| 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 | 32.2 | Very low | 33.4 | Very low | 211 Ų | 211 | 101.5 Ų | 101.5 | 100% | 1.039 | 59% | 0.591 | S | S | * | * | 0 | 155.3 | 0 | -93.3 | 160.8 | 57 | 0 | 0 | 110.2 | Y518 | M1-Y518 HydrophobicContact CE-CE1 4.4Å; M1-Y518 HydrophobicContact SD-CD1 4.44Å; M1-Y518 HydrophobicContact SD-CE1 3.76Å | |||
| 2 | S | 30.4 | Very low | 33.4 | Very low | 91 Ų | 91 | 100.1 Ų | 100.1 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | trans | -83.9 | 167.9 | -145.3 | 73.5 | 0 | 0 | 0 | 0 | 117.3 | S4 G5 | S2-S4 PolarHBondContact O-N 3.01Å; S2-G5 PolarHBondContact O-N 3.03Å; S2-G5 VanDerWaalsContact O-N 3.08Å | ||
| 3 | V | 30.4 | Very low | 33.5 | Very low | 112 Ų | 112 | 100.6 Ų | 100.6 | 68% | 0.679 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -14.7 | -28.9 | 157.8 | 179.6 | 0 | 0 | 0 | 0 | 117.6 | G5 F6 L7 | V3-G5 VanDerWaalsContact C-N 3.33Å; V3-G5 PolarHBondContact O-N 2.04Å; V3-F6 PolarHBondContact O-N 3.48Å; V3-L7 HydrophobicContact CG1-CD1 4.45Å; V3-L7 PolarHBondContact O-N 2.94Å |
| 4 | S | 27.9 | Very low | 33.4 | Very low | 84 Ų | 84 | 102.4 Ų | 102.4 | 59% | 0.587 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -52.5 | -42.7 | 171.4 | 172 | 0 | 0 | 0 | 0 | 113.8 | S2 F6 L7 A8 | S2-S4 PolarHBondContact O-N 3.01Å; S4-F6 PolarHBondContact O-N 3.23Å; S4-L7 PolarHBondContact O-N 2.74Å; S4-A8 VanDerWaalsContact O-CB 3.28Å; S4-A8 WeakPolarHBondContact O-CB 3.4Å; S4-A8 PolarHBondContact O-N 3.26Å |
| 5 | G | 32.6 | Very low | 33.2 | Very low | 46 Ų | 46 | 103.6 Ų | 103.6 | 47% | 0.474 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.6 | -37.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S2 V3 L9 | S2-G5 PolarHBondContact O-N 3.03Å; S2-G5 VanDerWaalsContact O-N 3.08Å; V3-G5 VanDerWaalsContact C-N 3.33Å; V3-G5 PolarHBondContact O-N 2.04Å; G5-L9 PolarHBondContact O-N 3.11Å; G5-L9 VanDerWaalsContact O-N 3.09Å |
| 6 | F | 40.1 | Very low | 33 | Very low | 101 Ų | 101 | 104.8 Ų | 104.8 | 44% | 0.443 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -74.3 | -38.6 | 179 | -167.8 | -102.8 | 0 | 0 | 0 | 111.6 | V3 S4 L9 L10 F380 | V3-F6 PolarHBondContact O-N 3.48Å; S4-F6 PolarHBondContact O-N 3.23Å; F6-L9 PolarHBondContact O-N 2.93Å; F6-L10 HydrophobicContact CD1-CD1 3.68Å; F6-L10 HydrophobicContact CE1-CD1 3.32Å; F6-L10 HydrophobicContact CG-CD1 4.46Å; F6-L10 HydrophobicContact CZ-CD1 3.84Å; F6-L10 PolarHBondContact O-N 3.13Å; F6-F380 HydrophobicContact CE2-CE1 4.18Å; F6-F380 HydrophobicContact CE2-CZ 4.07Å |
| 7 | L | 34.7 | Very low | 32.7 | Very low | 99 Ų | 99 | 103.3 Ų | 103.3 | 52% | 0.518 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -65.9 | -38.8 | 172.5 | -118.3 | 89.8 | 0 | 0 | 0 | 111.9 | V3 S4 L9 L10 L11 | V3-L7 HydrophobicContact CG1-CD1 4.45Å; V3-L7 PolarHBondContact O-N 2.94Å; S4-L7 PolarHBondContact O-N 2.74Å; L7-L9 VanDerWaalsContact C-N 3.35Å; L7-L10 PolarHBondContact O-N 3.39Å; L7-L11 HydrophobicContact CD2-CD1 4.36Å; L7-L11 VanDerWaalsContact O-CB 3.24Å; L7-L11 WeakPolarHBondContact O-CB 2.98Å; L7-L11 WeakPolarHBondContact O-CD1 3.05Å; L7-L11 VanDerWaalsContact O-CG 3.24Å; L7-L11 WeakPolarHBondContact O-CG 3.49Å; L7-L11 PolarHBondContact O-N 3.11Å |
| 8 | A | 31.3 | Very low | 32.6 | Very low | 57 Ų | 57 | 107.7 Ų | 107.7 | 47% | 0.471 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -65.2 | -37.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S4 L11 A12 | S4-A8 VanDerWaalsContact O-CB 3.28Å; S4-A8 WeakPolarHBondContact O-CB 3.4Å; S4-A8 PolarHBondContact O-N 3.26Å; A8-L11 PolarHBondContact O-N 3.15Å; A8-A12 VanDerWaalsContact O-CB 3.26Å; A8-A12 WeakPolarHBondContact O-CB 3.38Å; A8-A12 PolarHBondContact O-N 3.42Å |
| 9 | L | 38.3 | Very low | 32.2 | Very low | 109 Ų | 109 | 111.3 Ų | 111.3 | 57% | 0.571 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -70.7 | -38.9 | 175.8 | -142.7 | 89.4 | 0 | 0 | 0 | 112.1 | G5 F6 L7 | G5-L9 PolarHBondContact O-N 3.11Å; G5-L9 VanDerWaalsContact O-N 3.09Å; F6-L9 PolarHBondContact O-N 2.93Å; L7-L9 VanDerWaalsContact C-N 3.35Å |
| 10 | L | 36.3 | Very low | 31.8 | Very low | 99 Ų | 99 | 113.7 Ų | 113.7 | 52% | 0.518 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -67.8 | -35.8 | 173.5 | -106.6 | 129.3 | 0 | 0 | 0 | 112.6 | F6 L7 | F6-L10 HydrophobicContact CD1-CD1 3.68Å; F6-L10 HydrophobicContact CE1-CD1 3.32Å; F6-L10 HydrophobicContact CG-CD1 4.46Å; F6-L10 HydrophobicContact CZ-CD1 3.84Å; F6-L10 PolarHBondContact O-N 3.13Å; L7-L10 PolarHBondContact O-N 3.39Å |
| 11 | L | 32.9 | Very low | 31.5 | Very low | 108 Ų | 108 | 113.2 Ų | 113.2 | 57% | 0.565 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -76.4 | -29.4 | 176.8 | -76.5 | 162.3 | 0 | 0 | 0 | 112.6 | L7 A8 L13 L14 | L7-L11 HydrophobicContact CD2-CD1 4.36Å; L7-L11 VanDerWaalsContact O-CB 3.24Å; L7-L11 WeakPolarHBondContact O-CB 2.98Å; L7-L11 WeakPolarHBondContact O-CD1 3.05Å; L7-L11 VanDerWaalsContact O-CG 3.24Å; L7-L11 WeakPolarHBondContact O-CG 3.49Å; L7-L11 PolarHBondContact O-N 3.11Å; A8-L11 PolarHBondContact O-N 3.15Å; L11-L13 PolarHBondContact O-N 2.94Å; L11-L14 PolarHBondContact O-N 2.95Å |
| 12 | A | 34 | Very low | 31.1 | Very low | 84 Ų | 84 | 108.8 Ų | 108.8 | 69% | 0.694 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -14.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A8 | A8-A12 VanDerWaalsContact O-CB 3.26Å; A8-A12 WeakPolarHBondContact O-CB 3.38Å; A8-A12 PolarHBondContact O-N 3.42Å |
| 13 | L | 34.4 | Very low | 30.8 | Very low | 107 Ų | 107 | 108 Ų | 108 | 56% | 0.56 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -2.1 | 177.8 | -71.5 | 162.4 | 0 | 0 | 0 | 113.7 | L11 F429 | L11-L13 PolarHBondContact O-N 2.94Å; L13-F429 HydrophobicContact CD1-CZ 4.2Å |
| 14 | L | 31.8 | Very low | 30.4 | Very low | 125 Ų | 125 | 109.6 Ų | 109.6 | 65% | 0.654 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -100 | 121.4 | 174.7 | -77.4 | 160.3 | 0 | 0 | 0 | 110.3 | L11 S16 | L11-L14 PolarHBondContact O-N 2.95Å; L14-S16 PolarHBondContact O-N 2.64Å; L14-S16 VanDerWaalsContact O-N 3.13Å |
| 15 | P | 30.9 | Very low | 30.2 | Very low | 121 Ų | 121 | 109.1 Ų | 109.1 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | trans | -79 | 100.6 | 171.4 | 30.4 | -27.2 | 0 | 0 | 0 | 108.1 | ||||
| 16 | S | 30 | Very low | 29.7 | Very low | 122 Ų | 122 | 114.7 Ų | 114.7 | 85% | 0.853 | 72% | 0.717 | S | S | * | * | trans | 160.6 | 130.6 | 142.5 | -72.1 | 0 | 0 | 0 | 0 | 112.6 | L14 | L14-S16 PolarHBondContact O-N 2.64Å; L14-S16 VanDerWaalsContact O-N 3.13Å | ||
| 17 | G | 27.4 | Very low | 28.9 | Very low | 80 Ų | 80 | 119.6 Ų | 119.6 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | trans | 100.8 | 109.7 | 144.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 18 | Q | 31.8 | Very low | 28.3 | Very low | 183 Ų | 183 | 119.7 Ų | 119.7 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | trans | -52.3 | 144.5 | 167 | -63.8 | 171.9 | -31.4 | 0 | 0 | 112.6 | ||||
| 19 | L | 24.3 | Very low | 27.8 | Very low | 176 Ų | 176 | 123.1 Ų | 123.1 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | trans | -154.4 | 125.5 | 137.1 | -134.2 | 85.2 | 0 | 0 | 0 | 111.1 | ||||
| 20 | L | 25.5 | Very low | 27.1 | Very low | 159 Ų | 159 | 126.4 Ų | 126.4 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -66.9 | 150.2 | 170.7 | -79.2 | 97 | 0 | 0 | 0 | 111.4 | ||||
| 21 | A | 25.2 | Very low | 26.8 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -150.1 | 110.5 | 141.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 22 | S | 22.1 | Very low | 26.3 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -69.9 | 148.1 | 163.5 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 23 | G | 24.4 | Very low | 25.7 | Very low | 76 Ų | 76 | 129 Ų | 129 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | -176.4 | 77.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 24 | T | 23.3 | Very low | 25.1 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -62.4 | 135.5 | 166.2 | 45 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 25 | G | 23.9 | Very low | 24.7 | Very low | 75 Ų | 75 | 129.4 Ų | 129.4 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | -162.2 | 96.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 26 | N | 21.9 | Very low | 24.3 | Very low | 162 Ų | 162 | 128.6 Ų | 128.6 | 87% | 0.866 | 83% | 0.827 | S | S | * | * | trans | -57 | 137.9 | 163.7 | -87.1 | -13.7 | 0 | 0 | 0 | 110.3 | ||||
| 27 | F | 22.3 | Very low | 23.9 | Very low | 205 Ų | 205 | 126.2 Ų | 126.2 | 90% | 0.899 | 82% | 0.822 | S | S | * | * | trans | -150.9 | 143.3 | 143.9 | -128.3 | -89.3 | 0 | 0 | 0 | 112.9 | ||||
| 28 | S | 22.3 | Very low | 23.8 | Very low | 101 Ų | 101 | 128.4 Ų | 128.4 | 71% | 0.706 | 82% | 0.822 | S | S | * | * | trans | -81.5 | 163.6 | -158.9 | -34.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 29 | T | 21.3 | Very low | 23.4 | Very low | 129 Ų | 129 | 126.7 Ų | 126.7 | 79% | 0.791 | 82% | 0.824 | S | S | * | * | trans | -66.7 | 159.7 | 176.4 | 41.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 30 | E | 22.8 | Very low | 23.4 | Very low | 178 Ų | 178 | 123.4 Ų | 123.4 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | 107.6 | 152.1 | 150 | -68 | -129 | 133.9 | 0 | 0 | 119.2 | ||||
| 31 | P | 30.3 | Very low | 23.5 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | -131.1 | 170.5 | -94.7 | 24.2 | 2.1 | 0 | 0 | 0 | 114.5 | |||||
| 32 | G | 21.4 | Very low | 23.7 | Very low | 70 Ų | 70 | 119.4 Ų | 119.4 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | 149.9 | 98.7 | 159.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 33 | V | 21.9 | Very low | 24 | Very low | 157 Ų | 157 | 120.4 Ų | 120.4 | 95% | 0.952 | 78% | 0.781 | S | S | * | * | trans | 55.6 | 117.9 | 135.8 | -169 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 34 | G | 21.5 | Very low | 24.2 | Very low | 63 Ų | 63 | 122.4 Ų | 122.4 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | trans | 140.2 | 86.5 | 135.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 35 | L | 23.8 | Very low | 24.3 | Very low | 179 Ų | 179 | 118 Ų | 118 | 94% | 0.937 | 75% | 0.746 | S | S | * | * | trans | 58 | 98.4 | 147.5 | -79.8 | 83.5 | 0 | 0 | 0 | 121.8 | ||||
| 36 | A | 22.4 | Very low | 24.5 | Very low | 103 Ų | 103 | 123.4 Ų | 123.4 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | -166.2 | 127.5 | 128.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 37 | G | 22.3 | Very low | 24.8 | Very low | 72 Ų | 72 | 119 Ų | 119 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | trans | -69.5 | 153.2 | -157.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 38 | P | 25 | Very low | 25.5 | Very low | 127 Ų | 127 | 113.7 Ų | 113.7 | 83% | 0.825 | 72% | 0.721 | S | S | * | * | trans | -75.9 | 134.8 | 175.2 | 30.6 | -31.4 | 0 | 0 | 0 | 111.2 | S40 | P38-S40 PolarHBondContact O-N 3.29Š| ||
| 39 | T | 24.2 | Very low | 26.7 | Very low | 147 Ų | 147 | 112.2 Ų | 112.2 | 90% | 0.902 | 71% | 0.706 | S | S | * | * | trans | -56 | 109.7 | 169.1 | 38.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 40 | S | 23.1 | Very low | 28.9 | Very low | 106 Ų | 106 | 109.7 Ų | 109.7 | 74% | 0.741 | 69% | 0.685 | S | S | * | * | trans | -84.2 | 105.5 | 173.5 | 54.1 | 0 | 0 | 0 | 0 | 110.2 | P38 | P38-S40 PolarHBondContact O-N 3.29Š| ||
| 41 | L | 28.8 | Very low | 31.4 | Very low | 128 Ų | 128 | 101.4 Ų | 101.4 | 67% | 0.67 | 65% | 0.647 | S | S | * | * | trans | -76.3 | 120.1 | 159.1 | -142.7 | 91.9 | 0 | 0 | 0 | 106.3 | M43 E75 | L41-M43 PolarHBondContact O-N 3.47Å; L41-E75 WeakPolarHBondContact CD1-OE2 3.06Å | ||
| 42 | A | 28.3 | Very low | 33.4 | Very low | 52 Ų | 52 | 97.4 Ų | 97.4 | 43% | 0.43 | 62% | 0.619 | S | S | . | * | trans | -67.5 | 105.2 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P70 | A42-P70 HydrophobicContact CB-CB 4.25Š| ||
| 43 | M | 27.8 | Very low | 36.1 | Very low | 138 Ų | 138 | 99.4 Ų | 99.4 | 68% | 0.68 | 60% | 0.604 | S | S | * | * | 17 | 109.8 | 128.1 | -79.5 | 172.4 | 152.4 | 0 | 0 | 116.6 | L41 S45 | L41-M43 PolarHBondContact O-N 3.47Å; M43-S45 PolarHBondContact O-N 2.86Å | |||
| 44 | M | 29.9 | Very low | 39 | Very low | 117 Ų | 117 | 91.9 Ų | 91.9 | 58% | 0.576 | 56% | 0.559 | S | S | * | * | trans | -84.2 | 66.3 | 136.5 | -75.4 | -176.5 | 67.6 | 0 | 0 | 107.9 | T164 L167 | M44-T164 HydrophobicContact CB-CG2 3.83Å; M44-T164 HydrophobicContact CE-CG2 4.47Å; M44-T164 HydrophobicContact CG-CG2 4.13Å; M44-T164 HydrophobicContact SD-CG2 3.58Å; M44-T164 VanDerWaalsContact SD-CG2 3.58Å; M44-L167 HydrophobicContact CE-CD2 3.92Å; M44-L167 HydrophobicContact SD-CD2 4.49Å | ||
| 45 | S | 24.3 | Very low | 42 | Very low | 51 Ų | 51 | 91.1 Ų | 91.1 | 36% | 0.357 | 54% | 0.539 | S | S | . | . | trans | -100.1 | 120.4 | 172.2 | 175.5 | 0 | 0 | 0 | 0 | 107.3 | M43 S47 | M43-S45 PolarHBondContact O-N 2.86Å; S45-S47 PolarHBondContact O-N 3.28Å; S45-S47 PolarHBondContact O-OG 3.04Å | ||
| 46 | E | 29.4 | Very low | 44.8 | Very low | 190 Ų | 190 | 89.2 Ų | 89.2 | 89% | 0.888 | 53% | 0.53 | S | S | * | . | trans | -45.5 | 104.6 | 167 | -89 | -169.9 | 133.6 | 0 | 0 | 110.2 | ||||
| 47 | S | 27.9 | Very low | 47.8 | Very low | 68 Ų | 68 | 88.9 Ų | 88.9 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | trans | -144.9 | 70.6 | 167.2 | 58.7 | 0 | 0 | 0 | 0 | 109.2 | S45 D49 | S45-S47 PolarHBondContact O-N 3.28Å; S45-S47 PolarHBondContact O-OG 3.04Å; S47-D49 PolarHBondContact O-N 3.49Å | ||
| 48 | S | 36.3 | Very low | 50.8 | Low | 95 Ų | 95 | 88.3 Ų | 88.3 | 66% | 0.664 | 49% | 0.492 | S | S | * | . | S | Bend | trans | 52.3 | -9.9 | 161 | 53 | 0 | 0 | 0 | 0 | 121.3 | R53 | S48-R53 PolarHBondContact O-NH1 2.77Š|
| 49 | D | 47.4 | Very low | 53.4 | Low | 70 Ų | 70 | 84.7 Ų | 84.7 | 37% | 0.374 | 47% | 0.473 | S | S | . | . | trans | -125.7 | 64.1 | -169.3 | -68.5 | -21.3 | 0 | 0 | 0 | 110.8 | S47 T69 | S47-D49 PolarHBondContact O-N 3.49Å; D49-T69 HydrophobicContact CB-CG2 4.26Å; D49-T69 WeakPolarHBondContact O-CG2 3.05Å | ||
| 50 | Q | 68.2 | Low | 56.1 | Low | 75 Ų | 75 | 81.5 Ų | 81.5 | 35% | 0.35 | 46% | 0.461 | S | S | . | . | trans | -66.5 | 138.7 | 175.8 | -64.7 | 168.9 | -37.1 | 0 | 0 | 111.2 | D52 R53 | Q50-D52 VanDerWaalsContact C-OD1 3.3Å; Q50-D52 WeakPolarHBondContact CB-OD1 3.46Å; Q50-D52 PolarHBondContact O-N 3.32Å; Q50-R53 PolarHBondContact O-N 3.29Å | ||
| 51 | C | 75 | Confident | 59.1 | Low | 5 Ų | 5 | 81.4 Ų | 81.4 | 3% | 0.034 | 45% | 0.449 | C | S | . | . | G | 310 helix | trans | -67.7 | -19.4 | -177.5 | -164.4 | 0 | 0 | 0 | 0 | 113.9 | R53 V54 D71 C72 V455 | C51-R53 PolarHBondContact O-N 2.85Å; C51-V54 WeakPolarHBondContact O-CG2 3.45Å; C51-V54 PolarHBondContact O-N 3.46Å; C51-D71 HydrophobicContact CB-CB 4.35Å; C51-C72 VanDerWaalsContact CA-SG 3.58Å; C51-C72 HydrophobicContact CB-CB 4.13Å; C51-C72 WeakPolarHBondContact CB-SG 3.27Å; C51-C72 WeakPolarHBondContact SG-CA 3.05Å; C51-C72 WeakPolarHBondContact SG-CB 3.28Å; C51-C72 CovalentContact SG-SG 2.04Å; C51-C72 PolarHBondContact SG-SG 2.8Å; C51-V455 WeakPolarHBondContact O-CG1 3.3Å |
| 52 | D | 71.7 | Confident | 61.9 | Low | 33 Ų | 33 | 77.7 Ų | 77.7 | 18% | 0.176 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -61.4 | -24.2 | 172.3 | 59.3 | -6 | 0 | 0 | 0 | 113.1 | Q50 V54 | Q50-D52 VanDerWaalsContact C-OD1 3.3Å; Q50-D52 WeakPolarHBondContact CB-OD1 3.46Å; Q50-D52 PolarHBondContact O-N 3.32Å; D52-V54 VanDerWaalsContact C-N 3.28Å; D52-V54 PolarHBondContact O-N 3.15Å |
| 53 | R | 78.5 | Confident | 64.6 | Low | 111 Ų | 111 | 76.6 Ų | 76.6 | 42% | 0.419 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -78.5 | -3.4 | 179 | -61.6 | 179.9 | -172.7 | -174.5 | -0.4 | 114.4 | S48 Q50 C51 M55 N56 Y57 | S48-R53 PolarHBondContact O-NH1 2.77Å; Q50-R53 PolarHBondContact O-N 3.29Å; C51-R53 PolarHBondContact O-N 2.85Å; R53-M55 PolarHBondContact O-N 3.01Å; R53-M55 VanDerWaalsContact O-N 3.09Å; R53-N56 WeakPolarHBondContact O-CB 3.48Å; R53-N56 PolarHBondContact O-N 3.32Å; R53-Y57 WeakPolarHBondContact O-CD2 3.38Å |
| 54 | V | 83.2 | Confident | 67.4 | Low | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -51 | -39 | 179.8 | 171 | 0 | 0 | 0 | 0 | 111.4 | C51 D52 N56 Y57 R62 F65 V66 F86 V455 | C51-V54 WeakPolarHBondContact O-CG2 3.45Å; C51-V54 PolarHBondContact O-N 3.46Å; D52-V54 VanDerWaalsContact C-N 3.28Å; D52-V54 PolarHBondContact O-N 3.15Å; V54-N56 VanDerWaalsContact C-N 3.26Å; V54-N56 PolarHBondContact O-N 3.49Å; V54-Y57 PolarHBondContact O-N 2.95Å; V54-R62 HydrophobicContact CG1-CB 4.26Å; V54-R62 HydrophobicContact CG1-CG 4.11Å; V54-F65 HydrophobicContact CB-CD1 4.42Å; V54-F65 HydrophobicContact CG2-CD1 3.56Å; V54-F65 HydrophobicContact CG2-CE1 3.66Å; V54-V66 HydrophobicContact CG1-CG2 4.03Å; V54-V66 HydrophobicContact CG2-CG2 3.82Å; V54-F86 HydrophobicContact CG1-CD2 4.18Å; V54-F86 HydrophobicContact CG1-CE1 4.46Å; V54-F86 HydrophobicContact CG1-CE2 3.86Å; V54-F86 HydrophobicContact CG1-CZ 4Å; V54-V455 HydrophobicContact CB-CG1 4.31Å |
| 55 | M | 83.5 | Confident | 70.1 | Confident | 47 Ų | 47 | 68.5 Ų | 68.5 | 23% | 0.232 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -70.7 | -19.4 | -176.7 | -66.6 | -58.5 | -73.9 | 0 | 0 | 113.8 | R53 Y57 R62 F86 V455 | R53-M55 PolarHBondContact O-N 3.01Å; R53-M55 VanDerWaalsContact O-N 3.09Å; M55-Y57 VanDerWaalsContact C-N 3.3Å; M55-Y57 PolarHBondContact O-N 3.27Å; M55-R62 PolarHBondContact O-NH2 2.04Å; M55-R62 VanDerWaalsContact O-NH2 3.15Å; M55-F86 HydrophobicContact SD-CE1 4.2Å; M55-F86 HydrophobicContact SD-CZ 3.99Å; M55-V455 WeakPolarHBondContact CG-O 3.37Å |
| 56 | N | 84.6 | Confident | 73.1 | Confident | 138 Ų | 138 | 66.1 Ų | 66.1 | 74% | 0.738 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -75.7 | -16.7 | 176.2 | -71.3 | -13.3 | 0 | 0 | 0 | 113.3 | R53 V54 | R53-N56 WeakPolarHBondContact O-CB 3.48Å; R53-N56 PolarHBondContact O-N 3.32Å; V54-N56 VanDerWaalsContact C-N 3.26Å; V54-N56 PolarHBondContact O-N 3.49Å |
| 57 | Y | 84.5 | Confident | 75.7 | Confident | 96 Ų | 96 | 63.8 Ų | 63.8 | 38% | 0.376 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -88 | 155.5 | 177.7 | -71.9 | -89.6 | 0 | 0 | 0 | 112.5 | R53 V54 M55 R62 F65 | R53-Y57 WeakPolarHBondContact O-CD2 3.38Å; V54-Y57 PolarHBondContact O-N 2.95Å; M55-Y57 VanDerWaalsContact C-N 3.3Å; M55-Y57 PolarHBondContact O-N 3.27Å; Y57-R62 PolarHBondContact O-NE 2.9Å; Y57-R62 PolarHBondContact O-NH2 3.24Å; Y57-F65 HydrophobicContact CD2-CD2 4.07Å; Y57-F65 HydrophobicContact CD2-CE2 4.34Å; Y57-F65 HydrophobicContact CD2-CG 4.28Å; Y57-F65 AromaticContact CE2-CD2 3.6Å; Y57-F65 HydrophobicContact CE2-CD2 3.6Å; Y57-F65 AromaticContact CE2-CE2 3.54Å; Y57-F65 HydrophobicContact CE2-CE2 3.54Å; Y57-F65 HydrophobicContact CE2-CG 4.24Å; Y57-F65 HydrophobicContact CE2-CZ 4.12Å; Y57-F65 AromaticContact CZ-CD2 3.85Å; Y57-F65 AromaticContact CZ-CE2 3.91Å |
| 58 | S | 84.6 | Confident | 78.5 | Confident | 60 Ų | 60 | 70.8 Ų | 70.8 | 42% | 0.42 | 37% | 0.371 | S | S | . | . | trans | -61.8 | 149.3 | 175.9 | 75 | 0 | 0 | 0 | 0 | 111.3 | A60 E61 R62 | S58-A60 PolarHBondContact O-N 3.29Å; S58-E61 PolarHBondContact O-N 3.35Å; S58-E61 WeakPolarHBondContact OG-CG 3.29Å; S58-E61 PolarHBondContact OG-OE2 3.09Å; S58-R62 WeakPolarHBondContact O-CG 3.48Å; S58-R62 PolarHBondContact O-N 2.68Å | ||
| 59 | A | 80.3 | Confident | 80.6 | Confident | 51 Ų | 51 | 66.5 Ų | 66.5 | 42% | 0.421 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -28.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | P91 | A59-P91 HydrophobicContact CB-CB 3.78Š|
| 60 | A | 81.2 | Confident | 81.9 | Confident | 80 Ų | 80 | 66.3 Ų | 66.3 | 66% | 0.661 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -28.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S58 | S58-A60 PolarHBondContact O-N 3.29Š|
| 61 | E | 86 | Confident | 82 | Confident | 105 Ų | 105 | 65 Ų | 65 | 49% | 0.491 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -18.9 | -175.6 | -68.5 | 166.7 | 155.1 | 0 | 0 | 112.8 | S58 C63 A64 F65 | S58-E61 PolarHBondContact O-N 3.35Å; S58-E61 WeakPolarHBondContact OG-CG 3.29Å; S58-E61 PolarHBondContact OG-OE2 3.09Å; E61-C63 VanDerWaalsContact C-N 3.32Å; E61-C63 PolarHBondContact O-N 3.18Å; E61-A64 WeakPolarHBondContact O-CB 3.48Å; E61-A64 PolarHBondContact O-N 3.29Å; E61-F65 PolarHBondContact O-N 2.96Å |
| 62 | R | 86.4 | Confident | 82 | Confident | 49 Ų | 49 | 64.8 Ų | 64.8 | 19% | 0.185 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -52.8 | -44.9 | -178.7 | -73 | 176.6 | -172.5 | -177.4 | -7.4 | 113.3 | V54 M55 Y57 S58 A64 F65 V66 F86 | V54-R62 HydrophobicContact CG1-CB 4.26Å; V54-R62 HydrophobicContact CG1-CG 4.11Å; M55-R62 PolarHBondContact O-NH2 2.04Å; M55-R62 VanDerWaalsContact O-NH2 3.15Å; Y57-R62 PolarHBondContact O-NE 2.9Å; Y57-R62 PolarHBondContact O-NH2 3.24Å; S58-R62 WeakPolarHBondContact O-CG 3.48Å; S58-R62 PolarHBondContact O-N 2.68Å; R62-A64 VanDerWaalsContact C-N 3.35Å; R62-A64 PolarHBondContact O-N 3.2Å; R62-F65 PolarHBondContact O-N 3.36Å; R62-V66 WeakPolarHBondContact O-CB 3.49Å; R62-V66 VanDerWaalsContact O-CG2 3.27Å; R62-V66 WeakPolarHBondContact O-CG2 2.99Å; R62-V66 PolarHBondContact O-N 3.27Å; R62-F86 HydrophobicContact CB-CD1 4.28Å; R62-F86 HydrophobicContact CB-CG 4.5Å |
| 63 | C | 87 | Confident | 81.8 | Confident | 29 Ų | 29 | 65.2 Ų | 65.2 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66 | -37.9 | 178.5 | 177.1 | 0 | 0 | 0 | 0 | 112.5 | E61 K67 F86 C87 | E61-C63 VanDerWaalsContact C-N 3.32Å; E61-C63 PolarHBondContact O-N 3.18Å; C63-K67 WeakPolarHBondContact O-CB 3.39Å; C63-K67 WeakPolarHBondContact O-CG 3.01Å; C63-K67 PolarHBondContact O-N 3.05Å; C63-K67 VanDerWaalsContact O-N 3.11Å; C63-F86 WeakPolarHBondContact CB-O 3.33Å; C63-C87 WeakPolarHBondContact CA-SG 3.12Å; C63-C87 HydrophobicContact CB-CB 4.08Å; C63-C87 WeakPolarHBondContact CB-SG 3.39Å; C63-C87 VanDerWaalsContact SG-CA 3.53Å; C63-C87 WeakPolarHBondContact SG-CB 3.43Å; C63-C87 CovalentContact SG-SG 2.04Å; C63-C87 PolarHBondContact SG-SG 3.44Å |
| 64 | A | 86.1 | Confident | 81 | Confident | 63 Ų | 63 | 63.2 Ų | 63.2 | 52% | 0.521 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.9 | -41.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | E61 R62 K67 R68 | E61-A64 WeakPolarHBondContact O-CB 3.48Å; E61-A64 PolarHBondContact O-N 3.29Å; R62-A64 VanDerWaalsContact C-N 3.35Å; R62-A64 PolarHBondContact O-N 3.2Å; A64-K67 PolarHBondContact O-N 3.22Å; A64-R68 WeakPolarHBondContact O-CB 3.27Å; A64-R68 PolarHBondContact O-N 3.26Å; A64-R68 VanDerWaalsContact O-N 3.11Å |
| 65 | F | 87.1 | Confident | 79.8 | Confident | 22 Ų | 22 | 68.8 Ų | 68.8 | 10% | 0.096 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61 | -53.2 | 174.5 | -175.2 | -91 | 0 | 0 | 0 | 111.5 | V54 Y57 E61 R62 K67 R68 T69 | V54-F65 HydrophobicContact CB-CD1 4.42Å; V54-F65 HydrophobicContact CG2-CD1 3.56Å; V54-F65 HydrophobicContact CG2-CE1 3.66Å; Y57-F65 HydrophobicContact CD2-CD2 4.07Å; Y57-F65 HydrophobicContact CD2-CE2 4.34Å; Y57-F65 HydrophobicContact CD2-CG 4.28Å; Y57-F65 AromaticContact CE2-CD2 3.6Å; Y57-F65 HydrophobicContact CE2-CD2 3.6Å; Y57-F65 AromaticContact CE2-CE2 3.54Å; Y57-F65 HydrophobicContact CE2-CE2 3.54Å; Y57-F65 HydrophobicContact CE2-CG 4.24Å; Y57-F65 HydrophobicContact CE2-CZ 4.12Å; Y57-F65 AromaticContact CZ-CD2 3.85Å; Y57-F65 AromaticContact CZ-CE2 3.91Å; E61-F65 PolarHBondContact O-N 2.96Å; R62-F65 PolarHBondContact O-N 3.36Å; F65-K67 PolarHBondContact O-N 3.03Å; F65-K67 VanDerWaalsContact O-N 3.13Å; F65-R68 PolarHBondContact O-N 3.37Å; F65-T69 PolarHBondContact O-N 2.84Å; F65-T69 PolarHBondContact O-OG1 3.31Å |
| 66 | V | 86 | Confident | 78.6 | Confident | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.006 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58.2 | -31 | 179.4 | 170 | 0 | 0 | 0 | 0 | 112.9 | V54 R62 C72 L82 K83 F86 | V54-V66 HydrophobicContact CG1-CG2 4.03Å; V54-V66 HydrophobicContact CG2-CG2 3.82Å; R62-V66 WeakPolarHBondContact O-CB 3.49Å; R62-V66 VanDerWaalsContact O-CG2 3.27Å; R62-V66 WeakPolarHBondContact O-CG2 2.99Å; R62-V66 PolarHBondContact O-N 3.27Å; V66-C72 HydrophobicContact CG1-CB 4.13Å; V66-L82 HydrophobicContact CG1-CB 4.15Å; V66-K83 HydrophobicContact CG1-CG 3.82Å; V66-F86 HydrophobicContact CG2-CD2 4.05Å |
| 67 | K | 85.3 | Confident | 77.7 | Confident | 141 Ų | 141 | 65.4 Ų | 65.4 | 61% | 0.613 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -78.5 | -28.6 | 176 | -76.9 | 178.8 | 176.8 | 177.3 | 0 | 113.5 | C63 A64 F65 | C63-K67 WeakPolarHBondContact O-CB 3.39Å; C63-K67 WeakPolarHBondContact O-CG 3.01Å; C63-K67 PolarHBondContact O-N 3.05Å; C63-K67 VanDerWaalsContact O-N 3.11Å; A64-K67 PolarHBondContact O-N 3.22Å; F65-K67 PolarHBondContact O-N 3.03Å; F65-K67 VanDerWaalsContact O-N 3.13Å |
| 68 | R | 84.8 | Confident | 77.3 | Confident | 216 Ų | 216 | 64.7 Ų | 64.7 | 82% | 0.815 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -86.6 | -31.4 | -176.5 | -173.4 | 176.3 | 178 | 177.5 | -2 | 112 | A64 F65 | A64-R68 WeakPolarHBondContact O-CB 3.27Å; A64-R68 PolarHBondContact O-N 3.26Å; A64-R68 VanDerWaalsContact O-N 3.11Å; F65-R68 PolarHBondContact O-N 3.37Å |
| 69 | T | 81.7 | Confident | 77.2 | Confident | 5 Ų | 5 | 67.6 Ų | 67.6 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | trans | -87.1 | 117.2 | -176.5 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | D49 F65 D71 C72 | D49-T69 HydrophobicContact CB-CG2 4.26Å; D49-T69 WeakPolarHBondContact O-CG2 3.05Å; F65-T69 PolarHBondContact O-N 2.84Å; F65-T69 PolarHBondContact O-OG1 3.31Å; T69-D71 VanDerWaalsContact C-N 3.32Å; T69-D71 HydrophobicContact CG2-CB 4.08Å; T69-D71 PolarHBondContact O-N 3.02Å; T69-C72 PolarHBondContact O-N 3.19Å | ||
| 70 | P | 73.5 | Confident | 77.4 | Confident | 66 Ų | 66 | 67 Ų | 67 | 43% | 0.429 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -66.8 | -30.5 | -179.6 | 27.1 | -33.5 | 0 | 0 | 0 | 112.9 | A42 C72 S73 | A42-P70 HydrophobicContact CB-CB 4.25Å; P70-C72 PolarHBondContact O-N 3.04Å; P70-S73 WeakPolarHBondContact O-CA 3.37Å; P70-S73 PolarHBondContact O-N 3.36Å; P70-S73 PolarHBondContact O-OG 3.46Å |
| 71 | D | 72.1 | Confident | 77.7 | Confident | 48 Ų | 48 | 63.4 Ų | 63.4 | 26% | 0.257 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -62.4 | -23.8 | 176 | -62.9 | 2.6 | 0 | 0 | 0 | 112.8 | C51 T69 S73 | C51-D71 HydrophobicContact CB-CB 4.35Å; T69-D71 VanDerWaalsContact C-N 3.32Å; T69-D71 HydrophobicContact CG2-CB 4.08Å; T69-D71 PolarHBondContact O-N 3.02Å; D71-S73 VanDerWaalsContact C-N 3.29Å |
| 72 | C | 74.4 | Confident | 77.7 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -80.2 | -10.4 | 174.4 | -66 | 0 | 0 | 0 | 0 | 113 | C51 V66 T69 P70 M74 N80 L82 | C51-C72 VanDerWaalsContact CA-SG 3.58Å; C51-C72 HydrophobicContact CB-CB 4.13Å; C51-C72 WeakPolarHBondContact CB-SG 3.27Å; C51-C72 WeakPolarHBondContact SG-CA 3.05Å; C51-C72 WeakPolarHBondContact SG-CB 3.28Å; C51-C72 CovalentContact SG-SG 2.04Å; C51-C72 PolarHBondContact SG-SG 2.8Å; V66-C72 HydrophobicContact CG1-CB 4.13Å; T69-C72 PolarHBondContact O-N 3.19Å; P70-C72 PolarHBondContact O-N 3.04Å; C72-M74 PolarHBondContact O-N 3.42Å; C72-N80 PolarHBondContact O-ND2 2.86Å; C72-L82 HydrophobicContact CB-CD1 4.3Å |
| 73 | S | 67.9 | Low | 77.7 | Confident | 41 Ų | 41 | 60.2 Ų | 60.2 | 29% | 0.287 | 30% | 0.3 | S | S | . | . | trans | -90 | 77.7 | 170.8 | 39.8 | 0 | 0 | 0 | 0 | 112.3 | P70 D71 E75 N80 | P70-S73 WeakPolarHBondContact O-CA 3.37Å; P70-S73 PolarHBondContact O-N 3.36Å; P70-S73 PolarHBondContact O-OG 3.46Å; D71-S73 VanDerWaalsContact C-N 3.29Å; S73-E75 PolarHBondContact O-N 2.91Å; S73-N80 WeakPolarHBondContact CA-ND2 3.2Å | ||
| 74 | M | 61.7 | Low | 77.7 | Confident | 70 Ų | 70 | 61.6 Ų | 61.6 | 35% | 0.345 | 31% | 0.305 | S | S | . | . | trans | -66.8 | 127.6 | 168.8 | -55.5 | -63.8 | -92.4 | 0 | 0 | 109.7 | C72 | C72-M74 PolarHBondContact O-N 3.42Š| ||
| 75 | E | 57.4 | Low | 77.6 | Confident | 117 Ų | 117 | 58.6 Ų | 58.6 | 55% | 0.547 | 28% | 0.281 | S | S | . | . | trans | -94.8 | -6.4 | -178.8 | -65.6 | -172.7 | 165.7 | 0 | 0 | 113.5 | L41 S73 G77 | L41-E75 WeakPolarHBondContact CD1-OE2 3.06Å; S73-E75 PolarHBondContact O-N 2.91Å; E75-G77 VanDerWaalsContact C-N 3.35Å; E75-G77 PolarHBondContact O-N 3.46Å | ||
| 76 | D | 57.8 | Low | 77.6 | Confident | 100 Ų | 100 | 58.3 Ų | 58.3 | 54% | 0.535 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -79.5 | -11.6 | -173.7 | -65.1 | -33.4 | 0 | 0 | 0 | 114.7 | S382 | D76-S382 WeakPolarHBondContact O-CB 3.17Å; D76-S382 PolarHBondContact O-OG 2.91Å |
| 77 | G | 65.4 | Low | 77.5 | Confident | 13 Ų | 13 | 60 Ų | 60 | 13% | 0.134 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -112.9 | 150.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E75 F79 E445 | E75-G77 VanDerWaalsContact C-N 3.35Å; E75-G77 PolarHBondContact O-N 3.46Å; G77-F79 PolarHBondContact O-N 3.06Å; G77-E445 VanDerWaalsContact CA-OE1 3.25Å; G77-E445 WeakPolarHBondContact CA-OE1 3.31Å |
| 78 | F | 76.1 | Confident | 77.6 | Confident | 81 Ų | 81 | 58.3 Ų | 58.3 | 36% | 0.355 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -55.9 | -35.9 | 170.7 | -77.3 | -86.2 | 0 | 0 | 0 | 111.9 | V379 S382 A441 E445 | F78-V379 HydrophobicContact CE2-CG1 4.4Å; F78-V379 HydrophobicContact CZ-CB 4.34Å; F78-V379 HydrophobicContact CZ-CG1 4.14Å; F78-V379 WeakPolarHBondContact CZ-O 3.29Å; F78-S382 WeakPolarHBondContact CE1-O 3.25Å; F78-S382 VanDerWaalsContact CZ-C 3.42Å; F78-S382 VanDerWaalsContact CZ-CA 3.47Å; F78-A441 HydrophobicContact CE2-CB 4.2Å; F78-E445 HydrophobicContact CD2-CG 4.24Å; F78-E445 WeakPolarHBondContact CD2-OE1 3.05Å; F78-E445 PolarHBondContact N-OE1 3.17Å |
| 79 | F | 82.6 | Confident | 77.6 | Confident | 121 Ų | 121 | 50.1 Ų | 50.1 | 53% | 0.531 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -117.8 | 134 | -179.9 | -58.7 | -73.4 | 0 | 0 | 0 | 111.1 | G77 Y81 | G77-F79 PolarHBondContact O-N 3.06Å; F79-Y81 HydrophobicContact CB-CD2 4.49Å; F79-Y81 HydrophobicContact CB-CE1 4.3Å; F79-Y81 HydrophobicContact CB-CE2 4.1Å; F79-Y81 WeakPolarHBondContact O-CD2 3.45Å; F79-Y81 WeakPolarHBondContact O-CE2 3.35Å; F79-Y81 PolarHBondContact O-N 3.32Å |
| 80 | N | 84.6 | Confident | 77.6 | Confident | 38 Ų | 38 | 53.7 Ų | 53.7 | 20% | 0.203 | 28% | 0.283 | C | S | . | . | trans | -77.9 | 93.9 | 168.2 | -171.2 | -58.6 | 0 | 0 | 0 | 110 | C72 S73 L82 K83 L84 | C72-N80 PolarHBondContact O-ND2 2.86Å; S73-N80 WeakPolarHBondContact CA-ND2 3.2Å; N80-L82 VanDerWaalsContact C-N 3.29Å; N80-L82 PolarHBondContact O-N 3.35Å; N80-L82 PolarHBondContact OD1-N 3.04Å; N80-K83 HydrophobicContact CB-CB 4.19Å; N80-K83 HydrophobicContact CB-CD 4.12Å; N80-K83 HydrophobicContact CB-CG 4.37Å; N80-K83 PolarHBondContact O-N 3.21Å; N80-K83 WeakPolarHBondContact OD1-CB 3.38Å; N80-K83 WeakPolarHBondContact OD1-CG 3.5Å; N80-K83 PolarHBondContact OD1-N 3.35Å; N80-L84 PolarHBondContact O-N 3.28Å | ||
| 81 | Y | 87 | Confident | 77.9 | Confident | 6 Ų | 6 | 53.2 Ų | 53.2 | 2% | 0.024 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.7 | -25.2 | -176 | -69.4 | -77.7 | 0 | 0 | 0 | 114.1 | F79 L84 A85 W104 E445 L449 | F79-Y81 HydrophobicContact CB-CD2 4.49Å; F79-Y81 HydrophobicContact CB-CE1 4.3Å; F79-Y81 HydrophobicContact CB-CE2 4.1Å; F79-Y81 WeakPolarHBondContact O-CD2 3.45Å; F79-Y81 WeakPolarHBondContact O-CE2 3.35Å; F79-Y81 PolarHBondContact O-N 3.32Å; Y81-L84 HydrophobicContact CD1-CD2 4.03Å; Y81-L84 HydrophobicContact CE1-CD2 4.38Å; Y81-L84 PolarHBondContact O-N 3.13Å; Y81-A85 WeakPolarHBondContact O-CB 3.35Å; Y81-A85 PolarHBondContact O-N 3.42Å; Y81-W104 AromaticContact CE1-CD1 3.81Å; Y81-W104 AromaticContact CZ-NE1 3.9Å; Y81-W104 PolarHBondContact OH-NE1 3.38Å; Y81-E445 VanDerWaalsContact CE2-OE2 3.29Å; Y81-E445 WeakPolarHBondContact CE2-OE2 3.45Å; Y81-E445 VanDerWaalsContact CZ-OE2 3.27Å; Y81-E445 PolarHBondContact OH-OE2 3.31Å; Y81-L449 HydrophobicContact CD1-CD2 3.24Å; Y81-L449 HydrophobicContact CD1-CG 3.8Å; Y81-L449 HydrophobicContact CD2-CD2 4.36Å; Y81-L449 HydrophobicContact CD2-CG 4.1Å; Y81-L449 HydrophobicContact CE1-CD1 4.13Å; Y81-L449 HydrophobicContact CE1-CD2 3.39Å; Y81-L449 HydrophobicContact CE1-CG 3.64Å; Y81-L449 HydrophobicContact CE2-CD2 4.48Å; Y81-L449 HydrophobicContact CE2-CG 3.96Å; Y81-L449 HydrophobicContact CG-CD2 3.76Å; Y81-L449 HydrophobicContact CG-CG 4.02Å |
| 82 | L | 86 | Confident | 78.4 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.2 | -46.9 | 174.2 | -77.4 | 163.9 | 0 | 0 | 0 | 111.1 | V66 C72 N80 L84 A85 F86 M452 V455 | V66-L82 HydrophobicContact CG1-CB 4.15Å; C72-L82 HydrophobicContact CB-CD1 4.3Å; N80-L82 VanDerWaalsContact C-N 3.29Å; N80-L82 PolarHBondContact O-N 3.35Å; N80-L82 PolarHBondContact OD1-N 3.04Å; L82-L84 VanDerWaalsContact C-N 3.29Å; L82-L84 PolarHBondContact O-N 3.17Å; L82-A85 PolarHBondContact O-N 3.39Å; L82-F86 HydrophobicContact CD2-CD2 4.37Å; L82-F86 HydrophobicContact CD2-CE2 3.93Å; L82-F86 WeakPolarHBondContact O-CD2 3.37Å; L82-F86 PolarHBondContact O-N 3.33Å; L82-M452 HydrophobicContact CD2-CB 4.39Å; L82-M452 HydrophobicContact CD2-CG 4.14Å; L82-M452 HydrophobicContact CG-CB 4.41Å; L82-M452 HydrophobicContact CG-CG 4.43Å; L82-V455 HydrophobicContact CD2-CB 4.07Å; L82-V455 HydrophobicContact CD2-CG1 3.97Å; L82-V455 HydrophobicContact CD2-CG2 4.32Å |
| 83 | K | 86.6 | Confident | 79 | Confident | 82 Ų | 82 | 61.7 Ų | 61.7 | 36% | 0.357 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 171 | -72 | 175.6 | -175.1 | 172 | 0 | 110.4 | V66 N80 C87 | V66-K83 HydrophobicContact CG1-CG 3.82Å; N80-K83 HydrophobicContact CB-CB 4.19Å; N80-K83 HydrophobicContact CB-CD 4.12Å; N80-K83 HydrophobicContact CB-CG 4.37Å; N80-K83 PolarHBondContact O-N 3.21Å; N80-K83 WeakPolarHBondContact OD1-CB 3.38Å; N80-K83 WeakPolarHBondContact OD1-CG 3.5Å; N80-K83 PolarHBondContact OD1-N 3.35Å; K83-C87 WeakPolarHBondContact O-CA 2.86Å; K83-C87 WeakPolarHBondContact O-CB 3.4Å; K83-C87 PolarHBondContact O-N 3.42Å |
| 84 | L | 87 | Confident | 79.7 | Confident | 58 Ų | 58 | 61 Ų | 61 | 30% | 0.304 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.6 | -51.4 | 176.3 | -165.3 | 70 | 0 | 0 | 0 | 111.1 | N80 Y81 L82 F86 L88 T97 | N80-L84 PolarHBondContact O-N 3.28Å; Y81-L84 HydrophobicContact CD1-CD2 4.03Å; Y81-L84 HydrophobicContact CE1-CD2 4.38Å; Y81-L84 PolarHBondContact O-N 3.13Å; L82-L84 VanDerWaalsContact C-N 3.29Å; L82-L84 PolarHBondContact O-N 3.17Å; L84-F86 PolarHBondContact O-N 3.32Å; L84-L88 HydrophobicContact CD1-CB 4.24Å; L84-L88 HydrophobicContact CD1-CD1 4.15Å; L84-L88 HydrophobicContact CD1-CD2 3.73Å; L84-L88 HydrophobicContact CD1-CG 4.26Å; L84-L88 HydrophobicContact CG-CD2 4.33Å; L84-L88 WeakPolarHBondContact O-CB 3.14Å; L84-L88 PolarHBondContact O-N 3.45Å; L84-T97 WeakPolarHBondContact O-CG2 3.31Å |
| 85 | A | 85.4 | Confident | 81 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.3 | -45.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | Y81 L82 M452 | Y81-A85 WeakPolarHBondContact O-CB 3.35Å; Y81-A85 PolarHBondContact O-N 3.42Å; L82-A85 PolarHBondContact O-N 3.39Å; A85-M452 HydrophobicContact CB-CG 4.04Å; A85-M452 HydrophobicContact CB-SD 4Å |
| 86 | F | 85.5 | Confident | 82.5 | Confident | 16 Ų | 16 | 60.1 Ų | 60.1 | 7% | 0.07 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -102.1 | -19 | -171.4 | -62.2 | -66.2 | 0 | 0 | 0 | 114.9 | V54 M55 R62 C63 V66 L82 L84 V456 | V54-F86 HydrophobicContact CG1-CD2 4.18Å; V54-F86 HydrophobicContact CG1-CE1 4.46Å; V54-F86 HydrophobicContact CG1-CE2 3.86Å; V54-F86 HydrophobicContact CG1-CZ 4Å; M55-F86 HydrophobicContact SD-CE1 4.2Å; M55-F86 HydrophobicContact SD-CZ 3.99Å; R62-F86 HydrophobicContact CB-CD1 4.28Å; R62-F86 HydrophobicContact CB-CG 4.5Å; C63-F86 WeakPolarHBondContact CB-O 3.33Å; V66-F86 HydrophobicContact CG2-CD2 4.05Å; L82-F86 HydrophobicContact CD2-CD2 4.37Å; L82-F86 HydrophobicContact CD2-CE2 3.93Å; L82-F86 WeakPolarHBondContact O-CD2 3.37Å; L82-F86 PolarHBondContact O-N 3.33Å; L84-F86 PolarHBondContact O-N 3.32Å; F86-V456 HydrophobicContact CE2-CG2 4.42Å; F86-V456 HydrophobicContact CZ-CG2 3.82Å |
| 87 | C | 84.9 | Confident | 84 | Confident | 36 Ų | 36 | 55.5 Ų | 55.5 | 24% | 0.243 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -114.5 | -12.7 | -176.1 | -64.4 | 0 | 0 | 0 | 0 | 115.7 | C63 K83 | C63-C87 WeakPolarHBondContact CA-SG 3.12Å; C63-C87 HydrophobicContact CB-CB 4.08Å; C63-C87 WeakPolarHBondContact CB-SG 3.39Å; C63-C87 VanDerWaalsContact SG-CA 3.53Å; C63-C87 WeakPolarHBondContact SG-CB 3.43Å; C63-C87 CovalentContact SG-SG 2.04Å; C63-C87 PolarHBondContact SG-SG 3.44Å; K83-C87 WeakPolarHBondContact O-CA 2.86Å; K83-C87 WeakPolarHBondContact O-CB 3.4Å; K83-C87 PolarHBondContact O-N 3.42Å |
| 88 | L | 86.3 | Confident | 85.1 | Confident | 106 Ų | 106 | 56.5 Ų | 56.5 | 56% | 0.555 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -72.3 | -44.3 | -177.4 | -174.9 | 72.1 | 0 | 0 | 0 | 112.5 | L84 T97 | L84-L88 HydrophobicContact CD1-CB 4.24Å; L84-L88 HydrophobicContact CD1-CD1 4.15Å; L84-L88 HydrophobicContact CD1-CD2 3.73Å; L84-L88 HydrophobicContact CD1-CG 4.26Å; L84-L88 HydrophobicContact CG-CD2 4.33Å; L84-L88 WeakPolarHBondContact O-CB 3.14Å; L84-L88 PolarHBondContact O-N 3.45Å; L88-T97 HydrophobicContact CD2-CG2 4.44Å |
| 89 | L | 85.3 | Confident | 85.7 | Confident | 44 Ų | 44 | 56.1 Ų | 56.1 | 23% | 0.23 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -119.1 | 158.6 | -177.6 | -78.5 | 101.7 | 0 | 0 | 0 | 111.6 | L93 L96 T97 | L89-L93 HydrophobicContact CB-CB 4.03Å; L89-L93 HydrophobicContact CD2-CB 3.82Å; L89-L93 HydrophobicContact CD2-CD1 3.82Å; L89-L93 HydrophobicContact CD2-CG 4.46Å; L89-L96 HydrophobicContact CD2-CD2 4.32Å; L89-T97 HydrophobicContact CD1-CG2 4.47Å; L89-T97 VanDerWaalsContact CD1-OG1 3.28Å; L89-T97 WeakPolarHBondContact CD1-OG1 3.49Å |
| 90 | P | 82.8 | Confident | 86.1 | Confident | 80 Ų | 80 | 55.1 Ų | 55.1 | 52% | 0.519 | 31% | 0.305 | S | S | . | . | trans | -53.9 | 153.8 | 172.6 | -23 | 32.2 | 0 | 0 | 0 | 112.1 | N92 L93 T94 | P90-N92 PolarHBondContact O-N 2.77Å; P90-L93 PolarHBondContact O-N 2.86Å; P90-T94 PolarHBondContact O-N 3.33Å | ||
| 91 | P | 80 | Confident | 86.4 | Confident | 55 Ų | 55 | 53.6 Ų | 53.6 | 36% | 0.357 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -54.7 | -33.4 | -174.4 | 17.9 | -30.8 | 0 | 0 | 0 | 113.9 | A59 L93 T94 | A59-P91 HydrophobicContact CB-CB 3.78Å; P91-L93 PolarHBondContact O-N 2.92Å; P91-T94 WeakPolarHBondContact O-CB 3.37Å; P91-T94 VanDerWaalsContact O-CG2 3.29Å; P91-T94 WeakPolarHBondContact O-CG2 3.39Å; P91-T94 PolarHBondContact O-N 3.31Å; P91-T94 PolarHBondContact O-OG1 2.93Å |
| 92 | N | 82 | Confident | 86.5 | Confident | 147 Ų | 147 | 56.7 Ų | 56.7 | 79% | 0.786 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -66.1 | -20.9 | 177.8 | -64.7 | -13.7 | 0 | 0 | 0 | 114 | P90 | P90-N92 PolarHBondContact O-N 2.77Š|
| 93 | L | 85.9 | Confident | 86.8 | Confident | 80 Ų | 80 | 61 Ų | 61 | 42% | 0.419 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -108.7 | 8.4 | -178.6 | -65.8 | 174.2 | 0 | 0 | 0 | 112.8 | L89 P90 P91 L96 T97 | L89-L93 HydrophobicContact CB-CB 4.03Å; L89-L93 HydrophobicContact CD2-CB 3.82Å; L89-L93 HydrophobicContact CD2-CD1 3.82Å; L89-L93 HydrophobicContact CD2-CG 4.46Å; P90-L93 PolarHBondContact O-N 2.86Å; P91-L93 PolarHBondContact O-N 2.92Å; L93-L96 VanDerWaalsContact O-CB 3.27Å; L93-L96 WeakPolarHBondContact O-CB 3.42Å; L93-L96 PolarHBondContact O-N 3.02Å; L93-T97 PolarHBondContact O-N 2.88Å |
| 94 | T | 84.1 | Confident | 87 | Confident | 27 Ų | 27 | 61.8 Ų | 61.8 | 17% | 0.166 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -50.7 | -40.6 | 171.7 | 51.2 | 0 | 0 | 0 | 0 | 115 | P90 P91 L96 T97 I98 | P90-T94 PolarHBondContact O-N 3.33Å; P91-T94 WeakPolarHBondContact O-CB 3.37Å; P91-T94 VanDerWaalsContact O-CG2 3.29Å; P91-T94 WeakPolarHBondContact O-CG2 3.39Å; P91-T94 PolarHBondContact O-N 3.31Å; P91-T94 PolarHBondContact O-OG1 2.93Å; T94-L96 VanDerWaalsContact C-N 3.25Å; T94-L96 PolarHBondContact O-N 3.43Å; T94-T97 PolarHBondContact O-N 3.39Å; T94-I98 WeakPolarHBondContact O-CG1 3.48Å; T94-I98 PolarHBondContact O-N 3.08Å |
| 95 | P | 87.8 | Confident | 87.2 | Confident | 82 Ų | 82 | 59.8 Ų | 59.8 | 53% | 0.532 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.3 | -32.8 | 176.5 | 24.5 | -35.3 | 0 | 0 | 0 | 112.3 | I98 T99 | P95-I98 PolarHBondContact O-N 2.94Å; P95-T99 VanDerWaalsContact O-CG2 3.31Å; P95-T99 WeakPolarHBondContact O-CG2 3.41Å; P95-T99 PolarHBondContact O-N 3.21Å; P95-T99 PolarHBondContact O-OG1 3.43Å |
| 96 | L | 89.7 | Confident | 87.3 | Confident | 85 Ų | 85 | 65.1 Ų | 65.1 | 45% | 0.445 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 175.5 | -176.5 | 68.4 | 0 | 0 | 0 | 110.4 | L89 L93 T94 I98 T99 L100 | L89-L96 HydrophobicContact CD2-CD2 4.32Å; L93-L96 VanDerWaalsContact O-CB 3.27Å; L93-L96 WeakPolarHBondContact O-CB 3.42Å; L93-L96 PolarHBondContact O-N 3.02Å; T94-L96 VanDerWaalsContact C-N 3.25Å; T94-L96 PolarHBondContact O-N 3.43Å; L96-I98 VanDerWaalsContact C-N 3.34Å; L96-I98 PolarHBondContact O-N 2.69Å; L96-T99 WeakPolarHBondContact CA-OG1 3.31Å; L96-T99 PolarHBondContact O-N 3.29Å; L96-T99 PolarHBondContact O-OG1 3.31Å; L96-L100 HydrophobicContact CG-CD1 4.45Å; L96-L100 WeakPolarHBondContact O-CG 3.44Å; L96-L100 PolarHBondContact O-N 2.91Å |
| 97 | T | 88.3 | Confident | 87.4 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.018 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 176.9 | -44.1 | 0 | 0 | 0 | 0 | 111.8 | L84 L88 L89 L93 T94 T99 L100 C101 | L84-T97 WeakPolarHBondContact O-CG2 3.31Å; L88-T97 HydrophobicContact CD2-CG2 4.44Å; L89-T97 HydrophobicContact CD1-CG2 4.47Å; L89-T97 VanDerWaalsContact CD1-OG1 3.28Å; L89-T97 WeakPolarHBondContact CD1-OG1 3.49Å; L93-T97 PolarHBondContact O-N 2.88Å; T94-T97 PolarHBondContact O-N 3.39Å; T97-T99 VanDerWaalsContact C-N 3.34Å; T97-T99 PolarHBondContact O-N 2.93Å; T97-L100 PolarHBondContact O-N 3.35Å; T97-C101 PolarHBondContact O-N 2.93Å; T97-C101 PolarHBondContact O-SG 3.21Å; T97-C101 VanDerWaalsContact O-SG 3.35Å |
| 98 | I | 88.4 | Confident | 87.6 | Confident | 35 Ų | 35 | 64.6 Ų | 64.6 | 18% | 0.179 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 177.2 | -64.8 | 168.1 | 0 | 0 | 0 | 110.5 | T94 P95 L96 L100 C101 I102 V456 | T94-I98 WeakPolarHBondContact O-CG1 3.48Å; T94-I98 PolarHBondContact O-N 3.08Å; P95-I98 PolarHBondContact O-N 2.94Å; L96-I98 VanDerWaalsContact C-N 3.34Å; L96-I98 PolarHBondContact O-N 2.69Å; I98-L100 VanDerWaalsContact C-N 3.33Å; I98-L100 PolarHBondContact O-N 3.45Å; I98-C101 WeakPolarHBondContact O-CB 3.37Å; I98-C101 PolarHBondContact O-N 2.52Å; I98-I102 HydrophobicContact CG2-CD1 4.03Å; I98-I102 WeakPolarHBondContact O-CG1 3.44Å; I98-I102 PolarHBondContact O-N 3.21Å; I98-V456 HydrophobicContact CD1-CG1 4.25Å |
| 99 | T | 89.8 | Confident | 87.7 | Confident | 73 Ų | 73 | 61.5 Ų | 61.5 | 45% | 0.448 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 176.1 | 58.3 | 0 | 0 | 0 | 0 | 112.7 | P95 L96 T97 I102 V103 | P95-T99 VanDerWaalsContact O-CG2 3.31Å; P95-T99 WeakPolarHBondContact O-CG2 3.41Å; P95-T99 PolarHBondContact O-N 3.21Å; P95-T99 PolarHBondContact O-OG1 3.43Å; L96-T99 WeakPolarHBondContact CA-OG1 3.31Å; L96-T99 PolarHBondContact O-N 3.29Å; L96-T99 PolarHBondContact O-OG1 3.31Å; T97-T99 VanDerWaalsContact C-N 3.34Å; T97-T99 PolarHBondContact O-N 2.93Å; T99-I102 PolarHBondContact O-N 3.27Å; T99-V103 WeakPolarHBondContact O-CG2 3.46Å; T99-V103 PolarHBondContact O-N 2.94Å |
| 100 | L | 91 | Very high | 87.7 | Confident | 100 Ų | 100 | 61.8 Ų | 61.8 | 52% | 0.524 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 174.2 | -69.5 | 173 | 0 | 0 | 0 | 111.6 | L96 T97 I98 I102 V103 W104 | L96-L100 HydrophobicContact CG-CD1 4.45Å; L96-L100 WeakPolarHBondContact O-CG 3.44Å; L96-L100 PolarHBondContact O-N 2.91Å; T97-L100 PolarHBondContact O-N 3.35Å; I98-L100 VanDerWaalsContact C-N 3.33Å; I98-L100 PolarHBondContact O-N 3.45Å; L100-I102 VanDerWaalsContact C-N 3.34Å; L100-I102 PolarHBondContact O-N 3.21Å; L100-V103 PolarHBondContact O-N 3.48Å; L100-W104 WeakPolarHBondContact O-CB 3.4Å; L100-W104 PolarHBondContact O-N 3.34Å |
| 101 | C | 90.5 | Very high | 87.9 | Confident | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.034 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 173.4 | -69.9 | 0 | 0 | 0 | 0 | 112.2 | T97 I98 W104 L105 L449 M452 | T97-C101 PolarHBondContact O-N 2.93Å; T97-C101 PolarHBondContact O-SG 3.21Å; T97-C101 VanDerWaalsContact O-SG 3.35Å; I98-C101 WeakPolarHBondContact O-CB 3.37Å; I98-C101 PolarHBondContact O-N 2.52Å; C101-W104 PolarHBondContact O-N 3.28Å; C101-L105 WeakPolarHBondContact O-CB 3.29Å; C101-L105 PolarHBondContact O-N 3.25Å; C101-L449 HydrophobicContact CB-CD2 3.77Å; C101-M452 HydrophobicContact CB-CE 3.7Å |
