Å; L1247-I1277 HydrophobicContact CB-CD1 3.43Å; L1247-I1277 VanDerWaalsContact CB-CD1 3.43Å; L1247-I1277 HydrophobicContact CB-CG1 4.39Å; L1247-I1277 HydrophobicContact CD1-CD1 3.82Å; L1247-I1277 HydrophobicContact CG-CD1 4.28Å |
| 1248 | K | 83.5 | Confident | 88.4 | Confident | 147 Ų | 147 | 58.8 Ų | 58.8 | 64% | 0.639 | 29% | 0.287 | S | S | * | . | P | Polyproline II helix | trans | -83.2 | 137.3 | 178.8 | -65.3 | -175.7 | 179.4 | -176.7 | 0 | 110.3 | V1251 Y1253 | K1248-V1251 HydrophobicContact CB-CB 4.14Å; K1248-V1251 HydrophobicContact CB-CG2 3.65Å; K1248-V1251 HydrophobicContact CD-CG2 4.49Å; K1248-Y1253 PolarHBondContact N-OH 2.68Å; K1248-Y1253 VanDerWaalsContact N-OH 3.11Å |
| 1249 | T | 80.2 | Confident | 88.5 | Confident | 54 Ų | 54 | 53 Ų | 53 | 33% | 0.331 | 26% | 0.257 | S | S | . | . | B | Isolated β-bridge | trans | -64.7 | 144.3 | 172.4 | 46 | 0 | 0 | 0 | 0 | 110.4 | V1251 I1277 K1301 | T1249-V1251 PolarHBondContact O-N 2.75Å; T1249-V1251 VanDerWaalsContact O-N 3.14Å; T1249-I1277 HydrophobicContact CG2-CG2 4.11Å; T1249-K1301 HydrophobicContact CG2-CD 4.07Å |
| 1250 | D | 78.6 | Confident | 88.6 | Confident | 89 Ų | 89 | 50.3 Ų | 50.3 | 48% | 0.476 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 18.7 | -179.1 | -63.8 | -34.7 | 0 | 0 | 0 | 116.2 | Q1276 I1277 | D1250-Q1276 PolarHBondContact OD1-NE2 3.01Å; D1250-I1277 PolarHBondContact N-O 3.09Å |
| 1251 | V | 81.6 | Confident | 88.6 | Confident | 46 Ų | 46 | 47.8 Ų | 47.8 | 28% | 0.279 | 23% | 0.227 | S | C | . | . | trans | -103.9 | 129 | 168.1 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | P1222 K1248 T1249 Y1253 | P1222-V1251 HydrophobicContact CB-CG1 4.37Å; K1248-V1251 HydrophobicContact CB-CB 4.14Å; K1248-V1251 HydrophobicContact CB-CG2 3.65Å; K1248-V1251 HydrophobicContact CD-CG2 4.49Å; T1249-V1251 PolarHBondContact O-N 2.75Å; T1249-V1251 VanDerWaalsContact O-N 3.14Å; V1251-Y1253 HydrophobicContact CB-CD2 4.46Å; V1251-Y1253 HydrophobicContact CB-CE2 3.7Å; V1251-Y1253 HydrophobicContact CG1-CD2 4.3Å; V1251-Y1253 HydrophobicContact CG1-CE1 4.22Å; V1251-Y1253 HydrophobicContact CG1-CE2 3.73Å; V1251-Y1253 WeakPolarHBondContact O-CD2 3.42Å; V1251-Y1253 WeakPolarHBondContact O-CE2 3.38Å | ||
| 1252 | R | 84.5 | Confident | 88.1 | Confident | 115 Ų | 115 | 50.6 Ų | 50.6 | 43% | 0.434 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 129.7 | 175.6 | -166.6 | -178.6 | -73.9 | -164.4 | -7.1 | 109.6 | P1222 T1223 Y1296 | P1222-R1252 WeakPolarHBondContact CA-O 3.29Å; T1223-R1252 PolarHBondContact N-O 3.44Å; T1223-R1252 WeakPolarHBondContact OG1-CG 3.36Å; T1223-R1252 PolarHBondContact OG1-O 3.19Å; R1252-Y1296 HydrophobicContact CG-CE2 3.88Å; R1252-Y1296 PolarHBondContact NE-OH 2.85Å; R1252-Y1296 PolarHBondContact NH2-OH 3.3Å |
| 1253 | Y | 90.2 | Very high | 87.6 | Confident | 16 Ų | 16 | 50.5 Ų | 50.5 | 6% | 0.063 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 143.7 | 179.5 | -67.5 | -86.6 | 0 | 0 | 0 | 110.8 | Y1220 W1221 P1222 L1247 K1248 V1251 Q1274 F1275 | Y1220-Y1253 HydrophobicContact CD2-CD1 4.11Å; Y1220-Y1253 HydrophobicContact CD2-CE1 4.47Å; W1221-Y1253 CarbonylContact O-C 3.55Å; W1221-Y1253 WeakPolarHBondContact O-CA 3.39Å; P1222-Y1253 HydrophobicContact CG-CD1 4.36Å; P1222-Y1253 HydrophobicContact CG-CE1 4.07Å; L1247-Y1253 HydrophobicContact CB-CE2 4.38Å; L1247-Y1253 HydrophobicContact CD2-CD1 4.25Å; L1247-Y1253 HydrophobicContact CD2-CD2 4.07Å; L1247-Y1253 HydrophobicContact CD2-CE1 4.06Å; L1247-Y1253 HydrophobicContact CD2-CE2 3.88Å; L1247-Y1253 HydrophobicContact CD2-CG 4.25Å; K1248-Y1253 PolarHBondContact N-OH 2.68Å; K1248-Y1253 VanDerWaalsContact N-OH 3.11Å; V1251-Y1253 HydrophobicContact CB-CD2 4.46Å; V1251-Y1253 HydrophobicContact CB-CE2 3.7Å; V1251-Y1253 HydrophobicContact CG1-CD2 4.3Å; V1251-Y1253 HydrophobicContact CG1-CE1 4.22Å; V1251-Y1253 HydrophobicContact CG1-CE2 3.73Å; V1251-Y1253 WeakPolarHBondContact O-CD2 3.42Å; V1251-Y1253 WeakPolarHBondContact O-CE2 3.38Å; Y1253-Q1274 CarbonylContact O-C 3.44Å; Y1253-Q1274 VanDerWaalsContact O-CA 3.27Å; Y1253-Q1274 WeakPolarHBondContact O-CA 3.44Å; Y1253-F1275 AromaticContact CD2-CE2 3.95Å; Y1253-F1275 HydrophobicContact CD2-CE2 3.95Å; Y1253-F1275 HydrophobicContact CD2-CZ 4.16Å; Y1253-F1275 HydrophobicContact CG-CE2 4.25Å; Y1253-F1275 AromaticContact CG-CZ 4Å; Y1253-F1275 HydrophobicContact CG-CZ 4Å; Y1253-F1275 PolarHBondContact N-O 2.91Å; Y1253-F1275 PolarHBondContact O-N 3.13Å |
| 1254 | N | 91 | Very high | 87.3 | Confident | 15 Ų | 15 | 46 Ų | 46 | 8% | 0.08 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 141.1 | 163.8 | -64.4 | -40 | 0 | 0 | 0 | 108.9 | Y1220 W1221 T1223 V1272 N1273 Q1274 | Y1220-N1254 CarbonylContact C-O 3.52Å; Y1220-N1254 WeakPolarHBondContact CA-O 3.34Å; Y1220-N1254 WeakPolarHBondContact CB-O 3.39Å; W1221-N1254 HydrophobicContact CD2-CB 3.82Å; W1221-N1254 VanDerWaalsContact CE2-CB 3.42Å; W1221-N1254 HydrophobicContact CE3-CB 4.26Å; W1221-N1254 HydrophobicContact CG-CB 4.37Å; W1221-N1254 HydrophobicContact CH2-CB 3.97Å; W1221-N1254 HydrophobicContact CZ2-CB 3.51Å; W1221-N1254 HydrophobicContact CZ3-CB 4.32Å; W1221-N1254 PolarHBondContact N-O 2.82Å; W1221-N1254 PolarHBondContact NE1-ND2 2.85Å; W1221-N1254 PolarHBondContact O-N 2.82Å; T1223-N1254 PolarHBondContact OG1-OD1 3.41Å; N1254-V1272 HydrophobicContact CB-CG1 3.78Å; N1254-N1273 CarbonylContact C-O 3.46Å; N1254-Q1274 WeakPolarHBondContact OD1-CG 3.37Å; N1254-Q1274 PolarHBondContact OD1-NE2 2.83Å |
| 1255 | L | 92.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 138.2 | 177.6 | -176.6 | 152.6 | 0 | 0 | 0 | 111.3 | V1186 L1188 I1197 V1199 I1218 R1219 V1244 V1257 N1273 F1275 | V1186-L1255 HydrophobicContact CG1-CD2 4.18Å; L1188-L1255 HydrophobicContact CD2-CD1 4.09Å; L1188-L1255 HydrophobicContact CD2-CD2 4.2Å; I1197-L1255 HydrophobicContact CD1-CD1 4.32Å; V1199-L1255 HydrophobicContact CG1-CD2 3.98Å; V1199-L1255 HydrophobicContact CG2-CD1 3.84Å; I1218-L1255 HydrophobicContact CG2-CD1 3.73Å; I1218-L1255 HydrophobicContact CG2-CD2 4.19Å; I1218-L1255 HydrophobicContact CG2-CG 3.91Å; R1219-L1255 WeakPolarHBondContact O-CA 3Å; V1244-L1255 HydrophobicContact CG2-CD1 4.12Å; L1255-V1257 HydrophobicContact CD2-CG2 4.18Å; L1255-N1273 PolarHBondContact N-O 3.33Å; L1255-N1273 PolarHBondContact O-N 2.78Å; L1255-N1273 VanDerWaalsContact O-N 3.13Å; L1255-F1275 HydrophobicContact CB-CD1 4.28Å; L1255-F1275 HydrophobicContact CB-CE1 3.87Å; L1255-F1275 HydrophobicContact CD1-CE1 3.84Å |
