| 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 | 55.9 | Low | 72.4 | Confident | 223 Ų | 223 | 121.3 Ų | 121.3 | 100% | 1.099 | 64% | 0.64 | S | S | * | * | 0 | -39.8 | 0 | -70.1 | -64 | -144 | 0 | 0 | 113.7 | |||||
| 2 | Q | 56.8 | Low | 72.8 | Confident | 170 Ų | 170 | 116.7 Ų | 116.7 | 79% | 0.794 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -72 | -31.1 | -177.4 | -76.2 | 179.5 | -23.1 | 0 | 0 | 115.2 | L4 G5 | Q2-L4 PolarHBondContact O-N 2.91Å; Q2-G5 PolarHBondContact O-N 3.02Å |
| 3 | V | 63.6 | Low | 73 | Confident | 116 Ų | 116 | 116.9 Ų | 116.9 | 70% | 0.703 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -70.4 | -33.4 | -175.8 | -174 | 0 | 0 | 0 | 0 | 112.8 | G5 W6 T7 | V3-G5 VanDerWaalsContact C-N 3.33Å; V3-G5 PolarHBondContact O-N 2.9Å; V3-W6 PolarHBondContact O-N 2.98Å; V3-T7 PolarHBondContact O-N 2.91Å |
| 4 | L | 67.5 | Low | 73.6 | Confident | 131 Ų | 131 | 120.4 Ų | 120.4 | 69% | 0.686 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.6 | -30.6 | 175.2 | -102.4 | 93.2 | 0 | 0 | 0 | 112.9 | Q2 W6 T7 T8 | Q2-L4 PolarHBondContact O-N 2.91Å; L4-W6 VanDerWaalsContact C-N 3.34Å; L4-T7 PolarHBondContact O-OG1 3.35Å; L4-T8 PolarHBondContact O-N 2.81Å; L4-T8 PolarHBondContact O-OG1 2.91Å |
| 5 | G | 72.5 | Confident | 73.7 | Confident | 38 Ų | 38 | 118.3 Ų | 118.3 | 39% | 0.392 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.3 | -41.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q2 V3 T8 V9 | Q2-G5 PolarHBondContact O-N 3.02Å; V3-G5 VanDerWaalsContact C-N 3.33Å; V3-G5 PolarHBondContact O-N 2.9Å; G5-T8 PolarHBondContact O-N 2.77Å; G5-V9 WeakPolarHBondContact O-CG2 3.35Å; G5-V9 PolarHBondContact O-N 2.96Å; G5-V9 VanDerWaalsContact O-N 3.11Å |
| 6 | W | 73.6 | Confident | 73.4 | Confident | 195 Ų | 195 | 117.8 Ų | 117.8 | 74% | 0.739 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -70.9 | -39 | -178.5 | -79.9 | 67.7 | 0 | 0 | 0 | 112.9 | V3 L4 T8 V9 L10 | V3-W6 PolarHBondContact O-N 2.98Å; L4-W6 VanDerWaalsContact C-N 3.34Å; W6-T8 VanDerWaalsContact C-N 3.3Å; W6-T8 PolarHBondContact O-N 3.07Å; W6-V9 PolarHBondContact O-N 3.23Å; W6-L10 WeakPolarHBondContact O-CG 2.88Å; W6-L10 PolarHBondContact O-N 2.89Å |
| 7 | T | 80.4 | Confident | 72.9 | Confident | 80 Ų | 80 | 118.9 Ų | 118.9 | 49% | 0.491 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65 | -37.1 | 175.8 | 54.8 | 0 | 0 | 0 | 0 | 111.6 | V3 L4 L11 | V3-T7 PolarHBondContact O-N 2.91Å; L4-T7 PolarHBondContact O-OG1 3.35Å; T7-L11 WeakPolarHBondContact O-CB 3.17Å; T7-L11 PolarHBondContact O-N 2.79Å |
| 8 | T | 78.7 | Confident | 72.4 | Confident | 79 Ų | 79 | 120.3 Ų | 120.3 | 49% | 0.485 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.9 | -40.4 | 177.9 | -46.5 | 0 | 0 | 0 | 0 | 111.6 | L4 G5 W6 L11 C12 | L4-T8 PolarHBondContact O-N 2.81Å; L4-T8 PolarHBondContact O-OG1 2.91Å; G5-T8 PolarHBondContact O-N 2.77Å; W6-T8 VanDerWaalsContact C-N 3.3Å; W6-T8 PolarHBondContact O-N 3.07Å; T8-L11 PolarHBondContact O-N 2.71Å; T8-C12 WeakPolarHBondContact O-CB 2.97Å; T8-C12 PolarHBondContact O-N 2.9Å; T8-C12 PolarHBondContact O-SG 3.19Å; T8-C12 VanDerWaalsContact O-SG 3.33Å |
| 9 | V | 80.8 | Confident | 71.5 | Confident | 89 Ų | 89 | 118.9 Ų | 118.9 | 54% | 0.539 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.9 | -41.6 | 177.8 | 172.3 | 0 | 0 | 0 | 0 | 111.8 | G5 W6 C12 Q13 | G5-V9 WeakPolarHBondContact O-CG2 3.35Å; G5-V9 PolarHBondContact O-N 2.96Å; G5-V9 VanDerWaalsContact O-N 3.11Å; W6-V9 PolarHBondContact O-N 3.23Å; V9-C12 PolarHBondContact O-N 3.26Å; V9-Q13 PolarHBondContact O-N 2.98Å |
| 10 | L | 83.5 | Confident | 70.4 | Confident | 106 Ų | 106 | 120.2 Ų | 120.2 | 56% | 0.555 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.4 | -39.2 | 176.7 | -70.2 | 172.4 | 0 | 0 | 0 | 111.8 | W6 Q13 W14 | W6-L10 WeakPolarHBondContact O-CG 2.88Å; W6-L10 PolarHBondContact O-N 2.89Å; L10-Q13 PolarHBondContact O-N 3.19Å; L10-W14 WeakPolarHBondContact O-CB 3.18Å; L10-W14 PolarHBondContact O-N 3.2Å |
| 11 | L | 82.9 | Confident | 69.2 | Low | 107 Ų | 107 | 117.2 Ų | 117.2 | 56% | 0.56 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.9 | -42.8 | 175.3 | -151.7 | 93.5 | 0 | 0 | 0 | 111.3 | T7 T8 W14 I15 | T7-L11 WeakPolarHBondContact O-CB 3.17Å; T7-L11 PolarHBondContact O-N 2.79Å; T8-L11 PolarHBondContact O-N 2.71Å; L11-W14 PolarHBondContact O-N 2.74Å; L11-I15 HydrophobicContact CD2-CD1 4.25Å; L11-I15 HydrophobicContact CG-CD1 4.42Å; L11-I15 VanDerWaalsContact O-CG1 3.29Å; L11-I15 WeakPolarHBondContact O-CG1 3.31Å; L11-I15 PolarHBondContact O-N 3.36Å |
| 12 | C | 76.8 | Confident | 68.5 | Low | 66 Ų | 66 | 113.9 Ų | 113.9 | 45% | 0.446 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.1 | -41.7 | 176.8 | -75.3 | 0 | 0 | 0 | 0 | 112.5 | T8 V9 W14 I15 L16 | T8-C12 WeakPolarHBondContact O-CB 2.97Å; T8-C12 PolarHBondContact O-N 2.9Å; T8-C12 PolarHBondContact O-SG 3.19Å; T8-C12 VanDerWaalsContact O-SG 3.33Å; V9-C12 PolarHBondContact O-N 3.26Å; C12-W14 VanDerWaalsContact C-N 3.34Å; C12-W14 PolarHBondContact O-N 3.38Å; C12-I15 PolarHBondContact O-N 2.81Å; C12-L16 WeakPolarHBondContact O-CB 3.41Å; C12-L16 WeakPolarHBondContact O-CD1 3.46Å; C12-L16 WeakPolarHBondContact O-CG 3.39Å; C12-L16 PolarHBondContact O-N 3.3Å |
| 13 | Q | 76.4 | Confident | 67.7 | Low | 120 Ų | 120 | 113.9 Ų | 113.9 | 56% | 0.561 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.8 | -38.7 | 174.2 | -88.9 | -168.4 | -7.4 | 0 | 0 | 112.5 | V9 L10 L16 Q17 | V9-Q13 PolarHBondContact O-N 2.98Å; L10-Q13 PolarHBondContact O-N 3.19Å; Q13-L16 PolarHBondContact O-N 3.22Å; Q13-Q17 PolarHBondContact O-N 3.04Å; Q13-Q17 VanDerWaalsContact O-N 3.08Å |
| 14 | W | 80.3 | Confident | 66.6 | Low | 166 Ų | 166 | 117.7 Ų | 117.7 | 63% | 0.629 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.1 | -39.9 | 178.5 | -167.6 | 70.1 | 0 | 0 | 0 | 112.4 | L10 L11 C12 Q17 K18 | L10-W14 WeakPolarHBondContact O-CB 3.18Å; L10-W14 PolarHBondContact O-N 3.2Å; L11-W14 PolarHBondContact O-N 2.74Å; C12-W14 VanDerWaalsContact C-N 3.34Å; C12-W14 PolarHBondContact O-N 3.38Å; W14-Q17 PolarHBondContact O-N 3.28Å; W14-K18 PolarHBondContact O-N 2.97Å; W14-K18 VanDerWaalsContact O-N 3.14Å |
| 15 | I | 76.2 | Confident | 65.2 | Low | 88 Ų | 88 | 119.9 Ų | 119.9 | 45% | 0.451 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.8 | -43.4 | 174.6 | -66.2 | 165.1 | 0 | 0 | 0 | 110.7 | L11 C12 Q17 K18 V19 | L11-I15 HydrophobicContact CD2-CD1 4.25Å; L11-I15 HydrophobicContact CG-CD1 4.42Å; L11-I15 VanDerWaalsContact O-CG1 3.29Å; L11-I15 WeakPolarHBondContact O-CG1 3.31Å; L11-I15 PolarHBondContact O-N 3.36Å; C12-I15 PolarHBondContact O-N 2.81Å; I15-Q17 PolarHBondContact O-N 3.06Å; I15-K18 PolarHBondContact O-N 2.81Å; I15-V19 HydrophobicContact CG2-CG2 4.4Å; I15-V19 WeakPolarHBondContact O-CG2 3.45Å; I15-V19 PolarHBondContact O-N 2.76Å |
| 16 | L | 68.6 | Low | 63.5 | Low | 111 Ų | 111 | 124 Ų | 124 | 58% | 0.581 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -62.3 | -39.3 | 178.8 | -77.3 | 161.5 | 0 | 0 | 0 | 112.5 | C12 Q13 V19 Q20 | C12-L16 WeakPolarHBondContact O-CB 3.41Å; C12-L16 WeakPolarHBondContact O-CD1 3.46Å; C12-L16 WeakPolarHBondContact O-CG 3.39Å; C12-L16 PolarHBondContact O-N 3.3Å; Q13-L16 PolarHBondContact O-N 3.22Å; L16-V19 PolarHBondContact O-N 2.91Å; L16-Q20 PolarHBondContact O-N 2.8Å; L16-Q20 VanDerWaalsContact O-N 3.13Å |
| 17 | Q | 64.6 | Low | 61.3 | Low | 137 Ų | 137 | 121.9 Ų | 121.9 | 64% | 0.64 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67 | -36.9 | 174.2 | -79.4 | -177.7 | -10.3 | 0 | 0 | 112.8 | Q13 W14 I15 Q20 G21 | Q13-Q17 PolarHBondContact O-N 3.04Å; Q13-Q17 VanDerWaalsContact O-N 3.08Å; W14-Q17 PolarHBondContact O-N 3.28Å; I15-Q17 PolarHBondContact O-N 3.06Å; Q17-Q20 PolarHBondContact O-N 3.32Å; Q17-G21 PolarHBondContact O-N 3.18Å |
| 18 | K | 63.4 | Low | 59.1 | Low | 144 Ų | 144 | 126.4 Ų | 126.4 | 63% | 0.626 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -66.9 | -36.2 | 175.8 | -96.9 | -77.3 | -176.2 | 178.9 | 0 | 112.8 | W14 I15 G21 | W14-K18 PolarHBondContact O-N 2.97Å; W14-K18 VanDerWaalsContact O-N 3.14Å; I15-K18 PolarHBondContact O-N 2.81Å; K18-G21 PolarHBondContact O-N 2.82Å |
| 19 | V | 56 | Low | 57 | Low | 94 Ų | 94 | 127.5 Ų | 127.5 | 57% | 0.57 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -70.5 | -39.2 | 177 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | I15 L16 G21 L22 | I15-V19 HydrophobicContact CG2-CG2 4.4Å; I15-V19 WeakPolarHBondContact O-CG2 3.45Å; I15-V19 PolarHBondContact O-N 2.76Å; L16-V19 PolarHBondContact O-N 2.91Å; V19-G21 VanDerWaalsContact C-N 3.35Å; V19-G21 PolarHBondContact O-N 3.37Å; V19-L22 PolarHBondContact O-N 3.17Å |
| 20 | Q | 49.7 | Very low | 54.8 | Low | 143 Ų | 143 | 131.6 Ų | 131.6 | 67% | 0.668 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -72.3 | -25.4 | 175.6 | -71.5 | -173 | -21 | 0 | 0 | 113.9 | L16 Q17 L22 | L16-Q20 PolarHBondContact O-N 2.8Å; L16-Q20 VanDerWaalsContact O-N 3.13Å; Q17-Q20 PolarHBondContact O-N 3.32Å; Q20-L22 VanDerWaalsContact C-N 3.34Å |
| 21 | G | 45.7 | Very low | 52.5 | Low | 58 Ų | 58 | 134.4 Ų | 134.4 | 60% | 0.598 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -74.2 | -19.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q17 K18 V19 | Q17-G21 PolarHBondContact O-N 3.18Å; K18-G21 PolarHBondContact O-N 2.82Å; V19-G21 VanDerWaalsContact C-N 3.35Å; V19-G21 PolarHBondContact O-N 3.37Å |
| 22 | L | 40.1 | Very low | 50 | Low | 153 Ų | 153 | 132.4 Ų | 132.4 | 80% | 0.801 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -89.3 | -16.7 | -179 | -149.7 | 80.4 | 0 | 0 | 0 | 113.2 | V19 Q20 | V19-L22 PolarHBondContact O-N 3.17Å; Q20-L22 VanDerWaalsContact C-N 3.34Å |
| 23 | E | 40.2 | Very low | 48.1 | Very low | 170 Ų | 170 | 135.9 Ų | 135.9 | 79% | 0.794 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -12.3 | -177.7 | -154.1 | 178.8 | 129.9 | 0 | 0 | 113.2 | ||
| 24 | K | 41.5 | Very low | 45.9 | Very low | 196 Ų | 196 | 134 Ų | 134 | 85% | 0.852 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 9 | -175.7 | -85.5 | -171.3 | 175.8 | 179.8 | 0 | 116.1 | ||
| 25 | Q | 37.6 | Very low | 43.5 | Very low | 177 Ų | 177 | 129.5 Ų | 129.5 | 83% | 0.827 | 73% | 0.728 | S | S | * | * | trans | -123.4 | 66.5 | 178.7 | -162.2 | -178.7 | -30.1 | 0 | 0 | 112 | ||||
| 26 | V | 35.6 | Very low | 41.5 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | trans | -135.2 | 74.5 | 154.9 | -170.2 | 0 | 0 | 0 | 0 | 107.3 | F28 | V26-F28 PolarHBondContact O-N 3.04Š| ||
| 27 | D | 29.3 | Very low | 39.7 | Very low | 151 Ų | 151 | 131.8 Ų | 131.8 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | trans | -71.4 | 111.2 | 163.8 | -100.8 | -37.4 | 0 | 0 | 0 | 108 | ||||
| 28 | F | 33.3 | Very low | 38.3 | Very low | 176 Ų | 176 | 133.5 Ų | 133.5 | 77% | 0.772 | 77% | 0.765 | S | S | * | * | trans | -103.7 | 72.1 | 169.5 | -138.6 | -84.6 | 0 | 0 | 0 | 108.3 | V26 | V26-F28 PolarHBondContact O-N 3.04Š| ||
| 29 | S | 34.9 | Very low | 36.7 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | -118.1 | 72.3 | 170.1 | -71.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 30 | E | 34.3 | Very low | 35.5 | Very low | 174 Ų | 174 | 137.1 Ų | 137.1 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -167.5 | 102.6 | 158.7 | -119.8 | -179.2 | 164.2 | 0 | 0 | 110.5 | ||||
| 31 | L | 34.7 | Very low | 34.7 | Very low | 166 Ų | 166 | 138.1 Ų | 138.1 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | -172.1 | 101.7 | 145.4 | -99.6 | 142.6 | 0 | 0 | 0 | 107.9 | ||||
| 32 | G | 31.7 | Very low | 34.3 | Very low | 65 Ų | 65 | 141.2 Ų | 141.2 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | trans | -66.7 | 175.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G34 | G32-G34 PolarHBondContact O-N 3.46Š| ||
| 33 | P | 36.2 | Very low | 33.7 | Very low | 138 Ų | 138 | 145.2 Ų | 145.2 | 90% | 0.896 | 81% | 0.808 | S | S | * | * | trans | -82 | 112.5 | -160.8 | 31.2 | -32.5 | 0 | 0 | 0 | 112.4 | G35 | P33-G35 PolarHBondContact O-N 2.79Š| ||
| 34 | G | 30.4 | Very low | 33.2 | Very low | 82 Ų | 82 | 140.3 Ų | 140.3 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -80.4 | 110.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | G32 | G32-G34 PolarHBondContact O-N 3.46Š| ||
| 35 | G | 29.3 | Very low | 32.7 | Very low | 71 Ų | 71 | 140.4 Ų | 140.4 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | -62.2 | 158.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | P33 | P33-G35 PolarHBondContact O-N 2.79Š| ||
| 36 | S | 33.8 | Very low | 32.3 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -55.7 | 127 | 171.1 | 49.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 37 | V | 31.4 | Very low | 32 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 76% | 0.758 | 81% | 0.813 | S | S | * | * | trans | -129.4 | 104.3 | 155.7 | 177.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 38 | M | 35.3 | Very low | 32 | Very low | 173 Ų | 173 | 130.1 Ų | 130.1 | 85% | 0.852 | 81% | 0.811 | S | S | * | * | trans | -65.3 | 122.9 | 168 | -162.9 | 161.6 | -177.5 | 0 | 0 | 108.3 | ||||
| 39 | K | 30.6 | Very low | 31.8 | Very low | 195 Ų | 195 | 128.7 Ų | 128.7 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | trans | -118.3 | 102 | 166.3 | -96.7 | -178.9 | 177.3 | 174.9 | 0 | 110.1 | ||||
| 40 | T | 29.6 | Very low | 31.6 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 74% | 0.736 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -69 | 126.6 | 165.6 | -32.4 | 0 | 0 | 0 | 0 | 108.8 | ||
| 41 | L | 33.1 | Very low | 31.4 | Very low | 163 Ų | 163 | 124.7 Ų | 124.7 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -82 | 130 | 168.1 | -123 | 89.2 | 0 | 0 | 0 | 109 | ||
| 42 | P | 37.5 | Very low | 31.2 | Very low | 123 Ų | 123 | 120.5 Ų | 120.5 | 80% | 0.799 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 140.3 | 172.8 | 33.1 | -28.4 | 0 | 0 | 0 | 112.3 | ||
| 43 | Y | 27.3 | Very low | 31.3 | Very low | 237 Ų | 237 | 123.9 Ų | 123.9 | 93% | 0.929 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 139.4 | 166.1 | -115.5 | -105.4 | 0 | 0 | 0 | 110.9 | ||
| 44 | G | 29.6 | Very low | 31.3 | Very low | 67 Ų | 67 | 124 Ų | 124 | 69% | 0.691 | 83% | 0.83 | S | S | * | * | trans | 73.9 | 106.9 | 133.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 45 | M | 32.3 | Very low | 31.5 | Very low | 199 Ų | 199 | 128.9 Ų | 128.9 | 98% | 0.98 | 83% | 0.828 | S | S | * | * | trans | -172.3 | 135.6 | 143.4 | -136.5 | 79.1 | 170.4 | 0 | 0 | 104.9 | ||||
| 46 | G | 28.9 | Very low | 31.9 | Very low | 78 Ų | 78 | 130.9 Ų | 130.9 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | cis | 127.8 | 117.4 | 21.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 47 | G | 29.6 | Very low | 32.5 | Very low | 83 Ų | 83 | 131.3 Ų | 131.3 | 86% | 0.856 | 83% | 0.828 | S | S | * | * | trans | 111.2 | 105.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 48 | G | 28.4 | Very low | 32.6 | Very low | 74 Ų | 74 | 135.6 Ų | 135.6 | 76% | 0.763 | 83% | 0.832 | S | S | * | * | 93.1 | 119.2 | 76.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 49 | T | 28.7 | Very low | 32.7 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 90% | 0.896 | 84% | 0.835 | S | S | * | * | cis | -176.3 | 161.6 | 49.4 | 32.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 50 | A | 31.7 | Very low | 32.7 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | trans | 119.5 | 102.9 | 150.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 51 | G | 29.7 | Very low | 32.8 | Very low | 89 Ų | 89 | 136.9 Ų | 136.9 | 92% | 0.918 | 83% | 0.831 | S | S | * | * | 84 | 106.9 | 126 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 52 | G | 30.4 | Very low | 32.7 | Very low | 78 Ų | 78 | 136.2 Ų | 136.2 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | 164.3 | 67.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 53 | V | 32.7 | Very low | 32.3 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | trans | -74.6 | 115.9 | 172 | 170.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 54 | V | 36.1 | Very low | 32.7 | Very low | 140 Ų | 140 | 132.4 Ų | 132.4 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | trans | -144.3 | 117.2 | 152.1 | -176 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 55 | K | 36.4 | Very low | 32.7 | Very low | 186 Ų | 186 | 134.8 Ų | 134.8 | 81% | 0.809 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 150.3 | 175.1 | -74.7 | 174.2 | 172.7 | 172.3 | 0 | 111.2 | ||