| 102 | I | 90.3 | Very high | 88.3 | Confident | 72 Ų | 72 | 56.4 Ų | 56.4 | 37% | 0.369 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.4 | -41.4 | 175.3 | -66.9 | 167 | 0 | 0 | 0 | 111 | I98 T99 L100 W104 L105 L106 L453 | I98-I102 HydrophobicContact CG2-CD1 4.03Å; I98-I102 WeakPolarHBondContact O-CG1 3.44Å; I98-I102 PolarHBondContact O-N 3.21Å; T99-I102 PolarHBondContact O-N 3.27Å; L100-I102 VanDerWaalsContact C-N 3.34Å; L100-I102 PolarHBondContact O-N 3.21Å; I102-W104 VanDerWaalsContact C-N 3.3Å; I102-W104 PolarHBondContact O-N 3.04Å; I102-L105 WeakPolarHBondContact O-CB 3.14Å; I102-L105 PolarHBondContact O-N 3.35Å; I102-L106 WeakPolarHBondContact O-CG 3.34Å; I102-L106 PolarHBondContact O-N 3.28Å; I102-L453 HydrophobicContact CG1-CD2 4.33Å |
| 103 | V | 90.7 | Very high | 88.3 | Confident | 93 Ų | 93 | 50.2 Ų | 50.2 | 56% | 0.564 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.8 | -40.5 | 174.7 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | T99 L100 L106 A107 | T99-V103 WeakPolarHBondContact O-CG2 3.46Å; T99-V103 PolarHBondContact O-N 2.94Å; L100-V103 PolarHBondContact O-N 3.48Å; V103-L106 PolarHBondContact O-N 2.96Å; V103-A107 PolarHBondContact O-N 2.91Å |
| 104 | W | 91.7 | Very high | 88.3 | Confident | 100 Ų | 100 | 47.1 Ų | 47.1 | 38% | 0.379 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 174.9 | 178.9 | -122.3 | 0 | 0 | 0 | 112.3 | Y81 L100 C101 I102 L106 A107 L108 I111 | Y81-W104 AromaticContact CE1-CD1 3.81Å; Y81-W104 AromaticContact CZ-NE1 3.9Å; Y81-W104 PolarHBondContact OH-NE1 3.38Å; L100-W104 WeakPolarHBondContact O-CB 3.4Å; L100-W104 PolarHBondContact O-N 3.34Å; C101-W104 PolarHBondContact O-N 3.28Å; I102-W104 VanDerWaalsContact C-N 3.3Å; I102-W104 PolarHBondContact O-N 3.04Å; W104-L106 VanDerWaalsContact C-N 3.31Å; W104-L106 PolarHBondContact O-N 2.99Å; W104-A107 HydrophobicContact CE3-CB 4.04Å; W104-A107 HydrophobicContact CZ3-CB 4.37Å; W104-A107 CarbonylContact O-C 3.58Å; W104-A107 WeakPolarHBondContact O-CA 3.49Å; W104-A107 WeakPolarHBondContact O-CB 3.25Å; W104-A107 PolarHBondContact O-N 3.29Å; W104-L108 HydrophobicContact CD2-CG 4.38Å; W104-L108 HydrophobicContact CH2-CD2 4.38Å; W104-L108 HydrophobicContact CZ2-CD2 3.8Å; W104-L108 HydrophobicContact CZ2-CG 4.12Å; W104-L108 PolarHBondContact O-N 3.41Å; W104-I111 HydrophobicContact CH2-CD1 4.42Å |
| 105 | L | 90.1 | Very high | 88.5 | Confident | 16 Ų | 16 | 45.9 Ų | 45.9 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.9 | -45.2 | 172.5 | -179 | 65.7 | 0 | 0 | 0 | 111.6 | C101 I102 A107 L108 F109 V446 L449 L453 | C101-L105 WeakPolarHBondContact O-CB 3.29Å; C101-L105 PolarHBondContact O-N 3.25Å; I102-L105 WeakPolarHBondContact O-CB 3.14Å; I102-L105 PolarHBondContact O-N 3.35Å; L105-A107 VanDerWaalsContact C-N 3.31Å; L105-A107 PolarHBondContact O-N 3.09Å; L105-L108 PolarHBondContact O-N 2.96Å; L105-F109 HydrophobicContact CD1-CE2 3.89Å; L105-F109 HydrophobicContact CD1-CZ 3.95Å; L105-F109 HydrophobicContact CD2-CE2 4.19Å; L105-F109 HydrophobicContact CG-CD2 4.27Å; L105-F109 HydrophobicContact CG-CE2 3.67Å; L105-F109 HydrophobicContact CG-CZ 4.23Å; L105-F109 VanDerWaalsContact O-CD2 3.3Å; L105-F109 WeakPolarHBondContact O-CD2 3.39Å; L105-F109 PolarHBondContact O-N 2.59Å; L105-F109 VanDerWaalsContact O-N 3.08Å; L105-V446 HydrophobicContact CD1-CB 4.28Å; L105-V446 HydrophobicContact CD1-CG1 3.96Å; L105-V446 HydrophobicContact CD1-CG2 4.1Å; L105-L449 HydrophobicContact CB-CD1 3.97Å; L105-L449 HydrophobicContact CD1-CB 4.06Å; L105-L449 HydrophobicContact CD1-CD1 4.01Å; L105-L453 HydrophobicContact CD2-CD1 4Å |
| 106 | L | 88.1 | Confident | 88.3 | Confident | 113 Ų | 113 | 42 Ų | 42 | 59% | 0.592 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -63.8 | -36.2 | 175.3 | -67.5 | 173.6 | 0 | 0 | 0 | 112.4 | I102 V103 W104 L110 | I102-L106 WeakPolarHBondContact O-CG 3.34Å; I102-L106 PolarHBondContact O-N 3.28Å; V103-L106 PolarHBondContact O-N 2.96Å; W104-L106 VanDerWaalsContact C-N 3.31Å; W104-L106 PolarHBondContact O-N 2.99Å; L106-L110 PolarHBondContact O-N 3.22Å |
| 107 | A | 88.4 | Confident | 87.9 | Confident | 35 Ų | 35 | 39.6 Ų | 39.6 | 29% | 0.289 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.6 | -42.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V103 W104 L105 F109 L110 I111 | V103-A107 PolarHBondContact O-N 2.91Å; W104-A107 HydrophobicContact CE3-CB 4.04Å; W104-A107 HydrophobicContact CZ3-CB 4.37Å; W104-A107 CarbonylContact O-C 3.58Å; W104-A107 WeakPolarHBondContact O-CA 3.49Å; W104-A107 WeakPolarHBondContact O-CB 3.25Å; W104-A107 PolarHBondContact O-N 3.29Å; L105-A107 VanDerWaalsContact C-N 3.31Å; L105-A107 PolarHBondContact O-N 3.09Å; A107-F109 PolarHBondContact O-N 3.42Å; A107-L110 CarbonylContact O-C 3.57Å; A107-L110 WeakPolarHBondContact O-CA 3.48Å; A107-L110 WeakPolarHBondContact O-CB 3.25Å; A107-L110 PolarHBondContact O-N 3.08Å; A107-L110 VanDerWaalsContact O-N 3.09Å; A107-I111 WeakPolarHBondContact O-CG1 3.34Å; A107-I111 PolarHBondContact O-N 3.16Å |
| 108 | L | 89.3 | Confident | 87.7 | Confident | 6 Ų | 6 | 44.5 Ų | 44.5 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.4 | -41.2 | 175.5 | -71.9 | 167.2 | 0 | 0 | 0 | 112.4 | W104 L105 L110 I111 L112 A442 E445 V446 L449 | W104-L108 HydrophobicContact CD2-CG 4.38Å; W104-L108 HydrophobicContact CH2-CD2 4.38Å; W104-L108 HydrophobicContact CZ2-CD2 3.8Å; W104-L108 HydrophobicContact CZ2-CG 4.12Å; W104-L108 PolarHBondContact O-N 3.41Å; L105-L108 PolarHBondContact O-N 2.96Å; L108-L110 PolarHBondContact O-N 3.47Å; L108-I111 HydrophobicContact CD2-CD1 4.11Å; L108-I111 WeakPolarHBondContact O-CA 3.4Å; L108-I111 WeakPolarHBondContact O-CB 2.96Å; L108-I111 PolarHBondContact O-N 3.02Å; L108-I111 VanDerWaalsContact O-N 3.1Å; L108-L112 WeakPolarHBondContact O-CG 3.47Å; L108-L112 PolarHBondContact O-N 3.32Å; L108-A442 HydrophobicContact CD2-CB 4.45Å; L108-E445 HydrophobicContact CD1-CB 3.66Å; L108-E445 HydrophobicContact CD2-CB 4Å; L108-V446 HydrophobicContact CB-CG2 3.73Å; L108-V446 HydrophobicContact CD1-CG2 4.14Å; L108-L449 HydrophobicContact CD1-CD1 3.45Å; L108-L449 VanDerWaalsContact CD1-CD1 3.45Å |
| 109 | F | 86.9 | Confident | 87.7 | Confident | 41 Ų | 41 | 43 Ų | 43 | 18% | 0.18 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61 | -36.3 | 172.8 | -71.4 | -45.4 | 0 | 0 | 0 | 113 | L105 A107 L112 G113 V446 I475 F479 | L105-F109 HydrophobicContact CD1-CE2 3.89Å; L105-F109 HydrophobicContact CD1-CZ 3.95Å; L105-F109 HydrophobicContact CD2-CE2 4.19Å; L105-F109 HydrophobicContact CG-CD2 4.27Å; L105-F109 HydrophobicContact CG-CE2 3.67Å; L105-F109 HydrophobicContact CG-CZ 4.23Å; L105-F109 VanDerWaalsContact O-CD2 3.3Å; L105-F109 WeakPolarHBondContact O-CD2 3.39Å; L105-F109 PolarHBondContact O-N 2.59Å; L105-F109 VanDerWaalsContact O-N 3.08Å; A107-F109 PolarHBondContact O-N 3.42Å; F109-L112 HydrophobicContact CD1-CD1 4.13Å; F109-G113 PolarHBondContact O-N 2.9Å; F109-G113 VanDerWaalsContact O-N 3.07Å; F109-V446 HydrophobicContact CD1-CG2 4.31Å; F109-V446 HydrophobicContact CE1-CG1 3.72Å; F109-V446 HydrophobicContact CE1-CG2 4.01Å; F109-V446 HydrophobicContact CZ-CG1 3.89Å; F109-I475 HydrophobicContact CD1-CG1 4.31Å; F109-I475 HydrophobicContact CE1-CD1 4.33Å; F109-I475 HydrophobicContact CE1-CG1 3.59Å; F109-I475 HydrophobicContact CZ-CG1 4.49Å; F109-F479 HydrophobicContact CB-CE2 4.42Å; F109-F479 HydrophobicContact CB-CZ 4.02Å; F109-F479 AromaticContact CD1-CE2 3.53Å; F109-F479 HydrophobicContact CD1-CE2 3.53Å; F109-F479 AromaticContact CD1-CZ 3.92Å; F109-F479 HydrophobicContact CD1-CZ 3.92Å; F109-F479 HydrophobicContact CE1-CE2 4.19Å; F109-F479 HydrophobicContact CG-CE2 4.28Å; F109-F479 HydrophobicContact CG-CZ 4.21Å |
| 110 | L | 85.4 | Confident | 87.5 | Confident | 49 Ų | 49 | 39.5 Ų | 39.5 | 26% | 0.257 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -70.1 | -36.4 | 174.9 | 179.2 | 152.6 | 0 | 0 | 0 | 111.4 | L106 A107 L108 L114 K337 L340 | L106-L110 PolarHBondContact O-N 3.22Å; A107-L110 CarbonylContact O-C 3.57Å; A107-L110 WeakPolarHBondContact O-CA 3.48Å; A107-L110 WeakPolarHBondContact O-CB 3.25Å; A107-L110 PolarHBondContact O-N 3.08Å; A107-L110 VanDerWaalsContact O-N 3.09Å; L108-L110 PolarHBondContact O-N 3.47Å; L110-L114 HydrophobicContact CD2-CD1 3.64Å; L110-L114 HydrophobicContact CD2-CG 4.42Å; L110-L114 HydrophobicContact CG-CD1 4.4Å; L110-L114 WeakPolarHBondContact O-CB 3.5Å; L110-L114 VanDerWaalsContact O-CG 3.29Å; L110-L114 WeakPolarHBondContact O-CG 3.24Å; L110-L114 PolarHBondContact O-N 3.19Å; L110-K337 HydrophobicContact CD1-CD 4.31Å; L110-K337 VanDerWaalsContact CD1-CE 3.5Å; L110-K337 HydrophobicContact CD1-CG 3.74Å; L110-K337 HydrophobicContact CD2-CG 3.99Å; L110-K337 HydrophobicContact CG-CG 4.13Å; L110-L340 HydrophobicContact CD2-CD2 3.33Å |
| 111 | I | 87.8 | Confident | 87 | Confident | 22 Ų | 22 | 35 Ų | 35 | 11% | 0.113 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60 | -52.1 | 171.4 | -64.6 | 166.9 | 0 | 0 | 0 | 110.5 | W104 A107 L108 G113 L114 A115 L340 A442 | W104-I111 HydrophobicContact CH2-CD1 4.42Å; A107-I111 WeakPolarHBondContact O-CG1 3.34Å; A107-I111 PolarHBondContact O-N 3.16Å; L108-I111 HydrophobicContact CD2-CD1 4.11Å; L108-I111 WeakPolarHBondContact O-CA 3.4Å; L108-I111 WeakPolarHBondContact O-CB 2.96Å; L108-I111 PolarHBondContact O-N 3.02Å; L108-I111 VanDerWaalsContact O-N 3.1Å; I111-G113 VanDerWaalsContact C-N 3.35Å; I111-G113 PolarHBondContact O-N 2.88Å; I111-L114 PolarHBondContact O-N 2.81Å; I111-A115 VanDerWaalsContact O-CB 3.3Å; I111-A115 WeakPolarHBondContact O-CB 3.27Å; I111-A115 PolarHBondContact O-N 3.18Å; I111-L340 HydrophobicContact CB-CD2 4.11Å; I111-L340 HydrophobicContact CD1-CD1 3.97Å; I111-L340 HydrophobicContact CD1-CD2 4.27Å; I111-L340 HydrophobicContact CG1-CD1 3.55Å; I111-L340 HydrophobicContact CG1-CD2 3.21Å; I111-L340 HydrophobicContact CG1-CG 3.93Å; I111-L340 HydrophobicContact CG2-CD1 4.47Å; I111-A442 HydrophobicContact CG2-CB 4.28Å |
| 112 | L | 87.3 | Confident | 86.7 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -54.4 | -49.7 | 178.4 | -75.3 | 166.8 | 0 | 0 | 0 | 111.6 | L108 F109 L114 A115 A116 I439 A442 A443 V446 I475 F479 | L108-L112 WeakPolarHBondContact O-CG 3.47Å; L108-L112 PolarHBondContact O-N 3.32Å; F109-L112 HydrophobicContact CD1-CD1 4.13Å; L112-L114 PolarHBondContact O-N 2.96Å; L112-A115 PolarHBondContact O-N 3.41Å; L112-A116 VanDerWaalsContact O-CB 3.3Å; L112-A116 WeakPolarHBondContact O-CB 3.49Å; L112-A116 PolarHBondContact O-N 3.22Å; L112-I439 HydrophobicContact CD2-CB 4.4Å; L112-I439 HydrophobicContact CD2-CG2 3.89Å; L112-I439 VanDerWaalsContact CD2-O 3.25Å; L112-I439 WeakPolarHBondContact CD2-O 3.35Å; L112-A442 HydrophobicContact CD2-CB 3.76Å; L112-A442 HydrophobicContact CG-CB 3.95Å; L112-A443 HydrophobicContact CD2-CB 4.43Å; L112-V446 HydrophobicContact CD1-CG2 4.03Å; L112-I475 HydrophobicContact CD1-CG2 4.04Å; L112-F479 HydrophobicContact CB-CB 4.37Å; L112-F479 HydrophobicContact CB-CD2 4.23Å; L112-F479 HydrophobicContact CB-CG 4.24Å; L112-F479 HydrophobicContact CD1-CD2 4.36Å |
| 113 | G | 83.3 | Confident | 86.5 | Confident | 17 Ų | 17 | 32.2 Ų | 32.2 | 18% | 0.175 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.3 | -36.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F109 I111 S117 | F109-G113 PolarHBondContact O-N 2.9Å; F109-G113 VanDerWaalsContact O-N 3.07Å; I111-G113 VanDerWaalsContact C-N 3.35Å; I111-G113 PolarHBondContact O-N 2.88Å; G113-S117 VanDerWaalsContact O-CB 3.27Å; G113-S117 WeakPolarHBondContact O-CB 3.46Å; G113-S117 PolarHBondContact O-N 2.83Å; G113-S117 VanDerWaalsContact O-N 3.09Å; G113-S117 PolarHBondContact O-OG 2.91Å |
| 114 | L | 85.3 | Confident | 86.2 | Confident | 15 Ų | 15 | 27.9 Ų | 27.9 | 8% | 0.079 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -72.5 | -46.4 | 176.7 | -72.7 | 176.8 | 0 | 0 | 0 | 111.8 | L110 I111 L112 A116 S117 K118 K337 L340 L344 | L110-L114 HydrophobicContact CD2-CD1 3.64Å; L110-L114 HydrophobicContact CD2-CG 4.42Å; L110-L114 HydrophobicContact CG-CD1 4.4Å; L110-L114 WeakPolarHBondContact O-CB 3.5Å; L110-L114 VanDerWaalsContact O-CG 3.29Å; L110-L114 WeakPolarHBondContact O-CG 3.24Å; L110-L114 PolarHBondContact O-N 3.19Å; I111-L114 PolarHBondContact O-N 2.81Å; L112-L114 PolarHBondContact O-N 2.96Å; L114-A116 VanDerWaalsContact C-N 3.33Å; L114-A116 PolarHBondContact O-N 3.29Å; L114-S117 PolarHBondContact O-N 3.21Å; L114-S117 PolarHBondContact O-OG 3.2Å; L114-K118 WeakPolarHBondContact O-CB 3.44Å; L114-K118 PolarHBondContact O-N 2.85Å; L114-K337 HydrophobicContact CD1-CB 4.29Å; L114-K337 HydrophobicContact CD1-CG 4.26Å; L114-L340 HydrophobicContact CD1-CD2 3.85Å; L114-L340 HydrophobicContact CD1-CG 4.39Å; L114-L344 HydrophobicContact CB-CD1 4.1Å |
| 115 | A | 87.8 | Confident | 85.7 | Confident | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.008 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.3 | -48.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | I111 L112 F119 F120 L438 I439 | I111-A115 VanDerWaalsContact O-CB 3.3Å; I111-A115 WeakPolarHBondContact O-CB 3.27Å; I111-A115 PolarHBondContact O-N 3.18Å; L112-A115 PolarHBondContact O-N 3.41Å; A115-F119 WeakPolarHBondContact O-CB 3.39Å; A115-F119 PolarHBondContact O-N 2.63Å; A115-F120 PolarHBondContact O-N 3.19Å; A115-L438 HydrophobicContact CB-CD2 4.24Å; A115-I439 HydrophobicContact CB-CD1 4.44Å; A115-I439 HydrophobicContact CB-CG1 3.81Å |
| 116 | A | 84.7 | Confident | 85.5 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | I | π-helix | trans | -59.6 | -54.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | L112 L114 F120 C121 I439 T483 | L112-A116 VanDerWaalsContact O-CB 3.3Å; L112-A116 WeakPolarHBondContact O-CB 3.49Å; L112-A116 PolarHBondContact O-N 3.22Å; L114-A116 VanDerWaalsContact C-N 3.33Å; L114-A116 PolarHBondContact O-N 3.29Å; A116-F120 PolarHBondContact O-N 2.99Å; A116-C121 PolarHBondContact O-N 3.18Å; A116-C121 VanDerWaalsContact O-N 3.08Å; A116-C121 PolarHBondContact O-SG 3Å; A116-I439 HydrophobicContact CB-CD1 4.3Å; A116-T483 HydrophobicContact CB-CG2 4.48Å |
| 117 | S | 81.9 | Confident | 85.3 | Confident | 34 Ų | 34 | 18.7 Ų | 18.7 | 24% | 0.238 | 11% | 0.108 | C | C | . | . | I | π-helix | trans | -74.7 | -36 | -169 | 60.8 | 0 | 0 | 0 | 0 | 115.5 | G113 L114 Q487 | G113-S117 VanDerWaalsContact O-CB 3.27Å; G113-S117 WeakPolarHBondContact O-CB 3.46Å; G113-S117 PolarHBondContact O-N 2.83Å; G113-S117 VanDerWaalsContact O-N 3.09Å; G113-S117 PolarHBondContact O-OG 2.91Å; L114-S117 PolarHBondContact O-N 3.21Å; L114-S117 PolarHBondContact O-OG 3.2Å; S117-Q487 PolarHBondContact O-NE2 3.37Å |
| 118 | K | 83 | Confident | 85 | Confident | 106 Ų | 106 | 17.3 Ų | 17.3 | 46% | 0.461 | 10% | 0.096 | S | C | . | . | I | π-helix | trans | -97.1 | -24.7 | -172.2 | -69 | -64.7 | -168.8 | 172.7 | 0 | 113.6 | L114 | L114-K118 WeakPolarHBondContact O-CB 3.44Å; L114-K118 PolarHBondContact O-N 2.85Å |
| 119 | F | 87.6 | Confident | 84.6 | Confident | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.009 | 11% | 0.114 | C | C | . | . | I | π-helix | trans | -122 | -55.8 | -170 | -55.1 | -88.6 | 0 | 0 | 0 | 111.5 | A115 N123 L344 L345 V348 V350 | A115-F119 WeakPolarHBondContact O-CB 3.39Å; A115-F119 PolarHBondContact O-N 2.63Å; F119-N123 WeakPolarHBondContact O-CB 3.34Å; F119-N123 VanDerWaalsContact O-CG 3.28Å; F119-N123 PolarHBondContact O-N 3.29Å; F119-N123 PolarHBondContact O-ND2 3.4Å; F119-L344 HydrophobicContact CD2-CB 4.32Å; F119-L344 HydrophobicContact CE1-CB 4.16Å; F119-L344 HydrophobicContact CE2-CB 3.44Å; F119-L344 VanDerWaalsContact CE2-CB 3.44Å; F119-L344 HydrophobicContact CE2-CD1 3.87Å; F119-L344 HydrophobicContact CE2-CG 4.27Å; F119-L344 HydrophobicContact CZ-CB 3.35Å; F119-L345 HydrophobicContact CE1-CD2 3.85Å; F119-L345 HydrophobicContact CE1-CG 4.17Å; F119-L345 HydrophobicContact CZ-CD2 4.04Å; F119-L345 HydrophobicContact CZ-CG 3.98Å; F119-V348 HydrophobicContact CB-CB 4.42Å; F119-V348 HydrophobicContact CB-CG1 3.82Å; F119-V348 HydrophobicContact CD1-CB 3.61Å; F119-V348 HydrophobicContact CD1-CG1 3.82Å; F119-V348 HydrophobicContact CD1-CG2 4.42Å; F119-V348 HydrophobicContact CE1-CB 4.2Å; F119-V348 HydrophobicContact CG-CB 4.19Å; F119-V348 HydrophobicContact CG-CG1 4.13Å; F119-V350 HydrophobicContact CB-CG2 4.33Å; F119-V350 HydrophobicContact CD1-CG2 3.23Å; F119-V350 HydrophobicContact CE1-CG2 3.79Å; F119-V350 HydrophobicContact CG-CG2 4.12Å |
| 120 | F | 85.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | I | π-helix | trans | -66.8 | -49.5 | -173 | -177.9 | -105.6 | 0 | 0 | 0 | 113 | A115 A116 L124 L143 F432 S435 A436 I439 I484 | A115-F120 PolarHBondContact O-N 3.19Å; A116-F120 PolarHBondContact O-N 2.99Å; F120-L124 HydrophobicContact CE1-CD2 4.37Å; F120-L124 VanDerWaalsContact O-CB 3.29Å; F120-L124 WeakPolarHBondContact O-CB 3.44Å; F120-L124 PolarHBondContact O-N 3.28Å; F120-L143 HydrophobicContact CD1-CD1 4.42Å; F120-L143 HydrophobicContact CE1-CD1 3.16Å; F120-L143 HydrophobicContact CZ-CD1 3.4Å; F120-F432 AromaticContact CD2-CD2 3.95Å; F120-F432 HydrophobicContact CD2-CD2 3.95Å; F120-F432 AromaticContact CD2-CE2 3.97Å; F120-F432 HydrophobicContact CD2-CE2 3.97Å; F120-F432 AromaticContact CE2-CD2 3.68Å; F120-F432 HydrophobicContact CE2-CD2 3.68Å; F120-F432 AromaticContact CE2-CE2 3.22Å; F120-F432 HydrophobicContact CE2-CE2 3.22Å; F120-F432 AromaticContact CE2-CZ 3.92Å; F120-F432 HydrophobicContact CE2-CZ 3.92Å; F120-F432 HydrophobicContact CZ-CD2 4.4Å; F120-F432 AromaticContact CZ-CE2 3.63Å; F120-F432 HydrophobicContact CZ-CE2 3.63Å; F120-F432 HydrophobicContact CZ-CZ 4.32Å; F120-S435 WeakPolarHBondContact CA-OG 3.42Å; F120-S435 WeakPolarHBondContact CD2-OG 3.34Å; F120-A436 HydrophobicContact CD2-CB 4.5Å; F120-A436 HydrophobicContact CE2-CB 4.08Å; F120-I439 HydrophobicContact CB-CD1 3.93Å; F120-I439 HydrophobicContact CD1-CD1 4.35Å; F120-I439 HydrophobicContact CD2-CD1 4.13Å; F120-I439 HydrophobicContact CG-CD1 3.92Å; F120-I484 HydrophobicContact CE1-CD1 4.44Å |
| 121 | C | 80.3 | Confident | 84 | Confident | 5 Ų | 5 | 23.5 Ų | 23.5 | 3% | 0.034 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.1 | -45.3 | -176.7 | -51.7 | 0 | 0 | 0 | 0 | 114.1 | A116 N123 L124 S125 I484 | A116-C121 PolarHBondContact O-N 3.18Å; A116-C121 VanDerWaalsContact O-N 3.08Å; A116-C121 PolarHBondContact O-SG 3Å; C121-N123 PolarHBondContact O-N 3.32Å; C121-L124 PolarHBondContact O-N 3.08Å; C121-S125 PolarHBondContact O-N 3.08Å; C121-I484 HydrophobicContact CB-CG1 4.26Å; C121-I484 WeakPolarHBondContact SG-CG1 3.48Å |
| 122 | P | 84.1 | Confident | 83.5 | Confident | 19 Ų | 19 | 30.5 Ų | 30.5 | 12% | 0.123 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.2 | -42.2 | 177.2 | -25.1 | 36.2 | 0 | 0 | 0 | 112.8 | L124 S125 A126 V350 V351 | P122-L124 VanDerWaalsContact C-N 3.32Å; P122-L124 PolarHBondContact O-N 3.29Å; P122-S125 WeakPolarHBondContact O-CB 3.4Å; P122-S125 PolarHBondContact O-N 3.27Å; P122-A126 PolarHBondContact O-N 2.96Å; P122-V350 HydrophobicContact CB-CG1 4.17Å; P122-V351 CarbonylContact C-O 3.59Å |
| 123 | N | 87.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.8 | -40 | 176.4 | -76.4 | -31.9 | 0 | 0 | 0 | 112 | F119 C121 A126 I127 P349 V350 V351 A428 G431 F432 | F119-N123 WeakPolarHBondContact O-CB 3.34Å; F119-N123 VanDerWaalsContact O-CG 3.28Å; F119-N123 PolarHBondContact O-N 3.29Å; F119-N123 PolarHBondContact O-ND2 3.4Å; C121-N123 PolarHBondContact O-N 3.32Å; N123-A126 PolarHBondContact O-N 3.05Å; N123-I127 VanDerWaalsContact O-CG1 3.25Å; N123-I127 WeakPolarHBondContact O-CG1 3.23Å; N123-I127 PolarHBondContact O-N 3.31Å; N123-P349 PolarHBondContact ND2-O 3.04Å; N123-P349 PolarHBondContact OD1-O 3.47Å; N123-V350 WeakPolarHBondContact OD1-CA 3.43Å; N123-V351 PolarHBondContact OD1-N 3.39Å; N123-A428 WeakPolarHBondContact CB-O 3.39Å; N123-G431 VanDerWaalsContact ND2-CA 3.34Å; N123-G431 WeakPolarHBondContact ND2-CA 3.36Å; N123-F432 HydrophobicContact CB-CB 4.19Å |
| 124 | L | 84.2 | Confident | 82.4 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.1 | -38.9 | 175.4 | -178 | 58.8 | 0 | 0 | 0 | 112.5 | F120 C121 P122 I127 S128 F142 L143 F432 I484 M492 | F120-L124 HydrophobicContact CE1-CD2 4.37Å; F120-L124 VanDerWaalsContact O-CB 3.29Å; F120-L124 WeakPolarHBondContact O-CB 3.44Å; F120-L124 PolarHBondContact O-N 3.28Å; C121-L124 PolarHBondContact O-N 3.08Å; P122-L124 VanDerWaalsContact C-N 3.32Å; P122-L124 PolarHBondContact O-N 3.29Å; L124-I127 PolarHBondContact O-N 3.11Å; L124-S128 WeakPolarHBondContact O-CB 3.41Å; L124-S128 PolarHBondContact O-N 2.71Å; L124-F142 HydrophobicContact CD1-CB 3.76Å; L124-L143 HydrophobicContact CD2-CB 4.06Å; L124-L143 HydrophobicContact CD2-CD1 4.15Å; L124-L143 HydrophobicContact CD2-CD2 4.4Å; L124-L143 HydrophobicContact CD2-CG 4.47Å; L124-F432 HydrophobicContact CB-CD2 4.17Å; L124-F432 HydrophobicContact CB-CE2 4.44Å; L124-F432 HydrophobicContact CD1-CD2 4.2Å; L124-F432 HydrophobicContact CD1-CE2 3.87Å; L124-I484 HydrophobicContact CD2-CD1 4.22Å; L124-M492 HydrophobicContact CD1-CE 4.08Å; L124-M492 HydrophobicContact CD2-CE 3.19Å; L124-M492 HydrophobicContact CG-CE 3.55Å |
| 125 | S | 81.5 | Confident | 81.9 | Confident | 23 Ų | 23 | 36.9 Ų | 36.9 | 16% | 0.161 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.6 | -44.9 | 172.1 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | C121 P122 I127 S128 S129 | C121-S125 PolarHBondContact O-N 3.08Å; P122-S125 WeakPolarHBondContact O-CB 3.4Å; P122-S125 PolarHBondContact O-N 3.27Å; S125-I127 PolarHBondContact O-N 3.31Å; S125-S128 PolarHBondContact O-N 3.03Å; S125-S129 WeakPolarHBondContact O-CB 3.31Å; S125-S129 PolarHBondContact O-N 3.33Å; S125-S129 PolarHBondContact O-OG 3.4Å |
| 126 | A | 84.1 | Confident | 81.1 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.5 | -42.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P122 N123 S129 T130 V351 P353 A428 | P122-A126 PolarHBondContact O-N 2.96Å; N123-A126 PolarHBondContact O-N 3.05Å; A126-S129 PolarHBondContact O-N 3.05Å; A126-S129 PolarHBondContact O-OG 3.47Å; A126-T130 WeakPolarHBondContact O-CB 3.4Å; A126-T130 PolarHBondContact O-N 2.86Å; A126-T130 PolarHBondContact O-OG1 3.37Å; A126-V351 HydrophobicContact CB-CB 4.18Å; A126-V351 HydrophobicContact CB-CG1 3.94Å; A126-P353 HydrophobicContact CB-CG 4.49Å; A126-A428 HydrophobicContact CB-CB 3.7Å |
| 127 | I | 85.1 | Confident | 80.8 | Confident | 10 Ų | 10 | 39.6 Ų | 39.6 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.9 | -47.3 | 175 | -67.3 | 162.7 | 0 | 0 | 0 | 110.9 | N123 L124 S125 S129 T130 L131 F142 A428 F429 F432 | N123-I127 VanDerWaalsContact O-CG1 3.25Å; N123-I127 WeakPolarHBondContact O-CG1 3.23Å; N123-I127 PolarHBondContact O-N 3.31Å; L124-I127 PolarHBondContact O-N 3.11Å; S125-I127 PolarHBondContact O-N 3.31Å; I127-S129 VanDerWaalsContact C-N 3.31Å; I127-S129 PolarHBondContact O-N 3.47Å; I127-T130 PolarHBondContact O-N 3.47Å; I127-T130 VanDerWaalsContact O-N 3.16Å; I127-L131 HydrophobicContact CG2-CD1 3.68Å; I127-L131 HydrophobicContact CG2-CG 4.35Å; I127-L131 WeakPolarHBondContact O-CB 3.25Å; I127-L131 WeakPolarHBondContact O-CG 3.4Å; I127-L131 PolarHBondContact O-N 3.29Å; I127-F142 HydrophobicContact CG2-CD2 4.41Å; I127-F142 HydrophobicContact CG2-CE2 4.31Å; I127-A428 HydrophobicContact CG1-CB 4.17Å; I127-F429 HydrophobicContact CD1-CD2 4.34Å; I127-F432 HydrophobicContact CD1-CB 3.48Å; I127-F432 VanDerWaalsContact CD1-CB 3.48Å; I127-F432 HydrophobicContact CD1-CD1 4.23Å; I127-F432 HydrophobicContact CD1-CD2 4.27Å; I127-F432 HydrophobicContact CD1-CG 3.73Å |
| 128 | S | 81.8 | Confident | 80.7 | Confident | 6 Ų | 6 | 38 Ų | 38 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.5 | -41.5 | 179.7 | -170 | 0 | 0 | 0 | 0 | 111.9 | L124 S125 H132 C133 | L124-S128 WeakPolarHBondContact O-CB 3.41Å; L124-S128 PolarHBondContact O-N 2.71Å; S125-S128 PolarHBondContact O-N 3.03Å; S128-H132 PolarHBondContact O-N 3.48Å; S128-C133 PolarHBondContact O-N 3.15Å; S128-C133 PolarHBondContact OG-O 3.03Å |
| 129 | S | 80.4 | Confident | 80.4 | Confident | 60 Ų | 60 | 33 Ų | 33 | 42% | 0.42 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -68.9 | -34.2 | 176.7 | 70.3 | 0 | 0 | 0 | 0 | 112.4 | S125 A126 I127 H132 | S125-S129 WeakPolarHBondContact O-CB 3.31Å; S125-S129 PolarHBondContact O-N 3.33Å; S125-S129 PolarHBondContact O-OG 3.4Å; A126-S129 PolarHBondContact O-N 3.05Å; A126-S129 PolarHBondContact O-OG 3.47Å; I127-S129 VanDerWaalsContact C-N 3.31Å; I127-S129 PolarHBondContact O-N 3.47Å; S129-H132 PolarHBondContact O-CD2 3.29Å; S129-H132 VanDerWaalsContact O-CD2 3.24Å |
| 130 | T | 81.5 | Confident | 79.9 | Confident | 72 Ų | 72 | 33.6 Ų | 33.6 | 44% | 0.442 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -74 | -37.7 | 178.2 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | A126 I127 H132 P425 | A126-T130 WeakPolarHBondContact O-CB 3.4Å; A126-T130 PolarHBondContact O-N 2.86Å; A126-T130 PolarHBondContact O-OG1 3.37Å; I127-T130 PolarHBondContact O-N 3.47Å; I127-T130 VanDerWaalsContact O-N 3.16Å; T130-H132 VanDerWaalsContact C-N 3.33Å; T130-P425 HydrophobicContact CG2-CB 3.89Å; T130-P425 HydrophobicContact CG2-CG 4.27Å |
| 131 | L | 78.9 | Confident | 79.8 | Confident | 93 Ų | 93 | 36.1 Ų | 36.1 | 49% | 0.487 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 1.6 | -179.1 | -66 | 176.3 | 0 | 0 | 0 | 113.9 | I127 C133 F142 | I127-L131 HydrophobicContact CG2-CD1 3.68Å; I127-L131 HydrophobicContact CG2-CG 4.35Å; I127-L131 WeakPolarHBondContact O-CB 3.25Å; I127-L131 WeakPolarHBondContact O-CG 3.4Å; I127-L131 PolarHBondContact O-N 3.29Å; L131-C133 HydrophobicContact CB-CB 4.48Å; L131-C133 PolarHBondContact O-N 2.9Å; L131-C133 PolarHBondContact O-SG 2.93Å; L131-C133 VanDerWaalsContact O-SG 3.39Å; L131-F142 HydrophobicContact CD1-CE1 4.46Å; L131-F142 HydrophobicContact CD1-CE2 3.59Å; L131-F142 HydrophobicContact CD1-CZ 3.42Å; L131-F142 VanDerWaalsContact CD1-CZ 3.42Å |
| 132 | H | 78.1 | Confident | 79.8 | Confident | 169 Ų | 169 | 38.1 Ų | 38.1 | 78% | 0.782 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 31.3 | -174.2 | -65 | 176.5 | 0 | 0 | 0 | 113.5 | S128 S129 T130 | S128-H132 PolarHBondContact O-N 3.48Å; S129-H132 PolarHBondContact O-CD2 3.29Å; S129-H132 VanDerWaalsContact O-CD2 3.24Å; T130-H132 VanDerWaalsContact C-N 3.33Å |
| 133 | C | 73.1 | Confident | 79.7 | Confident | 45 Ų | 45 | 37.2 Ų | 37.2 | 30% | 0.304 | 21% | 0.207 | S | C | . | . | trans | -86.2 | 148.2 | -179.6 | -72.2 | 0 | 0 | 0 | 0 | 110.6 | S128 L131 | S128-C133 PolarHBondContact O-N 3.15Å; S128-C133 PolarHBondContact OG-O 3.03Å; L131-C133 HydrophobicContact CB-CB 4.48Å; L131-C133 PolarHBondContact O-N 2.9Å; L131-C133 PolarHBondContact O-SG 2.93Å; L131-C133 VanDerWaalsContact O-SG 3.39Å | ||
| 134 | S | 74.4 | Confident | 79.4 | Confident | 43 Ų | 43 | 37.3 Ų | 37.3 | 30% | 0.301 | 21% | 0.208 | S | C | . | . | trans | -69.3 | 144.5 | 171.3 | 74.8 | 0 | 0 | 0 | 0 | 110.2 | N136 V137 A138 | S134-N136 PolarHBondContact O-N 2.84Å; S134-N136 VanDerWaalsContact O-N 3.08Å; S134-V137 PolarHBondContact O-N 2.7Å; S134-V137 WeakPolarHBondContact OG-CG2 3.44Å; S134-V137 PolarHBondContact OG-N 3.28Å; S134-A138 PolarHBondContact O-N 3.42Å | ||
| 135 | H | 73.8 | Confident | 79.3 | Confident | 80 Ų | 80 | 41.3 Ų | 41.3 | 37% | 0.37 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -52.3 | -33.7 | 177.7 | -60.2 | 90.2 | 0 | 0 | 0 | 112.9 | A138 G139 Y489 M492 | H135-A138 PolarHBondContact O-N 2.88Å; H135-G139 PolarHBondContact O-N 3.08Å; H135-Y489 AromaticContact CD2-CD1 3.38Å; H135-Y489 WeakPolarHBondContact CD2-CD1 3.22Å; H135-Y489 AromaticContact CD2-CE1 3.45Å; H135-Y489 VanDerWaalsContact CD2-CE1 3.45Å; H135-Y489 WeakPolarHBondContact CD2-CE1 3.25Å; H135-Y489 AromaticContact CE1-CE1 3.97Å; H135-Y489 AromaticContact CG-CD1 3.99Å; H135-Y489 AromaticContact NE2-CD1 3.68Å; H135-Y489 AromaticContact NE2-CE1 3.21Å; H135-Y489 WeakPolarHBondContact NE2-CE1 3.44Å; H135-M492 HydrophobicContact CB-CB 4.26Å; H135-M492 HydrophobicContact CB-SD 4.22Å; H135-M492 WeakPolarHBondContact O-CG 3.49Å |
| 136 | N | 71.8 | Confident | 79 | Confident | 43 Ų | 43 | 40.6 Ų | 40.6 | 23% | 0.23 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.7 | -42 | 176.2 | -67.3 | -0.1 | 0 | 0 | 0 | 112.1 | S134 G139 V140 R491 | S134-N136 PolarHBondContact O-N 2.84Å; S134-N136 VanDerWaalsContact O-N 3.08Å; N136-G139 PolarHBondContact O-N 3.08Å; N136-V140 WeakPolarHBondContact O-CG2 3.23Å; N136-V140 PolarHBondContact O-N 2.82Å; N136-R491 WeakPolarHBondContact OD1-CB 3.47Å |
| 137 | V | 77.9 | Confident | 78.6 | Confident | 16 Ų | 16 | 41.2 Ų | 41.2 | 10% | 0.097 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.7 | -40.5 | 176.9 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | S134 G139 V140 T141 S246 | S134-V137 PolarHBondContact O-N 2.7Å; S134-V137 WeakPolarHBondContact OG-CG2 3.44Å; S134-V137 PolarHBondContact OG-N 3.28Å; V137-G139 PolarHBondContact O-N 3.35Å; V137-V140 PolarHBondContact O-N 3.02Å; V137-T141 WeakPolarHBondContact O-CB 3.26Å; V137-T141 PolarHBondContact O-N 2.87Å; V137-T141 PolarHBondContact O-OG1 3.45Å; V137-S246 VanDerWaalsContact CG2-CB 3.5Å; V137-S246 WeakPolarHBondContact CG2-OG 3.15Å |
| 138 | A | 78.8 | Confident | 78.1 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.1 | -37.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S134 H135 F142 L143 M492 | S134-A138 PolarHBondContact O-N 3.42Å; H135-A138 PolarHBondContact O-N 2.88Å; A138-F142 HydrophobicContact CB-CD2 4.44Å; A138-F142 WeakPolarHBondContact O-CB 3.45Å; A138-F142 PolarHBondContact O-N 3.01Å; A138-L143 PolarHBondContact O-N 3.48Å; A138-M492 HydrophobicContact CB-CE 3.82Å; A138-M492 HydrophobicContact CB-SD 4.45Å |
| 139 | G | 77.5 | Confident | 77.7 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -64.5 | -56 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | H135 N136 V137 T141 L143 A144 | H135-G139 PolarHBondContact O-N 3.08Å; N136-G139 PolarHBondContact O-N 3.08Å; V137-G139 PolarHBondContact O-N 3.35Å; G139-T141 PolarHBondContact O-N 3.24Å; G139-L143 WeakPolarHBondContact O-CB 3.04Å; G139-A144 PolarHBondContact O-N 3.41Å |
| 140 | V | 77.8 | Confident | 77.1 | Confident | 15 Ų | 15 | 39.6 Ų | 39.6 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -66.3 | -25.6 | -177 | 179 | 0 | 0 | 0 | 0 | 112.8 | N136 V137 A144 Y238 V242 A495 | N136-V140 WeakPolarHBondContact O-CG2 3.23Å; N136-V140 PolarHBondContact O-N 2.82Å; V137-V140 PolarHBondContact O-N 3.02Å; V140-A144 VanDerWaalsContact O-CB 3.25Å; V140-A144 WeakPolarHBondContact O-CB 3.44Å; V140-Y238 HydrophobicContact CG1-CE1 4.11Å; V140-Y238 VanDerWaalsContact CG1-OH 3.24Å; V140-Y238 WeakPolarHBondContact CG1-OH 3.45Å; V140-V242 HydrophobicContact CB-CG1 4.38Å; V140-V242 HydrophobicContact CG1-CG1 4.06Å; V140-V242 HydrophobicContact CG1-CG2 4.02Å; V140-A495 HydrophobicContact CG2-CB 3.66Å |
| 141 | T | 82.1 | Confident | 76.7 | Confident | 53 Ų | 53 | 37.4 Ų | 37.4 | 33% | 0.325 | 21% | 0.205 | S | C | . | . | I | π-helix | trans | -106.5 | -63.6 | -174.2 | -52.2 | 0 | 0 | 0 | 0 | 112.9 | V137 G139 L145 | V137-T141 WeakPolarHBondContact O-CB 3.26Å; V137-T141 PolarHBondContact O-N 2.87Å; V137-T141 PolarHBondContact O-OG1 3.45Å; G139-T141 PolarHBondContact O-N 3.24Å; T141-L145 WeakPolarHBondContact O-CB 3.21Å; T141-L145 PolarHBondContact O-N 3.3Å |
| 142 | F | 81.9 | Confident | 76.7 | Confident | 47 Ų | 47 | 33.2 Ų | 33.2 | 21% | 0.206 | 18% | 0.183 | C | C | . | . | I | π-helix | trans | -77.3 | -49.1 | -173 | -67 | -64 | 0 | 0 | 0 | 111.5 | L124 I127 L131 A138 L145 G146 F432 | L124-F142 HydrophobicContact CD1-CB 3.76Å; I127-F142 HydrophobicContact CG2-CD2 4.41Å; I127-F142 HydrophobicContact CG2-CE2 4.31Å; L131-F142 HydrophobicContact CD1-CE1 4.46Å; L131-F142 HydrophobicContact CD1-CE2 3.59Å; L131-F142 HydrophobicContact CD1-CZ 3.42Å; L131-F142 VanDerWaalsContact CD1-CZ 3.42Å; A138-F142 HydrophobicContact CB-CD2 4.44Å; A138-F142 WeakPolarHBondContact O-CB 3.45Å; A138-F142 PolarHBondContact O-N 3.01Å; F142-L145 PolarHBondContact O-N 3.01Å; F142-G146 PolarHBondContact O-N 3.45Å; F142-F432 HydrophobicContact CB-CZ 4.3Å; F142-F432 VanDerWaalsContact O-CZ 3.28Å; F142-F432 WeakPolarHBondContact O-CZ 3.34Å |
| 143 | L | 81.5 | Confident | 76.5 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -64.2 | -50.1 | -179 | 178.6 | 53.3 | 0 | 0 | 0 | 111.6 | F120 L124 A138 G139 L145 G146 N147 I484 M492 A496 | F120-L143 HydrophobicContact CD1-CD1 4.42Å; F120-L143 HydrophobicContact CE1-CD1 3.16Å; F120-L143 HydrophobicContact CZ-CD1 3.4Å; L124-L143 HydrophobicContact CD2-CB 4.06Å; L124-L143 HydrophobicContact CD2-CD1 4.15Å; L124-L143 HydrophobicContact CD2-CD2 4.4Å; L124-L143 HydrophobicContact CD2-CG 4.47Å; A138-L143 PolarHBondContact O-N 3.48Å; G139-L143 WeakPolarHBondContact O-CB 3.04Å; L143-L145 VanDerWaalsContact C-N 3.31Å; L143-L145 PolarHBondContact O-N 3.29Å; L143-G146 PolarHBondContact O-N 2.88Å; L143-N147 PolarHBondContact O-N 3.45Å; L143-I484 HydrophobicContact CD1-CD1 3.77Å; L143-I484 HydrophobicContact CD2-CD1 3.32Å; L143-I484 HydrophobicContact CG-CD1 4.22Å; L143-M492 HydrophobicContact CB-CE 4.34Å; L143-M492 HydrophobicContact CD2-CE 4.14Å; L143-M492 HydrophobicContact CD2-CG 4.26Å; L143-A496 HydrophobicContact CB-CB 3.97Å; L143-A496 HydrophobicContact CD2-CB 3.28Å; L143-A496 HydrophobicContact CG-CB 3.38Å |
| 144 | A | 82.4 | Confident | 76.4 | Confident | 3 Ų | 3 | 28.7 Ų | 28.7 | 3% | 0.025 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.4 | -41.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G139 V140 G148 | G139-A144 PolarHBondContact O-N 3.41Å; V140-A144 VanDerWaalsContact O-CB 3.25Å; V140-A144 WeakPolarHBondContact O-CB 3.44Å; A144-G148 WeakPolarHBondContact O-CA 3.15Å; A144-G148 PolarHBondContact O-N 3.25Å |
| 145 | L | 81 | Confident | 76.5 | Confident | 87 Ų | 87 | 27.2 Ų | 27.2 | 46% | 0.455 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -71.6 | -39.7 | 176.7 | -174.1 | 150.9 | 0 | 0 | 0 | 111.9 | T141 F142 L143 N147 G148 A149 F503 | T141-L145 WeakPolarHBondContact O-CB 3.21Å; T141-L145 PolarHBondContact O-N 3.3Å; F142-L145 PolarHBondContact O-N 3.01Å; L143-L145 VanDerWaalsContact C-N 3.31Å; L143-L145 PolarHBondContact O-N 3.29Å; L145-N147 VanDerWaalsContact C-N 3.34Å; L145-N147 PolarHBondContact O-N 2.98Å; L145-G148 PolarHBondContact O-N 3.35Å; L145-A149 HydrophobicContact CD2-CB 4.47Å; L145-A149 WeakPolarHBondContact O-CB 3.3Å; L145-A149 PolarHBondContact O-N 3.37Å; L145-F503 HydrophobicContact CB-CE1 4.38Å; L145-F503 HydrophobicContact CG-CE1 4.26Å; L145-F503 HydrophobicContact CG-CZ 4.39Å |
| 146 | G | 75.1 | Confident | 76.8 | Confident | 7 Ų | 7 | 25.4 Ų | 25.4 | 7% | 0.072 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.5 | -43.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F142 L143 | F142-G146 PolarHBondContact O-N 3.45Å; L143-G146 PolarHBondContact O-N 2.88Å |
| 147 | N | 76.6 | Confident | 76.8 | Confident | 16 Ų | 16 | 26 Ų | 26 | 9% | 0.086 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -80.1 | -41.4 | 176.2 | -66 | -5.6 | 0 | 0 | 0 | 112.6 | L143 L145 P150 D477 S480 | L143-N147 PolarHBondContact O-N 3.45Å; L145-N147 VanDerWaalsContact C-N 3.34Å; L145-N147 PolarHBondContact O-N 2.98Å; N147-P150 WeakPolarHBondContact O-CD 3.29Å; N147-D477 WeakPolarHBondContact CB-OD1 3.25Å; N147-D477 PolarHBondContact ND2-OD1 3.5Å; N147-S480 PolarHBondContact ND2-OG 3.42Å |
| 148 | G | 73.4 | Confident | 76.7 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -83.6 | -18.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | A144 L145 D151 I152 N504 | A144-G148 WeakPolarHBondContact O-CA 3.15Å; A144-G148 PolarHBondContact O-N 3.25Å; L145-G148 PolarHBondContact O-N 3.35Å; G148-D151 PolarHBondContact O-N 3.35Å; G148-I152 WeakPolarHBondContact O-CD1 3.4Å; G148-I152 WeakPolarHBondContact O-CG1 3.44Å; G148-I152 PolarHBondContact O-N 3.26Å; G148-N504 WeakPolarHBondContact CA-OD1 3.31Å; G148-N504 PolarHBondContact O-OD1 2.9Å |
| 149 | A | 73.1 | Confident | 76.8 | Confident | 25 Ų | 25 | 26.9 Ų | 26.9 | 21% | 0.207 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.9 | -47.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L145 D151 I152 F153 | L145-A149 HydrophobicContact CD2-CB 4.47Å; L145-A149 WeakPolarHBondContact O-CB 3.3Å; L145-A149 PolarHBondContact O-N 3.37Å; A149-D151 VanDerWaalsContact C-N 3.34Å; A149-D151 PolarHBondContact O-N 3.47Å; A149-I152 PolarHBondContact O-N 3.01Å; A149-F153 HydrophobicContact CB-CE2 4.48Å; A149-F153 WeakPolarHBondContact O-CD2 3.28Å; A149-F153 PolarHBondContact O-N 3.37Å |
| 150 | P | 67.8 | Low | 76.6 | Confident | 16 Ų | 16 | 28.2 Ų | 28.2 | 10% | 0.104 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.9 | -39.8 | 173.6 | -18 | 28.7 | 0 | 0 | 0 | 113.7 | N147 I152 F153 S154 S440 | N147-P150 WeakPolarHBondContact O-CD 3.29Å; P150-I152 VanDerWaalsContact C-N 3.3Å; P150-I152 PolarHBondContact O-N 2.8Å; P150-F153 PolarHBondContact O-N 3.45Å; P150-S154 PolarHBondContact O-N 3.37Å; P150-S154 VanDerWaalsContact O-N 3.12Å; P150-S154 PolarHBondContact O-OG 3.38Å; P150-S440 WeakPolarHBondContact CB-OG 3.46Å; P150-S440 VanDerWaalsContact CG-CB 3.42Å; P150-S440 WeakPolarHBondContact CG-OG 3.35Å |
| 151 | D | 73.4 | Confident | 76.4 | Confident | 27 Ų | 27 | 32.2 Ų | 32.2 | 14% | 0.144 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.6 | -39.8 | 178 | -62.6 | -22.3 | 0 | 0 | 0 | 111.1 | G148 A149 S154 A155 N504 | G148-D151 PolarHBondContact O-N 3.35Å; A149-D151 VanDerWaalsContact C-N 3.34Å; A149-D151 PolarHBondContact O-N 3.47Å; D151-S154 PolarHBondContact O-N 3.46Å; D151-A155 VanDerWaalsContact O-CB 3.27Å; D151-A155 WeakPolarHBondContact O-CB 2.97Å; D151-A155 PolarHBondContact O-N 3.33Å; D151-N504 WeakPolarHBondContact CB-ND2 3.43Å; D151-N504 PolarHBondContact OD2-ND2 2.87Å |
| 152 | I | 78.8 | Confident | 75.7 | Confident | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.8 | -43.5 | 177.1 | -77.9 | 158.2 | 0 | 0 | 0 | 111.9 | G148 A149 P150 S154 A155 M156 F503 N504 F507 | G148-I152 WeakPolarHBondContact O-CD1 3.4Å; G148-I152 WeakPolarHBondContact O-CG1 3.44Å; G148-I152 PolarHBondContact O-N 3.26Å; A149-I152 PolarHBondContact O-N 3.01Å; P150-I152 VanDerWaalsContact C-N 3.3Å; P150-I152 PolarHBondContact O-N 2.8Å; I152-S154 PolarHBondContact O-N 3.07Å; I152-A155 PolarHBondContact O-N 3.45Å; I152-M156 WeakPolarHBondContact O-CB 3.22Å; I152-M156 PolarHBondContact O-N 2.85Å; I152-F503 HydrophobicContact CD1-CD1 3.24Å; I152-F503 HydrophobicContact CD1-CD2 3.79Å; I152-F503 HydrophobicContact CD1-CE1 2.98Å; I152-F503 HydrophobicContact CD1-CE2 3.56Å; I152-F503 HydrophobicContact CD1-CG 3.66Å; I152-F503 HydrophobicContact CD1-CZ 3.15Å; I152-F503 HydrophobicContact CG1-CE1 4.42Å; I152-N504 WeakPolarHBondContact CG1-OD1 3.41Å; I152-F507 HydrophobicContact CD1-CD1 4.09Å; I152-F507 HydrophobicContact CG2-CD1 4.13Å; I152-F507 HydrophobicContact CG2-CE1 4.33Å |
| 153 | F | 74.1 | Confident | 75.1 | Confident | 66 Ų | 66 | 35.7 Ų | 35.7 | 29% | 0.289 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.9 | -38.3 | 178.2 | -68.6 | -61.1 | 0 | 0 | 0 | 111.3 | A149 P150 M156 A157 F380 | A149-F153 HydrophobicContact CB-CE2 4.48Å; A149-F153 WeakPolarHBondContact O-CD2 3.28Å; A149-F153 PolarHBondContact O-N 3.37Å; P150-F153 PolarHBondContact O-N 3.45Å; F153-M156 HydrophobicContact CD1-CE 4.01Å; F153-A157 WeakPolarHBondContact O-CB 3.38Å; F153-A157 PolarHBondContact O-N 3.3Å; F153-A157 VanDerWaalsContact O-N 3.08Å; F153-F380 HydrophobicContact CD2-CZ 4.46Å; F153-F380 HydrophobicContact CE2-CZ 4.46Å |
| 154 | S | 71.9 | Confident | 74.8 | Confident | 52 Ų | 52 | 36.7 Ų | 36.7 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.9 | -47.6 | 176.7 | -49.3 | 0 | 0 | 0 | 0 | 111.4 | P150 D151 I152 M156 A157 A158 | P150-S154 PolarHBondContact O-N 3.37Å; P150-S154 VanDerWaalsContact O-N 3.12Å; P150-S154 PolarHBondContact O-OG 3.38Å; D151-S154 PolarHBondContact O-N 3.46Å; I152-S154 PolarHBondContact O-N 3.07Å; S154-M156 PolarHBondContact O-N 3.39Å; S154-A157 PolarHBondContact O-N 3.18Å; S154-A158 WeakPolarHBondContact O-CB 3.12Å; S154-A158 PolarHBondContact O-N 2.96Å |
| 155 | A | 76.2 | Confident | 74.6 | Confident | 12 Ų | 12 | 36.6 Ų | 36.6 | 10% | 0.099 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.2 | -40.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | D151 I152 A158 I159 | D151-A155 VanDerWaalsContact O-CB 3.27Å; D151-A155 WeakPolarHBondContact O-CB 2.97Å; D151-A155 PolarHBondContact O-N 3.33Å; I152-A155 PolarHBondContact O-N 3.45Å; A155-A158 PolarHBondContact O-N 2.97Å; A155-I159 WeakPolarHBondContact O-CB 3.43Å; A155-I159 WeakPolarHBondContact O-CD1 3.5Å; A155-I159 WeakPolarHBondContact O-CG1 3.48Å; A155-I159 PolarHBondContact O-N 3.19Å |
| 156 | M | 79.1 | Confident | 74.4 | Confident | 43 Ų | 43 | 32.6 Ų | 32.6 | 21% | 0.212 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.6 | -42.6 | 176.8 | -176.5 | -176.3 | 68.4 | 0 | 0 | 111.4 | I152 F153 S154 I159 S160 L511 V515 | I152-M156 WeakPolarHBondContact O-CB 3.22Å; I152-M156 PolarHBondContact O-N 2.85Å; F153-M156 HydrophobicContact CD1-CE 4.01Å; S154-M156 PolarHBondContact O-N 3.39Å; M156-I159 PolarHBondContact O-N 3.13Å; M156-S160 PolarHBondContact O-N 3.04Å; M156-L511 HydrophobicContact SD-CD2 3.63Å; M156-L511 HydrophobicContact SD-CG 3.78Å; M156-V515 HydrophobicContact CG-CG2 4.36Å; M156-V515 HydrophobicContact SD-CG2 4.13Å |
| 157 | A | 73.3 | Confident | 74.5 | Confident | 54 Ų | 54 | 34 Ų | 34 | 45% | 0.446 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -68.1 | -34.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F153 S154 S160 H161 | F153-A157 WeakPolarHBondContact O-CB 3.38Å; F153-A157 PolarHBondContact O-N 3.3Å; F153-A157 VanDerWaalsContact O-N 3.08Å; S154-A157 PolarHBondContact O-N 3.18Å; A157-S160 PolarHBondContact O-OG 3.42Å; A157-H161 PolarHBondContact O-ND1 3.27Å |
| 158 | A | 76 | Confident | 74.6 | Confident | 35 Ų | 35 | 33.8 Ų | 33.8 | 29% | 0.289 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -71.4 | -35.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S154 A155 T164 A168 | S154-A158 WeakPolarHBondContact O-CB 3.12Å; S154-A158 PolarHBondContact O-N 2.96Å; A155-A158 PolarHBondContact O-N 2.97Å; A158-T164 PolarHBondContact O-OG1 3.26Å; A158-A168 HydrophobicContact CB-CB 3.73Å |
| 159 | I | 79.8 | Confident | 75.2 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -80.9 | -23.8 | 179.9 | -65.7 | 166.6 | 0 | 0 | 0 | 111.8 | A155 M156 H161 A165 A168 V509 Q516 | A155-I159 WeakPolarHBondContact O-CB 3.43Å; A155-I159 WeakPolarHBondContact O-CD1 3.5Å; A155-I159 WeakPolarHBondContact O-CG1 3.48Å; A155-I159 PolarHBondContact O-N 3.19Å; M156-I159 PolarHBondContact O-N 3.13Å; I159-H161 PolarHBondContact O-N 3Å; I159-A165 HydrophobicContact CG2-CB 4.32Å; I159-A168 HydrophobicContact CD1-CB 4.42Å; I159-A168 HydrophobicContact CG1-CB 3.68Å; I159-V509 HydrophobicContact CD1-CB 4.19Å; I159-V509 HydrophobicContact CD1-CG1 4.25Å; I159-V509 HydrophobicContact CD1-CG2 4Å; I159-Q516 PolarHBondContact O-NE2 3.2Å; I159-Q516 PolarHBondContact O-OE1 3.26Å; I159-Q516 VanDerWaalsContact O-OE1 3.05Å |
| 160 | S | 72.5 | Confident | 75.8 | Confident | 28 Ų | 28 | 32.6 Ų | 32.6 | 20% | 0.196 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -15.5 | 177.9 | 64.3 | 0 | 0 | 0 | 0 | 113.7 | M156 A157 | M156-S160 PolarHBondContact O-N 3.04Å; A157-S160 PolarHBondContact O-OG 3.42Å |
| 161 | H | 73.6 | Confident | 76.6 | Confident | 100 Ų | 100 | 33 Ų | 33 | 46% | 0.463 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -105.1 | 128.7 | 176.7 | -61.3 | 93.2 | 0 | 0 | 0 | 111 | A157 I159 H163 T164 A165 | A157-H161 PolarHBondContact O-ND1 3.27Å; I159-H161 PolarHBondContact O-N 3Å; H161-H163 PolarHBondContact O-N 2.83Å; H161-T164 WeakPolarHBondContact CB-OG1 3.1Å; H161-T164 PolarHBondContact O-N 3.49Å; H161-T164 PolarHBondContact O-OG1 3.49Å; H161-A165 PolarHBondContact O-N 3.38Å |
| 162 | P | 68.3 | Low | 77.3 | Confident | 51 Ų | 51 | 32.6 Ų | 32.6 | 33% | 0.331 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -44.2 | -175.6 | -27.5 | 34.5 | 0 | 0 | 0 | 115.3 | T164 Q516 | P162-T164 VanDerWaalsContact C-N 3.32Å; P162-T164 PolarHBondContact O-N 3.14Å; P162-Q516 VanDerWaalsContact N-NE2 3.11Å |