| 1256 | R | 93.2 | Very high | 86.8 | Confident | 73 Ų | 73 | 48 Ų | 48 | 28% | 0.275 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 154.4 | 169.5 | -68.7 | -170.2 | 171.6 | 172.5 | -4.3 | 110.6 | R1219 W1221 M1268 S1269 | R1219-R1256 PolarHBondContact N-O 2.75Å; R1219-R1256 PolarHBondContact O-N 3.05Å; R1219-R1256 VanDerWaalsContact O-O 3.13Å; W1221-R1256 HydrophobicContact CH2-CG 4.36Å; R1256-M1268 HydrophobicContact CB-CB 4.07Å; R1256-M1268 HydrophobicContact CB-SD 4.43Å; R1256-M1268 HydrophobicContact CG-CB 4.47Å; R1256-S1269 WeakPolarHBondContact CA-OG 3.24Å; R1256-S1269 VanDerWaalsContact CD-O 3.31Å; R1256-S1269 WeakPolarHBondContact CD-O 3.35Å; R1256-S1269 PolarHBondContact NE-O 3.23Å |
| 1257 | V | 93.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 140.7 | 173.6 | -173.4 | 0 | 0 | 0 | 0 | 108.6 | P1183 V1186 V1199 W1201 Y1216 C1217 I1218 L1255 S1269 | P1183-V1257 HydrophobicContact CB-CB 4.37Å; P1183-V1257 HydrophobicContact CB-CG1 4.3Å; P1183-V1257 HydrophobicContact CG-CB 4.4Å; P1183-V1257 HydrophobicContact CG-CG1 4.11Å; V1186-V1257 HydrophobicContact CG1-CG2 4.04Å; V1186-V1257 HydrophobicContact CG2-CB 4.44Å; V1186-V1257 HydrophobicContact CG2-CG2 4.24Å; V1199-V1257 HydrophobicContact CG1-CG2 4.04Å; W1201-V1257 HydrophobicContact CD2-CB 4.4Å; W1201-V1257 HydrophobicContact CD2-CG1 3.67Å; W1201-V1257 HydrophobicContact CD2-CG2 4.23Å; W1201-V1257 HydrophobicContact CE3-CB 4.47Å; W1201-V1257 HydrophobicContact CE3-CG1 3.98Å; W1201-V1257 HydrophobicContact CE3-CG2 3.83Å; W1201-V1257 HydrophobicContact CG-CG1 4.11Å; W1201-V1257 HydrophobicContact CH2-CG1 4.22Å; W1201-V1257 HydrophobicContact CZ2-CG1 3.92Å; W1201-V1257 HydrophobicContact CZ3-CG1 4.25Å; W1201-V1257 HydrophobicContact CZ3-CG2 4.18Å; Y1216-V1257 HydrophobicContact CD1-CG1 4.48Å; C1217-V1257 WeakPolarHBondContact O-CA 3.39Å; I1218-V1257 HydrophobicContact CG1-CG2 4.42Å; L1255-V1257 HydrophobicContact CD2-CG2 4.18Å; V1257-S1269 PolarHBondContact N-OG 2.76Å; V1257-S1269 WeakPolarHBondContact O-CB 3.19Å; V1257-S1269 PolarHBondContact O-N 2.9Å |
| 1258 | Y | 93.4 | Very high | 86.9 | Confident | 9 Ų | 9 | 46.2 Ų | 46.2 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 149.2 | 172.4 | 62.6 | -96.5 | 0 | 0 | 0 | 110.7 | Y1216 C1217 R1219 D1233 V1265 M1268 | Y1216-Y1258 WeakPolarHBondContact CA-O 3.19Å; C1217-Y1258 HydrophobicContact CB-CD1 4.45Å; C1217-Y1258 HydrophobicContact CB-CD2 4.29Å; C1217-Y1258 HydrophobicContact CB-CE1 3.83Å; C1217-Y1258 HydrophobicContact CB-CE2 3.66Å; C1217-Y1258 VanDerWaalsContact CB-CZ 3.4Å; C1217-Y1258 PolarHBondContact N-O 3.32Å; C1217-Y1258 PolarHBondContact O-N 3.02Å; C1217-Y1258 VanDerWaalsContact O-N 3.15Å; R1219-Y1258 HydrophobicContact CB-CD1 4.46Å; R1219-Y1258 HydrophobicContact CB-CE1 4.06Å; R1219-Y1258 PolarHBondContact NH2-OH 2.89Å; D1233-Y1258 PolarHBondContact OD2-OH 3.09Å; D1233-Y1258 VanDerWaalsContact OD2-OH 3.06Å; Y1258-V1265 HydrophobicContact CD1-CG1 4.5Å; Y1258-V1265 HydrophobicContact CD2-CB 4.5Å; Y1258-V1265 HydrophobicContact CD2-CG1 3.49Å; Y1258-V1265 VanDerWaalsContact CD2-CG1 3.49Å; Y1258-V1265 HydrophobicContact CE2-CB 4.29Å; Y1258-V1265 HydrophobicContact CE2-CG1 3.49Å; Y1258-V1265 VanDerWaalsContact CE2-CG1 3.49Å; Y1258-V1265 HydrophobicContact CE2-CG2 4.02Å; Y1258-V1265 HydrophobicContact CG-CG1 4Å; Y1258-M1268 HydrophobicContact CD1-CE 4.39Å; Y1258-M1268 HydrophobicContact CD1-CG 4.17Å |
| 1259 | G | 89.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 145 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | G1215 G1266 | G1215-G1259 CarbonylContact O-C 3.46Å; G1215-G1259 WeakPolarHBondContact O-CA 3.22Å; G1259-G1266 WeakPolarHBondContact O-CA 3.23Å; G1259-G1266 PolarHBondContact O-N 3.11Å |
| 1260 | Y | 90.8 | Very high | 86.9 | Confident | 52 Ų | 52 | 40.1 Ų | 40.1 | 20% | 0.204 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 152 | 170.5 | 70.8 | -94.6 | 0 | 0 | 0 | 110.3 | E1214 G1215 N1235 G1264 | E1214-Y1260 HydrophobicContact CB-CD2 4.31Å; E1214-Y1260 HydrophobicContact CB-CE2 3.93Å; E1214-Y1260 PolarHBondContact N-O 3.26Å; G1215-Y1260 VanDerWaalsContact C-CD1 3.49Å; G1215-Y1260 PolarHBondContact N-O 2.86Å; G1215-Y1260 VanDerWaalsContact O-CD1 3.31Å; G1215-Y1260 WeakPolarHBondContact O-CD1 3.43Å; G1215-Y1260 PolarHBondContact O-N 2.83Å; N1235-Y1260 PolarHBondContact ND2-OH 3.07Å; N1235-Y1260 PolarHBondContact OD1-OH 3.17Å; Y1260-G1264 WeakPolarHBondContact CA-O 3.24Å |
| 1261 | S | 90 | Very high | 87 | Confident | 9 Ų | 9 | 38.2 Ų | 38.2 | 6% | 0.063 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | -177.7 | 176.4 | 69.9 | 0 | 0 | 0 | 0 | 110.1 | P1179 E1211 S1212 G1263 G1264 | P1179-S1261 WeakPolarHBondContact CD-OG 3.38Å; E1211-S1261 VanDerWaalsContact CB-OG 3.29Å; E1211-S1261 WeakPolarHBondContact CB-OG 3.49Å; S1212-S1261 WeakPolarHBondContact O-CB 3.34Å; S1261-G1263 PolarHBondContact O-N 3.06Å; S1261-G1263 PolarHBondContact OG-N 3.33Å; S1261-G1263 VanDerWaalsContact OG-N 3.17Å; S1261-G1264 PolarHBondContact N-O 3Å; S1261-G1264 PolarHBondContact O-N 2.93Å |