| 56 | P | 37.4 | Very low | 32.6 | Very low | 113 Ų | 113 | 129.6 Ų | 129.6 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 151.7 | 165 | 34.7 | -30.5 | 0 | 0 | 0 | 111.3 | ||
| 57 | P | 45.2 | Very low | 33 | Very low | 129 Ų | 129 | 132.7 Ų | 132.7 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 143.2 | 172.7 | 34 | -29.6 | 0 | 0 | 0 | 111.9 | ||
| 58 | Y | 34.4 | Very low | 33.1 | Very low | 215 Ų | 215 | 134.4 Ų | 134.4 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 142.2 | 168.3 | -80.9 | -102.5 | 0 | 0 | 0 | 112.1 | ||
| 59 | Q | 36.3 | Very low | 33.4 | Very low | 194 Ų | 194 | 137.6 Ų | 137.6 | 91% | 0.907 | 78% | 0.778 | S | S | * | * | trans | -139 | 125 | 133.5 | -83.7 | -158.9 | -10.1 | 0 | 0 | 111.2 | ||||
| 60 | T | 31.4 | Very low | 33.6 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | trans | -68.1 | 146.8 | 165.9 | 31.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 61 | R | 31 | Very low | 34.4 | Very low | 197 Ų | 197 | 136.7 Ų | 136.7 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | 178.8 | 107.7 | 125.7 | -172 | 170 | -82.5 | -133.3 | 0.5 | 111 | Y63 | R61-Y63 HydrophobicContact CG-CD2 3.97Å; R61-Y63 HydrophobicContact CG-CE2 3.91Å; R61-Y63 VanDerWaalsContact NH1-CE2 3.33Å; R61-Y63 PolarHBondContact NH1-OH 2.83Å | |||
| 62 | I | 32 | Very low | 34.5 | Very low | 148 Ų | 148 | 140.1 Ų | 140.1 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | -81.4 | 138.6 | 156.3 | -68.9 | 173.5 | 0 | 0 | 0 | 107.1 | ||||
| 63 | Y | 29.7 | Very low | 34.6 | Very low | 173 Ų | 173 | 145.5 Ų | 145.5 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | -126.4 | 106.7 | 144.9 | -80.2 | -64.7 | 0 | 0 | 0 | 108.7 | R61 | R61-Y63 HydrophobicContact CG-CD2 3.97Å; R61-Y63 HydrophobicContact CG-CE2 3.91Å; R61-Y63 VanDerWaalsContact NH1-CE2 3.33Å; R61-Y63 PolarHBondContact NH1-OH 2.83Å | ||
| 64 | S | 35.1 | Very low | 34.4 | Very low | 107 Ų | 107 | 143.7 Ų | 143.7 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | -109.9 | 126.6 | 144.1 | -65.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 65 | T | 30.3 | Very low | 34.4 | Very low | 118 Ų | 118 | 146.9 Ų | 146.9 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | trans | -157.8 | 135 | 159.4 | 45.5 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 66 | S | 30 | Very low | 34.6 | Very low | 90 Ų | 90 | 143.4 Ų | 143.4 | 63% | 0.629 | 75% | 0.754 | S | S | * | * | cis | 170.8 | 151.6 | 10.8 | 45.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 67 | I | 37.2 | Very low | 35.1 | Very low | 143 Ų | 143 | 143.3 Ų | 143.3 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | trans | 74.3 | 109.6 | 133 | -73.3 | 169.3 | 0 | 0 | 0 | 114.6 | ||||
| 68 | D | 31.9 | Very low | 34.5 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 63% | 0.631 | 75% | 0.754 | S | S | * | * | 117.2 | 156.9 | 63.3 | -96.3 | -23.3 | 0 | 0 | 0 | 105.2 | |||||
| 69 | Q | 33.6 | Very low | 34.4 | Very low | 142 Ų | 142 | 142.1 Ų | 142.1 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | cis | -167.4 | 126.3 | 11 | -114.9 | 158.7 | 44.5 | 0 | 0 | 103.4 | ||||
| 70 | T | 33.5 | Very low | 34.1 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 76% | 0.761 | 74% | 0.737 | S | S | * | * | 63.9 | 172.3 | 107.4 | 71.6 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 71 | P | 47.6 | Very low | 34.4 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 68% | 0.682 | 73% | 0.731 | S | S | * | * | -137.2 | 177.5 | -63.1 | 39.2 | -22.4 | 0 | 0 | 0 | 112.3 | |||||
| 72 | L | 32.2 | Very low | 34.7 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 85% | 0.848 | 74% | 0.737 | S | S | * | * | trans | -175 | 105.3 | 146.6 | -93.4 | 142 | 0 | 0 | 0 | 107.9 | ||||
| 73 | K | 32 | Very low | 35 | Very low | 191 Ų | 191 | 138.8 Ų | 138.8 | 83% | 0.83 | 74% | 0.736 | S | S | * | * | 72.2 | 130.1 | 93.7 | -153.4 | 174.4 | -176.3 | -176.8 | 0 | 111.9 | |||||
| 74 | S | 30.1 | Very low | 35.8 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | cis | -171.2 | 133.4 | 30.2 | 12.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 75 | K | 34.6 | Very low | 36.2 | Very low | 207 Ų | 207 | 140.7 Ų | 140.7 | 90% | 0.9 | 74% | 0.74 | S | S | * | * | 88.6 | 152.8 | 109.6 | -79.1 | -163 | 177.5 | -176.6 | 0 | 119.7 | |||||
| 76 | P | 41.7 | Very low | 36.5 | Very low | 114 Ų | 114 | 143 Ų | 143 | 74% | 0.74 | 75% | 0.748 | S | S | * | * | trans | -127.5 | -141 | -145.5 | 40.4 | -18.6 | 0 | 0 | 0 | 113.1 | ||||
| 77 | P | 48 | Very low | 37.1 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | -119.6 | 172.1 | -61.2 | 30.6 | -12.1 | 0 | 0 | 0 | 113.1 | |||||
| 78 | T | 32.4 | Very low | 37.3 | Very low | 138 Ų | 138 | 140.4 Ų | 140.4 | 85% | 0.847 | 75% | 0.752 | S | S | * | * | trans | -138.4 | 122.6 | 153.6 | -50.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 79 | Y | 31.9 | Very low | 37.5 | Very low | 182 Ų | 182 | 145.6 Ų | 145.6 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | trans | -102.9 | 131.6 | 175.7 | -169.2 | -96.9 | 0 | 0 | 0 | 107.6 | F81 | Y79-F81 HydrophobicContact CD1-CD2 4.11Å; Y79-F81 HydrophobicContact CE1-CB 4.31Å; Y79-F81 AromaticContact CE1-CD2 3.17Å; Y79-F81 HydrophobicContact CE1-CD2 3.17Å; Y79-F81 AromaticContact CE1-CE2 3.73Å; Y79-F81 HydrophobicContact CE1-CE2 3.73Å; Y79-F81 AromaticContact CE1-CG 4Å; Y79-F81 HydrophobicContact CE1-CG 4Å; Y79-F81 HydrophobicContact CE2-CD2 4.34Å; Y79-F81 HydrophobicContact CE2-CE2 4.32Å; Y79-F81 AromaticContact CZ-CD2 3.36Å; Y79-F81 AromaticContact CZ-CE2 3.39Å; Y79-F81 WeakPolarHBondContact OH-CD2 3.46Å; Y79-F81 WeakPolarHBondContact OH-CE2 3.36Å | ||
| 80 | T | 30.9 | Very low | 37.5 | Very low | 112 Ų | 112 | 145 Ų | 145 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | trans | -138.7 | 103.9 | 162.7 | -30.7 | 0 | 0 | 0 | 0 | 109.7 | F82 | T80-F82 HydrophobicContact CG2-CD2 4.15Å; T80-F82 HydrophobicContact CG2-CE2 4.21Å | ||
| 81 | F | 37.1 | Very low | 37.6 | Very low | 145 Ų | 145 | 148.4 Ų | 148.4 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | trans | -67 | 138.7 | 159.4 | -109.1 | -121.7 | 0 | 0 | 0 | 109.2 | Y79 | Y79-F81 HydrophobicContact CD1-CD2 4.11Å; Y79-F81 HydrophobicContact CE1-CB 4.31Å; Y79-F81 AromaticContact CE1-CD2 3.17Å; Y79-F81 HydrophobicContact CE1-CD2 3.17Å; Y79-F81 AromaticContact CE1-CE2 3.73Å; Y79-F81 HydrophobicContact CE1-CE2 3.73Å; Y79-F81 AromaticContact CE1-CG 4Å; Y79-F81 HydrophobicContact CE1-CG 4Å; Y79-F81 HydrophobicContact CE2-CD2 4.34Å; Y79-F81 HydrophobicContact CE2-CE2 4.32Å; Y79-F81 AromaticContact CZ-CD2 3.36Å; Y79-F81 AromaticContact CZ-CE2 3.39Å; Y79-F81 WeakPolarHBondContact OH-CD2 3.46Å; Y79-F81 WeakPolarHBondContact OH-CE2 3.36Å | ||
| 82 | F | 36.6 | Very low | 36.9 | Very low | 198 Ų | 198 | 148.3 Ų | 148.3 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | trans | -131 | 120.1 | 154.4 | -105.2 | -85.5 | 0 | 0 | 0 | 109.5 | T80 | T80-F82 HydrophobicContact CG2-CD2 4.15Å; T80-F82 HydrophobicContact CG2-CE2 4.21Å | ||
| 83 | N | 39.2 | Very low | 37.2 | Very low | 139 Ų | 139 | 149 Ų | 149 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | -78 | 153.1 | -179.9 | -138.3 | 8.1 | 0 | 0 | 0 | 109.9 | ||||
| 84 | P | 46.9 | Very low | 37.1 | Very low | 95 Ų | 95 | 148.2 Ų | 148.2 | 62% | 0.617 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -82.7 | 149.5 | 176.8 | 32.1 | -23.7 | 0 | 0 | 0 | 110.3 | ||
| 85 | Y | 43.1 | Very low | 37.4 | Very low | 225 Ų | 225 | 150.6 Ų | 150.6 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | 86.7 | 86.4 | -171.5 | -59.3 | -79.3 | 0 | 0 | 0 | 115.4 | ||||
| 86 | D | 35.9 | Very low | 37.1 | Very low | 167 Ų | 167 | 146.4 Ų | 146.4 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | -158.1 | 160.2 | 128.6 | -138.4 | -28.3 | 0 | 0 | 0 | 112.2 | |||||
| 87 | S | 43.3 | Very low | 36.8 | Very low | 112 Ų | 112 | 147.9 Ų | 147.9 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | 92.5 | 75.6 | 170 | -141.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 88 | G | 41.2 | Very low | 36 | Very low | 66 Ų | 66 | 149 Ų | 149 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | trans | -85.6 | 159.6 | 147 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 89 | R | 35.5 | Very low | 36.2 | Very low | 227 Ų | 227 | 145.7 Ų | 145.7 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | trans | 79.6 | 136.1 | 159.8 | -68.9 | -170.2 | 170.2 | 176.9 | -1.8 | 116.7 | ||||
| 90 | N | 33.3 | Very low | 36.2 | Very low | 130 Ų | 130 | 148.1 Ų | 148.1 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | cis | -163.3 | 146.8 | 7.2 | -87.2 | -33.8 | 0 | 0 | 0 | 108.3 | ||||
| 91 | Q | 35.7 | Very low | 36.4 | Very low | 194 Ų | 194 | 154.8 Ų | 154.8 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | trans | -163.7 | 101.2 | 141.6 | -107.9 | 168.3 | 51.9 | 0 | 0 | 111.8 | ||||
| 92 | S | 33.3 | Very low | 36.5 | Very low | 104 Ų | 104 | 153 Ų | 153 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | 21.1 | 119.7 | 144.7 | 46.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 93 | L | 38.6 | Very low | 36.8 | Very low | 176 Ų | 176 | 152.7 Ų | 152.7 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | 34.3 | 117.2 | 126.9 | -65.8 | 168.7 | 0 | 0 | 0 | 121.1 | |||||
| 94 | L | 30.7 | Very low | 37.3 | Very low | 174 Ų | 174 | 157.5 Ų | 157.5 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -155.1 | 149.5 | 131.6 | -138.3 | 163.7 | 0 | 0 | 0 | 111.2 | ||||
| 95 | L | 34.7 | Very low | 37.6 | Very low | 147 Ų | 147 | 162.2 Ų | 162.2 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | trans | -83.2 | 149.5 | -159.9 | -153.6 | 81.6 | 0 | 0 | 0 | 114.3 | ||||
| 96 | D | 29.9 | Very low | 37.5 | Very low | 120 Ų | 120 | 157.2 Ų | 157.2 | 64% | 0.642 | 81% | 0.808 | S | S | * | * | trans | 87.7 | 134.8 | 138.4 | -129.4 | -3 | 0 | 0 | 0 | 124 | ||||
| 97 | Q | 34.6 | Very low | 37.9 | Very low | 145 Ų | 145 | 154 Ų | 154 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | 65.4 | 106.1 | 137.8 | -111.9 | 168.8 | 78.1 | 0 | 0 | 122.3 | ||||
| 98 | T | 30.9 | Very low | 38.3 | Very low | 133 Ų | 133 | 156.6 Ų | 156.6 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | 157.2 | 137.5 | 104.8 | 44.6 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 99 | G | 36.8 | Very low | 38.2 | Very low | 69 Ų | 69 | 162.3 Ų | 162.3 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | -71.9 | 150.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 100 | Y | 32.6 | Very low | 38.6 | Very low | 232 Ų | 232 | 157 Ų | 157 | 91% | 0.91 | 80% | 0.801 | S | S | * | * | trans | -170 | 105.5 | 135.8 | -118.5 | -87.2 | 0 | 0 | 0 | 107.7 | S102 | Y100-S102 VanDerWaalsContact C-N 3.3Å; Y100-S102 PolarHBondContact O-N 2.85Å | ||
| 101 | R | 35.2 | Very low | 38.9 | Very low | 253 Ų | 253 | 156.2 Ų | 156.2 | 96% | 0.955 | 80% | 0.797 | S | S | * | * | trans | -72.8 | 86.3 | 175.8 | -157.5 | -171.6 | -135.2 | -152.1 | 6.5 | 108.1 | K103 | R101-K103 PolarHBondContact O-N 2.86Š| ||
| 102 | S | 39 | Very low | 39.4 | Very low | 106 Ų | 106 | 155.2 Ų | 155.2 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -64.9 | 108 | 172.6 | -171.5 | 0 | 0 | 0 | 0 | 108.8 | Y100 R104 | Y100-S102 VanDerWaalsContact C-N 3.3Å; Y100-S102 PolarHBondContact O-N 2.85Å; S102-R104 PolarHBondContact O-N 2.88Å | ||
| 103 | K | 42.6 | Very low | 40 | Very low | 193 Ų | 193 | 158 Ų | 158 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -53.4 | 101.7 | 170.2 | -79.5 | -121.1 | -174 | -178.8 | 0 | 108.5 | R101 K105 | R101-K103 PolarHBondContact O-N 2.86Å; K103-K105 PolarHBondContact O-N 2.84Å | ||
| 104 | R | 48.9 | Very low | 40.5 | Very low | 240 Ų | 240 | 155.9 Ų | 155.9 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | -60.2 | 107.5 | 163.3 | -75.1 | -175.7 | -170.2 | 161.6 | 3.5 | 107.4 | S102 | S102-R104 PolarHBondContact O-N 2.88Š| ||
| 105 | K | 54.3 | Low | 41.5 | Very low | 193 Ų | 193 | 156.6 Ų | 156.6 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -51.3 | 133.1 | 160.1 | -67 | 174.2 | 179.8 | 176.8 | 0 | 106.9 | K103 S107 | K103-K105 PolarHBondContact O-N 2.84Å; K105-S107 PolarHBondContact O-N 2.87Å | ||
| 106 | P | 40.5 | Very low | 42.3 | Very low | 121 Ų | 121 | 156.7 Ų | 156.7 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -59.3 | 120.6 | 172.1 | -13.2 | 25.8 | 0 | 0 | 0 | 106.8 | L108 | P106-L108 PolarHBondContact O-N 2.84Š| ||
| 107 | S | 43.8 | Very low | 43.7 | Very low | 99 Ų | 99 | 153.8 Ų | 153.8 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | trans | -55.3 | 109.1 | 165.4 | 54.6 | 0 | 0 | 0 | 0 | 106.3 | K105 K109 | K105-S107 PolarHBondContact O-N 2.87Å; S107-K109 PolarHBondContact O-N 2.88Å | ||
| 108 | L | 52.8 | Low | 45.1 | Very low | 166 Ų | 166 | 147.5 Ų | 147.5 | 87% | 0.869 | 74% | 0.735 | S | S | * | * | trans | -55.2 | 87.7 | 158 | -88.8 | 149.1 | 0 | 0 | 0 | 105.3 | P106 T110 | P106-L108 PolarHBondContact O-N 2.84Å; L108-T110 PolarHBondContact O-N 2.95Å | ||
| 109 | K | 39.3 | Very low | 46.6 | Very low | 186 Ų | 186 | 143 Ų | 143 | 81% | 0.809 | 72% | 0.715 | S | S | * | * | trans | -60.4 | 91.3 | 160.7 | -94.4 | -177.6 | 172.5 | 179.8 | 0 | 103.8 | S107 N111 | S107-K109 PolarHBondContact O-N 2.88Å; K109-N111 PolarHBondContact O-N 2.76Å | ||
| 110 | T | 42.7 | Very low | 48.1 | Very low | 115 Ų | 115 | 141 Ų | 141 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | trans | -49.9 | 102.5 | 162.5 | -64.9 | 0 | 0 | 0 | 0 | 105.1 | L108 M112 | L108-T110 PolarHBondContact O-N 2.95Å; T110-M112 HydrophobicContact CG2-CG 3.76Å; T110-M112 PolarHBondContact O-N 3.37Å | ||
| 111 | N | 40.9 | Very low | 50 | Low | 114 Ų | 114 | 131.6 Ų | 131.6 | 61% | 0.61 | 66% | 0.66 | S | S | * | * | trans | -67.2 | 83.8 | 172.9 | -174.8 | -6 | 0 | 0 | 0 | 105.8 | K109 K113 | K109-N111 PolarHBondContact O-N 2.76Å; N111-K113 PolarHBondContact O-N 2.87Å; N111-K113 WeakPolarHBondContact OD1-CB 3.27Å; N111-K113 WeakPolarHBondContact OD1-CD 3.47Å; N111-K113 WeakPolarHBondContact OD1-CG 3.44Å; N111-K113 PolarHBondContact OD1-N 2.03Å | ||
| 112 | M | 45.8 | Very low | 52.4 | Low | 173 Ų | 173 | 126 Ų | 126 | 85% | 0.852 | 65% | 0.649 | S | S | * | * | trans | -70.5 | 35.1 | 172 | -67.1 | -172 | 80.6 | 0 | 0 | 111.2 | T110 T114 | T110-M112 HydrophobicContact CG2-CG 3.76Å; T110-M112 PolarHBondContact O-N 3.37Å; M112-T114 VanDerWaalsContact C-N 3.32Å; M112-T114 PolarHBondContact O-N 2.82Å | ||
| 113 | K | 46.4 | Very low | 54.8 | Low | 164 Ų | 164 | 122 Ų | 122 | 71% | 0.713 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -68.6 | 97.7 | 163.9 | -81.6 | 176.7 | -169.4 | -171 | 0 | 106.9 | N111 K115 | N111-K113 PolarHBondContact O-N 2.87Å; N111-K113 WeakPolarHBondContact OD1-CB 3.27Å; N111-K113 WeakPolarHBondContact OD1-CD 3.47Å; N111-K113 WeakPolarHBondContact OD1-CG 3.44Å; N111-K113 PolarHBondContact OD1-N 2.03Å; K113-K115 PolarHBondContact O-N 3.06Å |
| 114 | T | 48.9 | Very low | 57.1 | Low | 130 Ų | 130 | 119.7 Ų | 119.7 | 80% | 0.798 | 61% | 0.605 | S | S | * | * | trans | 29.7 | 83.6 | 152.3 | 44.8 | 0 | 0 | 0 | 0 | 113 | M112 K116 | M112-T114 VanDerWaalsContact C-N 3.32Å; M112-T114 PolarHBondContact O-N 2.82Å; T114-K116 PolarHBondContact O-N 2.89Å | ||
| 115 | K | 50.7 | Low | 59.2 | Low | 190 Ų | 190 | 109.8 Ų | 109.8 | 83% | 0.826 | 57% | 0.569 | S | S | * | * | trans | -59.7 | 86.7 | 175.7 | -171.6 | -175.8 | -176.5 | -178 | 0 | 108.7 | K113 T117 | K113-K115 PolarHBondContact O-N 3.06Å; K115-T117 PolarHBondContact O-N 2.78Å | ||