| 163 | H | 69.4 | Low | 77.9 | Confident | 122 Ų | 122 | 32.4 Ų | 32.4 | 57% | 0.565 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -18.1 | -174.3 | -60.9 | -64 | 0 | 0 | 0 | 114 | H161 E527 | H161-H163 PolarHBondContact O-N 2.83Å; H163-E527 IonicContact CE1-OE2 3.87Å; H163-E527 IonicContact CG-OE2 3.9Å; H163-E527 IonicContact ND1-OE1 3.99Å; H163-E527 IonicContact ND1-OE2 2.93Å; H163-E527 PolarHBondContact ND1-OE2 3.26Å |
| 164 | T | 74.8 | Confident | 78.6 | Confident | 21 Ų | 21 | 29.4 Ų | 29.4 | 13% | 0.129 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -8.6 | -176.9 | 52.1 | 0 | 0 | 0 | 0 | 113.4 | M44 A158 H161 P162 G166 L167 A168 | M44-T164 HydrophobicContact CB-CG2 3.83Å; M44-T164 HydrophobicContact CE-CG2 4.47Å; M44-T164 HydrophobicContact CG-CG2 4.13Å; M44-T164 HydrophobicContact SD-CG2 3.58Å; M44-T164 VanDerWaalsContact SD-CG2 3.58Å; A158-T164 PolarHBondContact O-OG1 3.26Å; H161-T164 WeakPolarHBondContact CB-OG1 3.1Å; H161-T164 PolarHBondContact O-N 3.49Å; H161-T164 PolarHBondContact O-OG1 3.49Å; P162-T164 VanDerWaalsContact C-N 3.32Å; P162-T164 PolarHBondContact O-N 3.14Å; T164-G166 PolarHBondContact O-N 3.41Å; T164-L167 PolarHBondContact O-N 2.86Å; T164-A168 WeakPolarHBondContact O-CB 3.44Å; T164-A168 PolarHBondContact O-N 2.91Å |
| 165 | A | 77.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.2 | -41.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113 | I159 H161 A168 V169 F526 | I159-A165 HydrophobicContact CG2-CB 4.32Å; H161-A165 PolarHBondContact O-N 3.38Å; A165-A168 PolarHBondContact O-N 3.34Å; A165-V169 WeakPolarHBondContact O-CG2 3.17Å; A165-V169 PolarHBondContact O-N 3.4Å; A165-V169 VanDerWaalsContact O-N 3.1Å; A165-F526 HydrophobicContact CB-CD1 4.11Å; A165-F526 HydrophobicContact CB-CE1 4.07Å |
| 166 | G | 77.7 | Confident | 80.2 | Confident | 3 Ų | 3 | 26.7 Ų | 26.7 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.7 | -44.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T164 V169 G170 | T164-G166 PolarHBondContact O-N 3.41Å; G166-V169 PolarHBondContact O-N 3.08Å; G166-G170 PolarHBondContact O-N 3.46Å |
| 167 | L | 76.4 | Confident | 80.9 | Confident | 37 Ų | 37 | 24.7 Ų | 24.7 | 19% | 0.194 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.8 | -40.2 | 176.9 | -176.1 | 65.2 | 0 | 0 | 0 | 111.7 | M44 T164 G170 A171 L466 | M44-L167 HydrophobicContact CE-CD2 3.92Å; M44-L167 HydrophobicContact SD-CD2 4.49Å; T164-L167 PolarHBondContact O-N 2.86Å; L167-G170 PolarHBondContact O-N 2.96Å; L167-A171 PolarHBondContact O-N 2.88Å; L167-L466 HydrophobicContact CD1-CD2 4.23Å; L167-L466 HydrophobicContact CD1-CG 4.41Å |
| 168 | A | 80.3 | Confident | 81.8 | Confident | 12 Ų | 12 | 22.6 Ų | 22.6 | 10% | 0.099 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.5 | -44.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | A158 I159 T164 A165 G170 A171 L172 | A158-A168 HydrophobicContact CB-CB 3.73Å; I159-A168 HydrophobicContact CD1-CB 4.42Å; I159-A168 HydrophobicContact CG1-CB 3.68Å; T164-A168 WeakPolarHBondContact O-CB 3.44Å; T164-A168 PolarHBondContact O-N 2.91Å; A165-A168 PolarHBondContact O-N 3.34Å; A168-G170 VanDerWaalsContact C-N 3.34Å; A168-A171 PolarHBondContact O-N 3.12Å; A168-L172 WeakPolarHBondContact O-CG 3.38Å; A168-L172 PolarHBondContact O-N 3.31Å |
| 169 | V | 85.7 | Confident | 82.7 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.5 | -39.9 | 174.6 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | A165 G166 A171 L172 F173 T214 L218 V509 F526 | A165-V169 WeakPolarHBondContact O-CG2 3.17Å; A165-V169 PolarHBondContact O-N 3.4Å; A165-V169 VanDerWaalsContact O-N 3.1Å; G166-V169 PolarHBondContact O-N 3.08Å; V169-A171 VanDerWaalsContact C-N 3.35Å; V169-A171 PolarHBondContact O-N 3.46Å; V169-L172 WeakPolarHBondContact O-CB 3.41Å; V169-L172 PolarHBondContact O-N 2.85Å; V169-F173 HydrophobicContact CG1-CD2 4.48Å; V169-F173 HydrophobicContact CG1-CE2 4.04Å; V169-F173 HydrophobicContact CG1-CZ 4.23Å; V169-F173 PolarHBondContact O-N 3.04Å; V169-T214 HydrophobicContact CG1-CG2 3.42Å; V169-T214 VanDerWaalsContact CG1-CG2 3.42Å; V169-L218 HydrophobicContact CB-CD2 4.31Å; V169-L218 HydrophobicContact CG1-CD1 3.81Å; V169-L218 HydrophobicContact CG1-CD2 4.15Å; V169-L218 HydrophobicContact CG1-CG 4.16Å; V169-V509 HydrophobicContact CG2-CG1 4.25Å; V169-V509 HydrophobicContact CG2-CG2 4.36Å; V169-F526 HydrophobicContact CG2-CD1 4.44Å; V169-F526 HydrophobicContact CG2-CE1 3.87Å |
| 170 | G | 85.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.2 | -42 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G166 L167 A168 L172 F173 G174 L466 | G166-G170 PolarHBondContact O-N 3.46Å; L167-G170 PolarHBondContact O-N 2.96Å; A168-G170 VanDerWaalsContact C-N 3.34Å; G170-L172 VanDerWaalsContact C-N 3.28Å; G170-L172 PolarHBondContact O-N 3.22Å; G170-F173 PolarHBondContact O-N 2.8Å; G170-F173 VanDerWaalsContact O-N 3.13Å; G170-G174 PolarHBondContact O-N 3.39Å; G170-L466 WeakPolarHBondContact O-CD2 3.39Å |
| 171 | A | 83.9 | Confident | 84.4 | Confident | 23 Ų | 23 | 19.7 Ų | 19.7 | 19% | 0.19 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.8 | -35.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L167 A168 V169 G174 A175 A470 | L167-A171 PolarHBondContact O-N 2.88Å; A168-A171 PolarHBondContact O-N 3.12Å; V169-A171 VanDerWaalsContact C-N 3.35Å; V169-A171 PolarHBondContact O-N 3.46Å; A171-G174 PolarHBondContact O-N 2.95Å; A171-A175 WeakPolarHBondContact O-CB 3.28Å; A171-A175 PolarHBondContact O-N 3.45Å; A171-A470 WeakPolarHBondContact O-CB 2.82Å |
| 172 | L | 88.6 | Confident | 85.4 | Confident | 20 Ų | 20 | 15.7 Ų | 15.7 | 11% | 0.105 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.6 | -36 | 172.5 | -69.7 | 172.4 | 0 | 0 | 0 | 112.8 | A168 V169 G170 G176 N504 M505 V509 | A168-L172 WeakPolarHBondContact O-CG 3.38Å; A168-L172 PolarHBondContact O-N 3.31Å; V169-L172 WeakPolarHBondContact O-CB 3.41Å; V169-L172 PolarHBondContact O-N 2.85Å; G170-L172 VanDerWaalsContact C-N 3.28Å; G170-L172 PolarHBondContact O-N 3.22Å; L172-G176 PolarHBondContact O-N 2.98Å; L172-N504 HydrophobicContact CD2-CB 4.18Å; L172-M505 HydrophobicContact CB-CE 3.97Å; L172-M505 HydrophobicContact CB-SD 4.44Å; L172-V509 HydrophobicContact CD1-CG2 3.21Å |
| 173 | F | 90.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66.5 | -39.9 | 171.2 | -66.8 | -41.8 | 0 | 0 | 0 | 112.1 | V169 G170 G176 I177 V211 T214 L218 M505 V536 A537 L540 | V169-F173 HydrophobicContact CG1-CD2 4.48Å; V169-F173 HydrophobicContact CG1-CE2 4.04Å; V169-F173 HydrophobicContact CG1-CZ 4.23Å; V169-F173 PolarHBondContact O-N 3.04Å; G170-F173 PolarHBondContact O-N 2.8Å; G170-F173 VanDerWaalsContact O-N 3.13Å; F173-G176 PolarHBondContact O-N 2.78Å; F173-I177 PolarHBondContact O-N 3.22Å; F173-V211 HydrophobicContact CE1-CG1 4.16Å; F173-T214 HydrophobicContact CE1-CG2 4.02Å; F173-T214 HydrophobicContact CZ-CG2 3.65Å; F173-L218 HydrophobicContact CD2-CD1 4.48Å; F173-L218 HydrophobicContact CE2-CD1 3.51Å; F173-L218 HydrophobicContact CZ-CD1 4.17Å; F173-M505 HydrophobicContact CD1-CE 3.58Å; F173-M505 HydrophobicContact CE1-CE 3.78Å; F173-M505 HydrophobicContact CE1-SD 4.5Å; F173-V536 HydrophobicContact CB-CG1 3.64Å; F173-A537 HydrophobicContact CD2-CB 3.75Å; F173-A537 HydrophobicContact CE2-CB 3.62Å; F173-A537 HydrophobicContact CG-CB 4.35Å; F173-A537 HydrophobicContact CZ-CB 4.14Å; F173-L540 HydrophobicContact CB-CD2 4.24Å; F173-L540 HydrophobicContact CD1-CD2 3.58Å; F173-L540 HydrophobicContact CE1-CD2 4.37Å; F173-L540 HydrophobicContact CG-CD2 4.32Å |
| 174 | G | 89.9 | Confident | 87.8 | Confident | 3 Ų | 3 | 7.6 Ų | 7.6 | 3% | 0.031 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -60.5 | -45 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G170 A171 G176 I177 F178 L466 | G170-G174 PolarHBondContact O-N 3.39Å; A171-G174 PolarHBondContact O-N 2.95Å; G174-G176 VanDerWaalsContact C-N 3.34Å; G174-I177 WeakPolarHBondContact O-CG2 3.35Å; G174-I177 PolarHBondContact O-N 3.46Å; G174-F178 WeakPolarHBondContact O-CB 3.35Å; G174-F178 PolarHBondContact O-N 3.41Å; G174-F178 VanDerWaalsContact O-N 3.08Å; G174-L466 WeakPolarHBondContact CA-O 3.27Å |
| 175 | A | 89.8 | Confident | 88.7 | Confident | 7 Ų | 7 | 6.6 Ų | 6.6 | 6% | 0.058 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -64.4 | -42.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | A171 I177 F178 V179 | A171-A175 WeakPolarHBondContact O-CB 3.28Å; A171-A175 PolarHBondContact O-N 3.45Å; A175-I177 PolarHBondContact O-N 3.47Å; A175-F178 PolarHBondContact O-N 3.43Å; A175-V179 WeakPolarHBondContact O-CG2 3.35Å; A175-V179 PolarHBondContact O-N 2.88Å |
| 176 | G | 92.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -57 | -48.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | L172 F173 G174 V179 T180 Y207 | L172-G176 PolarHBondContact O-N 2.98Å; F173-G176 PolarHBondContact O-N 2.78Å; G174-G176 VanDerWaalsContact C-N 3.34Å; G176-V179 PolarHBondContact O-N 3.01Å; G176-T180 WeakPolarHBondContact O-CG2 3.39Å; G176-T180 PolarHBondContact O-N 2.93Å; G176-T180 PolarHBondContact O-OG1 3.1Å; G176-Y207 WeakPolarHBondContact CA-OH 3.48Å |
| 177 | I | 93.2 | Very high | 90.2 | Very high | 2 Ų | 2 | 7.6 Ų | 7.6 | 1% | 0.01 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -66.8 | -40.9 | 177.8 | -171.2 | 168 | 0 | 0 | 0 | 110.7 | F173 G174 A175 V179 T180 T181 A539 L540 Y570 F573 | F173-I177 PolarHBondContact O-N 3.22Å; G174-I177 WeakPolarHBondContact O-CG2 3.35Å; G174-I177 PolarHBondContact O-N 3.46Å; A175-I177 PolarHBondContact O-N 3.47Å; I177-V179 PolarHBondContact O-N 3.36Å; I177-T180 PolarHBondContact O-OG1 3.41Å; I177-T181 HydrophobicContact CG1-CG2 4.08Å; I177-T181 VanDerWaalsContact O-CB 3.31Å; I177-T181 WeakPolarHBondContact O-CB 3.32Å; I177-T181 WeakPolarHBondContact O-CG2 3.28Å; I177-T181 PolarHBondContact O-N 3.42Å; I177-T181 PolarHBondContact O-OG1 3.19Å; I177-A539 HydrophobicContact CD1-CB 3.56Å; I177-L540 HydrophobicContact CB-CB 4.41Å; I177-L540 HydrophobicContact CB-CD1 4.44Å; I177-Y570 HydrophobicContact CG1-CD2 4.34Å; I177-Y570 HydrophobicContact CG2-CE2 4.45Å; I177-F573 HydrophobicContact CD1-CB 4.09Å; I177-F573 HydrophobicContact CD1-CD1 3.77Å; I177-F573 HydrophobicContact CD1-CD2 3.91Å; I177-F573 HydrophobicContact CD1-CE1 4.18Å; I177-F573 HydrophobicContact CD1-CE2 4.3Å; I177-F573 HydrophobicContact CD1-CG 3.62Å; I177-F573 HydrophobicContact CD1-CZ 4.43Å; I177-F573 HydrophobicContact CG2-CD1 4.43Å; I177-F573 HydrophobicContact CG2-CE1 3.91Å; I177-F573 HydrophobicContact CG2-CZ 4.14Å |
| 178 | F | 93.1 | Very high | 91 | Very high | 10 Ų | 10 | 5.8 Ų | 5.8 | 4% | 0.044 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -60.3 | -46.1 | 177 | 179.5 | -97.7 | 0 | 0 | 0 | 112 | G174 A175 V182 V183 W471 I475 L478 Y570 | G174-F178 WeakPolarHBondContact O-CB 3.35Å; G174-F178 PolarHBondContact O-N 3.41Å; G174-F178 VanDerWaalsContact O-N 3.08Å; A175-F178 PolarHBondContact O-N 3.43Å; F178-V182 HydrophobicContact CD2-CB 3.86Å; F178-V182 HydrophobicContact CD2-CG1 4.33Å; F178-V182 HydrophobicContact CD2-CG2 3.74Å; F178-V182 HydrophobicContact CE2-CB 3.81Å; F178-V182 HydrophobicContact CE2-CG1 3.76Å; F178-V182 HydrophobicContact CE2-CG2 3.95Å; F178-V182 HydrophobicContact CG-CB 4.39Å; F178-V182 HydrophobicContact CZ-CB 4.29Å; F178-V182 HydrophobicContact CZ-CG1 4.04Å; F178-V182 WeakPolarHBondContact O-CA 3.4Å; F178-V182 VanDerWaalsContact O-CB 3.29Å; F178-V182 WeakPolarHBondContact O-CB 3.41Å; F178-V182 PolarHBondContact O-N 3.48Å; F178-V183 HydrophobicContact CD1-CG2 4.07Å; F178-V183 HydrophobicContact CE1-CG2 3.83Å; F178-V183 PolarHBondContact O-N 2.93Å; F178-W471 HydrophobicContact CD2-CB 3.99Å; F178-W471 HydrophobicContact CE2-CB 4.02Å; F178-W471 HydrophobicContact CE2-CG 4.25Å; F178-W471 HydrophobicContact CG-CB 4.34Å; F178-W471 HydrophobicContact CZ-CB 4.43Å; F178-W471 HydrophobicContact CZ-CG 4.45Å; F178-I475 HydrophobicContact CZ-CD1 4.2Å; F178-L478 HydrophobicContact CE1-CB 4.38Å; F178-L478 HydrophobicContact CZ-CD2 4.23Å; F178-Y570 HydrophobicContact CB-CE2 4.22Å; F178-Y570 HydrophobicContact CD2-CE1 4.43Å; F178-Y570 HydrophobicContact CD2-CE2 4.15Å; F178-Y570 AromaticContact CD2-CZ 3.83Å |
| 179 | V | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 5% | 0.048 | C | C | . | . | I | π-helix | trans | -69.5 | -45 | -179.3 | 172.9 | 0 | 0 | 0 | 0 | 112 | A175 G176 I177 T181 V183 A184 S474 D477 C497 I501 | A175-V179 WeakPolarHBondContact O-CG2 3.35Å; A175-V179 PolarHBondContact O-N 2.88Å; G176-V179 PolarHBondContact O-N 3.01Å; I177-V179 PolarHBondContact O-N 3.36Å; V179-T181 VanDerWaalsContact C-N 3.27Å; V179-T181 PolarHBondContact O-N 2.91Å; V179-V183 HydrophobicContact CB-CG2 4.39Å; V179-V183 HydrophobicContact CG1-CB 4.35Å; V179-V183 HydrophobicContact CG2-CG2 4.15Å; V179-V183 WeakPolarHBondContact O-CB 3.48Å; V179-A184 PolarHBondContact O-N 3.43Å; V179-S474 WeakPolarHBondContact CG2-OG 3.34Å; V179-D477 HydrophobicContact CG2-CB 4.35Å; V179-C497 HydrophobicContact CG1-CB 3.75Å; V179-C497 VanDerWaalsContact CG1-O 3.31Å; V179-C497 WeakPolarHBondContact CG1-O 3.45Å; V179-I501 HydrophobicContact CB-CD1 3.9Å; V179-I501 HydrophobicContact CB-CG1 3.69Å; V179-I501 HydrophobicContact CG1-CD1 4.32Å; V179-I501 HydrophobicContact CG1-CG1 3.68Å; V179-I501 HydrophobicContact CG2-CD1 3.76Å; V179-I501 HydrophobicContact CG2-CG1 4.07Å |
| 180 | T | 93.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.006 | 6% | 0.062 | C | C | . | . | I | π-helix | trans | -73.9 | -17.5 | -178.9 | 59.9 | 0 | 0 | 0 | 0 | 114.1 | G176 I177 A184 Y207 F498 L544 | G176-T180 WeakPolarHBondContact O-CG2 3.39Å; G176-T180 PolarHBondContact O-N 2.93Å; G176-T180 PolarHBondContact O-OG1 3.1Å; I177-T180 PolarHBondContact O-OG1 3.41Å; T180-A184 WeakPolarHBondContact O-CB 3.48Å; T180-Y207 HydrophobicContact CG2-CD1 4.29Å; T180-Y207 HydrophobicContact CG2-CE1 3.68Å; T180-F498 HydrophobicContact CG2-CD1 4.36Å; T180-F498 HydrophobicContact CG2-CE1 3.91Å; T180-F498 HydrophobicContact CG2-CZ 4.4Å; T180-L544 HydrophobicContact CG2-CD2 4.08Å |
| 181 | T | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | I | π-helix | trans | -107.8 | -63 | 178.2 | 63.7 | 0 | 0 | 0 | 0 | 112.5 | I177 V179 G185 L566 L569 Y570 | I177-T181 HydrophobicContact CG1-CG2 4.08Å; I177-T181 VanDerWaalsContact O-CB 3.31Å; I177-T181 WeakPolarHBondContact O-CB 3.32Å; I177-T181 WeakPolarHBondContact O-CG2 3.28Å; I177-T181 PolarHBondContact O-N 3.42Å; I177-T181 PolarHBondContact O-OG1 3.19Å; V179-T181 VanDerWaalsContact C-N 3.27Å; V179-T181 PolarHBondContact O-N 2.91Å; T181-G185 WeakPolarHBondContact O-CA 3.33Å; T181-G185 PolarHBondContact O-N 3.03Å; T181-L566 HydrophobicContact CG2-CD2 4.39Å; T181-L566 WeakPolarHBondContact O-CB 3.47Å; T181-L569 HydrophobicContact CG2-CD2 4.38Å; T181-Y570 WeakPolarHBondContact OG1-CB 3.41Å; T181-Y570 VanDerWaalsContact OG1-CD2 3.26Å; T181-Y570 WeakPolarHBondContact OG1-CD2 3.32Å |
| 182 | V | 94.9 | Very high | 92.6 | Very high | 17 Ų | 17 | 15.8 Ų | 15.8 | 10% | 0.103 | 9% | 0.089 | C | C | . | . | I | π-helix | trans | -71.9 | -49.4 | -174.7 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | F178 S186 L478 L567 Y570 | F178-V182 HydrophobicContact CD2-CB 3.86Å; F178-V182 HydrophobicContact CD2-CG1 4.33Å; F178-V182 HydrophobicContact CD2-CG2 3.74Å; F178-V182 HydrophobicContact CE2-CB 3.81Å; F178-V182 HydrophobicContact CE2-CG1 3.76Å; F178-V182 HydrophobicContact CE2-CG2 3.95Å; F178-V182 HydrophobicContact CG-CB 4.39Å; F178-V182 HydrophobicContact CZ-CB 4.29Å; F178-V182 HydrophobicContact CZ-CG1 4.04Å; F178-V182 WeakPolarHBondContact O-CA 3.4Å; F178-V182 VanDerWaalsContact O-CB 3.29Å; F178-V182 WeakPolarHBondContact O-CB 3.41Å; F178-V182 PolarHBondContact O-N 3.48Å; V182-S186 WeakPolarHBondContact O-CB 3.37Å; V182-S186 PolarHBondContact O-N 3.37Å; V182-S186 PolarHBondContact O-OG 3.12Å; V182-L478 HydrophobicContact CG1-CD1 4.36Å; V182-L567 HydrophobicContact CB-CD2 4.3Å; V182-L567 HydrophobicContact CG1-CD2 4.14Å; V182-L567 HydrophobicContact CG2-CD2 4.31Å; V182-Y570 HydrophobicContact CG2-CD1 3.37Å; V182-Y570 HydrophobicContact CG2-CD2 3.8Å; V182-Y570 HydrophobicContact CG2-CE1 3.7Å; V182-Y570 HydrophobicContact CG2-CE2 4.11Å; V182-Y570 HydrophobicContact CG2-CG 3.42Å; V182-Y570 VanDerWaalsContact CG2-CG 3.42Å |
| 183 | V | 94 | Very high | 92.7 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | I | π-helix | trans | -68.9 | -54.7 | -178.4 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | F178 V179 G185 S186 V187 D477 L478 D481 | F178-V183 HydrophobicContact CD1-CG2 4.07Å; F178-V183 HydrophobicContact CE1-CG2 3.83Å; F178-V183 PolarHBondContact O-N 2.93Å; V179-V183 HydrophobicContact CB-CG2 4.39Å; V179-V183 HydrophobicContact CG1-CB 4.35Å; V179-V183 HydrophobicContact CG2-CG2 4.15Å; V179-V183 WeakPolarHBondContact O-CB 3.48Å; V183-G185 VanDerWaalsContact C-N 3.31Å; V183-G185 PolarHBondContact O-N 3.34Å; V183-S186 PolarHBondContact O-N 2.95Å; V183-V187 WeakPolarHBondContact O-CG2 3.45Å; V183-V187 PolarHBondContact O-N 3.23Å; V183-D477 HydrophobicContact CG2-CB 4.49Å; V183-L478 HydrophobicContact CB-CD1 4.31Å; V183-L478 HydrophobicContact CG1-CD1 4.48Å; V183-L478 HydrophobicContact CG2-CB 3.86Å; V183-L478 HydrophobicContact CG2-CD1 3.98Å; V183-D481 HydrophobicContact CG1-CB 3.8Å |
| 184 | A | 93.8 | Very high | 92.5 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 2% | 0.017 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.4 | -40.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V179 T180 V187 A188 I494 L566 | V179-A184 PolarHBondContact O-N 3.43Å; T180-A184 WeakPolarHBondContact O-CB 3.48Å; A184-V187 PolarHBondContact O-N 2.9Å; A184-A188 PolarHBondContact O-N 3.16Å; A184-I494 HydrophobicContact CB-CD1 3.44Å; A184-I494 VanDerWaalsContact CB-CD1 3.44Å; A184-L566 HydrophobicContact CB-CD1 4.29Å |
| 185 | G | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.8 | -42.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T181 V183 V187 A188 L189 | T181-G185 WeakPolarHBondContact O-CA 3.33Å; T181-G185 PolarHBondContact O-N 3.03Å; V183-G185 VanDerWaalsContact C-N 3.31Å; V183-G185 PolarHBondContact O-N 3.34Å; G185-V187 PolarHBondContact O-N 3.4Å; G185-A188 PolarHBondContact O-N 3.11Å; G185-L189 WeakPolarHBondContact O-CG 3.49Å; G185-L189 PolarHBondContact O-N 3.08Å |
| 186 | S | 94.1 | Very high | 92.1 | Very high | 24 Ų | 24 | 20.9 Ų | 20.9 | 17% | 0.168 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.5 | -40.5 | 175.4 | -63.3 | 0 | 0 | 0 | 0 | 112.1 | V182 V183 L189 V190 | V182-S186 WeakPolarHBondContact O-CB 3.37Å; V182-S186 PolarHBondContact O-N 3.37Å; V182-S186 PolarHBondContact O-OG 3.12Å; V183-S186 PolarHBondContact O-N 2.95Å; S186-L189 PolarHBondContact O-N 2.94Å; S186-V190 WeakPolarHBondContact O-CB 3.47Å; S186-V190 VanDerWaalsContact O-CG2 3.23Å; S186-V190 WeakPolarHBondContact O-CG2 3.3Å; S186-V190 PolarHBondContact O-N 2.86Å; S186-V190 VanDerWaalsContact O-N 3.07Å |
| 187 | V | 93.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.8 | -46.8 | 174 | 168.6 | 0 | 0 | 0 | 0 | 111 | V183 A184 G185 L189 V190 K191 F193 D481 V482 A485 P490 A493 I494 | V183-V187 WeakPolarHBondContact O-CG2 3.45Å; V183-V187 PolarHBondContact O-N 3.23Å; A184-V187 PolarHBondContact O-N 2.9Å; G185-V187 PolarHBondContact O-N 3.4Å; V187-L189 VanDerWaalsContact C-N 3.34Å; V187-L189 PolarHBondContact O-N 3.08Å; V187-V190 PolarHBondContact O-N 3.25Å; V187-K191 PolarHBondContact O-N 3.36Å; V187-F193 HydrophobicContact CG1-CE1 4.12Å; V187-D481 HydrophobicContact CG2-CB 3.97Å; V187-V482 HydrophobicContact CG2-CG2 4.45Å; V187-A485 HydrophobicContact CB-CB 4.39Å; V187-A485 HydrophobicContact CG1-CB 3.82Å; V187-A485 HydrophobicContact CG2-CB 4.3Å; V187-P490 HydrophobicContact CG1-CB 4.23Å; V187-A493 HydrophobicContact CG1-CB 4.02Å; V187-A493 HydrophobicContact CG2-CB 4.01Å; V187-I494 HydrophobicContact CB-CD1 4.37Å; V187-I494 HydrophobicContact CG1-CD1 4.29Å; V187-I494 HydrophobicContact CG1-CG1 3.92Å |
| 188 | A | 93.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.6 | -34.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A184 G185 L558 | A184-A188 PolarHBondContact O-N 3.16Å; G185-A188 PolarHBondContact O-N 3.11Å; A188-L558 HydrophobicContact CB-CB 4.4Å |
| 189 | L | 94.8 | Very high | 91.2 | Very high | 52 Ų | 52 | 32.4 Ų | 32.4 | 27% | 0.272 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -67.5 | -43.1 | 176.1 | -75.1 | 176.7 | 0 | 0 | 0 | 112.7 | G185 S186 V187 R560 V564 L567 | G185-L189 WeakPolarHBondContact O-CG 3.49Å; G185-L189 PolarHBondContact O-N 3.08Å; S186-L189 PolarHBondContact O-N 2.94Å; V187-L189 VanDerWaalsContact C-N 3.34Å; V187-L189 PolarHBondContact O-N 3.08Å; L189-R560 HydrophobicContact CD2-CB 4.09Å; L189-R560 WeakPolarHBondContact CD2-O 3.37Å; L189-R560 PolarHBondContact O-NE 3.24Å; L189-V564 HydrophobicContact CD2-CG2 3.79Å; L189-L567 HydrophobicContact CD1-CD1 3.5Å; L189-L567 VanDerWaalsContact CD1-CD1 3.5Å |
| 190 | V | 92.8 | Very high | 91 | Very high | 48 Ų | 48 | 32.6 Ų | 32.6 | 29% | 0.291 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.4 | -50.7 | -175.8 | 163.6 | 0 | 0 | 0 | 0 | 111.2 | S186 V187 V482 A485 R486 | S186-V190 WeakPolarHBondContact O-CB 3.47Å; S186-V190 VanDerWaalsContact O-CG2 3.23Å; S186-V190 WeakPolarHBondContact O-CG2 3.3Å; S186-V190 PolarHBondContact O-N 2.86Å; S186-V190 VanDerWaalsContact O-N 3.07Å; V187-V190 PolarHBondContact O-N 3.25Å; V190-V482 HydrophobicContact CG2-CG1 4.06Å; V190-A485 HydrophobicContact CG1-CB 4.35Å; V190-R486 HydrophobicContact CG1-CB 4.35Å; V190-R486 HydrophobicContact CG1-CG 3.41Å; V190-R486 VanDerWaalsContact CG1-CG 3.41Å |
| 191 | K | 89.6 | Confident | 90.8 | Very high | 89 Ų | 89 | 34.8 Ų | 34.8 | 39% | 0.387 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -141.5 | 99.1 | -177.8 | -170.5 | 162.5 | -178.7 | 159.9 | 0 | 109.7 | V187 F193 A485 P490 | V187-K191 PolarHBondContact O-N 3.36Å; K191-F193 WeakPolarHBondContact O-CD1 3.37Å; K191-A485 WeakPolarHBondContact CD-O 3.47Å; K191-P490 HydrophobicContact CB-CB 4.43Å; K191-P490 HydrophobicContact CB-CG 4.48Å; K191-P490 HydrophobicContact CD-CG 4.26Å; K191-P490 HydrophobicContact CG-CG 4.21Å |
| 192 | P | 90.1 | Very high | 90.7 | Very high | 57 Ų | 57 | 36.2 Ų | 36.2 | 37% | 0.37 | 19% | 0.193 | S | C | . | . | trans | -64.7 | 140.9 | 176.9 | 28.1 | -34.4 | 0 | 0 | 0 | 110.1 | L558 | P192-L558 VanDerWaalsContact CA-O 3.31Å; P192-L558 WeakPolarHBondContact CA-O 3.37Å | ||
| 193 | F | 90.7 | Very high | 90.5 | Very high | 18 Ų | 18 | 35.6 Ų | 35.6 | 8% | 0.079 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 160.3 | -171.7 | 71 | -73.4 | 0 | 0 | 0 | 112.6 | V187 K191 V195 P490 R491 I494 L558 | V187-F193 HydrophobicContact CG1-CE1 4.12Å; K191-F193 WeakPolarHBondContact O-CD1 3.37Å; F193-V195 HydrophobicContact CD2-CG2 3.93Å; F193-V195 HydrophobicContact CE2-CB 4.36Å; F193-V195 HydrophobicContact CE2-CG2 3.2Å; F193-V195 HydrophobicContact CZ-CG2 3.58Å; F193-P490 HydrophobicContact CB-CB 4.46Å; F193-P490 HydrophobicContact CB-CG 3.76Å; F193-P490 HydrophobicContact CD1-CB 3.59Å; F193-P490 HydrophobicContact CD1-CG 3.86Å; F193-P490 HydrophobicContact CD2-CB 4.24Å; F193-P490 HydrophobicContact CD2-CG 3.99Å; F193-P490 HydrophobicContact CE1-CB 3.69Å; F193-P490 HydrophobicContact CE1-CG 4.39Å; F193-P490 HydrophobicContact CE2-CB 4.31Å; F193-P490 HydrophobicContact CE2-CG 4.49Å; F193-P490 HydrophobicContact CG-CB 3.85Å; F193-P490 HydrophobicContact CG-CG 3.6Å; F193-P490 HydrophobicContact CZ-CB 4.03Å; F193-P490 VanDerWaalsContact CZ-O 3.26Å; F193-P490 WeakPolarHBondContact CZ-O 3.37Å; F193-R491 HydrophobicContact CD2-CB 4.47Å; F193-R491 HydrophobicContact CD2-CG 3.52Å; F193-R491 HydrophobicContact CE2-CB 4.16Å; F193-R491 HydrophobicContact CE2-CG 3.62Å; F193-I494 HydrophobicContact CE1-CG1 4.12Å; F193-I494 HydrophobicContact CZ-CB 3.99Å; F193-I494 HydrophobicContact CZ-CG1 3.54Å; F193-L558 HydrophobicContact CD1-CB 4.39Å; F193-L558 HydrophobicContact CE1-CB 4.21Å; F193-L558 HydrophobicContact CE1-CD2 4.38Å; F193-L558 HydrophobicContact CZ-CD2 4.36Å; F193-L558 PolarHBondContact N-O 3.11Å; F193-L558 PolarHBondContact O-N 2.9Å |
| 194 | T | 87.7 | Confident | 90.5 | Very high | 66 Ų | 66 | 35.6 Ų | 35.6 | 41% | 0.405 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 122.9 | 171.6 | 52.1 | 0 | 0 | 0 | 0 | 110.1 | R491 F556 H557 | T194-R491 PolarHBondContact O-NE 3.28Å; T194-R491 PolarHBondContact O-NH2 3.33Å; T194-R491 PolarHBondContact OG1-NH2 3.37Å; T194-F556 WeakPolarHBondContact CA-O 3.43Å; T194-H557 VanDerWaalsContact CG2-ND1 3.26Å; T194-H557 WeakPolarHBondContact CG2-ND1 3.41Å |
| 195 | V | 85.7 | Confident | 90.6 | Very high | 18 Ų | 18 | 39.1 Ų | 39.1 | 11% | 0.109 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -83.7 | 147.7 | 175.8 | 169.1 | 0 | 0 | 0 | 0 | 109.8 | F193 S197 F200 F556 L558 | F193-V195 HydrophobicContact CD2-CG2 3.93Å; F193-V195 HydrophobicContact CE2-CB 4.36Å; F193-V195 HydrophobicContact CE2-CG2 3.2Å; F193-V195 HydrophobicContact CZ-CG2 3.58Å; V195-S197 PolarHBondContact O-N 3.33Å; V195-F200 HydrophobicContact CG1-CB 3.39Å; V195-F200 HydrophobicContact CG1-CD2 3.88Å; V195-F200 HydrophobicContact CG1-CG 3.77Å; V195-F556 PolarHBondContact N-O 3.04Å; V195-L558 HydrophobicContact CB-CD1 3.79Å; V195-L558 HydrophobicContact CG2-CD1 3.31Å; V195-L558 HydrophobicContact CG2-CD2 3.9Å; V195-L558 HydrophobicContact CG2-CG 4.07Å |
| 196 | A | 84.8 | Confident | 90.6 | Very high | 35 Ų | 35 | 40.5 Ų | 40.5 | 29% | 0.289 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -71.6 | 118.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | R198 P199 F200 | A196-R198 PolarHBondContact O-N 3.45Å; A196-P199 HydrophobicContact CB-CG 3.88Å; A196-P199 WeakPolarHBondContact O-CD 3.27Å; A196-F200 WeakPolarHBondContact O-CB 3.47Å; A196-F200 PolarHBondContact O-N 3.01Å |
| 197 | S | 86.8 | Confident | 90.6 | Very high | 48 Ų | 48 | 39.3 Ų | 39.3 | 34% | 0.336 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.9 | -46.8 | -172.7 | 54 | 0 | 0 | 0 | 0 | 114 | V195 L201 F556 | V195-S197 PolarHBondContact O-N 3.33Å; S197-L201 WeakPolarHBondContact O-CB 3.33Å; S197-L201 WeakPolarHBondContact O-CG 3.42Å; S197-L201 PolarHBondContact O-N 3.3Å; S197-F556 VanDerWaalsContact CA-CD1 3.49Å; S197-F556 VanDerWaalsContact CA-CE1 3.47Å; S197-F556 VanDerWaalsContact CB-CE1 3.41Å; S197-F556 VanDerWaalsContact CB-CE2 3.47Å |
| 198 | R | 86.6 | Confident | 90.7 | Very high | 178 Ų | 178 | 42 Ų | 42 | 67% | 0.672 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -66.3 | -51.3 | -177.5 | -61 | 179.4 | 178.5 | 173.9 | -0.8 | 113.3 | A196 F200 R202 | A196-R198 PolarHBondContact O-N 3.45Å; R198-F200 PolarHBondContact O-N 3.02Å; R198-R202 WeakPolarHBondContact O-CB 3.44Å; R198-R202 PolarHBondContact O-N 3.25Å |
| 199 | P | 86 | Confident | 90.8 | Very high | 27 Ų | 27 | 45.7 Ų | 45.7 | 18% | 0.175 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.3 | -42.7 | 176.8 | -25.9 | 36.3 | 0 | 0 | 0 | 113.1 | A196 R202 D203 | A196-P199 HydrophobicContact CB-CG 3.88Å; A196-P199 WeakPolarHBondContact O-CD 3.27Å; P199-R202 WeakPolarHBondContact O-CB 3.4Å; P199-R202 PolarHBondContact O-N 3.34Å; P199-D203 PolarHBondContact O-N 3.48Å; P199-D203 VanDerWaalsContact O-OD2 3.1Å |
| 200 | F | 89.2 | Confident | 90.8 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 2% | 0.022 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.2 | -49.5 | -179.6 | 177.3 | -93.6 | 0 | 0 | 0 | 112.7 | V195 A196 R198 R202 D203 V204 I494 F498 V551 | V195-F200 HydrophobicContact CG1-CB 3.39Å; V195-F200 HydrophobicContact CG1-CD2 3.88Å; V195-F200 HydrophobicContact CG1-CG 3.77Å; A196-F200 WeakPolarHBondContact O-CB 3.47Å; A196-F200 PolarHBondContact O-N 3.01Å; R198-F200 PolarHBondContact O-N 3.02Å; F200-R202 VanDerWaalsContact C-N 3.3Å; F200-R202 PolarHBondContact O-N 3.17Å; F200-D203 PolarHBondContact O-N 3.08Å; F200-V204 HydrophobicContact CD1-CG2 4.28Å; F200-V204 HydrophobicContact CD2-CG2 4.42Å; F200-V204 HydrophobicContact CE1-CG2 3.83Å; F200-V204 HydrophobicContact CE2-CG2 4.01Å; F200-V204 HydrophobicContact CZ-CG2 3.69Å; F200-V204 WeakPolarHBondContact O-CG2 3.46Å; F200-V204 PolarHBondContact O-N 2.88Å; F200-I494 HydrophobicContact CD2-CG2 4.38Å; F200-F498 HydrophobicContact CD2-CE2 4.37Å; F200-F498 AromaticContact CE2-CE2 3.8Å; F200-F498 HydrophobicContact CE2-CE2 3.8Å; F200-F498 HydrophobicContact CE2-CZ 4.07Å; F200-V551 HydrophobicContact CD1-CB 4.48Å; F200-V551 HydrophobicContact CD1-CG1 3.9Å; F200-V551 HydrophobicContact CE1-CB 3.62Å; F200-V551 HydrophobicContact CE1-CG1 3.48Å; F200-V551 VanDerWaalsContact CE1-CG1 3.48Å; F200-V551 HydrophobicContact CE1-CG2 3.96Å; F200-V551 HydrophobicContact CZ-CB 3.91Å; F200-V551 HydrophobicContact CZ-CG1 3.88Å; F200-V551 HydrophobicContact CZ-CG2 3.69Å |
| 201 | L | 90.6 | Very high | 90.9 | Very high | 47 Ų | 47 | 41.3 Ų | 41.3 | 25% | 0.246 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.4 | -40.9 | 177.5 | -74.1 | 173.6 | 0 | 0 | 0 | 111.5 | S197 I205 F548 P552 F556 | S197-L201 WeakPolarHBondContact O-CB 3.33Å; S197-L201 WeakPolarHBondContact O-CG 3.42Å; S197-L201 PolarHBondContact O-N 3.3Å; L201-I205 WeakPolarHBondContact O-CB 3.38Å; L201-I205 WeakPolarHBondContact O-CD1 3.47Å; L201-I205 WeakPolarHBondContact O-CG1 3.34Å; L201-I205 PolarHBondContact O-N 3.29Å; L201-F548 HydrophobicContact CD2-CD2 3.87Å; L201-F548 HydrophobicContact CD2-CE2 3.55Å; L201-F548 HydrophobicContact CD2-CZ 4.32Å; L201-P552 HydrophobicContact CD2-CG 4.07Å; L201-F556 HydrophobicContact CD1-CE1 4.14Å; L201-F556 HydrophobicContact CD1-CZ 3.95Å; L201-F556 HydrophobicContact CD2-CE1 4.5Å; L201-F556 HydrophobicContact CG-CE1 4.03Å; L201-F556 HydrophobicContact CG-CZ 4.34Å |
| 202 | R | 91.3 | Very high | 91 | Very high | 30 Ų | 30 | 43.8 Ų | 43.8 | 11% | 0.113 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -54.9 | -55.1 | 173 | 174.7 | -156.3 | 65.7 | -152.3 | -0.8 | 110.2 | R198 P199 F200 V204 I205 F206 T241 V242 | R198-R202 WeakPolarHBondContact O-CB 3.44Å; R198-R202 PolarHBondContact O-N 3.25Å; P199-R202 WeakPolarHBondContact O-CB 3.4Å; P199-R202 PolarHBondContact O-N 3.34Å; F200-R202 VanDerWaalsContact C-N 3.3Å; F200-R202 PolarHBondContact O-N 3.17Å; R202-V204 PolarHBondContact O-N 3.27Å; R202-I205 PolarHBondContact O-N 3.38Å; R202-F206 HydrophobicContact CG-CD2 3.77Å; R202-F206 HydrophobicContact CG-CE2 3.86Å; R202-F206 VanDerWaalsContact O-CD2 3.32Å; R202-F206 WeakPolarHBondContact O-CD2 3.06Å; R202-F206 PolarHBondContact O-N 3.19Å; R202-T241 HydrophobicContact CG-CG2 4.09Å; R202-V242 VanDerWaalsContact CZ-CG2 3.48Å |
| 203 | D | 91.7 | Very high | 91.2 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.6 | -44.3 | -174.9 | -63.6 | -23.8 | 0 | 0 | 0 | 111.6 | P199 F200 I205 F206 Y207 Y238 F498 I502 | P199-D203 PolarHBondContact O-N 3.48Å; P199-D203 VanDerWaalsContact O-OD2 3.1Å; F200-D203 PolarHBondContact O-N 3.08Å; D203-I205 PolarHBondContact O-N 3.1Å; D203-F206 PolarHBondContact O-N 3.34Å; D203-Y207 WeakPolarHBondContact O-CB 3.24Å; D203-Y207 PolarHBondContact O-N 2.87Å; D203-Y238 WeakPolarHBondContact OD1-CE2 3.17Å; D203-Y238 PolarHBondContact OD1-OH 3.39Å; D203-F498 HydrophobicContact CB-CB 3.96Å; D203-F498 HydrophobicContact CB-CG 4.42Å; D203-I502 HydrophobicContact CB-CD1 4.35Å; D203-I502 WeakPolarHBondContact O-CD1 3.4Å |
| 204 | V | 93.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64 | -40.9 | 176.7 | 176.9 | 0 | 0 | 0 | 0 | 112 | F200 R202 Y207 M208 F498 F548 | F200-V204 HydrophobicContact CD1-CG2 4.28Å; F200-V204 HydrophobicContact CD2-CG2 4.42Å; F200-V204 HydrophobicContact CE1-CG2 3.83Å; F200-V204 HydrophobicContact CE2-CG2 4.01Å; F200-V204 HydrophobicContact CZ-CG2 3.69Å; F200-V204 WeakPolarHBondContact O-CG2 3.46Å; F200-V204 PolarHBondContact O-N 2.88Å; R202-V204 PolarHBondContact O-N 3.27Å; V204-Y207 PolarHBondContact O-N 2.88Å; V204-M208 HydrophobicContact CG1-CG 4.4Å; V204-M208 WeakPolarHBondContact O-CB 3.32Å; V204-M208 VanDerWaalsContact O-CG 3.27Å; V204-M208 WeakPolarHBondContact O-CG 3.47Å; V204-M208 PolarHBondContact O-N 3.09Å; V204-F498 HydrophobicContact CG2-CD1 4.35Å; V204-F498 HydrophobicContact CG2-CE1 3.8Å; V204-F498 HydrophobicContact CG2-CZ 4.01Å; V204-F548 HydrophobicContact CG1-CB 4.02Å; V204-F548 HydrophobicContact CG1-CD2 3.94Å; V204-F548 HydrophobicContact CG1-CG 4.46Å |
| 205 | I | 94.9 | Very high | 91.2 | Very high | 75 Ų | 75 | 44.2 Ų | 44.2 | 39% | 0.385 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.4 | -48.5 | 178.6 | -71 | 164.7 | 0 | 0 | 0 | 111 | L201 R202 D203 Y207 M208 I209 F548 | L201-I205 WeakPolarHBondContact O-CB 3.38Å; L201-I205 WeakPolarHBondContact O-CD1 3.47Å; L201-I205 WeakPolarHBondContact O-CG1 3.34Å; L201-I205 PolarHBondContact O-N 3.29Å; R202-I205 PolarHBondContact O-N 3.38Å; D203-I205 PolarHBondContact O-N 3.1Å; I205-Y207 VanDerWaalsContact C-N 3.25Å; I205-Y207 PolarHBondContact O-N 2.87Å; I205-M208 PolarHBondContact O-N 3.2Å; I205-I209 HydrophobicContact CG2-CD1 3.95Å; I205-I209 WeakPolarHBondContact O-CG1 3.43Å; I205-I209 PolarHBondContact O-N 3.36Å; I205-F548 HydrophobicContact CD1-CE2 4.04Å; I205-F548 HydrophobicContact CG1-CD2 4.46Å; I205-F548 HydrophobicContact CG1-CE2 3.75Å |
| 206 | F | 95.3 | Very high | 91.4 | Very high | 29 Ų | 29 | 45.6 Ų | 45.6 | 13% | 0.127 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.7 | -38.2 | 177.8 | -87.7 | -87.1 | 0 | 0 | 0 | 111.3 | R202 D203 I209 A210 L234 V237 Y238 T241 | R202-F206 HydrophobicContact CG-CD2 3.77Å; R202-F206 HydrophobicContact CG-CE2 3.86Å; R202-F206 VanDerWaalsContact O-CD2 3.32Å; R202-F206 WeakPolarHBondContact O-CD2 3.06Å; R202-F206 PolarHBondContact O-N 3.19Å; D203-F206 PolarHBondContact O-N 3.34Å; F206-I209 PolarHBondContact O-N 2.94Å; F206-A210 WeakPolarHBondContact O-CB 3.38Å; F206-A210 PolarHBondContact O-N 3.27Å; F206-L234 HydrophobicContact CD1-CD1 3.95Å; F206-L234 HydrophobicContact CE1-CD1 3.86Å; F206-V237 HydrophobicContact CE1-CG1 4.08Å; F206-V237 HydrophobicContact CZ-CG1 4.11Å; F206-Y238 HydrophobicContact CB-CD2 3.84Å; F206-Y238 HydrophobicContact CB-CE2 4.35Å; F206-Y238 HydrophobicContact CD1-CD2 4.08Å; F206-Y238 HydrophobicContact CD1-CG 4.45Å; F206-Y238 AromaticContact CD2-CD2 3.94Å; F206-Y238 HydrophobicContact CD2-CD2 3.94Å; F206-Y238 AromaticContact CG-CD2 3.69Å; F206-Y238 HydrophobicContact CG-CD2 3.69Å; F206-Y238 HydrophobicContact CG-CG 4.47Å; F206-T241 HydrophobicContact CE2-CG2 4.34Å |
| 207 | Y | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.7 | -40.8 | 176.8 | -169.8 | -153.1 | 0 | 0 | 0 | 112.5 | G176 T180 D203 V204 I205 I209 A210 V211 F498 I501 I502 L540 L544 | G176-Y207 WeakPolarHBondContact CA-OH 3.48Å; T180-Y207 HydrophobicContact CG2-CD1 4.29Å; T180-Y207 HydrophobicContact CG2-CE1 3.68Å; D203-Y207 WeakPolarHBondContact O-CB 3.24Å; D203-Y207 PolarHBondContact O-N 2.87Å; V204-Y207 PolarHBondContact O-N 2.88Å; I205-Y207 VanDerWaalsContact C-N 3.25Å; I205-Y207 PolarHBondContact O-N 2.87Å; Y207-I209 VanDerWaalsContact C-N 3.32Å; Y207-I209 PolarHBondContact O-N 3.29Å; Y207-A210 HydrophobicContact CD2-CB 4.46Å; Y207-A210 WeakPolarHBondContact O-CB 3.47Å; Y207-A210 PolarHBondContact O-N 3.08Å; Y207-V211 HydrophobicContact CD2-CG2 3.73Å; Y207-V211 HydrophobicContact CE2-CG2 3.33Å; Y207-V211 HydrophobicContact CG-CG2 4.45Å; Y207-V211 WeakPolarHBondContact O-CG2 3.36Å; Y207-V211 PolarHBondContact O-N 2.94Å; Y207-F498 HydrophobicContact CD1-CD1 4.25Å; Y207-F498 HydrophobicContact CD1-CE1 4.49Å; Y207-I501 HydrophobicContact CD2-CG2 4.4Å; Y207-I501 HydrophobicContact CE1-CG2 3.95Å; Y207-I501 HydrophobicContact CE2-CG2 3.53Å; Y207-I501 WeakPolarHBondContact OH-CG2 3.42Å; Y207-I502 HydrophobicContact CD2-CG1 4.14Å; Y207-I502 HydrophobicContact CG-CG1 4.07Å; Y207-L540 HydrophobicContact CE1-CD1 4Å; Y207-L540 WeakPolarHBondContact OH-CD1 3.36Å; Y207-L540 VanDerWaalsContact OH-CD2 3.23Å; Y207-L540 WeakPolarHBondContact OH-CD2 3.45Å; Y207-L544 HydrophobicContact CD1-CD1 3.54Å; Y207-L544 HydrophobicContact CD1-CD2 3.47Å; Y207-L544 VanDerWaalsContact CD1-CD2 3.47Å; Y207-L544 HydrophobicContact CD1-CG 4.12Å; Y207-L544 HydrophobicContact CE1-CD1 3.67Å; Y207-L544 HydrophobicContact CE1-CD2 3.72Å; Y207-L544 HydrophobicContact CE1-CG 4.18Å; Y207-L544 HydrophobicContact CG-CD1 4.05Å |
| 208 | M | 95.1 | Very high | 91.5 | Very high | 57 Ų | 57 | 42.5 Ų | 42.5 | 28% | 0.281 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57.9 | -43.1 | 172.8 | -79.6 | -67.4 | -67.9 | 0 | 0 | 112.2 | V204 I205 F212 L544 V545 | V204-M208 HydrophobicContact CG1-CG 4.4Å; V204-M208 WeakPolarHBondContact O-CB 3.32Å; V204-M208 VanDerWaalsContact O-CG 3.27Å; V204-M208 WeakPolarHBondContact O-CG 3.47Å; V204-M208 PolarHBondContact O-N 3.09Å; I205-M208 PolarHBondContact O-N 3.2Å; M208-F212 VanDerWaalsContact O-CB 3.27Å; M208-F212 WeakPolarHBondContact O-CB 3.26Å; M208-F212 PolarHBondContact O-N 3.29Å; M208-L544 HydrophobicContact CG-CB 4.04Å; M208-L544 HydrophobicContact CG-CD1 4.29Å; M208-L544 HydrophobicContact SD-CB 3.26Å; M208-L544 WeakPolarHBondContact SD-CB 3.38Å; M208-L544 HydrophobicContact SD-CD1 3.75Å; M208-L544 HydrophobicContact SD-CG 4.15Å; M208-V545 HydrophobicContact CE-CG2 3.42Å; M208-V545 VanDerWaalsContact CE-CG2 3.42Å; M208-V545 HydrophobicContact SD-CG2 4.2Å |
| 209 | I | 95.7 | Very high | 91.5 | Very high | 76 Ų | 76 | 42.5 Ų | 42.5 | 39% | 0.39 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.6 | -45.5 | 175.5 | -66 | 166 | 0 | 0 | 0 | 110.3 | I205 F206 Y207 F212 W213 L234 | I205-I209 HydrophobicContact CG2-CD1 3.95Å; I205-I209 WeakPolarHBondContact O-CG1 3.43Å; I205-I209 PolarHBondContact O-N 3.36Å; F206-I209 PolarHBondContact O-N 2.94Å; Y207-I209 VanDerWaalsContact C-N 3.32Å; Y207-I209 PolarHBondContact O-N 3.29Å; I209-F212 PolarHBondContact O-N 3.49Å; I209-W213 WeakPolarHBondContact O-CB 3.4Å; I209-W213 PolarHBondContact O-N 3.41Å; I209-L234 HydrophobicContact CG2-CD2 3.77Å |
| 210 | A | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.2 | -48.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F206 Y207 W213 T214 M505 L506 | F206-A210 WeakPolarHBondContact O-CB 3.38Å; F206-A210 PolarHBondContact O-N 3.27Å; Y207-A210 HydrophobicContact CD2-CB 4.46Å; Y207-A210 WeakPolarHBondContact O-CB 3.47Å; Y207-A210 PolarHBondContact O-N 3.08Å; A210-W213 PolarHBondContact O-N 2.93Å; A210-T214 WeakPolarHBondContact O-CB 3.41Å; A210-T214 PolarHBondContact O-N 3.48Å; A210-T214 PolarHBondContact O-OG1 3.36Å; A210-M505 HydrophobicContact CB-CG 4.35Å; A210-L506 HydrophobicContact CB-CD1 4.47Å; A210-L506 HydrophobicContact CB-CD2 3.5Å; A210-L506 HydrophobicContact CB-CG 3.94Å |
| 211 | V | 93.7 | Very high | 91.3 | Very high | 9 Ų | 9 | 47.6 Ų | 47.6 | 6% | 0.055 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.7 | -44.8 | 178.5 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | F173 Y207 T214 F215 L540 L544 | F173-V211 HydrophobicContact CE1-CG1 4.16Å; Y207-V211 HydrophobicContact CD2-CG2 3.73Å; Y207-V211 HydrophobicContact CE2-CG2 3.33Å; Y207-V211 HydrophobicContact CG-CG2 4.45Å; Y207-V211 WeakPolarHBondContact O-CG2 3.36Å; Y207-V211 PolarHBondContact O-N 2.94Å; V211-T214 PolarHBondContact O-N 3.25Å; V211-F215 WeakPolarHBondContact O-CB 3.04Å; V211-F215 PolarHBondContact O-N 3.4Å; V211-L540 HydrophobicContact CG1-CD2 4.16Å; V211-L540 HydrophobicContact CG1-CG 4.41Å; V211-L540 HydrophobicContact CG2-CD2 3.71Å; V211-L540 HydrophobicContact CG2-CG 4.22Å; V211-L544 HydrophobicContact CG2-CD1 4.05Å |
| 212 | F | 93.1 | Very high | 91 | Very high | 141 Ų | 141 | 47.6 Ų | 47.6 | 62% | 0.618 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -63 | -45.1 | 178.2 | 179.8 | -100.7 | 0 | 0 | 0 | 112.2 | M208 I209 T214 F215 V216 | M208-F212 VanDerWaalsContact O-CB 3.27Å; M208-F212 WeakPolarHBondContact O-CB 3.26Å; M208-F212 PolarHBondContact O-N 3.29Å; I209-F212 PolarHBondContact O-N 3.49Å; F212-T214 VanDerWaalsContact C-N 3.35Å; F212-T214 PolarHBondContact O-N 2.95Å; F212-F215 WeakPolarHBondContact O-CB 3.24Å; F212-F215 PolarHBondContact O-N 2.94Å; F212-V216 HydrophobicContact CD1-CG2 4.45Å; F212-V216 HydrophobicContact CE1-CG2 4.03Å; F212-V216 HydrophobicContact CE2-CG2 4.49Å; F212-V216 HydrophobicContact CZ-CG2 4.05Å; F212-V216 WeakPolarHBondContact O-CG2 3.44Å; F212-V216 PolarHBondContact O-N 2.81Å |
| 213 | W | 93.3 | Very high | 90.6 | Very high | 74 Ų | 74 | 46.3 Ų | 46.3 | 28% | 0.28 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.3 | -43.3 | 177.2 | -162.8 | -17.9 | 0 | 0 | 0 | 111.1 | I209 A210 F215 V216 I217 Y231 L234 | I209-W213 WeakPolarHBondContact O-CB 3.4Å; I209-W213 PolarHBondContact O-N 3.41Å; A210-W213 PolarHBondContact O-N 2.93Å; W213-F215 VanDerWaalsContact C-N 3.32Å; W213-F215 PolarHBondContact O-N 3.37Å; W213-V216 WeakPolarHBondContact O-CB 3.37Å; W213-V216 PolarHBondContact O-N 3.4Å; W213-V216 VanDerWaalsContact O-N 3.14Å; W213-I217 PolarHBondContact O-N 2.9Å; W213-Y231 HydrophobicContact CB-CE2 4.37Å; W213-Y231 HydrophobicContact CD2-CD2 4.11Å; W213-Y231 HydrophobicContact CE3-CD2 4.27Å; W213-Y231 HydrophobicContact CG-CD2 4.27Å; W213-Y231 HydrophobicContact CG-CE2 4.45Å; W213-L234 HydrophobicContact CE3-CD2 4.04Å; W213-L234 HydrophobicContact CZ3-CD2 4.19Å |
| 214 | T | 90.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.6 | -40.8 | 176.7 | -49.3 | 0 | 0 | 0 | 0 | 111.7 | V169 F173 A210 V211 F212 V216 I217 L218 Y231 M505 | V169-T214 HydrophobicContact CG1-CG2 3.42Å; V169-T214 VanDerWaalsContact CG1-CG2 3.42Å; F173-T214 HydrophobicContact CE1-CG2 4.02Å; F173-T214 HydrophobicContact CZ-CG2 3.65Å; A210-T214 WeakPolarHBondContact O-CB 3.41Å; A210-T214 PolarHBondContact O-N 3.48Å; A210-T214 PolarHBondContact O-OG1 3.36Å; V211-T214 PolarHBondContact O-N 3.25Å; F212-T214 VanDerWaalsContact C-N 3.35Å; F212-T214 PolarHBondContact O-N 2.95Å; T214-V216 VanDerWaalsContact C-N 3.35Å; T214-V216 PolarHBondContact O-N 3.39Å; T214-I217 WeakPolarHBondContact O-CB 3.5Å; T214-I217 PolarHBondContact O-N 3Å; T214-L218 PolarHBondContact O-N 3.44Å; T214-Y231 PolarHBondContact OG1-OH 3.43Å; T214-M505 HydrophobicContact CG2-SD 4.1Å |
| 215 | F | 89.3 | Confident | 90.3 | Very high | 73 Ų | 73 | 53.7 Ų | 53.7 | 32% | 0.32 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 173.8 | 179 | -86.8 | 0 | 0 | 0 | 112 | V211 F212 W213 I217 L218 Y219 W534 A537 | V211-F215 WeakPolarHBondContact O-CB 3.04Å; V211-F215 PolarHBondContact O-N 3.4Å; F212-F215 WeakPolarHBondContact O-CB 3.24Å; F212-F215 PolarHBondContact O-N 2.94Å; W213-F215 VanDerWaalsContact C-N 3.32Å; W213-F215 PolarHBondContact O-N 3.37Å; F215-I217 VanDerWaalsContact C-N 3.33Å; F215-I217 PolarHBondContact O-N 3.41Å; F215-L218 PolarHBondContact O-N 2.92Å; F215-Y219 WeakPolarHBondContact O-CB 3.4Å; F215-Y219 PolarHBondContact O-N 2.89Å; F215-W534 HydrophobicContact CD2-CE3 4.2Å; F215-W534 AromaticContact CD2-CZ3 3.92Å; F215-W534 HydrophobicContact CD2-CZ3 3.92Å; F215-W534 HydrophobicContact CE1-CZ3 4.28Å; F215-W534 AromaticContact CE2-CE3 3.47Å; F215-W534 HydrophobicContact CE2-CE3 3.47Å; F215-W534 VanDerWaalsContact CE2-CE3 3.47Å; F215-W534 AromaticContact CE2-CZ3 3.41Å; F215-W534 HydrophobicContact CE2-CZ3 3.41Å; F215-W534 VanDerWaalsContact CE2-CZ3 3.41Å; F215-W534 AromaticContact CZ-CE3 3.92Å; F215-W534 HydrophobicContact CZ-CE3 3.92Å; F215-W534 AromaticContact CZ-CZ3 3.59Å; F215-W534 HydrophobicContact CZ-CZ3 3.59Å; F215-A537 HydrophobicContact CD2-CB 4.09Å |
| 216 | V | 89.4 | Confident | 90 | Very high | 48 Ų | 48 | 52.6 Ų | 52.6 | 29% | 0.291 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 176.1 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | F212 W213 T214 Y219 R220 | F212-V216 HydrophobicContact CD1-CG2 4.45Å; F212-V216 HydrophobicContact CE1-CG2 4.03Å; F212-V216 HydrophobicContact CE2-CG2 4.49Å; F212-V216 HydrophobicContact CZ-CG2 4.05Å; F212-V216 WeakPolarHBondContact O-CG2 3.44Å; F212-V216 PolarHBondContact O-N 2.81Å; W213-V216 WeakPolarHBondContact O-CB 3.37Å; W213-V216 PolarHBondContact O-N 3.4Å; W213-V216 VanDerWaalsContact O-N 3.14Å; T214-V216 VanDerWaalsContact C-N 3.35Å; T214-V216 PolarHBondContact O-N 3.39Å; V216-Y219 PolarHBondContact O-N 3.18Å; V216-R220 WeakPolarHBondContact O-CG 3.23Å; V216-R220 PolarHBondContact O-N 3.29Å |