| 1262 | R | 82.9 | Confident | 87 | Confident | 124 Ų | 124 | 37.1 Ų | 37.1 | 47% | 0.468 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -25 | 170.6 | -66.9 | -175.1 | -89.1 | 166.7 | 0.7 | 113.1 | N1081 F1175 E1211 E1214 G1264 | N1081-R1262 WeakPolarHBondContact CA-O 3.35Å; F1175-R1262 HydrophobicContact CD1-CB 3.79Å; F1175-R1262 HydrophobicContact CD2-CB 4.02Å; F1175-R1262 WeakPolarHBondContact CD2-O 3.25Å; F1175-R1262 HydrophobicContact CE1-CB 3.75Å; F1175-R1262 HydrophobicContact CE1-CG 4.33Å; F1175-R1262 HydrophobicContact CE2-CB 3.93Å; F1175-R1262 HydrophobicContact CG-CB 3.94Å; F1175-R1262 HydrophobicContact CZ-CB 3.81Å; F1175-R1262 HydrophobicContact CZ-CG 4.27Å; E1211-R1262 HydrophobicContact CG-CB 4.3Å; E1214-R1262 WeakPolarHBondContact OE1-CD 3.34Å; E1214-R1262 WeakPolarHBondContact OE1-CG 3.32Å; E1214-R1262 IonicContact OE1-NE 2.73Å; E1214-R1262 PolarHBondContact OE1-NE 3.16Å; R1262-G1264 VanDerWaalsContact C-N 3.29Å; R1262-G1264 PolarHBondContact O-N 3.05Å |
| 1263 | G | 80.6 | Confident | 87.1 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -23.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | C1082 K1176 S1261 | C1082-G1263 WeakPolarHBondContact CB-O 3.28Å; C1082-G1263 PolarHBondContact N-O 2.7Å; C1082-G1263 VanDerWaalsContact N-O 3.09Å; C1082-G1263 PolarHBondContact SG-O 3.25Å; K1176-G1263 WeakPolarHBondContact O-CA 2.89Å; S1261-G1263 PolarHBondContact O-N 3.06Å; S1261-G1263 PolarHBondContact OG-N 3.33Å; S1261-G1263 VanDerWaalsContact OG-N 3.17Å |
| 1264 | G | 84.8 | Confident | 86.9 | Confident | 23 Ų | 23 | 32.3 Ų | 32.3 | 24% | 0.237 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.5 | -156 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y1260 S1261 R1262 | Y1260-G1264 WeakPolarHBondContact CA-O 3.24Å; S1261-G1264 PolarHBondContact N-O 3Å; S1261-G1264 PolarHBondContact O-N 2.93Å; R1262-G1264 VanDerWaalsContact C-N 3.29Å; R1262-G1264 PolarHBondContact O-N 3.05Å |
| 1265 | V | 84 | Confident | 86.7 | Confident | 83 Ų | 83 | 31.6 Ų | 31.6 | 50% | 0.503 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 123.5 | 178.3 | 172.9 | 0 | 0 | 0 | 0 | 109.7 | Y1258 | Y1258-V1265 HydrophobicContact CD1-CG1 4.5Å; Y1258-V1265 HydrophobicContact CD2-CB 4.5Å; Y1258-V1265 HydrophobicContact CD2-CG1 3.49Å; Y1258-V1265 VanDerWaalsContact CD2-CG1 3.49Å; Y1258-V1265 HydrophobicContact CE2-CB 4.29Å; Y1258-V1265 HydrophobicContact CE2-CG1 3.49Å; Y1258-V1265 VanDerWaalsContact CE2-CG1 3.49Å; Y1258-V1265 HydrophobicContact CE2-CG2 4.02Å; Y1258-V1265 HydrophobicContact CG-CG1 4Å |
| 1266 | G | 85.4 | Confident | 86.3 | Confident | 9 Ų | 9 | 33 Ų | 33 | 9% | 0.093 | 18% | 0.178 | C | C | . | . | trans | -78.5 | -177.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | P1179 G1259 | P1179-G1266 WeakPolarHBondContact O-CA 3.32Å; G1259-G1266 WeakPolarHBondContact O-CA 3.23Å; G1259-G1266 PolarHBondContact O-N 3.11Å | ||
| 1267 | T | 85.5 | Confident | 85.6 | Confident | 64 Ų | 64 | 29.7 Ų | 29.7 | 39% | 0.393 | 17% | 0.166 | S | C | . | . | P | Polyproline II helix | trans | -66.2 | 135.2 | -179 | -44 | 0 | 0 | 0 | 0 | 111.2 | P1179 R1180 F1182 | P1179-T1267 PolarHBondContact O-N 2.9Å; P1179-T1267 VanDerWaalsContact O-N 3.16Å; R1180-T1267 WeakPolarHBondContact CA-OG1 3.4Å; R1180-T1267 VanDerWaalsContact O-CB 3.25Å; R1180-T1267 WeakPolarHBondContact O-CB 3.5Å; R1180-T1267 PolarHBondContact O-OG1 2.81Å; F1182-T1267 HydrophobicContact CB-CG2 4.36Å; F1182-T1267 WeakPolarHBondContact CB-O 3.47Å; F1182-T1267 HydrophobicContact CD1-CG2 4.27Å |
| 1268 | M | 88.6 | Confident | 84.9 | Confident | 41 Ų | 41 | 30.6 Ų | 30.6 | 20% | 0.202 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -77.5 | 146.7 | 178.3 | -58.7 | -177.4 | -176.6 | 0 | 0 | 111.9 | R1256 Y1258 | R1256-M1268 HydrophobicContact CB-CB 4.07Å; R1256-M1268 HydrophobicContact CB-SD 4.43Å; R1256-M1268 HydrophobicContact CG-CB 4.47Å; Y1258-M1268 HydrophobicContact CD1-CE 4.39Å; Y1258-M1268 HydrophobicContact CD1-CG 4.17Å |
| 1269 | S | 87.7 | Confident | 83.9 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -51.5 | 136.7 | 177.1 | 64.7 | 0 | 0 | 0 | 0 | 113.1 | P1183 R1256 V1257 | P1183-S1269 VanDerWaalsContact O-CB 3.3Å; P1183-S1269 WeakPolarHBondContact O-CB 3.34Å; R1256-S1269 WeakPolarHBondContact CA-OG 3.24Å; R1256-S1269 VanDerWaalsContact CD-O 3.31Å; R1256-S1269 WeakPolarHBondContact CD-O 3.35Å; R1256-S1269 PolarHBondContact NE-O 3.23Å; V1257-S1269 PolarHBondContact N-OG 2.76Å; V1257-S1269 WeakPolarHBondContact O-CB 3.19Å; V1257-S1269 PolarHBondContact O-N 2.9Å |
| 1270 | S | 77.1 | Confident | 82.8 | Confident | 73 Ų | 73 | 38.9 Ų | 38.9 | 51% | 0.51 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -120 | 142 | 172.7 | -166.8 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1271 | P | 79.2 | Confident | 81.8 | Confident | 49 Ų | 49 | 45.2 Ų | 45.2 | 32% | 0.318 | 24% | 0.241 | S | C | . | . | S | Bend | cis | -73.2 | 177.8 | -3.4 | 30.5 | -35 | 0 | 0 | 0 | 113.3 | N1273 D1293 R1295 | P1271-N1273 PolarHBondContact O-N 2.86Å; P1271-D1293 VanDerWaalsContact CB-O 3.31Å; P1271-D1293 WeakPolarHBondContact CB-O 3.28Å; P1271-R1295 HydrophobicContact CG-CB 4.46Å |
| 1272 | V | 83.5 | Confident | 80.8 | Confident | 23 Ų | 23 | 52.4 Ų | 52.4 | 14% | 0.139 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 127.1 | 170.3 | -177 | 0 | 0 | 0 | 0 | 108.6 | N1254 Q1274 D1293 F1294 R1295 | N1254-V1272 HydrophobicContact CB-CG1 3.78Å; V1272-Q1274 HydrophobicContact CG1-CG 4.37Å; V1272-Q1274 PolarHBondContact O-N 2.86Å; V1272-D1293 PolarHBondContact N-O 2.79Å; V1272-F1294 VanDerWaalsContact O-CA 3.29Å; V1272-F1294 WeakPolarHBondContact O-CA 3.18Å; V1272-F1294 WeakPolarHBondContact O-CB 3.07Å; V1272-R1295 PolarHBondContact O-N 2.67Å; V1272-R1295 VanDerWaalsContact O-N 3.1Å |
| 1273 | N | 85.9 | Confident | 79.9 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 3% | 0.032 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 111.2 | 170.4 | -81.4 | -90.2 | 0 | 0 | 0 | 108.9 | L1188 N1254 L1255 P1271 | L1188-N1273 HydrophobicContact CD1-CB 4.07Å; N1254-N1273 CarbonylContact C-O 3.46Å; L1255-N1273 PolarHBondContact N-O 3.33Å; L1255-N1273 PolarHBondContact O-N 2.78Å; L1255-N1273 VanDerWaalsContact O-N 3.13Å; P1271-N1273 PolarHBondContact O-N 2.86Å |