| 116 | K | 52 | Low | 61 | Low | 148 Ų | 148 | 103.9 Ų | 103.9 | 64% | 0.643 | 55% | 0.545 | S | S | * | . | trans | -60 | 103.9 | 168.2 | -169.4 | -167.5 | 179.1 | -169.5 | 0 | 105.7 | T114 F118 G119 | T114-K116 PolarHBondContact O-N 2.89Å; K116-F118 VanDerWaalsContact CE-O 3.31Å; K116-F118 WeakPolarHBondContact CE-O 3.39Å; K116-F118 WeakPolarHBondContact CG-O 3.39Å; K116-F118 PolarHBondContact O-N 2.81Å; K116-G119 PolarHBondContact NZ-O 2.91Å | ||
| 117 | T | 60.2 | Low | 63.4 | Low | 59 Ų | 59 | 99.8 Ų | 99.8 | 36% | 0.362 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -69.6 | -12.7 | -166.7 | 36 | 0 | 0 | 0 | 0 | 113.5 | K115 D142 | K115-T117 PolarHBondContact O-N 2.78Å; T117-D142 PolarHBondContact OG1-OD2 3.05Å |
| 118 | F | 63.3 | Low | 65.6 | Low | 14 Ų | 14 | 102.4 Ų | 102.4 | 6% | 0.061 | 52% | 0.517 | C | S | . | . | trans | -142.5 | 134.7 | 172.4 | -71.7 | -81 | 0 | 0 | 0 | 110.6 | K116 W120 I140 F148 | K116-F118 VanDerWaalsContact CE-O 3.31Å; K116-F118 WeakPolarHBondContact CE-O 3.39Å; K116-F118 WeakPolarHBondContact CG-O 3.39Å; K116-F118 PolarHBondContact O-N 2.81Å; F118-W120 VanDerWaalsContact C-N 3.27Å; F118-W120 AromaticContact CD1-NE1 3.87Å; F118-W120 PolarHBondContact O-N 2.87Å; F118-I140 HydrophobicContact CB-CD1 3.96Å; F118-I140 HydrophobicContact CD1-CD1 4.19Å; F118-I140 HydrophobicContact CD2-CD1 3.54Å; F118-I140 HydrophobicContact CE2-CD1 4.1Å; F118-I140 HydrophobicContact CG-CD1 3.6Å; F118-F148 HydrophobicContact CE1-CE1 4.45Å; F118-F148 HydrophobicContact CE1-CZ 4.28Å; F118-F148 AromaticContact CE2-CD1 3.69Å; F118-F148 HydrophobicContact CE2-CD1 3.69Å; F118-F148 HydrophobicContact CE2-CD2 4.46Å; F118-F148 AromaticContact CE2-CE1 3.8Å; F118-F148 HydrophobicContact CE2-CE1 3.8Å; F118-F148 HydrophobicContact CE2-CG 4.03Å; F118-F148 HydrophobicContact CE2-CZ 4.21Å; F118-F148 AromaticContact CZ-CD1 3.85Å; F118-F148 HydrophobicContact CZ-CD1 3.85Å; F118-F148 AromaticContact CZ-CE1 3.43Å; F118-F148 HydrophobicContact CZ-CE1 3.43Å; F118-F148 VanDerWaalsContact CZ-CE1 3.43Å; F118-F148 HydrophobicContact CZ-CE2 4.27Å; F118-F148 HydrophobicContact CZ-CG 4.42Å; F118-F148 AromaticContact CZ-CZ 3.64Å; F118-F148 HydrophobicContact CZ-CZ 3.64Å | ||
| 119 | G | 62 | Low | 67.1 | Low | 37 Ų | 37 | 96.9 Ų | 96.9 | 38% | 0.381 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -68.7 | -26.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | K116 D275 | K116-G119 PolarHBondContact NZ-O 2.91Å; G119-D275 WeakPolarHBondContact CA-OD1 3.04Å; G119-D275 PolarHBondContact N-OD1 2.84Å |
| 120 | W | 68.1 | Low | 69.2 | Low | 27 Ų | 27 | 94.7 Ų | 94.7 | 10% | 0.102 | 49% | 0.492 | C | S | . | . | trans | -106.6 | 129.2 | -172 | 52 | -65.4 | 0 | 0 | 0 | 110.6 | F118 F123 I140 I255 I257 P274 D275 | F118-W120 VanDerWaalsContact C-N 3.27Å; F118-W120 AromaticContact CD1-NE1 3.87Å; F118-W120 PolarHBondContact O-N 2.87Å; W120-F123 HydrophobicContact CE3-CB 4.41Å; W120-F123 HydrophobicContact CZ3-CB 4.41Å; W120-I140 WeakPolarHBondContact O-CG2 3.07Å; W120-I255 HydrophobicContact CH2-CD1 3.89Å; W120-I255 HydrophobicContact CH2-CG1 4.18Å; W120-I255 HydrophobicContact CZ2-CD1 3.66Å; W120-I255 HydrophobicContact CZ2-CG1 3.61Å; W120-I257 HydrophobicContact CH2-CD1 4.05Å; W120-I257 HydrophobicContact CH2-CG1 4.19Å; W120-I257 HydrophobicContact CZ3-CD1 3.66Å; W120-I257 HydrophobicContact CZ3-CG1 4.31Å; W120-P274 HydrophobicContact CB-CB 3.82Å; W120-P274 HydrophobicContact CD2-CB 3.64Å; W120-P274 HydrophobicContact CD2-CG 3.61Å; W120-P274 HydrophobicContact CE3-CB 4.29Å; W120-P274 HydrophobicContact CE3-CG 3.82Å; W120-P274 HydrophobicContact CG-CB 3.4Å; W120-P274 VanDerWaalsContact CG-CB 3.4Å; W120-P274 HydrophobicContact CG-CG 3.96Å; W120-P274 HydrophobicContact CH2-CG 4.42Å; W120-P274 HydrophobicContact CZ2-CG 4.24Å; W120-P274 HydrophobicContact CZ3-CG 4.23Å; W120-D275 PolarHBondContact NE1-OD2 2.87Å | ||
| 121 | G | 72.2 | Confident | 71 | Confident | 35 Ų | 35 | 95.5 Ų | 95.5 | 36% | 0.361 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -98.5 | -56 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 122 | N | 85.1 | Confident | 73.1 | Confident | 137 Ų | 137 | 90.2 Ų | 90.2 | 73% | 0.733 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 130.9 | 178.8 | -61.4 | -35.8 | 0 | 0 | 0 | 108.7 | G138 | N122-G138 WeakPolarHBondContact CA-O 3.41Å |
| 123 | F | 90.3 | Very high | 75.2 | Confident | 22 Ų | 22 | 83.5 Ų | 83.5 | 10% | 0.096 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 140.5 | 173.4 | 173.3 | -100.6 | 0 | 0 | 0 | 109.7 | W120 F125 V136 T137 G138 I257 I259 V272 | W120-F123 HydrophobicContact CE3-CB 4.41Å; W120-F123 HydrophobicContact CZ3-CB 4.41Å; F123-F125 HydrophobicContact CE1-CB 3.79Å; F123-F125 HydrophobicContact CZ-CB 3.63Å; F123-F125 HydrophobicContact CZ-CG 4.45Å; F123-V136 HydrophobicContact CD1-CG1 4.44Å; F123-V136 HydrophobicContact CE1-CB 4.37Å; F123-V136 HydrophobicContact CE1-CG1 3.98Å; F123-T137 CarbonylContact O-C 3.5Å; F123-T137 WeakPolarHBondContact O-CA 3.44Å; F123-G138 PolarHBondContact N-O 2.82Å; F123-G138 PolarHBondContact O-N 2.7Å; F123-I257 HydrophobicContact CB-CD1 4.07Å; F123-I257 HydrophobicContact CD1-CD1 3.79Å; F123-I257 HydrophobicContact CD2-CD1 3.42Å; F123-I257 VanDerWaalsContact CD2-CD1 3.42Å; F123-I257 HydrophobicContact CE1-CD1 4.03Å; F123-I257 HydrophobicContact CE1-CG2 4.3Å; F123-I257 HydrophobicContact CE2-CD1 3.69Å; F123-I257 HydrophobicContact CG-CD1 3.46Å; F123-I257 VanDerWaalsContact CG-CD1 3.46Å; F123-I257 HydrophobicContact CZ-CD1 3.98Å; F123-I257 HydrophobicContact CZ-CG2 4.4Å; F123-I259 HydrophobicContact CE1-CD1 3.93Å; F123-I259 HydrophobicContact CZ-CD1 3.77Å; F123-V272 HydrophobicContact CE2-CB 4.25Å; F123-V272 HydrophobicContact CE2-CG1 4.14Å; F123-V272 HydrophobicContact CE2-CG2 4.28Å; F123-V272 HydrophobicContact CZ-CG2 4.49Å |
| 124 | Y | 91.8 | Very high | 77.4 | Confident | 143 Ų | 143 | 75.7 Ų | 75.7 | 56% | 0.561 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 128.5 | -178.6 | -169.3 | -100.7 | 0 | 0 | 0 | 110.2 | I126 L135 V136 T137 | Y124-I126 HydrophobicContact CD1-CG1 4.03Å; Y124-I126 HydrophobicContact CE1-CD1 3.33Å; Y124-I126 HydrophobicContact CE1-CG1 3.17Å; Y124-I126 VanDerWaalsContact CZ-CG1 3.46Å; Y124-I126 WeakPolarHBondContact OH-CD1 3.42Å; Y124-I126 WeakPolarHBondContact OH-CG1 3.37Å; Y124-L135 HydrophobicContact CD2-CD1 4.07Å; Y124-L135 HydrophobicContact CE1-CD1 4.42Å; Y124-L135 HydrophobicContact CE2-CD1 3.28Å; Y124-L135 VanDerWaalsContact CZ-CD1 3.46Å; Y124-L135 WeakPolarHBondContact OH-CD1 3.22Å; Y124-V136 WeakPolarHBondContact CA-O 3.22Å; Y124-T137 HydrophobicContact CD2-CG2 3.81Å; Y124-T137 HydrophobicContact CE2-CG2 4.02Å |
| 125 | F | 92.6 | Very high | 79.6 | Confident | 32 Ų | 32 | 72.2 Ų | 72.2 | 14% | 0.14 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 126 | 179.3 | 176.2 | -98.8 | 0 | 0 | 0 | 109.4 | F123 V127 L134 V136 I259 L268 Q270 | F123-F125 HydrophobicContact CE1-CB 3.79Å; F123-F125 HydrophobicContact CZ-CB 3.63Å; F123-F125 HydrophobicContact CZ-CG 4.45Å; F125-V127 HydrophobicContact CD1-CG2 4.48Å; F125-V127 HydrophobicContact CE1-CG2 3.55Å; F125-V127 HydrophobicContact CE2-CG2 4.13Å; F125-V127 HydrophobicContact CZ-CG2 3.35Å; F125-L134 HydrophobicContact CE1-CD2 4.16Å; F125-V136 HydrophobicContact CB-CB 4.2Å; F125-V136 HydrophobicContact CD1-CB 4.4Å; F125-V136 HydrophobicContact CD1-CG2 4.11Å; F125-V136 PolarHBondContact N-O 3.11Å; F125-V136 PolarHBondContact O-N 3.03Å; F125-I259 HydrophobicContact CB-CD1 4.05Å; F125-I259 HydrophobicContact CD1-CD1 3.63Å; F125-I259 HydrophobicContact CD1-CG2 4.41Å; F125-I259 HydrophobicContact CD2-CD1 4.3Å; F125-I259 HydrophobicContact CE1-CD1 4.07Å; F125-I259 HydrophobicContact CE1-CG2 4.05Å; F125-I259 HydrophobicContact CG-CD1 3.74Å; F125-L268 HydrophobicContact CE1-CD2 3.98Å; F125-L268 HydrophobicContact CZ-CD2 3.9Å; F125-Q270 HydrophobicContact CE2-CB 4.47Å; F125-Q270 HydrophobicContact CE2-CG 4.16Å; F125-Q270 HydrophobicContact CZ-CB 4.39Å |
| 126 | I | 92.2 | Very high | 81.7 | Confident | 69 Ų | 69 | 63.2 Ų | 63.2 | 35% | 0.354 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 135.3 | 174.4 | -48.6 | -177.7 | 0 | 0 | 0 | 108.8 | Y124 K128 L134 L135 | Y124-I126 HydrophobicContact CD1-CG1 4.03Å; Y124-I126 HydrophobicContact CE1-CD1 3.33Å; Y124-I126 HydrophobicContact CE1-CG1 3.17Å; Y124-I126 VanDerWaalsContact CZ-CG1 3.46Å; Y124-I126 WeakPolarHBondContact OH-CD1 3.42Å; Y124-I126 WeakPolarHBondContact OH-CG1 3.37Å; I126-K128 HydrophobicContact CG2-CD 4.16Å; I126-K128 HydrophobicContact CG2-CG 3.83Å; I126-L134 CarbonylContact C-O 3.51Å; I126-L134 WeakPolarHBondContact CA-O 3.36Å; I126-L135 HydrophobicContact CG1-CD1 4.02Å |
| 127 | V | 90.5 | Very high | 83.7 | Confident | 35 Ų | 35 | 58.2 Ų | 58.2 | 21% | 0.212 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 132.8 | 159.6 | 175.8 | 0 | 0 | 0 | 0 | 108.6 | F125 T129 F132 S133 L134 L268 | F125-V127 HydrophobicContact CD1-CG2 4.48Å; F125-V127 HydrophobicContact CE1-CG2 3.55Å; F125-V127 HydrophobicContact CE2-CG2 4.13Å; F125-V127 HydrophobicContact CZ-CG2 3.35Å; V127-T129 HydrophobicContact CG1-CG2 4.4Å; V127-F132 HydrophobicContact CB-CE1 4.09Å; V127-F132 HydrophobicContact CG1-CD1 4.1Å; V127-F132 HydrophobicContact CG1-CE1 3.73Å; V127-S133 CarbonylContact O-C 3.57Å; V127-S133 WeakPolarHBondContact O-CA 3.45Å; V127-L134 PolarHBondContact N-O 2.81Å; V127-L134 PolarHBondContact O-N 2.93Å; V127-L268 HydrophobicContact CB-CD2 4.38Å; V127-L268 HydrophobicContact CG2-CD2 3.85Å |
| 128 | K | 89.5 | Confident | 85.3 | Confident | 154 Ų | 154 | 55.7 Ų | 55.7 | 67% | 0.67 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 127.9 | 176.2 | -71.3 | 179.4 | -178.6 | -179.2 | 0 | 109.5 | I126 F132 | I126-K128 HydrophobicContact CG2-CD 4.16Å; I126-K128 HydrophobicContact CG2-CG 3.83Å; K128-F132 CarbonylContact C-O 3.58Å; K128-F132 WeakPolarHBondContact CA-O 3.5Å |
| 129 | T | 85.6 | Confident | 86.7 | Confident | 50 Ų | 50 | 60.8 Ų | 60.8 | 31% | 0.307 | 32% | 0.321 | S | S | . | . | trans | -127.9 | -178.1 | 172 | 80.2 | 0 | 0 | 0 | 0 | 108.6 | V127 K131 F132 Y266 | V127-T129 HydrophobicContact CG1-CG2 4.4Å; T129-K131 VanDerWaalsContact C-N 3.26Å; T129-K131 PolarHBondContact O-N 2.04Å; T129-K131 PolarHBondContact OG1-N 2.9Å; T129-F132 HydrophobicContact CG2-CD1 4.21Å; T129-F132 PolarHBondContact N-O 2.83Å; T129-F132 WeakPolarHBondContact OG1-CB 3.26Å; T129-F132 PolarHBondContact OG1-N 2.85Å; T129-F132 VanDerWaalsContact OG1-N 3.1Å; T129-F132 PolarHBondContact OG1-O 2.86Å; T129-Y266 HydrophobicContact CG2-CD1 4.19Å; T129-Y266 HydrophobicContact CG2-CE1 3.97Å; T129-Y266 VanDerWaalsContact OG1-CE2 3.32Å; T129-Y266 WeakPolarHBondContact OG1-CE2 3.35Å | ||
| 130 | V | 82.5 | Confident | 88.1 | Confident | 140 Ų | 140 | 60.4 Ų | 60.4 | 85% | 0.848 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -60.6 | -35.8 | -179.2 | -178.3 | 0 | 0 | 0 | 0 | 112.3 | ||
| 131 | K | 80.1 | Confident | 89.1 | Confident | 132 Ų | 132 | 61.5 Ų | 61.5 | 57% | 0.574 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -116.7 | -8.6 | -175.1 | -61.1 | -178.8 | -174.9 | 177.6 | 0 | 114.1 | T129 S158 D265 Y266 | T129-K131 VanDerWaalsContact C-N 3.26Å; T129-K131 PolarHBondContact O-N 2.04Å; T129-K131 PolarHBondContact OG1-N 2.9Å; K131-S158 WeakPolarHBondContact O-CB 3.23Å; K131-D265 WeakPolarHBondContact CD-OD2 3.48Å; K131-D265 IonicContact NZ-OD2 3.71Å; K131-D265 PolarHBondContact NZ-OD2 2.91Å; K131-Y266 HydrophobicContact CB-CE2 4.36Å |
| 132 | F | 85.4 | Confident | 89.9 | Confident | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | trans | -131 | 130.9 | -175 | 163.4 | -118.9 | 0 | 0 | 0 | 111.4 | V127 K128 T129 L134 S158 F261 Y266 | V127-F132 HydrophobicContact CB-CE1 4.09Å; V127-F132 HydrophobicContact CG1-CD1 4.1Å; V127-F132 HydrophobicContact CG1-CE1 3.73Å; K128-F132 CarbonylContact C-O 3.58Å; K128-F132 WeakPolarHBondContact CA-O 3.5Å; T129-F132 HydrophobicContact CG2-CD1 4.21Å; T129-F132 PolarHBondContact N-O 2.83Å; T129-F132 WeakPolarHBondContact OG1-CB 3.26Å; T129-F132 PolarHBondContact OG1-N 2.85Å; T129-F132 VanDerWaalsContact OG1-N 3.1Å; T129-F132 PolarHBondContact OG1-O 2.86Å; F132-L134 HydrophobicContact CD2-CB 4.47Å; F132-L134 HydrophobicContact CE1-CB 4.01Å; F132-L134 HydrophobicContact CE2-CB 3.47Å; F132-L134 VanDerWaalsContact CE2-CB 3.47Å; F132-L134 HydrophobicContact CZ-CB 3.19Å; F132-L134 HydrophobicContact CZ-CD2 3.85Å; F132-L134 HydrophobicContact CZ-CG 4.12Å; F132-S158 WeakPolarHBondContact CD2-OG 3.48Å; F132-F261 HydrophobicContact CB-CE1 4.32Å; F132-F261 HydrophobicContact CB-CZ 4.31Å; F132-F261 HydrophobicContact CD1-CD1 4.08Å; F132-F261 AromaticContact CD1-CE1 3.67Å; F132-F261 HydrophobicContact CD1-CE1 3.67Å; F132-F261 HydrophobicContact CD1-CZ 4.21Å; F132-F261 HydrophobicContact CD2-CD1 4.24Å; F132-F261 HydrophobicContact CD2-CD2 4.37Å; F132-F261 AromaticContact CD2-CE1 3.53Å; F132-F261 HydrophobicContact CD2-CE1 3.53Å; F132-F261 AromaticContact CD2-CE2 3.68Å; F132-F261 HydrophobicContact CD2-CE2 3.68Å; F132-F261 AromaticContact CD2-CZ 3.17Å; F132-F261 HydrophobicContact CD2-CZ 3.17Å; F132-F261 AromaticContact CE1-CD1 3.56Å; F132-F261 HydrophobicContact CE1-CD1 3.56Å; F132-F261 AromaticContact CE1-CE1 3.63Å; F132-F261 HydrophobicContact CE1-CE1 3.63Å; F132-F261 HydrophobicContact CE1-CG 4.11Å; F132-F261 HydrophobicContact CE1-CZ 4.25Å; F132-F261 AromaticContact CE2-CD1 3.7Å; F132-F261 HydrophobicContact CE2-CD1 3.7Å; F132-F261 AromaticContact CE2-CD2 3.52Å; F132-F261 HydrophobicContact CE2-CD2 3.52Å; F132-F261 AromaticContact CE2-CE1 3.44Å; F132-F261 HydrophobicContact CE2-CE1 3.44Å; F132-F261 VanDerWaalsContact CE2-CE1 3.44Å; F132-F261 AromaticContact CE2-CE2 3.25Å; F132-F261 HydrophobicContact CE2-CE2 3.25Å; F132-F261 AromaticContact CE2-CG 3.69Å; F132-F261 HydrophobicContact CE2-CG 3.69Å; F132-F261 AromaticContact CE2-CZ 3.17Å; F132-F261 HydrophobicContact CE2-CZ 3.17Å; F132-F261 HydrophobicContact CG-CD1 4.36Å; F132-F261 AromaticContact CG-CE1 3.58Å; F132-F261 HydrophobicContact CG-CE1 3.58Å; F132-F261 AromaticContact CG-CZ 3.66Å; F132-F261 HydrophobicContact CG-CZ 3.66Å; F132-F261 HydrophobicContact CZ-CB 4.03Å; F132-F261 AromaticContact CZ-CD1 3.29Å; F132-F261 HydrophobicContact CZ-CD1 3.29Å; F132-F261 AromaticContact CZ-CD2 3.73Å; F132-F261 HydrophobicContact CZ-CD2 3.73Å; F132-F261 AromaticContact CZ-CE1 3.46Å; F132-F261 HydrophobicContact CZ-CE1 3.46Å; F132-F261 VanDerWaalsContact CZ-CE1 3.46Å; F132-F261 AromaticContact CZ-CE2 3.88Å; F132-F261 HydrophobicContact CZ-CE2 3.88Å; F132-F261 AromaticContact CZ-CG 3.38Å; F132-F261 HydrophobicContact CZ-CG 3.38Å; F132-F261 AromaticContact CZ-CZ 3.73Å; F132-F261 HydrophobicContact CZ-CZ 3.73Å; F132-Y266 HydrophobicContact CB-CD2 4.31Å | ||
| 133 | S | 89.8 | Confident | 90 | Very high | 31 Ų | 31 | 58.8 Ų | 58.8 | 22% | 0.217 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 132.2 | 164.7 | 177.4 | 0 | 0 | 0 | 0 | 107.4 | V127 S156 S157 | V127-S133 CarbonylContact O-C 3.57Å; V127-S133 WeakPolarHBondContact O-CA 3.45Å; S133-S156 WeakPolarHBondContact O-CA 3.34Å; S133-S157 WeakPolarHBondContact CB-OG 3.38Å; S133-S157 PolarHBondContact N-OG 2.83Å; S133-S157 PolarHBondContact O-N 3.29Å; S133-S157 VanDerWaalsContact O-N 3.08Å |
| 134 | L | 92.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 128.6 | 170.5 | 171.9 | 63.6 | 0 | 0 | 0 | 108.9 | F125 I126 V127 F132 V136 H154 N155 V162 I259 | F125-L134 HydrophobicContact CE1-CD2 4.16Å; I126-L134 CarbonylContact C-O 3.51Å; I126-L134 WeakPolarHBondContact CA-O 3.36Å; V127-L134 PolarHBondContact N-O 2.81Å; V127-L134 PolarHBondContact O-N 2.93Å; F132-L134 HydrophobicContact CD2-CB 4.47Å; F132-L134 HydrophobicContact CE1-CB 4.01Å; F132-L134 HydrophobicContact CE2-CB 3.47Å; F132-L134 VanDerWaalsContact CE2-CB 3.47Å; F132-L134 HydrophobicContact CZ-CB 3.19Å; F132-L134 HydrophobicContact CZ-CD2 3.85Å; F132-L134 HydrophobicContact CZ-CG 4.12Å; L134-V136 HydrophobicContact CD1-CG2 3.77Å; L134-V136 HydrophobicContact CD2-CG2 4.06Å; L134-V136 HydrophobicContact CG-CG2 3.85Å; L134-H154 HydrophobicContact CD1-CB 4.26Å; L134-N155 WeakPolarHBondContact CA-O 3.22Å; L134-V162 HydrophobicContact CD1-CG1 3.75Å; L134-V162 HydrophobicContact CD1-CG2 4.05Å; L134-V162 HydrophobicContact CD2-CG1 4.2Å; L134-I259 HydrophobicContact CD2-CG2 4.1Å |