| 217 | I | 87.8 | Confident | 89.7 | Confident | 12 Ų | 12 | 52.7 Ų | 52.7 | 6% | 0.062 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.7 | -50.2 | 175.1 | -77.9 | 165.6 | 0 | 0 | 0 | 110.6 | W213 T214 F215 Y219 R220 G221 T223 F526 | W213-I217 PolarHBondContact O-N 2.9Å; T214-I217 WeakPolarHBondContact O-CB 3.5Å; T214-I217 PolarHBondContact O-N 3Å; F215-I217 VanDerWaalsContact C-N 3.33Å; F215-I217 PolarHBondContact O-N 3.41Å; I217-Y219 VanDerWaalsContact C-N 3.34Å; I217-Y219 PolarHBondContact O-N 2.96Å; I217-R220 PolarHBondContact O-N 3.48Å; I217-G221 PolarHBondContact O-N 3.01Å; I217-G221 VanDerWaalsContact O-N 3.08Å; I217-T223 WeakPolarHBondContact CG2-OG1 3.39Å; I217-F526 HydrophobicContact CG2-CD2 3.82Å; I217-F526 HydrophobicContact CG2-CE2 3.51Å; I217-F526 HydrophobicContact CG2-CG 4.48Å; I217-F526 HydrophobicContact CG2-CZ 3.93Å |
| 218 | L | 86 | Confident | 89.5 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 178.1 | -70.1 | -179.4 | 0 | 0 | 0 | 112.2 | V169 F173 T214 F215 R220 G221 F526 T533 W534 | V169-L218 HydrophobicContact CB-CD2 4.31Å; V169-L218 HydrophobicContact CG1-CD1 3.81Å; V169-L218 HydrophobicContact CG1-CD2 4.15Å; V169-L218 HydrophobicContact CG1-CG 4.16Å; F173-L218 HydrophobicContact CD2-CD1 4.48Å; F173-L218 HydrophobicContact CE2-CD1 3.51Å; F173-L218 HydrophobicContact CZ-CD1 4.17Å; T214-L218 PolarHBondContact O-N 3.44Å; F215-L218 PolarHBondContact O-N 2.92Å; L218-R220 VanDerWaalsContact C-N 3.29Å; L218-R220 PolarHBondContact O-N 2.85Å; L218-G221 PolarHBondContact O-N 3.05Å; L218-G221 VanDerWaalsContact O-N 3.16Å; L218-F526 HydrophobicContact CD2-CB 4.1Å; L218-F526 HydrophobicContact CD2-CD1 3.85Å; L218-F526 HydrophobicContact CD2-CG 4.12Å; L218-T533 HydrophobicContact CD1-CG2 4.23Å; L218-W534 HydrophobicContact CB-CH2 4.42Å |
| 219 | Y | 86.5 | Confident | 89.3 | Confident | 177 Ų | 177 | 54.5 Ų | 54.5 | 69% | 0.694 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63.5 | -34.6 | 177.2 | -178.2 | -98.1 | 0 | 0 | 0 | 113.1 | F215 V216 I217 W534 | F215-Y219 WeakPolarHBondContact O-CB 3.4Å; F215-Y219 PolarHBondContact O-N 2.89Å; V216-Y219 PolarHBondContact O-N 3.18Å; I217-Y219 VanDerWaalsContact C-N 3.34Å; I217-Y219 PolarHBondContact O-N 2.96Å; Y219-W534 HydrophobicContact CD2-CH2 4.08Å |
| 220 | R | 87.4 | Confident | 89.2 | Confident | 120 Ų | 120 | 51.8 Ų | 51.8 | 45% | 0.453 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -81.5 | -15.3 | 176.4 | -72.9 | -178.7 | 59.1 | -153 | -13.9 | 113.5 | V216 I217 L218 T222 E227 | V216-R220 WeakPolarHBondContact O-CG 3.23Å; V216-R220 PolarHBondContact O-N 3.29Å; I217-R220 PolarHBondContact O-N 3.48Å; L218-R220 VanDerWaalsContact C-N 3.29Å; L218-R220 PolarHBondContact O-N 2.85Å; R220-T222 PolarHBondContact O-N 3.49Å; R220-T222 PolarHBondContact O-OG1 2.99Å; R220-E227 IonicContact CZ-OE1 3.69Å; R220-E227 IonicContact NH1-OE1 2.63Å; R220-E227 PolarHBondContact NH1-OE1 3.22Å; R220-E227 IonicContact NH1-OE2 3.95Å |
| 221 | G | 83.4 | Confident | 89 | Confident | 20 Ų | 20 | 52 Ų | 52 | 21% | 0.206 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 2.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | I217 L218 Q525 F526 | I217-G221 PolarHBondContact O-N 3.01Å; I217-G221 VanDerWaalsContact O-N 3.08Å; L218-G221 PolarHBondContact O-N 3.05Å; L218-G221 VanDerWaalsContact O-N 3.16Å; G221-Q525 WeakPolarHBondContact O-CA 3.43Å; G221-F526 PolarHBondContact O-N 2.97Å |
| 222 | T | 83.2 | Confident | 89 | Confident | 46 Ų | 46 | 53 Ų | 53 | 28% | 0.282 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 142.4 | -175.1 | 52.3 | 0 | 0 | 0 | 0 | 110.1 | R220 Y523 V524 | R220-T222 PolarHBondContact O-N 3.49Å; R220-T222 PolarHBondContact O-OG1 2.99Å; T222-Y523 HydrophobicContact CG2-CD2 3.93Å; T222-Y523 HydrophobicContact CG2-CE2 4.24Å; T222-V524 WeakPolarHBondContact CA-O 3.46Å |
| 223 | T | 84.6 | Confident | 89 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 137.8 | 176.8 | -65.3 | 0 | 0 | 0 | 0 | 112 | I217 E227 I228 V524 F526 | I217-T223 WeakPolarHBondContact CG2-OG1 3.39Å; T223-E227 HydrophobicContact CG2-CB 3.91Å; T223-I228 HydrophobicContact CG2-CD1 4.04Å; T223-I228 HydrophobicContact CG2-CG1 3.59Å; T223-V524 PolarHBondContact N-O 2.95Å; T223-V524 VanDerWaalsContact N-O 3.08Å; T223-V524 PolarHBondContact O-N 3.27Å; T223-F526 VanDerWaalsContact OG1-CE2 3.28Å; T223-F526 WeakPolarHBondContact OG1-CE2 3.4Å |
| 224 | T | 88.8 | Confident | 89.1 | Confident | 69 Ų | 69 | 50.3 Ų | 50.3 | 42% | 0.423 | 26% | 0.264 | S | S | . | . | trans | -95.5 | 158.2 | 178.5 | 63 | 0 | 0 | 0 | 0 | 112.3 | G226 E227 I228 | T224-G226 PolarHBondContact O-N 3.14Å; T224-E227 PolarHBondContact N-OE2 2.88Å; T224-E227 PolarHBondContact O-N 2.61Å; T224-E227 VanDerWaalsContact O-N 3.08Å; T224-E227 WeakPolarHBondContact OG1-CG 3.45Å; T224-E227 PolarHBondContact OG1-N 2.93Å; T224-E227 PolarHBondContact OG1-OE2 3.4Å; T224-I228 PolarHBondContact O-N 3.39Å; T224-I228 VanDerWaalsContact O-N 3.14Å | ||
| 225 | L | 88.4 | Confident | 89.2 | Confident | 90 Ų | 90 | 52.5 Ų | 52.5 | 47% | 0.471 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -53.4 | -40.2 | 174.4 | 174.6 | 62.4 | 0 | 0 | 0 | 112.5 | E227 I228 L229 L514 M517 | L225-E227 VanDerWaalsContact C-N 3.31Å; L225-E227 PolarHBondContact O-N 2.79Å; L225-I228 PolarHBondContact O-N 3.01Å; L225-L229 HydrophobicContact CD1-CD1 4Å; L225-L229 HydrophobicContact CD1-CG 3.97Å; L225-L229 HydrophobicContact CG-CD1 4.02Å; L225-L229 HydrophobicContact CG-CG 4.37Å; L225-L229 WeakPolarHBondContact O-CG 3.11Å; L225-L229 PolarHBondContact O-N 3.4Å; L225-L514 HydrophobicContact CD1-CD1 4.21Å; L225-M517 HydrophobicContact CB-CE 3.98Å; L225-M517 HydrophobicContact CB-SD 3.63Å; L225-M517 HydrophobicContact CD1-CE 3.22Å; L225-M517 HydrophobicContact CD1-SD 3.98Å; L225-M517 HydrophobicContact CG-CE 4.15Å; L225-M517 HydrophobicContact CG-SD 4.34Å |
| 226 | G | 89.2 | Confident | 89.4 | Confident | 53 Ų | 53 | 52.6 Ų | 52.6 | 55% | 0.546 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63 | -37.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T224 G230 | T224-G226 PolarHBondContact O-N 3.14Å; G226-G230 PolarHBondContact O-N 2.95Å |
| 227 | E | 90 | Very high | 89.6 | Confident | 30 Ų | 30 | 52.3 Ų | 52.3 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.3 | -41.9 | 175.9 | -71.5 | 164.4 | 139.6 | 0 | 0 | 111.4 | R220 T223 T224 L225 G230 Y231 | R220-E227 IonicContact CZ-OE1 3.69Å; R220-E227 IonicContact NH1-OE1 2.63Å; R220-E227 PolarHBondContact NH1-OE1 3.22Å; R220-E227 IonicContact NH1-OE2 3.95Å; T223-E227 HydrophobicContact CG2-CB 3.91Å; T224-E227 PolarHBondContact N-OE2 2.88Å; T224-E227 PolarHBondContact O-N 2.61Å; T224-E227 VanDerWaalsContact O-N 3.08Å; T224-E227 WeakPolarHBondContact OG1-CG 3.45Å; T224-E227 PolarHBondContact OG1-N 2.93Å; T224-E227 PolarHBondContact OG1-OE2 3.4Å; L225-E227 VanDerWaalsContact C-N 3.31Å; L225-E227 PolarHBondContact O-N 2.79Å; E227-G230 PolarHBondContact O-N 3.08Å; E227-Y231 VanDerWaalsContact O-CB 3.3Å; E227-Y231 WeakPolarHBondContact O-CB 3.42Å; E227-Y231 PolarHBondContact O-N 3.2Å |
| 228 | I | 89.3 | Confident | 89.8 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 176.9 | -65 | 163.8 | 0 | 0 | 0 | 111 | T223 T224 L225 G230 Y231 L232 G510 C513 L514 M517 V524 | T223-I228 HydrophobicContact CG2-CD1 4.04Å; T223-I228 HydrophobicContact CG2-CG1 3.59Å; T224-I228 PolarHBondContact O-N 3.39Å; T224-I228 VanDerWaalsContact O-N 3.14Å; L225-I228 PolarHBondContact O-N 3.01Å; I228-G230 VanDerWaalsContact C-N 3.34Å; I228-Y231 WeakPolarHBondContact O-CB 3.39Å; I228-Y231 PolarHBondContact O-N 3.25Å; I228-L232 PolarHBondContact O-N 2.95Å; I228-G510 VanDerWaalsContact CG2-O 3.29Å; I228-G510 WeakPolarHBondContact CG2-O 3.3Å; I228-C513 HydrophobicContact CD1-CB 3.61Å; I228-C513 HydrophobicContact CG1-CB 3.77Å; I228-C513 HydrophobicContact CG2-CB 4.34Å; I228-L514 HydrophobicContact CG2-CB 3.96Å; I228-L514 HydrophobicContact CG2-CD1 4.31Å; I228-M517 HydrophobicContact CD1-CE 3.45Å; I228-M517 VanDerWaalsContact CD1-CE 3.45Å; I228-M517 HydrophobicContact CD1-SD 4.01Å; I228-V524 HydrophobicContact CD1-CG2 4.5Å |
| 229 | L | 91.9 | Very high | 89.9 | Confident | 92 Ų | 92 | 53.8 Ų | 53.8 | 48% | 0.482 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 176 | -69.4 | 176.9 | 0 | 0 | 0 | 111.7 | L225 Y231 L232 F233 | L225-L229 HydrophobicContact CD1-CD1 4Å; L225-L229 HydrophobicContact CD1-CG 3.97Å; L225-L229 HydrophobicContact CG-CD1 4.02Å; L225-L229 HydrophobicContact CG-CG 4.37Å; L225-L229 WeakPolarHBondContact O-CG 3.11Å; L225-L229 PolarHBondContact O-N 3.4Å; L229-Y231 VanDerWaalsContact C-N 3.27Å; L229-Y231 PolarHBondContact O-N 3.33Å; L229-L232 PolarHBondContact O-N 2.93Å; L229-F233 WeakPolarHBondContact O-CB 3.4Å; L229-F233 PolarHBondContact O-N 3.41Å |
| 230 | G | 93.1 | Very high | 90.1 | Very high | 19 Ų | 19 | 49.6 Ų | 49.6 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.2 | -37.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G226 E227 I228 F233 L234 | G226-G230 PolarHBondContact O-N 2.95Å; E227-G230 PolarHBondContact O-N 3.08Å; I228-G230 VanDerWaalsContact C-N 3.34Å; G230-F233 PolarHBondContact O-N 3.25Å; G230-L234 WeakPolarHBondContact O-CB 2.95Å; G230-L234 PolarHBondContact O-N 3.49Å |
| 231 | Y | 90.7 | Very high | 90.2 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.8 | -44.7 | 179.1 | -155.6 | -106.4 | 0 | 0 | 0 | 112.3 | W213 T214 E227 I228 L229 L234 Y235 M505 L506 V509 | W213-Y231 HydrophobicContact CB-CE2 4.37Å; W213-Y231 HydrophobicContact CD2-CD2 4.11Å; W213-Y231 HydrophobicContact CE3-CD2 4.27Å; W213-Y231 HydrophobicContact CG-CD2 4.27Å; W213-Y231 HydrophobicContact CG-CE2 4.45Å; T214-Y231 PolarHBondContact OG1-OH 3.43Å; E227-Y231 VanDerWaalsContact O-CB 3.3Å; E227-Y231 WeakPolarHBondContact O-CB 3.42Å; E227-Y231 PolarHBondContact O-N 3.2Å; I228-Y231 WeakPolarHBondContact O-CB 3.39Å; I228-Y231 PolarHBondContact O-N 3.25Å; L229-Y231 VanDerWaalsContact C-N 3.27Å; L229-Y231 PolarHBondContact O-N 3.33Å; Y231-L234 WeakPolarHBondContact O-CB 3.49Å; Y231-L234 PolarHBondContact O-N 3.48Å; Y231-Y235 PolarHBondContact O-N 3.31Å; Y231-M505 VanDerWaalsContact CE1-O 3.25Å; Y231-M505 WeakPolarHBondContact CE1-O 3.32Å; Y231-M505 VanDerWaalsContact OH-CG 3.29Å; Y231-M505 WeakPolarHBondContact OH-CG 3.33Å; Y231-M505 PolarHBondContact OH-O 3.21Å; Y231-L506 HydrophobicContact CD1-CD2 4.14Å; Y231-L506 WeakPolarHBondContact CD1-O 3.29Å; Y231-L506 HydrophobicContact CD2-CD2 4.01Å; Y231-L506 HydrophobicContact CE1-CB 4.36Å; Y231-L506 HydrophobicContact CE1-CD2 3.88Å; Y231-L506 WeakPolarHBondContact CE1-O 3.44Å; Y231-L506 HydrophobicContact CE2-CD2 3.72Å; Y231-L506 HydrophobicContact CG-CD2 4.2Å; Y231-V509 HydrophobicContact CE1-CB 3.96Å; Y231-V509 HydrophobicContact CE1-CG1 4.35Å |
| 232 | L | 92.7 | Very high | 90.4 | Very high | 31 Ų | 31 | 45.6 Ų | 45.6 | 16% | 0.162 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 171.3 | -70.3 | 175 | 0 | 0 | 0 | 112 | I228 L229 L234 Y235 V236 F507 L514 | I228-L232 PolarHBondContact O-N 2.95Å; L229-L232 PolarHBondContact O-N 2.93Å; L232-L234 VanDerWaalsContact C-N 3.33Å; L232-L234 PolarHBondContact O-N 3.25Å; L232-Y235 WeakPolarHBondContact O-CB 2.97Å; L232-Y235 PolarHBondContact O-N 3.05Å; L232-V236 PolarHBondContact O-N 3.2Å; L232-V236 VanDerWaalsContact O-N 3.13Å; L232-F507 HydrophobicContact CD2-CD2 4.14Å; L232-L514 HydrophobicContact CD1-CD2 4.09Å |
| 233 | F | 94.6 | Very high | 90.4 | Very high | 137 Ų | 137 | 47.2 Ų | 47.2 | 60% | 0.601 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62.2 | -40.8 | 175 | 176.5 | -102.4 | 0 | 0 | 0 | 111.6 | L229 G230 Y235 V236 V237 | L229-F233 WeakPolarHBondContact O-CB 3.4Å; L229-F233 PolarHBondContact O-N 3.41Å; G230-F233 PolarHBondContact O-N 3.25Å; F233-Y235 VanDerWaalsContact C-N 3.26Å; F233-Y235 PolarHBondContact O-N 3.3Å; F233-V236 WeakPolarHBondContact O-CB 3.48Å; F233-V236 PolarHBondContact O-N 3.3Å; F233-V236 VanDerWaalsContact O-N 3.11Å; F233-V237 HydrophobicContact CD1-CG2 3.99Å; F233-V237 HydrophobicContact CD2-CG2 4.5Å; F233-V237 HydrophobicContact CE1-CG2 3.52Å; F233-V237 HydrophobicContact CE2-CG2 4.08Å; F233-V237 HydrophobicContact CG-CG2 4.46Å; F233-V237 HydrophobicContact CZ-CG2 3.57Å; F233-V237 WeakPolarHBondContact O-CG2 3.41Å; F233-V237 PolarHBondContact O-N 3.48Å |
| 234 | L | 94.6 | Very high | 90.5 | Very high | 21 Ų | 21 | 51.7 Ų | 51.7 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59 | -38 | 175.5 | -177.1 | 62.1 | 0 | 0 | 0 | 111.8 | F206 I209 W213 G230 Y231 L232 V237 Y238 L506 | F206-L234 HydrophobicContact CD1-CD1 3.95Å; F206-L234 HydrophobicContact CE1-CD1 3.86Å; I209-L234 HydrophobicContact CG2-CD2 3.77Å; W213-L234 HydrophobicContact CE3-CD2 4.04Å; W213-L234 HydrophobicContact CZ3-CD2 4.19Å; G230-L234 WeakPolarHBondContact O-CB 2.95Å; G230-L234 PolarHBondContact O-N 3.49Å; Y231-L234 WeakPolarHBondContact O-CB 3.49Å; Y231-L234 PolarHBondContact O-N 3.48Å; L232-L234 VanDerWaalsContact C-N 3.33Å; L232-L234 PolarHBondContact O-N 3.25Å; L234-V237 PolarHBondContact O-N 2.99Å; L234-Y238 WeakPolarHBondContact O-CB 3.42Å; L234-Y238 PolarHBondContact O-N 3.13Å; L234-L506 HydrophobicContact CD2-CD1 4.3Å; L234-L506 HydrophobicContact CD2-CD2 3.87Å; L234-L506 HydrophobicContact CG-CD1 4.07Å; L234-L506 HydrophobicContact CG-CD2 4.38Å |
| 235 | Y | 92.1 | Very high | 90.3 | Very high | 47 Ų | 47 | 50.1 Ų | 50.1 | 18% | 0.184 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 173.1 | 179.5 | -107.2 | 0 | 0 | 0 | 112.4 | Y231 L232 F233 V237 Y238 V239 F503 L506 F507 | Y231-Y235 PolarHBondContact O-N 3.31Å; L232-Y235 WeakPolarHBondContact O-CB 2.97Å; L232-Y235 PolarHBondContact O-N 3.05Å; F233-Y235 VanDerWaalsContact C-N 3.26Å; F233-Y235 PolarHBondContact O-N 3.3Å; Y235-V237 VanDerWaalsContact C-N 3.32Å; Y235-V237 PolarHBondContact O-N 3.47Å; Y235-Y238 HydrophobicContact CD2-CD1 4.41Å; Y235-Y238 HydrophobicContact CE2-CD1 4.4Å; Y235-Y238 WeakPolarHBondContact O-CB 3.27Å; Y235-Y238 PolarHBondContact O-N 3.37Å; Y235-Y238 VanDerWaalsContact O-N 3.17Å; Y235-V239 HydrophobicContact CD1-CG2 4.36Å; Y235-V239 HydrophobicContact CD2-CG2 4.45Å; Y235-V239 HydrophobicContact CE1-CG2 3.85Å; Y235-V239 HydrophobicContact CE2-CG2 3.95Å; Y235-V239 WeakPolarHBondContact O-CG2 3.24Å; Y235-V239 PolarHBondContact O-N 2.88Å; Y235-F503 HydrophobicContact CE1-CD2 4.29Å; Y235-F503 HydrophobicContact CE1-CE2 4.47Å; Y235-F503 HydrophobicContact CE2-CB 4.18Å; Y235-F503 AromaticContact CE2-CD2 3.66Å; Y235-F503 HydrophobicContact CE2-CD2 3.66Å; Y235-F503 HydrophobicContact CE2-CG 4.38Å; Y235-F503 AromaticContact CZ-CD2 3.45Å; Y235-F503 VanDerWaalsContact CZ-CD2 3.45Å; Y235-F503 AromaticContact CZ-CE2 3.95Å; Y235-F503 WeakPolarHBondContact OH-CD2 3.34Å; Y235-F503 WeakPolarHBondContact OH-CE2 3.42Å; Y235-L506 HydrophobicContact CD2-CB 4.22Å; Y235-L506 HydrophobicContact CD2-CD1 4.5Å; Y235-L506 HydrophobicContact CG-CB 4.42Å; Y235-F507 HydrophobicContact CD1-CB 4.23Å; Y235-F507 AromaticContact CD1-CD2 3.96Å; Y235-F507 HydrophobicContact CD1-CD2 3.96Å; Y235-F507 HydrophobicContact CD1-CG 4.49Å; Y235-F507 HydrophobicContact CD2-CB 4.43Å; Y235-F507 HydrophobicContact CE1-CB 4.34Å; Y235-F507 HydrophobicContact CE1-CD2 4.07Å; Y235-F507 HydrophobicContact CE1-CG 4.43Å; Y235-F507 HydrophobicContact CG-CB 4.27Å |
| 236 | V | 92.5 | Very high | 89.9 | Confident | 75 Ų | 75 | 47.3 Ų | 47.3 | 46% | 0.455 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60 | -44.3 | 175.7 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | L232 F233 Y238 V239 L240 | L232-V236 PolarHBondContact O-N 3.2Å; L232-V236 VanDerWaalsContact O-N 3.13Å; F233-V236 WeakPolarHBondContact O-CB 3.48Å; F233-V236 PolarHBondContact O-N 3.3Å; F233-V236 VanDerWaalsContact O-N 3.11Å; V236-Y238 VanDerWaalsContact C-N 3.33Å; V236-Y238 PolarHBondContact O-N 3.28Å; V236-V239 PolarHBondContact O-N 3.04Å; V236-L240 HydrophobicContact CG1-CD1 3.97Å; V236-L240 HydrophobicContact CG1-CG 4.33Å; V236-L240 WeakPolarHBondContact O-CB 3.24Å; V236-L240 VanDerWaalsContact O-CG 3.29Å; V236-L240 WeakPolarHBondContact O-CG 3.15Å; V236-L240 PolarHBondContact O-N 2.86Å |
| 237 | V | 94.4 | Very high | 89.5 | Confident | 43 Ų | 43 | 48.7 Ų | 48.7 | 26% | 0.261 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 175.5 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | F206 F233 L234 Y235 L240 T241 | F206-V237 HydrophobicContact CE1-CG1 4.08Å; F206-V237 HydrophobicContact CZ-CG1 4.11Å; F233-V237 HydrophobicContact CD1-CG2 3.99Å; F233-V237 HydrophobicContact CD2-CG2 4.5Å; F233-V237 HydrophobicContact CE1-CG2 3.52Å; F233-V237 HydrophobicContact CE2-CG2 4.08Å; F233-V237 HydrophobicContact CG-CG2 4.46Å; F233-V237 HydrophobicContact CZ-CG2 3.57Å; F233-V237 WeakPolarHBondContact O-CG2 3.41Å; F233-V237 PolarHBondContact O-N 3.48Å; L234-V237 PolarHBondContact O-N 2.99Å; Y235-V237 VanDerWaalsContact C-N 3.32Å; Y235-V237 PolarHBondContact O-N 3.47Å; V237-L240 PolarHBondContact O-N 3.45Å; V237-T241 WeakPolarHBondContact O-CB 3.4Å; V237-T241 PolarHBondContact O-N 3.14Å; V237-T241 PolarHBondContact O-OG1 3.14Å |
| 238 | Y | 91.6 | Very high | 89.2 | Confident | 5 Ų | 5 | 51.2 Ų | 51.2 | 2% | 0.02 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.9 | -53.6 | 175 | 170.1 | -106.7 | 0 | 0 | 0 | 111.5 | V140 D203 F206 L234 Y235 V236 L240 T241 V242 I502 | V140-Y238 HydrophobicContact CG1-CE1 4.11Å; V140-Y238 VanDerWaalsContact CG1-OH 3.24Å; V140-Y238 WeakPolarHBondContact CG1-OH 3.45Å; D203-Y238 WeakPolarHBondContact OD1-CE2 3.17Å; D203-Y238 PolarHBondContact OD1-OH 3.39Å; F206-Y238 HydrophobicContact CB-CD2 3.84Å; F206-Y238 HydrophobicContact CB-CE2 4.35Å; F206-Y238 HydrophobicContact CD1-CD2 4.08Å; F206-Y238 HydrophobicContact CD1-CG 4.45Å; F206-Y238 AromaticContact CD2-CD2 3.94Å; F206-Y238 HydrophobicContact CD2-CD2 3.94Å; F206-Y238 AromaticContact CG-CD2 3.69Å; F206-Y238 HydrophobicContact CG-CD2 3.69Å; F206-Y238 HydrophobicContact CG-CG 4.47Å; L234-Y238 WeakPolarHBondContact O-CB 3.42Å; L234-Y238 PolarHBondContact O-N 3.13Å; Y235-Y238 HydrophobicContact CD2-CD1 4.41Å; Y235-Y238 HydrophobicContact CE2-CD1 4.4Å; Y235-Y238 WeakPolarHBondContact O-CB 3.27Å; Y235-Y238 PolarHBondContact O-N 3.37Å; Y235-Y238 VanDerWaalsContact O-N 3.17Å; V236-Y238 VanDerWaalsContact C-N 3.33Å; V236-Y238 PolarHBondContact O-N 3.28Å; Y238-L240 PolarHBondContact O-N 3.18Å; Y238-T241 WeakPolarHBondContact O-CB 3.45Å; Y238-T241 PolarHBondContact O-N 2.84Å; Y238-T241 VanDerWaalsContact O-N 3.12Å; Y238-V242 HydrophobicContact CD2-CG2 4.35Å; Y238-V242 HydrophobicContact CE1-CG2 4.1Å; Y238-V242 HydrophobicContact CE2-CG2 3.93Å; Y238-V242 VanDerWaalsContact O-CG2 3.31Å; Y238-V242 WeakPolarHBondContact O-CG2 3.17Å; Y238-V242 PolarHBondContact O-N 3.49Å; Y238-I502 HydrophobicContact CD1-CG2 3.9Å; Y238-I502 HydrophobicContact CE1-CG2 3.98Å; Y238-I502 HydrophobicContact CE2-CD1 3.88Å; Y238-I502 HydrophobicContact CG-CG2 4.18Å |
| 239 | V | 88.9 | Confident | 88.5 | Confident | 44 Ų | 44 | 58.1 Ų | 58.1 | 27% | 0.267 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 179.8 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | Y235 V236 T241 V242 L243 | Y235-V239 HydrophobicContact CD1-CG2 4.36Å; Y235-V239 HydrophobicContact CD2-CG2 4.45Å; Y235-V239 HydrophobicContact CE1-CG2 3.85Å; Y235-V239 HydrophobicContact CE2-CG2 3.95Å; Y235-V239 WeakPolarHBondContact O-CG2 3.24Å; Y235-V239 PolarHBondContact O-N 2.88Å; V236-V239 PolarHBondContact O-N 3.04Å; V239-T241 VanDerWaalsContact C-N 3.3Å; V239-T241 PolarHBondContact O-N 3.42Å; V239-V242 WeakPolarHBondContact O-CB 3.39Å; V239-V242 PolarHBondContact O-N 3.09Å; V239-V242 VanDerWaalsContact O-N 3.13Å; V239-L243 HydrophobicContact CG1-CD1 4.04Å; V239-L243 HydrophobicContact CG1-CG 4.35Å; V239-L243 WeakPolarHBondContact O-CG 3.4Å; V239-L243 PolarHBondContact O-N 2.9Å |
| 240 | L | 90 | Very high | 87.7 | Confident | 89 Ų | 89 | 57.5 Ų | 57.5 | 47% | 0.466 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.8 | -41.4 | 176.1 | -71.2 | 175.4 | 0 | 0 | 0 | 111.6 | V236 V237 Y238 V242 L243 I244 | V236-L240 HydrophobicContact CG1-CD1 3.97Å; V236-L240 HydrophobicContact CG1-CG 4.33Å; V236-L240 WeakPolarHBondContact O-CB 3.24Å; V236-L240 VanDerWaalsContact O-CG 3.29Å; V236-L240 WeakPolarHBondContact O-CG 3.15Å; V236-L240 PolarHBondContact O-N 2.86Å; V237-L240 PolarHBondContact O-N 3.45Å; Y238-L240 PolarHBondContact O-N 3.18Å; L240-V242 VanDerWaalsContact C-N 3.31Å; L240-V242 PolarHBondContact O-N 3.16Å; L240-L243 PolarHBondContact O-N 3.47Å; L240-I244 WeakPolarHBondContact O-CB 3.26Å; L240-I244 WeakPolarHBondContact O-CD1 3.43Å; L240-I244 WeakPolarHBondContact O-CG1 3.48Å; L240-I244 PolarHBondContact O-N 3.49Å |
| 241 | T | 90.2 | Very high | 87 | Confident | 50 Ų | 50 | 66 Ų | 66 | 31% | 0.307 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | 176.4 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | R202 F206 V237 Y238 V239 S245 | R202-T241 HydrophobicContact CG-CG2 4.09Å; F206-T241 HydrophobicContact CE2-CG2 4.34Å; V237-T241 WeakPolarHBondContact O-CB 3.4Å; V237-T241 PolarHBondContact O-N 3.14Å; V237-T241 PolarHBondContact O-OG1 3.14Å; Y238-T241 WeakPolarHBondContact O-CB 3.45Å; Y238-T241 PolarHBondContact O-N 2.84Å; Y238-T241 VanDerWaalsContact O-N 3.12Å; V239-T241 VanDerWaalsContact C-N 3.3Å; V239-T241 PolarHBondContact O-N 3.42Å; T241-S245 WeakPolarHBondContact O-CB 3.29Å; T241-S245 PolarHBondContact O-N 3.2Å |
| 242 | V | 86.5 | Confident | 86.4 | Confident | 5 Ų | 5 | 71.2 Ų | 71.2 | 3% | 0.03 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.5 | -49.5 | 174.7 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | V140 R202 Y238 V239 L240 S245 S246 | V140-V242 HydrophobicContact CB-CG1 4.38Å; V140-V242 HydrophobicContact CG1-CG1 4.06Å; V140-V242 HydrophobicContact CG1-CG2 4.02Å; R202-V242 VanDerWaalsContact CZ-CG2 3.48Å; Y238-V242 HydrophobicContact CD2-CG2 4.35Å; Y238-V242 HydrophobicContact CE1-CG2 4.1Å; Y238-V242 HydrophobicContact CE2-CG2 3.93Å; Y238-V242 VanDerWaalsContact O-CG2 3.31Å; Y238-V242 WeakPolarHBondContact O-CG2 3.17Å; Y238-V242 PolarHBondContact O-N 3.49Å; V239-V242 WeakPolarHBondContact O-CB 3.39Å; V239-V242 PolarHBondContact O-N 3.09Å; V239-V242 VanDerWaalsContact O-N 3.13Å; L240-V242 VanDerWaalsContact C-N 3.31Å; L240-V242 PolarHBondContact O-N 3.16Å; V242-S245 PolarHBondContact O-N 2.98Å; V242-S246 PolarHBondContact O-N 3.36Å |
| 243 | L | 85.1 | Confident | 85.5 | Confident | 80 Ų | 80 | 75.3 Ų | 75.3 | 42% | 0.419 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.5 | -47.7 | -179.3 | -66.5 | 176.1 | 0 | 0 | 0 | 111.6 | V239 L240 S245 S246 C247 | V239-L243 HydrophobicContact CG1-CD1 4.04Å; V239-L243 HydrophobicContact CG1-CG 4.35Å; V239-L243 WeakPolarHBondContact O-CG 3.4Å; V239-L243 PolarHBondContact O-N 2.9Å; L240-L243 PolarHBondContact O-N 3.47Å; L243-S245 PolarHBondContact O-N 3.25Å; L243-S246 WeakPolarHBondContact O-CB 3.19Å; L243-S246 PolarHBondContact O-N 2.91Å; L243-C247 PolarHBondContact O-N 3.39Å; L243-C247 PolarHBondContact O-SG 3.45Å; L243-C247 VanDerWaalsContact O-SG 3.34Å |
| 244 | I | 86.8 | Confident | 84.3 | Confident | 98 Ų | 98 | 73 Ų | 73 | 50% | 0.503 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 177.9 | -67.6 | 165.4 | 0 | 0 | 0 | 110.4 | L240 S246 C247 I248 | L240-I244 WeakPolarHBondContact O-CB 3.26Å; L240-I244 WeakPolarHBondContact O-CD1 3.43Å; L240-I244 WeakPolarHBondContact O-CG1 3.48Å; L240-I244 PolarHBondContact O-N 3.49Å; I244-S246 VanDerWaalsContact C-N 3.28Å; I244-S246 PolarHBondContact O-N 3.22Å; I244-C247 PolarHBondContact O-N 2.95Å; I244-I248 HydrophobicContact CG2-CD1 3.69Å; I244-I248 HydrophobicContact CG2-CG1 4.31Å; I244-I248 WeakPolarHBondContact O-CG1 3.16Å; I244-I248 PolarHBondContact O-N 3.02Å |
| 245 | S | 83.5 | Confident | 83.1 | Confident | 36 Ų | 36 | 76.1 Ų | 76.1 | 25% | 0.252 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.7 | -41 | 177.6 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | T241 V242 L243 Y249 | T241-S245 WeakPolarHBondContact O-CB 3.29Å; T241-S245 PolarHBondContact O-N 3.2Å; V242-S245 PolarHBondContact O-N 2.98Å; L243-S245 PolarHBondContact O-N 3.25Å; S245-Y249 WeakPolarHBondContact O-CB 3.37Å; S245-Y249 PolarHBondContact O-N 3.02Å |
| 246 | S | 80 | Confident | 81.9 | Confident | 31 Ų | 31 | 76.8 Ų | 76.8 | 22% | 0.217 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.4 | -45.8 | 174.9 | -177.6 | 0 | 0 | 0 | 0 | 112.4 | V137 V242 L243 I244 I248 Y249 N250 | V137-S246 VanDerWaalsContact CG2-CB 3.5Å; V137-S246 WeakPolarHBondContact CG2-OG 3.15Å; V242-S246 PolarHBondContact O-N 3.36Å; L243-S246 WeakPolarHBondContact O-CB 3.19Å; L243-S246 PolarHBondContact O-N 2.91Å; I244-S246 VanDerWaalsContact C-N 3.28Å; I244-S246 PolarHBondContact O-N 3.22Å; S246-I248 VanDerWaalsContact C-N 3.34Å; S246-I248 PolarHBondContact O-N 2.93Å; S246-Y249 PolarHBondContact O-N 3.25Å; S246-N250 WeakPolarHBondContact O-CB 3.4Å; S246-N250 PolarHBondContact O-N 2.78Å |
| 247 | C | 80.8 | Confident | 80.6 | Confident | 81 Ų | 81 | 77 Ų | 77 | 55% | 0.547 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 178.4 | -72.7 | 0 | 0 | 0 | 0 | 112.1 | L243 I244 N250 R251 | L243-C247 PolarHBondContact O-N 3.39Å; L243-C247 PolarHBondContact O-SG 3.45Å; L243-C247 VanDerWaalsContact O-SG 3.34Å; I244-C247 PolarHBondContact O-N 2.95Å; C247-N250 PolarHBondContact O-N 3.49Å; C247-R251 WeakPolarHBondContact O-CB 3.08Å; C247-R251 WeakPolarHBondContact O-CG 3.43Å; C247-R251 PolarHBondContact O-N 3.33Å |
| 248 | I | 82.9 | Confident | 78.8 | Confident | 83 Ų | 83 | 80.9 Ų | 80.9 | 43% | 0.426 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 177.5 | -66.7 | 168.8 | 0 | 0 | 0 | 110.5 | I244 S246 N250 R251 Q252 | I244-I248 HydrophobicContact CG2-CD1 3.69Å; I244-I248 HydrophobicContact CG2-CG1 4.31Å; I244-I248 WeakPolarHBondContact O-CG1 3.16Å; I244-I248 PolarHBondContact O-N 3.02Å; S246-I248 VanDerWaalsContact C-N 3.34Å; S246-I248 PolarHBondContact O-N 2.93Å; I248-N250 VanDerWaalsContact C-N 3.34Å; I248-N250 PolarHBondContact O-N 3.08Å; I248-R251 PolarHBondContact O-N 3.08Å; I248-Q252 WeakPolarHBondContact O-CG 3.43Å; I248-Q252 PolarHBondContact O-N 3.3Å |
| 249 | Y | 76.6 | Confident | 77 | Confident | 149 Ų | 149 | 83.5 Ų | 83.5 | 58% | 0.584 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -60.1 | -44.8 | 178.5 | 178.8 | -101.5 | 0 | 0 | 0 | 111.8 | S245 S246 R251 Q252 K253 | S245-Y249 WeakPolarHBondContact O-CB 3.37Å; S245-Y249 PolarHBondContact O-N 3.02Å; S246-Y249 PolarHBondContact O-N 3.25Å; Y249-R251 PolarHBondContact O-N 3.14Å; Y249-Q252 PolarHBondContact O-N 3.23Å; Y249-K253 WeakPolarHBondContact O-CB 3.29Å; Y249-K253 PolarHBondContact O-N 3.43Å |
| 250 | N | 74.5 | Confident | 75.3 | Confident | 80 Ų | 80 | 88.3 Ų | 88.3 | 43% | 0.428 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.3 | -37.9 | -180 | -151.6 | 28.9 | 0 | 0 | 0 | 111.9 | S246 C247 I248 K253 N254 | S246-N250 WeakPolarHBondContact O-CB 3.4Å; S246-N250 PolarHBondContact O-N 2.78Å; C247-N250 PolarHBondContact O-N 3.49Å; I248-N250 VanDerWaalsContact C-N 3.34Å; I248-N250 PolarHBondContact O-N 3.08Å; N250-K253 PolarHBondContact O-N 2.63Å; N250-N254 PolarHBondContact O-N 3.2Å |
| 251 | R | 78.6 | Confident | 73.2 | Confident | 197 Ų | 197 | 92.1 Ų | 92.1 | 74% | 0.743 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62 | -47.9 | 172.6 | -83.3 | -178.3 | 143.4 | -166.4 | -5.8 | 112.4 | C247 I248 Y249 K253 N254 S255 | C247-R251 WeakPolarHBondContact O-CB 3.08Å; C247-R251 WeakPolarHBondContact O-CG 3.43Å; C247-R251 PolarHBondContact O-N 3.33Å; I248-R251 PolarHBondContact O-N 3.08Å; Y249-R251 PolarHBondContact O-N 3.14Å; R251-K253 VanDerWaalsContact C-N 3.32Å; R251-K253 PolarHBondContact O-N 2.88Å; R251-N254 PolarHBondContact O-N 3.07Å; R251-S255 PolarHBondContact O-N 3.42Å; R251-S255 PolarHBondContact O-OG 2.94Å |
| 252 | Q | 77.9 | Confident | 70.7 | Confident | 113 Ų | 113 | 99.5 Ų | 99.5 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 178.9 | -75.3 | -177.2 | -9 | 0 | 0 | 112.1 | I248 Y249 S255 A256 | I248-Q252 WeakPolarHBondContact O-CG 3.43Å; I248-Q252 PolarHBondContact O-N 3.3Å; Y249-Q252 PolarHBondContact O-N 3.23Å; Q252-S255 PolarHBondContact O-N 3.3Å; Q252-A256 PolarHBondContact O-N 2.61Å |
| 253 | K | 73.2 | Confident | 68.4 | Low | 117 Ų | 117 | 105.3 Ų | 105.3 | 51% | 0.509 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.1 | -49 | 174.8 | -174 | -179.5 | 177.1 | -174.7 | 0 | 111.3 | Y249 N250 R251 S255 A256 T257 | Y249-K253 WeakPolarHBondContact O-CB 3.29Å; Y249-K253 PolarHBondContact O-N 3.43Å; N250-K253 PolarHBondContact O-N 2.63Å; R251-K253 VanDerWaalsContact C-N 3.32Å; R251-K253 PolarHBondContact O-N 2.88Å; K253-S255 VanDerWaalsContact C-N 3.34Å; K253-S255 PolarHBondContact O-N 3.3Å; K253-A256 PolarHBondContact O-N 3.39Å; K253-T257 PolarHBondContact O-N 3.26Å; K253-T257 PolarHBondContact O-OG1 3.49Å; K253-T257 VanDerWaalsContact O-OG1 3.06Å |
| 254 | N | 70.6 | Confident | 66.2 | Low | 89 Ų | 89 | 105.7 Ų | 105.7 | 48% | 0.476 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.2 | -37.2 | 179.2 | -74 | -1 | 0 | 0 | 0 | 112.5 | N250 R251 T257 N258 | N250-N254 PolarHBondContact O-N 3.2Å; R251-N254 PolarHBondContact O-N 3.07Å; N254-T257 PolarHBondContact O-N 3.02Å; N254-N258 WeakPolarHBondContact O-CB 3.36Å; N254-N258 PolarHBondContact O-N 2.93Å |
| 255 | S | 69.6 | Low | 63.6 | Low | 87 Ų | 87 | 110.3 Ų | 110.3 | 61% | 0.608 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.6 | -36.9 | 174.1 | -67.3 | 0 | 0 | 0 | 0 | 112.9 | R251 Q252 K253 G259 | R251-S255 PolarHBondContact O-N 3.42Å; R251-S255 PolarHBondContact O-OG 2.94Å; Q252-S255 PolarHBondContact O-N 3.3Å; K253-S255 VanDerWaalsContact C-N 3.34Å; K253-S255 PolarHBondContact O-N 3.3Å; S255-G259 PolarHBondContact O-N 2.9Å |
| 256 | A | 66.6 | Low | 61.1 | Low | 60 Ų | 60 | 114.5 Ų | 114.5 | 50% | 0.496 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -70.5 | -37.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q252 K253 G259 | Q252-A256 PolarHBondContact O-N 2.61Å; K253-A256 PolarHBondContact O-N 3.39Å; A256-G259 PolarHBondContact O-N 3.35Å |
| 257 | T | 63.4 | Low | 58.8 | Low | 80 Ų | 80 | 118.8 Ų | 118.8 | 49% | 0.491 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -69 | -38.9 | 176.7 | -51.1 | 0 | 0 | 0 | 0 | 112 | K253 N254 G259 L260 | K253-T257 PolarHBondContact O-N 3.26Å; K253-T257 PolarHBondContact O-OG1 3.49Å; K253-T257 VanDerWaalsContact O-OG1 3.06Å; N254-T257 PolarHBondContact O-N 3.02Å; T257-G259 PolarHBondContact O-N 3.13Å; T257-L260 PolarHBondContact O-N 3.25Å |
| 258 | N | 56.9 | Low | 56.3 | Low | 125 Ų | 125 | 124.2 Ų | 124.2 | 67% | 0.668 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -69.7 | -19.9 | 174.7 | -76.4 | 0.8 | 0 | 0 | 0 | 113.4 | N254 | N254-N258 WeakPolarHBondContact O-CB 3.36Å; N254-N258 PolarHBondContact O-N 2.93Å |
| 259 | G | 53.9 | Low | 53.7 | Low | 59 Ų | 59 | 128.3 Ų | 128.3 | 61% | 0.608 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -78.9 | -17.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115 | S255 A256 T257 | S255-G259 PolarHBondContact O-N 2.9Å; A256-G259 PolarHBondContact O-N 3.35Å; T257-G259 PolarHBondContact O-N 3.13Å |
| 260 | L | 54.7 | Low | 51.5 | Low | 146 Ų | 146 | 128.9 Ų | 128.9 | 76% | 0.764 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 0.6 | -178.1 | -80 | 158.6 | 0 | 0 | 0 | 113.9 | T257 | T257-L260 PolarHBondContact O-N 3.25Š|
| 261 | Q | 44.3 | Very low | 49.1 | Very low | 169 Ų | 169 | 130.7 Ų | 130.7 | 79% | 0.79 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -93.6 | 13 | -179 | -156.2 | 156.6 | 0.7 | 0 | 0 | 113.8 | ||
| 262 | Y | 38.4 | Very low | 46.7 | Very low | 205 Ų | 205 | 126.2 Ų | 126.2 | 80% | 0.804 | 70% | 0.701 | S | S | * | * | trans | -116.2 | 78.6 | 172 | -165.6 | -93 | 0 | 0 | 0 | 110 | P264 | Y262-P264 HydrophobicContact CE1-CG 4.5Š| ||
| 263 | V | 37.3 | Very low | 44.2 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 76% | 0.764 | 71% | 0.712 | S | S | * | * | trans | -120.2 | 116.3 | 160.5 | -177.7 | 0 | 0 | 0 | 0 | 106 | H265 | V263-H265 PolarHBondContact O-N 3.12Š| ||
| 264 | P | 39.9 | Very low | 41.9 | Very low | 89 Ų | 89 | 127 Ų | 127 | 58% | 0.578 | 72% | 0.723 | S | S | * | * | trans | -66.5 | 135.5 | 178.6 | -12.6 | 26.6 | 0 | 0 | 0 | 110.1 | Y262 V266 | Y262-P264 HydrophobicContact CE1-CG 4.5Å; P264-V266 PolarHBondContact O-N 2.89Å | ||
| 265 | H | 31.7 | Very low | 39.7 | Very low | 195 Ų | 195 | 127.2 Ų | 127.2 | 90% | 0.903 | 73% | 0.731 | S | S | * | * | trans | -47 | 122.3 | 167.1 | -102.7 | -78.5 | 0 | 0 | 0 | 111.1 | V263 | V263-H265 PolarHBondContact O-N 3.12Š| ||
| 266 | V | 31.1 | Very low | 37.5 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | trans | -112.4 | 129 | 159.1 | -174.8 | 0 | 0 | 0 | 0 | 106.6 | P264 E268 | P264-V266 PolarHBondContact O-N 2.89Å; V266-E268 PolarHBondContact O-N 3.01Å | ||
| 267 | P | 31.6 | Very low | 35.6 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 121.4 | 176.8 | 7 | 8.2 | 0 | 0 | 0 | 109.4 | L269 | P267-L269 PolarHBondContact O-N 3.46Š|
| 268 | E | 28.6 | Very low | 33.8 | Very low | 196 Ų | 196 | 136.7 Ų | 136.7 | 92% | 0.916 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 120.5 | 172.5 | -77 | 178.3 | 151.7 | 0 | 0 | 110.4 | V266 | V266-E268 PolarHBondContact O-N 3.01Š|
| 269 | L | 28 | Very low | 32.4 | Very low | 169 Ų | 169 | 138.2 Ų | 138.2 | 89% | 0.885 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 129.5 | 170.1 | -166.3 | 76.2 | 0 | 0 | 0 | 107.9 | P267 | P267-L269 PolarHBondContact O-N 3.46Š|
| 270 | N | 30 | Very low | 31.1 | Very low | 160 Ų | 160 | 142.1 Ų | 142.1 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 135.3 | 177.9 | -69.6 | -23.1 | 0 | 0 | 0 | 113.3 | ||
| 271 | S | 25.4 | Very low | 29.8 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -159.5 | 122.1 | 140.8 | 55.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 272 | S | 27.3 | Very low | 28.8 | Very low | 103 Ų | 103 | 143.8 Ų | 143.8 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | -67.1 | 150.5 | 165.9 | 47 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 273 | D | 24.9 | Very low | 28.1 | Very low | 143 Ų | 143 | 145.4 Ų | 145.4 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | trans | 158.7 | 104.9 | 139.4 | -80.3 | -6.3 | 0 | 0 | 0 | 107.9 | ||||
| 274 | S | 24.8 | Very low | 27.6 | Very low | 105 Ų | 105 | 147.3 Ų | 147.3 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | 47.4 | 124.1 | 103.3 | 66.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 275 | S | 25 | Very low | 27.1 | Very low | 92 Ų | 92 | 155.6 Ų | 155.6 | 64% | 0.643 | 81% | 0.813 | S | S | * | * | cis | -179.4 | 147.1 | 41.1 | 41.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 276 | D | 24.7 | Very low | 26.9 | Very low | 142 Ų | 142 | 149.5 Ų | 149.5 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | 49.6 | 130.3 | 130.8 | -50.8 | -15.8 | 0 | 0 | 0 | 118.8 | ||||
| 277 | D | 25.8 | Very low | 26.7 | Very low | 139 Ų | 139 | 147 Ų | 147 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | cis | -160.3 | 143.4 | 26.4 | -85.2 | -45.8 | 0 | 0 | 0 | 112.2 | ||||
| 278 | D | 25.8 | Very low | 26.6 | Very low | 145 Ų | 145 | 146.9 Ų | 146.9 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | 32.7 | 121.2 | 141.7 | -63.1 | -32 | 0 | 0 | 0 | 124.4 | ||||
| 279 | D | 27.8 | Very low | 26.7 | Very low | 158 Ų | 158 | 145.2 Ų | 145.2 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | -155.7 | 109.7 | 126.2 | -107.8 | -25.3 | 0 | 0 | 0 | 111.7 | |||||
| 280 | D | 26.1 | Very low | 26.6 | Very low | 141 Ų | 141 | 146 Ų | 146 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | 43.1 | 90.3 | 155.4 | -81.5 | -27.7 | 0 | 0 | 0 | 122.3 | ||||
| 281 | I | 26.9 | Very low | 26.4 | Very low | 175 Ų | 175 | 147.1 Ų | 147.1 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -105.6 | 97.6 | 146.8 | -63.6 | -179.3 | 0 | 0 | 0 | 108.7 | ||||
| 282 | Q | 23.8 | Very low | 26.4 | Very low | 174 Ų | 174 | 149.9 Ų | 149.9 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -144 | 90.7 | 169 | -161.8 | 151.4 | -43.2 | 0 | 0 | 113.4 | ||||
| 283 | R | 24.6 | Very low | 26.4 | Very low | 240 Ų | 240 | 155.9 Ų | 155.9 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | trans | 172.6 | 124 | 151.1 | -101.9 | 170.2 | 173.5 | 157.9 | 0.7 | 108.3 | ||||
| 284 | M | 25.4 | Very low | 26.5 | Very low | 166 Ų | 166 | 158.4 Ų | 158.4 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | cis | -143.2 | 118.7 | 13.6 | -83.9 | -142.8 | -80.3 | 0 | 0 | 111 | G286 | M284-G286 PolarHBondContact O-N 3.36Š| ||
| 285 | R | 29.5 | Very low | 26.9 | Very low | 263 Ų | 263 | 163.1 Ų | 163.1 | 99% | 0.992 | 82% | 0.818 | S | S | * | * | trans | -70.5 | 105.1 | 145.8 | -176.8 | 175.1 | 176.6 | -173.9 | -0.4 | 106.9 | ||||
| 286 | G | 28.1 | Very low | 27.1 | Very low | 66 Ų | 66 | 166.2 Ų | 166.2 | 68% | 0.68 | 82% | 0.822 | S | S | * | * | trans | 173.7 | 54.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | M284 | M284-G286 PolarHBondContact O-N 3.36Š| ||
| 287 | G | 27.7 | Very low | 27.4 | Very low | 72 Ų | 72 | 169.4 Ų | 169.4 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -176.7 | 20.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 288 | T | 28.4 | Very low | 27.6 | Very low | 117 Ų | 117 | 172.3 Ų | 172.3 | 72% | 0.718 | 83% | 0.825 | S | S | * | * | trans | -146.7 | 72 | 179.1 | -26.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 289 | I | 30 | Very low | 27.9 | Very low | 162 Ų | 162 | 169.8 Ų | 169.8 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -130.3 | 21.7 | 170.7 | -54.2 | 176.4 | 0 | 0 | 0 | 111.1 | ||
| 290 | Q | 26.2 | Very low | 28.6 | Very low | 184 Ų | 184 | 171 Ų | 171 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -139.4 | 25.1 | -179.3 | -152.2 | 73 | 47.6 | 0 | 0 | 115 | ||
| 291 | Q | 26.9 | Very low | 29.2 | Very low | 184 Ų | 184 | 171 Ų | 171 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -130.8 | 4.5 | 170.2 | -89.7 | -179.9 | -33.8 | 0 | 0 | 114.3 | ||
| 292 | E | 24.4 | Very low | 29.7 | Very low | 176 Ų | 176 | 168.9 Ų | 168.9 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -110.6 | 21.2 | -174 | -144.5 | 169.4 | -160.4 | 0 | 0 | 113.9 | ||
| 293 | Y | 27.9 | Very low | 30.6 | Very low | 230 Ų | 230 | 168.5 Ų | 168.5 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -133.4 | 29.6 | 179.3 | -108.5 | -84.2 | 0 | 0 | 0 | 113.8 | ||
| 294 | E | 27.7 | Very low | 31.6 | Very low | 196 Ų | 196 | 162.4 Ų | 162.4 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | trans | -112.1 | 23.3 | 169.2 | -150.5 | 161.1 | -148.6 | 0 | 0 | 112 | ||||
| 295 | F | 32.1 | Very low | 33.2 | Very low | 203 Ų | 203 | 158.6 Ų | 158.6 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -111.5 | 70.5 | 170.5 | -145.6 | -86.2 | 0 | 0 | 0 | 109.8 | ||||
| 296 | E | 30.3 | Very low | 34.9 | Very low | 158 Ų | 158 | 148.7 Ų | 148.7 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -157.4 | 116.5 | 157.4 | -149.6 | 140.2 | -162.1 | 0 | 0 | 113.4 | ||
| 297 | Y | 30.8 | Very low | 36.9 | Very low | 209 Ų | 209 | 148.1 Ų | 148.1 | 82% | 0.82 | 74% | 0.74 | S | S | * | * | trans | 77.2 | 80.5 | 167.7 | -97.8 | -96.2 | 0 | 0 | 0 | 119.3 | ||||
| 298 | R | 29 | Very low | 38.7 | Very low | 200 Ų | 200 | 154.6 Ų | 154.6 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | -84.4 | 118.4 | 141.2 | -122.5 | -171.7 | -147 | -139.5 | 8 | 107 | L300 E356 | R298-L300 PolarHBondContact O-N 2.83Å; R298-E356 IonicContact NH2-OE2 3.91Å | ||
| 299 | P | 32.5 | Very low | 40.7 | Very low | 91 Ų | 91 | 153.2 Ų | 153.2 | 59% | 0.591 | 73% | 0.727 | S | S | * | * | trans | -62.5 | 134.3 | 169.4 | -15.8 | 28.7 | 0 | 0 | 0 | 109.6 | L301 | P299-L301 PolarHBondContact O-N 3.31Š| ||
| 300 | L | 42.6 | Very low | 42.7 | Very low | 185 Ų | 185 | 146.2 Ų | 146.2 | 97% | 0.969 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -70.5 | 13.2 | 175.9 | -77.3 | 161.9 | 0 | 0 | 0 | 114 | R298 | R298-L300 PolarHBondContact O-N 2.83Š|
| 301 | L | 37.8 | Very low | 44.8 | Very low | 139 Ų | 139 | 139.9 Ų | 139.9 | 73% | 0.728 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -104.8 | 130.9 | 175.8 | -72 | 166.4 | 0 | 0 | 0 | 108.3 | P299 Y303 | P299-L301 PolarHBondContact O-N 3.31Å; L301-Y303 PolarHBondContact O-N 2.89Å |
| 302 | P | 37.4 | Very low | 47 | Very low | 131 Ų | 131 | 137 Ų | 137 | 85% | 0.851 | 65% | 0.653 | S | S | * | * | trans | -67.6 | 88.9 | 169.8 | 28.3 | -30.2 | 0 | 0 | 0 | 107.9 | S304 | P302-S304 PolarHBondContact O-N 3.44Š| ||
| 303 | Y | 43.2 | Very low | 49 | Very low | 166 Ų | 166 | 131.2 Ų | 131.2 | 65% | 0.651 | 63% | 0.633 | S | S | * | * | trans | -78.8 | 101.6 | 172 | -171.6 | -102.7 | 0 | 0 | 0 | 107.3 | L301 E305 | L301-Y303 PolarHBondContact O-N 2.89Å; Y303-E305 HydrophobicContact CD1-CG 3.62Å; Y303-E305 HydrophobicContact CE1-CG 3.76Å; Y303-E305 PolarHBondContact O-N 3.42Å | ||
| 304 | S | 45.7 | Very low | 50.8 | Low | 112 Ų | 112 | 121.3 Ų | 121.3 | 78% | 0.783 | 60% | 0.597 | S | S | * | * | trans | -72.5 | 94.5 | 172.8 | 68.8 | 0 | 0 | 0 | 0 | 108.5 | P302 S306 | P302-S304 PolarHBondContact O-N 3.44Å; S304-S306 PolarHBondContact O-N 2.94Å | ||
| 305 | E | 58.9 | Low | 53 | Low | 87 Ų | 87 | 113.6 Ų | 113.6 | 41% | 0.407 | 56% | 0.562 | S | S | . | * | trans | -59.9 | 136.5 | 170.5 | -68.5 | -166.9 | 162.3 | 0 | 0 | 109.8 | Y303 I310 | Y303-E305 HydrophobicContact CD1-CG 3.62Å; Y303-E305 HydrophobicContact CE1-CG 3.76Å; Y303-E305 PolarHBondContact O-N 3.42Å; E305-I310 HydrophobicContact CB-CD1 4.12Å; E305-I310 HydrophobicContact CB-CG1 3.71Å | ||
| 306 | S | 66.6 | Low | 55.1 | Low | 54 Ų | 54 | 107.8 Ų | 107.8 | 38% | 0.378 | 54% | 0.54 | S | S | . | . | trans | -67.1 | 151 | 175.4 | 70.7 | 0 | 0 | 0 | 0 | 110.5 | S304 R308 E309 I310 | S304-S306 PolarHBondContact O-N 2.94Å; S306-R308 PolarHBondContact O-N 2.63Å; S306-E309 WeakPolarHBondContact CB-OE2 3.37Å; S306-E309 PolarHBondContact N-OE2 3.12Å; S306-E309 PolarHBondContact O-N 2.7Å; S306-E309 VanDerWaalsContact OG-CG 3.25Å; S306-E309 WeakPolarHBondContact OG-CG 3.39Å; S306-E309 PolarHBondContact OG-N 3.21Å; S306-E309 PolarHBondContact OG-OE2 3.07Å; S306-I310 PolarHBondContact O-N 3.03Å; S306-I310 VanDerWaalsContact O-N 3.07Å | ||
| 307 | T | 68.9 | Low | 57 | Low | 54 Ų | 54 | 101.3 Ų | 101.3 | 33% | 0.331 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.5 | -27.6 | -178.7 | -46.7 | 0 | 0 | 0 | 0 | 113.2 | L311 P363 | T307-L311 PolarHBondContact O-N 3.07Å; T307-P363 HydrophobicContact CG2-CB 3.78Å; T307-P363 HydrophobicContact CG2-CG 3.81Å |
| 308 | R | 65.1 | Low | 59 | Low | 209 Ų | 209 | 92.6 Ų | 92.6 | 79% | 0.789 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -75.3 | -39.6 | 176.4 | -67.2 | -177.1 | 179.7 | 174.8 | 0.1 | 112.5 | S306 I310 L311 L312 | S306-R308 PolarHBondContact O-N 2.63Å; R308-I310 VanDerWaalsContact C-N 3.34Å; R308-L311 PolarHBondContact O-N 3Å; R308-L312 WeakPolarHBondContact O-CB 3.38Å; R308-L312 WeakPolarHBondContact O-CG 3.46Å; R308-L312 PolarHBondContact O-N 3.33Å |
| 309 | E | 70.8 | Confident | 61 | Low | 87 Ų | 87 | 87.2 Ų | 87.2 | 41% | 0.407 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | 175.9 | -72.4 | 162 | 156.1 | 0 | 0 | 111 | S306 L311 L312 S313 | S306-E309 WeakPolarHBondContact CB-OE2 3.37Å; S306-E309 PolarHBondContact N-OE2 3.12Å; S306-E309 PolarHBondContact O-N 2.7Å; S306-E309 VanDerWaalsContact OG-CG 3.25Å; S306-E309 WeakPolarHBondContact OG-CG 3.39Å; S306-E309 PolarHBondContact OG-N 3.21Å; S306-E309 PolarHBondContact OG-OE2 3.07Å; E309-L311 VanDerWaalsContact C-N 3.33Å; E309-L311 PolarHBondContact O-N 2.88Å; E309-L312 PolarHBondContact O-N 2.9Å; E309-S313 VanDerWaalsContact O-CB 3.25Å; E309-S313 WeakPolarHBondContact O-CB 3.44Å; E309-S313 PolarHBondContact O-N 3.48Å; E309-S313 PolarHBondContact O-OG 2.81Å |
| 310 | I | 71.3 | Confident | 62.9 | Low | 16 Ų | 16 | 88.3 Ų | 88.3 | 8% | 0.082 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 174 | -62.7 | 170.7 | 0 | 0 | 0 | 111.2 | E305 S306 R308 S313 S314 P363 | E305-I310 HydrophobicContact CB-CD1 4.12Å; E305-I310 HydrophobicContact CB-CG1 3.71Å; S306-I310 PolarHBondContact O-N 3.03Å; S306-I310 VanDerWaalsContact O-N 3.07Å; R308-I310 VanDerWaalsContact C-N 3.34Å; I310-S313 WeakPolarHBondContact CA-OG 3.07Å; I310-S313 PolarHBondContact O-OG 2.97Å; I310-S314 VanDerWaalsContact O-CB 3.27Å; I310-S314 WeakPolarHBondContact O-CB 3.45Å; I310-S314 PolarHBondContact O-N 3.42Å; I310-S314 PolarHBondContact O-OG 2.95Å; I310-P363 HydrophobicContact CG2-CG 4.37Å |