| 1274 | Q | 86.5 | Confident | 79.1 | Confident | 23 Ų | 23 | 53.3 Ų | 53.3 | 11% | 0.107 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 137.5 | 171 | -79.4 | -172 | 4.1 | 0 | 0 | 110 | Y1253 N1254 V1272 F1294 R1295 Y1296 N1297 | Y1253-Q1274 CarbonylContact O-C 3.44Å; Y1253-Q1274 VanDerWaalsContact O-CA 3.27Å; Y1253-Q1274 WeakPolarHBondContact O-CA 3.44Å; N1254-Q1274 WeakPolarHBondContact OD1-CG 3.37Å; N1254-Q1274 PolarHBondContact OD1-NE2 2.83Å; V1272-Q1274 HydrophobicContact CG1-CG 4.37Å; V1272-Q1274 PolarHBondContact O-N 2.86Å; Q1274-F1294 HydrophobicContact CG-CB 4.43Å; Q1274-R1295 PolarHBondContact N-O 2.95Å; Q1274-R1295 VanDerWaalsContact O-O 3.09Å; Q1274-Y1296 HydrophobicContact CB-CD2 3.5Å; Q1274-Y1296 VanDerWaalsContact CB-CD2 3.5Å; Q1274-Y1296 HydrophobicContact CB-CE2 4.02Å; Q1274-Y1296 HydrophobicContact CB-CG 4.48Å; Q1274-Y1296 CarbonylContact O-C 3.5Å; Q1274-Y1296 VanDerWaalsContact O-CA 3.31Å; Q1274-Y1296 WeakPolarHBondContact O-CA 3.3Å; Q1274-N1297 PolarHBondContact O-N 3.39Å |
| 1275 | F | 85.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 159.5 | 175.3 | 72 | -88.7 | 0 | 0 | 0 | 112.4 | L1188 I1197 L1247 Y1253 L1255 N1297 I1299 | L1188-F1275 HydrophobicContact CD1-CB 3.76Å; L1188-F1275 HydrophobicContact CD1-CD1 3.64Å; L1188-F1275 HydrophobicContact CD1-CG 3.91Å; I1197-F1275 HydrophobicContact CD1-CD1 4.15Å; I1197-F1275 HydrophobicContact CD1-CD2 4Å; I1197-F1275 HydrophobicContact CD1-CE1 3.68Å; I1197-F1275 HydrophobicContact CD1-CE2 3.57Å; I1197-F1275 HydrophobicContact CD1-CG 4.28Å; I1197-F1275 HydrophobicContact CD1-CZ 3.37Å; L1247-F1275 HydrophobicContact CD1-CE2 3.77Å; L1247-F1275 HydrophobicContact CD1-CZ 3.97Å; L1247-F1275 HydrophobicContact CD2-CE2 4.26Å; L1247-F1275 HydrophobicContact CD2-CZ 4.05Å; Y1253-F1275 AromaticContact CD2-CE2 3.95Å; Y1253-F1275 HydrophobicContact CD2-CE2 3.95Å; Y1253-F1275 HydrophobicContact CD2-CZ 4.16Å; Y1253-F1275 HydrophobicContact CG-CE2 4.25Å; Y1253-F1275 AromaticContact CG-CZ 4Å; Y1253-F1275 HydrophobicContact CG-CZ 4Å; Y1253-F1275 PolarHBondContact N-O 2.91Å; Y1253-F1275 PolarHBondContact O-N 3.13Å; L1255-F1275 HydrophobicContact CB-CD1 4.28Å; L1255-F1275 HydrophobicContact CB-CE1 3.87Å; L1255-F1275 HydrophobicContact CD1-CE1 3.84Å; F1275-N1297 VanDerWaalsContact CA-O 3.23Å; F1275-N1297 WeakPolarHBondContact CA-O 3.46Å; F1275-N1297 HydrophobicContact CB-CB 4.17Å; F1275-N1297 WeakPolarHBondContact CB-O 3.48Å; F1275-I1299 HydrophobicContact CB-CD1 3.95Å; F1275-I1299 HydrophobicContact CD2-CD1 3.99Å; F1275-I1299 HydrophobicContact CG-CD1 4.12Å |
| 1276 | Q | 84.4 | Confident | 76.5 | Confident | 31 Ų | 31 | 56.7 Ų | 56.7 | 15% | 0.145 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 135.3 | 175.5 | -179.9 | 171.9 | -21.2 | 0 | 0 | 109.9 | D1250 I1278 Y1296 N1297 I1299 | D1250-Q1276 PolarHBondContact OD1-NE2 3.01Å; Q1276-I1278 HydrophobicContact CG-CG1 4.14Å; Q1276-Y1296 PolarHBondContact OE1-OH 2.82Å; Q1276-N1297 PolarHBondContact N-O 2.79Å; Q1276-I1299 PolarHBondContact O-N 3.37Å |
| 1277 | I | 79 | Confident | 75 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.015 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 115.2 | 173.4 | -59.4 | -170.9 | 0 | 0 | 0 | 108.9 | I1197 L1247 T1249 D1250 I1299 K1301 | I1197-I1277 HydrophobicContact CG2-CD1 4.23Å; I1197-I1277 HydrophobicContact CG2-CG1 4.49Å; L1247-I1277 HydrophobicContact CB-CD1 3.43Å; L1247-I1277 VanDerWaalsContact CB-CD1 3.43Å; L1247-I1277 HydrophobicContact CB-CG1 4.39Å; L1247-I1277 HydrophobicContact CD1-CD1 3.82Å; L1247-I1277 HydrophobicContact CG-CD1 4.28Å; T1249-I1277 HydrophobicContact CG2-CG2 4.11Å; D1250-I1277 PolarHBondContact N-O 3.09Å; I1277-I1299 WeakPolarHBondContact CA-O 3.06Å; I1277-K1301 HydrophobicContact CG2-CB 4.23Å |
| 1278 | I | 77.1 | Confident | 73.6 | Confident | 19 Ų | 19 | 58.6 Ų | 58.6 | 10% | 0.097 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 145.3 | -179.1 | -59.4 | -167.3 | 0 | 0 | 0 | 110.3 | Q1276 K1282 C1283 F1298 I1299 K1301 | Q1276-I1278 HydrophobicContact CG-CG1 4.14Å; I1278-K1282 HydrophobicContact CG2-CB 3.73Å; I1278-C1283 HydrophobicContact CB-CB 4.38Å; I1278-C1283 HydrophobicContact CG2-CB 4.2Å; I1278-F1298 HydrophobicContact CD1-CB 4.46Å; I1278-F1298 HydrophobicContact CD1-CD1 3.15Å; I1278-F1298 HydrophobicContact CD1-CE1 3.5Å; I1278-F1298 VanDerWaalsContact CD1-CE1 3.5Å; I1278-F1298 HydrophobicContact CD1-CG 4.12Å; I1278-F1298 HydrophobicContact CG1-CD1 4.09Å; I1278-I1299 PolarHBondContact N-O 2.95Å; I1278-K1301 PolarHBondContact O-N 2.96Å |
| 1279 | T | 72.6 | Confident | 71.8 | Confident | 39 Ų | 39 | 63.7 Ų | 63.7 | 24% | 0.239 | 35% | 0.347 | C | S | . | . | trans | -61.8 | 138.8 | 171.7 | 56.4 | 0 | 0 | 0 | 0 | 110.8 | E1281 K1282 C1283 | T1279-E1281 PolarHBondContact O-N 2.93Å; T1279-K1282 PolarHBondContact O-N 3.18Å; T1279-C1283 PolarHBondContact O-N 3.16Å | ||
| 1280 | K | 67.3 | Low | 70 | Confident | 143 Ų | 143 | 68 Ų | 68 | 62% | 0.622 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -56.9 | -29 | -172.9 | -161.5 | 176.1 | -178.7 | -177.3 | 0 | 113.3 | K1282 C1283 | K1280-K1282 PolarHBondContact O-N 2.95Å; K1280-C1283 PolarHBondContact O-N 3.27Å |
| 1281 | E | 69.7 | Low | 68.7 | Low | 185 Ų | 185 | 65.1 Ų | 65.1 | 86% | 0.864 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -58 | -32.2 | 175 | -63.5 | 155.1 | -147.6 | 0 | 0 | 113.8 | T1279 | T1279-E1281 PolarHBondContact O-N 2.93Š|
| 1282 | K | 68.4 | Low | 67.4 | Low | 161 Ų | 161 | 68.1 Ų | 68.1 | 70% | 0.7 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -107 | -2.5 | -178.9 | -64.5 | -175.7 | -179.7 | -179.6 | 0 | 113.2 | I1278 T1279 K1280 | I1278-K1282 HydrophobicContact CG2-CB 3.73Å; T1279-K1282 PolarHBondContact O-N 3.18Å; K1280-K1282 PolarHBondContact O-N 2.95Å |
| 1283 | C | 65.6 | Low | 65.8 | Low | 16 Ų | 16 | 72.4 Ų | 72.4 | 11% | 0.108 | 39% | 0.393 | C | S | . | . | trans | -94.3 | 125.6 | -168 | -167.7 | 0 | 0 | 0 | 0 | 111.6 | I1278 T1279 K1280 P1285 C1300 | I1278-C1283 HydrophobicContact CB-CB 4.38Å; I1278-C1283 HydrophobicContact CG2-CB 4.2Å; T1279-C1283 PolarHBondContact O-N 3.16Å; K1280-C1283 PolarHBondContact O-N 3.27Å; C1283-P1285 WeakPolarHBondContact O-CD 3.03Å; C1283-C1300 HydrophobicContact CB-CB 3.73Å; C1283-C1300 WeakPolarHBondContact CB-SG 3.27Å; C1283-C1300 WeakPolarHBondContact SG-CA 3.46Å; C1283-C1300 WeakPolarHBondContact SG-CB 3.39Å; C1283-C1300 PolarHBondContact SG-N 3.47Å; C1283-C1300 VanDerWaalsContact SG-N 3.39Å; C1283-C1300 CovalentContact SG-SG 2.03Å; C1283-C1300 PolarHBondContact SG-SG 3.45Å | ||