| 135 | L | 94.5 | Very high | 89.4 | Confident | 58 Ų | 58 | 63.3 Ų | 63.3 | 30% | 0.304 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 117.7 | 170 | 168.8 | 60.7 | 0 | 0 | 0 | 107.9 | Y124 I126 T137 H154 N155 | Y124-L135 HydrophobicContact CD2-CD1 4.07Å; Y124-L135 HydrophobicContact CE1-CD1 4.42Å; Y124-L135 HydrophobicContact CE2-CD1 3.28Å; Y124-L135 VanDerWaalsContact CZ-CD1 3.46Å; Y124-L135 WeakPolarHBondContact OH-CD1 3.22Å; I126-L135 HydrophobicContact CG1-CD1 4.02Å; L135-T137 HydrophobicContact CD1-CG2 4Å; L135-T137 HydrophobicContact CG-CG2 4.25Å; L135-H154 CarbonylContact O-C 3.58Å; L135-H154 WeakPolarHBondContact O-CA 3.41Å; L135-N155 PolarHBondContact N-O 2.91Å; L135-N155 PolarHBondContact O-N 3Å |
| 136 | V | 95.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 130.6 | 171.9 | -174 | 0 | 0 | 0 | 0 | 108.8 | F123 Y124 F125 L134 H154 V164 I259 | F123-V136 HydrophobicContact CD1-CG1 4.44Å; F123-V136 HydrophobicContact CE1-CB 4.37Å; F123-V136 HydrophobicContact CE1-CG1 3.98Å; Y124-V136 WeakPolarHBondContact CA-O 3.22Å; F125-V136 HydrophobicContact CB-CB 4.2Å; F125-V136 HydrophobicContact CD1-CB 4.4Å; F125-V136 HydrophobicContact CD1-CG2 4.11Å; F125-V136 PolarHBondContact N-O 3.11Å; F125-V136 PolarHBondContact O-N 3.03Å; L134-V136 HydrophobicContact CD1-CG2 3.77Å; L134-V136 HydrophobicContact CD2-CG2 4.06Å; L134-V136 HydrophobicContact CG-CG2 3.85Å; V136-H154 HydrophobicContact CB-CB 4.42Å; V136-H154 HydrophobicContact CG1-CB 4.44Å; V136-H154 HydrophobicContact CG2-CB 3.91Å; V136-V164 HydrophobicContact CG1-CG1 4.11Å; V136-V164 HydrophobicContact CG1-CG2 3.94Å; V136-V164 HydrophobicContact CG2-CG2 4.05Å; V136-I259 HydrophobicContact CB-CD1 4.45Å; V136-I259 HydrophobicContact CG1-CD1 4.47Å; V136-I259 HydrophobicContact CG2-CD1 4.33Å; V136-I259 HydrophobicContact CG2-CG2 4.48Å |
| 137 | T | 95.3 | Very high | 88.9 | Confident | 43 Ų | 43 | 60.4 Ų | 60.4 | 26% | 0.264 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 142.3 | 174.9 | 60.6 | 0 | 0 | 0 | 0 | 109 | F123 Y124 L135 F152 R153 | F123-T137 CarbonylContact O-C 3.5Å; F123-T137 WeakPolarHBondContact O-CA 3.44Å; Y124-T137 HydrophobicContact CD2-CG2 3.81Å; Y124-T137 HydrophobicContact CE2-CG2 4.02Å; L135-T137 HydrophobicContact CD1-CG2 4Å; L135-T137 HydrophobicContact CG-CG2 4.25Å; T137-F152 CarbonylContact O-C 3.56Å; T137-F152 VanDerWaalsContact O-CA 3.3Å; T137-F152 WeakPolarHBondContact O-CA 3.46Å; T137-R153 PolarHBondContact N-O 3.32Å; T137-R153 PolarHBondContact O-N 2.72Å; T137-R153 WeakPolarHBondContact OG1-CB 3.03Å; T137-R153 PolarHBondContact OG1-O 2.81Å; T137-R153 VanDerWaalsContact OG1-O 3.06Å |
| 138 | G | 94.1 | Very high | 88.9 | Confident | 6 Ų | 6 | 58.7 Ų | 58.7 | 6% | 0.062 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 140.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | N122 F123 Y151 | N122-G138 WeakPolarHBondContact CA-O 3.41Å; F123-G138 PolarHBondContact N-O 2.82Å; F123-G138 PolarHBondContact O-N 2.7Å; G138-Y151 CarbonylContact C-O 3.59Å; G138-Y151 VanDerWaalsContact CA-O 3.22Å; G138-Y151 WeakPolarHBondContact CA-O 3.19Å |
| 139 | K | 92.3 | Very high | 89 | Confident | 122 Ų | 122 | 51.4 Ų | 51.4 | 53% | 0.53 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 129 | 173.9 | -177.9 | 178.7 | 178.7 | -179.1 | 0 | 110.1 | V150 Y151 | K139-V150 WeakPolarHBondContact O-CA 3.45Å; K139-Y151 PolarHBondContact N-O 3.41Å; K139-Y151 PolarHBondContact O-N 2.89Å |
| 140 | I | 90.1 | Very high | 89.4 | Confident | 29 Ų | 29 | 49 Ų | 49 | 15% | 0.149 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 139.1 | 174.8 | -168.8 | 164.2 | 0 | 0 | 0 | 111.2 | F118 W120 F148 V150 | F118-I140 HydrophobicContact CB-CD1 3.96Å; F118-I140 HydrophobicContact CD1-CD1 4.19Å; F118-I140 HydrophobicContact CD2-CD1 3.54Å; F118-I140 HydrophobicContact CE2-CD1 4.1Å; F118-I140 HydrophobicContact CG-CD1 3.6Å; W120-I140 WeakPolarHBondContact O-CG2 3.07Å; I140-F148 HydrophobicContact CD1-CD2 3.71Å; I140-F148 HydrophobicContact CD1-CE2 4.11Å; I140-F148 HydrophobicContact CD1-CG 4.32Å; I140-F148 HydrophobicContact CG1-CB 4.48Å; I140-F148 HydrophobicContact CG1-CD2 4.01Å; I140-V150 HydrophobicContact CD1-CG2 4.46Å; I140-V150 HydrophobicContact CG1-CG2 4.3Å |
| 141 | V | 89.9 | Confident | 90 | Very high | 49 Ų | 49 | 47.6 Ų | 47.6 | 30% | 0.297 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 117.6 | 174.4 | -178.9 | 0 | 0 | 0 | 0 | 108.1 | F148 T149 Y151 | V141-F148 CarbonylContact O-C 3.57Å; V141-F148 VanDerWaalsContact O-CA 3.23Å; V141-F148 WeakPolarHBondContact O-CA 3.04Å; V141-F148 WeakPolarHBondContact O-CB 3.47Å; V141-T149 PolarHBondContact N-O 3.47Å; V141-T149 PolarHBondContact O-N 3.1Å; V141-Y151 HydrophobicContact CB-CE2 4.31Å; V141-Y151 HydrophobicContact CG2-CD2 4.13Å; V141-Y151 HydrophobicContact CG2-CE2 3.86Å |
| 142 | D | 89 | Confident | 90.8 | Very high | 53 Ų | 53 | 41.5 Ų | 41.5 | 28% | 0.283 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 125.4 | 172.5 | -166.1 | -20.3 | 0 | 0 | 0 | 108.5 | T117 V144 K250 | T117-D142 PolarHBondContact OG1-OD2 3.05Å; D142-V144 VanDerWaalsContact C-N 3.3Å; D142-V144 PolarHBondContact OD1-N 2.87Å; D142-K250 IonicContact OD2-NZ 3.78Å |
| 143 | H | 87.7 | Confident | 91.3 | Very high | 63 Ų | 63 | 47.2 Ų | 47.2 | 29% | 0.292 | 25% | 0.245 | S | C | . | . | trans | -86.5 | 1.2 | -178.3 | -65.5 | -71.1 | 0 | 0 | 0 | 112.9 | N145 T147 T149 | H143-N145 PolarHBondContact O-N 2.83Å; H143-N145 PolarHBondContact O-OD1 3.44Å; H143-T147 WeakPolarHBondContact CB-O 3.46Å; H143-T147 PolarHBondContact N-O 2.84Å; H143-T149 WeakPolarHBondContact NE2-CB 2.82Å; H143-T149 PolarHBondContact NE2-OG1 2.91Å | ||
| 144 | V | 83 | Confident | 91.5 | Very high | 132 Ų | 132 | 46.1 Ų | 46.1 | 80% | 0.8 | 24% | 0.236 | S | C | * | . | S | Bend | trans | 67.3 | -25 | -175.6 | -170 | 0 | 0 | 0 | 0 | 113.5 | D142 G146 | D142-V144 VanDerWaalsContact C-N 3.3Å; D142-V144 PolarHBondContact OD1-N 2.87Å; V144-G146 PolarHBondContact O-N 2.93Å |
| 145 | N | 86.3 | Confident | 91.6 | Very high | 128 Ų | 128 | 48 Ų | 48 | 68% | 0.684 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -70.5 | 14.3 | 179.2 | -47.4 | -13.3 | 0 | 0 | 0 | 114 | H143 T147 | H143-N145 PolarHBondContact O-N 2.83Å; H143-N145 PolarHBondContact O-OD1 3.44Å; N145-T147 PolarHBondContact O-N 2.77Å |
| 146 | G | 85.5 | Confident | 91.5 | Very high | 24 Ų | 24 | 45.3 Ų | 45.3 | 25% | 0.247 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 80.5 | -6.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | V144 S249 K250 | V144-G146 PolarHBondContact O-N 2.93Å; G146-S249 CarbonylContact O-C 3.55Å; G146-K250 WeakPolarHBondContact O-CB 3.31Å; G146-K250 WeakPolarHBondContact O-CD 3.45Å; G146-K250 VanDerWaalsContact O-CG 3.27Å; G146-K250 WeakPolarHBondContact O-CG 3.4Å |
| 147 | T | 89.2 | Confident | 91.1 | Very high | 15 Ų | 15 | 47.8 Ų | 47.8 | 9% | 0.092 | 25% | 0.249 | C | C | . | . | trans | -110.3 | 153.9 | 177 | 67.2 | 0 | 0 | 0 | 0 | 111.7 | H143 N145 C248 | H143-T147 WeakPolarHBondContact CB-O 3.46Å; H143-T147 PolarHBondContact N-O 2.84Å; N145-T147 PolarHBondContact O-N 2.77Å; T147-C248 CarbonylContact C-O 3.59Å; T147-C248 VanDerWaalsContact CA-O 3.26Å; T147-C248 WeakPolarHBondContact CA-O 3.3Å; T147-C248 WeakPolarHBondContact CB-O 3.37Å | ||
| 148 | F | 90 | Very high | 90.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 152.2 | 170.7 | 63.5 | -87.5 | 0 | 0 | 0 | 110.2 | F118 I140 V141 V150 C248 I255 | F118-F148 HydrophobicContact CE1-CE1 4.45Å; F118-F148 HydrophobicContact CE1-CZ 4.28Å; F118-F148 AromaticContact CE2-CD1 3.69Å; F118-F148 HydrophobicContact CE2-CD1 3.69Å; F118-F148 HydrophobicContact CE2-CD2 4.46Å; F118-F148 AromaticContact CE2-CE1 3.8Å; F118-F148 HydrophobicContact CE2-CE1 3.8Å; F118-F148 HydrophobicContact CE2-CG 4.03Å; F118-F148 HydrophobicContact CE2-CZ 4.21Å; F118-F148 AromaticContact CZ-CD1 3.85Å; F118-F148 HydrophobicContact CZ-CD1 3.85Å; F118-F148 AromaticContact CZ-CE1 3.43Å; F118-F148 HydrophobicContact CZ-CE1 3.43Å; F118-F148 VanDerWaalsContact CZ-CE1 3.43Å; F118-F148 HydrophobicContact CZ-CE2 4.27Å; F118-F148 HydrophobicContact CZ-CG 4.42Å; F118-F148 AromaticContact CZ-CZ 3.64Å; F118-F148 HydrophobicContact CZ-CZ 3.64Å; I140-F148 HydrophobicContact CD1-CD2 3.71Å; I140-F148 HydrophobicContact CD1-CE2 4.11Å; I140-F148 HydrophobicContact CD1-CG 4.32Å; I140-F148 HydrophobicContact CG1-CB 4.48Å; I140-F148 HydrophobicContact CG1-CD2 4.01Å; V141-F148 CarbonylContact O-C 3.57Å; V141-F148 VanDerWaalsContact O-CA 3.23Å; V141-F148 WeakPolarHBondContact O-CA 3.04Å; V141-F148 WeakPolarHBondContact O-CB 3.47Å; F148-V150 HydrophobicContact CD2-CG2 3.85Å; F148-V150 HydrophobicContact CE2-CG2 3.79Å; F148-C248 HydrophobicContact CD1-CB 4.03Å; F148-C248 HydrophobicContact CD2-CB 4.02Å; F148-C248 HydrophobicContact CE1-CB 3.47Å; F148-C248 VanDerWaalsContact CE1-CB 3.47Å; F148-C248 HydrophobicContact CE2-CB 3.46Å; F148-C248 VanDerWaalsContact CE2-CB 3.46Å; F148-C248 HydrophobicContact CG-CB 4.29Å; F148-C248 HydrophobicContact CZ-CB 3.17Å; F148-C248 PolarHBondContact N-O 2.89Å; F148-C248 PolarHBondContact O-N 2.86Å; F148-I255 HydrophobicContact CE2-CD1 3.77Å; F148-I255 HydrophobicContact CZ-CD1 4Å; F148-I255 HydrophobicContact CZ-CG2 4.48Å |
| 149 | T | 92 | Very high | 89.5 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 135.5 | 173.5 | -61.1 | 0 | 0 | 0 | 0 | 109.9 | V141 H143 Y151 A245 W246 | V141-T149 PolarHBondContact N-O 3.47Å; V141-T149 PolarHBondContact O-N 3.1Å; H143-T149 WeakPolarHBondContact NE2-CB 2.82Å; H143-T149 PolarHBondContact NE2-OG1 2.91Å; T149-Y151 HydrophobicContact CG2-CD1 4.36Å; T149-Y151 HydrophobicContact CG2-CD2 4.08Å; T149-Y151 HydrophobicContact CG2-CE1 3.91Å; T149-Y151 HydrophobicContact CG2-CE2 3.6Å; T149-Y151 HydrophobicContact CG2-CG 4.44Å; T149-A245 HydrophobicContact CG2-CB 4.04Å; T149-W246 CarbonylContact C-O 3.56Å; T149-W246 VanDerWaalsContact CA-O 3.22Å; T149-W246 WeakPolarHBondContact CA-O 3.36Å |
| 150 | V | 93 | Very high | 89 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 118.9 | 171.4 | -170.3 | 0 | 0 | 0 | 0 | 108 | K139 I140 F148 F152 I166 A245 W246 I255 | K139-V150 WeakPolarHBondContact O-CA 3.45Å; I140-V150 HydrophobicContact CD1-CG2 4.46Å; I140-V150 HydrophobicContact CG1-CG2 4.3Å; F148-V150 HydrophobicContact CD2-CG2 3.85Å; F148-V150 HydrophobicContact CE2-CG2 3.79Å; V150-F152 HydrophobicContact CB-CE2 4.26Å; V150-F152 HydrophobicContact CB-CZ 4.37Å; V150-F152 HydrophobicContact CG1-CD1 4.46Å; V150-F152 HydrophobicContact CG1-CD2 4.38Å; V150-F152 HydrophobicContact CG1-CE1 3.85Å; V150-F152 HydrophobicContact CG1-CE2 3.75Å; V150-F152 HydrophobicContact CG1-CZ 3.46Å; V150-F152 VanDerWaalsContact CG1-CZ 3.46Å; V150-I166 HydrophobicContact CB-CD1 3.91Å; V150-I166 HydrophobicContact CG2-CD1 3.8Å; V150-A245 WeakPolarHBondContact O-CA 3.49Å; V150-W246 PolarHBondContact N-O 3.14Å; V150-W246 PolarHBondContact O-N 3.18Å; V150-I255 HydrophobicContact CG2-CD1 4.41Å |
| 151 | Y | 95.1 | Very high | 88.7 | Confident | 110 Ų | 110 | 47.3 Ų | 47.3 | 43% | 0.431 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 122.2 | 175.1 | -63.1 | -84.5 | 0 | 0 | 0 | 108.9 | G138 K139 V141 T149 A244 A245 | G138-Y151 CarbonylContact C-O 3.59Å; G138-Y151 VanDerWaalsContact CA-O 3.22Å; G138-Y151 WeakPolarHBondContact CA-O 3.19Å; K139-Y151 PolarHBondContact N-O 3.41Å; K139-Y151 PolarHBondContact O-N 2.89Å; V141-Y151 HydrophobicContact CB-CE2 4.31Å; V141-Y151 HydrophobicContact CG2-CD2 4.13Å; V141-Y151 HydrophobicContact CG2-CE2 3.86Å; T149-Y151 HydrophobicContact CG2-CD1 4.36Å; T149-Y151 HydrophobicContact CG2-CD2 4.08Å; T149-Y151 HydrophobicContact CG2-CE1 3.91Å; T149-Y151 HydrophobicContact CG2-CE2 3.6Å; T149-Y151 HydrophobicContact CG2-CG 4.44Å; Y151-A244 CarbonylContact C-O 3.48Å; Y151-A244 WeakPolarHBondContact CA-O 3.33Å; Y151-A245 HydrophobicContact CD1-CB 3.77Å; Y151-A245 HydrophobicContact CE1-CB 3.73Å |
| 152 | F | 96.4 | Very high | 88.7 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 138.2 | 169.9 | -64.1 | -68 | 0 | 0 | 0 | 110.1 | T137 V150 V164 I166 H243 A244 W246 I257 | T137-F152 CarbonylContact O-C 3.56Å; T137-F152 VanDerWaalsContact O-CA 3.3Å; T137-F152 WeakPolarHBondContact O-CA 3.46Å; V150-F152 HydrophobicContact CB-CE2 4.26Å; V150-F152 HydrophobicContact CB-CZ 4.37Å; V150-F152 HydrophobicContact CG1-CD1 4.46Å; V150-F152 HydrophobicContact CG1-CD2 4.38Å; V150-F152 HydrophobicContact CG1-CE1 3.85Å; V150-F152 HydrophobicContact CG1-CE2 3.75Å; V150-F152 HydrophobicContact CG1-CZ 3.46Å; V150-F152 VanDerWaalsContact CG1-CZ 3.46Å; F152-V164 HydrophobicContact CB-CG1 4.36Å; F152-V164 HydrophobicContact CD1-CG1 3.84Å; F152-V164 HydrophobicContact CD2-CG1 4.11Å; F152-V164 HydrophobicContact CE1-CG1 4.1Å; F152-V164 HydrophobicContact CE2-CG1 4.36Å; F152-V164 HydrophobicContact CG-CG1 3.84Å; F152-V164 HydrophobicContact CZ-CG1 4.35Å; F152-I166 HydrophobicContact CE2-CD1 4.09Å; F152-I166 HydrophobicContact CE2-CG1 3.79Å; F152-I166 HydrophobicContact CZ-CD1 4.44Å; F152-I166 HydrophobicContact CZ-CG1 4.09Å; F152-H243 CarbonylContact O-C 3.56Å; F152-H243 VanDerWaalsContact O-CA 3.3Å; F152-H243 WeakPolarHBondContact O-CA 3.4Å; F152-A244 PolarHBondContact N-O 3.47Å; F152-A244 PolarHBondContact O-N 3.44Å; F152-W246 AromaticContact CD2-CD1 3.62Å; F152-W246 AromaticContact CE2-CD1 3.75Å; F152-W246 HydrophobicContact CE2-CG 4.3Å; F152-I257 HydrophobicContact CE1-CD1 4.17Å; F152-I257 HydrophobicContact CE1-CG1 4.32Å; F152-I257 HydrophobicContact CE1-CG2 3.98Å; F152-I257 HydrophobicContact CZ-CD1 4.5Å; F152-I257 HydrophobicContact CZ-CG1 4.19Å; F152-I257 HydrophobicContact CZ-CG2 4.09Å |
| 153 | R | 95.9 | Very high | 88.8 | Confident | 124 Ų | 124 | 45.8 Ų | 45.8 | 47% | 0.468 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 122.9 | 164 | 174.8 | -175.8 | -177.8 | -172.1 | 2.7 | 107.9 | T137 Q241 T242 | T137-R153 PolarHBondContact N-O 3.32Å; T137-R153 PolarHBondContact O-N 2.72Å; T137-R153 WeakPolarHBondContact OG1-CB 3.03Å; T137-R153 PolarHBondContact OG1-O 2.81Å; T137-R153 VanDerWaalsContact OG1-O 3.06Å; R153-Q241 VanDerWaalsContact NE-NE2 3.16Å; R153-T242 CarbonylContact C-O 3.54Å; R153-T242 VanDerWaalsContact CA-O 3.31Å; R153-T242 WeakPolarHBondContact CA-O 3.34Å |
| 154 | H | 94.8 | Very high | 89.1 | Confident | 7 Ų | 7 | 43.5 Ų | 43.5 | 3% | 0.032 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 145.4 | 172.9 | 68.5 | -107.5 | 0 | 0 | 0 | 112.2 | L134 L135 V136 V164 Q241 T242 | L134-H154 HydrophobicContact CD1-CB 4.26Å; L135-H154 CarbonylContact O-C 3.58Å; L135-H154 WeakPolarHBondContact O-CA 3.41Å; V136-H154 HydrophobicContact CB-CB 4.42Å; V136-H154 HydrophobicContact CG1-CB 4.44Å; V136-H154 HydrophobicContact CG2-CB 3.91Å; H154-V164 HydrophobicContact CB-CG2 4.44Å; H154-Q241 WeakPolarHBondContact O-CA 3.4Å; H154-T242 WeakPolarHBondContact CE1-CB 3.15Å; H154-T242 VanDerWaalsContact CE1-CG2 3.4Å; H154-T242 WeakPolarHBondContact CE1-CG2 3.25Å; H154-T242 PolarHBondContact CE1-OG1 3.33Å; H154-T242 PolarHBondContact N-O 2.6Å; H154-T242 WeakPolarHBondContact NE2-CB 3.12Å; H154-T242 PolarHBondContact NE2-OG1 3.03Å; H154-T242 PolarHBondContact O-N 3.49Å |
| 155 | N | 93.6 | Very high | 89.5 | Confident | 41 Ų | 41 | 37.8 Ų | 37.8 | 22% | 0.219 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 125.9 | 177.3 | 179.6 | -44.7 | 0 | 0 | 0 | 108.5 | L134 L135 H239 T240 | L134-N155 WeakPolarHBondContact CA-O 3.22Å; L135-N155 PolarHBondContact N-O 2.91Å; L135-N155 PolarHBondContact O-N 3Å; N155-H239 PolarHBondContact ND2-CE1 2.82Å; N155-H239 PolarHBondContact ND2-NE2 2.81Å; N155-H239 PolarHBondContact OD1-NE2 2.92Å; N155-T240 CarbonylContact C-O 3.56Å; N155-T240 VanDerWaalsContact CA-O 3.32Å; N155-T240 WeakPolarHBondContact CA-O 3.03Å |
| 156 | S | 92.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 147.6 | 174.2 | 63.8 | 0 | 0 | 0 | 0 | 112.8 | S133 H239 T240 | S133-S156 WeakPolarHBondContact O-CA 3.34Å; S156-H239 CarbonylContact O-C 3.56Å; S156-H239 VanDerWaalsContact O-CA 3.24Å; S156-H239 WeakPolarHBondContact O-CA 3.43Å; S156-T240 PolarHBondContact N-O 3.46Å; S156-T240 PolarHBondContact O-N 3.49Å |