| 311 | L | 71.9 | Confident | 64.2 | Low | 51 Ų | 51 | 89.4 Ų | 89.4 | 27% | 0.267 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.6 | -47.4 | 177.9 | -176.4 | 70.2 | 0 | 0 | 0 | 111.7 | T307 R308 E309 S313 S314 L315 P363 L364 | T307-L311 PolarHBondContact O-N 3.07Å; R308-L311 PolarHBondContact O-N 3Å; E309-L311 VanDerWaalsContact C-N 3.33Å; E309-L311 PolarHBondContact O-N 2.88Å; L311-S313 VanDerWaalsContact C-N 3.35Å; L311-S313 PolarHBondContact O-N 3.33Å; L311-S314 PolarHBondContact O-N 2.89Å; L311-L315 HydrophobicContact CD1-CD1 4.12Å; L311-L315 HydrophobicContact CD1-CG 4.48Å; L311-L315 HydrophobicContact CG-CD1 3.95Å; L311-L315 WeakPolarHBondContact O-CB 3.41Å; L311-L315 WeakPolarHBondContact O-CG 3.3Å; L311-L315 PolarHBondContact O-N 3.45Å; L311-P363 HydrophobicContact CB-CG 4.24Å; L311-P363 HydrophobicContact CD1-CB 4.33Å; L311-P363 HydrophobicContact CD1-CG 4.48Å; L311-L364 HydrophobicContact CD1-CB 4.26Å; L311-L364 HydrophobicContact CD1-CD1 4.21Å |
| 312 | L | 72.9 | Confident | 65.9 | Low | 122 Ų | 122 | 88.5 Ų | 88.5 | 64% | 0.639 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66.6 | -35.7 | 180 | -72.5 | 171.2 | 0 | 0 | 0 | 112.3 | R308 E309 N316 | R308-L312 WeakPolarHBondContact O-CB 3.38Å; R308-L312 WeakPolarHBondContact O-CG 3.46Å; R308-L312 PolarHBondContact O-N 3.33Å; E309-L312 PolarHBondContact O-N 2.9Å; L312-N316 PolarHBondContact O-N 3.18Å |
| 313 | S | 66.7 | Low | 67.8 | Low | 56 Ų | 56 | 85.8 Ų | 85.8 | 39% | 0.392 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -69.3 | -36 | 174 | 68.5 | 0 | 0 | 0 | 0 | 111.8 | E309 I310 L311 N316 | E309-S313 VanDerWaalsContact O-CB 3.25Å; E309-S313 WeakPolarHBondContact O-CB 3.44Å; E309-S313 PolarHBondContact O-N 3.48Å; E309-S313 PolarHBondContact O-OG 2.81Å; I310-S313 WeakPolarHBondContact CA-OG 3.07Å; I310-S313 PolarHBondContact O-OG 2.97Å; L311-S313 VanDerWaalsContact C-N 3.35Å; L311-S313 PolarHBondContact O-N 3.33Å; S313-N316 PolarHBondContact O-N 3.27Å |
| 314 | S | 63.8 | Low | 69.6 | Low | 22 Ų | 22 | 87.9 Ų | 87.9 | 15% | 0.154 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -73.8 | -30.8 | 177.9 | -57.1 | 0 | 0 | 0 | 0 | 113.5 | I310 L311 N316 R361 | I310-S314 VanDerWaalsContact O-CB 3.27Å; I310-S314 WeakPolarHBondContact O-CB 3.45Å; I310-S314 PolarHBondContact O-N 3.42Å; I310-S314 PolarHBondContact O-OG 2.95Å; L311-S314 PolarHBondContact O-N 2.89Å; S314-N316 VanDerWaalsContact C-N 3.35Å; S314-R361 WeakPolarHBondContact OG-CD 3.41Å; S314-R361 VanDerWaalsContact OG-CG 3.31Å; S314-R361 WeakPolarHBondContact OG-CG 3.34Å; S314-R361 PolarHBondContact OG-NE 3.39Å |
| 315 | L | 74.4 | Confident | 71.4 | Confident | 33 Ų | 33 | 93.4 Ų | 93.4 | 17% | 0.173 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -4.9 | 176.7 | -72 | 171.9 | 0 | 0 | 0 | 113.5 | L311 P317 L345 L346 L364 | L311-L315 HydrophobicContact CD1-CD1 4.12Å; L311-L315 HydrophobicContact CD1-CG 4.48Å; L311-L315 HydrophobicContact CG-CD1 3.95Å; L311-L315 WeakPolarHBondContact O-CB 3.41Å; L311-L315 WeakPolarHBondContact O-CG 3.3Å; L311-L315 PolarHBondContact O-N 3.45Å; L315-P317 WeakPolarHBondContact O-CD 3.46Å; L315-L345 HydrophobicContact CD2-CB 4.48Å; L315-L346 HydrophobicContact CD1-CD1 4.38Å; L315-L346 HydrophobicContact CD2-CB 4.48Å; L315-L346 HydrophobicContact CD2-CD1 3.92Å; L315-L364 HydrophobicContact CD2-CD1 4.08Å |
| 316 | N | 77 | Confident | 72.7 | Confident | 81 Ų | 81 | 94.1 Ų | 94.1 | 43% | 0.433 | 43% | 0.433 | S | S | . | . | trans | -93.5 | 104.3 | 177.1 | -178.2 | 10.3 | 0 | 0 | 0 | 111.1 | L312 S313 S314 V318 | L312-N316 PolarHBondContact O-N 3.18Å; S313-N316 PolarHBondContact O-N 3.27Å; S314-N316 VanDerWaalsContact C-N 3.35Å; N316-V318 PolarHBondContact O-N 3.26Å; N316-V318 PolarHBondContact OD1-N 2.88Å | ||
| 317 | P | 70.6 | Confident | 73.8 | Confident | 23 Ų | 23 | 95.4 Ų | 95.4 | 15% | 0.149 | 44% | 0.441 | C | S | . | . | trans | -81.4 | 0.1 | -179.8 | 34.9 | -38.4 | 0 | 0 | 0 | 113.6 | L315 K334 T338 E341 V342 L345 | L315-P317 WeakPolarHBondContact O-CD 3.46Å; P317-K334 VanDerWaalsContact O-CE 3.27Å; P317-K334 WeakPolarHBondContact O-CE 3.39Å; P317-K334 PolarHBondContact O-NZ 2.84Å; P317-T338 HydrophobicContact CG-CG2 3.76Å; P317-E341 HydrophobicContact CB-CB 4.42Å; P317-E341 VanDerWaalsContact CB-CD 3.44Å; P317-E341 HydrophobicContact CB-CG 3.85Å; P317-E341 HydrophobicContact CG-CB 4.45Å; P317-E341 HydrophobicContact CG-CG 4.4Å; P317-V342 HydrophobicContact CG-CG2 3.97Å; P317-L345 HydrophobicContact CB-CD1 4.22Å | ||
| 318 | V | 71.3 | Confident | 74.6 | Confident | 25 Ų | 25 | 102.2 Ų | 102.2 | 15% | 0.152 | 46% | 0.46 | C | S | . | . | trans | -103.7 | 103.6 | -175.2 | -175.1 | 0 | 0 | 0 | 0 | 110.8 | N316 N320 W323 K334 T338 | N316-V318 PolarHBondContact O-N 3.26Å; N316-V318 PolarHBondContact OD1-N 2.88Å; V318-N320 PolarHBondContact O-N 3.46Å; V318-W323 HydrophobicContact CG1-CB 4.12Å; V318-W323 HydrophobicContact CG1-CD2 4.18Å; V318-W323 HydrophobicContact CG1-CE3 3.76Å; V318-W323 HydrophobicContact CG1-CG 4.35Å; V318-K334 HydrophobicContact CG2-CG 4.44Å; V318-T338 HydrophobicContact CG2-CG2 4.29Å | ||
| 319 | D | 72 | Confident | 75.5 | Confident | 88 Ų | 88 | 96.9 Ų | 96.9 | 47% | 0.471 | 45% | 0.451 | S | S | . | . | trans | -68.4 | 109.5 | 167.2 | -78.6 | -34 | 0 | 0 | 0 | 110.5 | R321 K322 W323 | D319-R321 PolarHBondContact O-N 3.49Å; D319-R321 VanDerWaalsContact O-N 3.08Å; D319-K322 HydrophobicContact CB-CB 3.95Å; D319-K322 HydrophobicContact CB-CD 4.02Å; D319-K322 HydrophobicContact CB-CG 4Å; D319-K322 PolarHBondContact O-N 2.71Å; D319-K322 WeakPolarHBondContact OD2-CD 3.44Å; D319-K322 WeakPolarHBondContact OD2-CE 3.38Å; D319-K322 IonicContact OD2-NZ 2.76Å; D319-K322 PolarHBondContact OD2-NZ 3.44Å; D319-W323 WeakPolarHBondContact O-CB 3.14Å; D319-W323 PolarHBondContact O-N 2.9Å | ||
| 320 | N | 72.4 | Confident | 76.2 | Confident | 113 Ų | 113 | 96.7 Ų | 96.7 | 60% | 0.604 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -52.9 | -33.1 | 178.3 | -78.9 | -25.4 | 0 | 0 | 0 | 113.4 | V318 R324 | V318-N320 PolarHBondContact O-N 3.46Å; N320-R324 WeakPolarHBondContact O-CG 3.38Å; N320-R324 PolarHBondContact O-N 2.81Å |
| 321 | R | 69.7 | Low | 76.8 | Confident | 209 Ų | 209 | 98.5 Ų | 98.5 | 79% | 0.789 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -70.8 | -44.2 | 177.5 | -65 | -177.4 | -176.3 | -178.9 | 1.4 | 112.3 | D319 | D319-R321 PolarHBondContact O-N 3.49Å; D319-R321 VanDerWaalsContact O-N 3.08Å |
| 322 | K | 73.3 | Confident | 77.4 | Confident | 120 Ų | 120 | 98.9 Ų | 98.9 | 52% | 0.522 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69.5 | -37.9 | 176.7 | -69.2 | 178.9 | -174.2 | 144.2 | 0 | 111.1 | D319 R324 R325 K326 | D319-K322 HydrophobicContact CB-CB 3.95Å; D319-K322 HydrophobicContact CB-CD 4.02Å; D319-K322 HydrophobicContact CB-CG 4Å; D319-K322 PolarHBondContact O-N 2.71Å; D319-K322 WeakPolarHBondContact OD2-CD 3.44Å; D319-K322 WeakPolarHBondContact OD2-CE 3.38Å; D319-K322 IonicContact OD2-NZ 2.76Å; D319-K322 PolarHBondContact OD2-NZ 3.44Å; K322-R324 VanDerWaalsContact C-N 3.34Å; K322-R324 PolarHBondContact O-N 3.31Å; K322-R325 PolarHBondContact O-N 3.28Å; K322-K326 WeakPolarHBondContact O-CG 3.47Å; K322-K326 PolarHBondContact O-N 3.47Å |
| 323 | W | 78.2 | Confident | 77.8 | Confident | 73 Ų | 73 | 96.4 Ų | 96.4 | 28% | 0.277 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -55.5 | -46.4 | 176.2 | -178.8 | -96 | 0 | 0 | 0 | 112 | V318 D319 R325 W330 K331 K334 V335 | V318-W323 HydrophobicContact CG1-CB 4.12Å; V318-W323 HydrophobicContact CG1-CD2 4.18Å; V318-W323 HydrophobicContact CG1-CE3 3.76Å; V318-W323 HydrophobicContact CG1-CG 4.35Å; D319-W323 WeakPolarHBondContact O-CB 3.14Å; D319-W323 PolarHBondContact O-N 2.9Å; W323-R325 PolarHBondContact O-N 2.93Å; W323-W330 HydrophobicContact CE3-CZ3 4.05Å; W323-K331 HydrophobicContact CD2-CG 4.16Å; W323-K331 HydrophobicContact CE3-CB 4.47Å; W323-K331 HydrophobicContact CE3-CG 4.19Å; W323-K331 HydrophobicContact CH2-CB 3.57Å; W323-K331 HydrophobicContact CH2-CG 3.99Å; W323-K331 HydrophobicContact CZ2-CB 3.94Å; W323-K331 HydrophobicContact CZ2-CD 4.09Å; W323-K331 HydrophobicContact CZ2-CG 4.01Å; W323-K331 HydrophobicContact CZ3-CB 3.89Å; W323-K331 HydrophobicContact CZ3-CG 4.11Å; W323-K331 WeakPolarHBondContact O-CE 3.44Å; W323-K334 HydrophobicContact CZ3-CB 4.21Å; W323-K334 HydrophobicContact CZ3-CG 4.34Å; W323-V335 HydrophobicContact CH2-CG2 3.41Å; W323-V335 VanDerWaalsContact CH2-CG2 3.41Å; W323-V335 HydrophobicContact CZ2-CG2 4.48Å; W323-V335 HydrophobicContact CZ3-CG2 3.91Å |
| 324 | R | 79.7 | Confident | 78.6 | Confident | 211 Ų | 211 | 95 Ų | 95 | 80% | 0.796 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -64.7 | -36.8 | -179.7 | -74.1 | 179.8 | -176.7 | -112.8 | 2 | 113.8 | N320 K322 | N320-R324 WeakPolarHBondContact O-CG 3.38Å; N320-R324 PolarHBondContact O-N 2.81Å; K322-R324 VanDerWaalsContact C-N 3.34Å; K322-R324 PolarHBondContact O-N 3.31Å |
| 325 | R | 84.4 | Confident | 79.7 | Confident | 227 Ų | 227 | 98 Ų | 98 | 86% | 0.857 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -84.9 | -15.1 | -172.8 | -66.6 | -178.1 | -179.9 | 175 | 0.1 | 114.7 | K322 W323 | K322-R325 PolarHBondContact O-N 3.28Å; W323-R325 PolarHBondContact O-N 2.93Å |
| 326 | K | 85 | Confident | 80.1 | Confident | 102 Ų | 102 | 101 Ų | 101 | 44% | 0.443 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -92.5 | 150.9 | -173.2 | -74.2 | -71.6 | -176.8 | -171.6 | 0 | 112.8 | K322 W330 K331 | K322-K326 WeakPolarHBondContact O-CG 3.47Å; K322-K326 PolarHBondContact O-N 3.47Å; K326-W330 HydrophobicContact CB-CB 4.06Å; K326-W330 HydrophobicContact CB-CD2 3.69Å; K326-W330 HydrophobicContact CB-CE3 3.46Å; K326-W330 VanDerWaalsContact CB-CE3 3.46Å; K326-W330 HydrophobicContact CB-CG 3.95Å; K326-W330 HydrophobicContact CB-CZ3 4.18Å; K326-W330 HydrophobicContact CD-CD2 4.26Å; K326-W330 HydrophobicContact CD-CG 4.18Å; K326-W330 HydrophobicContact CG-CD2 3.74Å; K326-W330 HydrophobicContact CG-CE3 3.82Å; K326-W330 HydrophobicContact CG-CG 4.11Å; K326-W330 HydrophobicContact CG-CZ3 4.27Å; K326-K331 WeakPolarHBondContact O-CE 3.15Å |
| 327 | P | 89.9 | Confident | 80.4 | Confident | 81 Ų | 81 | 100.2 Ų | 100.2 | 53% | 0.526 | 46% | 0.464 | S | S | . | . | trans | -63.9 | 159.6 | 178.3 | 28.1 | -35.4 | 0 | 0 | 0 | 111.5 | T329 W330 K331 | P327-T329 VanDerWaalsContact C-N 3.26Å; P327-T329 PolarHBondContact O-N 2.93Å; P327-W330 HydrophobicContact CG-CB 4.19Å; P327-W330 WeakPolarHBondContact O-CB 3.26Å; P327-W330 PolarHBondContact O-N 2.97Å; P327-W330 VanDerWaalsContact O-N 3.1Å; P327-K331 PolarHBondContact O-N 3.28Å | ||
| 328 | W | 86.1 | Confident | 81.1 | Confident | 197 Ų | 197 | 100.5 Ų | 100.5 | 75% | 0.746 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -59.2 | -34.3 | -176.7 | -177.7 | 79.1 | 0 | 0 | 0 | 113.3 | W330 K331 V332 | W328-W330 PolarHBondContact O-N 3.48Å; W328-K331 WeakPolarHBondContact O-CB 3.29Å; W328-K331 PolarHBondContact O-N 2.88Å; W328-K331 VanDerWaalsContact O-N 3.09Å; W328-V332 HydrophobicContact CD2-CG2 3.86Å; W328-V332 HydrophobicContact CE3-CG2 4.15Å; W328-V332 HydrophobicContact CH2-CG2 3.91Å; W328-V332 HydrophobicContact CZ2-CG2 3.58Å; W328-V332 HydrophobicContact CZ3-CG2 4.17Å; W328-V332 WeakPolarHBondContact O-CG2 3.47Å; W328-V332 PolarHBondContact O-N 3.28Å |
| 329 | T | 83.5 | Confident | 81.8 | Confident | 97 Ų | 97 | 103.4 Ų | 103.4 | 60% | 0.595 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.7 | -42.8 | 174.9 | 51.7 | 0 | 0 | 0 | 0 | 112.6 | P327 K331 V332 V333 | P327-T329 VanDerWaalsContact C-N 3.26Å; P327-T329 PolarHBondContact O-N 2.93Å; T329-K331 VanDerWaalsContact C-N 3.32Å; T329-K331 PolarHBondContact O-N 3.26Å; T329-V332 PolarHBondContact O-N 3.3Å; T329-V333 WeakPolarHBondContact O-CG2 3.21Å; T329-V333 PolarHBondContact O-N 3.45Å |
| 330 | W | 85 | Confident | 82.3 | Confident | 84 Ų | 84 | 100.7 Ų | 100.7 | 32% | 0.318 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.1 | -37.3 | 175 | -176.1 | 93 | 0 | 0 | 0 | 111.5 | W323 K326 P327 W328 K334 | W323-W330 HydrophobicContact CE3-CZ3 4.05Å; K326-W330 HydrophobicContact CB-CB 4.06Å; K326-W330 HydrophobicContact CB-CD2 3.69Å; K326-W330 HydrophobicContact CB-CE3 3.46Å; K326-W330 VanDerWaalsContact CB-CE3 3.46Å; K326-W330 HydrophobicContact CB-CG 3.95Å; K326-W330 HydrophobicContact CB-CZ3 4.18Å; K326-W330 HydrophobicContact CD-CD2 4.26Å; K326-W330 HydrophobicContact CD-CG 4.18Å; K326-W330 HydrophobicContact CG-CD2 3.74Å; K326-W330 HydrophobicContact CG-CE3 3.82Å; K326-W330 HydrophobicContact CG-CG 4.11Å; K326-W330 HydrophobicContact CG-CZ3 4.27Å; P327-W330 HydrophobicContact CG-CB 4.19Å; P327-W330 WeakPolarHBondContact O-CB 3.26Å; P327-W330 PolarHBondContact O-N 2.97Å; P327-W330 VanDerWaalsContact O-N 3.1Å; W328-W330 PolarHBondContact O-N 3.48Å; W330-K334 HydrophobicContact CE3-CB 4.19Å; W330-K334 HydrophobicContact CH2-CB 4.21Å; W330-K334 HydrophobicContact CH2-CD 4.19Å; W330-K334 HydrophobicContact CH2-CG 3.87Å; W330-K334 HydrophobicContact CZ2-CD 4.32Å; W330-K334 HydrophobicContact CZ2-CG 4.38Å; W330-K334 HydrophobicContact CZ3-CB 4.02Å; W330-K334 HydrophobicContact CZ3-CG 4.04Å; W330-K334 VanDerWaalsContact O-CB 3.25Å; W330-K334 WeakPolarHBondContact O-CB 3.49Å; W330-K334 PolarHBondContact O-N 3.41Å |
| 331 | K | 84.2 | Confident | 82.9 | Confident | 53 Ų | 53 | 96 Ų | 96 | 23% | 0.23 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 176.9 | -68.3 | 176 | 177.4 | 167.3 | 0 | 111.5 | W323 K326 P327 W328 T329 K334 V335 | W323-K331 HydrophobicContact CD2-CG 4.16Å; W323-K331 HydrophobicContact CE3-CB 4.47Å; W323-K331 HydrophobicContact CE3-CG 4.19Å; W323-K331 HydrophobicContact CH2-CB 3.57Å; W323-K331 HydrophobicContact CH2-CG 3.99Å; W323-K331 HydrophobicContact CZ2-CB 3.94Å; W323-K331 HydrophobicContact CZ2-CD 4.09Å; W323-K331 HydrophobicContact CZ2-CG 4.01Å; W323-K331 HydrophobicContact CZ3-CB 3.89Å; W323-K331 HydrophobicContact CZ3-CG 4.11Å; W323-K331 WeakPolarHBondContact O-CE 3.44Å; K326-K331 WeakPolarHBondContact O-CE 3.15Å; P327-K331 PolarHBondContact O-N 3.28Å; W328-K331 WeakPolarHBondContact O-CB 3.29Å; W328-K331 PolarHBondContact O-N 2.88Å; W328-K331 VanDerWaalsContact O-N 3.09Å; T329-K331 VanDerWaalsContact C-N 3.32Å; T329-K331 PolarHBondContact O-N 3.26Å; K331-K334 PolarHBondContact O-N 3.46Å; K331-V335 WeakPolarHBondContact O-CG2 3.3Å; K331-V335 PolarHBondContact O-N 3.21Å |
| 332 | V | 84.8 | Confident | 83.6 | Confident | 59 Ų | 59 | 88.3 Ų | 88.3 | 36% | 0.358 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.1 | -49.8 | 176.9 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | W328 T329 K334 V335 V336 | W328-V332 HydrophobicContact CD2-CG2 3.86Å; W328-V332 HydrophobicContact CE3-CG2 4.15Å; W328-V332 HydrophobicContact CH2-CG2 3.91Å; W328-V332 HydrophobicContact CZ2-CG2 3.58Å; W328-V332 HydrophobicContact CZ3-CG2 4.17Å; W328-V332 WeakPolarHBondContact O-CG2 3.47Å; W328-V332 PolarHBondContact O-N 3.28Å; T329-V332 PolarHBondContact O-N 3.3Å; V332-K334 VanDerWaalsContact C-N 3.28Å; V332-K334 PolarHBondContact O-N 2.98Å; V332-V335 PolarHBondContact O-N 3.23Å; V332-V336 WeakPolarHBondContact O-CG2 3.3Å; V332-V336 PolarHBondContact O-N 2.97Å; V332-V336 VanDerWaalsContact O-N 3.08Å |
| 333 | V | 82.1 | Confident | 84.3 | Confident | 70 Ų | 70 | 87.3 Ų | 87.3 | 42% | 0.424 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.4 | -38.7 | 177.4 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | T329 K337 | T329-V333 WeakPolarHBondContact O-CG2 3.21Å; T329-V333 PolarHBondContact O-N 3.45Å; V333-K337 HydrophobicContact CG1-CD 3.84Å; V333-K337 VanDerWaalsContact CG1-CE 3.49Å; V333-K337 HydrophobicContact CG1-CG 4.49Å; V333-K337 WeakPolarHBondContact O-CB 3.43Å; V333-K337 WeakPolarHBondContact O-CG 3.29Å; V333-K337 PolarHBondContact O-N 2.96Å |
| 334 | K | 83.3 | Confident | 84.6 | Confident | 27 Ų | 27 | 84.2 Ų | 84.2 | 12% | 0.117 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -68.6 | -39.3 | 178 | -173.7 | 63.6 | 175.6 | 172.5 | 0 | 111.6 | P317 V318 W323 W330 K331 V332 K337 T338 E341 | P317-K334 VanDerWaalsContact O-CE 3.27Å; P317-K334 WeakPolarHBondContact O-CE 3.39Å; P317-K334 PolarHBondContact O-NZ 2.84Å; V318-K334 HydrophobicContact CG2-CG 4.44Å; W323-K334 HydrophobicContact CZ3-CB 4.21Å; W323-K334 HydrophobicContact CZ3-CG 4.34Å; W330-K334 HydrophobicContact CE3-CB 4.19Å; W330-K334 HydrophobicContact CH2-CB 4.21Å; W330-K334 HydrophobicContact CH2-CD 4.19Å; W330-K334 HydrophobicContact CH2-CG 3.87Å; W330-K334 HydrophobicContact CZ2-CD 4.32Å; W330-K334 HydrophobicContact CZ2-CG 4.38Å; W330-K334 HydrophobicContact CZ3-CB 4.02Å; W330-K334 HydrophobicContact CZ3-CG 4.04Å; W330-K334 VanDerWaalsContact O-CB 3.25Å; W330-K334 WeakPolarHBondContact O-CB 3.49Å; W330-K334 PolarHBondContact O-N 3.41Å; K331-K334 PolarHBondContact O-N 3.46Å; V332-K334 VanDerWaalsContact C-N 3.28Å; V332-K334 PolarHBondContact O-N 2.98Å; K334-K337 PolarHBondContact O-N 3.17Å; K334-T338 WeakPolarHBondContact O-CB 3.3Å; K334-T338 PolarHBondContact O-N 3.41Å; K334-T338 PolarHBondContact O-OG1 2.94Å; K334-E341 IonicContact NZ-OE1 3.5Å; K334-E341 IonicContact NZ-OE2 2.69Å; K334-E341 PolarHBondContact NZ-OE2 3.47Å |
| 335 | V | 86.1 | Confident | 84.9 | Confident | 84 Ų | 84 | 75.8 Ų | 75.8 | 51% | 0.509 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 176.2 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | W323 K331 V332 K337 T338 P339 | W323-V335 HydrophobicContact CH2-CG2 3.41Å; W323-V335 VanDerWaalsContact CH2-CG2 3.41Å; W323-V335 HydrophobicContact CZ2-CG2 4.48Å; W323-V335 HydrophobicContact CZ3-CG2 3.91Å; K331-V335 WeakPolarHBondContact O-CG2 3.3Å; K331-V335 PolarHBondContact O-N 3.21Å; V332-V335 PolarHBondContact O-N 3.23Å; V335-K337 VanDerWaalsContact C-N 3.29Å; V335-K337 PolarHBondContact O-N 3.34Å; V335-T338 PolarHBondContact O-N 2.97Å; V335-P339 WeakPolarHBondContact O-CD 3.25Å |
| 336 | V | 82.9 | Confident | 84.9 | Confident | 96 Ų | 96 | 67.8 Ų | 67.8 | 58% | 0.582 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.6 | -37.5 | 177 | 175.2 | 0 | 0 | 0 | 0 | 111.6 | V332 P339 | V332-V336 WeakPolarHBondContact O-CG2 3.3Å; V332-V336 PolarHBondContact O-N 2.97Å; V332-V336 VanDerWaalsContact O-N 3.08Å; V336-P339 WeakPolarHBondContact O-CD 3.33Å |
| 337 | K | 83.9 | Confident | 85 | Confident | 65 Ų | 65 | 63.9 Ų | 63.9 | 28% | 0.283 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -74.6 | -30 | 178.2 | -74 | 176 | 177.5 | -176.6 | 0 | 114.1 | L110 L114 V333 K334 V335 L340 E341 | L110-K337 HydrophobicContact CD1-CD 4.31Å; L110-K337 VanDerWaalsContact CD1-CE 3.5Å; L110-K337 HydrophobicContact CD1-CG 3.74Å; L110-K337 HydrophobicContact CD2-CG 3.99Å; L110-K337 HydrophobicContact CG-CG 4.13Å; L114-K337 HydrophobicContact CD1-CB 4.29Å; L114-K337 HydrophobicContact CD1-CG 4.26Å; V333-K337 HydrophobicContact CG1-CD 3.84Å; V333-K337 VanDerWaalsContact CG1-CE 3.49Å; V333-K337 HydrophobicContact CG1-CG 4.49Å; V333-K337 WeakPolarHBondContact O-CB 3.43Å; V333-K337 WeakPolarHBondContact O-CG 3.29Å; V333-K337 PolarHBondContact O-N 2.96Å; K334-K337 PolarHBondContact O-N 3.17Å; V335-K337 VanDerWaalsContact C-N 3.29Å; V335-K337 PolarHBondContact O-N 3.34Å; K337-L340 PolarHBondContact O-N 2.96Å; K337-E341 WeakPolarHBondContact O-CB 3.35Å; K337-E341 PolarHBondContact O-N 2.99Å |
| 338 | T | 84.6 | Confident | 84.9 | Confident | 29 Ų | 29 | 60.1 Ų | 60.1 | 18% | 0.178 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.6 | -50.5 | -171.6 | -64.9 | 0 | 0 | 0 | 0 | 114.3 | P317 V318 K334 V335 L340 E341 V342 | P317-T338 HydrophobicContact CG-CG2 3.76Å; V318-T338 HydrophobicContact CG2-CG2 4.29Å; K334-T338 WeakPolarHBondContact O-CB 3.3Å; K334-T338 PolarHBondContact O-N 3.41Å; K334-T338 PolarHBondContact O-OG1 2.94Å; V335-T338 PolarHBondContact O-N 2.97Å; T338-L340 PolarHBondContact O-N 3.48Å; T338-E341 PolarHBondContact O-N 3.03Å; T338-E341 VanDerWaalsContact O-N 3.13Å; T338-V342 HydrophobicContact CG2-CG2 4.21Å; T338-V342 VanDerWaalsContact O-CG2 3.3Å; T338-V342 WeakPolarHBondContact O-CG2 3.24Å; T338-V342 PolarHBondContact O-N 3.23Å |
| 339 | P | 86.1 | Confident | 85 | Confident | 87 Ų | 87 | 50.7 Ų | 50.7 | 57% | 0.565 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -60.2 | -38.4 | -177 | 23.2 | -33.9 | 0 | 0 | 0 | 111.8 | V335 V336 L343 | V335-P339 WeakPolarHBondContact O-CD 3.25Å; V336-P339 WeakPolarHBondContact O-CD 3.33Å; P339-L343 PolarHBondContact O-N 3.33Å; P339-L343 VanDerWaalsContact O-N 3.11Å |
| 340 | L | 83.8 | Confident | 85.1 | Confident | 30 Ų | 30 | 47 Ų | 47 | 16% | 0.157 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.6 | -44.8 | 175.8 | 174.7 | 64.6 | 0 | 0 | 0 | 112.2 | L110 I111 L114 K337 T338 V342 L343 L344 | L110-L340 HydrophobicContact CD2-CD2 3.33Å; I111-L340 HydrophobicContact CB-CD2 4.11Å; I111-L340 HydrophobicContact CD1-CD1 3.97Å; I111-L340 HydrophobicContact CD1-CD2 4.27Å; I111-L340 HydrophobicContact CG1-CD1 3.55Å; I111-L340 HydrophobicContact CG1-CD2 3.21Å; I111-L340 HydrophobicContact CG1-CG 3.93Å; I111-L340 HydrophobicContact CG2-CD1 4.47Å; L114-L340 HydrophobicContact CD1-CD2 3.85Å; L114-L340 HydrophobicContact CD1-CG 4.39Å; K337-L340 PolarHBondContact O-N 2.96Å; T338-L340 PolarHBondContact O-N 3.48Å; L340-V342 VanDerWaalsContact C-N 3.26Å; L340-V342 PolarHBondContact O-N 3.4Å; L340-L343 WeakPolarHBondContact O-CB 3.48Å; L340-L343 PolarHBondContact O-N 3.23Å; L340-L343 VanDerWaalsContact O-N 3.17Å; L340-L344 HydrophobicContact CD1-CD1 4.31Å; L340-L344 HydrophobicContact CD1-CG 4.23Å; L340-L344 HydrophobicContact CG-CD1 4.15Å; L340-L344 HydrophobicContact CG-CG 4.47Å; L340-L344 VanDerWaalsContact O-CG 3.26Å; L340-L344 WeakPolarHBondContact O-CG 3.41Å; L340-L344 PolarHBondContact O-N 3.49Å |
| 341 | E | 83.6 | Confident | 85 | Confident | 14 Ų | 14 | 43.3 Ų | 43.3 | 7% | 0.065 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.9 | -38.2 | 177.2 | -169 | 171.7 | -172.3 | 0 | 0 | 111.4 | P317 K334 K337 T338 L344 L345 | P317-E341 HydrophobicContact CB-CB 4.42Å; P317-E341 VanDerWaalsContact CB-CD 3.44Å; P317-E341 HydrophobicContact CB-CG 3.85Å; P317-E341 HydrophobicContact CG-CB 4.45Å; P317-E341 HydrophobicContact CG-CG 4.4Å; K334-E341 IonicContact NZ-OE1 3.5Å; K334-E341 IonicContact NZ-OE2 2.69Å; K334-E341 PolarHBondContact NZ-OE2 3.47Å; K337-E341 WeakPolarHBondContact O-CB 3.35Å; K337-E341 PolarHBondContact O-N 2.99Å; T338-E341 PolarHBondContact O-N 3.03Å; T338-E341 VanDerWaalsContact O-N 3.13Å; E341-L344 PolarHBondContact O-N 2.9Å; E341-L345 HydrophobicContact CG-CD1 4.29Å; E341-L345 WeakPolarHBondContact O-CB 3.04Å; E341-L345 WeakPolarHBondContact O-CG 3.33Å; E341-L345 PolarHBondContact O-N 2.89Å |
| 342 | V | 85.9 | Confident | 84.7 | Confident | 48 Ų | 48 | 42.2 Ų | 42.2 | 29% | 0.291 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.3 | -45.4 | 174.2 | 174 | 0 | 0 | 0 | 0 | 111.5 | P317 T338 L340 L344 L345 L346 | P317-V342 HydrophobicContact CG-CG2 3.97Å; T338-V342 HydrophobicContact CG2-CG2 4.21Å; T338-V342 VanDerWaalsContact O-CG2 3.3Å; T338-V342 WeakPolarHBondContact O-CG2 3.24Å; T338-V342 PolarHBondContact O-N 3.23Å; L340-V342 VanDerWaalsContact C-N 3.26Å; L340-V342 PolarHBondContact O-N 3.4Å; V342-L344 VanDerWaalsContact C-N 3.31Å; V342-L344 PolarHBondContact O-N 2.85Å; V342-L345 PolarHBondContact O-N 3.49Å; V342-L346 PolarHBondContact O-N 3.41Å |
| 343 | L | 86.3 | Confident | 84 | Confident | 100 Ų | 100 | 41.4 Ų | 41.4 | 52% | 0.524 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.2 | -44.5 | 176.4 | -178.9 | 65.4 | 0 | 0 | 0 | 111.1 | P339 L340 L346 C347 | P339-L343 PolarHBondContact O-N 3.33Å; P339-L343 VanDerWaalsContact O-N 3.11Å; L340-L343 WeakPolarHBondContact O-CB 3.48Å; L340-L343 PolarHBondContact O-N 3.23Å; L340-L343 VanDerWaalsContact O-N 3.17Å; L343-L346 WeakPolarHBondContact O-CB 3.45Å; L343-L346 PolarHBondContact O-N 3.45Å; L343-C347 PolarHBondContact O-N 2.86Å; L343-C347 PolarHBondContact O-SG 3.08Å; L343-C347 VanDerWaalsContact O-SG 3.34Å |
| 344 | L | 85.1 | Confident | 83.2 | Confident | 7 Ų | 7 | 44.3 Ų | 44.3 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.8 | -41.6 | 177.8 | -63.3 | 177 | 0 | 0 | 0 | 112.3 | L114 F119 L340 E341 V342 L346 C347 V348 L438 | L114-L344 HydrophobicContact CB-CD1 4.1Å; F119-L344 HydrophobicContact CD2-CB 4.32Å; F119-L344 HydrophobicContact CE1-CB 4.16Å; F119-L344 HydrophobicContact CE2-CB 3.44Å; F119-L344 VanDerWaalsContact CE2-CB 3.44Å; F119-L344 HydrophobicContact CE2-CD1 3.87Å; F119-L344 HydrophobicContact CE2-CG 4.27Å; F119-L344 HydrophobicContact CZ-CB 3.35Å; L340-L344 HydrophobicContact CD1-CD1 4.31Å; L340-L344 HydrophobicContact CD1-CG 4.23Å; L340-L344 HydrophobicContact CG-CD1 4.15Å; L340-L344 HydrophobicContact CG-CG 4.47Å; L340-L344 VanDerWaalsContact O-CG 3.26Å; L340-L344 WeakPolarHBondContact O-CG 3.41Å; L340-L344 PolarHBondContact O-N 3.49Å; E341-L344 PolarHBondContact O-N 2.9Å; V342-L344 VanDerWaalsContact C-N 3.31Å; V342-L344 PolarHBondContact O-N 2.85Å; L344-L346 VanDerWaalsContact C-N 3.25Å; L344-L346 PolarHBondContact O-N 2.87Å; L344-C347 PolarHBondContact O-N 3.27Å; L344-V348 WeakPolarHBondContact O-CB 3.22Å; L344-V348 PolarHBondContact O-N 2.91Å; L344-L438 HydrophobicContact CD2-CD2 3.15Å; L344-L438 HydrophobicContact CD2-CG 4.46Å |
| 345 | L | 85.7 | Confident | 82.5 | Confident | 34 Ų | 34 | 47.9 Ų | 47.9 | 18% | 0.178 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.3 | -33.1 | 174.9 | -76.5 | 167.4 | 0 | 0 | 0 | 112.6 | F119 L315 P317 E341 V342 C347 H368 | F119-L345 HydrophobicContact CE1-CD2 3.85Å; F119-L345 HydrophobicContact CE1-CG 4.17Å; F119-L345 HydrophobicContact CZ-CD2 4.04Å; F119-L345 HydrophobicContact CZ-CG 3.98Å; L315-L345 HydrophobicContact CD2-CB 4.48Å; P317-L345 HydrophobicContact CB-CD1 4.22Å; E341-L345 HydrophobicContact CG-CD1 4.29Å; E341-L345 WeakPolarHBondContact O-CB 3.04Å; E341-L345 WeakPolarHBondContact O-CG 3.33Å; E341-L345 PolarHBondContact O-N 2.89Å; V342-L345 PolarHBondContact O-N 3.49Å; L345-C347 VanDerWaalsContact C-N 3.34Å; L345-H368 PolarHBondContact O-NE2 3.21Å |
| 346 | L | 85.9 | Confident | 81.3 | Confident | 60 Ų | 60 | 52.1 Ų | 52.1 | 31% | 0.314 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -73 | -28.8 | 177.7 | -164.5 | 73 | 0 | 0 | 0 | 112.8 | L315 V342 L343 L344 L367 H368 T371 | L315-L346 HydrophobicContact CD1-CD1 4.38Å; L315-L346 HydrophobicContact CD2-CB 4.48Å; L315-L346 HydrophobicContact CD2-CD1 3.92Å; V342-L346 PolarHBondContact O-N 3.41Å; L343-L346 WeakPolarHBondContact O-CB 3.45Å; L343-L346 PolarHBondContact O-N 3.45Å; L344-L346 VanDerWaalsContact C-N 3.25Å; L344-L346 PolarHBondContact O-N 2.87Å; L346-L367 HydrophobicContact CD1-CD2 3.41Å; L346-L367 VanDerWaalsContact CD1-CD2 3.41Å; L346-L367 HydrophobicContact CG-CD2 4.12Å; L346-H368 PolarHBondContact O-CD2 2.85Å; L346-T371 PolarHBondContact O-OG1 3.13Å |
| 347 | C | 85.4 | Confident | 80.3 | Confident | 19 Ų | 19 | 52 Ų | 52 | 13% | 0.128 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -100.1 | -29.3 | -171.4 | -69.6 | 0 | 0 | 0 | 0 | 113.7 | L343 L344 L345 A372 L375 | L343-C347 PolarHBondContact O-N 2.86Å; L343-C347 PolarHBondContact O-SG 3.08Å; L343-C347 VanDerWaalsContact O-SG 3.34Å; L344-C347 PolarHBondContact O-N 3.27Å; L345-C347 VanDerWaalsContact C-N 3.34Å; C347-A372 WeakPolarHBondContact O-CB 3.29Å; C347-L375 HydrophobicContact CB-CD2 4Å |
| 348 | V | 87.7 | Confident | 79.4 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -116.7 | 118 | -169.9 | -170.3 | 0 | 0 | 0 | 0 | 111 | F119 L344 H368 V434 | F119-V348 HydrophobicContact CB-CB 4.42Å; F119-V348 HydrophobicContact CB-CG1 3.82Å; F119-V348 HydrophobicContact CD1-CB 3.61Å; F119-V348 HydrophobicContact CD1-CG1 3.82Å; F119-V348 HydrophobicContact CD1-CG2 4.42Å; F119-V348 HydrophobicContact CE1-CB 4.2Å; F119-V348 HydrophobicContact CG-CB 4.19Å; F119-V348 HydrophobicContact CG-CG1 4.13Å; L344-V348 WeakPolarHBondContact O-CB 3.22Å; L344-V348 PolarHBondContact O-N 2.91Å; V348-H368 PolarHBondContact O-CE1 3.37Å; V348-V434 HydrophobicContact CG2-CG1 3.99Å |
| 349 | P | 89.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -66.5 | 139.6 | 171.5 | 22 | -25 | 0 | 0 | 0 | 110.8 | N123 H368 F427 L430 G431 | N123-P349 PolarHBondContact ND2-O 3.04Å; N123-P349 PolarHBondContact OD1-O 3.47Å; P349-H368 VanDerWaalsContact CA-CE1 3.47Å; P349-H368 WeakPolarHBondContact CA-CE1 3.48Å; P349-H368 VanDerWaalsContact CA-ND1 3.29Å; P349-H368 WeakPolarHBondContact CA-ND1 3.11Å; P349-H368 HydrophobicContact CB-CB 4.01Å; P349-H368 WeakPolarHBondContact CB-ND1 3.36Å; P349-H368 HydrophobicContact CG-CB 4.1Å; P349-F427 HydrophobicContact CB-CB 4.43Å; P349-F427 HydrophobicContact CB-CD1 4.28Å; P349-L430 HydrophobicContact CG-CB 4.26Å; P349-L430 HydrophobicContact CG-CD2 4.11Å; P349-L430 HydrophobicContact CG-CG 3.99Å; P349-G431 VanDerWaalsContact O-CA 3.31Å; P349-G431 WeakPolarHBondContact O-CA 3.4Å | ||
| 350 | V | 86.1 | Confident | 78.8 | Confident | 18 Ų | 18 | 51.8 Ų | 51.8 | 11% | 0.109 | 26% | 0.261 | C | S | . | . | trans | -125.9 | 119.8 | 177.6 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | F119 P122 N123 N359 | F119-V350 HydrophobicContact CB-CG2 4.33Å; F119-V350 HydrophobicContact CD1-CG2 3.23Å; F119-V350 HydrophobicContact CE1-CG2 3.79Å; F119-V350 HydrophobicContact CG-CG2 4.12Å; P122-V350 HydrophobicContact CB-CG1 4.17Å; N123-V350 WeakPolarHBondContact OD1-CA 3.43Å; V350-N359 PolarHBondContact O-ND2 3.3Å | ||
| 351 | V | 83.1 | Confident | 78.7 | Confident | 7 Ų | 7 | 54.5 Ų | 54.5 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | trans | -108.9 | 117.5 | 169.5 | -178.7 | 0 | 0 | 0 | 0 | 107.6 | P122 N123 A126 F427 A428 | P122-V351 CarbonylContact C-O 3.59Å; N123-V351 PolarHBondContact OD1-N 3.39Å; A126-V351 HydrophobicContact CB-CB 4.18Å; A126-V351 HydrophobicContact CB-CG1 3.94Å; V351-F427 HydrophobicContact CG2-CB 3.83Å; V351-A428 HydrophobicContact CB-CB 3.74Å; V351-A428 HydrophobicContact CG1-CB 4.25Å; V351-A428 HydrophobicContact CG2-CB 3.92Å | ||
| 352 | D | 77.5 | Confident | 78.6 | Confident | 30 Ų | 30 | 55.9 Ų | 55.9 | 16% | 0.16 | 27% | 0.273 | C | S | . | . | trans | -112 | 111.6 | -178.1 | -171.9 | -12.3 | 0 | 0 | 0 | 108.7 | D354 K355 R358 N359 | D352-D354 PolarHBondContact O-N 3Å; D352-D354 WeakPolarHBondContact OD1-CB 3.4Å; D352-D354 PolarHBondContact OD1-N 2.91Å; D352-D354 VanDerWaalsContact OD1-N 3.09Å; D352-K355 HydrophobicContact CB-CD 4.37Å; D352-K355 HydrophobicContact CB-CG 4.39Å; D352-K355 WeakPolarHBondContact OD2-CE 3.48Å; D352-R358 VanDerWaalsContact O-CA 3.3Å; D352-R358 WeakPolarHBondContact O-CA 3.38Å; D352-N359 HydrophobicContact CB-CB 4.29Å | ||
| 353 | P | 68.8 | Low | 78.5 | Confident | 42 Ų | 42 | 54.5 Ų | 54.5 | 27% | 0.273 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -17.4 | -177.9 | 30.4 | -33.3 | 0 | 0 | 0 | 112.8 | A126 K355 | A126-P353 HydrophobicContact CB-CG 4.49Å; P353-K355 VanDerWaalsContact C-N 3.32Å |
| 354 | D | 65 | Low | 78.4 | Confident | 131 Ų | 131 | 50.1 Ų | 50.1 | 70% | 0.701 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -11.6 | -175.2 | -62 | -29.4 | 0 | 0 | 0 | 112.7 | D352 | D352-D354 PolarHBondContact O-N 3Å; D352-D354 WeakPolarHBondContact OD1-CB 3.4Å; D352-D354 PolarHBondContact OD1-N 2.91Å; D352-D354 VanDerWaalsContact OD1-N 3.09Å |
| 355 | K | 68.8 | Low | 78.5 | Confident | 103 Ų | 103 | 49.9 Ų | 49.9 | 45% | 0.448 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -96.7 | 140.1 | 175.7 | -63.5 | -176.9 | -172.3 | 176.4 | 0 | 111.3 | D352 P353 D357 R358 N359 | D352-K355 HydrophobicContact CB-CD 4.37Å; D352-K355 HydrophobicContact CB-CG 4.39Å; D352-K355 WeakPolarHBondContact OD2-CE 3.48Å; P353-K355 VanDerWaalsContact C-N 3.32Å; K355-D357 VanDerWaalsContact C-N 3.29Å; K355-D357 PolarHBondContact O-N 3.32Å; K355-R358 PolarHBondContact O-N 3.46Å; K355-N359 HydrophobicContact CD-CB 4.44Å; K355-N359 PolarHBondContact NZ-OD1 3.26Å |
| 356 | E | 62.8 | Low | 78.5 | Confident | 173 Ų | 173 | 48.7 Ų | 48.7 | 81% | 0.808 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -43.7 | 178.8 | -67.7 | -176.3 | 165.8 | 0 | 0 | 112.9 | R298 R358 | R298-E356 IonicContact NH2-OE2 3.91Å; E356-R358 VanDerWaalsContact C-N 3.29Å; E356-R358 PolarHBondContact O-N 3.49Å |
| 357 | D | 61.5 | Low | 78.6 | Confident | 94 Ų | 94 | 48.4 Ų | 48.4 | 50% | 0.503 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 6.3 | -178.9 | -58.5 | -32.3 | 0 | 0 | 0 | 113.9 | K355 N359 W360 | K355-D357 VanDerWaalsContact C-N 3.29Å; K355-D357 PolarHBondContact O-N 3.32Å; D357-N359 PolarHBondContact O-N 3.38Å; D357-W360 WeakPolarHBondContact O-CB 3.43Å; D357-W360 PolarHBondContact O-N 3.17Å |
| 358 | R | 65.4 | Low | 78.9 | Confident | 125 Ų | 125 | 47.7 Ų | 47.7 | 47% | 0.472 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 29 | -172.6 | -60.2 | -177.8 | 176.5 | -179.3 | -2.4 | 114.4 | D352 K355 E356 W360 H424 | D352-R358 VanDerWaalsContact O-CA 3.3Å; D352-R358 WeakPolarHBondContact O-CA 3.38Å; K355-R358 PolarHBondContact O-N 3.46Å; E356-R358 VanDerWaalsContact C-N 3.29Å; E356-R358 PolarHBondContact O-N 3.49Å; R358-W360 VanDerWaalsContact C-N 3.29Å; R358-W360 PolarHBondContact O-N 3.22Å; R358-H424 PolarHBondContact O-NE2 2.84Å |
| 359 | N | 77.6 | Confident | 78.9 | Confident | 38 Ų | 38 | 48.8 Ų | 48.8 | 20% | 0.203 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 30.9 | -175.1 | -157.5 | 60.8 | 0 | 0 | 0 | 114.5 | V350 D352 K355 D357 R361 | V350-N359 PolarHBondContact O-ND2 3.3Å; D352-N359 HydrophobicContact CB-CB 4.29Å; K355-N359 HydrophobicContact CD-CB 4.44Å; K355-N359 PolarHBondContact NZ-OD1 3.26Å; D357-N359 PolarHBondContact O-N 3.38Å; N359-R361 PolarHBondContact O-N 2.84Å |
| 360 | W | 80.4 | Confident | 79 | Confident | 13 Ų | 13 | 50 Ų | 50 | 5% | 0.049 | 24% | 0.241 | C | C | . | . | trans | -67.8 | 118.9 | 178.7 | 179.2 | -113 | 0 | 0 | 0 | 112.3 | D357 R358 R362 N365 T415 T416 H419 P420 P421 H424 F427 | D357-W360 WeakPolarHBondContact O-CB 3.43Å; D357-W360 PolarHBondContact O-N 3.17Å; R358-W360 VanDerWaalsContact C-N 3.29Å; R358-W360 PolarHBondContact O-N 3.22Å; W360-R362 HydrophobicContact CZ2-CB 4.2Å; W360-N365 HydrophobicContact CH2-CB 4.5Å; W360-N365 HydrophobicContact CZ3-CB 4.1Å; W360-N365 WeakPolarHBondContact CZ3-ND2 3.42Å; W360-T415 HydrophobicContact CH2-CG2 4.39Å; W360-T415 HydrophobicContact CZ2-CG2 4.24Å; W360-T416 PolarHBondContact NE1-O 2.8Å; W360-H419 PolarHBondContact NE1-O 3.38Å; W360-P420 HydrophobicContact CB-CB 4.11Å; W360-P420 HydrophobicContact CD2-CB 4.41Å; W360-P420 HydrophobicContact CG-CB 4.18Å; W360-P421 HydrophobicContact CE3-CG 4.41Å; W360-P421 VanDerWaalsContact CH2-CD 3.43Å; W360-P421 HydrophobicContact CH2-CG 3.59Å; W360-P421 HydrophobicContact CZ2-CG 4.1Å; W360-P421 VanDerWaalsContact CZ3-CD 3.46Å; W360-P421 HydrophobicContact CZ3-CG 3.75Å; W360-H424 AromaticContact CE3-CE1 3.61Å; W360-H424 AromaticContact CE3-ND1 3.32Å; W360-H424 VanDerWaalsContact CE3-ND1 3.32Å; W360-H424 AromaticContact CZ3-ND1 3.67Å; W360-F427 HydrophobicContact CZ3-CE2 4.25Å | ||
| 361 | R | 81.3 | Confident | 79.1 | Confident | 86 Ų | 86 | 50.6 Ų | 50.6 | 33% | 0.325 | 24% | 0.244 | S | C | . | . | trans | -136.7 | 95.1 | 174.9 | -61 | -66.6 | -170.5 | 179.5 | 4.9 | 108.7 | S314 N359 L364 N365 | S314-R361 WeakPolarHBondContact OG-CD 3.41Å; S314-R361 VanDerWaalsContact OG-CG 3.31Å; S314-R361 WeakPolarHBondContact OG-CG 3.34Å; S314-R361 PolarHBondContact OG-NE 3.39Å; N359-R361 PolarHBondContact O-N 2.84Å; R361-L364 HydrophobicContact CB-CB 3.97Å; R361-L364 PolarHBondContact O-N 3.4Å; R361-L364 VanDerWaalsContact O-N 3.12Å; R361-N365 PolarHBondContact O-N 2.94Å | ||
| 362 | R | 81.8 | Confident | 79.4 | Confident | 44 Ų | 44 | 50.2 Ų | 50.2 | 17% | 0.166 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -46.3 | -51.8 | -175.4 | -179.6 | 175.9 | 162.6 | -141.2 | 1.2 | 115 | W360 L364 S366 F412 T415 N417 | W360-R362 HydrophobicContact CZ2-CB 4.2Å; R362-L364 VanDerWaalsContact C-N 3.35Å; R362-L364 PolarHBondContact O-N 3.4Å; R362-S366 VanDerWaalsContact O-CB 3.3Å; R362-S366 WeakPolarHBondContact O-CB 3.08Å; R362-S366 PolarHBondContact O-N 3.49Å; R362-S366 PolarHBondContact O-OG 3.41Å; R362-F412 HydrophobicContact CG-CD2 4.23Å; R362-F412 HydrophobicContact CG-CE2 4.48Å; R362-F412 PolarHBondContact NE-O 2.8Å; R362-F412 PolarHBondContact NH2-O 2.89Å; R362-T415 WeakPolarHBondContact CD-O 3.31Å; R362-T415 PolarHBondContact NE-O 2.9Å; R362-T415 VanDerWaalsContact NE-O 3.11Å; R362-N417 WeakPolarHBondContact CB-OD1 3.41Å; R362-N417 WeakPolarHBondContact CD-OD1 3.25Å |
| 363 | P | 83.2 | Confident | 79.9 | Confident | 18 Ų | 18 | 50.6 Ų | 50.6 | 12% | 0.117 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.4 | -35.9 | -177.7 | 26.3 | -34.6 | 0 | 0 | 0 | 112.6 | T307 I310 L311 L367 | T307-P363 HydrophobicContact CG2-CB 3.78Å; T307-P363 HydrophobicContact CG2-CG 3.81Å; I310-P363 HydrophobicContact CG2-CG 4.37Å; L311-P363 HydrophobicContact CB-CG 4.24Å; L311-P363 HydrophobicContact CD1-CB 4.33Å; L311-P363 HydrophobicContact CD1-CG 4.48Å; P363-L367 WeakPolarHBondContact O-CB 3.46Å; P363-L367 PolarHBondContact O-N 2.93Å; P363-L367 VanDerWaalsContact O-N 3.07Å |
| 364 | L | 84.7 | Confident | 80.8 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.9 | -46.4 | 179.6 | -173.3 | 66.3 | 0 | 0 | 0 | 111.1 | L311 L315 R361 R362 S366 L367 H368 | L311-L364 HydrophobicContact CD1-CB 4.26Å; L311-L364 HydrophobicContact CD1-CD1 4.21Å; L315-L364 HydrophobicContact CD2-CD1 4.08Å; R361-L364 HydrophobicContact CB-CB 3.97Å; R361-L364 PolarHBondContact O-N 3.4Å; R361-L364 VanDerWaalsContact O-N 3.12Å; R362-L364 VanDerWaalsContact C-N 3.35Å; R362-L364 PolarHBondContact O-N 3.4Å; L364-S366 VanDerWaalsContact C-N 3.32Å; L364-S366 PolarHBondContact O-N 2.67Å; L364-L367 WeakPolarHBondContact O-CB 3.43Å; L364-L367 PolarHBondContact O-N 3.31Å; L364-L367 VanDerWaalsContact O-N 3.12Å; L364-H368 VanDerWaalsContact CG-CE1 3.47Å; L364-H368 WeakPolarHBondContact CG-CE1 3.46Å; L364-H368 VanDerWaalsContact O-CG 3.23Å; L364-H368 PolarHBondContact O-N 2.89Å; L364-H368 PolarHBondContact O-ND1 2.96Å |
| 365 | N | 86.3 | Confident | 81.9 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.011 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.5 | -34 | 177.6 | -69.1 | -11.3 | 0 | 0 | 0 | 112.2 | W360 R361 L367 H368 L369 F427 | W360-N365 HydrophobicContact CH2-CB 4.5Å; W360-N365 HydrophobicContact CZ3-CB 4.1Å; W360-N365 WeakPolarHBondContact CZ3-ND2 3.42Å; R361-N365 PolarHBondContact O-N 2.94Å; N365-L367 VanDerWaalsContact C-N 3.34Å; N365-H368 PolarHBondContact O-N 3.49Å; N365-L369 PolarHBondContact O-N 3.02Å; N365-F427 HydrophobicContact CB-CD1 4.33Å; N365-F427 HydrophobicContact CB-CE1 3.98Å; N365-F427 HydrophobicContact CB-CZ 4.31Å; N365-F427 WeakPolarHBondContact O-CE1 3.36Å |
| 366 | S | 86.3 | Confident | 82.6 | Confident | 8 Ų | 8 | 42 Ų | 42 | 6% | 0.056 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.1 | -39 | 172.5 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | R362 L364 H368 L369 A408 | R362-S366 VanDerWaalsContact O-CB 3.3Å; R362-S366 WeakPolarHBondContact O-CB 3.08Å; R362-S366 PolarHBondContact O-N 3.49Å; R362-S366 PolarHBondContact O-OG 3.41Å; L364-S366 VanDerWaalsContact C-N 3.32Å; L364-S366 PolarHBondContact O-N 2.67Å; S366-H368 VanDerWaalsContact C-N 3.34Å; S366-L369 PolarHBondContact O-N 2.65Å; S366-A408 VanDerWaalsContact O-CB 3.27Å; S366-A408 WeakPolarHBondContact O-CB 3.46Å |
| 367 | L | 88.6 | Confident | 83.6 | Confident | 55 Ų | 55 | 35 Ų | 35 | 29% | 0.288 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -65.2 | -38 | 173.9 | -175.8 | 64.5 | 0 | 0 | 0 | 111.7 | L346 P363 L364 N365 L369 I370 T371 | L346-L367 HydrophobicContact CD1-CD2 3.41Å; L346-L367 VanDerWaalsContact CD1-CD2 3.41Å; L346-L367 HydrophobicContact CG-CD2 4.12Å; P363-L367 WeakPolarHBondContact O-CB 3.46Å; P363-L367 PolarHBondContact O-N 2.93Å; P363-L367 VanDerWaalsContact O-N 3.07Å; L364-L367 WeakPolarHBondContact O-CB 3.43Å; L364-L367 PolarHBondContact O-N 3.31Å; L364-L367 VanDerWaalsContact O-N 3.12Å; N365-L367 VanDerWaalsContact C-N 3.34Å; L367-L369 PolarHBondContact O-N 2.88Å; L367-I370 WeakPolarHBondContact O-CA 3.44Å; L367-I370 WeakPolarHBondContact O-CB 3.12Å; L367-I370 PolarHBondContact O-N 3.41Å; L367-T371 HydrophobicContact CD1-CG2 3.94Å; L367-T371 HydrophobicContact CG-CG2 3.87Å; L367-T371 PolarHBondContact O-N 3.43Å; L367-T371 PolarHBondContact O-OG1 3.21Å |
| 368 | H | 90.2 | Very high | 84.7 | Confident | 3 Ų | 3 | 34 Ų | 34 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.8 | -28.5 | 176.9 | -65.1 | 151.8 | 0 | 0 | 0 | 113.7 | L345 L346 V348 P349 L364 N365 S366 I370 T371 A372 P373 | L345-H368 PolarHBondContact O-NE2 3.21Å; L346-H368 PolarHBondContact O-CD2 2.85Å; V348-H368 PolarHBondContact O-CE1 3.37Å; P349-H368 VanDerWaalsContact CA-CE1 3.47Å; P349-H368 WeakPolarHBondContact CA-CE1 3.48Å; P349-H368 VanDerWaalsContact CA-ND1 3.29Å; P349-H368 WeakPolarHBondContact CA-ND1 3.11Å; P349-H368 HydrophobicContact CB-CB 4.01Å; P349-H368 WeakPolarHBondContact CB-ND1 3.36Å; P349-H368 HydrophobicContact CG-CB 4.1Å; L364-H368 VanDerWaalsContact CG-CE1 3.47Å; L364-H368 WeakPolarHBondContact CG-CE1 3.46Å; L364-H368 VanDerWaalsContact O-CG 3.23Å; L364-H368 PolarHBondContact O-N 2.89Å; L364-H368 PolarHBondContact O-ND1 2.96Å; N365-H368 PolarHBondContact O-N 3.49Å; S366-H368 VanDerWaalsContact C-N 3.34Å; H368-I370 PolarHBondContact O-N 2.85Å; H368-T371 WeakPolarHBondContact CA-OG1 3.42Å; H368-A372 WeakPolarHBondContact O-CB 3.33Å; H368-A372 PolarHBondContact O-N 3.48Å; H368-P373 WeakPolarHBondContact O-CD 3.44Å |
| 369 | L | 88.9 | Confident | 85.4 | Confident | 26 Ų | 26 | 29 Ų | 29 | 14% | 0.136 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.5 | -20.1 | 172.8 | -67.3 | 172.1 | 0 | 0 | 0 | 113 | N365 S366 L367 P373 G404 A408 V411 F427 L430 | N365-L369 PolarHBondContact O-N 3.02Å; S366-L369 PolarHBondContact O-N 2.65Å; L367-L369 PolarHBondContact O-N 2.88Å; L369-P373 WeakPolarHBondContact O-CD 3.42Å; L369-P373 WeakPolarHBondContact O-CG 3.48Å; L369-G404 VanDerWaalsContact O-CA 3.32Å; L369-G404 WeakPolarHBondContact O-CA 3.35Å; L369-A408 HydrophobicContact CB-CB 4.2Å; L369-V411 HydrophobicContact CD1-CB 3.8Å; L369-V411 HydrophobicContact CD1-CG1 4.24Å; L369-V411 HydrophobicContact CD1-CG2 3.61Å; L369-F427 HydrophobicContact CD1-CE1 4.34Å; L369-F427 HydrophobicContact CD1-CZ 4.1Å; L369-F427 HydrophobicContact CD2-CE1 3.75Å; L369-F427 HydrophobicContact CD2-CZ 4.01Å; L369-F427 HydrophobicContact CG-CE1 3.84Å; L369-F427 HydrophobicContact CG-CZ 4.1Å; L369-L430 HydrophobicContact CD2-CD2 4.35Å |
| 370 | I | 89.9 | Confident | 85.3 | Confident | 26 Ų | 26 | 29 Ų | 29 | 13% | 0.133 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -96 | -54.3 | 175.4 | -57.7 | 153.8 | 0 | 0 | 0 | 109.4 | L367 H368 L374 L401 M405 A408 | L367-I370 WeakPolarHBondContact O-CA 3.44Å; L367-I370 WeakPolarHBondContact O-CB 3.12Å; L367-I370 PolarHBondContact O-N 3.41Å; H368-I370 PolarHBondContact O-N 2.85Å; I370-L374 VanDerWaalsContact O-CB 3.25Å; I370-L374 WeakPolarHBondContact O-CB 3.27Å; I370-L374 PolarHBondContact O-N 3.3Å; I370-L401 HydrophobicContact CG2-CD1 3.69Å; I370-M405 HydrophobicContact CD1-CG 4.43Å; I370-M405 HydrophobicContact CD1-SD 3.31Å; I370-M405 WeakPolarHBondContact CD1-SD 3.39Å; I370-M405 HydrophobicContact CG1-CG 4.27Å; I370-M405 HydrophobicContact CG1-SD 3.76Å; I370-M405 HydrophobicContact CG2-CG 4.48Å; I370-M405 HydrophobicContact CG2-SD 4.15Å; I370-A408 HydrophobicContact CD1-CB 3.73Å; I370-A408 HydrophobicContact CG1-CB 3.79Å |
| 371 | T | 89.6 | Confident | 84.8 | Confident | 29 Ų | 29 | 31.8 Ų | 31.8 | 18% | 0.178 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -71.3 | -37 | -170.8 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | L346 L367 H368 L375 | L346-T371 PolarHBondContact O-OG1 3.13Å; L367-T371 HydrophobicContact CD1-CG2 3.94Å; L367-T371 HydrophobicContact CG-CG2 3.87Å; L367-T371 PolarHBondContact O-N 3.43Å; L367-T371 PolarHBondContact O-OG1 3.21Å; H368-T371 WeakPolarHBondContact CA-OG1 3.42Å; T371-L375 VanDerWaalsContact O-CB 3.24Å; T371-L375 WeakPolarHBondContact O-CB 3.46Å; T371-L375 PolarHBondContact O-N 2.87Å |