| 1284 | I | 62.5 | Low | 64.1 | Low | 128 Ų | 128 | 75 Ų | 75 | 66% | 0.656 | 41% | 0.405 | S | S | * | . | trans | -92.2 | 111 | 166 | -57.8 | 173.7 | 0 | 0 | 0 | 107 | G1286 A1287 | I1284-G1286 PolarHBondContact O-N 2.91Å; I1284-A1287 HydrophobicContact CB-CB 4.26Å; I1284-A1287 HydrophobicContact CG2-CB 4.46Å; I1284-A1287 PolarHBondContact O-N 2.8Å | ||
| 1285 | P | 57.6 | Low | 62.7 | Low | 108 Ų | 108 | 78.3 Ų | 78.3 | 70% | 0.701 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 126.3 | -179.2 | -20.9 | 32.3 | 0 | 0 | 0 | 111.2 | C1283 | C1283-P1285 WeakPolarHBondContact O-CD 3.03Š|
| 1286 | G | 56.7 | Low | 61.9 | Low | 68 Ų | 68 | 78.8 Ų | 78.8 | 70% | 0.701 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.5 | 5.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | I1284 T1288 | I1284-G1286 PolarHBondContact O-N 2.91Å; G1286-T1288 PolarHBondContact O-N 3.37Å; G1286-T1288 VanDerWaalsContact O-N 3.14Å |
| 1287 | A | 53.9 | Low | 60.9 | Low | 33 Ų | 33 | 78.1 Ų | 78.1 | 27% | 0.273 | 42% | 0.416 | S | S | . | . | trans | -68.1 | 110.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I1284 F1298 | I1284-A1287 HydrophobicContact CB-CB 4.26Å; I1284-A1287 HydrophobicContact CG2-CB 4.46Å; I1284-A1287 PolarHBondContact O-N 2.8Å; A1287-F1298 HydrophobicContact CB-CB 4.47Å; A1287-F1298 HydrophobicContact CB-CD2 3.91Å; A1287-F1298 PolarHBondContact O-N 2.9Å | ||
| 1288 | T | 57.3 | Low | 60.5 | Low | 81 Ų | 81 | 81.6 Ų | 81.6 | 50% | 0.497 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 140.4 | 175.7 | 56.2 | 0 | 0 | 0 | 0 | 110.3 | G1286 Y1296 N1297 | G1286-T1288 PolarHBondContact O-N 3.37Å; G1286-T1288 VanDerWaalsContact O-N 3.14Å; T1288-Y1296 CarbonylContact C-O 3.53Å; T1288-Y1296 VanDerWaalsContact CA-O 3.31Å; T1288-Y1296 WeakPolarHBondContact CA-O 3.46Å; T1288-N1297 WeakPolarHBondContact CG2-OD1 3.46Å |
| 1289 | W | 50.6 | Low | 60.1 | Low | 147 Ų | 147 | 81.1 Ų | 81.1 | 56% | 0.557 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 117.2 | 173.2 | -173.9 | 78.1 | 0 | 0 | 0 | 109 | F1294 Y1296 | W1289-F1294 HydrophobicContact CE3-CD2 4.46Å; W1289-F1294 AromaticContact CE3-CE2 3.81Å; W1289-F1294 HydrophobicContact CE3-CE2 3.81Å; W1289-F1294 HydrophobicContact CE3-CZ 4.36Å; W1289-F1294 HydrophobicContact CH2-CE2 4.45Å; W1289-F1294 HydrophobicContact CH2-CZ 4.18Å; W1289-F1294 HydrophobicContact CZ3-CD2 4.19Å; W1289-F1294 HydrophobicContact CZ3-CE1 4.35Å; W1289-F1294 AromaticContact CZ3-CE2 3.33Å; W1289-F1294 HydrophobicContact CZ3-CE2 3.33Å; W1289-F1294 AromaticContact CZ3-CZ 3.43Å; W1289-F1294 HydrophobicContact CZ3-CZ 3.43Å; W1289-F1294 VanDerWaalsContact CZ3-CZ 3.43Å; W1289-Y1296 PolarHBondContact N-O 2.72Å; W1289-Y1296 PolarHBondContact O-N 2.8Å |
| 1290 | D | 50.2 | Low | 60 | Low | 93 Ų | 93 | 80.5 Ų | 80.5 | 50% | 0.497 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 100.9 | 178.1 | -80.3 | -23.7 | 0 | 0 | 0 | 108.6 | R1295 | D1290-R1295 WeakPolarHBondContact OD1-CB 3.31Å; D1290-R1295 WeakPolarHBondContact OD1-CG 3.05Å; D1290-R1295 IonicContact OD1-CZ 3.97Å; D1290-R1295 IonicContact OD1-NE 2.69Å; D1290-R1295 PolarHBondContact OD1-NE 2.97Å; D1290-R1295 IonicContact OD1-NH2 3.33Å; D1290-R1295 IonicContact OD2-CZ 3.54Å; D1290-R1295 IonicContact OD2-NE 3.57Å; D1290-R1295 IonicContact OD2-NH2 3.99Å; D1290-R1295 PolarHBondContact OD2-NH2 2.86Å |
| 1291 | G | 48 | Very low | 60.1 | Low | 12 Ų | 12 | 77.4 Ų | 77.4 | 12% | 0.124 | 41% | 0.412 | C | S | . | . | trans | -89 | 165.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | D1293 F1294 | G1291-D1293 VanDerWaalsContact C-N 3.26Å; G1291-D1293 PolarHBondContact O-N 2.8Å; G1291-F1294 PolarHBondContact N-O 3.08Å | ||
| 1292 | P | 52 | Low | 59.6 | Low | 112 Ų | 112 | 69.4 Ų | 69.4 | 73% | 0.727 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -57.9 | -36.8 | -178 | 19.4 | -29.4 | 0 | 0 | 0 | 113.1 | ||
| 1293 | D | 50.2 | Low | 58.8 | Low | 112 Ų | 112 | 68.6 Ų | 68.6 | 60% | 0.599 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -109.2 | -12.2 | -172.9 | -57.5 | -46.6 | 0 | 0 | 0 | 114.9 | P1271 V1272 G1291 | P1271-D1293 VanDerWaalsContact CB-O 3.31Å; P1271-D1293 WeakPolarHBondContact CB-O 3.28Å; V1272-D1293 PolarHBondContact N-O 2.79Å; G1291-D1293 VanDerWaalsContact C-N 3.26Å; G1291-D1293 PolarHBondContact O-N 2.8Å |
| 1294 | F | 51.8 | Low | 57.9 | Low | 62 Ų | 62 | 72.2 Ų | 72.2 | 27% | 0.272 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 139.2 | -177 | 58.1 | -84.8 | 0 | 0 | 0 | 112.2 | V1272 Q1274 W1289 G1291 | V1272-F1294 VanDerWaalsContact O-CA 3.29Å; V1272-F1294 WeakPolarHBondContact O-CA 3.18Å; V1272-F1294 WeakPolarHBondContact O-CB 3.07Å; Q1274-F1294 HydrophobicContact CG-CB 4.43Å; W1289-F1294 HydrophobicContact CE3-CD2 4.46Å; W1289-F1294 AromaticContact CE3-CE2 3.81Å; W1289-F1294 HydrophobicContact CE3-CE2 3.81Å; W1289-F1294 HydrophobicContact CE3-CZ 4.36Å; W1289-F1294 HydrophobicContact CH2-CE2 4.45Å; W1289-F1294 HydrophobicContact CH2-CZ 4.18Å; W1289-F1294 HydrophobicContact CZ3-CD2 4.19Å; W1289-F1294 HydrophobicContact CZ3-CE1 4.35Å; W1289-F1294 AromaticContact CZ3-CE2 3.33Å; W1289-F1294 HydrophobicContact CZ3-CE2 3.33Å; W1289-F1294 AromaticContact CZ3-CZ 3.43Å; W1289-F1294 HydrophobicContact CZ3-CZ 3.43Å; W1289-F1294 VanDerWaalsContact CZ3-CZ 3.43Å; G1291-F1294 PolarHBondContact N-O 3.08Å |