| 157 | S | 87.1 | Confident | 90 | Very high | 52 Ų | 52 | 31.1 Ų | 31.1 | 36% | 0.364 | 16% | 0.164 | S | C | . | . | trans | -114.6 | 22.7 | -177.4 | 74.4 | 0 | 0 | 0 | 0 | 114.2 | S133 E238 | S133-S157 WeakPolarHBondContact CB-OG 3.38Å; S133-S157 PolarHBondContact N-OG 2.83Å; S133-S157 PolarHBondContact O-N 3.29Å; S133-S157 VanDerWaalsContact O-N 3.08Å; S157-E238 CarbonylContact C-O 3.47Å; S157-E238 WeakPolarHBondContact CA-O 3.37Å | ||
| 158 | S | 79.2 | Confident | 90 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 6% | 0.056 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -136.1 | 157.5 | -177.2 | 67.2 | 0 | 0 | 0 | 0 | 112.2 | K131 F132 G160 E238 F261 | K131-S158 WeakPolarHBondContact O-CB 3.23Å; F132-S158 WeakPolarHBondContact CD2-OG 3.48Å; S158-G160 PolarHBondContact O-N 3.14Å; S158-G160 VanDerWaalsContact O-N 3.1Å; S158-E238 PolarHBondContact N-O 3.24Å; S158-E238 VanDerWaalsContact N-O 3.15Å; S158-F261 VanDerWaalsContact OG-CZ 3.25Å; S158-F261 WeakPolarHBondContact OG-CZ 3.35Å |
| 159 | L | 78.2 | Confident | 89.7 | Confident | 66 Ų | 66 | 33.4 Ų | 33.4 | 35% | 0.346 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -62.7 | 107.2 | 165.3 | -71.1 | 153.8 | 0 | 0 | 0 | 109.6 | F236 E238 S263 | L159-F236 HydrophobicContact CD1-CB 4.44Å; L159-E238 HydrophobicContact CD2-CB 4.08Å; L159-E238 HydrophobicContact CG-CB 4.25Å; L159-S263 VanDerWaalsContact O-CB 3.31Å; L159-S263 WeakPolarHBondContact O-CB 3.42Å; L159-S263 PolarHBondContact O-OG 3.4Å |
| 160 | G | 79.9 | Confident | 89.2 | Confident | 16 Ų | 16 | 37.7 Ų | 37.7 | 17% | 0.165 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.7 | 158.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S158 L262 | S158-G160 PolarHBondContact O-N 3.14Å; S158-G160 VanDerWaalsContact O-N 3.1Å; G160-L262 CarbonylContact C-O 3.52Å; G160-L262 WeakPolarHBondContact CA-O 3.38Å |
| 161 | N | 85.8 | Confident | 88.7 | Confident | 101 Ų | 101 | 39.1 Ų | 39.1 | 54% | 0.54 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 122.7 | 177.8 | -65.9 | -32 | 0 | 0 | 0 | 109 | F261 L262 | N161-F261 WeakPolarHBondContact O-CA 3.33Å; N161-L262 PolarHBondContact N-O 3.22Å; N161-L262 PolarHBondContact O-N 3.04Å |
| 162 | V | 89.4 | Confident | 87.9 | Confident | 23 Ų | 23 | 38 Ų | 38 | 14% | 0.139 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 132.3 | 171.9 | 179.8 | 0 | 0 | 0 | 0 | 107.5 | L134 V164 S260 F261 | L134-V162 HydrophobicContact CD1-CG1 3.75Å; L134-V162 HydrophobicContact CD1-CG2 4.05Å; L134-V162 HydrophobicContact CD2-CG1 4.2Å; V162-V164 HydrophobicContact CG1-CG2 4.37Å; V162-S260 WeakPolarHBondContact CA-O 3.44Å; V162-F261 HydrophobicContact CG2-CD2 3.53Å; V162-F261 HydrophobicContact CG2-CE2 4.1Å |
| 163 | S | 90.9 | Very high | 87.2 | Confident | 46 Ų | 46 | 41.2 Ų | 41.2 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 142 | 168.3 | 86.3 | 0 | 0 | 0 | 0 | 110.6 | I259 S260 | S163-I259 WeakPolarHBondContact O-CA 3.14Å; S163-S260 PolarHBondContact N-O 2.82Å; S163-S260 PolarHBondContact O-N 2.94Å; S163-S260 PolarHBondContact OG-OG 3.5Å |
| 164 | V | 93.5 | Very high | 86.4 | Confident | 15 Ų | 15 | 40.6 Ų | 40.6 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 118.3 | 175.8 | -176.4 | 0 | 0 | 0 | 0 | 107.7 | V136 F152 H154 V162 I257 F258 I259 | V136-V164 HydrophobicContact CG1-CG1 4.11Å; V136-V164 HydrophobicContact CG1-CG2 3.94Å; V136-V164 HydrophobicContact CG2-CG2 4.05Å; F152-V164 HydrophobicContact CB-CG1 4.36Å; F152-V164 HydrophobicContact CD1-CG1 3.84Å; F152-V164 HydrophobicContact CD2-CG1 4.11Å; F152-V164 HydrophobicContact CE1-CG1 4.1Å; F152-V164 HydrophobicContact CE2-CG1 4.36Å; F152-V164 HydrophobicContact CG-CG1 3.84Å; F152-V164 HydrophobicContact CZ-CG1 4.35Å; H154-V164 HydrophobicContact CB-CG2 4.44Å; V162-V164 HydrophobicContact CG1-CG2 4.37Å; V164-I257 HydrophobicContact CG1-CG2 3.99Å; V164-F258 WeakPolarHBondContact CA-O 3.11Å; V164-I259 HydrophobicContact CG1-CG1 4.38Å; V164-I259 HydrophobicContact CG2-CG1 4.45Å |
| 165 | S | 92.4 | Very high | 85.2 | Confident | 13 Ų | 13 | 46.2 Ų | 46.2 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 161.8 | -175.6 | 64.1 | 0 | 0 | 0 | 0 | 112.6 | I257 F258 | S165-I257 WeakPolarHBondContact O-CA 3.46Å; S165-F258 PolarHBondContact N-O 2.89Å; S165-F258 PolarHBondContact O-N 3.3Å |
| 166 | I | 91.8 | Very high | 83.8 | Confident | 6 Ų | 6 | 48.8 Ų | 48.8 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 124.3 | 171.5 | -58.2 | -175.8 | 0 | 0 | 0 | 108.2 | V150 F152 C211 W246 I255 C256 | V150-I166 HydrophobicContact CB-CD1 3.91Å; V150-I166 HydrophobicContact CG2-CD1 3.8Å; F152-I166 HydrophobicContact CE2-CD1 4.09Å; F152-I166 HydrophobicContact CE2-CG1 3.79Å; F152-I166 HydrophobicContact CZ-CD1 4.44Å; F152-I166 HydrophobicContact CZ-CG1 4.09Å; I166-C211 HydrophobicContact CG2-CB 4.38Å; I166-W246 HydrophobicContact CB-CD2 4.28Å; I166-W246 HydrophobicContact CB-CE3 3.99Å; I166-W246 HydrophobicContact CB-CZ3 4.38Å; I166-W246 HydrophobicContact CD1-CB 3.43Å; I166-W246 VanDerWaalsContact CD1-CB 3.43Å; I166-W246 HydrophobicContact CD1-CD2 4.19Å; I166-W246 HydrophobicContact CD1-CE3 4.4Å; I166-W246 HydrophobicContact CD1-CG 3.8Å; I166-W246 HydrophobicContact CG1-CB 4.17Å; I166-W246 HydrophobicContact CG1-CD2 3.96Å; I166-W246 HydrophobicContact CG1-CE3 4.17Å; I166-W246 HydrophobicContact CG1-CG 3.97Å; I166-I255 HydrophobicContact CD1-CD1 4.26Å; I166-I255 HydrophobicContact CG2-CB 3.82Å; I166-I255 HydrophobicContact CG2-CD1 3.99Å; I166-I255 HydrophobicContact CG2-CG1 4.42Å; I166-I255 HydrophobicContact CG2-CG2 4.15Å; I166-C256 WeakPolarHBondContact CA-O 3.43Å |
| 167 | V | 89.8 | Confident | 81.8 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 4% | 0.036 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 160.3 | -176 | -56 | 0 | 0 | 0 | 0 | 110.8 | K171 C256 F258 K271 | V167-K171 HydrophobicContact CB-CB 3.92Å; V167-K171 HydrophobicContact CB-CG 4.11Å; V167-K171 HydrophobicContact CG1-CG 4.33Å; V167-K171 HydrophobicContact CG2-CB 3.95Å; V167-K171 HydrophobicContact CG2-CG 4.24Å; V167-C256 HydrophobicContact CG2-CB 3.89Å; V167-C256 PolarHBondContact N-O 3Å; V167-C256 PolarHBondContact O-N 3.4Å; V167-F258 HydrophobicContact CB-CB 4.34Å; V167-F258 HydrophobicContact CG1-CB 3.61Å; V167-F258 HydrophobicContact CG1-CG 4.27Å; V167-F258 HydrophobicContact CG2-CB 3.77Å; V167-K271 HydrophobicContact CG2-CD 4.33Å; V167-K271 HydrophobicContact CG2-CG 4.42Å |
| 168 | P | 88.3 | Confident | 79.7 | Confident | 22 Ų | 22 | 56.2 Ų | 56.2 | 14% | 0.143 | 32% | 0.315 | C | S | . | . | trans | -75.2 | 158.6 | 175.2 | 22.6 | -10.1 | 0 | 0 | 0 | 109.2 | S170 K171 L209 | P168-S170 PolarHBondContact O-N 2.8Å; P168-S170 VanDerWaalsContact O-N 3.11Å; P168-K171 PolarHBondContact O-N 3.31Å; P168-L209 HydrophobicContact CB-CD1 4.01Å; P168-L209 HydrophobicContact CB-CD2 3.81Å; P168-L209 HydrophobicContact CB-CG 3.9Å; P168-L209 HydrophobicContact CG-CD1 3.54Å; P168-L209 HydrophobicContact CG-CD2 4.3Å; P168-L209 HydrophobicContact CG-CG 3.85Å | ||
| 169 | P | 84.6 | Confident | 77.8 | Confident | 40 Ų | 40 | 61.1 Ų | 61.1 | 26% | 0.26 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -30 | 175.7 | -26.4 | 35.4 | 0 | 0 | 0 | 114.3 | K171 V254 C256 K271 Y276 | P169-K171 VanDerWaalsContact C-N 3.3Å; P169-K171 PolarHBondContact O-N 3.15Å; P169-V254 HydrophobicContact CG-CB 4.04Å; P169-V254 HydrophobicContact CG-CG1 3.73Å; P169-C256 VanDerWaalsContact CA-SG 3.53Å; P169-K271 PolarHBondContact O-NZ 3.37Å; P169-Y276 HydrophobicContact CB-CD2 4.34Å; P169-Y276 HydrophobicContact CB-CE2 4.2Å |
| 170 | S | 81.4 | Confident | 75.7 | Confident | 92 Ų | 92 | 66.6 Ų | 66.6 | 64% | 0.643 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -18.5 | 178 | 52.2 | 0 | 0 | 0 | 0 | 114.6 | P168 V172 | P168-S170 PolarHBondContact O-N 2.8Å; P168-S170 VanDerWaalsContact O-N 3.11Å; S170-V172 PolarHBondContact O-N 3.08Å |
| 171 | K | 81.9 | Confident | 73.4 | Confident | 30 Ų | 30 | 74.6 Ų | 74.6 | 13% | 0.13 | 40% | 0.404 | C | S | . | . | trans | -62.8 | 124.5 | -179.3 | -180 | 65.8 | 178.2 | 172.4 | 0 | 110.2 | V167 P168 P169 E176 K271 | V167-K171 HydrophobicContact CB-CB 3.92Å; V167-K171 HydrophobicContact CB-CG 4.11Å; V167-K171 HydrophobicContact CG1-CG 4.33Å; V167-K171 HydrophobicContact CG2-CB 3.95Å; V167-K171 HydrophobicContact CG2-CG 4.24Å; P168-K171 PolarHBondContact O-N 3.31Å; P169-K171 VanDerWaalsContact C-N 3.3Å; P169-K171 PolarHBondContact O-N 3.15Å; K171-E176 IonicContact NZ-OE1 2.75Å; K171-E176 PolarHBondContact NZ-OE1 3.49Å; K171-K271 WeakPolarHBondContact O-CD 3.37Å; K171-K271 WeakPolarHBondContact O-CE 3.42Å; K171-K271 PolarHBondContact O-NZ 3.43Å | ||
| 172 | V | 79.8 | Confident | 70.7 | Confident | 87 Ų | 87 | 78 Ų | 78 | 53% | 0.527 | 42% | 0.417 | S | S | . | . | trans | -73.4 | 147.5 | 179.8 | -167.3 | 0 | 0 | 0 | 0 | 109.9 | S170 E174 | S170-V172 PolarHBondContact O-N 3.08Å; V172-E174 HydrophobicContact CB-CG 4.28Å; V172-E174 HydrophobicContact CG1-CG 3.83Å; V172-E174 PolarHBondContact O-N 2.88Å | ||
| 173 | V | 81.7 | Confident | 67.9 | Low | 70 Ų | 70 | 84.9 Ų | 84.9 | 42% | 0.424 | 45% | 0.451 | S | S | . | . | trans | -86.7 | 98.4 | 174.6 | -177 | 0 | 0 | 0 | 0 | 107.5 | V269 K271 | V173-V269 HydrophobicContact CG1-CB 4.23Å; V173-V269 HydrophobicContact CG1-CG1 3.74Å; V173-K271 HydrophobicContact CG2-CB 3.45Å; V173-K271 VanDerWaalsContact CG2-CB 3.45Å; V173-K271 HydrophobicContact CG2-CD 4.31Å; V173-K271 HydrophobicContact CG2-CG 4.49Å | ||
| 174 | E | 78.4 | Confident | 65 | Low | 112 Ų | 112 | 90.5 Ų | 90.5 | 52% | 0.523 | 47% | 0.472 | S | S | . | . | trans | -130 | 148.2 | 179.2 | -68.6 | -179.9 | -174.4 | 0 | 0 | 110.8 | V172 E176 | V172-E174 HydrophobicContact CB-CG 4.28Å; V172-E174 HydrophobicContact CG1-CG 3.83Å; V172-E174 PolarHBondContact O-N 2.88Å; E174-E176 PolarHBondContact O-N 2.86Å | ||
| 175 | F | 69.4 | Low | 62.3 | Low | 125 Ų | 125 | 94.1 Ų | 94.1 | 55% | 0.548 | 50% | 0.496 | S | S | . | . | trans | -76.3 | 81.8 | 164.7 | -65.4 | -84 | 0 | 0 | 0 | 107.6 | V177 K267 V269 | F175-V177 PolarHBondContact O-N 3.1Å; F175-K267 HydrophobicContact CD1-CB 3.94Å; F175-K267 HydrophobicContact CE1-CB 3.63Å; F175-V269 HydrophobicContact CD1-CB 4.43Å; F175-V269 HydrophobicContact CD1-CG2 3.47Å; F175-V269 VanDerWaalsContact CD1-CG2 3.47Å; F175-V269 HydrophobicContact CE1-CB 4.27Å; F175-V269 HydrophobicContact CE1-CG2 3.67Å; F175-V269 HydrophobicContact CG-CG2 4.08Å; F175-V269 HydrophobicContact CZ-CG2 4.42Å | ||
| 176 | E | 63.3 | Low | 59.6 | Low | 95 Ų | 95 | 101.8 Ų | 101.8 | 44% | 0.444 | 53% | 0.53 | S | S | . | . | trans | -64.7 | 91.5 | 166.8 | -77 | 179.4 | -165 | 0 | 0 | 107.7 | K171 E174 L178 | K171-E176 IonicContact NZ-OE1 2.75Å; K171-E176 PolarHBondContact NZ-OE1 3.49Å; E174-E176 PolarHBondContact O-N 2.86Å; E176-L178 VanDerWaalsContact C-N 3.27Å; E176-L178 PolarHBondContact O-N 3.32Å | ||
| 177 | V | 50.9 | Low | 56.6 | Low | 94 Ų | 94 | 108.1 Ų | 108.1 | 57% | 0.57 | 57% | 0.569 | S | S | * | * | trans | -71.7 | 95.2 | 160.4 | -178.2 | 0 | 0 | 0 | 0 | 104.3 | F175 P179 | F175-V177 PolarHBondContact O-N 3.1Å; V177-P179 VanDerWaalsContact O-CD 3.28Å; V177-P179 WeakPolarHBondContact O-CD 3.31Å | ||
| 178 | L | 44.1 | Very low | 54.3 | Low | 113 Ų | 113 | 117 Ų | 117 | 59% | 0.592 | 61% | 0.611 | S | S | * | * | trans | -45.1 | 117.8 | 163.4 | -86.6 | 152.3 | 0 | 0 | 0 | 106.8 | E176 Q180 T200 | E176-L178 VanDerWaalsContact C-N 3.27Å; E176-L178 PolarHBondContact O-N 3.32Å; L178-Q180 PolarHBondContact O-N 3.46Å; L178-T200 HydrophobicContact CD2-CG2 4.08Å | ||
| 179 | P | 37.8 | Very low | 51.5 | Low | 112 Ų | 112 | 125.3 Ų | 125.3 | 73% | 0.727 | 65% | 0.647 | S | S | * | * | trans | -56.8 | 122.4 | 168.5 | -14.8 | 27.4 | 0 | 0 | 0 | 105.1 | V177 Q181 | V177-P179 VanDerWaalsContact O-CD 3.28Å; V177-P179 WeakPolarHBondContact O-CD 3.31Å; P179-Q181 PolarHBondContact O-N 2.86Å | ||
| 180 | Q | 34 | Very low | 49.2 | Very low | 181 Ų | 181 | 131.3 Ų | 131.3 | 85% | 0.846 | 68% | 0.677 | S | S | * | * | trans | -46.3 | 117 | 163.8 | -81.9 | 176.9 | -79.9 | 0 | 0 | 106.2 | L178 H182 | L178-Q180 PolarHBondContact O-N 3.46Å; Q180-H182 PolarHBondContact O-N 2.88Å | ||
| 181 | Q | 32.8 | Very low | 46.8 | Very low | 184 Ų | 184 | 133 Ų | 133 | 86% | 0.86 | 68% | 0.683 | S | S | * | * | trans | -49.1 | 115.1 | 163.7 | -78.3 | 167.8 | -29 | 0 | 0 | 105.9 | P179 L183 | P179-Q181 PolarHBondContact O-N 2.86Å; Q181-L183 PolarHBondContact O-N 2.81Å | ||
| 182 | H | 28.6 | Very low | 44.6 | Very low | 173 Ų | 173 | 140.6 Ų | 140.6 | 80% | 0.801 | 72% | 0.719 | S | S | * | * | trans | -54.2 | 105.3 | 170.1 | -91.8 | -86.5 | 0 | 0 | 0 | 107 | Q180 H184 | Q180-H182 PolarHBondContact O-N 2.88Å; H182-H184 PolarHBondContact O-N 2.9Å | ||
| 183 | L | 30.6 | Very low | 42.3 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 87% | 0.869 | 73% | 0.731 | S | S | * | * | trans | -68.6 | 98.4 | 175.8 | -160.1 | 82.5 | 0 | 0 | 0 | 107.2 | Q181 | Q181-L183 PolarHBondContact O-N 2.81Š| ||
| 184 | H | 31.1 | Very low | 39.8 | Very low | 164 Ų | 164 | 148.1 Ų | 148.1 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | trans | -80.4 | 130.4 | 158.5 | -71.2 | 99.6 | 0 | 0 | 0 | 107.8 | H182 | H182-H184 PolarHBondContact O-N 2.9Š| ||
| 185 | P | 36.9 | Very low | 37.4 | Very low | 92 Ų | 92 | 151 Ų | 151 | 60% | 0.597 | 76% | 0.761 | S | S | * | * | trans | -83.1 | 158.8 | 178.7 | 32.6 | -30.8 | 0 | 0 | 0 | 111.6 | ||||
| 186 | H | 33.7 | Very low | 35.7 | Very low | 174 Ų | 174 | 149 Ų | 149 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | trans | 84.1 | 117 | 177.2 | -46.7 | -70.9 | 0 | 0 | 0 | 113.1 | ||||
| 187 | T | 30.7 | Very low | 34.3 | Very low | 139 Ų | 139 | 150 Ų | 150 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | cis | -157.5 | 147.4 | 41.5 | 6.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 188 | Q | 40.2 | Very low | 33.6 | Very low | 193 Ų | 193 | 153.2 Ų | 153.2 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -59.9 | 128.4 | 173.2 | -74.4 | 165.5 | -31.2 | 0 | 0 | 112.3 | ||||
| 189 | Q | 30.2 | Very low | 33.4 | Very low | 195 Ų | 195 | 150.1 Ų | 150.1 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | trans | -160.3 | 120.4 | 140.5 | -113 | 161.8 | 12.7 | 0 | 0 | 110.8 | V191 | Q189-V191 PolarHBondContact O-N 2.67Š| ||
| 190 | D | 36.4 | Very low | 33.5 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 89% | 0.893 | 75% | 0.753 | S | S | * | * | trans | -53.9 | 122.6 | 170.6 | -92.8 | -47.9 | 0 | 0 | 0 | 112 | ||||
| 191 | V | 30.9 | Very low | 34.1 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | trans | -151.3 | 127.1 | 143.4 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | Q189 I193 | Q189-V191 PolarHBondContact O-N 2.67Å; V191-I193 PolarHBondContact O-N 2.73Å | ||
| 192 | Q | 35.6 | Very low | 34.5 | Very low | 191 Ų | 191 | 138.9 Ų | 138.9 | 89% | 0.893 | 72% | 0.715 | S | S | * | * | trans | -49.1 | 118 | 172.3 | -66.5 | -178.4 | -24.9 | 0 | 0 | 113 | ||||
| 193 | I | 31.1 | Very low | 35.3 | Very low | 150 Ų | 150 | 136.1 Ų | 136.1 | 77% | 0.769 | 71% | 0.712 | S | S | * | * | trans | -142.4 | 97 | 162.8 | -51.4 | 177.3 | 0 | 0 | 0 | 109.2 | V191 E195 | V191-I193 PolarHBondContact O-N 2.73Å; I193-E195 PolarHBondContact O-N 2.98Å | ||
| 194 | Q | 28.3 | Very low | 36.1 | Very low | 165 Ų | 165 | 136.9 Ų | 136.9 | 77% | 0.771 | 71% | 0.709 | S | S | * | * | trans | 26.3 | 91.6 | 142.8 | -159.6 | 171.3 | -6.8 | 0 | 0 | 116.1 | T196 | Q194-T196 PolarHBondContact O-N 3Š| ||
| 195 | E | 29.6 | Very low | 36.9 | Very low | 171 Ų | 171 | 133.8 Ų | 133.8 | 80% | 0.799 | 69% | 0.694 | S | S | * | * | trans | -66.4 | 71.3 | 163.2 | -108.8 | -171.1 | 115.2 | 0 | 0 | 109.6 | I193 Q197 | I193-E195 PolarHBondContact O-N 2.98Å; E195-Q197 VanDerWaalsContact C-N 3.27Å; E195-Q197 PolarHBondContact O-N 2.72Å; E195-Q197 PolarHBondContact OE1-NE2 3.21Å | ||