| 372 | A | 88.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -72.9 | -49 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | C347 H368 L374 L375 C376 L430 V434 | C347-A372 WeakPolarHBondContact O-CB 3.29Å; H368-A372 WeakPolarHBondContact O-CB 3.33Å; H368-A372 PolarHBondContact O-N 3.48Å; A372-L374 VanDerWaalsContact C-N 3.33Å; A372-L374 PolarHBondContact O-N 3.33Å; A372-L375 PolarHBondContact O-N 2.89Å; A372-C376 PolarHBondContact O-N 2.91Å; A372-C376 PolarHBondContact O-SG 3.48Å; A372-C376 VanDerWaalsContact O-SG 3.39Å; A372-L430 HydrophobicContact CB-CD1 4.43Å; A372-L430 HydrophobicContact CB-CD2 4.3Å; A372-L430 HydrophobicContact CB-CG 4.29Å; A372-V434 HydrophobicContact CB-CB 4.43Å; A372-V434 HydrophobicContact CB-CG1 4.22Å; A372-V434 HydrophobicContact CB-CG2 3.55Å |
| 373 | P | 88.2 | Confident | 83.5 | Confident | 37 Ų | 37 | 27.8 Ų | 27.8 | 24% | 0.24 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.2 | -37.3 | 174.8 | -22.4 | 35.2 | 0 | 0 | 0 | 113 | H368 L369 C376 V377 I400 | H368-P373 WeakPolarHBondContact O-CD 3.44Å; L369-P373 WeakPolarHBondContact O-CD 3.42Å; L369-P373 WeakPolarHBondContact O-CG 3.48Å; P373-C376 PolarHBondContact O-N 3.26Å; P373-V377 PolarHBondContact O-N 2.94Å; P373-V377 VanDerWaalsContact O-N 3.14Å; P373-I400 HydrophobicContact CB-CG2 3.59Å |
| 374 | L | 87.3 | Confident | 82.8 | Confident | 36 Ų | 36 | 30 Ų | 30 | 19% | 0.188 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.7 | -45.7 | 176.3 | -177.4 | 67.7 | 0 | 0 | 0 | 111.2 | I370 A372 C376 V377 L378 W397 L401 | I370-L374 VanDerWaalsContact O-CB 3.25Å; I370-L374 WeakPolarHBondContact O-CB 3.27Å; I370-L374 PolarHBondContact O-N 3.3Å; A372-L374 VanDerWaalsContact C-N 3.33Å; A372-L374 PolarHBondContact O-N 3.33Å; L374-C376 VanDerWaalsContact C-N 3.34Å; L374-C376 PolarHBondContact O-N 3.45Å; L374-V377 PolarHBondContact O-N 3.44Å; L374-L378 HydrophobicContact CD1-CD1 4.1Å; L374-L378 HydrophobicContact CD1-CG 4.34Å; L374-L378 HydrophobicContact CD2-CD1 4.49Å; L374-L378 HydrophobicContact CG-CD1 3.9Å; L374-L378 HydrophobicContact CG-CG 4.44Å; L374-L378 WeakPolarHBondContact O-CB 3.14Å; L374-L378 WeakPolarHBondContact O-CG 3.23Å; L374-L378 PolarHBondContact O-N 2.89Å; L374-W397 HydrophobicContact CD1-CB 4.05Å; L374-W397 HydrophobicContact CD1-CE3 4.44Å; L374-L401 HydrophobicContact CD2-CD1 4.04Å |
| 375 | L | 87.9 | Confident | 82 | Confident | 38 Ų | 38 | 34.6 Ų | 34.6 | 20% | 0.199 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.7 | -47.3 | 175.3 | -173.1 | 80.6 | 0 | 0 | 0 | 110.5 | C347 T371 A372 V377 L378 V379 V434 | C347-L375 HydrophobicContact CB-CD2 4Å; T371-L375 VanDerWaalsContact O-CB 3.24Å; T371-L375 WeakPolarHBondContact O-CB 3.46Å; T371-L375 PolarHBondContact O-N 2.87Å; A372-L375 PolarHBondContact O-N 2.89Å; L375-V377 VanDerWaalsContact C-N 3.29Å; L375-V377 PolarHBondContact O-N 3.14Å; L375-L378 PolarHBondContact O-N 3.2Å; L375-V379 HydrophobicContact CD1-CG2 3.63Å; L375-V379 HydrophobicContact CG-CB 4.48Å; L375-V379 HydrophobicContact CG-CG2 3.83Å; L375-V379 WeakPolarHBondContact O-CB 3.42Å; L375-V379 VanDerWaalsContact O-CG2 3.29Å; L375-V379 WeakPolarHBondContact O-CG2 3.12Å; L375-V379 PolarHBondContact O-N 3.23Å; L375-V434 HydrophobicContact CD2-CG1 3.87Å |
| 376 | C | 84.9 | Confident | 81 | Confident | 23 Ų | 23 | 35.3 Ų | 35.3 | 16% | 0.155 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54.2 | -46.4 | 178 | -72.7 | 0 | 0 | 0 | 0 | 111.4 | A372 P373 L374 V379 F380 V434 | A372-C376 PolarHBondContact O-N 2.91Å; A372-C376 PolarHBondContact O-SG 3.48Å; A372-C376 VanDerWaalsContact O-SG 3.39Å; P373-C376 PolarHBondContact O-N 3.26Å; L374-C376 VanDerWaalsContact C-N 3.34Å; L374-C376 PolarHBondContact O-N 3.45Å; C376-V379 PolarHBondContact O-N 3.47Å; C376-F380 WeakPolarHBondContact O-CB 3.38Å; C376-F380 PolarHBondContact O-N 3.41Å; C376-V434 VanDerWaalsContact SG-CG2 3.58Å |
| 377 | V | 83.9 | Confident | 80.2 | Confident | 25 Ų | 25 | 37.9 Ų | 37.9 | 15% | 0.152 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.4 | -36.2 | -178.7 | 171.8 | 0 | 0 | 0 | 0 | 113.6 | P373 L374 L375 V379 V396 W397 I400 | P373-V377 PolarHBondContact O-N 2.94Å; P373-V377 VanDerWaalsContact O-N 3.14Å; L374-V377 PolarHBondContact O-N 3.44Å; L375-V377 VanDerWaalsContact C-N 3.29Å; L375-V377 PolarHBondContact O-N 3.14Å; V377-V379 VanDerWaalsContact C-N 3.34Å; V377-V396 HydrophobicContact CG1-CG1 4.25Å; V377-W397 HydrophobicContact CG1-CB 4.41Å; V377-I400 HydrophobicContact CB-CD1 4.09Å; V377-I400 HydrophobicContact CG1-CD1 4.25Å; V377-I400 HydrophobicContact CG2-CD1 3.15Å |
| 378 | L | 82.8 | Confident | 79.7 | Confident | 72 Ų | 72 | 38.1 Ų | 38.1 | 38% | 0.377 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -75.1 | -26.3 | 177.6 | -67.2 | 177.6 | 0 | 0 | 0 | 112.7 | L374 L375 G383 W397 | L374-L378 HydrophobicContact CD1-CD1 4.1Å; L374-L378 HydrophobicContact CD1-CG 4.34Å; L374-L378 HydrophobicContact CD2-CD1 4.49Å; L374-L378 HydrophobicContact CG-CD1 3.9Å; L374-L378 HydrophobicContact CG-CG 4.44Å; L374-L378 WeakPolarHBondContact O-CB 3.14Å; L374-L378 WeakPolarHBondContact O-CG 3.23Å; L374-L378 PolarHBondContact O-N 2.89Å; L375-L378 PolarHBondContact O-N 3.2Å; L378-G383 VanDerWaalsContact O-CA 3.25Å; L378-G383 WeakPolarHBondContact O-CA 3.39Å; L378-W397 HydrophobicContact CD2-CB 4.14Å; L378-W397 HydrophobicContact CD2-CG 4.5Å |
| 379 | V | 81.6 | Confident | 79.2 | Confident | 22 Ų | 22 | 43.4 Ų | 43.4 | 13% | 0.133 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -102.1 | -27.8 | -172.3 | 175.2 | 0 | 0 | 0 | 0 | 112.8 | F78 L375 C376 V377 Q381 S382 V437 A441 | F78-V379 HydrophobicContact CE2-CG1 4.4Å; F78-V379 HydrophobicContact CZ-CB 4.34Å; F78-V379 HydrophobicContact CZ-CG1 4.14Å; F78-V379 WeakPolarHBondContact CZ-O 3.29Å; L375-V379 HydrophobicContact CD1-CG2 3.63Å; L375-V379 HydrophobicContact CG-CB 4.48Å; L375-V379 HydrophobicContact CG-CG2 3.83Å; L375-V379 WeakPolarHBondContact O-CB 3.42Å; L375-V379 VanDerWaalsContact O-CG2 3.29Å; L375-V379 WeakPolarHBondContact O-CG2 3.12Å; L375-V379 PolarHBondContact O-N 3.23Å; C376-V379 PolarHBondContact O-N 3.47Å; V377-V379 VanDerWaalsContact C-N 3.34Å; V379-Q381 PolarHBondContact O-N 3.09Å; V379-S382 PolarHBondContact O-N 3.06Å; V379-V437 HydrophobicContact CG1-CG1 4.31Å; V379-A441 HydrophobicContact CG1-CB 3.21Å |
| 380 | F | 74.8 | Confident | 78.8 | Confident | 36 Ų | 36 | 45.7 Ų | 45.7 | 16% | 0.158 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -64.2 | 135.3 | -175.9 | -170.1 | -105.5 | 0 | 0 | 0 | 111.9 | F6 F153 C376 S382 G383 Y385 V437 | F6-F380 HydrophobicContact CE2-CE1 4.18Å; F6-F380 HydrophobicContact CE2-CZ 4.07Å; F153-F380 HydrophobicContact CD2-CZ 4.46Å; F153-F380 HydrophobicContact CE2-CZ 4.46Å; C376-F380 WeakPolarHBondContact O-CB 3.38Å; C376-F380 PolarHBondContact O-N 3.41Å; F380-S382 VanDerWaalsContact C-N 3.31Å; F380-S382 PolarHBondContact O-N 2.77Å; F380-G383 PolarHBondContact O-N 3.4Å; F380-Y385 AromaticContact CD1-CD2 3.65Å; F380-Y385 HydrophobicContact CD1-CD2 3.65Å; F380-Y385 AromaticContact CD1-CE2 3.55Å; F380-Y385 HydrophobicContact CD1-CE2 3.55Å; F380-Y385 HydrophobicContact CE1-CD2 4.39Å; F380-Y385 AromaticContact CE1-CE2 3.83Å; F380-Y385 HydrophobicContact CE1-CE2 3.83Å; F380-V437 HydrophobicContact CB-CG1 4.4Å; F380-V437 HydrophobicContact CD2-CG1 4.25Å; F380-V437 HydrophobicContact CD2-CG2 4.17Å |
| 381 | Q | 69.8 | Low | 78.2 | Confident | 73 Ų | 73 | 53.7 Ų | 53.7 | 34% | 0.341 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | 50.7 | 50.3 | -176.3 | -71.6 | -75.2 | -13.9 | 0 | 0 | 111.8 | V379 G383 A384 Y385 | V379-Q381 PolarHBondContact O-N 3.09Å; Q381-G383 PolarHBondContact O-N 3.3Å; Q381-A384 HydrophobicContact CB-CB 4.18Å; Q381-A384 VanDerWaalsContact O-CB 3.27Å; Q381-A384 WeakPolarHBondContact O-CB 3.4Å; Q381-A384 PolarHBondContact O-N 3.03Å; Q381-Y385 HydrophobicContact CB-CD2 4.17Å; Q381-Y385 HydrophobicContact CB-CE2 3.97Å; Q381-Y385 HydrophobicContact CG-CE2 4.02Å |
| 382 | S | 68.1 | Low | 77.6 | Confident | 22 Ų | 22 | 54.5 Ų | 54.5 | 15% | 0.154 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | 53.9 | 30.4 | 176.3 | -61.4 | 0 | 0 | 0 | 0 | 115.3 | D76 F78 V379 F380 | D76-S382 WeakPolarHBondContact O-CB 3.17Å; D76-S382 PolarHBondContact O-OG 2.91Å; F78-S382 WeakPolarHBondContact CE1-O 3.25Å; F78-S382 VanDerWaalsContact CZ-C 3.42Å; F78-S382 VanDerWaalsContact CZ-CA 3.47Å; V379-S382 PolarHBondContact O-N 3.06Å; F380-S382 VanDerWaalsContact C-N 3.31Å; F380-S382 PolarHBondContact O-N 2.77Å |
| 383 | G | 67.5 | Low | 77.2 | Confident | 23 Ų | 23 | 62.7 Ų | 62.7 | 24% | 0.237 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | 87.3 | 8.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L378 F380 Q381 Y385 G386 | L378-G383 VanDerWaalsContact O-CA 3.25Å; L378-G383 WeakPolarHBondContact O-CA 3.39Å; F380-G383 PolarHBondContact O-N 3.4Å; Q381-G383 PolarHBondContact O-N 3.3Å; G383-Y385 PolarHBondContact O-N 3.33Å; G383-G386 PolarHBondContact O-N 2.85Å |
| 384 | A | 67.8 | Low | 76.8 | Confident | 65 Ų | 65 | 64.6 Ų | 64.6 | 54% | 0.537 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -53.5 | -37.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q381 | Q381-A384 HydrophobicContact CB-CB 4.18Å; Q381-A384 VanDerWaalsContact O-CB 3.27Å; Q381-A384 WeakPolarHBondContact O-CB 3.4Å; Q381-A384 PolarHBondContact O-N 3.03Å |
| 385 | Y | 68.9 | Low | 76.7 | Confident | 105 Ų | 105 | 64.2 Ų | 64.2 | 41% | 0.412 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -81.3 | -13.1 | -179.7 | -68.9 | -87.3 | 0 | 0 | 0 | 114.3 | F380 Q381 G383 G387 V388 | F380-Y385 AromaticContact CD1-CD2 3.65Å; F380-Y385 HydrophobicContact CD1-CD2 3.65Å; F380-Y385 AromaticContact CD1-CE2 3.55Å; F380-Y385 HydrophobicContact CD1-CE2 3.55Å; F380-Y385 HydrophobicContact CE1-CD2 4.39Å; F380-Y385 AromaticContact CE1-CE2 3.83Å; F380-Y385 HydrophobicContact CE1-CE2 3.83Å; Q381-Y385 HydrophobicContact CB-CD2 4.17Å; Q381-Y385 HydrophobicContact CB-CE2 3.97Å; Q381-Y385 HydrophobicContact CG-CE2 4.02Å; G383-Y385 PolarHBondContact O-N 3.33Å; Y385-G387 VanDerWaalsContact C-N 3.27Å; Y385-G387 PolarHBondContact O-N 2.98Å; Y385-V388 HydrophobicContact CD1-CG2 4.24Å; Y385-V388 PolarHBondContact O-N 3.07Å |
| 386 | G | 66.1 | Low | 76.6 | Confident | 17 Ų | 17 | 64 Ų | 64 | 18% | 0.175 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -66.2 | -30.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G383 W397 | G383-G386 PolarHBondContact O-N 2.85Å; G386-W397 VanDerWaalsContact O-CD1 3.3Å |
| 387 | G | 68.9 | Low | 76.6 | Confident | 63 Ų | 63 | 67.6 Ų | 67.6 | 65% | 0.649 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -93.1 | -3.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y385 M389 | Y385-G387 VanDerWaalsContact C-N 3.27Å; Y385-G387 PolarHBondContact O-N 2.98Å; G387-M389 PolarHBondContact O-N 3.21Å |
| 388 | V | 77.8 | Confident | 76.7 | Confident | 60 Ų | 60 | 68.9 Ų | 68.9 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | trans | -72.2 | 123.2 | -175.4 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | Y385 V396 | Y385-V388 HydrophobicContact CD1-CG2 4.24Å; Y385-V388 PolarHBondContact O-N 3.07Å; V388-V396 HydrophobicContact CB-CG2 4.26Å; V388-V396 HydrophobicContact CG1-CG2 3.97Å; V388-V396 WeakPolarHBondContact O-CG2 3.44Å; V388-V396 PolarHBondContact O-N 3.02Å; V388-V396 VanDerWaalsContact O-N 3.13Å | ||
| 389 | M | 80.8 | Confident | 76.9 | Confident | 114 Ų | 114 | 69.5 Ų | 69.5 | 56% | 0.562 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 127.9 | 176 | -63.1 | -168.5 | -78 | 0 | 0 | 110.3 | G387 Q391 F394 | G387-M389 PolarHBondContact O-N 3.21Å; M389-Q391 PolarHBondContact O-N 3.47Å; M389-F394 CarbonylContact C-O 3.58Å; M389-F394 WeakPolarHBondContact CA-O 3.36Å |
| 390 | I | 78.9 | Confident | 77.2 | Confident | 73 Ų | 73 | 70.2 Ų | 70.2 | 37% | 0.374 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 116.9 | 170.5 | -55.8 | 177.2 | 0 | 0 | 0 | 107.1 | G392 E393 F394 V396 L399 | I390-G392 PolarHBondContact O-N 3.02Å; I390-E393 PolarHBondContact O-N 3.03Å; I390-F394 HydrophobicContact CB-CB 4.49Å; I390-F394 HydrophobicContact CD1-CD1 4.5Å; I390-F394 PolarHBondContact N-O 2.64Å; I390-F394 PolarHBondContact O-N 3.45Å; I390-V396 HydrophobicContact CD1-CG2 4.1Å; I390-V396 HydrophobicContact CG1-CG2 3.67Å; I390-L399 HydrophobicContact CD1-CD2 3.93Å |
| 391 | Q | 77.8 | Confident | 77.9 | Confident | 194 Ų | 194 | 70.9 Ų | 70.9 | 91% | 0.907 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 20.8 | -178 | -61.9 | 180 | -27 | 0 | 0 | 114.6 | M389 E393 | M389-Q391 PolarHBondContact O-N 3.47Å; Q391-E393 VanDerWaalsContact C-N 3.27Å; Q391-E393 PolarHBondContact O-N 2.85Å |
| 392 | G | 77.6 | Confident | 79 | Confident | 46 Ų | 46 | 72.1 Ų | 72.1 | 47% | 0.474 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | -4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116 | I390 | I390-G392 PolarHBondContact O-N 3.02Š|
| 393 | E | 79.4 | Confident | 80 | Confident | 173 Ų | 173 | 75.9 Ų | 75.9 | 81% | 0.808 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | -32.7 | -173.4 | -69.9 | -77.8 | 158.8 | 0 | 0 | 112.8 | I390 Q391 | I390-E393 PolarHBondContact O-N 3.03Å; Q391-E393 VanDerWaalsContact C-N 3.27Å; Q391-E393 PolarHBondContact O-N 2.85Å |
| 394 | F | 80.9 | Confident | 81.1 | Confident | 76 Ų | 76 | 75 Ų | 75 | 33% | 0.333 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 117.3 | -171.4 | -163.1 | -103.8 | 0 | 0 | 0 | 113.5 | M389 I390 L398 L399 L402 | M389-F394 CarbonylContact C-O 3.58Å; M389-F394 WeakPolarHBondContact CA-O 3.36Å; I390-F394 HydrophobicContact CB-CB 4.49Å; I390-F394 HydrophobicContact CD1-CD1 4.5Å; I390-F394 PolarHBondContact N-O 2.64Å; I390-F394 PolarHBondContact O-N 3.45Å; F394-L398 HydrophobicContact CE2-CD2 3.68Å; F394-L398 HydrophobicContact CE2-CG 4.24Å; F394-L398 HydrophobicContact CZ-CB 4.19Å; F394-L398 HydrophobicContact CZ-CD2 3.87Å; F394-L398 HydrophobicContact CZ-CG 3.89Å; F394-L399 HydrophobicContact CD1-CB 4.33Å; F394-L399 HydrophobicContact CE1-CB 3.64Å; F394-L399 HydrophobicContact CE1-CD1 3.96Å; F394-L399 HydrophobicContact CE1-CG 4.34Å; F394-L402 HydrophobicContact CZ-CD1 4.29Å |
| 395 | P | 85.3 | Confident | 82.2 | Confident | 29 Ų | 29 | 76.7 Ų | 76.7 | 19% | 0.188 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 135.2 | -179.3 | 25.4 | -29.5 | 0 | 0 | 0 | 112.3 | W397 L398 L399 | P395-W397 VanDerWaalsContact C-N 3.31Å; P395-W397 HydrophobicContact CB-CG 4.39Å; P395-W397 VanDerWaalsContact CB-NE1 3.33Å; P395-W397 HydrophobicContact CG-CZ2 4.36Å; P395-W397 PolarHBondContact O-N 3.07Å; P395-L398 HydrophobicContact CG-CB 3.83Å; P395-L398 HydrophobicContact CG-CD2 4.24Å; P395-L398 PolarHBondContact O-N 3.49Å; P395-L398 VanDerWaalsContact O-N 3.17Å; P395-L399 PolarHBondContact O-N 2.69Å |
| 396 | V | 84.6 | Confident | 83.3 | Confident | 33 Ų | 33 | 77.9 Ų | 77.9 | 20% | 0.2 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -60.7 | -38.1 | -178 | 174.9 | 0 | 0 | 0 | 0 | 112.3 | V377 V388 I390 L398 L399 I400 | V377-V396 HydrophobicContact CG1-CG1 4.25Å; V388-V396 HydrophobicContact CB-CG2 4.26Å; V388-V396 HydrophobicContact CG1-CG2 3.97Å; V388-V396 WeakPolarHBondContact O-CG2 3.44Å; V388-V396 PolarHBondContact O-N 3.02Å; V388-V396 VanDerWaalsContact O-N 3.13Å; I390-V396 HydrophobicContact CD1-CG2 4.1Å; I390-V396 HydrophobicContact CG1-CG2 3.67Å; V396-L398 PolarHBondContact O-N 2.72Å; V396-L399 WeakPolarHBondContact O-CB 3.3Å; V396-L399 PolarHBondContact O-N 3.17Å; V396-I400 HydrophobicContact CG1-CD1 3.77Å; V396-I400 HydrophobicContact CG1-CG1 4.48Å; V396-I400 WeakPolarHBondContact O-CG1 3.46Å; V396-I400 PolarHBondContact O-N 3.28Å |
| 397 | W | 85.3 | Confident | 84.4 | Confident | 99 Ų | 99 | 80.9 Ų | 80.9 | 38% | 0.375 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.6 | -33.5 | 179.6 | 66.6 | -97.5 | 0 | 0 | 0 | 112.5 | L374 V377 L378 G386 P395 I400 L401 | L374-W397 HydrophobicContact CD1-CB 4.05Å; L374-W397 HydrophobicContact CD1-CE3 4.44Å; V377-W397 HydrophobicContact CG1-CB 4.41Å; L378-W397 HydrophobicContact CD2-CB 4.14Å; L378-W397 HydrophobicContact CD2-CG 4.5Å; G386-W397 VanDerWaalsContact O-CD1 3.3Å; P395-W397 VanDerWaalsContact C-N 3.31Å; P395-W397 HydrophobicContact CB-CG 4.39Å; P395-W397 VanDerWaalsContact CB-NE1 3.33Å; P395-W397 HydrophobicContact CG-CZ2 4.36Å; P395-W397 PolarHBondContact O-N 3.07Å; W397-I400 PolarHBondContact O-N 3.26Å; W397-L401 HydrophobicContact CZ3-CD2 4.48Å; W397-L401 WeakPolarHBondContact O-CB 3.49Å; W397-L401 PolarHBondContact O-N 3.42Å |
| 398 | L | 86.4 | Confident | 85.4 | Confident | 52 Ų | 52 | 78.2 Ų | 78.2 | 27% | 0.272 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -71.6 | -38.6 | 177.9 | -176.5 | 61.9 | 0 | 0 | 0 | 111.3 | F394 P395 V396 I400 L401 L402 | F394-L398 HydrophobicContact CE2-CD2 3.68Å; F394-L398 HydrophobicContact CE2-CG 4.24Å; F394-L398 HydrophobicContact CZ-CB 4.19Å; F394-L398 HydrophobicContact CZ-CD2 3.87Å; F394-L398 HydrophobicContact CZ-CG 3.89Å; P395-L398 HydrophobicContact CG-CB 3.83Å; P395-L398 HydrophobicContact CG-CD2 4.24Å; P395-L398 PolarHBondContact O-N 3.49Å; P395-L398 VanDerWaalsContact O-N 3.17Å; V396-L398 PolarHBondContact O-N 2.72Å; L398-I400 VanDerWaalsContact C-N 3.28Å; L398-I400 PolarHBondContact O-N 3.44Å; L398-L401 HydrophobicContact CD1-CD2 4.22Å; L398-L401 PolarHBondContact O-N 2.92Å; L398-L402 HydrophobicContact CG-CD1 4.5Å; L398-L402 WeakPolarHBondContact O-CG 3.2Å; L398-L402 PolarHBondContact O-N 3.09Å |
| 399 | L | 87.4 | Confident | 86 | Confident | 85 Ų | 85 | 77.8 Ų | 77.8 | 45% | 0.445 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -56 | -48 | 173.7 | -170 | 58.7 | 0 | 0 | 0 | 111.1 | I390 F394 P395 V396 L402 L403 | I390-L399 HydrophobicContact CD1-CD2 3.93Å; F394-L399 HydrophobicContact CD1-CB 4.33Å; F394-L399 HydrophobicContact CE1-CB 3.64Å; F394-L399 HydrophobicContact CE1-CD1 3.96Å; F394-L399 HydrophobicContact CE1-CG 4.34Å; P395-L399 PolarHBondContact O-N 2.69Å; V396-L399 WeakPolarHBondContact O-CB 3.3Å; V396-L399 PolarHBondContact O-N 3.17Å; L399-L402 PolarHBondContact O-N 3.04Å; L399-L403 WeakPolarHBondContact O-CB 3.46Å; L399-L403 PolarHBondContact O-N 3.11Å |
| 400 | I | 87.6 | Confident | 86.3 | Confident | 37 Ų | 37 | 75.8 Ų | 75.8 | 19% | 0.19 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -71.1 | -36.7 | -175 | -67 | 172.6 | 0 | 0 | 0 | 110.5 | P373 V377 V396 W397 L398 L403 G404 | P373-I400 HydrophobicContact CB-CG2 3.59Å; V377-I400 HydrophobicContact CB-CD1 4.09Å; V377-I400 HydrophobicContact CG1-CD1 4.25Å; V377-I400 HydrophobicContact CG2-CD1 3.15Å; V396-I400 HydrophobicContact CG1-CD1 3.77Å; V396-I400 HydrophobicContact CG1-CG1 4.48Å; V396-I400 WeakPolarHBondContact O-CG1 3.46Å; V396-I400 PolarHBondContact O-N 3.28Å; W397-I400 PolarHBondContact O-N 3.26Å; L398-I400 VanDerWaalsContact C-N 3.28Å; L398-I400 PolarHBondContact O-N 3.44Å; I400-L403 PolarHBondContact O-N 3.08Å; I400-G404 PolarHBondContact O-N 3.49Å |
| 401 | L | 89.9 | Confident | 86.7 | Confident | 49 Ų | 49 | 73 Ų | 73 | 26% | 0.257 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.5 | -49.2 | 171 | -176.6 | 74.8 | 0 | 0 | 0 | 111.2 | I370 L374 W397 L398 G404 M405 | I370-L401 HydrophobicContact CG2-CD1 3.69Å; L374-L401 HydrophobicContact CD2-CD1 4.04Å; W397-L401 HydrophobicContact CZ3-CD2 4.48Å; W397-L401 WeakPolarHBondContact O-CB 3.49Å; W397-L401 PolarHBondContact O-N 3.42Å; L398-L401 HydrophobicContact CD1-CD2 4.22Å; L398-L401 PolarHBondContact O-N 2.92Å; L401-G404 PolarHBondContact O-N 3.31Å; L401-M405 WeakPolarHBondContact O-CB 3.45Å; L401-M405 WeakPolarHBondContact O-CG 3.32Å; L401-M405 PolarHBondContact O-N 3.02Å |
| 402 | L | 91.1 | Very high | 87.1 | Confident | 100 Ų | 100 | 67.7 Ų | 67.7 | 52% | 0.524 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | -179.7 | -68.3 | 174 | 0 | 0 | 0 | 112 | F394 L398 L399 M405 F406 | F394-L402 HydrophobicContact CZ-CD1 4.29Å; L398-L402 HydrophobicContact CG-CD1 4.5Å; L398-L402 WeakPolarHBondContact O-CG 3.2Å; L398-L402 PolarHBondContact O-N 3.09Å; L399-L402 PolarHBondContact O-N 3.04Å; L402-M405 PolarHBondContact O-N 2.65Å; L402-F406 PolarHBondContact O-N 3.23Å |
| 403 | L | 90.8 | Very high | 87.5 | Confident | 101 Ų | 101 | 70.6 Ų | 70.6 | 53% | 0.529 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 176 | -177.3 | 63.8 | 0 | 0 | 0 | 111.6 | L399 I400 F406 L407 | L399-L403 WeakPolarHBondContact O-CB 3.46Å; L399-L403 PolarHBondContact O-N 3.11Å; I400-L403 PolarHBondContact O-N 3.08Å; L403-F406 PolarHBondContact O-N 2.77Å; L403-L407 HydrophobicContact CG-CD1 4.24Å; L403-L407 WeakPolarHBondContact O-CG 3.25Å; L403-L407 PolarHBondContact O-N 3.45Å |
| 404 | G | 89.8 | Confident | 87.7 | Confident | 4 Ų | 4 | 66.9 Ų | 66.9 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.4 | -43 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L369 I400 L401 F406 L407 A408 | L369-G404 VanDerWaalsContact O-CA 3.32Å; L369-G404 WeakPolarHBondContact O-CA 3.35Å; I400-G404 PolarHBondContact O-N 3.49Å; L401-G404 PolarHBondContact O-N 3.31Å; G404-F406 VanDerWaalsContact C-N 3.35Å; G404-F406 PolarHBondContact O-N 3.12Å; G404-L407 PolarHBondContact O-N 3.44Å; G404-A408 WeakPolarHBondContact O-CB 3.27Å; G404-A408 PolarHBondContact O-N 2.63Å |
| 405 | M | 91.3 | Very high | 87.9 | Confident | 100 Ų | 100 | 63.9 Ų | 63.9 | 49% | 0.493 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 174.5 | -72.7 | -68.1 | -62.8 | 0 | 0 | 111.9 | I370 L401 L402 A408 A409 | I370-M405 HydrophobicContact CD1-CG 4.43Å; I370-M405 HydrophobicContact CD1-SD 3.31Å; I370-M405 WeakPolarHBondContact CD1-SD 3.39Å; I370-M405 HydrophobicContact CG1-CG 4.27Å; I370-M405 HydrophobicContact CG1-SD 3.76Å; I370-M405 HydrophobicContact CG2-CG 4.48Å; I370-M405 HydrophobicContact CG2-SD 4.15Å; L401-M405 WeakPolarHBondContact O-CB 3.45Å; L401-M405 WeakPolarHBondContact O-CG 3.32Å; L401-M405 PolarHBondContact O-N 3.02Å; L402-M405 PolarHBondContact O-N 2.65Å; M405-A408 PolarHBondContact O-N 2.85Å; M405-A409 WeakPolarHBondContact O-CB 3.25Å; M405-A409 PolarHBondContact O-N 3.27Å |
| 406 | F | 91.6 | Very high | 87.7 | Confident | 131 Ų | 131 | 65.4 Ų | 65.4 | 58% | 0.575 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -64.3 | -47.8 | 176.8 | 178.9 | -106.2 | 0 | 0 | 0 | 111.9 | L402 L403 G404 A409 I410 | L402-F406 PolarHBondContact O-N 3.23Å; L403-F406 PolarHBondContact O-N 2.77Å; G404-F406 VanDerWaalsContact C-N 3.35Å; G404-F406 PolarHBondContact O-N 3.12Å; F406-A409 PolarHBondContact O-N 2.88Å; F406-I410 HydrophobicContact CD1-CD1 3.89Å; F406-I410 HydrophobicContact CE1-CD1 3.42Å; F406-I410 VanDerWaalsContact CE1-CD1 3.42Å; F406-I410 HydrophobicContact CE2-CD1 4.3Å; F406-I410 HydrophobicContact CZ-CD1 3.66Å; F406-I410 WeakPolarHBondContact O-CG1 3.49Å; F406-I410 PolarHBondContact O-N 3.41Å; F406-I410 VanDerWaalsContact O-N 3.08Å |
| 407 | L | 89.6 | Confident | 87.2 | Confident | 79 Ų | 79 | 66.1 Ų | 66.1 | 41% | 0.414 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 176.2 | -69.6 | 172.7 | 0 | 0 | 0 | 112 | L403 G404 A409 I410 V411 | L403-L407 HydrophobicContact CG-CD1 4.24Å; L403-L407 WeakPolarHBondContact O-CG 3.25Å; L403-L407 PolarHBondContact O-N 3.45Å; G404-L407 PolarHBondContact O-N 3.44Å; L407-A409 VanDerWaalsContact C-N 3.34Å; L407-A409 PolarHBondContact O-N 3.47Å; L407-I410 PolarHBondContact O-N 3.49Å; L407-V411 WeakPolarHBondContact O-CG2 3.25Å; L407-V411 PolarHBondContact O-N 2.66Å |
| 408 | A | 89.4 | Confident | 86.5 | Confident | 8 Ų | 8 | 68.3 Ų | 68.3 | 7% | 0.066 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S366 L369 I370 G404 M405 V411 F412 | S366-A408 VanDerWaalsContact O-CB 3.27Å; S366-A408 WeakPolarHBondContact O-CB 3.46Å; L369-A408 HydrophobicContact CB-CB 4.2Å; I370-A408 HydrophobicContact CD1-CB 3.73Å; I370-A408 HydrophobicContact CG1-CB 3.79Å; G404-A408 WeakPolarHBondContact O-CB 3.27Å; G404-A408 PolarHBondContact O-N 2.63Å; M405-A408 PolarHBondContact O-N 2.85Å; A408-V411 PolarHBondContact O-N 3.04Å; A408-F412 WeakPolarHBondContact O-CB 3.27Å; A408-F412 PolarHBondContact O-N 3.34Å |
| 409 | A | 89.8 | Confident | 86.1 | Confident | 51 Ų | 51 | 71.2 Ų | 71.2 | 42% | 0.421 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M405 F406 L407 F412 C413 | M405-A409 WeakPolarHBondContact O-CB 3.25Å; M405-A409 PolarHBondContact O-N 3.27Å; F406-A409 PolarHBondContact O-N 2.88Å; L407-A409 VanDerWaalsContact C-N 3.34Å; L407-A409 PolarHBondContact O-N 3.47Å; A409-F412 PolarHBondContact O-N 3.42Å; A409-C413 WeakPolarHBondContact O-CB 3.33Å; A409-C413 PolarHBondContact O-N 3.07Å; A409-C413 PolarHBondContact O-SG 3.43Å |
| 410 | I | 88.4 | Confident | 85.7 | Confident | 72 Ų | 72 | 69.4 Ų | 69.4 | 37% | 0.369 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.9 | -51.3 | 176.4 | -67.7 | 167.9 | 0 | 0 | 0 | 110.7 | F406 L407 F412 C413 T414 | F406-I410 HydrophobicContact CD1-CD1 3.89Å; F406-I410 HydrophobicContact CE1-CD1 3.42Å; F406-I410 VanDerWaalsContact CE1-CD1 3.42Å; F406-I410 HydrophobicContact CE2-CD1 4.3Å; F406-I410 HydrophobicContact CZ-CD1 3.66Å; F406-I410 WeakPolarHBondContact O-CG1 3.49Å; F406-I410 PolarHBondContact O-N 3.41Å; F406-I410 VanDerWaalsContact O-N 3.08Å; L407-I410 PolarHBondContact O-N 3.49Å; I410-F412 VanDerWaalsContact C-N 3.31Å; I410-F412 PolarHBondContact O-N 2.83Å; I410-C413 PolarHBondContact O-N 2.96Å; I410-T414 HydrophobicContact CG2-CG2 4.17Å; I410-T414 WeakPolarHBondContact O-CB 3.21Å; I410-T414 VanDerWaalsContact O-CG2 3.24Å; I410-T414 WeakPolarHBondContact O-CG2 3.41Å; I410-T414 PolarHBondContact O-N 2.9Å; I410-T414 PolarHBondContact O-OG1 2.93Å |
| 411 | V | 86.4 | Confident | 85.6 | Confident | 15 Ų | 15 | 68.6 Ų | 68.6 | 9% | 0.091 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.4 | -40.2 | -179.2 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | L369 L407 A408 C413 T414 T415 Y423 F427 | L369-V411 HydrophobicContact CD1-CB 3.8Å; L369-V411 HydrophobicContact CD1-CG1 4.24Å; L369-V411 HydrophobicContact CD1-CG2 3.61Å; L407-V411 WeakPolarHBondContact O-CG2 3.25Å; L407-V411 PolarHBondContact O-N 2.66Å; A408-V411 PolarHBondContact O-N 3.04Å; V411-C413 PolarHBondContact O-N 3.37Å; V411-T414 PolarHBondContact O-N 3.34Å; V411-T415 HydrophobicContact CG1-CG2 4.08Å; V411-T415 WeakPolarHBondContact O-CB 3.17Å; V411-T415 WeakPolarHBondContact O-CG2 3.2Å; V411-T415 PolarHBondContact O-N 3.14Å; V411-T415 VanDerWaalsContact O-N 3.12Å; V411-T415 PolarHBondContact O-OG1 3.17Å; V411-Y423 HydrophobicContact CG2-CE2 4.27Å; V411-F427 HydrophobicContact CG1-CZ 4.49Å |
| 412 | F | 86.4 | Confident | 85.2 | Confident | 81 Ų | 81 | 76.2 Ų | 76.2 | 36% | 0.355 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 175.5 | -165.1 | -96.2 | 0 | 0 | 0 | 110.9 | R362 A408 A409 I410 | R362-F412 HydrophobicContact CG-CD2 4.23Å; R362-F412 HydrophobicContact CG-CE2 4.48Å; R362-F412 PolarHBondContact NE-O 2.8Å; R362-F412 PolarHBondContact NH2-O 2.89Å; A408-F412 WeakPolarHBondContact O-CB 3.27Å; A408-F412 PolarHBondContact O-N 3.34Å; A409-F412 PolarHBondContact O-N 3.42Å; I410-F412 VanDerWaalsContact C-N 3.31Å; I410-F412 PolarHBondContact O-N 2.83Å |
| 413 | C | 85.9 | Confident | 84.8 | Confident | 107 Ų | 107 | 75.4 Ų | 75.4 | 72% | 0.723 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -72.9 | -28.2 | -179.4 | -69.6 | 0 | 0 | 0 | 0 | 114.4 | A409 I410 V411 | A409-C413 WeakPolarHBondContact O-CB 3.33Å; A409-C413 PolarHBondContact O-N 3.07Å; A409-C413 PolarHBondContact O-SG 3.43Å; I410-C413 PolarHBondContact O-N 2.96Å; V411-C413 PolarHBondContact O-N 3.37Å |
| 414 | T | 84.2 | Confident | 84.5 | Confident | 96 Ų | 96 | 70.6 Ų | 70.6 | 59% | 0.589 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -94 | -14.9 | -173.8 | 55.9 | 0 | 0 | 0 | 0 | 114.5 | I410 V411 | I410-T414 HydrophobicContact CG2-CG2 4.17Å; I410-T414 WeakPolarHBondContact O-CB 3.21Å; I410-T414 VanDerWaalsContact O-CG2 3.24Å; I410-T414 WeakPolarHBondContact O-CG2 3.41Å; I410-T414 PolarHBondContact O-N 2.9Å; I410-T414 PolarHBondContact O-OG1 2.93Å; V411-T414 PolarHBondContact O-N 3.34Å |
| 415 | T | 85.1 | Confident | 84.2 | Confident | 12 Ų | 12 | 72.1 Ų | 72.1 | 7% | 0.074 | 38% | 0.381 | C | S | . | . | trans | -112.3 | 155.5 | -174.3 | 63.9 | 0 | 0 | 0 | 0 | 113.6 | W360 R362 V411 P421 Y423 | W360-T415 HydrophobicContact CH2-CG2 4.39Å; W360-T415 HydrophobicContact CZ2-CG2 4.24Å; R362-T415 WeakPolarHBondContact CD-O 3.31Å; R362-T415 PolarHBondContact NE-O 2.9Å; R362-T415 VanDerWaalsContact NE-O 3.11Å; V411-T415 HydrophobicContact CG1-CG2 4.08Å; V411-T415 WeakPolarHBondContact O-CB 3.17Å; V411-T415 WeakPolarHBondContact O-CG2 3.2Å; V411-T415 PolarHBondContact O-N 3.14Å; V411-T415 VanDerWaalsContact O-N 3.12Å; V411-T415 PolarHBondContact O-OG1 3.17Å; T415-P421 HydrophobicContact CG2-CB 4.14Å; T415-P421 HydrophobicContact CG2-CG 4.19Å; T415-Y423 WeakPolarHBondContact CG2-OH 3.35Å | ||
| 416 | T | 80.9 | Confident | 84 | Confident | 62 Ų | 62 | 73.1 Ų | 73.1 | 38% | 0.38 | 39% | 0.388 | S | S | . | . | trans | -109.7 | 163.1 | 175.4 | 46.9 | 0 | 0 | 0 | 0 | 111.3 | W360 H419 | W360-T416 PolarHBondContact NE1-O 2.8Å; T416-H419 PolarHBondContact OG1-CE1 2.94Å; T416-H419 PolarHBondContact OG1-ND1 3.17Å; T416-H419 PolarHBondContact OG1-NE2 3.21Å | ||
| 417 | N | 75 | Confident | 83.8 | Confident | 48 Ų | 48 | 67.2 Ų | 67.2 | 26% | 0.257 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -76.4 | -24.4 | -179.1 | -68.2 | -29.8 | 0 | 0 | 0 | 113.1 | R362 | R362-N417 WeakPolarHBondContact CB-OD1 3.41Å; R362-N417 WeakPolarHBondContact CD-OD1 3.25Å |
| 418 | D | 70.1 | Confident | 83.7 | Confident | 144 Ų | 144 | 63.4 Ų | 63.4 | 77% | 0.77 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -86.7 | -17.1 | -164.2 | -49.8 | -58.1 | 0 | 0 | 0 | 114.6 | ||
| 419 | H | 76.7 | Confident | 83.6 | Confident | 114 Ų | 114 | 66.7 Ų | 66.7 | 53% | 0.528 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -145.5 | 141.7 | 179.2 | 60.4 | -87.6 | 0 | 0 | 0 | 112.1 | W360 T416 | W360-H419 PolarHBondContact NE1-O 3.38Å; T416-H419 PolarHBondContact OG1-CE1 2.94Å; T416-H419 PolarHBondContact OG1-ND1 3.17Å; T416-H419 PolarHBondContact OG1-NE2 3.21Å |
| 420 | P | 80.7 | Confident | 83.6 | Confident | 46 Ų | 46 | 66.1 Ų | 66.1 | 30% | 0.299 | 34% | 0.344 | S | S | . | . | trans | -67.6 | 140.3 | 175.5 | 26.1 | -32.5 | 0 | 0 | 0 | 111.2 | W360 H424 | W360-P420 HydrophobicContact CB-CB 4.11Å; W360-P420 HydrophobicContact CD2-CB 4.41Å; W360-P420 HydrophobicContact CG-CB 4.18Å; P420-H424 HydrophobicContact CB-CB 4.05Å | ||
| 421 | P | 83.7 | Confident | 83.7 | Confident | 20 Ų | 20 | 62.7 Ų | 62.7 | 13% | 0.13 | 33% | 0.327 | C | S | . | . | trans | -69.4 | 160.1 | 174.9 | 29.3 | -34.8 | 0 | 0 | 0 | 111.6 | W360 T415 Y423 H424 | W360-P421 HydrophobicContact CE3-CG 4.41Å; W360-P421 VanDerWaalsContact CH2-CD 3.43Å; W360-P421 HydrophobicContact CH2-CG 3.59Å; W360-P421 HydrophobicContact CZ2-CG 4.1Å; W360-P421 VanDerWaalsContact CZ3-CD 3.46Å; W360-P421 HydrophobicContact CZ3-CG 3.75Å; T415-P421 HydrophobicContact CG2-CB 4.14Å; T415-P421 HydrophobicContact CG2-CG 4.19Å; P421-Y423 HydrophobicContact CB-CD1 4.06Å; P421-Y423 HydrophobicContact CB-CD2 4.25Å; P421-Y423 HydrophobicContact CB-CE1 3.71Å; P421-Y423 HydrophobicContact CB-CE2 3.9Å; P421-Y423 HydrophobicContact CB-CG 4.32Å; P421-Y423 HydrophobicContact CG-CD2 4.01Å; P421-Y423 HydrophobicContact CG-CE1 4.38Å; P421-Y423 HydrophobicContact CG-CE2 3.63Å; P421-Y423 PolarHBondContact O-N 3.42Å; P421-Y423 VanDerWaalsContact O-N 3.14Å; P421-H424 HydrophobicContact CG-CB 4.36Å; P421-H424 WeakPolarHBondContact O-CB 3.42Å; P421-H424 PolarHBondContact O-N 3.46Å | ||
| 422 | K | 82.6 | Confident | 83.7 | Confident | 209 Ų | 209 | 62.3 Ų | 62.3 | 91% | 0.909 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -31.2 | 179 | -67.4 | -176.2 | 179.9 | 179.3 | 0 | 113.5 | H424 P425 | K422-H424 VanDerWaalsContact C-N 3.3Å; K422-P425 WeakPolarHBondContact O-CD 3.13Å |
| 423 | Y | 83.5 | Confident | 83.7 | Confident | 83 Ų | 83 | 61 Ų | 61 | 33% | 0.325 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 8.2 | 178.4 | 56.1 | -101.1 | 0 | 0 | 0 | 113.7 | V411 T415 P421 P425 L426 F427 | V411-Y423 HydrophobicContact CG2-CE2 4.27Å; T415-Y423 WeakPolarHBondContact CG2-OH 3.35Å; P421-Y423 HydrophobicContact CB-CD1 4.06Å; P421-Y423 HydrophobicContact CB-CD2 4.25Å; P421-Y423 HydrophobicContact CB-CE1 3.71Å; P421-Y423 HydrophobicContact CB-CE2 3.9Å; P421-Y423 HydrophobicContact CB-CG 4.32Å; P421-Y423 HydrophobicContact CG-CD2 4.01Å; P421-Y423 HydrophobicContact CG-CE1 4.38Å; P421-Y423 HydrophobicContact CG-CE2 3.63Å; P421-Y423 PolarHBondContact O-N 3.42Å; P421-Y423 VanDerWaalsContact O-N 3.14Å; Y423-P425 VanDerWaalsContact C-N 3.25Å; Y423-L426 VanDerWaalsContact O-CB 3.29Å; Y423-L426 WeakPolarHBondContact O-CB 3.44Å; Y423-L426 PolarHBondContact O-N 3.42Å; Y423-F427 HydrophobicContact CD2-CE2 4.12Å; Y423-F427 HydrophobicContact CE2-CE2 4.08Å |
| 424 | H | 83.1 | Confident | 83.8 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -50.3 | -36.6 | 175.3 | -170.7 | 51.6 | 0 | 0 | 0 | 114.2 | R358 W360 P420 P421 K422 L426 F427 | R358-H424 PolarHBondContact O-NE2 2.84Å; W360-H424 AromaticContact CE3-CE1 3.61Å; W360-H424 AromaticContact CE3-ND1 3.32Å; W360-H424 VanDerWaalsContact CE3-ND1 3.32Å; W360-H424 AromaticContact CZ3-ND1 3.67Å; P420-H424 HydrophobicContact CB-CB 4.05Å; P421-H424 HydrophobicContact CG-CB 4.36Å; P421-H424 WeakPolarHBondContact O-CB 3.42Å; P421-H424 PolarHBondContact O-N 3.46Å; K422-H424 VanDerWaalsContact C-N 3.3Å; H424-L426 PolarHBondContact O-N 2.99Å; H424-L426 VanDerWaalsContact O-N 3.13Å; H424-F427 WeakPolarHBondContact O-CB 3.43Å; H424-F427 PolarHBondContact O-N 3.41Å |
| 425 | P | 83.8 | Confident | 84 | Confident | 36 Ų | 36 | 51.3 Ų | 51.3 | 23% | 0.234 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.7 | -23 | 174.9 | -25.2 | 35.8 | 0 | 0 | 0 | 114.8 | T130 K422 Y423 F427 A428 F429 | T130-P425 HydrophobicContact CG2-CB 3.89Å; T130-P425 HydrophobicContact CG2-CG 4.27Å; K422-P425 WeakPolarHBondContact O-CD 3.13Å; Y423-P425 VanDerWaalsContact C-N 3.25Å; P425-F427 VanDerWaalsContact C-N 3.25Å; P425-F427 PolarHBondContact O-N 2.93Å; P425-A428 VanDerWaalsContact O-CB 3.22Å; P425-A428 WeakPolarHBondContact O-CB 3.27Å; P425-A428 PolarHBondContact O-N 3.08Å; P425-A428 VanDerWaalsContact O-N 3.08Å; P425-F429 PolarHBondContact O-N 3Å |
| 426 | L | 86.8 | Confident | 84 | Confident | 120 Ų | 120 | 51.2 Ų | 51.2 | 63% | 0.628 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -65.5 | -29.8 | 174.5 | -63.1 | 179.7 | 0 | 0 | 0 | 112.1 | Y423 H424 A428 F429 L430 | Y423-L426 VanDerWaalsContact O-CB 3.29Å; Y423-L426 WeakPolarHBondContact O-CB 3.44Å; Y423-L426 PolarHBondContact O-N 3.42Å; H424-L426 PolarHBondContact O-N 2.99Å; H424-L426 VanDerWaalsContact O-N 3.13Å; L426-A428 VanDerWaalsContact C-N 3.26Å; L426-A428 PolarHBondContact O-N 3.39Å; L426-F429 PolarHBondContact O-N 3.06Å; L426-L430 PolarHBondContact O-N 2.94Å |
| 427 | F | 88 | Confident | 84.2 | Confident | 7 Ų | 7 | 49.2 Ų | 49.2 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.5 | -28.5 | 172.9 | -72.8 | -87.7 | 0 | 0 | 0 | 112.1 | P349 V351 W360 N365 L369 V411 Y423 H424 P425 G431 | P349-F427 HydrophobicContact CB-CB 4.43Å; P349-F427 HydrophobicContact CB-CD1 4.28Å; V351-F427 HydrophobicContact CG2-CB 3.83Å; W360-F427 HydrophobicContact CZ3-CE2 4.25Å; N365-F427 HydrophobicContact CB-CD1 4.33Å; N365-F427 HydrophobicContact CB-CE1 3.98Å; N365-F427 HydrophobicContact CB-CZ 4.31Å; N365-F427 WeakPolarHBondContact O-CE1 3.36Å; L369-F427 HydrophobicContact CD1-CE1 4.34Å; L369-F427 HydrophobicContact CD1-CZ 4.1Å; L369-F427 HydrophobicContact CD2-CE1 3.75Å; L369-F427 HydrophobicContact CD2-CZ 4.01Å; L369-F427 HydrophobicContact CG-CE1 3.84Å; L369-F427 HydrophobicContact CG-CZ 4.1Å; V411-F427 HydrophobicContact CG1-CZ 4.49Å; Y423-F427 HydrophobicContact CD2-CE2 4.12Å; Y423-F427 HydrophobicContact CE2-CE2 4.08Å; H424-F427 WeakPolarHBondContact O-CB 3.43Å; H424-F427 PolarHBondContact O-N 3.41Å; P425-F427 VanDerWaalsContact C-N 3.25Å; P425-F427 PolarHBondContact O-N 2.93Å; F427-G431 PolarHBondContact O-N 3.44Å |
| 428 | A | 87.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.8 | -43.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | N123 A126 I127 V351 P425 L426 G431 F432 | N123-A428 WeakPolarHBondContact CB-O 3.39Å; A126-A428 HydrophobicContact CB-CB 3.7Å; I127-A428 HydrophobicContact CG1-CB 4.17Å; V351-A428 HydrophobicContact CB-CB 3.74Å; V351-A428 HydrophobicContact CG1-CB 4.25Å; V351-A428 HydrophobicContact CG2-CB 3.92Å; P425-A428 VanDerWaalsContact O-CB 3.22Å; P425-A428 WeakPolarHBondContact O-CB 3.27Å; P425-A428 PolarHBondContact O-N 3.08Å; P425-A428 VanDerWaalsContact O-N 3.08Å; L426-A428 VanDerWaalsContact C-N 3.26Å; L426-A428 PolarHBondContact O-N 3.39Å; A428-G431 PolarHBondContact O-N 3.13Å; A428-F432 WeakPolarHBondContact O-CB 3.37Å; A428-F432 PolarHBondContact O-N 3.2Å |
| 429 | F | 87.9 | Confident | 85.5 | Confident | 76 Ų | 76 | 41.7 Ų | 41.7 | 33% | 0.333 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.2 | -46.5 | 175.1 | -173.5 | -98.2 | 0 | 0 | 0 | 112.1 | L13 I127 P425 L426 G431 F432 V433 | L13-F429 HydrophobicContact CD1-CZ 4.2Å; I127-F429 HydrophobicContact CD1-CD2 4.34Å; P425-F429 PolarHBondContact O-N 3Å; L426-F429 PolarHBondContact O-N 3.06Å; F429-G431 VanDerWaalsContact C-N 3.32Å; F429-G431 PolarHBondContact O-N 3.33Å; F429-F432 WeakPolarHBondContact O-CB 3.07Å; F429-F432 PolarHBondContact O-N 3.37Å; F429-V433 HydrophobicContact CD1-CG2 4.29Å; F429-V433 HydrophobicContact CE1-CG2 3.83Å; F429-V433 HydrophobicContact CZ-CG2 3.95Å; F429-V433 WeakPolarHBondContact O-CG2 3.48Å; F429-V433 PolarHBondContact O-N 3.02Å |
| 430 | L | 89.5 | Confident | 85.7 | Confident | 39 Ų | 39 | 37.5 Ų | 37.5 | 20% | 0.204 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.1 | -45.8 | 175 | -178.7 | 61 | 0 | 0 | 0 | 111.2 | P349 L369 A372 L426 F432 V433 V434 | P349-L430 HydrophobicContact CG-CB 4.26Å; P349-L430 HydrophobicContact CG-CD2 4.11Å; P349-L430 HydrophobicContact CG-CG 3.99Å; L369-L430 HydrophobicContact CD2-CD2 4.35Å; A372-L430 HydrophobicContact CB-CD1 4.43Å; A372-L430 HydrophobicContact CB-CD2 4.3Å; A372-L430 HydrophobicContact CB-CG 4.29Å; L426-L430 PolarHBondContact O-N 2.94Å; L430-F432 VanDerWaalsContact C-N 3.34Å; L430-F432 PolarHBondContact O-N 2.86Å; L430-V433 PolarHBondContact O-N 2.92Å; L430-V434 HydrophobicContact CD1-CG2 3.97Å; L430-V434 HydrophobicContact CG-CG2 4.27Å; L430-V434 WeakPolarHBondContact O-CB 3.35Å; L430-V434 WeakPolarHBondContact O-CG2 3.39Å; L430-V434 PolarHBondContact O-N 3.25Å |
| 431 | G | 89.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.3 | -37.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N123 P349 F427 A428 F429 S435 | N123-G431 VanDerWaalsContact ND2-CA 3.34Å; N123-G431 WeakPolarHBondContact ND2-CA 3.36Å; P349-G431 VanDerWaalsContact O-CA 3.31Å; P349-G431 WeakPolarHBondContact O-CA 3.4Å; F427-G431 PolarHBondContact O-N 3.44Å; A428-G431 PolarHBondContact O-N 3.13Å; F429-G431 VanDerWaalsContact C-N 3.32Å; F429-G431 PolarHBondContact O-N 3.33Å; G431-S435 VanDerWaalsContact O-CB 3.29Å; G431-S435 WeakPolarHBondContact O-CB 3.45Å; G431-S435 PolarHBondContact O-N 3.48Å; G431-S435 PolarHBondContact O-OG 3.49Å |
| 432 | F | 87.3 | Confident | 86 | Confident | 8 Ų | 8 | 35.1 Ų | 35.1 | 4% | 0.035 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.4 | -50.7 | 172.4 | 173.1 | -97 | 0 | 0 | 0 | 111.7 | F120 N123 L124 I127 F142 A428 F429 L430 V434 S435 A436 | F120-F432 AromaticContact CD2-CD2 3.95Å; F120-F432 HydrophobicContact CD2-CD2 3.95Å; F120-F432 AromaticContact CD2-CE2 3.97Å; F120-F432 HydrophobicContact CD2-CE2 3.97Å; F120-F432 AromaticContact CE2-CD2 3.68Å; F120-F432 HydrophobicContact CE2-CD2 3.68Å; F120-F432 AromaticContact CE2-CE2 3.22Å; F120-F432 HydrophobicContact CE2-CE2 3.22Å; F120-F432 AromaticContact CE2-CZ 3.92Å; F120-F432 HydrophobicContact CE2-CZ 3.92Å; F120-F432 HydrophobicContact CZ-CD2 4.4Å; F120-F432 AromaticContact CZ-CE2 3.63Å; F120-F432 HydrophobicContact CZ-CE2 3.63Å; F120-F432 HydrophobicContact CZ-CZ 4.32Å; N123-F432 HydrophobicContact CB-CB 4.19Å; L124-F432 HydrophobicContact CB-CD2 4.17Å; L124-F432 HydrophobicContact CB-CE2 4.44Å; L124-F432 HydrophobicContact CD1-CD2 4.2Å; L124-F432 HydrophobicContact CD1-CE2 3.87Å; I127-F432 HydrophobicContact CD1-CB 3.48Å; I127-F432 VanDerWaalsContact CD1-CB 3.48Å; I127-F432 HydrophobicContact CD1-CD1 4.23Å; I127-F432 HydrophobicContact CD1-CD2 4.27Å; I127-F432 HydrophobicContact CD1-CG 3.73Å; F142-F432 HydrophobicContact CB-CZ 4.3Å; F142-F432 VanDerWaalsContact O-CZ 3.28Å; F142-F432 WeakPolarHBondContact O-CZ 3.34Å; A428-F432 WeakPolarHBondContact O-CB 3.37Å; A428-F432 PolarHBondContact O-N 3.2Å; F429-F432 WeakPolarHBondContact O-CB 3.07Å; F429-F432 PolarHBondContact O-N 3.37Å; L430-F432 VanDerWaalsContact C-N 3.34Å; L430-F432 PolarHBondContact O-N 2.86Å; F432-V434 PolarHBondContact O-N 3.5Å; F432-S435 PolarHBondContact O-N 2.55Å; F432-S435 PolarHBondContact O-OG 2.82Å; F432-A436 WeakPolarHBondContact O-CB 3.31Å; F432-A436 PolarHBondContact O-N 3.4Å |
| 433 | V | 86.3 | Confident | 86 | Confident | 53 Ų | 53 | 25.5 Ų | 25.5 | 32% | 0.321 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -61.8 | -46.8 | 179.1 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | F429 L430 S435 A436 V437 | F429-V433 HydrophobicContact CD1-CG2 4.29Å; F429-V433 HydrophobicContact CE1-CG2 3.83Å; F429-V433 HydrophobicContact CZ-CG2 3.95Å; F429-V433 WeakPolarHBondContact O-CG2 3.48Å; F429-V433 PolarHBondContact O-N 3.02Å; L430-V433 PolarHBondContact O-N 2.92Å; V433-S435 PolarHBondContact O-N 3.03Å; V433-A436 PolarHBondContact O-N 3.18Å; V433-V437 WeakPolarHBondContact O-CG2 3.29Å; V433-V437 PolarHBondContact O-N 2.8Å |
| 434 | V | 88.9 | Confident | 86 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.5 | -40.8 | -177 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | V348 A372 L375 C376 L430 F432 L438 | V348-V434 HydrophobicContact CG2-CG1 3.99Å; A372-V434 HydrophobicContact CB-CB 4.43Å; A372-V434 HydrophobicContact CB-CG1 4.22Å; A372-V434 HydrophobicContact CB-CG2 3.55Å; L375-V434 HydrophobicContact CD2-CG1 3.87Å; C376-V434 VanDerWaalsContact SG-CG2 3.58Å; L430-V434 HydrophobicContact CD1-CG2 3.97Å; L430-V434 HydrophobicContact CG-CG2 4.27Å; L430-V434 WeakPolarHBondContact O-CB 3.35Å; L430-V434 WeakPolarHBondContact O-CG2 3.39Å; L430-V434 PolarHBondContact O-N 3.25Å; F432-V434 PolarHBondContact O-N 3.5Å; V434-L438 WeakPolarHBondContact O-CB 3.37Å; V434-L438 PolarHBondContact O-N 3.44Å |
| 435 | S | 88.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.8 | -36.3 | 175.1 | 53.6 | 0 | 0 | 0 | 0 | 112.8 | F120 G431 F432 V433 L438 I439 | F120-S435 WeakPolarHBondContact CA-OG 3.42Å; F120-S435 WeakPolarHBondContact CD2-OG 3.34Å; G431-S435 VanDerWaalsContact O-CB 3.29Å; G431-S435 WeakPolarHBondContact O-CB 3.45Å; G431-S435 PolarHBondContact O-N 3.48Å; G431-S435 PolarHBondContact O-OG 3.49Å; F432-S435 PolarHBondContact O-N 2.55Å; F432-S435 PolarHBondContact O-OG 2.82Å; V433-S435 PolarHBondContact O-N 3.03Å; S435-L438 PolarHBondContact O-N 3.07Å; S435-I439 WeakPolarHBondContact O-CB 3.26Å; S435-I439 VanDerWaalsContact O-CG1 3.22Å; S435-I439 WeakPolarHBondContact O-CG1 3.42Å; S435-I439 PolarHBondContact O-N 3.25Å |
| 436 | A | 84.3 | Confident | 86.3 | Confident | 9 Ų | 9 | 21.8 Ų | 21.8 | 7% | 0.074 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.1 | -48.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F120 F432 V433 L438 I439 S440 | F120-A436 HydrophobicContact CD2-CB 4.5Å; F120-A436 HydrophobicContact CE2-CB 4.08Å; F432-A436 WeakPolarHBondContact O-CB 3.31Å; F432-A436 PolarHBondContact O-N 3.4Å; V433-A436 PolarHBondContact O-N 3.18Å; A436-L438 VanDerWaalsContact C-N 3.29Å; A436-L438 PolarHBondContact O-N 3.47Å; A436-I439 PolarHBondContact O-N 2.86Å; A436-S440 WeakPolarHBondContact O-CB 3.3Å; A436-S440 PolarHBondContact O-N 3Å |
| 437 | V | 84.7 | Confident | 86.2 | Confident | 21 Ų | 21 | 17 Ų | 17 | 13% | 0.127 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.9 | -40.3 | 176.4 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | V379 F380 V433 S440 A441 | V379-V437 HydrophobicContact CG1-CG1 4.31Å; F380-V437 HydrophobicContact CB-CG1 4.4Å; F380-V437 HydrophobicContact CD2-CG1 4.25Å; F380-V437 HydrophobicContact CD2-CG2 4.17Å; V433-V437 WeakPolarHBondContact O-CG2 3.29Å; V433-V437 PolarHBondContact O-N 2.8Å; V437-S440 WeakPolarHBondContact O-CB 3.38Å; V437-S440 PolarHBondContact O-N 2.95Å; V437-A441 WeakPolarHBondContact O-CB 3.32Å; V437-A441 PolarHBondContact O-N 2.68Å |