| 1295 | R | 56 | Low | 57.1 | Low | 91 Ų | 91 | 73.2 Ų | 73.2 | 34% | 0.343 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 116.4 | 171.8 | 170.1 | 171.3 | -95.7 | -166.1 | -8.3 | 108.5 | P1271 V1272 Q1274 D1290 | P1271-R1295 HydrophobicContact CG-CB 4.46Å; V1272-R1295 PolarHBondContact O-N 2.67Å; V1272-R1295 VanDerWaalsContact O-N 3.1Å; Q1274-R1295 PolarHBondContact N-O 2.95Å; Q1274-R1295 VanDerWaalsContact O-O 3.09Å; D1290-R1295 WeakPolarHBondContact OD1-CB 3.31Å; D1290-R1295 WeakPolarHBondContact OD1-CG 3.05Å; D1290-R1295 IonicContact OD1-CZ 3.97Å; D1290-R1295 IonicContact OD1-NE 2.69Å; D1290-R1295 PolarHBondContact OD1-NE 2.97Å; D1290-R1295 IonicContact OD1-NH2 3.33Å; D1290-R1295 IonicContact OD2-CZ 3.54Å; D1290-R1295 IonicContact OD2-NE 3.57Å; D1290-R1295 IonicContact OD2-NH2 3.99Å; D1290-R1295 PolarHBondContact OD2-NH2 2.86Å |
| 1296 | Y | 68.6 | Low | 56.3 | Low | 11 Ų | 11 | 79.7 Ų | 79.7 | 4% | 0.043 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 120.2 | -174.8 | -164.2 | -95.5 | 0 | 0 | 0 | 111.3 | R1252 Q1274 Q1276 T1288 W1289 F1298 | R1252-Y1296 HydrophobicContact CG-CE2 3.88Å; R1252-Y1296 PolarHBondContact NE-OH 2.85Å; R1252-Y1296 PolarHBondContact NH2-OH 3.3Å; Q1274-Y1296 HydrophobicContact CB-CD2 3.5Å; Q1274-Y1296 VanDerWaalsContact CB-CD2 3.5Å; Q1274-Y1296 HydrophobicContact CB-CE2 4.02Å; Q1274-Y1296 HydrophobicContact CB-CG 4.48Å; Q1274-Y1296 CarbonylContact O-C 3.5Å; Q1274-Y1296 VanDerWaalsContact O-CA 3.31Å; Q1274-Y1296 WeakPolarHBondContact O-CA 3.3Å; Q1276-Y1296 PolarHBondContact OE1-OH 2.82Å; T1288-Y1296 CarbonylContact C-O 3.53Å; T1288-Y1296 VanDerWaalsContact CA-O 3.31Å; T1288-Y1296 WeakPolarHBondContact CA-O 3.46Å; W1289-Y1296 PolarHBondContact N-O 2.72Å; W1289-Y1296 PolarHBondContact O-N 2.8Å; Y1296-F1298 HydrophobicContact CD1-CD2 4.37Å; Y1296-F1298 HydrophobicContact CD1-CE1 4.41Å; Y1296-F1298 HydrophobicContact CD1-CE2 4.03Å; Y1296-F1298 HydrophobicContact CD1-CZ 4.1Å; Y1296-F1298 AromaticContact CE1-CD1 3.88Å; Y1296-F1298 HydrophobicContact CE1-CD1 3.88Å; Y1296-F1298 HydrophobicContact CE1-CD2 4.29Å; Y1296-F1298 AromaticContact CE1-CE1 3.47Å; Y1296-F1298 HydrophobicContact CE1-CE1 3.47Å; Y1296-F1298 VanDerWaalsContact CE1-CE1 3.47Å; Y1296-F1298 AromaticContact CE1-CE2 3.86Å; Y1296-F1298 HydrophobicContact CE1-CE2 3.86Å; Y1296-F1298 HydrophobicContact CE1-CG 4.33Å; Y1296-F1298 AromaticContact CE1-CZ 3.47Å; Y1296-F1298 HydrophobicContact CE1-CZ 3.47Å; Y1296-F1298 VanDerWaalsContact CE1-CZ 3.47Å |
| 1297 | N | 64.6 | Low | 55.5 | Low | 17 Ų | 17 | 81.6 Ų | 81.6 | 9% | 0.091 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125.1 | -176.6 | -61.5 | -85.2 | 0 | 0 | 0 | 111.9 | L1188 Q1274 F1275 Q1276 T1288 I1299 | L1188-N1297 HydrophobicContact CD1-CB 4.42Å; Q1274-N1297 PolarHBondContact O-N 3.39Å; F1275-N1297 VanDerWaalsContact CA-O 3.23Å; F1275-N1297 WeakPolarHBondContact CA-O 3.46Å; F1275-N1297 HydrophobicContact CB-CB 4.17Å; F1275-N1297 WeakPolarHBondContact CB-O 3.48Å; Q1276-N1297 PolarHBondContact N-O 2.79Å; T1288-N1297 WeakPolarHBondContact CG2-OD1 3.46Å; N1297-I1299 HydrophobicContact CB-CG1 4.45Å |
| 1298 | F | 69.5 | Low | 55 | Low | 76 Ų | 76 | 83 Ų | 83 | 33% | 0.333 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 119.8 | 169.1 | -68.5 | -69.4 | 0 | 0 | 0 | 110.8 | I1278 A1287 Y1296 | I1278-F1298 HydrophobicContact CD1-CB 4.46Å; I1278-F1298 HydrophobicContact CD1-CD1 3.15Å; I1278-F1298 HydrophobicContact CD1-CE1 3.5Å; I1278-F1298 VanDerWaalsContact CD1-CE1 3.5Å; I1278-F1298 HydrophobicContact CD1-CG 4.12Å; I1278-F1298 HydrophobicContact CG1-CD1 4.09Å; A1287-F1298 HydrophobicContact CB-CB 4.47Å; A1287-F1298 HydrophobicContact CB-CD2 3.91Å; A1287-F1298 PolarHBondContact O-N 2.9Å; Y1296-F1298 HydrophobicContact CD1-CD2 4.37Å; Y1296-F1298 HydrophobicContact CD1-CE1 4.41Å; Y1296-F1298 HydrophobicContact CD1-CE2 4.03Å; Y1296-F1298 HydrophobicContact CD1-CZ 4.1Å; Y1296-F1298 AromaticContact CE1-CD1 3.88Å; Y1296-F1298 HydrophobicContact CE1-CD1 3.88Å; Y1296-F1298 HydrophobicContact CE1-CD2 4.29Å; Y1296-F1298 AromaticContact CE1-CE1 3.47Å; Y1296-F1298 HydrophobicContact CE1-CE1 3.47Å; Y1296-F1298 VanDerWaalsContact CE1-CE1 3.47Å; Y1296-F1298 AromaticContact CE1-CE2 3.86Å; Y1296-F1298 HydrophobicContact CE1-CE2 3.86Å; Y1296-F1298 HydrophobicContact CE1-CG 4.33Å; Y1296-F1298 AromaticContact CE1-CZ 3.47Å; Y1296-F1298 HydrophobicContact CE1-CZ 3.47Å; Y1296-F1298 VanDerWaalsContact CE1-CZ 3.47Å |
| 1299 | I | 69.6 | Low | 54.8 | Low | 9 Ų | 9 | 83.2 Ų | 83.2 | 5% | 0.046 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 117.8 | -174 | -58.1 | 175.4 | 0 | 0 | 0 | 110.1 | L1188 A1190 I1197 F1275 Q1276 I1277 I1278 N1297 | L1188-I1299 HydrophobicContact CB-CD1 3.94Å; A1190-I1299 HydrophobicContact CB-CG2 3.76Å; I1197-I1299 HydrophobicContact CB-CD1 4.3Å; I1197-I1299 HydrophobicContact CD1-CD1 4.4Å; I1197-I1299 HydrophobicContact CG2-CD1 3.72Å; I1197-I1299 HydrophobicContact CG2-CG2 3.94Å; F1275-I1299 HydrophobicContact CB-CD1 3.95Å; F1275-I1299 HydrophobicContact CD2-CD1 3.99Å; F1275-I1299 HydrophobicContact CG-CD1 4.12Å; Q1276-I1299 PolarHBondContact O-N 3.37Å; I1277-I1299 WeakPolarHBondContact CA-O 3.06Å; I1278-I1299 PolarHBondContact N-O 2.95Å; N1297-I1299 HydrophobicContact CB-CG1 4.45Å |
| 1300 | C | 71.2 | Confident | 54.9 | Low | 25 Ų | 25 | 80.6 Ų | 80.6 | 17% | 0.169 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 136.9 | -178.6 | -49.8 | 0 | 0 | 0 | 0 | 112 | C1283 | C1283-C1300 HydrophobicContact CB-CB 3.73Å; C1283-C1300 WeakPolarHBondContact CB-SG 3.27Å; C1283-C1300 WeakPolarHBondContact SG-CA 3.46Å; C1283-C1300 WeakPolarHBondContact SG-CB 3.39Å; C1283-C1300 PolarHBondContact SG-N 3.47Å; C1283-C1300 VanDerWaalsContact SG-N 3.39Å; C1283-C1300 CovalentContact SG-SG 2.03Å; C1283-C1300 PolarHBondContact SG-SG 3.45Å |
| 1301 | K | 69.4 | Low | 55.1 | Low | 78 Ų | 78 | 79.7 Ų | 79.7 | 34% | 0.339 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 130.6 | 176.8 | -168.6 | 177.4 | -177.9 | 176.9 | 0 | 112.7 | N1195 T1249 I1277 I1278 | N1195-K1301 WeakPolarHBondContact OD1-CE 3.37Å; T1249-K1301 HydrophobicContact CG2-CD 4.07Å; I1277-K1301 HydrophobicContact CG2-CB 4.23Å; I1278-K1301 PolarHBondContact O-N 2.96Å |