| 196 | T | 33 | Very low | 37.7 | Very low | 85 Ų | 85 | 131.2 Ų | 131.2 | 52% | 0.521 | 69% | 0.685 | S | S | . | * | trans | -75.3 | 94.5 | 153 | -49.2 | 0 | 0 | 0 | 0 | 103.9 | Q194 Q198 | Q194-T196 PolarHBondContact O-N 3Å; T196-Q198 HydrophobicContact CG2-CG 4.02Å; T196-Q198 PolarHBondContact O-N 2.85Å | ||
| 197 | Q | 34.6 | Very low | 38.7 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 54% | 0.537 | 69% | 0.685 | S | S | . | * | trans | -63.3 | 80.5 | 160.8 | -67.8 | 179.5 | 18.6 | 0 | 0 | 106.1 | E195 A199 | E195-Q197 VanDerWaalsContact C-N 3.27Å; E195-Q197 PolarHBondContact O-N 2.72Å; E195-Q197 PolarHBondContact OE1-NE2 3.21Å; Q197-A199 PolarHBondContact O-N 2.87Å | ||
| 198 | Q | 36.2 | Very low | 40.2 | Very low | 161 Ų | 161 | 129.7 Ų | 129.7 | 75% | 0.752 | 67% | 0.672 | S | S | * | * | trans | -60.4 | 96.5 | 160.6 | -91.3 | 174 | -15.3 | 0 | 0 | 104.5 | T196 T200 | T196-Q198 HydrophobicContact CG2-CG 4.02Å; T196-Q198 PolarHBondContact O-N 2.85Å; Q198-T200 PolarHBondContact O-N 2.96Å | ||
| 199 | A | 39.6 | Very low | 41.9 | Very low | 49 Ų | 49 | 121.9 Ų | 121.9 | 41% | 0.405 | 64% | 0.636 | S | S | . | * | trans | -39 | 111 | 154.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | Q197 T201 | Q197-A199 PolarHBondContact O-N 2.87Å; A199-T201 VanDerWaalsContact C-N 3.3Å; A199-T201 PolarHBondContact O-N 3.35Å; A199-T201 PolarHBondContact O-OG1 3.35Å | ||
| 200 | T | 39.6 | Very low | 44.5 | Very low | 82 Ų | 82 | 116.7 Ų | 116.7 | 50% | 0.503 | 62% | 0.615 | S | S | . | * | trans | -56.8 | 95.4 | -169.1 | 36 | 0 | 0 | 0 | 0 | 109.3 | L178 Q198 | L178-T200 HydrophobicContact CD2-CG2 4.08Å; Q198-T200 PolarHBondContact O-N 2.96Å | ||
| 201 | T | 46.5 | Very low | 47.1 | Very low | 73 Ų | 73 | 109.6 Ų | 109.6 | 45% | 0.448 | 58% | 0.578 | S | S | . | * | trans | -110.9 | 120.9 | 165 | 12.5 | 0 | 0 | 0 | 0 | 103.6 | A199 | A199-T201 VanDerWaalsContact C-N 3.3Å; A199-T201 PolarHBondContact O-N 3.35Å; A199-T201 PolarHBondContact O-OG1 3.35Å | ||
| 202 | D | 40.5 | Very low | 50 | Low | 85 Ų | 85 | 111.1 Ų | 111.1 | 46% | 0.455 | 57% | 0.57 | S | S | . | * | trans | -44.1 | 125.5 | 171.5 | -177.5 | -23.4 | 0 | 0 | 0 | 108.4 | K204 E205 G206 | D202-K204 PolarHBondContact O-N 2.82Å; D202-K204 WeakPolarHBondContact OD1-CB 3.34Å; D202-K204 PolarHBondContact OD1-N 2.87Å; D202-E205 PolarHBondContact O-N 3.26Å; D202-G206 PolarHBondContact O-N 3.28Å | ||
| 203 | P | 46.8 | Very low | 52.7 | Low | 116 Ų | 116 | 104.8 Ų | 104.8 | 75% | 0.753 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -16.4 | 179 | 18.4 | -29.2 | 0 | 0 | 0 | 113.3 | ||
| 204 | K | 47.1 | Very low | 55.7 | Low | 182 Ų | 182 | 101.8 Ų | 101.8 | 79% | 0.791 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -30.1 | 169.8 | -85.1 | -175.6 | 170.1 | 177.5 | 0 | 114.6 | D202 | D202-K204 PolarHBondContact O-N 2.82Å; D202-K204 WeakPolarHBondContact OD1-CB 3.34Å; D202-K204 PolarHBondContact OD1-N 2.87Å |
| 205 | E | 48.3 | Very low | 58.8 | Low | 98 Ų | 98 | 99.5 Ų | 99.5 | 46% | 0.458 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -24.3 | -176.9 | -72.2 | -175.5 | 149.9 | 0 | 0 | 113.3 | D202 K207 T208 | D202-E205 PolarHBondContact O-N 3.26Å; E205-K207 PolarHBondContact O-N 2.9Å; E205-K207 VanDerWaalsContact O-N 3.14Å; E205-T208 PolarHBondContact O-N 3.1Å; E205-T208 PolarHBondContact O-OG1 3.19Å |
| 206 | G | 52.8 | Low | 61.9 | Low | 38 Ų | 38 | 95.5 Ų | 95.5 | 39% | 0.392 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -62.8 | -18.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | D202 T208 | D202-G206 PolarHBondContact O-N 3.28Å; G206-T208 PolarHBondContact O-N 3.2Å |
| 207 | K | 54.2 | Low | 64.8 | Low | 189 Ų | 189 | 97.2 Ų | 97.2 | 82% | 0.822 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -71.1 | -11.6 | 177.2 | -89.2 | 177.4 | 177 | 176.1 | 0 | 114.5 | E205 | E205-K207 PolarHBondContact O-N 2.9Å; E205-K207 VanDerWaalsContact O-N 3.14Å |
| 208 | T | 62.9 | Low | 67.6 | Low | 93 Ų | 93 | 94.3 Ų | 94.3 | 57% | 0.571 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -96.1 | -13.2 | -173.4 | 59.8 | 0 | 0 | 0 | 0 | 114.4 | E205 G206 | E205-T208 PolarHBondContact O-N 3.1Å; E205-T208 PolarHBondContact O-OG1 3.19Å; G206-T208 PolarHBondContact O-N 3.2Å |
| 209 | L | 74.9 | Confident | 70.3 | Confident | 28 Ų | 28 | 91.2 Ų | 91.2 | 15% | 0.147 | 47% | 0.472 | C | S | . | . | trans | -117.3 | 115.5 | -179.9 | -77.1 | 168.3 | 0 | 0 | 0 | 110.7 | P168 C211 | P168-L209 HydrophobicContact CB-CD1 4.01Å; P168-L209 HydrophobicContact CB-CD2 3.81Å; P168-L209 HydrophobicContact CB-CG 3.9Å; P168-L209 HydrophobicContact CG-CD1 3.54Å; P168-L209 HydrophobicContact CG-CD2 4.3Å; P168-L209 HydrophobicContact CG-CG 3.85Å; L209-C211 PolarHBondContact O-N 2.73Å | ||
| 210 | N | 86.3 | Confident | 72.8 | Confident | 87 Ų | 87 | 95.5 Ų | 95.5 | 47% | 0.465 | 48% | 0.478 | S | S | . | . | trans | -83.4 | 56.7 | 170 | -48.8 | -22.5 | 0 | 0 | 0 | 110 | C248 S249 F252 | N210-C248 CarbonylContact O-C 3.54Å; N210-C248 WeakPolarHBondContact O-CA 3.36Å; N210-S249 PolarHBondContact O-N 3.03Å; N210-F252 HydrophobicContact CB-CE1 4.41Å; N210-F252 HydrophobicContact CB-CE2 3.58Å; N210-F252 HydrophobicContact CB-CZ 3.3Å; N210-F252 VanDerWaalsContact CG-CZ 3.41Å; N210-F252 WeakPolarHBondContact ND2-CZ 3.36Å | ||
| 211 | C | 89.9 | Confident | 75.2 | Confident | 17 Ų | 17 | 94 Ų | 94 | 12% | 0.115 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 130.2 | 172 | -73.3 | 0 | 0 | 0 | 0 | 108.6 | I166 L209 W246 R247 C248 | I166-C211 HydrophobicContact CG2-CB 4.38Å; L209-C211 PolarHBondContact O-N 2.73Å; C211-W246 HydrophobicContact CB-CE3 4.38Å; C211-R247 CarbonylContact C-O 3.51Å; C211-R247 WeakPolarHBondContact CA-O 3.44Å; C211-C248 HydrophobicContact CB-CB 4.16Å; C211-C248 WeakPolarHBondContact CB-SG 3.12Å; C211-C248 WeakPolarHBondContact SG-CB 3.47Å; C211-C248 CovalentContact SG-SG 2.04Å; C211-C248 PolarHBondContact SG-SG 3.08Å |
| 212 | R | 91.7 | Very high | 77.3 | Confident | 159 Ų | 159 | 96.5 Ų | 96.5 | 60% | 0.6 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 152.4 | 178.6 | 67.1 | -178.8 | -174 | 179.8 | 3.3 | 111.2 | E214 W246 R247 | R212-E214 IonicContact NH2-OE1 3.73Å; R212-E214 PolarHBondContact O-N 2.64Å; R212-W246 CarbonylContact O-C 3.57Å; R212-W246 WeakPolarHBondContact O-CA 3.32Å; R212-R247 PolarHBondContact N-O 3.47Å; R212-R247 PolarHBondContact O-N 3.43Å |
| 213 | V | 93.2 | Very high | 79.6 | Confident | 58 Ų | 58 | 99.4 Ų | 99.4 | 35% | 0.352 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 123.8 | 169.7 | -174.6 | 0 | 0 | 0 | 0 | 108.2 | E216 W246 | V213-E216 HydrophobicContact CG1-CB 4.11Å; V213-W246 HydrophobicContact CG2-CD2 3.92Å; V213-W246 HydrophobicContact CG2-CE3 4.11Å; V213-W246 HydrophobicContact CG2-CH2 3.65Å; V213-W246 HydrophobicContact CG2-CZ2 3.42Å; V213-W246 VanDerWaalsContact CG2-CZ2 3.42Å; V213-W246 HydrophobicContact CG2-CZ3 3.99Å |
| 214 | E | 94 | Very high | 81.6 | Confident | 86 Ų | 86 | 97.9 Ų | 97.9 | 40% | 0.402 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -32.6 | 171.4 | -73.1 | -162.2 | 143.3 | 0 | 0 | 112 | R212 A245 R247 | R212-E214 IonicContact NH2-OE1 3.73Å; R212-E214 PolarHBondContact O-N 2.64Å; E214-A245 PolarHBondContact N-O 3Å; E214-R247 VanDerWaalsContact CD-CB 3.44Å; E214-R247 HydrophobicContact CG-CB 3.65Å; E214-R247 WeakPolarHBondContact OE1-CD 3.3Å; E214-R247 IonicContact OE1-CZ 2.87Å; E214-R247 IonicContact OE1-NE 3.71Å; E214-R247 IonicContact OE1-NH1 2.72Å; E214-R247 PolarHBondContact OE1-NH1 2.98Å; E214-R247 WeakPolarHBondContact OE2-CD 3.28Å |
| 215 | Y | 93 | Very high | 83.5 | Confident | 118 Ų | 118 | 94.7 Ų | 94.7 | 46% | 0.463 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 137.9 | -178.8 | 172.5 | -100.7 | 0 | 0 | 0 | 109.4 | K217 H243 A244 A245 | Y215-K217 HydrophobicContact CE1-CB 3.84Å; Y215-K217 HydrophobicContact CE2-CB 4.16Å; Y215-K217 VanDerWaalsContact CZ-CB 3.44Å; Y215-K217 WeakPolarHBondContact OH-CB 3.43Å; Y215-K217 WeakPolarHBondContact OH-CD 3.32Å; Y215-H243 HydrophobicContact CE1-CB 4.4Å; Y215-A244 CarbonylContact O-C 3.45Å; Y215-A244 VanDerWaalsContact O-CA 3.28Å; Y215-A244 WeakPolarHBondContact O-CA 3.36Å; Y215-A245 PolarHBondContact N-O 2.88Å; Y215-A245 PolarHBondContact O-N 2.91Å |
| 216 | E | 94.1 | Very high | 85.5 | Confident | 86 Ų | 86 | 94.4 Ų | 94.4 | 40% | 0.402 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 134 | 167.7 | -175 | 165.9 | -169.1 | 0 | 0 | 108.5 | V213 T242 H243 A244 | V213-E216 HydrophobicContact CG1-CB 4.11Å; E216-T242 HydrophobicContact CG-CG2 4.16Å; E216-H243 CarbonylContact C-O 3.43Å; E216-H243 WeakPolarHBondContact CA-O 3.45Å; E216-A244 HydrophobicContact CG-CB 4.3Å |
| 217 | K | 95.1 | Very high | 87.3 | Confident | 121 Ų | 121 | 93.5 Ų | 93.5 | 53% | 0.526 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 125.1 | 173.9 | 176.3 | 176.3 | 178.9 | 178.2 | 0 | 109.2 | Y215 T242 H243 | Y215-K217 HydrophobicContact CE1-CB 3.84Å; Y215-K217 HydrophobicContact CE2-CB 4.16Å; Y215-K217 VanDerWaalsContact CZ-CB 3.44Å; Y215-K217 WeakPolarHBondContact OH-CB 3.43Å; Y215-K217 WeakPolarHBondContact OH-CD 3.32Å; K217-T242 CarbonylContact O-C 3.54Å; K217-T242 VanDerWaalsContact O-CA 3.28Å; K217-T242 WeakPolarHBondContact O-CA 3.32Å; K217-H243 PolarHBondContact N-O 3.03Å; K217-H243 PolarHBondContact O-N 2.87Å |
| 218 | T | 93.7 | Very high | 88.7 | Confident | 55 Ų | 55 | 91.7 Ų | 91.7 | 34% | 0.337 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 123.4 | 179.8 | -58.2 | 0 | 0 | 0 | 0 | 108.8 | R220 T240 T242 | T218-R220 HydrophobicContact CG2-CG 3.93Å; T218-T240 HydrophobicContact CG2-CG2 3.82Å; T218-T242 VanDerWaalsContact OG1-CG2 3.32Å; T218-T242 WeakPolarHBondContact OG1-CG2 3.18Å; T218-T242 PolarHBondContact OG1-OG1 2.78Å |
| 219 | D | 92.8 | Very high | 89.9 | Confident | 96 Ų | 96 | 97.8 Ų | 97.8 | 51% | 0.513 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 126.3 | 171.7 | -172.9 | -5.8 | 0 | 0 | 0 | 108.5 | T240 Q241 | D219-T240 CarbonylContact O-C 3.01Å; D219-T240 WeakPolarHBondContact O-CA 3.18Å; D219-Q241 PolarHBondContact N-O 3.48Å; D219-Q241 PolarHBondContact O-N 3.05Å |
| 220 | R | 91.4 | Very high | 90.7 | Very high | 138 Ų | 138 | 98.9 Ų | 98.9 | 52% | 0.521 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 126.9 | -179 | -63.2 | -168.1 | 179.8 | 166.5 | 0 | 109.5 | T218 T240 | T218-R220 HydrophobicContact CG2-CG 3.93Å; R220-T240 HydrophobicContact CG-CG2 3.97Å |
| 221 | S | 89.9 | Confident | 90.9 | Very high | 52 Ų | 52 | 99.8 Ų | 99.8 | 36% | 0.364 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 126.5 | 173.6 | 65.6 | 0 | 0 | 0 | 0 | 109.7 | E238 H239 | S221-E238 WeakPolarHBondContact O-CA 3.17Å; S221-H239 PolarHBondContact N-O 2.93Å; S221-H239 PolarHBondContact O-N 2.95Å; S221-H239 PolarHBondContact OG-O 2.71Å |
| 222 | K | 89.8 | Confident | 90.9 | Very high | 124 Ų | 124 | 103.8 Ų | 103.8 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 126.6 | 178.5 | -174.3 | 173.4 | 175.6 | 177.8 | 0 | 108.9 | F236 | K222-F236 HydrophobicContact CD-CB 4.49Å; K222-F236 HydrophobicContact CD-CD1 4.2Å; K222-F236 HydrophobicContact CD-CG 4.47Å; K222-F236 VanDerWaalsContact CE-CB 3.48Å; K222-F236 HydrophobicContact CG-CB 4.28Å; K222-F236 HydrophobicContact CG-CD1 4.16Å |
| 223 | K | 88.9 | Confident | 90.9 | Very high | 146 Ų | 146 | 101.5 Ų | 101.5 | 64% | 0.635 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 126.6 | 176 | -65.4 | -175.9 | 179.6 | -178 | 0 | 109.4 | F236 T237 | K223-F236 WeakPolarHBondContact O-CA 3.44Å; K223-T237 PolarHBondContact N-O 3.09Å; K223-T237 PolarHBondContact O-N 2.75Å; K223-T237 PolarHBondContact O-OG1 3.29Å |
| 224 | S | 89.1 | Confident | 90.7 | Very high | 85 Ų | 85 | 103 Ų | 103 | 59% | 0.594 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 141.7 | 171.3 | 50.9 | 0 | 0 | 0 | 0 | 110.3 | C235 | S224-C235 WeakPolarHBondContact CA-O 3.4Å |
| 225 | K | 87.6 | Confident | 90.4 | Very high | 114 Ų | 114 | 101.1 Ų | 101.1 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 147.6 | 172.7 | 64.3 | -176.8 | -169.6 | -179.1 | 0 | 109.5 | C235 T237 | K225-C235 HydrophobicContact CG-CB 4.42Å; K225-C235 PolarHBondContact N-O 2.89Å; K225-C235 CarbonylContact O-C 3.54Å; K225-C235 WeakPolarHBondContact O-CA 3.4Å; K225-C235 WeakPolarHBondContact O-CB 3.46Å; K225-C235 PolarHBondContact O-N 2.81Å; K225-T237 HydrophobicContact CD-CG2 4.1Å |
| 226 | P | 90.7 | Very high | 90.1 | Very high | 92 Ų | 92 | 99.8 Ų | 99.8 | 60% | 0.597 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 142.1 | 169.9 | -24.7 | 34.6 | 0 | 0 | 0 | 111.1 | Q233 | P226-Q233 WeakPolarHBondContact CA-O 3.37Å |
| 227 | C | 89.3 | Confident | 89.7 | Confident | 19 Ų | 19 | 98.2 Ų | 98.2 | 13% | 0.128 | 51% | 0.508 | C | S | . | . | trans | -69 | 149 | 177.3 | -62.6 | 0 | 0 | 0 | 0 | 111 | D230 Q233 C235 | C227-D230 WeakPolarHBondContact CB-O 3.37Å; C227-D230 CarbonylContact O-C 3.6Å; C227-Q233 HydrophobicContact CB-CB 4.31Å; C227-Q233 PolarHBondContact N-O 3.05Å; C227-C235 VanDerWaalsContact CA-SG 3.53Å; C227-C235 HydrophobicContact CB-CB 4.05Å; C227-C235 WeakPolarHBondContact CB-SG 3.28Å; C227-C235 VanDerWaalsContact SG-CA 3.54Å; C227-C235 WeakPolarHBondContact SG-CB 3.41Å; C227-C235 PolarHBondContact SG-N 3.32Å; C227-C235 CovalentContact SG-SG 2.03Å; C227-C235 PolarHBondContact SG-SG 3.18Å | ||
| 228 | L | 85 | Confident | 89.4 | Confident | 152 Ų | 152 | 93.9 Ų | 93.9 | 80% | 0.796 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -66.3 | -40.2 | -176.4 | -177.2 | 66.1 | 0 | 0 | 0 | 112.8 | ||
| 229 | Y | 86.4 | Confident | 89.2 | Confident | 220 Ų | 220 | 94.6 Ų | 94.6 | 86% | 0.863 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -92.6 | -15.3 | -175 | -62.2 | -74.9 | 0 | 0 | 0 | 113.5 | ||
| 230 | D | 92.1 | Very high | 89.2 | Confident | 51 Ų | 51 | 90.3 Ų | 90.3 | 27% | 0.273 | 47% | 0.467 | S | S | . | . | trans | -148.6 | 96.8 | 178.4 | -176.3 | -4.7 | 0 | 0 | 0 | 109.6 | C227 S232 Q233 | C227-D230 WeakPolarHBondContact CB-O 3.37Å; C227-D230 CarbonylContact O-C 3.6Å; D230-S232 VanDerWaalsContact CG-OG 3.3Å; D230-S232 PolarHBondContact O-N 3.07Å; D230-S232 WeakPolarHBondContact OD1-CB 3.49Å; D230-S232 PolarHBondContact OD1-N 2.88Å; D230-S232 PolarHBondContact OD1-OG 2.03Å; D230-S232 PolarHBondContact OD2-OG 3.4Å; D230-Q233 HydrophobicContact CB-CB 4.47Å; D230-Q233 HydrophobicContact CB-CG 4.33Å; D230-Q233 PolarHBondContact O-N 2.75Å; D230-Q233 VanDerWaalsContact O-N 3.09Å; D230-Q233 WeakPolarHBondContact OD2-CG 3.24Å; D230-Q233 PolarHBondContact OD2-NE2 2.84Å | ||
| 231 | P | 90.3 | Very high | 89.3 | Confident | 107 Ų | 107 | 86 Ų | 86 | 70% | 0.695 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -10.7 | -177.5 | 28.9 | -34.8 | 0 | 0 | 0 | 113.5 | Q233 | P231-Q233 VanDerWaalsContact C-N 3.27Š|
| 232 | S | 91.7 | Very high | 89.6 | Confident | 100 Ų | 100 | 83.6 Ų | 83.6 | 70% | 0.699 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -18.3 | 172.5 | 76.6 | 0 | 0 | 0 | 0 | 112.6 | D230 | D230-S232 VanDerWaalsContact CG-OG 3.3Å; D230-S232 PolarHBondContact O-N 3.07Å; D230-S232 WeakPolarHBondContact OD1-CB 3.49Å; D230-S232 PolarHBondContact OD1-N 2.88Å; D230-S232 PolarHBondContact OD1-OG 2.03Å; D230-S232 PolarHBondContact OD2-OG 3.4Å |
| 233 | Q | 90.5 | Very high | 89.9 | Confident | 111 Ų | 111 | 81.1 Ų | 81.1 | 52% | 0.519 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -95.7 | 143.3 | 176.7 | -67 | -178.2 | 32.3 | 0 | 0 | 111.9 | P226 C227 D230 P231 | P226-Q233 WeakPolarHBondContact CA-O 3.37Å; C227-Q233 HydrophobicContact CB-CB 4.31Å; C227-Q233 PolarHBondContact N-O 3.05Å; D230-Q233 HydrophobicContact CB-CB 4.47Å; D230-Q233 HydrophobicContact CB-CG 4.33Å; D230-Q233 PolarHBondContact O-N 2.75Å; D230-Q233 VanDerWaalsContact O-N 3.09Å; D230-Q233 WeakPolarHBondContact OD2-CG 3.24Å; D230-Q233 PolarHBondContact OD2-NE2 2.84Å; P231-Q233 VanDerWaalsContact C-N 3.27Å |
| 234 | T | 89.7 | Confident | 90.2 | Very high | 90 Ų | 90 | 74.4 Ų | 74.4 | 55% | 0.552 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 117.1 | 174 | -59.6 | 0 | 0 | 0 | 0 | 110.3 | F236 | T234-F236 HydrophobicContact CG2-CE1 4.07Å; T234-F236 HydrophobicContact CG2-CE2 4.47Å; T234-F236 HydrophobicContact CG2-CZ 3.97Å |