| 438 | L | 86.8 | Confident | 86.1 | Confident | 27 Ų | 27 | 17.3 Ų | 17.3 | 14% | 0.141 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -69.5 | -41.8 | 178.2 | -177.6 | 72.1 | 0 | 0 | 0 | 112.9 | A115 L344 V434 S435 A436 S440 A441 A442 | A115-L438 HydrophobicContact CB-CD2 4.24Å; L344-L438 HydrophobicContact CD2-CD2 3.15Å; L344-L438 HydrophobicContact CD2-CG 4.46Å; V434-L438 WeakPolarHBondContact O-CB 3.37Å; V434-L438 PolarHBondContact O-N 3.44Å; S435-L438 PolarHBondContact O-N 3.07Å; A436-L438 VanDerWaalsContact C-N 3.29Å; A436-L438 PolarHBondContact O-N 3.47Å; L438-S440 VanDerWaalsContact C-N 3.27Å; L438-S440 PolarHBondContact O-N 3.08Å; L438-A441 PolarHBondContact O-N 3.16Å; L438-A442 WeakPolarHBondContact O-CB 3.29Å; L438-A442 PolarHBondContact O-N 2.91Å |
| 439 | I | 85.6 | Confident | 86.1 | Confident | 7 Ų | 7 | 17.4 Ų | 17.4 | 4% | 0.036 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.9 | -45.3 | 174.3 | -73.8 | 166.5 | 0 | 0 | 0 | 109.2 | L112 A115 A116 F120 S435 A436 A442 A443 | L112-I439 HydrophobicContact CD2-CB 4.4Å; L112-I439 HydrophobicContact CD2-CG2 3.89Å; L112-I439 VanDerWaalsContact CD2-O 3.25Å; L112-I439 WeakPolarHBondContact CD2-O 3.35Å; A115-I439 HydrophobicContact CB-CD1 4.44Å; A115-I439 HydrophobicContact CB-CG1 3.81Å; A116-I439 HydrophobicContact CB-CD1 4.3Å; F120-I439 HydrophobicContact CB-CD1 3.93Å; F120-I439 HydrophobicContact CD1-CD1 4.35Å; F120-I439 HydrophobicContact CD2-CD1 4.13Å; F120-I439 HydrophobicContact CG-CD1 3.92Å; S435-I439 WeakPolarHBondContact O-CB 3.26Å; S435-I439 VanDerWaalsContact O-CG1 3.22Å; S435-I439 WeakPolarHBondContact O-CG1 3.42Å; S435-I439 PolarHBondContact O-N 3.25Å; A436-I439 PolarHBondContact O-N 2.86Å; I439-A442 PolarHBondContact O-N 3.47Å; I439-A443 WeakPolarHBondContact O-CB 3.28Å; I439-A443 PolarHBondContact O-N 2.89Å |
| 440 | S | 80.5 | Confident | 86 | Confident | 25 Ų | 25 | 14.1 Ų | 14.1 | 18% | 0.175 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.8 | -51.1 | 176.3 | 174.6 | 0 | 0 | 0 | 0 | 112.7 | P150 A436 V437 L438 A442 A443 S444 | P150-S440 WeakPolarHBondContact CB-OG 3.46Å; P150-S440 VanDerWaalsContact CG-CB 3.42Å; P150-S440 WeakPolarHBondContact CG-OG 3.35Å; A436-S440 WeakPolarHBondContact O-CB 3.3Å; A436-S440 PolarHBondContact O-N 3Å; V437-S440 WeakPolarHBondContact O-CB 3.38Å; V437-S440 PolarHBondContact O-N 2.95Å; L438-S440 VanDerWaalsContact C-N 3.27Å; L438-S440 PolarHBondContact O-N 3.08Å; S440-A442 VanDerWaalsContact C-N 3.32Å; S440-A442 PolarHBondContact O-N 2.95Å; S440-A443 CarbonylContact O-C 3.37Å; S440-A443 WeakPolarHBondContact O-CA 3.32Å; S440-A443 WeakPolarHBondContact O-CB 3.31Å; S440-A443 PolarHBondContact O-N 3.44Å; S440-S444 PolarHBondContact O-N 2.94Å; S440-S444 PolarHBondContact O-OG 3.13Å |
| 441 | A | 83.9 | Confident | 85.7 | Confident | 9 Ų | 9 | 12.9 Ų | 12.9 | 7% | 0.074 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61 | -41.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | F78 V379 V437 L438 A443 S444 E445 | F78-A441 HydrophobicContact CE2-CB 4.2Å; V379-A441 HydrophobicContact CG1-CB 3.21Å; V437-A441 WeakPolarHBondContact O-CB 3.32Å; V437-A441 PolarHBondContact O-N 2.68Å; L438-A441 PolarHBondContact O-N 3.16Å; A441-A443 VanDerWaalsContact C-N 3.31Å; A441-A443 PolarHBondContact O-N 3.36Å; A441-S444 PolarHBondContact O-N 2.93Å; A441-E445 WeakPolarHBondContact O-CG 3.39Å; A441-E445 PolarHBondContact O-N 2.95Å |
| 442 | A | 87 | Confident | 85.5 | Confident | 7 Ų | 7 | 12.9 Ų | 12.9 | 6% | 0.058 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.6 | -35.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L108 I111 L112 L438 I439 S440 V446 | L108-A442 HydrophobicContact CD2-CB 4.45Å; I111-A442 HydrophobicContact CG2-CB 4.28Å; L112-A442 HydrophobicContact CD2-CB 3.76Å; L112-A442 HydrophobicContact CG-CB 3.95Å; L438-A442 WeakPolarHBondContact O-CB 3.29Å; L438-A442 PolarHBondContact O-N 2.91Å; I439-A442 PolarHBondContact O-N 3.47Å; S440-A442 VanDerWaalsContact C-N 3.32Å; S440-A442 PolarHBondContact O-N 2.95Å; A442-V446 WeakPolarHBondContact O-CG2 3.46Å; A442-V446 PolarHBondContact O-N 2.97Å; A442-V446 VanDerWaalsContact O-N 3.08Å |
| 443 | A | 83.9 | Confident | 85.5 | Confident | 8 Ų | 8 | 14.1 Ų | 14.1 | 7% | 0.066 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.2 | -42 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L112 I439 S440 A441 E445 V446 V447 I475 | L112-A443 HydrophobicContact CD2-CB 4.43Å; I439-A443 WeakPolarHBondContact O-CB 3.28Å; I439-A443 PolarHBondContact O-N 2.89Å; S440-A443 CarbonylContact O-C 3.37Å; S440-A443 WeakPolarHBondContact O-CA 3.32Å; S440-A443 WeakPolarHBondContact O-CB 3.31Å; S440-A443 PolarHBondContact O-N 3.44Å; A441-A443 VanDerWaalsContact C-N 3.31Å; A441-A443 PolarHBondContact O-N 3.36Å; A443-E445 VanDerWaalsContact C-N 3.31Å; A443-E445 PolarHBondContact O-N 3.17Å; A443-V446 WeakPolarHBondContact O-CA 3.25Å; A443-V446 WeakPolarHBondContact O-CB 3.4Å; A443-V446 PolarHBondContact O-N 3.4Å; A443-V446 VanDerWaalsContact O-N 3.08Å; A443-V447 VanDerWaalsContact O-CG2 3.26Å; A443-V447 WeakPolarHBondContact O-CG2 3.45Å; A443-V447 PolarHBondContact O-N 3.44Å; A443-I475 HydrophobicContact CB-CG2 4.08Å |
| 444 | S | 82.2 | Confident | 85.3 | Confident | 32 Ų | 32 | 11.6 Ų | 11.6 | 22% | 0.224 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59.8 | -39.4 | 174.3 | -58.7 | 0 | 0 | 0 | 0 | 112.4 | S440 A441 V447 S448 | S440-S444 PolarHBondContact O-N 2.94Å; S440-S444 PolarHBondContact O-OG 3.13Å; A441-S444 PolarHBondContact O-N 2.93Å; S444-V447 PolarHBondContact O-N 3.4Å; S444-S448 WeakPolarHBondContact O-CB 3.23Å; S444-S448 PolarHBondContact O-N 2.85Å; S444-S448 PolarHBondContact O-OG 3.11Å |
| 445 | E | 86.8 | Confident | 85 | Confident | 10 Ų | 10 | 11.7 Ų | 11.7 | 5% | 0.047 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -65.5 | -40.1 | 173.1 | -68.7 | -56.6 | 108.8 | 0 | 0 | 112.3 | G77 F78 Y81 L108 A441 A443 S448 L449 | G77-E445 VanDerWaalsContact CA-OE1 3.25Å; G77-E445 WeakPolarHBondContact CA-OE1 3.31Å; F78-E445 HydrophobicContact CD2-CG 4.24Å; F78-E445 WeakPolarHBondContact CD2-OE1 3.05Å; F78-E445 PolarHBondContact N-OE1 3.17Å; Y81-E445 VanDerWaalsContact CE2-OE2 3.29Å; Y81-E445 WeakPolarHBondContact CE2-OE2 3.45Å; Y81-E445 VanDerWaalsContact CZ-OE2 3.27Å; Y81-E445 PolarHBondContact OH-OE2 3.31Å; L108-E445 HydrophobicContact CD1-CB 3.66Å; L108-E445 HydrophobicContact CD2-CB 4Å; A441-E445 WeakPolarHBondContact O-CG 3.39Å; A441-E445 PolarHBondContact O-N 2.95Å; A443-E445 VanDerWaalsContact C-N 3.31Å; A443-E445 PolarHBondContact O-N 3.17Å; E445-S448 PolarHBondContact O-N 3.42Å; E445-L449 PolarHBondContact O-N 2.89Å |
| 446 | V | 88 | Confident | 84.9 | Confident | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.5 | -47.4 | 173.8 | 165.9 | 0 | 0 | 0 | 0 | 110.5 | L105 L108 F109 L112 A442 A443 S448 L449 L450 I475 | L105-V446 HydrophobicContact CD1-CB 4.28Å; L105-V446 HydrophobicContact CD1-CG1 3.96Å; L105-V446 HydrophobicContact CD1-CG2 4.1Å; L108-V446 HydrophobicContact CB-CG2 3.73Å; L108-V446 HydrophobicContact CD1-CG2 4.14Å; F109-V446 HydrophobicContact CD1-CG2 4.31Å; F109-V446 HydrophobicContact CE1-CG1 3.72Å; F109-V446 HydrophobicContact CE1-CG2 4.01Å; F109-V446 HydrophobicContact CZ-CG1 3.89Å; L112-V446 HydrophobicContact CD1-CG2 4.03Å; A442-V446 WeakPolarHBondContact O-CG2 3.46Å; A442-V446 PolarHBondContact O-N 2.97Å; A442-V446 VanDerWaalsContact O-N 3.08Å; A443-V446 WeakPolarHBondContact O-CA 3.25Å; A443-V446 WeakPolarHBondContact O-CB 3.4Å; A443-V446 PolarHBondContact O-N 3.4Å; A443-V446 VanDerWaalsContact O-N 3.08Å; V446-S448 VanDerWaalsContact C-N 3.31Å; V446-S448 PolarHBondContact O-N 2.87Å; V446-L449 PolarHBondContact O-N 3.34Å; V446-L450 HydrophobicContact CG1-CD1 3.69Å; V446-L450 HydrophobicContact CG1-CG 4.16Å; V446-L450 VanDerWaalsContact O-CB 3.26Å; V446-L450 WeakPolarHBondContact O-CB 3.42Å; V446-L450 VanDerWaalsContact O-CG 3.23Å; V446-L450 WeakPolarHBondContact O-CG 3.19Å; V446-L450 PolarHBondContact O-N 2.92Å; V446-I475 HydrophobicContact CB-CG2 4.4Å; V446-I475 HydrophobicContact CG1-CG2 4.04Å |
| 447 | V | 83.8 | Confident | 84.8 | Confident | 18 Ų | 18 | 18.1 Ų | 18.1 | 11% | 0.109 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.6 | -45.1 | 177.1 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | A443 S444 L449 L450 H451 L469 G472 N473 | A443-V447 VanDerWaalsContact O-CG2 3.26Å; A443-V447 WeakPolarHBondContact O-CG2 3.45Å; A443-V447 PolarHBondContact O-N 3.44Å; S444-V447 PolarHBondContact O-N 3.4Å; V447-L449 PolarHBondContact O-N 2.9Å; V447-L450 WeakPolarHBondContact O-CB 3.35Å; V447-L450 PolarHBondContact O-N 3.41Å; V447-H451 WeakPolarHBondContact O-CB 3.44Å; V447-H451 PolarHBondContact O-N 3.19Å; V447-L469 HydrophobicContact CG1-CD2 3.7Å; V447-G472 WeakPolarHBondContact CG2-O 3.38Å; V447-N473 VanDerWaalsContact CG2-OD1 3.24Å; V447-N473 WeakPolarHBondContact CG2-OD1 3.12Å |
| 448 | S | 85 | Confident | 84.7 | Confident | 15 Ų | 15 | 20.4 Ų | 20.4 | 11% | 0.105 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.5 | -37.1 | -179.3 | -59.8 | 0 | 0 | 0 | 0 | 112.9 | S444 E445 V446 M452 | S444-S448 WeakPolarHBondContact O-CB 3.23Å; S444-S448 PolarHBondContact O-N 2.85Å; S444-S448 PolarHBondContact O-OG 3.11Å; E445-S448 PolarHBondContact O-N 3.42Å; V446-S448 VanDerWaalsContact C-N 3.31Å; V446-S448 PolarHBondContact O-N 2.87Å; S448-M452 PolarHBondContact O-N 2.96Å |
| 449 | L | 88.4 | Confident | 84.2 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68.8 | -42 | 172.3 | -80.2 | 162.3 | 0 | 0 | 0 | 112.4 | Y81 C101 L105 L108 E445 V446 V447 H451 M452 L453 | Y81-L449 HydrophobicContact CD1-CD2 3.24Å; Y81-L449 HydrophobicContact CD1-CG 3.8Å; Y81-L449 HydrophobicContact CD2-CD2 4.36Å; Y81-L449 HydrophobicContact CD2-CG 4.1Å; Y81-L449 HydrophobicContact CE1-CD1 4.13Å; Y81-L449 HydrophobicContact CE1-CD2 3.39Å; Y81-L449 HydrophobicContact CE1-CG 3.64Å; Y81-L449 HydrophobicContact CE2-CD2 4.48Å; Y81-L449 HydrophobicContact CE2-CG 3.96Å; Y81-L449 HydrophobicContact CG-CD2 3.76Å; Y81-L449 HydrophobicContact CG-CG 4.02Å; C101-L449 HydrophobicContact CB-CD2 3.77Å; L105-L449 HydrophobicContact CB-CD1 3.97Å; L105-L449 HydrophobicContact CD1-CB 4.06Å; L105-L449 HydrophobicContact CD1-CD1 4.01Å; L108-L449 HydrophobicContact CD1-CD1 3.45Å; L108-L449 VanDerWaalsContact CD1-CD1 3.45Å; E445-L449 PolarHBondContact O-N 2.89Å; V446-L449 PolarHBondContact O-N 3.34Å; V447-L449 PolarHBondContact O-N 2.9Å; L449-H451 VanDerWaalsContact C-N 3.33Å; L449-M452 HydrophobicContact CD2-CE 4.21Å; L449-M452 PolarHBondContact O-N 2.88Å; L449-L453 WeakPolarHBondContact O-CG 3.24Å; L449-L453 PolarHBondContact O-N 3.25Å |
| 450 | L | 85.4 | Confident | 83.7 | Confident | 7 Ų | 7 | 20.8 Ų | 20.8 | 4% | 0.037 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.9 | -41.4 | 176.8 | -80.7 | -179.7 | 0 | 0 | 0 | 111 | V446 V447 L453 G454 L468 W471 | V446-L450 HydrophobicContact CG1-CD1 3.69Å; V446-L450 HydrophobicContact CG1-CG 4.16Å; V446-L450 VanDerWaalsContact O-CB 3.26Å; V446-L450 WeakPolarHBondContact O-CB 3.42Å; V446-L450 VanDerWaalsContact O-CG 3.23Å; V446-L450 WeakPolarHBondContact O-CG 3.19Å; V446-L450 PolarHBondContact O-N 2.92Å; V447-L450 WeakPolarHBondContact O-CB 3.35Å; V447-L450 PolarHBondContact O-N 3.41Å; L450-L453 PolarHBondContact O-N 3.26Å; L450-G454 PolarHBondContact O-N 3.28Å; L450-L468 VanDerWaalsContact C-CD2 3.46Å; L450-L468 HydrophobicContact CB-CD2 3.5Å; L450-L468 HydrophobicContact CD2-CD2 4.17Å; L450-L468 HydrophobicContact CG-CD2 4.29Å; L450-L468 WeakPolarHBondContact O-CD2 3.41Å; L450-W471 HydrophobicContact CD1-CD2 4.37Å; L450-W471 HydrophobicContact CD1-CZ2 3.95Å; L450-W471 HydrophobicContact CD2-CH2 4.21Å; L450-W471 HydrophobicContact CD2-CZ2 3.77Å |
| 451 | H | 82.8 | Confident | 83.3 | Confident | 13 Ų | 13 | 22.2 Ų | 22.2 | 6% | 0.06 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.1 | -52.1 | 171.2 | -176.6 | -106.3 | 0 | 0 | 0 | 111.9 | V447 L449 L453 G454 V455 L464 L469 | V447-H451 WeakPolarHBondContact O-CB 3.44Å; V447-H451 PolarHBondContact O-N 3.19Å; L449-H451 VanDerWaalsContact C-N 3.33Å; H451-L453 VanDerWaalsContact C-N 3.3Å; H451-L453 PolarHBondContact O-N 3.02Å; H451-G454 WeakPolarHBondContact O-CA 3.43Å; H451-G454 PolarHBondContact O-N 3.08Å; H451-V455 PolarHBondContact O-N 3.04Å; H451-L464 WeakPolarHBondContact CD2-CD2 3.37Å; H451-L469 HydrophobicContact CB-CD2 3.8Å |
| 452 | M | 86.3 | Confident | 82.7 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.6 | -43.3 | 177.9 | 177.6 | -80.2 | -62.9 | 0 | 0 | 111.6 | L82 A85 C101 S448 L449 G454 V455 V456 | L82-M452 HydrophobicContact CD2-CB 4.39Å; L82-M452 HydrophobicContact CD2-CG 4.14Å; L82-M452 HydrophobicContact CG-CB 4.41Å; L82-M452 HydrophobicContact CG-CG 4.43Å; A85-M452 HydrophobicContact CB-CG 4.04Å; A85-M452 HydrophobicContact CB-SD 4Å; C101-M452 HydrophobicContact CB-CE 3.7Å; S448-M452 PolarHBondContact O-N 2.96Å; L449-M452 HydrophobicContact CD2-CE 4.21Å; L449-M452 PolarHBondContact O-N 2.88Å; M452-G454 VanDerWaalsContact C-N 3.33Å; M452-G454 PolarHBondContact O-N 3.4Å; M452-V455 PolarHBondContact O-N 3.43Å; M452-V456 VanDerWaalsContact O-CG2 3.31Å; M452-V456 WeakPolarHBondContact O-CG2 3.36Å; M452-V456 PolarHBondContact O-N 3.1Å; M452-V456 HydrophobicContact SD-CG2 3.77Å |
| 453 | L | 86.4 | Confident | 82.1 | Confident | 34 Ų | 34 | 23.3 Ų | 23.3 | 18% | 0.178 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.1 | -38.9 | 175.1 | -70.9 | 173.6 | 0 | 0 | 0 | 111.9 | I102 L105 L449 L450 H451 V456 L457 | I102-L453 HydrophobicContact CG1-CD2 4.33Å; L105-L453 HydrophobicContact CD2-CD1 4Å; L449-L453 WeakPolarHBondContact O-CG 3.24Å; L449-L453 PolarHBondContact O-N 3.25Å; L450-L453 PolarHBondContact O-N 3.26Å; H451-L453 VanDerWaalsContact C-N 3.3Å; H451-L453 PolarHBondContact O-N 3.02Å; L453-V456 PolarHBondContact O-N 2.88Å; L453-L457 WeakPolarHBondContact O-CB 3.35Å; L453-L457 VanDerWaalsContact O-CG 3.23Å; L453-L457 WeakPolarHBondContact O-CG 3.47Å; L453-L457 PolarHBondContact O-N 2.99Å |
| 454 | G | 82.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.1 | -44.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | L450 H451 M452 L457 S458 L459 | L450-G454 PolarHBondContact O-N 3.28Å; H451-G454 WeakPolarHBondContact O-CA 3.43Å; H451-G454 PolarHBondContact O-N 3.08Å; M452-G454 VanDerWaalsContact C-N 3.33Å; M452-G454 PolarHBondContact O-N 3.4Å; G454-L457 CarbonylContact O-C 3.53Å; G454-L457 PolarHBondContact O-N 3.44Å; G454-S458 PolarHBondContact O-N 3.24Å; G454-S458 VanDerWaalsContact O-N 3.16Å; G454-L459 PolarHBondContact O-N 3.27Å; G454-L459 VanDerWaalsContact O-N 3.08Å |
| 455 | V | 83.1 | Confident | 81.2 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.9 | -41.4 | 174.8 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | C51 V54 M55 L82 H451 M452 L457 S458 L464 | C51-V455 WeakPolarHBondContact O-CG1 3.3Å; V54-V455 HydrophobicContact CB-CG1 4.31Å; M55-V455 WeakPolarHBondContact CG-O 3.37Å; L82-V455 HydrophobicContact CD2-CB 4.07Å; L82-V455 HydrophobicContact CD2-CG1 3.97Å; L82-V455 HydrophobicContact CD2-CG2 4.32Å; H451-V455 PolarHBondContact O-N 3.04Å; M452-V455 PolarHBondContact O-N 3.43Å; V455-L457 VanDerWaalsContact C-N 3.26Å; V455-L457 PolarHBondContact O-N 3.3Å; V455-S458 PolarHBondContact O-N 3.5Å; V455-S458 VanDerWaalsContact O-N 3.09Å; V455-L464 HydrophobicContact CG2-CD2 4.41Å |
| 456 | V | 84.6 | Confident | 80.6 | Confident | 30 Ų | 30 | 21.3 Ų | 21.3 | 18% | 0.182 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.9 | -32.3 | 175.9 | 169.7 | 0 | 0 | 0 | 0 | 111.9 | F86 I98 M452 L453 S458 | F86-V456 HydrophobicContact CE2-CG2 4.42Å; F86-V456 HydrophobicContact CZ-CG2 3.82Å; I98-V456 HydrophobicContact CD1-CG1 4.25Å; M452-V456 VanDerWaalsContact O-CG2 3.31Å; M452-V456 WeakPolarHBondContact O-CG2 3.36Å; M452-V456 PolarHBondContact O-N 3.1Å; M452-V456 HydrophobicContact SD-CG2 3.77Å; L453-V456 PolarHBondContact O-N 2.88Å; V456-S458 VanDerWaalsContact C-N 3.28Å |
| 457 | L | 84.1 | Confident | 80.4 | Confident | 115 Ų | 115 | 22.1 Ų | 22.1 | 60% | 0.602 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 1.5 | 175.7 | -67.7 | 173.6 | 0 | 0 | 0 | 113.5 | L453 G454 V455 L459 | L453-L457 WeakPolarHBondContact O-CB 3.35Å; L453-L457 VanDerWaalsContact O-CG 3.23Å; L453-L457 WeakPolarHBondContact O-CG 3.47Å; L453-L457 PolarHBondContact O-N 2.99Å; G454-L457 CarbonylContact O-C 3.53Å; G454-L457 PolarHBondContact O-N 3.44Å; V455-L457 VanDerWaalsContact C-N 3.26Å; V455-L457 PolarHBondContact O-N 3.3Å; L457-L459 VanDerWaalsContact C-N 3.32Å; L457-L459 HydrophobicContact CB-CG 4.14Å; L457-L459 PolarHBondContact O-N 2.95Å |
| 458 | S | 81.1 | Confident | 80.1 | Confident | 69 Ų | 69 | 22.5 Ų | 22.5 | 48% | 0.483 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 40.5 | -178.1 | -55.2 | 0 | 0 | 0 | 0 | 114 | G454 V455 V456 | G454-S458 PolarHBondContact O-N 3.24Å; G454-S458 VanDerWaalsContact O-N 3.16Å; V455-S458 PolarHBondContact O-N 3.5Å; V455-S458 VanDerWaalsContact O-N 3.09Å; V456-S458 VanDerWaalsContact C-N 3.28Å |
| 459 | L | 77.6 | Confident | 79.7 | Confident | 17 Ų | 17 | 23.3 Ų | 23.3 | 9% | 0.089 | 14% | 0.135 | C | C | . | . | trans | -80.4 | 146 | 172.9 | -59.5 | 178.7 | 0 | 0 | 0 | 110.9 | G454 L457 L468 F582 | G454-L459 PolarHBondContact O-N 3.27Å; G454-L459 VanDerWaalsContact O-N 3.08Å; L457-L459 VanDerWaalsContact C-N 3.32Å; L457-L459 HydrophobicContact CB-CG 4.14Å; L457-L459 PolarHBondContact O-N 2.95Å; L459-L468 HydrophobicContact CD1-CD1 4.47Å; L459-F582 HydrophobicContact CD2-CZ 4.38Å | ||
| 460 | S | 75.3 | Confident | 79.3 | Confident | 24 Ų | 24 | 23.2 Ų | 23.2 | 17% | 0.168 | 13% | 0.134 | C | C | . | . | trans | -63.2 | 151.7 | 172.7 | 66.9 | 0 | 0 | 0 | 0 | 112.4 | T462 V463 L464 E581 | S460-T462 PolarHBondContact O-N 3.06Å; S460-V463 PolarHBondContact O-N 3Å; S460-V463 PolarHBondContact OG-N 3.06Å; S460-L464 VanDerWaalsContact O-CB 3.24Å; S460-L464 WeakPolarHBondContact O-CB 3.35Å; S460-L464 PolarHBondContact O-N 2.92Å; S460-E581 WeakPolarHBondContact CB-OE1 3.47Å; S460-E581 PolarHBondContact N-OE1 3.39Å; S460-E581 PolarHBondContact OG-OE1 3.39Å; S460-E581 PolarHBondContact OG-OE2 2.99Å | ||
| 461 | N | 72 | Confident | 79.3 | Confident | 55 Ų | 55 | 26.5 Ų | 26.5 | 29% | 0.294 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -56.9 | -31.9 | 174.4 | -63.7 | -41 | 0 | 0 | 0 | 112.2 | G465 | N461-G465 PolarHBondContact O-N 3.12Å |
| 462 | T | 70.3 | Confident | 79.2 | Confident | 38 Ų | 38 | 25.9 Ų | 25.9 | 23% | 0.233 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.5 | -46.7 | 178.4 | -47.2 | 0 | 0 | 0 | 0 | 111.7 | S460 L466 L532 | S460-T462 PolarHBondContact O-N 3.06Å; T462-L466 HydrophobicContact CG2-CD1 3.71Å; T462-L466 HydrophobicContact CG2-CG 4.34Å; T462-L466 VanDerWaalsContact O-CB 3.28Å; T462-L466 WeakPolarHBondContact O-CB 3.41Å; T462-L466 VanDerWaalsContact O-CG 3.22Å; T462-L466 WeakPolarHBondContact O-CG 3.47Å; T462-L466 PolarHBondContact O-N 3.45Å; T462-L532 HydrophobicContact CG2-CB 4.33Å; T462-L532 HydrophobicContact CG2-CD2 4.26Å |
| 463 | V | 74.5 | Confident | 78.9 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.1 | -42.5 | 174.9 | 170 | 0 | 0 | 0 | 0 | 111 | S460 G465 T467 L532 L578 E581 | S460-V463 PolarHBondContact O-N 3Å; S460-V463 PolarHBondContact OG-N 3.06Å; V463-G465 VanDerWaalsContact C-N 3.34Å; V463-G465 PolarHBondContact O-N 3.34Å; V463-T467 WeakPolarHBondContact O-CB 3.5Å; V463-T467 PolarHBondContact O-N 3.44Å; V463-T467 PolarHBondContact O-OG1 2.69Å; V463-L532 HydrophobicContact CB-CD2 4.34Å; V463-L532 HydrophobicContact CG2-CD2 3.59Å; V463-L578 HydrophobicContact CG1-CD2 4.38Å; V463-E581 HydrophobicContact CB-CG 4.44Å; V463-E581 HydrophobicContact CG2-CB 3.7Å; V463-E581 VanDerWaalsContact CG2-CD 3.49Å; V463-E581 HydrophobicContact CG2-CG 3.65Å; V463-E581 WeakPolarHBondContact CG2-OE2 3.48Å |
| 464 | L | 75.3 | Confident | 79 | Confident | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -56.9 | -50.2 | 177.3 | -168.9 | 52.7 | 0 | 0 | 0 | 110.2 | H451 V455 S460 L468 L469 | H451-L464 WeakPolarHBondContact CD2-CD2 3.37Å; V455-L464 HydrophobicContact CG2-CD2 4.41Å; S460-L464 VanDerWaalsContact O-CB 3.24Å; S460-L464 WeakPolarHBondContact O-CB 3.35Å; S460-L464 PolarHBondContact O-N 2.92Å; L464-L468 HydrophobicContact CD1-CB 4.07Å; L464-L468 HydrophobicContact CD1-CD2 3.57Å; L464-L468 HydrophobicContact CD1-CG 4.36Å; L464-L468 PolarHBondContact O-N 2.88Å; L464-L468 VanDerWaalsContact O-N 3.14Å; L464-L469 HydrophobicContact CD1-CG 4.39Å; L464-L469 HydrophobicContact CG-CD1 4.24Å; L464-L469 HydrophobicContact CG-CG 4.1Å; L464-L469 WeakPolarHBondContact O-CB 3.48Å; L464-L469 VanDerWaalsContact O-CG 3.3Å; L464-L469 WeakPolarHBondContact O-CG 3.35Å; L464-L469 PolarHBondContact O-N 3.22Å |
| 465 | G | 71.6 | Confident | 79.2 | Confident | 6 Ų | 6 | 27.7 Ų | 27.7 | 6% | 0.062 | 15% | 0.153 | C | C | . | . | I | π-helix | trans | -63.5 | -51.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | N461 V463 T467 A470 | N461-G465 PolarHBondContact O-N 3.12Å; V463-G465 VanDerWaalsContact C-N 3.34Å; V463-G465 PolarHBondContact O-N 3.34Å; G465-T467 PolarHBondContact O-N 3.2Å; G465-A470 PolarHBondContact O-N 2.97Å |
| 466 | L | 75.1 | Confident | 79.2 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -79.8 | -16.7 | -172 | -61.2 | -179 | 0 | 0 | 0 | 114.1 | L167 G170 G174 T462 A470 L532 T533 V536 | L167-L466 HydrophobicContact CD1-CD2 4.23Å; L167-L466 HydrophobicContact CD1-CG 4.41Å; G170-L466 WeakPolarHBondContact O-CD2 3.39Å; G174-L466 WeakPolarHBondContact CA-O 3.27Å; T462-L466 HydrophobicContact CG2-CD1 3.71Å; T462-L466 HydrophobicContact CG2-CG 4.34Å; T462-L466 VanDerWaalsContact O-CB 3.28Å; T462-L466 WeakPolarHBondContact O-CB 3.41Å; T462-L466 VanDerWaalsContact O-CG 3.22Å; T462-L466 WeakPolarHBondContact O-CG 3.47Å; T462-L466 PolarHBondContact O-N 3.45Å; L466-A470 WeakPolarHBondContact O-CB 3.44Å; L466-L532 HydrophobicContact CB-CD2 4.17Å; L466-L532 HydrophobicContact CB-CG 4.49Å; L466-L532 HydrophobicContact CD1-CB 3.87Å; L466-L532 HydrophobicContact CD1-CD2 3.86Å; L466-L532 HydrophobicContact CD1-CG 3.72Å; L466-T533 WeakPolarHBondContact CD1-OG1 3.26Å; L466-V536 HydrophobicContact CB-CG2 4.39Å |
| 467 | T | 82.6 | Confident | 79.3 | Confident | 17 Ų | 17 | 27 Ų | 27 | 10% | 0.104 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -120.9 | -63.5 | -178.3 | 69.7 | 0 | 0 | 0 | 0 | 113 | V463 G465 W471 A577 | V463-T467 WeakPolarHBondContact O-CB 3.5Å; V463-T467 PolarHBondContact O-N 3.44Å; V463-T467 PolarHBondContact O-OG1 2.69Å; G465-T467 PolarHBondContact O-N 3.2Å; T467-W471 WeakPolarHBondContact O-CB 3.39Å; T467-W471 PolarHBondContact O-N 3.43Å; T467-A577 HydrophobicContact CG2-CB 4.24Å |
| 468 | L | 79.1 | Confident | 79.6 | Confident | 26 Ų | 26 | 23 Ų | 23 | 14% | 0.136 | 13% | 0.129 | C | C | . | . | I | π-helix | trans | -83.7 | -38.1 | -164.3 | -168.5 | 139.6 | 0 | 0 | 0 | 112.1 | L450 L459 L464 G472 | L450-L468 VanDerWaalsContact C-CD2 3.46Å; L450-L468 HydrophobicContact CB-CD2 3.5Å; L450-L468 HydrophobicContact CD2-CD2 4.17Å; L450-L468 HydrophobicContact CG-CD2 4.29Å; L450-L468 WeakPolarHBondContact O-CD2 3.41Å; L459-L468 HydrophobicContact CD1-CD1 4.47Å; L464-L468 HydrophobicContact CD1-CB 4.07Å; L464-L468 HydrophobicContact CD1-CD2 3.57Å; L464-L468 HydrophobicContact CD1-CG 4.36Å; L464-L468 PolarHBondContact O-N 2.88Å; L464-L468 VanDerWaalsContact O-N 3.14Å; L468-G472 PolarHBondContact O-N 3Å |
| 469 | L | 76.6 | Confident | 79.9 | Confident | 32 Ų | 32 | 22.4 Ų | 22.4 | 17% | 0.168 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -71.4 | -39 | 168.6 | -60.8 | -177.3 | 0 | 0 | 0 | 111.3 | V447 H451 L464 W471 G472 N473 | V447-L469 HydrophobicContact CG1-CD2 3.7Å; H451-L469 HydrophobicContact CB-CD2 3.8Å; L464-L469 HydrophobicContact CD1-CG 4.39Å; L464-L469 HydrophobicContact CG-CD1 4.24Å; L464-L469 HydrophobicContact CG-CG 4.1Å; L464-L469 WeakPolarHBondContact O-CB 3.48Å; L464-L469 VanDerWaalsContact O-CG 3.3Å; L464-L469 WeakPolarHBondContact O-CG 3.35Å; L464-L469 PolarHBondContact O-N 3.22Å; L469-W471 PolarHBondContact O-N 2.91Å; L469-G472 WeakPolarHBondContact O-CA 3.49Å; L469-G472 PolarHBondContact O-N 3.46Å; L469-N473 PolarHBondContact O-N 2.96Å |
| 470 | A | 80.2 | Confident | 80.2 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61 | -42.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A171 G465 L466 | A171-A470 WeakPolarHBondContact O-CB 2.82Å; G465-A470 PolarHBondContact O-N 2.97Å; L466-A470 WeakPolarHBondContact O-CB 3.44Å |
| 471 | W | 83.7 | Confident | 81 | Confident | 75 Ų | 75 | 20.6 Ų | 20.6 | 28% | 0.284 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -59 | -52.8 | 166.3 | 129.2 | 26.4 | 0 | 0 | 0 | 109.3 | F178 L450 T467 L469 N473 S474 I475 | F178-W471 HydrophobicContact CD2-CB 3.99Å; F178-W471 HydrophobicContact CE2-CB 4.02Å; F178-W471 HydrophobicContact CE2-CG 4.25Å; F178-W471 HydrophobicContact CG-CB 4.34Å; F178-W471 HydrophobicContact CZ-CB 4.43Å; F178-W471 HydrophobicContact CZ-CG 4.45Å; L450-W471 HydrophobicContact CD1-CD2 4.37Å; L450-W471 HydrophobicContact CD1-CZ2 3.95Å; L450-W471 HydrophobicContact CD2-CH2 4.21Å; L450-W471 HydrophobicContact CD2-CZ2 3.77Å; T467-W471 WeakPolarHBondContact O-CB 3.39Å; T467-W471 PolarHBondContact O-N 3.43Å; L469-W471 PolarHBondContact O-N 2.91Å; W471-N473 PolarHBondContact O-N 2.91Å; W471-S474 CarbonylContact O-C 3.5Å; W471-S474 PolarHBondContact O-N 3.26Å; W471-I475 PolarHBondContact O-N 3.5Å |
| 472 | G | 82.3 | Confident | 81.8 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -51.3 | -43.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V447 L468 L469 I475 | V447-G472 WeakPolarHBondContact CG2-O 3.38Å; L468-G472 PolarHBondContact O-N 3Å; L469-G472 WeakPolarHBondContact O-CA 3.49Å; L469-G472 PolarHBondContact O-N 3.46Å; G472-I475 WeakPolarHBondContact O-CB 3.38Å; G472-I475 WeakPolarHBondContact O-CG2 3.46Å; G472-I475 PolarHBondContact O-N 3.32Å |
| 473 | N | 80.1 | Confident | 82.5 | Confident | 65 Ų | 65 | 17.4 Ų | 17.4 | 35% | 0.348 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -63.1 | -45.3 | 178.1 | -69 | -20.3 | 0 | 0 | 0 | 111.6 | V447 L469 W471 I475 | V447-N473 VanDerWaalsContact CG2-OD1 3.24Å; V447-N473 WeakPolarHBondContact CG2-OD1 3.12Å; L469-N473 PolarHBondContact O-N 2.96Å; W471-N473 PolarHBondContact O-N 2.91Å; N473-I475 VanDerWaalsContact C-N 3.27Å; N473-I475 PolarHBondContact O-N 3.39Å |
| 474 | S | 87.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 11.9 | 178.9 | -67.9 | 0 | 0 | 0 | 0 | 114.7 | V179 W471 G476 D477 L478 | V179-S474 WeakPolarHBondContact CG2-OG 3.34Å; W471-S474 CarbonylContact O-C 3.5Å; W471-S474 PolarHBondContact O-N 3.26Å; S474-G476 VanDerWaalsContact C-N 3.28Å; S474-G476 PolarHBondContact O-N 3.35Å; S474-D477 WeakPolarHBondContact O-CB 3.46Å; S474-D477 PolarHBondContact O-N 3.16Å; S474-D477 PolarHBondContact OG-OD2 3.33Å; S474-L478 PolarHBondContact O-N 2.95Å |
| 475 | I | 86 | Confident | 83.6 | Confident | 8 Ų | 8 | 17.4 Ų | 17.4 | 4% | 0.041 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -69.9 | -31.1 | 177.4 | -154 | 46.5 | 0 | 0 | 0 | 111.2 | F109 L112 F178 A443 V446 W471 G472 N473 D477 L478 F479 | F109-I475 HydrophobicContact CD1-CG1 4.31Å; F109-I475 HydrophobicContact CE1-CD1 4.33Å; F109-I475 HydrophobicContact CE1-CG1 3.59Å; F109-I475 HydrophobicContact CZ-CG1 4.49Å; L112-I475 HydrophobicContact CD1-CG2 4.04Å; F178-I475 HydrophobicContact CZ-CD1 4.2Å; A443-I475 HydrophobicContact CB-CG2 4.08Å; V446-I475 HydrophobicContact CB-CG2 4.4Å; V446-I475 HydrophobicContact CG1-CG2 4.04Å; W471-I475 PolarHBondContact O-N 3.5Å; G472-I475 WeakPolarHBondContact O-CB 3.38Å; G472-I475 WeakPolarHBondContact O-CG2 3.46Å; G472-I475 PolarHBondContact O-N 3.32Å; N473-I475 VanDerWaalsContact C-N 3.27Å; N473-I475 PolarHBondContact O-N 3.39Å; I475-D477 VanDerWaalsContact C-N 3.31Å; I475-L478 HydrophobicContact CD1-CB 4.29Å; I475-L478 HydrophobicContact CD1-CD2 3.83Å; I475-L478 WeakPolarHBondContact O-CB 3.16Å; I475-L478 PolarHBondContact O-N 3.18Å; I475-F479 HydrophobicContact CD1-CE2 4.15Å; I475-F479 HydrophobicContact CG1-CD2 4.3Å; I475-F479 HydrophobicContact CG1-CE2 4.08Å; I475-F479 WeakPolarHBondContact O-CD2 3.49Å; I475-F479 PolarHBondContact O-N 2.89Å |
| 476 | G | 82.9 | Confident | 84.3 | Confident | 6 Ų | 6 | 25.4 Ų | 25.4 | 6% | 0.062 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.9 | -40 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S474 F479 S480 | S474-G476 VanDerWaalsContact C-N 3.28Å; S474-G476 PolarHBondContact O-N 3.35Å; G476-F479 PolarHBondContact O-N 2.83Å; G476-S480 WeakPolarHBondContact O-CB 3.34Å; G476-S480 PolarHBondContact O-N 3.14Å; G476-S480 PolarHBondContact O-OG 3.37Å |
| 477 | D | 88.1 | Confident | 84.6 | Confident | 11 Ų | 11 | 29.3 Ų | 29.3 | 6% | 0.059 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.6 | -46.7 | 173.9 | -63 | -38.7 | 0 | 0 | 0 | 111.2 | N147 V179 V183 S474 I475 F479 S480 D481 | N147-D477 WeakPolarHBondContact CB-OD1 3.25Å; N147-D477 PolarHBondContact ND2-OD1 3.5Å; V179-D477 HydrophobicContact CG2-CB 4.35Å; V183-D477 HydrophobicContact CG2-CB 4.49Å; S474-D477 WeakPolarHBondContact O-CB 3.46Å; S474-D477 PolarHBondContact O-N 3.16Å; S474-D477 PolarHBondContact OG-OD2 3.33Å; I475-D477 VanDerWaalsContact C-N 3.31Å; D477-F479 PolarHBondContact O-N 3.33Å; D477-S480 WeakPolarHBondContact CA-OG 3.16Å; D477-S480 PolarHBondContact O-N 2.93Å; D477-S480 PolarHBondContact O-OG 2.9Å; D477-S480 VanDerWaalsContact O-OG 3.07Å; D477-D481 VanDerWaalsContact O-CB 3.3Å; D477-D481 WeakPolarHBondContact O-CB 3.16Å; D477-D481 PolarHBondContact O-N 3.23Å |
| 478 | L | 90.1 | Very high | 84.6 | Confident | 30 Ų | 30 | 29.7 Ų | 29.7 | 16% | 0.157 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55 | -51 | 178.5 | -178.1 | 62.4 | 0 | 0 | 0 | 111.8 | F178 V182 V183 S474 I475 V482 | F178-L478 HydrophobicContact CE1-CB 4.38Å; F178-L478 HydrophobicContact CZ-CD2 4.23Å; V182-L478 HydrophobicContact CG1-CD1 4.36Å; V183-L478 HydrophobicContact CB-CD1 4.31Å; V183-L478 HydrophobicContact CG1-CD1 4.48Å; V183-L478 HydrophobicContact CG2-CB 3.86Å; V183-L478 HydrophobicContact CG2-CD1 3.98Å; S474-L478 PolarHBondContact O-N 2.95Å; I475-L478 HydrophobicContact CD1-CB 4.29Å; I475-L478 HydrophobicContact CD1-CD2 3.83Å; I475-L478 WeakPolarHBondContact O-CB 3.16Å; I475-L478 PolarHBondContact O-N 3.18Å; L478-V482 HydrophobicContact CD1-CG2 3.9Å; L478-V482 WeakPolarHBondContact O-CB 3.28Å; L478-V482 WeakPolarHBondContact O-CG2 3.3Å; L478-V482 PolarHBondContact O-N 2.93Å; L478-V482 VanDerWaalsContact O-N 3.14Å |
| 479 | F | 86.6 | Confident | 84.8 | Confident | 58 Ų | 58 | 31.9 Ų | 31.9 | 25% | 0.254 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -71.9 | -38.5 | -176.2 | -80 | -79.6 | 0 | 0 | 0 | 112.7 | F109 L112 I475 G476 D477 T483 | F109-F479 HydrophobicContact CB-CE2 4.42Å; F109-F479 HydrophobicContact CB-CZ 4.02Å; F109-F479 AromaticContact CD1-CE2 3.53Å; F109-F479 HydrophobicContact CD1-CE2 3.53Å; F109-F479 AromaticContact CD1-CZ 3.92Å; F109-F479 HydrophobicContact CD1-CZ 3.92Å; F109-F479 HydrophobicContact CE1-CE2 4.19Å; F109-F479 HydrophobicContact CG-CE2 4.28Å; F109-F479 HydrophobicContact CG-CZ 4.21Å; L112-F479 HydrophobicContact CB-CB 4.37Å; L112-F479 HydrophobicContact CB-CD2 4.23Å; L112-F479 HydrophobicContact CB-CG 4.24Å; L112-F479 HydrophobicContact CD1-CD2 4.36Å; I475-F479 HydrophobicContact CD1-CE2 4.15Å; I475-F479 HydrophobicContact CG1-CD2 4.3Å; I475-F479 HydrophobicContact CG1-CE2 4.08Å; I475-F479 WeakPolarHBondContact O-CD2 3.49Å; I475-F479 PolarHBondContact O-N 2.89Å; G476-F479 PolarHBondContact O-N 2.83Å; D477-F479 PolarHBondContact O-N 3.33Å; F479-T483 WeakPolarHBondContact O-CB 3.17Å; F479-T483 PolarHBondContact O-N 2.94Å; F479-T483 PolarHBondContact O-OG1 2.94Å |
| 480 | S | 85.3 | Confident | 85.4 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.2 | -51.8 | 178.2 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | N147 G476 D477 T483 I484 | N147-S480 PolarHBondContact ND2-OG 3.42Å; G476-S480 WeakPolarHBondContact O-CB 3.34Å; G476-S480 PolarHBondContact O-N 3.14Å; G476-S480 PolarHBondContact O-OG 3.37Å; D477-S480 WeakPolarHBondContact CA-OG 3.16Å; D477-S480 PolarHBondContact O-N 2.93Å; D477-S480 PolarHBondContact O-OG 2.9Å; D477-S480 VanDerWaalsContact O-OG 3.07Å; S480-T483 WeakPolarHBondContact O-CB 3.37Å; S480-T483 PolarHBondContact O-N 3.28Å; S480-I484 VanDerWaalsContact O-CG1 3.3Å; S480-I484 WeakPolarHBondContact O-CG1 3.48Å; S480-I484 PolarHBondContact O-N 3.03Å |
| 481 | D | 90.5 | Very high | 85.8 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.4 | -42.3 | -176 | -74.3 | -27.9 | 0 | 0 | 0 | 112.8 | V183 V187 D477 T483 I484 A485 A493 C497 | V183-D481 HydrophobicContact CG1-CB 3.8Å; V187-D481 HydrophobicContact CG2-CB 3.97Å; D477-D481 VanDerWaalsContact O-CB 3.3Å; D477-D481 WeakPolarHBondContact O-CB 3.16Å; D477-D481 PolarHBondContact O-N 3.23Å; D481-T483 PolarHBondContact O-N 3.29Å; D481-I484 PolarHBondContact O-N 2.96Å; D481-A485 WeakPolarHBondContact O-CB 3.44Å; D481-A485 PolarHBondContact O-N 3.16Å; D481-A493 HydrophobicContact CB-CB 3.99Å; D481-A493 VanDerWaalsContact O-CB 3.3Å; D481-A493 WeakPolarHBondContact O-CB 3.29Å; D481-C497 PolarHBondContact OD2-SG 3.13Å |
| 482 | V | 90.3 | Very high | 85.9 | Confident | 14 Ų | 14 | 33.6 Ų | 33.6 | 9% | 0.085 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.4 | -39.1 | 174.4 | 164.3 | 0 | 0 | 0 | 0 | 110.9 | V187 V190 L478 A485 R486 | V187-V482 HydrophobicContact CG2-CG2 4.45Å; V190-V482 HydrophobicContact CG2-CG1 4.06Å; L478-V482 HydrophobicContact CD1-CG2 3.9Å; L478-V482 WeakPolarHBondContact O-CB 3.28Å; L478-V482 WeakPolarHBondContact O-CG2 3.3Å; L478-V482 PolarHBondContact O-N 2.93Å; L478-V482 VanDerWaalsContact O-N 3.14Å; V482-A485 PolarHBondContact O-N 3.06Å; V482-R486 WeakPolarHBondContact O-CG 3.3Å; V482-R486 PolarHBondContact O-N 2.94Å |
| 483 | T | 84 | Confident | 86.2 | Confident | 12 Ų | 12 | 33.6 Ų | 33.6 | 7% | 0.074 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.1 | -43.1 | -180 | -66.4 | 0 | 0 | 0 | 0 | 111.8 | A116 F479 S480 D481 A485 R486 Q487 | A116-T483 HydrophobicContact CB-CG2 4.48Å; F479-T483 WeakPolarHBondContact O-CB 3.17Å; F479-T483 PolarHBondContact O-N 2.94Å; F479-T483 PolarHBondContact O-OG1 2.94Å; S480-T483 WeakPolarHBondContact O-CB 3.37Å; S480-T483 PolarHBondContact O-N 3.28Å; D481-T483 PolarHBondContact O-N 3.29Å; T483-A485 VanDerWaalsContact C-N 3.29Å; T483-A485 PolarHBondContact O-N 3.09Å; T483-R486 WeakPolarHBondContact O-CB 3.4Å; T483-R486 PolarHBondContact O-N 3.01Å; T483-R486 VanDerWaalsContact O-N 3.12Å; T483-Q487 WeakPolarHBondContact O-CG 3.22Å; T483-Q487 PolarHBondContact O-N 3.34Å |
| 484 | I | 83.4 | Confident | 86.7 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.015 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.6 | -40 | 175.7 | -69.4 | 173.5 | 0 | 0 | 0 | 110.6 | F120 C121 L124 L143 S480 D481 R486 Q487 G488 Y489 M492 A493 | F120-I484 HydrophobicContact CE1-CD1 4.44Å; C121-I484 HydrophobicContact CB-CG1 4.26Å; C121-I484 WeakPolarHBondContact SG-CG1 3.48Å; L124-I484 HydrophobicContact CD2-CD1 4.22Å; L143-I484 HydrophobicContact CD1-CD1 3.77Å; L143-I484 HydrophobicContact CD2-CD1 3.32Å; L143-I484 HydrophobicContact CG-CD1 4.22Å; S480-I484 VanDerWaalsContact O-CG1 3.3Å; S480-I484 WeakPolarHBondContact O-CG1 3.48Å; S480-I484 PolarHBondContact O-N 3.03Å; D481-I484 PolarHBondContact O-N 2.96Å; I484-R486 PolarHBondContact O-N 3.32Å; I484-Q487 PolarHBondContact O-N 3.34Å; I484-G488 PolarHBondContact O-N 3.27Å; I484-Y489 PolarHBondContact O-N 2.95Å; I484-Y489 VanDerWaalsContact O-N 3.09Å; I484-M492 HydrophobicContact CG2-CB 4.33Å; I484-M492 HydrophobicContact CG2-CG 4.33Å; I484-M492 HydrophobicContact CG2-SD 4.46Å; I484-A493 HydrophobicContact CB-CB 4.42Å; I484-A493 HydrophobicContact CG2-CB 4.27Å |
| 485 | A | 88.9 | Confident | 86.8 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V187 V190 K191 D481 V482 T483 Q487 G488 P490 A493 | V187-A485 HydrophobicContact CB-CB 4.39Å; V187-A485 HydrophobicContact CG1-CB 3.82Å; V187-A485 HydrophobicContact CG2-CB 4.3Å; V190-A485 HydrophobicContact CG1-CB 4.35Å; K191-A485 WeakPolarHBondContact CD-O 3.47Å; D481-A485 WeakPolarHBondContact O-CB 3.44Å; D481-A485 PolarHBondContact O-N 3.16Å; V482-A485 PolarHBondContact O-N 3.06Å; T483-A485 VanDerWaalsContact C-N 3.29Å; T483-A485 PolarHBondContact O-N 3.09Å; A485-Q487 VanDerWaalsContact C-N 3.31Å; A485-Q487 PolarHBondContact O-N 3.22Å; A485-G488 PolarHBondContact O-N 3.26Å; A485-G488 VanDerWaalsContact O-N 3.07Å; A485-P490 HydrophobicContact CB-CB 4.05Å; A485-A493 HydrophobicContact CB-CB 4.31Å |
| 486 | R | 86.5 | Confident | 86.9 | Confident | 175 Ų | 175 | 31 Ų | 31 | 66% | 0.66 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -62.1 | -36.7 | 174.7 | -74.4 | 178.9 | -179 | 165.8 | 1.6 | 112.7 | V190 V482 T483 I484 G488 | V190-R486 HydrophobicContact CG1-CB 4.35Å; V190-R486 HydrophobicContact CG1-CG 3.41Å; V190-R486 VanDerWaalsContact CG1-CG 3.41Å; V482-R486 WeakPolarHBondContact O-CG 3.3Å; V482-R486 PolarHBondContact O-N 2.94Å; T483-R486 WeakPolarHBondContact O-CB 3.4Å; T483-R486 PolarHBondContact O-N 3.01Å; T483-R486 VanDerWaalsContact O-N 3.12Å; I484-R486 PolarHBondContact O-N 3.32Å; R486-G488 PolarHBondContact O-N 2.94Å |
| 487 | Q | 80.9 | Confident | 87.3 | Confident | 81 Ų | 81 | 30.9 Ų | 30.9 | 38% | 0.379 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -72.7 | -10.5 | 176.3 | -69.1 | -178.3 | -0.2 | 0 | 0 | 113.2 | S117 T483 I484 A485 Y489 | S117-Q487 PolarHBondContact O-NE2 3.37Å; T483-Q487 WeakPolarHBondContact O-CG 3.22Å; T483-Q487 PolarHBondContact O-N 3.34Å; I484-Q487 PolarHBondContact O-N 3.34Å; A485-Q487 VanDerWaalsContact C-N 3.31Å; A485-Q487 PolarHBondContact O-N 3.22Å; Q487-Y489 HydrophobicContact CB-CD2 4.21Å; Q487-Y489 HydrophobicContact CB-CE2 4.47Å |
| 488 | G | 82.6 | Confident | 87.4 | Confident | 25 Ų | 25 | 30.5 Ų | 30.5 | 26% | 0.258 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 105.7 | 12.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | I484 A485 R486 P490 | I484-G488 PolarHBondContact O-N 3.27Å; A485-G488 PolarHBondContact O-N 3.26Å; A485-G488 VanDerWaalsContact O-N 3.07Å; R486-G488 PolarHBondContact O-N 2.94Å; G488-P490 WeakPolarHBondContact O-CD 3.48Å |
| 489 | Y | 84.9 | Confident | 87.4 | Confident | 73 Ų | 73 | 29.2 Ų | 29.2 | 29% | 0.286 | 13% | 0.133 | S | C | . | . | trans | -110.4 | 52.7 | 175.4 | -52.6 | -78 | 0 | 0 | 0 | 112.4 | H135 I484 Q487 R491 M492 A493 | H135-Y489 AromaticContact CD2-CD1 3.38Å; H135-Y489 WeakPolarHBondContact CD2-CD1 3.22Å; H135-Y489 AromaticContact CD2-CE1 3.45Å; H135-Y489 VanDerWaalsContact CD2-CE1 3.45Å; H135-Y489 WeakPolarHBondContact CD2-CE1 3.25Å; H135-Y489 AromaticContact CE1-CE1 3.97Å; H135-Y489 AromaticContact CG-CD1 3.99Å; H135-Y489 AromaticContact NE2-CD1 3.68Å; H135-Y489 AromaticContact NE2-CE1 3.21Å; H135-Y489 WeakPolarHBondContact NE2-CE1 3.44Å; I484-Y489 PolarHBondContact O-N 2.95Å; I484-Y489 VanDerWaalsContact O-N 3.09Å; Q487-Y489 HydrophobicContact CB-CD2 4.21Å; Q487-Y489 HydrophobicContact CB-CE2 4.47Å; Y489-R491 PolarHBondContact O-N 3.3Å; Y489-M492 WeakPolarHBondContact O-CB 3.37Å; Y489-M492 PolarHBondContact O-N 3.43Å; Y489-A493 PolarHBondContact O-N 2.92Å | ||
| 490 | P | 88.9 | Confident | 87.5 | Confident | 9 Ų | 9 | 26.7 Ų | 26.7 | 6% | 0.058 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.2 | -24.7 | -175 | 31.7 | -38.1 | 0 | 0 | 0 | 113.3 | V187 K191 F193 A485 G488 M492 A493 I494 | V187-P490 HydrophobicContact CG1-CB 4.23Å; K191-P490 HydrophobicContact CB-CB 4.43Å; K191-P490 HydrophobicContact CB-CG 4.48Å; K191-P490 HydrophobicContact CD-CG 4.26Å; K191-P490 HydrophobicContact CG-CG 4.21Å; F193-P490 HydrophobicContact CB-CB 4.46Å; F193-P490 HydrophobicContact CB-CG 3.76Å; F193-P490 HydrophobicContact CD1-CB 3.59Å; F193-P490 HydrophobicContact CD1-CG 3.86Å; F193-P490 HydrophobicContact CD2-CB 4.24Å; F193-P490 HydrophobicContact CD2-CG 3.99Å; F193-P490 HydrophobicContact CE1-CB 3.69Å; F193-P490 HydrophobicContact CE1-CG 4.39Å; F193-P490 HydrophobicContact CE2-CB 4.31Å; F193-P490 HydrophobicContact CE2-CG 4.49Å; F193-P490 HydrophobicContact CG-CB 3.85Å; F193-P490 HydrophobicContact CG-CG 3.6Å; F193-P490 HydrophobicContact CZ-CB 4.03Å; F193-P490 VanDerWaalsContact CZ-O 3.26Å; F193-P490 WeakPolarHBondContact CZ-O 3.37Å; A485-P490 HydrophobicContact CB-CB 4.05Å; G488-P490 WeakPolarHBondContact O-CD 3.48Å; P490-M492 VanDerWaalsContact C-N 3.31Å; P490-A493 PolarHBondContact O-N 2.9Å; P490-I494 PolarHBondContact O-N 2.87Å |
| 491 | R | 87.3 | Confident | 87.7 | Confident | 124 Ų | 124 | 26.9 Ų | 26.9 | 47% | 0.468 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -63.6 | -38.4 | 172.2 | -67 | 179 | 175.5 | 165.5 | 1.5 | 112.4 | N136 F193 T194 Y489 A495 | N136-R491 WeakPolarHBondContact OD1-CB 3.47Å; F193-R491 HydrophobicContact CD2-CB 4.47Å; F193-R491 HydrophobicContact CD2-CG 3.52Å; F193-R491 HydrophobicContact CE2-CB 4.16Å; F193-R491 HydrophobicContact CE2-CG 3.62Å; T194-R491 PolarHBondContact O-NE 3.28Å; T194-R491 PolarHBondContact O-NH2 3.33Å; T194-R491 PolarHBondContact OG1-NH2 3.37Å; Y489-R491 PolarHBondContact O-N 3.3Å; R491-A495 VanDerWaalsContact O-CB 3.31Å; R491-A495 WeakPolarHBondContact O-CB 3.4Å; R491-A495 PolarHBondContact O-N 3.01Å; R491-A495 VanDerWaalsContact O-N 3.16Å |
| 492 | M | 86.9 | Confident | 87.8 | Confident | 9 Ų | 9 | 26.8 Ų | 26.8 | 4% | 0.044 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.6 | -43.1 | 177.3 | 178.3 | 169.8 | 177.3 | 0 | 0 | 111 | L124 H135 A138 L143 I484 Y489 P490 A495 A496 | L124-M492 HydrophobicContact CD1-CE 4.08Å; L124-M492 HydrophobicContact CD2-CE 3.19Å; L124-M492 HydrophobicContact CG-CE 3.55Å; H135-M492 HydrophobicContact CB-CB 4.26Å; H135-M492 HydrophobicContact CB-SD 4.22Å; H135-M492 WeakPolarHBondContact O-CG 3.49Å; A138-M492 HydrophobicContact CB-CE 3.82Å; A138-M492 HydrophobicContact CB-SD 4.45Å; L143-M492 HydrophobicContact CB-CE 4.34Å; L143-M492 HydrophobicContact CD2-CE 4.14Å; L143-M492 HydrophobicContact CD2-CG 4.26Å; I484-M492 HydrophobicContact CG2-CB 4.33Å; I484-M492 HydrophobicContact CG2-CG 4.33Å; I484-M492 HydrophobicContact CG2-SD 4.46Å; Y489-M492 WeakPolarHBondContact O-CB 3.37Å; Y489-M492 PolarHBondContact O-N 3.43Å; P490-M492 VanDerWaalsContact C-N 3.31Å; M492-A495 PolarHBondContact O-N 2.89Å; M492-A496 PolarHBondContact O-N 3Å |
| 493 | A | 89.2 | Confident | 87.8 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.2 | -53.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | V187 D481 I484 A485 Y489 P490 A495 A496 C497 | V187-A493 HydrophobicContact CG1-CB 4.02Å; V187-A493 HydrophobicContact CG2-CB 4.01Å; D481-A493 HydrophobicContact CB-CB 3.99Å; D481-A493 VanDerWaalsContact O-CB 3.3Å; D481-A493 WeakPolarHBondContact O-CB 3.29Å; I484-A493 HydrophobicContact CB-CB 4.42Å; I484-A493 HydrophobicContact CG2-CB 4.27Å; A485-A493 HydrophobicContact CB-CB 4.31Å; Y489-A493 PolarHBondContact O-N 2.92Å; P490-A493 PolarHBondContact O-N 2.9Å; A493-A495 VanDerWaalsContact C-N 3.28Å; A493-A495 PolarHBondContact O-N 3.34Å; A493-A496 WeakPolarHBondContact O-CB 3.49Å; A493-A496 PolarHBondContact O-N 2.92Å; A493-A496 VanDerWaalsContact O-N 3.09Å; A493-C497 PolarHBondContact O-N 3.04Å; A493-C497 PolarHBondContact O-SG 3.38Å |
| 494 | I | 90.6 | Very high | 88 | Confident | 5 Ų | 5 | 26.6 Ų | 26.6 | 3% | 0.026 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.9 | -38.9 | 176.8 | -80.9 | -59.9 | 0 | 0 | 0 | 112.4 | A184 V187 F193 F200 P490 A496 C497 F498 L558 | A184-I494 HydrophobicContact CB-CD1 3.44Å; A184-I494 VanDerWaalsContact CB-CD1 3.44Å; V187-I494 HydrophobicContact CB-CD1 4.37Å; V187-I494 HydrophobicContact CG1-CD1 4.29Å; V187-I494 HydrophobicContact CG1-CG1 3.92Å; F193-I494 HydrophobicContact CE1-CG1 4.12Å; F193-I494 HydrophobicContact CZ-CB 3.99Å; F193-I494 HydrophobicContact CZ-CG1 3.54Å; F200-I494 HydrophobicContact CD2-CG2 4.38Å; P490-I494 PolarHBondContact O-N 2.87Å; I494-A496 VanDerWaalsContact C-N 3.28Å; I494-A496 PolarHBondContact O-N 3.48Å; I494-C497 WeakPolarHBondContact O-CB 3.32Å; I494-C497 PolarHBondContact O-N 2.94Å; I494-F498 HydrophobicContact CG2-CD2 4.15Å; I494-F498 HydrophobicContact CG2-CE2 4.19Å; I494-F498 WeakPolarHBondContact O-CD2 3.4Å; I494-F498 PolarHBondContact O-N 3.34Å; I494-L558 HydrophobicContact CD1-CD2 4.43Å; I494-L558 HydrophobicContact CG1-CD2 4.25Å |