| 1302 | G | 58.7 | Low | 55.5 | Low | 18 Ų | 18 | 82.2 Ų | 82.2 | 19% | 0.186 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 154 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1303 | H | 52 | Low | 55.9 | Low | 144 Ų | 144 | 81.7 Ų | 81.7 | 67% | 0.667 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -85.5 | 142.3 | 176.1 | -99.6 | -57.5 | 0 | 0 | 0 | 111.6 | I1305 | H1303-I1305 PolarHBondContact O-N 3.06Š|
| 1304 | P | 46.3 | Very low | 56.4 | Low | 92 Ų | 92 | 81.7 Ų | 81.7 | 60% | 0.597 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 125.6 | 166.7 | 26.4 | -31.2 | 0 | 0 | 0 | 109.2 | R1306 | P1304-R1306 PolarHBondContact O-N 2.84Š|
| 1305 | I | 45 | Very low | 56.6 | Low | 148 Ų | 148 | 83.6 Ų | 83.6 | 76% | 0.759 | 44% | 0.435 | S | S | * | . | trans | -57.8 | 109.6 | 171.6 | -61.7 | 168.8 | 0 | 0 | 0 | 106.8 | H1303 I1307 | H1303-I1305 PolarHBondContact O-N 3.06Å; I1305-I1307 VanDerWaalsContact C-N 3.25Å; I1305-I1307 HydrophobicContact CG2-CG1 4.2Å; I1305-I1307 PolarHBondContact O-N 3.33Å | ||
| 1306 | R | 40.8 | Very low | 56.9 | Low | 245 Ų | 245 | 84.1 Ų | 84.1 | 93% | 0.925 | 44% | 0.443 | S | S | * | . | trans | -68.2 | 90.8 | 167.4 | -81 | -173.4 | 177.6 | -177.4 | 0 | 107 | P1304 S1308 | P1304-R1306 PolarHBondContact O-N 2.84Å; R1306-S1308 PolarHBondContact O-N 3.11Å | ||
| 1307 | I | 39.8 | Very low | 56.9 | Low | 108 Ų | 108 | 87.8 Ų | 87.8 | 55% | 0.554 | 46% | 0.463 | S | S | * | . | trans | -62.3 | 109.6 | 165.3 | -60.8 | 174 | 0 | 0 | 0 | 105.4 | I1305 S1309 V1311 | I1305-I1307 VanDerWaalsContact C-N 3.25Å; I1305-I1307 HydrophobicContact CG2-CG1 4.2Å; I1305-I1307 PolarHBondContact O-N 3.33Å; I1307-S1309 PolarHBondContact O-N 2.95Å; I1307-V1311 HydrophobicContact CG2-CB 3.93Å; I1307-V1311 HydrophobicContact CG2-CG1 4.19Å | ||
| 1308 | S | 44 | Very low | 56.7 | Low | 63 Ų | 63 | 91.1 Ų | 91.1 | 44% | 0.441 | 48% | 0.48 | S | S | . | . | trans | -47.2 | 130.3 | 171.1 | 171.2 | 0 | 0 | 0 | 0 | 108.8 | R1306 T1310 V1311 | R1306-S1308 PolarHBondContact O-N 3.11Å; S1308-T1310 PolarHBondContact O-N 2.81Å; S1308-T1310 PolarHBondContact OG-OG1 2.91Å; S1308-V1311 PolarHBondContact O-N 2.96Å | ||
| 1309 | S | 53.7 | Low | 56.1 | Low | 84 Ų | 84 | 91.5 Ų | 91.5 | 59% | 0.587 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -51.9 | -23.9 | -179.4 | 52.2 | 0 | 0 | 0 | 0 | 113.1 | I1307 V1311 T1312 I1313 | I1307-S1309 PolarHBondContact O-N 2.95Å; S1309-V1311 PolarHBondContact O-N 3.03Å; S1309-T1312 WeakPolarHBondContact CA-OG1 3.39Å; S1309-T1312 PolarHBondContact O-OG1 2.85Å; S1309-I1313 WeakPolarHBondContact O-CD1 3.5Å; S1309-I1313 VanDerWaalsContact O-CG1 3.27Å; S1309-I1313 WeakPolarHBondContact O-CG1 3.45Å; S1309-I1313 PolarHBondContact O-N 2.83Å; S1309-I1313 VanDerWaalsContact O-N 3.09Å |
| 1310 | T | 52.6 | Low | 55.7 | Low | 92 Ų | 92 | 95.6 Ų | 95.6 | 56% | 0.564 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.5 | -36.9 | 174.1 | 54.1 | 0 | 0 | 0 | 0 | 113.4 | S1308 L1314 | S1308-T1310 PolarHBondContact O-N 2.81Å; S1308-T1310 PolarHBondContact OG-OG1 2.91Å; T1310-L1314 PolarHBondContact O-N 2.93Å; T1310-L1314 VanDerWaalsContact O-N 3.11Å |
| 1311 | V | 54.5 | Low | 55.4 | Low | 75 Ų | 75 | 98.9 Ų | 98.9 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -76.4 | -35.6 | -179.2 | 179.6 | 0 | 0 | 0 | 0 | 111 | I1307 S1308 S1309 L1314 L1315 | I1307-V1311 HydrophobicContact CG2-CB 3.93Å; I1307-V1311 HydrophobicContact CG2-CG1 4.19Å; S1308-V1311 PolarHBondContact O-N 2.96Å; S1309-V1311 PolarHBondContact O-N 3.03Å; V1311-L1314 PolarHBondContact O-N 2.79Å; V1311-L1315 HydrophobicContact CG1-CD1 4Å; V1311-L1315 WeakPolarHBondContact O-CB 3.49Å; V1311-L1315 PolarHBondContact O-N 3.14Å |
| 1312 | T | 54.8 | Low | 54.4 | Low | 65 Ų | 65 | 101.8 Ų | 101.8 | 40% | 0.399 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 175.5 | 0.7 | 0 | 0 | 0 | 0 | 111.5 | S1309 L1315 I1316 | S1309-T1312 WeakPolarHBondContact CA-OG1 3.39Å; S1309-T1312 PolarHBondContact O-OG1 2.85Å; T1312-L1315 PolarHBondContact O-N 2.87Å; T1312-I1316 WeakPolarHBondContact O-CD1 3.32Å; T1312-I1316 VanDerWaalsContact O-CG1 3.23Å; T1312-I1316 WeakPolarHBondContact O-CG1 3.27Å; T1312-I1316 PolarHBondContact O-N 2.89Å |
| 1313 | I | 60.8 | Low | 53.9 | Low | 101 Ų | 101 | 109 Ų | 109 | 52% | 0.518 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.1 | -41.9 | 174.8 | -67.2 | 166.2 | 0 | 0 | 0 | 110.7 | S1309 L1315 I1316 I1317 | S1309-I1313 WeakPolarHBondContact O-CD1 3.5Å; S1309-I1313 VanDerWaalsContact O-CG1 3.27Å; S1309-I1313 WeakPolarHBondContact O-CG1 3.45Å; S1309-I1313 PolarHBondContact O-N 2.83Å; S1309-I1313 VanDerWaalsContact O-N 3.09Å; I1313-L1315 PolarHBondContact O-N 2.91Å; I1313-I1316 PolarHBondContact O-N 2.93Å; I1313-I1317 HydrophobicContact CG2-CD1 3.8Å; I1313-I1317 HydrophobicContact CG2-CG1 4.44Å; I1313-I1317 VanDerWaalsContact O-CG1 3.3Å; I1313-I1317 WeakPolarHBondContact O-CG1 3.46Å; I1313-I1317 PolarHBondContact O-N 3.12Å |
| 1314 | L | 59.9 | Low | 53.8 | Low | 112 Ų | 112 | 111.9 Ų | 111.9 | 59% | 0.586 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.7 | -41.5 | 178.6 | -145.2 | 93.6 | 0 | 0 | 0 | 112.4 | T1310 V1311 I1317 L1318 | T1310-L1314 PolarHBondContact O-N 2.93Å; T1310-L1314 VanDerWaalsContact O-N 3.11Å; V1311-L1314 PolarHBondContact O-N 2.79Å; L1314-I1317 PolarHBondContact O-N 3.31Å; L1314-L1318 HydrophobicContact CD2-CD1 4.39Å; L1314-L1318 WeakPolarHBondContact O-CB 3.39Å; L1314-L1318 PolarHBondContact O-N 2.87Å |
| 1315 | L | 56.2 | Low | 53.8 | Low | 102 Ų | 102 | 112.8 Ų | 112.8 | 53% | 0.534 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.9 | -37.6 | 176.2 | -91.4 | 150.8 | 0 | 0 | 0 | 112.4 | V1311 T1312 I1313 L1318 C1319 | V1311-L1315 HydrophobicContact CG1-CD1 4Å; V1311-L1315 WeakPolarHBondContact O-CB 3.49Å; V1311-L1315 PolarHBondContact O-N 3.14Å; T1312-L1315 PolarHBondContact O-N 2.87Å; I1313-L1315 PolarHBondContact O-N 2.91Å; L1315-L1318 PolarHBondContact O-N 2.77Å; L1315-C1319 WeakPolarHBondContact O-CB 3.47Å; L1315-C1319 PolarHBondContact O-N 2.88Å; L1315-C1319 PolarHBondContact O-SG 3.07Å |