| 235 | C | 87.6 | Confident | 90.5 | Very high | 46 Ų | 46 | 70.7 Ų | 70.7 | 31% | 0.311 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 157.1 | 171.6 | -84.5 | 0 | 0 | 0 | 0 | 110.7 | S224 K225 C227 | S224-C235 WeakPolarHBondContact CA-O 3.4Å; K225-C235 HydrophobicContact CG-CB 4.42Å; K225-C235 PolarHBondContact N-O 2.89Å; K225-C235 CarbonylContact O-C 3.54Å; K225-C235 WeakPolarHBondContact O-CA 3.4Å; K225-C235 WeakPolarHBondContact O-CB 3.46Å; K225-C235 PolarHBondContact O-N 2.81Å; C227-C235 VanDerWaalsContact CA-SG 3.53Å; C227-C235 HydrophobicContact CB-CB 4.05Å; C227-C235 WeakPolarHBondContact CB-SG 3.28Å; C227-C235 VanDerWaalsContact SG-CA 3.54Å; C227-C235 WeakPolarHBondContact SG-CB 3.41Å; C227-C235 PolarHBondContact SG-N 3.32Å; C227-C235 CovalentContact SG-SG 2.03Å; C227-C235 PolarHBondContact SG-SG 3.18Å |
| 236 | F | 86.3 | Confident | 90.8 | Very high | 91 Ų | 91 | 66.4 Ų | 66.4 | 40% | 0.399 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138.8 | 178.6 | -58 | -80.9 | 0 | 0 | 0 | 111.2 | L159 K222 K223 T234 | L159-F236 HydrophobicContact CD1-CB 4.44Å; K222-F236 HydrophobicContact CD-CB 4.49Å; K222-F236 HydrophobicContact CD-CD1 4.2Å; K222-F236 HydrophobicContact CD-CG 4.47Å; K222-F236 VanDerWaalsContact CE-CB 3.48Å; K222-F236 HydrophobicContact CG-CB 4.28Å; K222-F236 HydrophobicContact CG-CD1 4.16Å; K223-F236 WeakPolarHBondContact O-CA 3.44Å; T234-F236 HydrophobicContact CG2-CE1 4.07Å; T234-F236 HydrophobicContact CG2-CE2 4.47Å; T234-F236 HydrophobicContact CG2-CZ 3.97Å |
| 237 | T | 84.9 | Confident | 90.9 | Very high | 52 Ų | 52 | 65.8 Ų | 65.8 | 32% | 0.319 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 123 | 165.1 | 52.3 | 0 | 0 | 0 | 0 | 108.1 | K223 K225 | K223-T237 PolarHBondContact N-O 3.09Å; K223-T237 PolarHBondContact O-N 2.75Å; K223-T237 PolarHBondContact O-OG1 3.29Å; K225-T237 HydrophobicContact CD-CG2 4.1Å |
| 238 | E | 89.1 | Confident | 91 | Very high | 31 Ų | 31 | 64.9 Ų | 64.9 | 15% | 0.145 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 135.7 | 174.6 | -170.4 | 171.5 | 142.2 | 0 | 0 | 109.1 | S157 S158 L159 S221 T240 | S157-E238 CarbonylContact C-O 3.47Å; S157-E238 WeakPolarHBondContact CA-O 3.37Å; S158-E238 PolarHBondContact N-O 3.24Å; S158-E238 VanDerWaalsContact N-O 3.15Å; L159-E238 HydrophobicContact CD2-CB 4.08Å; L159-E238 HydrophobicContact CG-CB 4.25Å; S221-E238 WeakPolarHBondContact O-CA 3.17Å; E238-T240 PolarHBondContact OE1-OG1 3.5Å |
| 239 | H | 90.8 | Very high | 91.2 | Very high | 70 Ų | 70 | 60.2 Ų | 60.2 | 32% | 0.324 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 119.5 | 171.2 | 178.4 | -74.5 | 0 | 0 | 0 | 108.8 | N155 S156 S221 | N155-H239 PolarHBondContact ND2-CE1 2.82Å; N155-H239 PolarHBondContact ND2-NE2 2.81Å; N155-H239 PolarHBondContact OD1-NE2 2.92Å; S156-H239 CarbonylContact O-C 3.56Å; S156-H239 VanDerWaalsContact O-CA 3.24Å; S156-H239 WeakPolarHBondContact O-CA 3.43Å; S221-H239 PolarHBondContact N-O 2.93Å; S221-H239 PolarHBondContact O-N 2.95Å; S221-H239 PolarHBondContact OG-O 2.71Å |
| 240 | T | 92.1 | Very high | 90.8 | Very high | 6 Ų | 6 | 53 Ų | 53 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 128.4 | -176.7 | -65 | 0 | 0 | 0 | 0 | 109.2 | N155 S156 T218 D219 R220 E238 | N155-T240 CarbonylContact C-O 3.56Å; N155-T240 VanDerWaalsContact CA-O 3.32Å; N155-T240 WeakPolarHBondContact CA-O 3.03Å; S156-T240 PolarHBondContact N-O 3.46Å; S156-T240 PolarHBondContact O-N 3.49Å; T218-T240 HydrophobicContact CG2-CG2 3.82Å; D219-T240 CarbonylContact O-C 3.01Å; D219-T240 WeakPolarHBondContact O-CA 3.18Å; R220-T240 HydrophobicContact CG-CG2 3.97Å; E238-T240 PolarHBondContact OE1-OG1 3.5Å |
| 241 | Q | 94 | Very high | 89.4 | Confident | 46 Ų | 46 | 56.3 Ų | 56.3 | 22% | 0.215 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 120.8 | 174.2 | -178.3 | 178.7 | -4.2 | 0 | 0 | 109.5 | R153 H154 D219 H243 | R153-Q241 VanDerWaalsContact NE-NE2 3.16Å; H154-Q241 WeakPolarHBondContact O-CA 3.4Å; D219-Q241 PolarHBondContact N-O 3.48Å; D219-Q241 PolarHBondContact O-N 3.05Å; Q241-H243 PolarHBondContact NE2-NE2 3.13Å |
| 242 | T | 95 | Very high | 88.2 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 141 | -178 | -49.8 | 0 | 0 | 0 | 0 | 110.4 | R153 H154 E216 K217 T218 | R153-T242 CarbonylContact C-O 3.54Å; R153-T242 VanDerWaalsContact CA-O 3.31Å; R153-T242 WeakPolarHBondContact CA-O 3.34Å; H154-T242 WeakPolarHBondContact CE1-CB 3.15Å; H154-T242 VanDerWaalsContact CE1-CG2 3.4Å; H154-T242 WeakPolarHBondContact CE1-CG2 3.25Å; H154-T242 PolarHBondContact CE1-OG1 3.33Å; H154-T242 PolarHBondContact N-O 2.6Å; H154-T242 WeakPolarHBondContact NE2-CB 3.12Å; H154-T242 PolarHBondContact NE2-OG1 3.03Å; H154-T242 PolarHBondContact O-N 3.49Å; E216-T242 HydrophobicContact CG-CG2 4.16Å; K217-T242 CarbonylContact O-C 3.54Å; K217-T242 VanDerWaalsContact O-CA 3.28Å; K217-T242 WeakPolarHBondContact O-CA 3.32Å; T218-T242 VanDerWaalsContact OG1-CG2 3.32Å; T218-T242 WeakPolarHBondContact OG1-CG2 3.18Å; T218-T242 PolarHBondContact OG1-OG1 2.78Å |
| 243 | H | 95.9 | Very high | 86.9 | Confident | 71 Ų | 71 | 56 Ų | 56 | 33% | 0.329 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 128.3 | 170.4 | -58 | -102 | 0 | 0 | 0 | 108.6 | F152 Y215 E216 K217 Q241 | F152-H243 CarbonylContact O-C 3.56Å; F152-H243 VanDerWaalsContact O-CA 3.3Å; F152-H243 WeakPolarHBondContact O-CA 3.4Å; Y215-H243 HydrophobicContact CE1-CB 4.4Å; E216-H243 CarbonylContact C-O 3.43Å; E216-H243 WeakPolarHBondContact CA-O 3.45Å; K217-H243 PolarHBondContact N-O 3.03Å; K217-H243 PolarHBondContact O-N 2.87Å; Q241-H243 PolarHBondContact NE2-NE2 3.13Å |
| 244 | A | 96.1 | Very high | 86.3 | Confident | 6 Ų | 6 | 51.3 Ų | 51.3 | 5% | 0.05 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 142.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y151 F152 Y215 E216 | Y151-A244 CarbonylContact C-O 3.48Å; Y151-A244 WeakPolarHBondContact CA-O 3.33Å; F152-A244 PolarHBondContact N-O 3.47Å; F152-A244 PolarHBondContact O-N 3.44Å; Y215-A244 CarbonylContact O-C 3.45Å; Y215-A244 VanDerWaalsContact O-CA 3.28Å; Y215-A244 WeakPolarHBondContact O-CA 3.36Å; E216-A244 HydrophobicContact CG-CB 4.3Å |
| 245 | A | 95.5 | Very high | 86.2 | Confident | 6 Ų | 6 | 47 Ų | 47 | 5% | 0.05 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 117.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | T149 V150 Y151 E214 Y215 | T149-A245 HydrophobicContact CG2-CB 4.04Å; V150-A245 WeakPolarHBondContact O-CA 3.49Å; Y151-A245 HydrophobicContact CD1-CB 3.77Å; Y151-A245 HydrophobicContact CE1-CB 3.73Å; E214-A245 PolarHBondContact N-O 3Å; Y215-A245 PolarHBondContact N-O 2.88Å; Y215-A245 PolarHBondContact O-N 2.91Å |
| 246 | W | 94.8 | Very high | 86.3 | Confident | 24 Ų | 24 | 44.9 Ų | 44.9 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 123.8 | 176.3 | -73.5 | 73.4 | 0 | 0 | 0 | 109.4 | T149 V150 F152 I166 C211 R212 V213 | T149-W246 CarbonylContact C-O 3.56Å; T149-W246 VanDerWaalsContact CA-O 3.22Å; T149-W246 WeakPolarHBondContact CA-O 3.36Å; V150-W246 PolarHBondContact N-O 3.14Å; V150-W246 PolarHBondContact O-N 3.18Å; F152-W246 AromaticContact CD2-CD1 3.62Å; F152-W246 AromaticContact CE2-CD1 3.75Å; F152-W246 HydrophobicContact CE2-CG 4.3Å; I166-W246 HydrophobicContact CB-CD2 4.28Å; I166-W246 HydrophobicContact CB-CE3 3.99Å; I166-W246 HydrophobicContact CB-CZ3 4.38Å; I166-W246 HydrophobicContact CD1-CB 3.43Å; I166-W246 VanDerWaalsContact CD1-CB 3.43Å; I166-W246 HydrophobicContact CD1-CD2 4.19Å; I166-W246 HydrophobicContact CD1-CE3 4.4Å; I166-W246 HydrophobicContact CD1-CG 3.8Å; I166-W246 HydrophobicContact CG1-CB 4.17Å; I166-W246 HydrophobicContact CG1-CD2 3.96Å; I166-W246 HydrophobicContact CG1-CE3 4.17Å; I166-W246 HydrophobicContact CG1-CG 3.97Å; C211-W246 HydrophobicContact CB-CE3 4.38Å; R212-W246 CarbonylContact O-C 3.57Å; R212-W246 WeakPolarHBondContact O-CA 3.32Å; V213-W246 HydrophobicContact CG2-CD2 3.92Å; V213-W246 HydrophobicContact CG2-CE3 4.11Å; V213-W246 HydrophobicContact CG2-CH2 3.65Å; V213-W246 HydrophobicContact CG2-CZ2 3.42Å; V213-W246 VanDerWaalsContact CG2-CZ2 3.42Å; V213-W246 HydrophobicContact CG2-CZ3 3.99Å |
| 247 | R | 92.7 | Very high | 86.6 | Confident | 80 Ų | 80 | 40.5 Ų | 40.5 | 30% | 0.302 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 129 | 172.7 | -173.2 | 175.5 | -178 | 175.9 | 1.9 | 110.4 | C211 R212 E214 | C211-R247 CarbonylContact C-O 3.51Å; C211-R247 WeakPolarHBondContact CA-O 3.44Å; R212-R247 PolarHBondContact N-O 3.47Å; R212-R247 PolarHBondContact O-N 3.43Å; E214-R247 VanDerWaalsContact CD-CB 3.44Å; E214-R247 HydrophobicContact CG-CB 3.65Å; E214-R247 WeakPolarHBondContact OE1-CD 3.3Å; E214-R247 IonicContact OE1-CZ 2.87Å; E214-R247 IonicContact OE1-NE 3.71Å; E214-R247 IonicContact OE1-NH1 2.72Å; E214-R247 PolarHBondContact OE1-NH1 2.98Å; E214-R247 WeakPolarHBondContact OE2-CD 3.28Å |
| 248 | C | 91.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 144.7 | -179.2 | -64.8 | 0 | 0 | 0 | 0 | 110.9 | T147 F148 N210 C211 | T147-C248 CarbonylContact C-O 3.59Å; T147-C248 VanDerWaalsContact CA-O 3.26Å; T147-C248 WeakPolarHBondContact CA-O 3.3Å; T147-C248 WeakPolarHBondContact CB-O 3.37Å; F148-C248 HydrophobicContact CD1-CB 4.03Å; F148-C248 HydrophobicContact CD2-CB 4.02Å; F148-C248 HydrophobicContact CE1-CB 3.47Å; F148-C248 VanDerWaalsContact CE1-CB 3.47Å; F148-C248 HydrophobicContact CE2-CB 3.46Å; F148-C248 VanDerWaalsContact CE2-CB 3.46Å; F148-C248 HydrophobicContact CG-CB 4.29Å; F148-C248 HydrophobicContact CZ-CB 3.17Å; F148-C248 PolarHBondContact N-O 2.89Å; F148-C248 PolarHBondContact O-N 2.86Å; N210-C248 CarbonylContact O-C 3.54Å; N210-C248 WeakPolarHBondContact O-CA 3.36Å; C211-C248 HydrophobicContact CB-CB 4.16Å; C211-C248 WeakPolarHBondContact CB-SG 3.12Å; C211-C248 WeakPolarHBondContact SG-CB 3.47Å; C211-C248 CovalentContact SG-SG 2.04Å; C211-C248 PolarHBondContact SG-SG 3.08Å |
| 249 | S | 89.3 | Confident | 87.1 | Confident | 53 Ų | 53 | 37.6 Ų | 37.6 | 37% | 0.371 | 19% | 0.187 | S | C | . | . | trans | -112.7 | 10.8 | -162.1 | -67.2 | 0 | 0 | 0 | 0 | 119.5 | G146 N210 | G146-S249 CarbonylContact O-C 3.55Å; N210-S249 PolarHBondContact O-N 3.03Å | ||
| 250 | K | 76.8 | Confident | 87.1 | Confident | 68 Ų | 68 | 35.8 Ų | 35.8 | 30% | 0.296 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 53.5 | 157.7 | -166.6 | -68.9 | 177.6 | -170.8 | 157.2 | 0 | 112.6 | D142 G146 F252 | D142-K250 IonicContact OD2-NZ 3.78Å; G146-K250 WeakPolarHBondContact O-CB 3.31Å; G146-K250 WeakPolarHBondContact O-CD 3.45Å; G146-K250 VanDerWaalsContact O-CG 3.27Å; G146-K250 WeakPolarHBondContact O-CG 3.4Å; K250-F252 VanDerWaalsContact C-CE2 3.46Å; K250-F252 VanDerWaalsContact N-CE2 3.26Å; K250-F252 WeakPolarHBondContact O-CE2 3.35Å; K250-F252 WeakPolarHBondContact O-CZ 3.14Å |
| 251 | P | 63.3 | Low | 87 | Confident | 121 Ų | 121 | 35.7 Ų | 35.7 | 79% | 0.786 | 18% | 0.18 | S | C | * | . | S | Bend | cis | -85.9 | 88.5 | -1.1 | 35.7 | -32.1 | 0 | 0 | 0 | 111.4 | ||
| 252 | F | 64.6 | Low | 86.6 | Confident | 36 Ų | 36 | 37.1 Ų | 37.1 | 16% | 0.158 | 19% | 0.189 | C | C | . | . | trans | -124.3 | 134.2 | 173.3 | -36.4 | -67.6 | 0 | 0 | 0 | 108.1 | N210 K250 | N210-F252 HydrophobicContact CB-CE1 4.41Å; N210-F252 HydrophobicContact CB-CE2 3.58Å; N210-F252 HydrophobicContact CB-CZ 3.3Å; N210-F252 VanDerWaalsContact CG-CZ 3.41Å; N210-F252 WeakPolarHBondContact ND2-CZ 3.36Å; K250-F252 VanDerWaalsContact C-CE2 3.46Å; K250-F252 VanDerWaalsContact N-CE2 3.26Å; K250-F252 WeakPolarHBondContact O-CE2 3.35Å; K250-F252 WeakPolarHBondContact O-CZ 3.14Å | ||
| 253 | K | 65.1 | Low | 86.1 | Confident | 165 Ų | 165 | 38 Ų | 38 | 72% | 0.717 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -104.2 | -28.8 | 175.7 | -65 | -179.5 | -177.3 | 173.9 | 0 | 112 | ||
| 254 | V | 77.6 | Confident | 85.5 | Confident | 12 Ų | 12 | 41.6 Ų | 41.6 | 7% | 0.073 | 22% | 0.216 | C | C | . | . | trans | -129 | 123.2 | -177.5 | -171.1 | 0 | 0 | 0 | 0 | 109.3 | P169 Q279 | P169-V254 HydrophobicContact CG-CB 4.04Å; P169-V254 HydrophobicContact CG-CG1 3.73Å; V254-Q279 VanDerWaalsContact CG2-CD 3.47Å; V254-Q279 HydrophobicContact CG2-CG 3.84Å | ||
| 255 | I | 86.8 | Confident | 84.8 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | trans | -121.5 | 154 | 168.3 | 60.9 | 172 | 0 | 0 | 0 | 108.1 | W120 F148 V150 I166 | W120-I255 HydrophobicContact CH2-CD1 3.89Å; W120-I255 HydrophobicContact CH2-CG1 4.18Å; W120-I255 HydrophobicContact CZ2-CD1 3.66Å; W120-I255 HydrophobicContact CZ2-CG1 3.61Å; F148-I255 HydrophobicContact CE2-CD1 3.77Å; F148-I255 HydrophobicContact CZ-CD1 4Å; F148-I255 HydrophobicContact CZ-CG2 4.48Å; V150-I255 HydrophobicContact CG2-CD1 4.41Å; I166-I255 HydrophobicContact CD1-CD1 4.26Å; I166-I255 HydrophobicContact CG2-CB 3.82Å; I166-I255 HydrophobicContact CG2-CD1 3.99Å; I166-I255 HydrophobicContact CG2-CG1 4.42Å; I166-I255 HydrophobicContact CG2-CG2 4.15Å | ||
| 256 | C | 89.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 147.2 | 173.6 | -55.7 | 0 | 0 | 0 | 0 | 109.9 | I166 V167 P169 K271 V272 C273 | I166-C256 WeakPolarHBondContact CA-O 3.43Å; V167-C256 HydrophobicContact CG2-CB 3.89Å; V167-C256 PolarHBondContact N-O 3Å; V167-C256 PolarHBondContact O-N 3.4Å; P169-C256 VanDerWaalsContact CA-SG 3.53Å; C256-K271 HydrophobicContact CB-CD 4.12Å; C256-K271 HydrophobicContact CB-CG 3.77Å; C256-V272 CarbonylContact C-O 3.5Å; C256-V272 WeakPolarHBondContact CA-O 3.34Å; C256-V272 WeakPolarHBondContact CB-O 3.48Å; C256-C273 HydrophobicContact CB-CB 4.08Å; C256-C273 WeakPolarHBondContact CB-SG 3.45Å; C256-C273 WeakPolarHBondContact SG-CB 3.29Å; C256-C273 CovalentContact SG-SG 2.03Å; C256-C273 PolarHBondContact SG-SG 3.06Å |
| 257 | I | 92.5 | Very high | 83.9 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 123.1 | 172.3 | -52.1 | 167.7 | 0 | 0 | 0 | 106.3 | W120 F123 F152 V164 S165 I259 K271 V272 | W120-I257 HydrophobicContact CH2-CD1 4.05Å; W120-I257 HydrophobicContact CH2-CG1 4.19Å; W120-I257 HydrophobicContact CZ3-CD1 3.66Å; W120-I257 HydrophobicContact CZ3-CG1 4.31Å; F123-I257 HydrophobicContact CB-CD1 4.07Å; F123-I257 HydrophobicContact CD1-CD1 3.79Å; F123-I257 HydrophobicContact CD2-CD1 3.42Å; F123-I257 VanDerWaalsContact CD2-CD1 3.42Å; F123-I257 HydrophobicContact CE1-CD1 4.03Å; F123-I257 HydrophobicContact CE1-CG2 4.3Å; F123-I257 HydrophobicContact CE2-CD1 3.69Å; F123-I257 HydrophobicContact CG-CD1 3.46Å; F123-I257 VanDerWaalsContact CG-CD1 3.46Å; F123-I257 HydrophobicContact CZ-CD1 3.98Å; F123-I257 HydrophobicContact CZ-CG2 4.4Å; F152-I257 HydrophobicContact CE1-CD1 4.17Å; F152-I257 HydrophobicContact CE1-CG1 4.32Å; F152-I257 HydrophobicContact CE1-CG2 3.98Å; F152-I257 HydrophobicContact CZ-CD1 4.5Å; F152-I257 HydrophobicContact CZ-CG1 4.19Å; F152-I257 HydrophobicContact CZ-CG2 4.09Å; V164-I257 HydrophobicContact CG1-CG2 3.99Å; S165-I257 WeakPolarHBondContact O-CA 3.46Å; I257-I259 HydrophobicContact CG2-CD1 4.4Å; I257-I259 HydrophobicContact CG2-CG1 4.07Å; I257-K271 CarbonylContact O-C 3.54Å; I257-K271 WeakPolarHBondContact O-CA 3.05Å; I257-V272 PolarHBondContact N-O 3Å; I257-V272 PolarHBondContact O-N 3.45Å |
| 258 | F | 93 | Very high | 83.7 | Confident | 22 Ų | 22 | 52 Ų | 52 | 10% | 0.096 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 125.6 | 174.4 | -169.7 | -96.2 | 0 | 0 | 0 | 108.8 | V164 S165 V167 V269 Q270 K271 | V164-F258 WeakPolarHBondContact CA-O 3.11Å; S165-F258 PolarHBondContact N-O 2.89Å; S165-F258 PolarHBondContact O-N 3.3Å; V167-F258 HydrophobicContact CB-CB 4.34Å; V167-F258 HydrophobicContact CG1-CB 3.61Å; V167-F258 HydrophobicContact CG1-CG 4.27Å; V167-F258 HydrophobicContact CG2-CB 3.77Å; F258-V269 HydrophobicContact CD2-CG1 4.49Å; F258-V269 HydrophobicContact CE1-CG1 4.02Å; F258-V269 HydrophobicContact CE2-CG1 3.51Å; F258-V269 HydrophobicContact CZ-CG1 3.22Å; F258-Q270 WeakPolarHBondContact CA-O 3.07Å; F258-K271 HydrophobicContact CD2-CB 4.2Å |