| 1316 | I | 63.9 | Low | 53.5 | Low | 101 Ų | 101 | 114.9 Ų | 114.9 | 52% | 0.518 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.3 | -42.7 | 174.9 | -69 | 165.5 | 0 | 0 | 0 | 110.4 | T1312 I1313 C1319 I1320 | T1312-I1316 WeakPolarHBondContact O-CD1 3.32Å; T1312-I1316 VanDerWaalsContact O-CG1 3.23Å; T1312-I1316 WeakPolarHBondContact O-CG1 3.27Å; T1312-I1316 PolarHBondContact O-N 2.89Å; I1313-I1316 PolarHBondContact O-N 2.93Å; I1316-C1319 PolarHBondContact O-N 2.92Å; I1316-I1320 HydrophobicContact CG2-CD1 3.78Å; I1316-I1320 HydrophobicContact CG2-CG1 4.43Å; I1316-I1320 VanDerWaalsContact O-CG1 3.27Å; I1316-I1320 WeakPolarHBondContact O-CG1 3.19Å; I1316-I1320 PolarHBondContact O-N 2.93Å |
| 1317 | I | 67.3 | Low | 54.1 | Low | 88 Ų | 88 | 108.4 Ų | 108.4 | 45% | 0.451 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.3 | -44.9 | 175.6 | -67.8 | 167.6 | 0 | 0 | 0 | 110.5 | I1313 L1314 C1319 I1320 I1321 | I1313-I1317 HydrophobicContact CG2-CD1 3.8Å; I1313-I1317 HydrophobicContact CG2-CG1 4.44Å; I1313-I1317 VanDerWaalsContact O-CG1 3.3Å; I1313-I1317 WeakPolarHBondContact O-CG1 3.46Å; I1313-I1317 PolarHBondContact O-N 3.12Å; L1314-I1317 PolarHBondContact O-N 3.31Å; I1317-C1319 PolarHBondContact O-N 3.37Å; I1317-I1320 PolarHBondContact O-N 2.84Å; I1317-I1321 HydrophobicContact CG2-CD1 3.72Å; I1317-I1321 HydrophobicContact CG2-CG1 4.39Å; I1317-I1321 VanDerWaalsContact O-CG1 3.28Å; I1317-I1321 WeakPolarHBondContact O-CG1 3.26Å; I1317-I1321 PolarHBondContact O-N 2.87Å |
| 1318 | L | 61.1 | Low | 54.9 | Low | 88 Ų | 88 | 108.4 Ų | 108.4 | 46% | 0.461 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.2 | -41 | 176 | -91.7 | 153.2 | 0 | 0 | 0 | 112.5 | L1314 L1315 I1321 F1322 | L1314-L1318 HydrophobicContact CD2-CD1 4.39Å; L1314-L1318 WeakPolarHBondContact O-CB 3.39Å; L1314-L1318 PolarHBondContact O-N 2.87Å; L1315-L1318 PolarHBondContact O-N 2.77Å; L1318-I1321 PolarHBondContact O-N 3.3Å; L1318-F1322 WeakPolarHBondContact O-CB 3.38Å; L1318-F1322 PolarHBondContact O-N 2.64Å |
| 1319 | C | 57.1 | Low | 55.5 | Low | 83 Ų | 83 | 110.9 Ų | 110.9 | 56% | 0.561 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.9 | -35.6 | 175.2 | -78.2 | 0 | 0 | 0 | 0 | 112.9 | L1315 I1316 I1317 K1323 | L1315-C1319 WeakPolarHBondContact O-CB 3.47Å; L1315-C1319 PolarHBondContact O-N 2.88Å; L1315-C1319 PolarHBondContact O-SG 3.07Å; I1316-C1319 PolarHBondContact O-N 2.92Å; I1317-C1319 PolarHBondContact O-N 3.37Å; C1319-K1323 WeakPolarHBondContact O-CB 3.35Å; C1319-K1323 PolarHBondContact O-N 3.5Å |
| 1320 | I | 61.4 | Low | 55.6 | Low | 96 Ų | 96 | 112.5 Ų | 112.5 | 49% | 0.492 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.4 | -40.4 | 175.7 | -67 | 166.8 | 0 | 0 | 0 | 110.5 | I1316 I1317 K1323 Y1324 | I1316-I1320 HydrophobicContact CG2-CD1 3.78Å; I1316-I1320 HydrophobicContact CG2-CG1 4.43Å; I1316-I1320 VanDerWaalsContact O-CG1 3.27Å; I1316-I1320 WeakPolarHBondContact O-CG1 3.19Å; I1316-I1320 PolarHBondContact O-N 2.93Å; I1317-I1320 PolarHBondContact O-N 2.84Å; I1320-K1323 PolarHBondContact O-N 3.1Å; I1320-Y1324 HydrophobicContact CG2-CD2 4.37Å; I1320-Y1324 PolarHBondContact O-N 2.83Å |
| 1321 | I | 63.9 | Low | 55.7 | Low | 94 Ų | 94 | 113.8 Ų | 113.8 | 48% | 0.482 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.3 | -45.2 | 175.7 | -66.6 | 167.3 | 0 | 0 | 0 | 110.3 | I1317 L1318 K1323 Y1324 C1325 | I1317-I1321 HydrophobicContact CG2-CD1 3.72Å; I1317-I1321 HydrophobicContact CG2-CG1 4.39Å; I1317-I1321 VanDerWaalsContact O-CG1 3.28Å; I1317-I1321 WeakPolarHBondContact O-CG1 3.26Å; I1317-I1321 PolarHBondContact O-N 2.87Å; L1318-I1321 PolarHBondContact O-N 3.3Å; I1321-K1323 VanDerWaalsContact C-N 3.27Å; I1321-K1323 PolarHBondContact O-N 2.74Å; I1321-Y1324 PolarHBondContact O-N 2.95Å; I1321-Y1324 VanDerWaalsContact O-N 3.13Å; I1321-C1325 PolarHBondContact O-N 3.46Å; I1321-C1325 VanDerWaalsContact O-N 3.1Å |
| 1322 | F | 49.5 | Very low | 55.8 | Low | 138 Ų | 138 | 116.4 Ų | 116.4 | 61% | 0.605 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.7 | -32.7 | 177.9 | -112.4 | -87.1 | 0 | 0 | 0 | 113.1 | L1318 Y1324 C1325 L1326 | L1318-F1322 WeakPolarHBondContact O-CB 3.38Å; L1318-F1322 PolarHBondContact O-N 2.64Å; F1322-Y1324 VanDerWaalsContact C-N 3.29Å; F1322-Y1324 PolarHBondContact O-N 2.54Å; F1322-C1325 PolarHBondContact O-N 3.33Å; F1322-L1326 PolarHBondContact O-N 3.2Å; F1322-L1326 VanDerWaalsContact O-N 3.08Å |
| 1323 | K | 47.5 | Very low | 55.9 | Low | 171 Ų | 171 | 120.1 Ų | 120.1 | 74% | 0.743 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -78.1 | -10.6 | 177.5 | -150 | -178.8 | -176.1 | -175.4 | 0 | 114 | C1319 I1320 I1321 | C1319-K1323 WeakPolarHBondContact O-CB 3.35Å; C1319-K1323 PolarHBondContact O-N 3.5Å; I1320-K1323 PolarHBondContact O-N 3.1Å; I1321-K1323 VanDerWaalsContact C-N 3.27Å; I1321-K1323 PolarHBondContact O-N 2.74Å |
| 1324 | Y | 49.9 | Very low | 55.5 | Low | 203 Ų | 203 | 121.5 Ų | 121.5 | 80% | 0.796 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -97.7 | -16.9 | 169 | -96 | -81.4 | 0 | 0 | 0 | 112.7 | I1320 I1321 F1322 | I1320-Y1324 HydrophobicContact CG2-CD2 4.37Å; I1320-Y1324 PolarHBondContact O-N 2.83Å; I1321-Y1324 PolarHBondContact O-N 2.95Å; I1321-Y1324 VanDerWaalsContact O-N 3.13Å; F1322-Y1324 VanDerWaalsContact C-N 3.29Å; F1322-Y1324 PolarHBondContact O-N 2.54Å |
| 1325 | C | 47.2 | Very low | 55.2 | Low | 112 Ų | 112 | 122.3 Ų | 122.3 | 76% | 0.757 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -89.9 | -20 | 172.8 | -75.5 | 0 | 0 | 0 | 0 | 113.8 | I1321 F1322 | I1321-C1325 PolarHBondContact O-N 3.46Å; I1321-C1325 VanDerWaalsContact O-N 3.1Å; F1322-C1325 PolarHBondContact O-N 3.33Å |
| 1326 | L | 37.1 | Very low | 55.1 | Low | 192 Ų | 192 | 124.2 Ų | 124.2 | 100% | 1.005 | 63% | 0.625 | S | S | * | * | trans | -89.1 | 0 | 161.5 | -82.6 | 157.2 | 0 | 0 | 0 | 109.1 | F1322 | F1322-L1326 PolarHBondContact O-N 3.2Å; F1322-L1326 VanDerWaalsContact O-N 3.08Å |
Retrieved 1,326 of 1,326 residues in 1722.8 ms
(Link to these results)