| 259 | I | 92.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 121 | 179.7 | -58.6 | 172.3 | 0 | 0 | 0 | 106.4 | F123 F125 L134 V136 S163 V164 I257 V269 Q270 | F123-I259 HydrophobicContact CE1-CD1 3.93Å; F123-I259 HydrophobicContact CZ-CD1 3.77Å; F125-I259 HydrophobicContact CB-CD1 4.05Å; F125-I259 HydrophobicContact CD1-CD1 3.63Å; F125-I259 HydrophobicContact CD1-CG2 4.41Å; F125-I259 HydrophobicContact CD2-CD1 4.3Å; F125-I259 HydrophobicContact CE1-CD1 4.07Å; F125-I259 HydrophobicContact CE1-CG2 4.05Å; F125-I259 HydrophobicContact CG-CD1 3.74Å; L134-I259 HydrophobicContact CD2-CG2 4.1Å; V136-I259 HydrophobicContact CB-CD1 4.45Å; V136-I259 HydrophobicContact CG1-CD1 4.47Å; V136-I259 HydrophobicContact CG2-CD1 4.33Å; V136-I259 HydrophobicContact CG2-CG2 4.48Å; S163-I259 WeakPolarHBondContact O-CA 3.14Å; V164-I259 HydrophobicContact CG1-CG1 4.38Å; V164-I259 HydrophobicContact CG2-CG1 4.45Å; I257-I259 HydrophobicContact CG2-CD1 4.4Å; I257-I259 HydrophobicContact CG2-CG1 4.07Å; I259-V269 CarbonylContact O-C 3.54Å; I259-V269 WeakPolarHBondContact O-CA 3.28Å; I259-Q270 PolarHBondContact N-O 2.98Å; I259-Q270 PolarHBondContact O-N 3.43Å |
| 260 | S | 91 | Very high | 83.8 | Confident | 31 Ų | 31 | 54.2 Ų | 54.2 | 22% | 0.217 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 141.6 | 169.8 | 73.6 | 0 | 0 | 0 | 0 | 110.3 | V162 S163 L268 | V162-S260 WeakPolarHBondContact CA-O 3.44Å; S163-S260 PolarHBondContact N-O 2.82Å; S163-S260 PolarHBondContact O-N 2.94Å; S163-S260 PolarHBondContact OG-OG 3.5Å; S260-L268 CarbonylContact C-O 3.49Å; S260-L268 WeakPolarHBondContact CA-O 3.49Å |
| 261 | F | 88.6 | Confident | 84.5 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 129.3 | 171.5 | 169.4 | -105.2 | 0 | 0 | 0 | 109.6 | F132 S158 N161 V162 K267 L268 | F132-F261 HydrophobicContact CB-CE1 4.32Å; F132-F261 HydrophobicContact CB-CZ 4.31Å; F132-F261 HydrophobicContact CD1-CD1 4.08Å; F132-F261 AromaticContact CD1-CE1 3.67Å; F132-F261 HydrophobicContact CD1-CE1 3.67Å; F132-F261 HydrophobicContact CD1-CZ 4.21Å; F132-F261 HydrophobicContact CD2-CD1 4.24Å; F132-F261 HydrophobicContact CD2-CD2 4.37Å; F132-F261 AromaticContact CD2-CE1 3.53Å; F132-F261 HydrophobicContact CD2-CE1 3.53Å; F132-F261 AromaticContact CD2-CE2 3.68Å; F132-F261 HydrophobicContact CD2-CE2 3.68Å; F132-F261 AromaticContact CD2-CZ 3.17Å; F132-F261 HydrophobicContact CD2-CZ 3.17Å; F132-F261 AromaticContact CE1-CD1 3.56Å; F132-F261 HydrophobicContact CE1-CD1 3.56Å; F132-F261 AromaticContact CE1-CE1 3.63Å; F132-F261 HydrophobicContact CE1-CE1 3.63Å; F132-F261 HydrophobicContact CE1-CG 4.11Å; F132-F261 HydrophobicContact CE1-CZ 4.25Å; F132-F261 AromaticContact CE2-CD1 3.7Å; F132-F261 HydrophobicContact CE2-CD1 3.7Å; F132-F261 AromaticContact CE2-CD2 3.52Å; F132-F261 HydrophobicContact CE2-CD2 3.52Å; F132-F261 AromaticContact CE2-CE1 3.44Å; F132-F261 HydrophobicContact CE2-CE1 3.44Å; F132-F261 VanDerWaalsContact CE2-CE1 3.44Å; F132-F261 AromaticContact CE2-CE2 3.25Å; F132-F261 HydrophobicContact CE2-CE2 3.25Å; F132-F261 AromaticContact CE2-CG 3.69Å; F132-F261 HydrophobicContact CE2-CG 3.69Å; F132-F261 AromaticContact CE2-CZ 3.17Å; F132-F261 HydrophobicContact CE2-CZ 3.17Å; F132-F261 HydrophobicContact CG-CD1 4.36Å; F132-F261 AromaticContact CG-CE1 3.58Å; F132-F261 HydrophobicContact CG-CE1 3.58Å; F132-F261 AromaticContact CG-CZ 3.66Å; F132-F261 HydrophobicContact CG-CZ 3.66Å; F132-F261 HydrophobicContact CZ-CB 4.03Å; F132-F261 AromaticContact CZ-CD1 3.29Å; F132-F261 HydrophobicContact CZ-CD1 3.29Å; F132-F261 AromaticContact CZ-CD2 3.73Å; F132-F261 HydrophobicContact CZ-CD2 3.73Å; F132-F261 AromaticContact CZ-CE1 3.46Å; F132-F261 HydrophobicContact CZ-CE1 3.46Å; F132-F261 VanDerWaalsContact CZ-CE1 3.46Å; F132-F261 AromaticContact CZ-CE2 3.88Å; F132-F261 HydrophobicContact CZ-CE2 3.88Å; F132-F261 AromaticContact CZ-CG 3.38Å; F132-F261 HydrophobicContact CZ-CG 3.38Å; F132-F261 AromaticContact CZ-CZ 3.73Å; F132-F261 HydrophobicContact CZ-CZ 3.73Å; S158-F261 VanDerWaalsContact OG-CZ 3.25Å; S158-F261 WeakPolarHBondContact OG-CZ 3.35Å; N161-F261 WeakPolarHBondContact O-CA 3.33Å; V162-F261 HydrophobicContact CG2-CD2 3.53Å; V162-F261 HydrophobicContact CG2-CE2 4.1Å; F261-K267 WeakPolarHBondContact O-CA 3.39Å; F261-L268 HydrophobicContact CB-CB 4.22Å; F261-L268 PolarHBondContact N-O 3.01Å; F261-L268 PolarHBondContact O-N 3.33Å |
| 262 | L | 86.9 | Confident | 85.8 | Confident | 76 Ų | 76 | 49.7 Ų | 49.7 | 40% | 0.398 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 113.9 | 178 | -177.8 | 59.5 | 0 | 0 | 0 | 109.2 | G160 N161 K267 | G160-L262 CarbonylContact C-O 3.52Å; G160-L262 WeakPolarHBondContact CA-O 3.38Å; N161-L262 PolarHBondContact N-O 3.22Å; N161-L262 PolarHBondContact O-N 3.04Å; L262-K267 HydrophobicContact CD1-CD 3.79Å; L262-K267 HydrophobicContact CD1-CG 3.7Å |
| 263 | S | 84.6 | Confident | 87 | Confident | 22 Ų | 22 | 49.4 Ų | 49.4 | 15% | 0.154 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 178.6 | 170.6 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | L159 Y266 | L159-S263 VanDerWaalsContact O-CB 3.31Å; L159-S263 WeakPolarHBondContact O-CB 3.42Å; L159-S263 PolarHBondContact O-OG 3.4Å; S263-Y266 PolarHBondContact N-O 2.97Å |
| 264 | I | 82.1 | Confident | 87.8 | Confident | 146 Ų | 146 | 43.8 Ų | 43.8 | 75% | 0.749 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -66.7 | -43.8 | 177.2 | -58.2 | 169.4 | 0 | 0 | 0 | 109.9 | ||
| 265 | D | 82.7 | Confident | 87.9 | Confident | 85 Ų | 85 | 43.7 Ų | 43.7 | 46% | 0.455 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -97.9 | -16.9 | -172.6 | -65 | -24.5 | 0 | 0 | 0 | 113.3 | K131 | K131-D265 WeakPolarHBondContact CD-OD2 3.48Å; K131-D265 IonicContact NZ-OD2 3.71Å; K131-D265 PolarHBondContact NZ-OD2 2.91Å |
| 266 | Y | 81.8 | Confident | 87.2 | Confident | 84 Ų | 84 | 49.7 Ų | 49.7 | 33% | 0.329 | 25% | 0.248 | S | C | . | . | trans | -142.6 | 140.3 | -170.9 | -66.3 | -77.6 | 0 | 0 | 0 | 111.7 | T129 K131 F132 S263 | T129-Y266 HydrophobicContact CG2-CD1 4.19Å; T129-Y266 HydrophobicContact CG2-CE1 3.97Å; T129-Y266 VanDerWaalsContact OG1-CE2 3.32Å; T129-Y266 WeakPolarHBondContact OG1-CE2 3.35Å; K131-Y266 HydrophobicContact CB-CE2 4.36Å; F132-Y266 HydrophobicContact CB-CD2 4.31Å; S263-Y266 PolarHBondContact N-O 2.97Å | ||
| 267 | K | 88.8 | Confident | 86 | Confident | 125 Ų | 125 | 54.8 Ų | 54.8 | 54% | 0.543 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 138.4 | 170.2 | -53.6 | -171.2 | -178.7 | 176.6 | 0 | 108.7 | F175 F261 L262 | F175-K267 HydrophobicContact CD1-CB 3.94Å; F175-K267 HydrophobicContact CE1-CB 3.63Å; F261-K267 WeakPolarHBondContact O-CA 3.39Å; L262-K267 HydrophobicContact CD1-CD 3.79Å; L262-K267 HydrophobicContact CD1-CG 3.7Å |
| 268 | L | 87.5 | Confident | 84.4 | Confident | 40 Ų | 40 | 62.6 Ų | 62.6 | 21% | 0.209 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 132.8 | 178.8 | 172.7 | 78 | 0 | 0 | 0 | 108.7 | F125 V127 S260 F261 | F125-L268 HydrophobicContact CE1-CD2 3.98Å; F125-L268 HydrophobicContact CZ-CD2 3.9Å; V127-L268 HydrophobicContact CB-CD2 4.38Å; V127-L268 HydrophobicContact CG2-CD2 3.85Å; S260-L268 CarbonylContact C-O 3.49Å; S260-L268 WeakPolarHBondContact CA-O 3.49Å; F261-L268 HydrophobicContact CB-CB 4.22Å; F261-L268 PolarHBondContact N-O 3.01Å; F261-L268 PolarHBondContact O-N 3.33Å |
| 269 | V | 91.4 | Very high | 82.6 | Confident | 22 Ų | 22 | 67.1 Ų | 67.1 | 13% | 0.133 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 126 | 169.1 | -175.8 | 0 | 0 | 0 | 0 | 107.7 | V173 F175 F258 I259 | V173-V269 HydrophobicContact CG1-CB 4.23Å; V173-V269 HydrophobicContact CG1-CG1 3.74Å; F175-V269 HydrophobicContact CD1-CB 4.43Å; F175-V269 HydrophobicContact CD1-CG2 3.47Å; F175-V269 VanDerWaalsContact CD1-CG2 3.47Å; F175-V269 HydrophobicContact CE1-CB 4.27Å; F175-V269 HydrophobicContact CE1-CG2 3.67Å; F175-V269 HydrophobicContact CG-CG2 4.08Å; F175-V269 HydrophobicContact CZ-CG2 4.42Å; F258-V269 HydrophobicContact CD2-CG1 4.49Å; F258-V269 HydrophobicContact CE1-CG1 4.02Å; F258-V269 HydrophobicContact CE2-CG1 3.51Å; F258-V269 HydrophobicContact CZ-CG1 3.22Å; I259-V269 CarbonylContact O-C 3.54Å; I259-V269 WeakPolarHBondContact O-CA 3.28Å |
| 270 | Q | 91.4 | Very high | 80.7 | Confident | 79 Ų | 79 | 69 Ų | 69 | 37% | 0.369 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 126 | -179.5 | -176.1 | 66 | 65.3 | 0 | 0 | 109.9 | F125 F258 I259 V272 | F125-Q270 HydrophobicContact CE2-CB 4.47Å; F125-Q270 HydrophobicContact CE2-CG 4.16Å; F125-Q270 HydrophobicContact CZ-CB 4.39Å; F258-Q270 WeakPolarHBondContact CA-O 3.07Å; I259-Q270 PolarHBondContact N-O 2.98Å; I259-Q270 PolarHBondContact O-N 3.43Å; Q270-V272 HydrophobicContact CG-CG2 3.79Å |
| 271 | K | 91.9 | Very high | 78.6 | Confident | 51 Ų | 51 | 77 Ų | 77 | 22% | 0.222 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 130.1 | 165.3 | -174.7 | 179.2 | 68.7 | 175.1 | 0 | 109 | V167 P169 K171 V173 C256 I257 F258 | V167-K271 HydrophobicContact CG2-CD 4.33Å; V167-K271 HydrophobicContact CG2-CG 4.42Å; P169-K271 PolarHBondContact O-NZ 3.37Å; K171-K271 WeakPolarHBondContact O-CD 3.37Å; K171-K271 WeakPolarHBondContact O-CE 3.42Å; K171-K271 PolarHBondContact O-NZ 3.43Å; V173-K271 HydrophobicContact CG2-CB 3.45Å; V173-K271 VanDerWaalsContact CG2-CB 3.45Å; V173-K271 HydrophobicContact CG2-CD 4.31Å; V173-K271 HydrophobicContact CG2-CG 4.49Å; C256-K271 HydrophobicContact CB-CD 4.12Å; C256-K271 HydrophobicContact CB-CG 3.77Å; I257-K271 CarbonylContact O-C 3.54Å; I257-K271 WeakPolarHBondContact O-CA 3.05Å; F258-K271 HydrophobicContact CD2-CB 4.2Å |
| 272 | V | 90.1 | Very high | 76.4 | Confident | 43 Ų | 43 | 86.5 Ų | 86.5 | 26% | 0.261 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 126.2 | 175.7 | -174.3 | 0 | 0 | 0 | 0 | 108.4 | F123 C256 I257 Q270 P274 | F123-V272 HydrophobicContact CE2-CB 4.25Å; F123-V272 HydrophobicContact CE2-CG1 4.14Å; F123-V272 HydrophobicContact CE2-CG2 4.28Å; F123-V272 HydrophobicContact CZ-CG2 4.49Å; C256-V272 CarbonylContact C-O 3.5Å; C256-V272 WeakPolarHBondContact CA-O 3.34Å; C256-V272 WeakPolarHBondContact CB-O 3.48Å; I257-V272 PolarHBondContact N-O 3Å; I257-V272 PolarHBondContact O-N 3.45Å; Q270-V272 HydrophobicContact CG-CG2 3.79Å; V272-P274 HydrophobicContact CG1-CG 4.36Å; V272-P274 WeakPolarHBondContact O-CD 3.43Å |
| 273 | C | 90 | Very high | 74.4 | Confident | 30 Ų | 30 | 86.3 Ų | 86.3 | 20% | 0.203 | 42% | 0.417 | C | S | . | . | trans | -120.4 | 86.8 | -179.8 | -56.1 | 0 | 0 | 0 | 0 | 109.3 | C256 D275 Y276 | C256-C273 HydrophobicContact CB-CB 4.08Å; C256-C273 WeakPolarHBondContact CB-SG 3.45Å; C256-C273 WeakPolarHBondContact SG-CB 3.29Å; C256-C273 CovalentContact SG-SG 2.03Å; C256-C273 PolarHBondContact SG-SG 3.06Å; C273-D275 VanDerWaalsContact C-N 3.25Å; C273-D275 PolarHBondContact O-N 3.38Å; C273-Y276 HydrophobicContact CB-CD2 4.31Å; C273-Y276 HydrophobicContact CB-CG 4.37Å; C273-Y276 WeakPolarHBondContact O-CB 3.38Å; C273-Y276 PolarHBondContact O-N 3.11Å | ||
| 274 | P | 82.8 | Confident | 72.3 | Confident | 47 Ų | 47 | 95.6 Ų | 95.6 | 31% | 0.305 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -30.3 | -168 | -26.2 | 36.3 | 0 | 0 | 0 | 114.6 | W120 V272 | W120-P274 HydrophobicContact CB-CB 3.82Å; W120-P274 HydrophobicContact CD2-CB 3.64Å; W120-P274 HydrophobicContact CD2-CG 3.61Å; W120-P274 HydrophobicContact CE3-CB 4.29Å; W120-P274 HydrophobicContact CE3-CG 3.82Å; W120-P274 HydrophobicContact CG-CB 3.4Å; W120-P274 VanDerWaalsContact CG-CB 3.4Å; W120-P274 HydrophobicContact CG-CG 3.96Å; W120-P274 HydrophobicContact CH2-CG 4.42Å; W120-P274 HydrophobicContact CZ2-CG 4.24Å; W120-P274 HydrophobicContact CZ3-CG 4.23Å; V272-P274 HydrophobicContact CG1-CG 4.36Å; V272-P274 WeakPolarHBondContact O-CD 3.43Å |
| 275 | D | 78.6 | Confident | 70.3 | Confident | 9 Ų | 9 | 97.9 Ų | 97.9 | 5% | 0.048 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 15.4 | -178.3 | -69.2 | -35.6 | 0 | 0 | 0 | 113.6 | G119 W120 C273 N277 F278 | G119-D275 WeakPolarHBondContact CA-OD1 3.04Å; G119-D275 PolarHBondContact N-OD1 2.84Å; W120-D275 PolarHBondContact NE1-OD2 2.87Å; C273-D275 VanDerWaalsContact C-N 3.25Å; C273-D275 PolarHBondContact O-N 3.38Å; D275-N277 VanDerWaalsContact C-N 3.31Å; D275-N277 PolarHBondContact O-N 3.44Å; D275-F278 HydrophobicContact CB-CD2 3.89Å; D275-F278 PolarHBondContact O-N 3.01Å; D275-F278 WeakPolarHBondContact OD1-CE2 3.36Å |
| 276 | Y | 73.1 | Confident | 68.1 | Low | 128 Ų | 128 | 101 Ų | 101 | 50% | 0.502 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -59.4 | -40.5 | -176 | -169.4 | -98.2 | 0 | 0 | 0 | 112.9 | P169 C273 F278 Q279 | P169-Y276 HydrophobicContact CB-CD2 4.34Å; P169-Y276 HydrophobicContact CB-CE2 4.2Å; C273-Y276 HydrophobicContact CB-CD2 4.31Å; C273-Y276 HydrophobicContact CB-CG 4.37Å; C273-Y276 WeakPolarHBondContact O-CB 3.38Å; C273-Y276 PolarHBondContact O-N 3.11Å; Y276-F278 PolarHBondContact O-N 3.41Å; Y276-Q279 PolarHBondContact O-N 3.24Å |
| 277 | N | 63.9 | Low | 67.4 | Low | 107 Ų | 107 | 101.9 Ų | 101.9 | 57% | 0.572 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -69.2 | -12.5 | -178.8 | -70.2 | -24 | 0 | 0 | 0 | 114.4 | D275 Q279 | D275-N277 VanDerWaalsContact C-N 3.31Å; D275-N277 PolarHBondContact O-N 3.44Å; N277-Q279 PolarHBondContact O-N 2.71Å |
| 278 | F | 58.9 | Low | 66.3 | Low | 163 Ų | 163 | 100.6 Ų | 100.6 | 72% | 0.715 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -75.9 | -7 | 174.8 | -71.3 | -77.9 | 0 | 0 | 0 | 113.2 | D275 Y276 | D275-F278 HydrophobicContact CB-CD2 3.89Å; D275-F278 PolarHBondContact O-N 3.01Å; D275-F278 WeakPolarHBondContact OD1-CE2 3.36Å; Y276-F278 PolarHBondContact O-N 3.41Å |
| 279 | Q | 56.7 | Low | 65.1 | Low | 118 Ų | 118 | 104 Ų | 104 | 55% | 0.551 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | -21.3 | 176.9 | -70.5 | -167.6 | -28 | 0 | 0 | 114.1 | V254 Y276 N277 E281 | V254-Q279 VanDerWaalsContact CG2-CD 3.47Å; V254-Q279 HydrophobicContact CG2-CG 3.84Å; Y276-Q279 PolarHBondContact O-N 3.24Å; N277-Q279 PolarHBondContact O-N 2.71Å; Q279-E281 PolarHBondContact O-N 3.32Å |
| 280 | S | 52 | Low | 63.6 | Low | 39 Ų | 39 | 108.8 Ų | 108.8 | 27% | 0.273 | 56% | 0.556 | S | S | . | * | trans | -79.9 | 111.6 | 175.2 | 65 | 0 | 0 | 0 | 0 | 109.3 | R282 | S280-R282 WeakPolarHBondContact CB-O 3.34Å; S280-R282 CarbonylContact O-C 3.59Å; S280-R282 PolarHBondContact O-N 3.45Å; S280-R282 PolarHBondContact OG-O 3.48Å | ||
| 281 | E | 47.3 | Very low | 61.8 | Low | 200 Ų | 200 | 110.7 Ų | 110.7 | 94% | 0.935 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -59.7 | 5.9 | 168.5 | -72.4 | -177.3 | 158 | 0 | 0 | 113.5 | Q279 | Q279-E281 PolarHBondContact O-N 3.32Š|
| 282 | R | 41.8 | Very low | 59.8 | Low | 202 Ų | 202 | 114.7 Ų | 114.7 | 76% | 0.762 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -137.1 | 102.8 | 167.1 | -61.5 | -175.5 | -174.5 | 178.4 | 1.5 | 108.4 | S280 Y284 | S280-R282 WeakPolarHBondContact CB-O 3.34Å; S280-R282 CarbonylContact O-C 3.59Å; S280-R282 PolarHBondContact O-N 3.45Å; S280-R282 PolarHBondContact OG-O 3.48Å; R282-Y284 PolarHBondContact O-N 3.3Å |
| 283 | P | 44.4 | Very low | 57.6 | Low | 73 Ų | 73 | 119.8 Ų | 119.8 | 47% | 0.474 | 61% | 0.614 | S | S | . | * | trans | -66.5 | 119.6 | 165.6 | 25.8 | -29.5 | 0 | 0 | 0 | 107.5 | F285 | P283-F285 HydrophobicContact CG-CD2 4.36Å; P283-F285 HydrophobicContact CG-CE2 3.96Å; P283-F285 PolarHBondContact O-N 3.49Å | ||
| 284 | Y | 41 | Very low | 55.2 | Low | 216 Ų | 216 | 126.7 Ų | 126.7 | 85% | 0.847 | 65% | 0.646 | S | S | * | * | trans | -66 | 106.9 | 164.8 | -74.5 | -84.9 | 0 | 0 | 0 | 107 | R282 | R282-Y284 PolarHBondContact O-N 3.3Š| ||
| 285 | F | 40.3 | Very low | 52.9 | Low | 194 Ų | 194 | 133.3 Ų | 133.3 | 85% | 0.851 | 67% | 0.674 | S | S | * | * | trans | -78.6 | 118.3 | 164.3 | -81.1 | -87.4 | 0 | 0 | 0 | 107.7 | P283 | P283-F285 HydrophobicContact CG-CD2 4.36Å; P283-F285 HydrophobicContact CG-CE2 3.96Å; P283-F285 PolarHBondContact O-N 3.49Å | ||
| 286 | G | 36.3 | Very low | 50.5 | Low | 151 Ų | 151 | 144.6 Ų | 144.6 | 100% | 1.557 | 73% | 0.731 | S | S | * | * | trans | 86.6 | 0 | 162.8 | 0 | 0 | 0 | 0 | 0 | 114.7 |
Retrieved 286 of 286 residues in 405.3 ms
(Link to these results)