| 495 | A | 88.4 | Confident | 88.3 | Confident | 10 Ų | 10 | 26.6 Ų | 26.6 | 8% | 0.083 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.3 | -34.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V140 R491 M492 A493 G499 | V140-A495 HydrophobicContact CG2-CB 3.66Å; R491-A495 VanDerWaalsContact O-CB 3.31Å; R491-A495 WeakPolarHBondContact O-CB 3.4Å; R491-A495 PolarHBondContact O-N 3.01Å; R491-A495 VanDerWaalsContact O-N 3.16Å; M492-A495 PolarHBondContact O-N 2.89Å; A493-A495 VanDerWaalsContact C-N 3.28Å; A493-A495 PolarHBondContact O-N 3.34Å; A495-G499 PolarHBondContact O-N 3.41Å |
| 496 | A | 89 | Confident | 88.5 | Confident | 4 Ų | 4 | 26.6 Ų | 26.6 | 3% | 0.033 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -71 | -39.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L143 M492 A493 I494 F498 G499 G500 | L143-A496 HydrophobicContact CB-CB 3.97Å; L143-A496 HydrophobicContact CD2-CB 3.28Å; L143-A496 HydrophobicContact CG-CB 3.38Å; M492-A496 PolarHBondContact O-N 3Å; A493-A496 WeakPolarHBondContact O-CB 3.49Å; A493-A496 PolarHBondContact O-N 2.92Å; A493-A496 VanDerWaalsContact O-N 3.09Å; I494-A496 VanDerWaalsContact C-N 3.28Å; I494-A496 PolarHBondContact O-N 3.48Å; A496-F498 VanDerWaalsContact C-N 3.28Å; A496-F498 PolarHBondContact O-N 2.96Å; A496-G499 PolarHBondContact O-N 3.49Å; A496-G500 PolarHBondContact O-N 3.43Å |
| 497 | C | 90.9 | Very high | 88.6 | Confident | 3 Ų | 3 | 21.3 Ų | 21.3 | 2% | 0.02 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -52.3 | -48.8 | 175.2 | -58 | 0 | 0 | 0 | 0 | 111.3 | V179 D481 A493 I494 | V179-C497 HydrophobicContact CG1-CB 3.75Å; V179-C497 VanDerWaalsContact CG1-O 3.31Å; V179-C497 WeakPolarHBondContact CG1-O 3.45Å; D481-C497 PolarHBondContact OD2-SG 3.13Å; A493-C497 PolarHBondContact O-N 3.04Å; A493-C497 PolarHBondContact O-SG 3.38Å; I494-C497 WeakPolarHBondContact O-CB 3.32Å; I494-C497 PolarHBondContact O-N 2.94Å |
| 498 | F | 90.4 | Very high | 88.9 | Confident | 4 Ų | 4 | 17.4 Ų | 17.4 | 2% | 0.018 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -76 | -42.8 | 178.8 | -74.3 | -82.6 | 0 | 0 | 0 | 112.4 | T180 F200 D203 V204 Y207 I494 A496 G500 I501 I502 L544 | T180-F498 HydrophobicContact CG2-CD1 4.36Å; T180-F498 HydrophobicContact CG2-CE1 3.91Å; T180-F498 HydrophobicContact CG2-CZ 4.4Å; F200-F498 HydrophobicContact CD2-CE2 4.37Å; F200-F498 AromaticContact CE2-CE2 3.8Å; F200-F498 HydrophobicContact CE2-CE2 3.8Å; F200-F498 HydrophobicContact CE2-CZ 4.07Å; D203-F498 HydrophobicContact CB-CB 3.96Å; D203-F498 HydrophobicContact CB-CG 4.42Å; V204-F498 HydrophobicContact CG2-CD1 4.35Å; V204-F498 HydrophobicContact CG2-CE1 3.8Å; V204-F498 HydrophobicContact CG2-CZ 4.01Å; Y207-F498 HydrophobicContact CD1-CD1 4.25Å; Y207-F498 HydrophobicContact CD1-CE1 4.49Å; I494-F498 HydrophobicContact CG2-CD2 4.15Å; I494-F498 HydrophobicContact CG2-CE2 4.19Å; I494-F498 WeakPolarHBondContact O-CD2 3.4Å; I494-F498 PolarHBondContact O-N 3.34Å; A496-F498 VanDerWaalsContact C-N 3.28Å; A496-F498 PolarHBondContact O-N 2.96Å; F498-G500 PolarHBondContact O-N 3.26Å; F498-I501 PolarHBondContact O-N 2.96Å; F498-I502 WeakPolarHBondContact O-CB 3.38Å; F498-I502 WeakPolarHBondContact O-CD1 3.26Å; F498-I502 WeakPolarHBondContact O-CG1 3.37Å; F498-I502 PolarHBondContact O-N 2.94Å; F498-L544 HydrophobicContact CE1-CD2 4.08Å |
| 499 | G | 89.4 | Confident | 89.2 | Confident | 2 Ų | 2 | 16.6 Ų | 16.6 | 2% | 0.021 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.5 | -42.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | A495 A496 F503 | A495-G499 PolarHBondContact O-N 3.41Å; A496-G499 PolarHBondContact O-N 3.49Å; G499-F503 VanDerWaalsContact O-CB 3.24Å; G499-F503 WeakPolarHBondContact O-CB 3.27Å; G499-F503 PolarHBondContact O-N 3.12Å |
| 500 | G | 88.6 | Confident | 89.4 | Confident | 5 Ų | 5 | 13.1 Ų | 13.1 | 5% | 0.052 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -64.5 | -46.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A496 F498 F503 N504 | A496-G500 PolarHBondContact O-N 3.43Å; F498-G500 PolarHBondContact O-N 3.26Å; G500-F503 WeakPolarHBondContact O-CB 3.24Å; G500-F503 PolarHBondContact O-N 3.38Å; G500-N504 VanDerWaalsContact O-CG 3.32Å; G500-N504 PolarHBondContact O-N 3.4Å; G500-N504 PolarHBondContact O-OD1 3.28Å |
| 501 | I | 90.8 | Very high | 89.4 | Confident | 5 Ų | 5 | 14.9 Ų | 14.9 | 3% | 0.026 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -69.9 | -38.7 | 178.5 | -63.8 | -63 | 0 | 0 | 0 | 112.2 | V179 Y207 F498 F503 N504 M505 | V179-I501 HydrophobicContact CB-CD1 3.9Å; V179-I501 HydrophobicContact CB-CG1 3.69Å; V179-I501 HydrophobicContact CG1-CD1 4.32Å; V179-I501 HydrophobicContact CG1-CG1 3.68Å; V179-I501 HydrophobicContact CG2-CD1 3.76Å; V179-I501 HydrophobicContact CG2-CG1 4.07Å; Y207-I501 HydrophobicContact CD2-CG2 4.4Å; Y207-I501 HydrophobicContact CE1-CG2 3.95Å; Y207-I501 HydrophobicContact CE2-CG2 3.53Å; Y207-I501 WeakPolarHBondContact OH-CG2 3.42Å; F498-I501 PolarHBondContact O-N 2.96Å; I501-F503 PolarHBondContact O-N 3.49Å; I501-N504 PolarHBondContact O-N 3.45Å; I501-M505 WeakPolarHBondContact O-CB 3.46Å; I501-M505 PolarHBondContact O-N 3.29Å |
| 502 | I | 92.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -61.2 | -39.4 | 173.6 | -68.2 | 166 | 0 | 0 | 0 | 110.4 | D203 Y207 Y238 F498 L506 | D203-I502 HydrophobicContact CB-CD1 4.35Å; D203-I502 WeakPolarHBondContact O-CD1 3.4Å; Y207-I502 HydrophobicContact CD2-CG1 4.14Å; Y207-I502 HydrophobicContact CG-CG1 4.07Å; Y238-I502 HydrophobicContact CD1-CG2 3.9Å; Y238-I502 HydrophobicContact CE1-CG2 3.98Å; Y238-I502 HydrophobicContact CE2-CD1 3.88Å; Y238-I502 HydrophobicContact CG-CG2 4.18Å; F498-I502 WeakPolarHBondContact O-CB 3.38Å; F498-I502 WeakPolarHBondContact O-CD1 3.26Å; F498-I502 WeakPolarHBondContact O-CG1 3.37Å; F498-I502 PolarHBondContact O-N 2.94Å; I502-L506 HydrophobicContact CG2-CD1 3.72Å; I502-L506 HydrophobicContact CG2-CG 4.28Å; I502-L506 VanDerWaalsContact O-CB 3.3Å; I502-L506 WeakPolarHBondContact O-CB 3.35Å; I502-L506 PolarHBondContact O-N 2.99Å |
| 503 | F | 89.5 | Confident | 89.5 | Confident | 17 Ų | 17 | 8.8 Ų | 8.8 | 8% | 0.075 | 5% | 0.047 | C | C | . | . | I | π-helix | trans | -64.4 | -52 | 176 | 178.4 | -133.2 | 0 | 0 | 0 | 111.7 | L145 I152 Y235 G499 G500 I501 M505 F507 G508 | L145-F503 HydrophobicContact CB-CE1 4.38Å; L145-F503 HydrophobicContact CG-CE1 4.26Å; L145-F503 HydrophobicContact CG-CZ 4.39Å; I152-F503 HydrophobicContact CD1-CD1 3.24Å; I152-F503 HydrophobicContact CD1-CD2 3.79Å; I152-F503 HydrophobicContact CD1-CE1 2.98Å; I152-F503 HydrophobicContact CD1-CE2 3.56Å; I152-F503 HydrophobicContact CD1-CG 3.66Å; I152-F503 HydrophobicContact CD1-CZ 3.15Å; I152-F503 HydrophobicContact CG1-CE1 4.42Å; Y235-F503 HydrophobicContact CE1-CD2 4.29Å; Y235-F503 HydrophobicContact CE1-CE2 4.47Å; Y235-F503 HydrophobicContact CE2-CB 4.18Å; Y235-F503 AromaticContact CE2-CD2 3.66Å; Y235-F503 HydrophobicContact CE2-CD2 3.66Å; Y235-F503 HydrophobicContact CE2-CG 4.38Å; Y235-F503 AromaticContact CZ-CD2 3.45Å; Y235-F503 VanDerWaalsContact CZ-CD2 3.45Å; Y235-F503 AromaticContact CZ-CE2 3.95Å; Y235-F503 WeakPolarHBondContact OH-CD2 3.34Å; Y235-F503 WeakPolarHBondContact OH-CE2 3.42Å; G499-F503 VanDerWaalsContact O-CB 3.24Å; G499-F503 WeakPolarHBondContact O-CB 3.27Å; G499-F503 PolarHBondContact O-N 3.12Å; G500-F503 WeakPolarHBondContact O-CB 3.24Å; G500-F503 PolarHBondContact O-N 3.38Å; I501-F503 PolarHBondContact O-N 3.49Å; F503-M505 VanDerWaalsContact C-N 3.31Å; F503-M505 PolarHBondContact O-N 2.76Å; F503-F507 HydrophobicContact CD2-CB 3.67Å; F503-F507 HydrophobicContact CD2-CD1 4.25Å; F503-F507 HydrophobicContact CD2-CG 4.12Å; F503-F507 HydrophobicContact CE2-CB 3.85Å; F503-F507 AromaticContact CE2-CD1 3.56Å; F503-F507 HydrophobicContact CE2-CD1 3.56Å; F503-F507 HydrophobicContact CE2-CE1 4.25Å; F503-F507 AromaticContact CE2-CG 3.76Å; F503-F507 HydrophobicContact CE2-CG 3.76Å; F503-F507 HydrophobicContact CZ-CD1 4.19Å; F503-F507 WeakPolarHBondContact O-CA 3.26Å; F503-F507 VanDerWaalsContact O-CB 3.23Å; F503-F507 WeakPolarHBondContact O-CB 3.37Å; F503-F507 PolarHBondContact O-N 2.92Å; F503-G508 PolarHBondContact O-N 2.93Å |
| 504 | N | 88.8 | Confident | 89.5 | Confident | 5 Ų | 5 | 11.3 Ų | 11.3 | 3% | 0.027 | 6% | 0.061 | C | C | . | . | I | π-helix | trans | -61.4 | -40.8 | 178.9 | -68.8 | -1.3 | 0 | 0 | 0 | 111.9 | G148 D151 I152 L172 G500 I501 G508 V509 | G148-N504 WeakPolarHBondContact CA-OD1 3.31Å; G148-N504 PolarHBondContact O-OD1 2.9Å; D151-N504 WeakPolarHBondContact CB-ND2 3.43Å; D151-N504 PolarHBondContact OD2-ND2 2.87Å; I152-N504 WeakPolarHBondContact CG1-OD1 3.41Å; L172-N504 HydrophobicContact CD2-CB 4.18Å; G500-N504 VanDerWaalsContact O-CG 3.32Å; G500-N504 PolarHBondContact O-N 3.4Å; G500-N504 PolarHBondContact O-OD1 3.28Å; I501-N504 PolarHBondContact O-N 3.45Å; N504-G508 WeakPolarHBondContact O-CA 3.35Å; N504-G508 PolarHBondContact O-N 3.39Å; N504-V509 PolarHBondContact O-N 2.72Å |
| 505 | M | 89.8 | Confident | 89.2 | Confident | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | I | π-helix | trans | -69.6 | -64.1 | 178.6 | -170 | 63.2 | 77.6 | 0 | 0 | 110.3 | L172 F173 A210 T214 Y231 I501 F503 V509 | L172-M505 HydrophobicContact CB-CE 3.97Å; L172-M505 HydrophobicContact CB-SD 4.44Å; F173-M505 HydrophobicContact CD1-CE 3.58Å; F173-M505 HydrophobicContact CE1-CE 3.78Å; F173-M505 HydrophobicContact CE1-SD 4.5Å; A210-M505 HydrophobicContact CB-CG 4.35Å; T214-M505 HydrophobicContact CG2-SD 4.1Å; Y231-M505 VanDerWaalsContact CE1-O 3.25Å; Y231-M505 WeakPolarHBondContact CE1-O 3.32Å; Y231-M505 VanDerWaalsContact OH-CG 3.29Å; Y231-M505 WeakPolarHBondContact OH-CG 3.33Å; Y231-M505 PolarHBondContact OH-O 3.21Å; I501-M505 WeakPolarHBondContact O-CB 3.46Å; I501-M505 PolarHBondContact O-N 3.29Å; F503-M505 VanDerWaalsContact C-N 3.31Å; F503-M505 PolarHBondContact O-N 2.76Å; M505-V509 WeakPolarHBondContact O-CB 3.33Å; M505-V509 VanDerWaalsContact O-CG2 3.29Å; M505-V509 WeakPolarHBondContact O-CG2 3.42Å; M505-V509 PolarHBondContact O-N 3.35Å; M505-V509 VanDerWaalsContact O-N 3.16Å; M505-V509 HydrophobicContact SD-CG2 4.26Å |
| 506 | L | 92.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | I | π-helix | trans | -69.3 | -50.3 | -173.3 | -66.2 | 179.2 | 0 | 0 | 0 | 113.7 | A210 Y231 L234 Y235 I502 G510 | A210-L506 HydrophobicContact CB-CD1 4.47Å; A210-L506 HydrophobicContact CB-CD2 3.5Å; A210-L506 HydrophobicContact CB-CG 3.94Å; Y231-L506 HydrophobicContact CD1-CD2 4.14Å; Y231-L506 WeakPolarHBondContact CD1-O 3.29Å; Y231-L506 HydrophobicContact CD2-CD2 4.01Å; Y231-L506 HydrophobicContact CE1-CB 4.36Å; Y231-L506 HydrophobicContact CE1-CD2 3.88Å; Y231-L506 WeakPolarHBondContact CE1-O 3.44Å; Y231-L506 HydrophobicContact CE2-CD2 3.72Å; Y231-L506 HydrophobicContact CG-CD2 4.2Å; L234-L506 HydrophobicContact CD2-CD1 4.3Å; L234-L506 HydrophobicContact CD2-CD2 3.87Å; L234-L506 HydrophobicContact CG-CD1 4.07Å; L234-L506 HydrophobicContact CG-CD2 4.38Å; Y235-L506 HydrophobicContact CD2-CB 4.22Å; Y235-L506 HydrophobicContact CD2-CD1 4.5Å; Y235-L506 HydrophobicContact CG-CB 4.42Å; I502-L506 HydrophobicContact CG2-CD1 3.72Å; I502-L506 HydrophobicContact CG2-CG 4.28Å; I502-L506 VanDerWaalsContact O-CB 3.3Å; I502-L506 WeakPolarHBondContact O-CB 3.35Å; I502-L506 PolarHBondContact O-N 2.99Å; L506-G510 WeakPolarHBondContact O-CA 3.4Å; L506-G510 PolarHBondContact O-N 3.09Å |
| 507 | F | 89.6 | Confident | 88.7 | Confident | 64 Ų | 64 | 14.3 Ų | 14.3 | 28% | 0.281 | 8% | 0.076 | S | C | . | . | I | π-helix | trans | -81.3 | -42.9 | -176.6 | -172.8 | -96.4 | 0 | 0 | 0 | 111.3 | I152 L232 Y235 F503 L511 | I152-F507 HydrophobicContact CD1-CD1 4.09Å; I152-F507 HydrophobicContact CG2-CD1 4.13Å; I152-F507 HydrophobicContact CG2-CE1 4.33Å; L232-F507 HydrophobicContact CD2-CD2 4.14Å; Y235-F507 HydrophobicContact CD1-CB 4.23Å; Y235-F507 AromaticContact CD1-CD2 3.96Å; Y235-F507 HydrophobicContact CD1-CD2 3.96Å; Y235-F507 HydrophobicContact CD1-CG 4.49Å; Y235-F507 HydrophobicContact CD2-CB 4.43Å; Y235-F507 HydrophobicContact CE1-CB 4.34Å; Y235-F507 HydrophobicContact CE1-CD2 4.07Å; Y235-F507 HydrophobicContact CE1-CG 4.43Å; Y235-F507 HydrophobicContact CG-CB 4.27Å; F503-F507 HydrophobicContact CD2-CB 3.67Å; F503-F507 HydrophobicContact CD2-CD1 4.25Å; F503-F507 HydrophobicContact CD2-CG 4.12Å; F503-F507 HydrophobicContact CE2-CB 3.85Å; F503-F507 AromaticContact CE2-CD1 3.56Å; F503-F507 HydrophobicContact CE2-CD1 3.56Å; F503-F507 HydrophobicContact CE2-CE1 4.25Å; F503-F507 AromaticContact CE2-CG 3.76Å; F503-F507 HydrophobicContact CE2-CG 3.76Å; F503-F507 HydrophobicContact CZ-CD1 4.19Å; F503-F507 WeakPolarHBondContact O-CA 3.26Å; F503-F507 VanDerWaalsContact O-CB 3.23Å; F503-F507 WeakPolarHBondContact O-CB 3.37Å; F503-F507 PolarHBondContact O-N 2.92Å; F507-L511 HydrophobicContact CE1-CD2 3.87Å; F507-L511 HydrophobicContact CZ-CD2 3.98Å; F507-L511 WeakPolarHBondContact O-CB 3.48Å; F507-L511 PolarHBondContact O-N 3.44Å |
| 508 | G | 87.3 | Confident | 88.3 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | I | π-helix | trans | -63.9 | -53.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F503 N504 G512 | F503-G508 PolarHBondContact O-N 2.93Å; N504-G508 WeakPolarHBondContact O-CA 3.35Å; N504-G508 PolarHBondContact O-N 3.39Å; G508-G512 PolarHBondContact O-N 3.07Å |
| 509 | V | 88.3 | Confident | 87.7 | Confident | 7 Ų | 7 | 26 Ų | 26 | 4% | 0.042 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -66.2 | -43 | 176.8 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | I159 V169 L172 Y231 N504 M505 L511 G512 C513 | I159-V509 HydrophobicContact CD1-CB 4.19Å; I159-V509 HydrophobicContact CD1-CG1 4.25Å; I159-V509 HydrophobicContact CD1-CG2 4Å; V169-V509 HydrophobicContact CG2-CG1 4.25Å; V169-V509 HydrophobicContact CG2-CG2 4.36Å; L172-V509 HydrophobicContact CD1-CG2 3.21Å; Y231-V509 HydrophobicContact CE1-CB 3.96Å; Y231-V509 HydrophobicContact CE1-CG1 4.35Å; N504-V509 PolarHBondContact O-N 2.72Å; M505-V509 WeakPolarHBondContact O-CB 3.33Å; M505-V509 VanDerWaalsContact O-CG2 3.29Å; M505-V509 WeakPolarHBondContact O-CG2 3.42Å; M505-V509 PolarHBondContact O-N 3.35Å; M505-V509 VanDerWaalsContact O-N 3.16Å; M505-V509 HydrophobicContact SD-CG2 4.26Å; V509-L511 PolarHBondContact O-N 3.23Å; V509-G512 PolarHBondContact O-N 3.37Å; V509-C513 WeakPolarHBondContact O-CB 3.4Å; V509-C513 PolarHBondContact O-N 3.44Å; V509-C513 PolarHBondContact O-SG 2.93Å |
| 510 | G | 90.3 | Very high | 86.8 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.2 | -46.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I228 L506 L514 | I228-G510 VanDerWaalsContact CG2-O 3.29Å; I228-G510 WeakPolarHBondContact CG2-O 3.3Å; L506-G510 WeakPolarHBondContact O-CA 3.4Å; L506-G510 PolarHBondContact O-N 3.09Å; G510-L514 WeakPolarHBondContact O-CB 3.23Å; G510-L514 PolarHBondContact O-N 3.2Å; G510-L514 VanDerWaalsContact O-N 3.11Å |
| 511 | L | 88.9 | Confident | 85.6 | Confident | 46 Ų | 46 | 36.9 Ų | 36.9 | 24% | 0.241 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -72.3 | -39.9 | 178.6 | -170.5 | 63.6 | 0 | 0 | 0 | 111.8 | M156 F507 V509 C513 L514 V515 | M156-L511 HydrophobicContact SD-CD2 3.63Å; M156-L511 HydrophobicContact SD-CG 3.78Å; F507-L511 HydrophobicContact CE1-CD2 3.87Å; F507-L511 HydrophobicContact CZ-CD2 3.98Å; F507-L511 WeakPolarHBondContact O-CB 3.48Å; F507-L511 PolarHBondContact O-N 3.44Å; V509-L511 PolarHBondContact O-N 3.23Å; L511-C513 PolarHBondContact O-N 3.33Å; L511-L514 HydrophobicContact CD1-CD2 4.37Å; L511-L514 WeakPolarHBondContact O-CB 3.38Å; L511-L514 PolarHBondContact O-N 3.47Å; L511-V515 WeakPolarHBondContact O-CG2 3.48Å; L511-V515 PolarHBondContact O-N 3.07Å |
| 512 | G | 87.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.3 | -49.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G508 V509 L514 V515 Q516 | G508-G512 PolarHBondContact O-N 3.07Å; V509-G512 PolarHBondContact O-N 3.37Å; G512-L514 VanDerWaalsContact C-N 3.31Å; G512-L514 PolarHBondContact O-N 3.39Å; G512-V515 PolarHBondContact O-N 3.33Å; G512-Q516 PolarHBondContact O-N 2.97Å |
| 513 | C | 87.3 | Confident | 83 | Confident | 4 Ų | 4 | 46.4 Ų | 46.4 | 3% | 0.027 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.3 | -35.8 | 177.3 | -62.6 | 0 | 0 | 0 | 0 | 112 | I228 V509 L511 M517 V524 | I228-C513 HydrophobicContact CD1-CB 3.61Å; I228-C513 HydrophobicContact CG1-CB 3.77Å; I228-C513 HydrophobicContact CG2-CB 4.34Å; V509-C513 WeakPolarHBondContact O-CB 3.4Å; V509-C513 PolarHBondContact O-N 3.44Å; V509-C513 PolarHBondContact O-SG 2.93Å; L511-C513 PolarHBondContact O-N 3.33Å; C513-M517 VanDerWaalsContact O-CB 3.32Å; C513-M517 WeakPolarHBondContact O-CB 3.34Å; C513-M517 PolarHBondContact O-N 3.23Å; C513-V524 HydrophobicContact CB-CG2 4.39Å |
| 514 | L | 89 | Confident | 82 | Confident | 54 Ų | 54 | 45.8 Ų | 45.8 | 28% | 0.283 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.2 | -43.5 | 177.2 | -173.2 | 66.2 | 0 | 0 | 0 | 111.6 | L225 I228 L232 G510 L511 G512 M517 Y518 | L225-L514 HydrophobicContact CD1-CD1 4.21Å; I228-L514 HydrophobicContact CG2-CB 3.96Å; I228-L514 HydrophobicContact CG2-CD1 4.31Å; L232-L514 HydrophobicContact CD1-CD2 4.09Å; G510-L514 WeakPolarHBondContact O-CB 3.23Å; G510-L514 PolarHBondContact O-N 3.2Å; G510-L514 VanDerWaalsContact O-N 3.11Å; L511-L514 HydrophobicContact CD1-CD2 4.37Å; L511-L514 WeakPolarHBondContact O-CB 3.38Å; L511-L514 PolarHBondContact O-N 3.47Å; G512-L514 VanDerWaalsContact C-N 3.31Å; G512-L514 PolarHBondContact O-N 3.39Å; L514-M517 HydrophobicContact CD1-CE 3.8Å; L514-M517 PolarHBondContact O-N 3.2Å; L514-Y518 PolarHBondContact O-N 3.07Å |
| 515 | V | 84.9 | Confident | 81.2 | Confident | 51 Ų | 51 | 50 Ų | 50 | 31% | 0.309 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.1 | -48.4 | 176.4 | 170.5 | 0 | 0 | 0 | 0 | 110.3 | M156 L511 G512 M517 Y518 D519 | M156-V515 HydrophobicContact CG-CG2 4.36Å; M156-V515 HydrophobicContact SD-CG2 4.13Å; L511-V515 WeakPolarHBondContact O-CG2 3.48Å; L511-V515 PolarHBondContact O-N 3.07Å; G512-V515 PolarHBondContact O-N 3.33Å; V515-M517 VanDerWaalsContact C-N 3.31Å; V515-M517 PolarHBondContact O-N 3.34Å; V515-Y518 WeakPolarHBondContact O-CB 3.45Å; V515-Y518 PolarHBondContact O-N 3.09Å; V515-Y518 VanDerWaalsContact O-N 3.15Å; V515-D519 PolarHBondContact O-N 3.28Å; V515-D519 VanDerWaalsContact O-N 3.11Å |
| 516 | Q | 83.1 | Confident | 80.3 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.9 | -43.1 | 178.8 | -172.4 | 175 | 28.5 | 0 | 0 | 113.3 | I159 P162 G512 Y518 D519 T520 V524 | I159-Q516 PolarHBondContact O-NE2 3.2Å; I159-Q516 PolarHBondContact O-OE1 3.26Å; I159-Q516 VanDerWaalsContact O-OE1 3.05Å; P162-Q516 VanDerWaalsContact N-NE2 3.11Å; G512-Q516 PolarHBondContact O-N 2.97Å; Q516-Y518 VanDerWaalsContact C-N 3.34Å; Q516-D519 PolarHBondContact O-N 3.04Å; Q516-T520 WeakPolarHBondContact O-CB 3.4Å; Q516-T520 PolarHBondContact O-N 3.39Å; Q516-T520 PolarHBondContact O-OG1 3.38Å; Q516-V524 HydrophobicContact CB-CG2 4.27Å; Q516-V524 HydrophobicContact CG-CG2 4.21Å; Q516-V524 VanDerWaalsContact OE1-CG2 3.29Å |
| 517 | M | 83.6 | Confident | 79.1 | Confident | 27 Ų | 27 | 54.4 Ų | 54.4 | 13% | 0.133 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.8 | -31.5 | 179.7 | -178.1 | 174 | 44.7 | 0 | 0 | 112.3 | L225 I228 C513 L514 V515 D519 H521 V524 | L225-M517 HydrophobicContact CB-CE 3.98Å; L225-M517 HydrophobicContact CB-SD 3.63Å; L225-M517 HydrophobicContact CD1-CE 3.22Å; L225-M517 HydrophobicContact CD1-SD 3.98Å; L225-M517 HydrophobicContact CG-CE 4.15Å; L225-M517 HydrophobicContact CG-SD 4.34Å; I228-M517 HydrophobicContact CD1-CE 3.45Å; I228-M517 VanDerWaalsContact CD1-CE 3.45Å; I228-M517 HydrophobicContact CD1-SD 4.01Å; C513-M517 VanDerWaalsContact O-CB 3.32Å; C513-M517 WeakPolarHBondContact O-CB 3.34Å; C513-M517 PolarHBondContact O-N 3.23Å; L514-M517 HydrophobicContact CD1-CE 3.8Å; L514-M517 PolarHBondContact O-N 3.2Å; V515-M517 VanDerWaalsContact C-N 3.31Å; V515-M517 PolarHBondContact O-N 3.34Å; M517-D519 VanDerWaalsContact C-N 3.32Å; M517-H521 WeakPolarHBondContact O-CA 3.42Å; M517-H521 PolarHBondContact O-N 3.32Å; M517-V524 HydrophobicContact CB-CG2 4.45Å |
| 518 | Y | 83.6 | Confident | 77.6 | Confident | 149 Ų | 149 | 53.8 Ų | 53.8 | 58% | 0.584 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -62.9 | -41.9 | 171.9 | -176.8 | -96.9 | 0 | 0 | 0 | 111.1 | M1 L514 V515 Q516 | M1-Y518 HydrophobicContact CE-CE1 4.4Å; M1-Y518 HydrophobicContact SD-CD1 4.44Å; M1-Y518 HydrophobicContact SD-CE1 3.76Å; L514-Y518 PolarHBondContact O-N 3.07Å; V515-Y518 WeakPolarHBondContact O-CB 3.45Å; V515-Y518 PolarHBondContact O-N 3.09Å; V515-Y518 VanDerWaalsContact O-N 3.15Å; Q516-Y518 VanDerWaalsContact C-N 3.34Å |
| 519 | D | 76.9 | Confident | 76.3 | Confident | 103 Ų | 103 | 58.7 Ų | 58.7 | 55% | 0.551 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -77.7 | -35 | -178 | -69.1 | -21.7 | 0 | 0 | 0 | 113.1 | V515 Q516 M517 | V515-D519 PolarHBondContact O-N 3.28Å; V515-D519 VanDerWaalsContact O-N 3.11Å; Q516-D519 PolarHBondContact O-N 3.04Å; M517-D519 VanDerWaalsContact C-N 3.32Å |
| 520 | T | 70.1 | Confident | 75.4 | Confident | 69 Ų | 69 | 60.4 Ų | 60.4 | 42% | 0.423 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -100.1 | -8.5 | -171.7 | -38.3 | 0 | 0 | 0 | 0 | 113.4 | Q516 S522 | Q516-T520 WeakPolarHBondContact O-CB 3.4Å; Q516-T520 PolarHBondContact O-N 3.39Å; Q516-T520 PolarHBondContact O-OG1 3.38Å; T520-S522 WeakPolarHBondContact O-CB 3.34Å; T520-S522 PolarHBondContact O-N 3.01Å; T520-S522 PolarHBondContact O-OG 3.41Å; T520-S522 VanDerWaalsContact O-OG 3.08Å |
| 521 | H | 63.3 | Low | 74.8 | Confident | 167 Ų | 167 | 64 Ų | 64 | 77% | 0.773 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 48.4 | 18.5 | -176.3 | -70.6 | -55.5 | 0 | 0 | 0 | 115.5 | M517 | M517-H521 WeakPolarHBondContact O-CA 3.42Å; M517-H521 PolarHBondContact O-N 3.32Å |
| 522 | S | 62.7 | Low | 74.2 | Confident | 64 Ų | 64 | 62.4 Ų | 62.4 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -137.2 | 170.4 | -172 | -58.8 | 0 | 0 | 0 | 0 | 110.6 | T520 | T520-S522 WeakPolarHBondContact O-CB 3.34Å; T520-S522 PolarHBondContact O-N 3.01Å; T520-S522 PolarHBondContact O-OG 3.41Å; T520-S522 VanDerWaalsContact O-OG 3.08Å |
| 523 | Y | 66.1 | Low | 73.9 | Confident | 142 Ų | 142 | 62.6 Ų | 62.6 | 56% | 0.557 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 142.4 | 176.7 | 54.5 | -83.8 | 0 | 0 | 0 | 111.2 | T222 Q525 | T222-Y523 HydrophobicContact CG2-CD2 3.93Å; T222-Y523 HydrophobicContact CG2-CE2 4.24Å; Y523-Q525 HydrophobicContact CD2-CG 3.7Å; Y523-Q525 HydrophobicContact CE2-CG 3.4Å; Y523-Q525 PolarHBondContact O-N 2.77Å |
| 524 | V | 69.9 | Low | 73.8 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 119.9 | 174.4 | 173.8 | 0 | 0 | 0 | 0 | 108.2 | T222 T223 I228 C513 Q516 M517 F526 | T222-V524 WeakPolarHBondContact CA-O 3.46Å; T223-V524 PolarHBondContact N-O 2.95Å; T223-V524 VanDerWaalsContact N-O 3.08Å; T223-V524 PolarHBondContact O-N 3.27Å; I228-V524 HydrophobicContact CD1-CG2 4.5Å; C513-V524 HydrophobicContact CB-CG2 4.39Å; Q516-V524 HydrophobicContact CB-CG2 4.27Å; Q516-V524 HydrophobicContact CG-CG2 4.21Å; Q516-V524 VanDerWaalsContact OE1-CG2 3.29Å; M517-V524 HydrophobicContact CB-CG2 4.45Å; V524-F526 HydrophobicContact CB-CE2 4.26Å; V524-F526 HydrophobicContact CG1-CD2 4.07Å; V524-F526 HydrophobicContact CG1-CE1 4.48Å; V524-F526 HydrophobicContact CG1-CE2 3.56Å; V524-F526 HydrophobicContact CG1-CZ 3.81Å |
| 525 | Q | 70.3 | Confident | 73.7 | Confident | 94 Ų | 94 | 65.5 Ų | 65.5 | 44% | 0.439 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 133 | 170.3 | -71.4 | -167.3 | -41.1 | 0 | 0 | 109.8 | G221 Y523 | G221-Q525 WeakPolarHBondContact O-CA 3.43Å; Y523-Q525 HydrophobicContact CD2-CG 3.7Å; Y523-Q525 HydrophobicContact CE2-CG 3.4Å; Y523-Q525 PolarHBondContact O-N 2.77Å |
| 526 | F | 72.1 | Confident | 73.8 | Confident | 9 Ų | 9 | 63.1 Ų | 63.1 | 4% | 0.039 | 32% | 0.317 | C | S | . | . | trans | -106.6 | 106.5 | 170.9 | -70.3 | -88.4 | 0 | 0 | 0 | 108 | A165 V169 I217 L218 G221 T223 V524 S528 | A165-F526 HydrophobicContact CB-CD1 4.11Å; A165-F526 HydrophobicContact CB-CE1 4.07Å; V169-F526 HydrophobicContact CG2-CD1 4.44Å; V169-F526 HydrophobicContact CG2-CE1 3.87Å; I217-F526 HydrophobicContact CG2-CD2 3.82Å; I217-F526 HydrophobicContact CG2-CE2 3.51Å; I217-F526 HydrophobicContact CG2-CG 4.48Å; I217-F526 HydrophobicContact CG2-CZ 3.93Å; L218-F526 HydrophobicContact CD2-CB 4.1Å; L218-F526 HydrophobicContact CD2-CD1 3.85Å; L218-F526 HydrophobicContact CD2-CG 4.12Å; G221-F526 PolarHBondContact O-N 2.97Å; T223-F526 VanDerWaalsContact OG1-CE2 3.28Å; T223-F526 WeakPolarHBondContact OG1-CE2 3.4Å; V524-F526 HydrophobicContact CB-CE2 4.26Å; V524-F526 HydrophobicContact CG1-CD2 4.07Å; V524-F526 HydrophobicContact CG1-CE1 4.48Å; V524-F526 HydrophobicContact CG1-CE2 3.56Å; V524-F526 HydrophobicContact CG1-CZ 3.81Å; F526-S528 PolarHBondContact O-N 3.16Å | ||
| 527 | E | 66.4 | Low | 74.1 | Confident | 86 Ų | 86 | 63.1 Ų | 63.1 | 40% | 0.402 | 32% | 0.318 | S | S | . | . | trans | -77.2 | 101.6 | 165.7 | -70.6 | -179.6 | 154.8 | 0 | 0 | 107.3 | H163 E529 | H163-E527 IonicContact CE1-OE2 3.87Å; H163-E527 IonicContact CG-OE2 3.9Å; H163-E527 IonicContact ND1-OE1 3.99Å; H163-E527 IonicContact ND1-OE2 2.93Å; H163-E527 PolarHBondContact ND1-OE2 3.26Å; E527-E529 PolarHBondContact O-N 2.85Å; E527-E529 VanDerWaalsContact O-N 3.08Å | ||
| 528 | S | 59.2 | Low | 74.5 | Confident | 51 Ų | 51 | 63.9 Ų | 63.9 | 36% | 0.357 | 33% | 0.332 | S | S | . | . | trans | -76.6 | 93.7 | 174.5 | 69.8 | 0 | 0 | 0 | 0 | 108.9 | F526 G530 | F526-S528 PolarHBondContact O-N 3.16Å; S528-G530 PolarHBondContact O-N 3.5Å | ||
| 529 | E | 59.5 | Low | 74.8 | Confident | 103 Ų | 103 | 57.6 Ų | 57.6 | 48% | 0.481 | 31% | 0.311 | S | S | . | . | trans | -76.3 | 117.3 | 172.6 | -66.6 | -166.4 | 169.5 | 0 | 0 | 110.4 | E527 T533 | E527-E529 PolarHBondContact O-N 2.85Å; E527-E529 VanDerWaalsContact O-N 3.08Å; E529-T533 PolarHBondContact O-OG1 3.16Å; E529-T533 VanDerWaalsContact O-OG1 3.04Å | ||
| 530 | G | 69.3 | Low | 75.6 | Confident | 42 Ų | 42 | 52.7 Ų | 52.7 | 43% | 0.433 | 29% | 0.285 | S | S | . | . | trans | 88.6 | 150.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | S528 L532 T533 | S528-G530 PolarHBondContact O-N 3.5Å; G530-L532 PolarHBondContact O-N 3.38Å; G530-T533 PolarHBondContact O-N 2.95Å | ||
| 531 | L | 76.6 | Confident | 76.7 | Confident | 77 Ų | 77 | 50.2 Ų | 50.2 | 40% | 0.403 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.5 | -31.5 | 172.5 | 179.6 | 71.2 | 0 | 0 | 0 | 112.4 | T533 W534 I535 T580 T587 | L531-T533 VanDerWaalsContact C-N 3.33Å; L531-T533 PolarHBondContact O-N 3.29Å; L531-W534 WeakPolarHBondContact O-CB 3.19Å; L531-W534 PolarHBondContact O-N 2.87Å; L531-I535 HydrophobicContact CD2-CD1 4.08Å; L531-I535 HydrophobicContact CG-CD1 3.9Å; L531-I535 HydrophobicContact CG-CG1 4.34Å; L531-I535 PolarHBondContact O-N 3.04Å; L531-I535 VanDerWaalsContact O-N 3.14Å; L531-T580 HydrophobicContact CD2-CG2 4.14Å; L531-T587 HydrophobicContact CD2-CG2 3.5Å |
| 532 | L | 76.9 | Confident | 78.1 | Confident | 12 Ų | 12 | 45 Ų | 45 | 6% | 0.063 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.5 | -38.5 | -175.2 | -170.9 | 60.9 | 0 | 0 | 0 | 112.2 | T462 V463 L466 G530 W534 I535 V536 A577 | T462-L532 HydrophobicContact CG2-CB 4.33Å; T462-L532 HydrophobicContact CG2-CD2 4.26Å; V463-L532 HydrophobicContact CB-CD2 4.34Å; V463-L532 HydrophobicContact CG2-CD2 3.59Å; L466-L532 HydrophobicContact CB-CD2 4.17Å; L466-L532 HydrophobicContact CB-CG 4.49Å; L466-L532 HydrophobicContact CD1-CB 3.87Å; L466-L532 HydrophobicContact CD1-CD2 3.86Å; L466-L532 HydrophobicContact CD1-CG 3.72Å; G530-L532 PolarHBondContact O-N 3.38Å; L532-W534 VanDerWaalsContact C-N 3.27Å; L532-W534 PolarHBondContact O-N 3.25Å; L532-I535 PolarHBondContact O-N 3.15Å; L532-I535 VanDerWaalsContact O-N 3.14Å; L532-V536 HydrophobicContact CD1-CG2 4.32Å; L532-V536 HydrophobicContact CG-CG2 4.2Å; L532-V536 WeakPolarHBondContact O-CG2 3.37Å; L532-V536 PolarHBondContact O-N 3.41Å; L532-A577 HydrophobicContact CD1-CB 3.95Å |
| 533 | T | 82.1 | Confident | 79.6 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.9 | -40.6 | 177.1 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | L218 L466 E529 G530 L531 V536 A537 | L218-T533 HydrophobicContact CD1-CG2 4.23Å; L466-T533 WeakPolarHBondContact CD1-OG1 3.26Å; E529-T533 PolarHBondContact O-OG1 3.16Å; E529-T533 VanDerWaalsContact O-OG1 3.04Å; G530-T533 PolarHBondContact O-N 2.95Å; L531-T533 VanDerWaalsContact C-N 3.33Å; L531-T533 PolarHBondContact O-N 3.29Å; T533-V536 PolarHBondContact O-N 2.91Å; T533-A537 WeakPolarHBondContact O-CB 3.31Å; T533-A537 PolarHBondContact O-N 2.97Å |
| 534 | W | 85.5 | Confident | 81 | Confident | 76 Ų | 76 | 35.2 Ų | 35.2 | 29% | 0.288 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68.5 | -41.6 | 176.4 | -62.3 | 102.8 | 0 | 0 | 0 | 112.5 | F215 L218 Y219 L531 L532 A537 G538 | F215-W534 HydrophobicContact CD2-CE3 4.2Å; F215-W534 AromaticContact CD2-CZ3 3.92Å; F215-W534 HydrophobicContact CD2-CZ3 3.92Å; F215-W534 HydrophobicContact CE1-CZ3 4.28Å; F215-W534 AromaticContact CE2-CE3 3.47Å; F215-W534 HydrophobicContact CE2-CE3 3.47Å; F215-W534 VanDerWaalsContact CE2-CE3 3.47Å; F215-W534 AromaticContact CE2-CZ3 3.41Å; F215-W534 HydrophobicContact CE2-CZ3 3.41Å; F215-W534 VanDerWaalsContact CE2-CZ3 3.41Å; F215-W534 AromaticContact CZ-CE3 3.92Å; F215-W534 HydrophobicContact CZ-CE3 3.92Å; F215-W534 AromaticContact CZ-CZ3 3.59Å; F215-W534 HydrophobicContact CZ-CZ3 3.59Å; L218-W534 HydrophobicContact CB-CH2 4.42Å; Y219-W534 HydrophobicContact CD2-CH2 4.08Å; L531-W534 WeakPolarHBondContact O-CB 3.19Å; L531-W534 PolarHBondContact O-N 2.87Å; L532-W534 VanDerWaalsContact C-N 3.27Å; L532-W534 PolarHBondContact O-N 3.25Å; W534-A537 PolarHBondContact O-N 2.92Å; W534-G538 PolarHBondContact O-N 3.08Å |
| 535 | I | 86.1 | Confident | 82.2 | Confident | 43 Ų | 43 | 38.1 Ų | 38.1 | 22% | 0.221 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 175.7 | -66.5 | 171.1 | 0 | 0 | 0 | 110.2 | L531 L532 G538 A539 I576 T580 | L531-I535 HydrophobicContact CD2-CD1 4.08Å; L531-I535 HydrophobicContact CG-CD1 3.9Å; L531-I535 HydrophobicContact CG-CG1 4.34Å; L531-I535 PolarHBondContact O-N 3.04Å; L531-I535 VanDerWaalsContact O-N 3.14Å; L532-I535 PolarHBondContact O-N 3.15Å; L532-I535 VanDerWaalsContact O-N 3.14Å; I535-G538 PolarHBondContact O-N 2.91Å; I535-A539 VanDerWaalsContact O-CB 3.27Å; I535-A539 WeakPolarHBondContact O-CB 3.31Å; I535-A539 PolarHBondContact O-N 3.21Å; I535-I576 HydrophobicContact CG2-CG2 4.36Å; I535-T580 HydrophobicContact CD1-CG2 4.27Å |
| 536 | V | 87.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.3 | -44.7 | -179.3 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | F173 L466 L532 T533 G538 A539 L540 F573 | F173-V536 HydrophobicContact CB-CG1 3.64Å; L466-V536 HydrophobicContact CB-CG2 4.39Å; L532-V536 HydrophobicContact CD1-CG2 4.32Å; L532-V536 HydrophobicContact CG-CG2 4.2Å; L532-V536 WeakPolarHBondContact O-CG2 3.37Å; L532-V536 PolarHBondContact O-N 3.41Å; T533-V536 PolarHBondContact O-N 2.91Å; V536-G538 PolarHBondContact O-N 3.21Å; V536-A539 PolarHBondContact O-N 3.03Å; V536-L540 WeakPolarHBondContact O-CB 3.47Å; V536-L540 PolarHBondContact O-N 3.46Å; V536-F573 HydrophobicContact CB-CE2 4.35Å; V536-F573 HydrophobicContact CG1-CZ 4.32Å; V536-F573 HydrophobicContact CG2-CE2 3.87Å; V536-F573 HydrophobicContact CG2-CZ 3.9Å |
| 537 | A | 89.6 | Confident | 84.2 | Confident | 4 Ų | 4 | 36.2 Ų | 36.2 | 3% | 0.033 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.6 | -44.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F173 F215 T533 W534 L540 G541 | F173-A537 HydrophobicContact CD2-CB 3.75Å; F173-A537 HydrophobicContact CE2-CB 3.62Å; F173-A537 HydrophobicContact CG-CB 4.35Å; F173-A537 HydrophobicContact CZ-CB 4.14Å; F215-A537 HydrophobicContact CD2-CB 4.09Å; T533-A537 WeakPolarHBondContact O-CB 3.31Å; T533-A537 PolarHBondContact O-N 2.97Å; W534-A537 PolarHBondContact O-N 2.92Å; A537-L540 PolarHBondContact O-N 3.36Å; A537-G541 PolarHBondContact O-N 3.45Å |
| 538 | G | 90 | Very high | 85.5 | Confident | 42 Ų | 42 | 35.8 Ų | 35.8 | 43% | 0.433 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.1 | -39.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | W534 I535 V536 G541 S542 | W534-G538 PolarHBondContact O-N 3.08Å; I535-G538 PolarHBondContact O-N 2.91Å; V536-G538 PolarHBondContact O-N 3.21Å; G538-G541 PolarHBondContact O-N 2.82Å; G538-S542 WeakPolarHBondContact O-CB 3.31Å; G538-S542 PolarHBondContact O-N 3.19Å; G538-S542 PolarHBondContact O-OG 3.21Å |
| 539 | A | 91.3 | Very high | 87.1 | Confident | 18 Ų | 18 | 37.8 Ų | 37.8 | 15% | 0.149 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.2 | -42.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | I177 I535 V536 S542 S543 F573 | I177-A539 HydrophobicContact CD1-CB 3.56Å; I535-A539 VanDerWaalsContact O-CB 3.27Å; I535-A539 WeakPolarHBondContact O-CB 3.31Å; I535-A539 PolarHBondContact O-N 3.21Å; V536-A539 PolarHBondContact O-N 3.03Å; A539-S542 WeakPolarHBondContact CA-OG 3.21Å; A539-S542 PolarHBondContact O-OG 3.38Å; A539-S543 WeakPolarHBondContact O-CB 3.33Å; A539-S543 PolarHBondContact O-N 3.1Å; A539-F573 HydrophobicContact CB-CD2 3.47Å; A539-F573 VanDerWaalsContact CB-CD2 3.47Å; A539-F573 HydrophobicContact CB-CE2 3.97Å; A539-F573 HydrophobicContact CB-CG 4.25Å |
| 540 | L | 93.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.3 | -52 | 173.7 | 173.2 | 60 | 0 | 0 | 0 | 111.4 | F173 I177 Y207 V211 V536 A537 S542 S543 L544 | F173-L540 HydrophobicContact CB-CD2 4.24Å; F173-L540 HydrophobicContact CD1-CD2 3.58Å; F173-L540 HydrophobicContact CE1-CD2 4.37Å; F173-L540 HydrophobicContact CG-CD2 4.32Å; I177-L540 HydrophobicContact CB-CB 4.41Å; I177-L540 HydrophobicContact CB-CD1 4.44Å; Y207-L540 HydrophobicContact CE1-CD1 4Å; Y207-L540 WeakPolarHBondContact OH-CD1 3.36Å; Y207-L540 VanDerWaalsContact OH-CD2 3.23Å; Y207-L540 WeakPolarHBondContact OH-CD2 3.45Å; V211-L540 HydrophobicContact CG1-CD2 4.16Å; V211-L540 HydrophobicContact CG1-CG 4.41Å; V211-L540 HydrophobicContact CG2-CD2 3.71Å; V211-L540 HydrophobicContact CG2-CG 4.22Å; V536-L540 WeakPolarHBondContact O-CB 3.47Å; V536-L540 PolarHBondContact O-N 3.46Å; A537-L540 PolarHBondContact O-N 3.36Å; L540-S542 VanDerWaalsContact C-N 3.33Å; L540-S542 PolarHBondContact O-N 3.28Å; L540-S543 PolarHBondContact O-N 3.4Å; L540-S543 VanDerWaalsContact O-N 3.16Å; L540-S543 PolarHBondContact O-OG 2.86Å; L540-L544 HydrophobicContact CD1-CD1 4.17Å; L540-L544 HydrophobicContact CD1-CG 4.21Å; L540-L544 HydrophobicContact CG-CD1 4.34Å; L540-L544 WeakPolarHBondContact O-CG 3.22Å; L540-L544 PolarHBondContact O-N 3.29Å; L540-L544 VanDerWaalsContact O-N 3.08Å |
| 541 | G | 93.4 | Very high | 89.7 | Confident | 17 Ų | 17 | 33.3 Ų | 33.3 | 18% | 0.175 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57 | -45 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A537 G538 L544 V545 | A537-G541 PolarHBondContact O-N 3.45Å; G538-G541 PolarHBondContact O-N 2.82Å; G541-L544 PolarHBondContact O-N 2.96Å; G541-V545 WeakPolarHBondContact O-CG2 3.32Å; G541-V545 PolarHBondContact O-N 2.94Å |
| 542 | S | 92.2 | Very high | 90.5 | Very high | 56 Ų | 56 | 31.6 Ų | 31.6 | 39% | 0.392 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65 | -39.8 | 176.5 | 59.6 | 0 | 0 | 0 | 0 | 112.8 | G538 A539 L540 L544 V545 L546 | G538-S542 WeakPolarHBondContact O-CB 3.31Å; G538-S542 PolarHBondContact O-N 3.19Å; G538-S542 PolarHBondContact O-OG 3.21Å; A539-S542 WeakPolarHBondContact CA-OG 3.21Å; A539-S542 PolarHBondContact O-OG 3.38Å; L540-S542 VanDerWaalsContact C-N 3.33Å; L540-S542 PolarHBondContact O-N 3.28Å; S542-L544 VanDerWaalsContact C-N 3.29Å; S542-L544 PolarHBondContact O-N 3.43Å; S542-V545 PolarHBondContact O-N 3.39Å; S542-L546 WeakPolarHBondContact O-CB 3.31Å; S542-L546 VanDerWaalsContact O-CG 3.26Å; S542-L546 WeakPolarHBondContact O-CG 3.34Å; S542-L546 PolarHBondContact O-N 2.93Å |
| 543 | S | 94.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.007 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.5 | -37.7 | 175.8 | 78.1 | 0 | 0 | 0 | 0 | 112.9 | A539 L540 S547 | A539-S543 WeakPolarHBondContact O-CB 3.33Å; A539-S543 PolarHBondContact O-N 3.1Å; L540-S543 PolarHBondContact O-N 3.4Å; L540-S543 VanDerWaalsContact O-N 3.16Å; L540-S543 PolarHBondContact O-OG 2.86Å; S543-S547 WeakPolarHBondContact O-CB 3.44Å; S543-S547 PolarHBondContact O-N 3.04Å; S543-S547 PolarHBondContact O-OG 3.4Å |
| 544 | L | 94.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -72.2 | -43.2 | 178.1 | -68.8 | 176.2 | 0 | 0 | 0 | 111.8 | T180 Y207 M208 V211 F498 L540 G541 S542 S547 F548 | T180-L544 HydrophobicContact CG2-CD2 4.08Å; Y207-L544 HydrophobicContact CD1-CD1 3.54Å; Y207-L544 HydrophobicContact CD1-CD2 3.47Å; Y207-L544 VanDerWaalsContact CD1-CD2 3.47Å; Y207-L544 HydrophobicContact CD1-CG 4.12Å; Y207-L544 HydrophobicContact CE1-CD1 3.67Å; Y207-L544 HydrophobicContact CE1-CD2 3.72Å; Y207-L544 HydrophobicContact CE1-CG 4.18Å; Y207-L544 HydrophobicContact CG-CD1 4.05Å; M208-L544 HydrophobicContact CG-CB 4.04Å; M208-L544 HydrophobicContact CG-CD1 4.29Å; M208-L544 HydrophobicContact SD-CB 3.26Å; M208-L544 WeakPolarHBondContact SD-CB 3.38Å; M208-L544 HydrophobicContact SD-CD1 3.75Å; M208-L544 HydrophobicContact SD-CG 4.15Å; V211-L544 HydrophobicContact CG2-CD1 4.05Å; F498-L544 HydrophobicContact CE1-CD2 4.08Å; L540-L544 HydrophobicContact CD1-CD1 4.17Å; L540-L544 HydrophobicContact CD1-CG 4.21Å; L540-L544 HydrophobicContact CG-CD1 4.34Å; L540-L544 WeakPolarHBondContact O-CG 3.22Å; L540-L544 PolarHBondContact O-N 3.29Å; L540-L544 VanDerWaalsContact O-N 3.08Å; G541-L544 PolarHBondContact O-N 2.96Å; S542-L544 VanDerWaalsContact C-N 3.29Å; S542-L544 PolarHBondContact O-N 3.43Å; L544-S547 PolarHBondContact O-N 3.24Å; L544-F548 WeakPolarHBondContact O-CB 3.38Å; L544-F548 PolarHBondContact O-N 3.02Å |
| 545 | V | 95.1 | Very high | 91.6 | Very high | 64 Ų | 64 | 43.4 Ų | 43.4 | 39% | 0.388 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 174.3 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | M208 G541 S542 S547 F548 L549 | M208-V545 HydrophobicContact CE-CG2 3.42Å; M208-V545 VanDerWaalsContact CE-CG2 3.42Å; M208-V545 HydrophobicContact SD-CG2 4.2Å; G541-V545 WeakPolarHBondContact O-CG2 3.32Å; G541-V545 PolarHBondContact O-N 2.94Å; S542-V545 PolarHBondContact O-N 3.39Å; V545-S547 VanDerWaalsContact C-N 3.31Å; V545-S547 PolarHBondContact O-N 3.47Å; V545-F548 WeakPolarHBondContact O-CB 3.11Å; V545-F548 PolarHBondContact O-N 3.41Å; V545-L549 HydrophobicContact CG1-CD1 4.2Å; V545-L549 WeakPolarHBondContact O-CG 3.34Å; V545-L549 PolarHBondContact O-N 3.04Å |
| 546 | L | 93.6 | Very high | 91.8 | Very high | 61 Ų | 61 | 43.3 Ų | 43.3 | 32% | 0.319 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.3 | -43.6 | 177.2 | -73.7 | 170.6 | 0 | 0 | 0 | 111.3 | S542 L549 I550 F565 L569 | S542-L546 WeakPolarHBondContact O-CB 3.31Å; S542-L546 VanDerWaalsContact O-CG 3.26Å; S542-L546 WeakPolarHBondContact O-CG 3.34Å; S542-L546 PolarHBondContact O-N 2.93Å; L546-L549 PolarHBondContact O-N 2.84Å; L546-I550 HydrophobicContact CB-CD1 4.33Å; L546-I550 VanDerWaalsContact O-CB 3.31Å; L546-I550 WeakPolarHBondContact O-CB 3.12Å; L546-I550 VanDerWaalsContact O-CG1 3.22Å; L546-I550 WeakPolarHBondContact O-CG1 3.32Å; L546-I550 PolarHBondContact O-N 2.94Å; L546-F565 HydrophobicContact CB-CZ 4.36Å; L546-F565 HydrophobicContact CD1-CZ 4.19Å; L546-L569 HydrophobicContact CD1-CD1 4.16Å; L546-L569 HydrophobicContact CD1-CD2 4.18Å |
| 547 | S | 92 | Very high | 91.9 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.5 | -39 | 176.5 | -63.9 | 0 | 0 | 0 | 0 | 112.6 | S543 L544 V545 L549 V551 Y562 | S543-S547 WeakPolarHBondContact O-CB 3.44Å; S543-S547 PolarHBondContact O-N 3.04Å; S543-S547 PolarHBondContact O-OG 3.4Å; L544-S547 PolarHBondContact O-N 3.24Å; V545-S547 VanDerWaalsContact C-N 3.31Å; V545-S547 PolarHBondContact O-N 3.47Å; S547-L549 VanDerWaalsContact C-N 3.25Å; S547-L549 PolarHBondContact O-N 3.34Å; S547-V551 WeakPolarHBondContact O-CB 3.34Å; S547-V551 VanDerWaalsContact O-CG2 3.31Å; S547-V551 WeakPolarHBondContact O-CG2 3.46Å; S547-V551 PolarHBondContact O-N 3.31Å; S547-V551 VanDerWaalsContact O-N 3.1Å; S547-Y562 VanDerWaalsContact CB-OH 3.31Å; S547-Y562 WeakPolarHBondContact CB-OH 3.45Å; S547-Y562 PolarHBondContact OG-OH 2.92Å |
| 548 | F | 93.6 | Very high | 91.8 | Very high | 78 Ų | 78 | 47.7 Ų | 47.7 | 34% | 0.342 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.9 | -30.9 | 176 | -174.6 | -98.2 | 0 | 0 | 0 | 112.6 | L201 V204 I205 L544 V545 P552 | L201-F548 HydrophobicContact CD2-CD2 3.87Å; L201-F548 HydrophobicContact CD2-CE2 3.55Å; L201-F548 HydrophobicContact CD2-CZ 4.32Å; V204-F548 HydrophobicContact CG1-CB 4.02Å; V204-F548 HydrophobicContact CG1-CD2 3.94Å; V204-F548 HydrophobicContact CG1-CG 4.46Å; I205-F548 HydrophobicContact CD1-CE2 4.04Å; I205-F548 HydrophobicContact CG1-CD2 4.46Å; I205-F548 HydrophobicContact CG1-CE2 3.75Å; L544-F548 WeakPolarHBondContact O-CB 3.38Å; L544-F548 PolarHBondContact O-N 3.02Å; V545-F548 WeakPolarHBondContact O-CB 3.11Å; V545-F548 PolarHBondContact O-N 3.41Å; F548-P552 WeakPolarHBondContact O-CD 3.38Å; F548-P552 WeakPolarHBondContact O-CG 3.21Å |
| 549 | L | 93.5 | Very high | 91.8 | Very high | 93 Ų | 93 | 46.2 Ų | 46.2 | 49% | 0.487 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -86 | -48.9 | 176.8 | -62.7 | 176.2 | 0 | 0 | 0 | 112.2 | V545 L546 S547 P552 L553 | V545-L549 HydrophobicContact CG1-CD1 4.2Å; V545-L549 WeakPolarHBondContact O-CG 3.34Å; V545-L549 PolarHBondContact O-N 3.04Å; L546-L549 PolarHBondContact O-N 2.84Å; S547-L549 VanDerWaalsContact C-N 3.25Å; S547-L549 PolarHBondContact O-N 3.34Å; L549-P552 WeakPolarHBondContact O-CD 3.08Å; L549-L553 WeakPolarHBondContact O-CB 3.45Å; L549-L553 WeakPolarHBondContact O-CD1 3.21Å; L549-L553 WeakPolarHBondContact O-CG 3.18Å; L549-L553 PolarHBondContact O-N 3.44Å |
| 550 | I | 92 | Very high | 91.9 | Very high | 51 Ų | 51 | 52.8 Ų | 52.8 | 26% | 0.262 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.2 | -38.3 | -171.8 | -67.1 | 167.3 | 0 | 0 | 0 | 112 | L546 L553 S554 Y562 F565 | L546-I550 HydrophobicContact CB-CD1 4.33Å; L546-I550 VanDerWaalsContact O-CB 3.31Å; L546-I550 WeakPolarHBondContact O-CB 3.12Å; L546-I550 VanDerWaalsContact O-CG1 3.22Å; L546-I550 WeakPolarHBondContact O-CG1 3.32Å; L546-I550 PolarHBondContact O-N 2.94Å; I550-L553 PolarHBondContact O-N 2.94Å; I550-S554 WeakPolarHBondContact O-CB 3.31Å; I550-S554 PolarHBondContact O-N 3.23Å; I550-S554 PolarHBondContact O-OG 3.21Å; I550-Y562 HydrophobicContact CG2-CD2 3.84Å; I550-Y562 HydrophobicContact CG2-CE2 4.13Å; I550-F565 HydrophobicContact CD1-CD1 4.15Å; I550-F565 HydrophobicContact CD1-CE1 3.44Å; I550-F565 VanDerWaalsContact CD1-CE1 3.44Å; I550-F565 HydrophobicContact CD1-CE2 4.11Å; I550-F565 HydrophobicContact CD1-CZ 3.41Å; I550-F565 VanDerWaalsContact CD1-CZ 3.41Å |
| 551 | V | 91.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.9 | -43.9 | -175.9 | 175.2 | 0 | 0 | 0 | 0 | 112.4 | F200 S547 S554 F556 L558 Y562 | F200-V551 HydrophobicContact CD1-CB 4.48Å; F200-V551 HydrophobicContact CD1-CG1 3.9Å; F200-V551 HydrophobicContact CE1-CB 3.62Å; F200-V551 HydrophobicContact CE1-CG1 3.48Å; F200-V551 VanDerWaalsContact CE1-CG1 3.48Å; F200-V551 HydrophobicContact CE1-CG2 3.96Å; F200-V551 HydrophobicContact CZ-CB 3.91Å; F200-V551 HydrophobicContact CZ-CG1 3.88Å; F200-V551 HydrophobicContact CZ-CG2 3.69Å; S547-V551 WeakPolarHBondContact O-CB 3.34Å; S547-V551 VanDerWaalsContact O-CG2 3.31Å; S547-V551 WeakPolarHBondContact O-CG2 3.46Å; S547-V551 PolarHBondContact O-N 3.31Å; S547-V551 VanDerWaalsContact O-N 3.1Å; V551-S554 WeakPolarHBondContact CA-OG 3.4Å; V551-S554 PolarHBondContact O-N 2.79Å; V551-S554 PolarHBondContact O-OG 3.18Å; V551-F556 HydrophobicContact CG1-CD1 3.94Å; V551-F556 WeakPolarHBondContact O-CA 3.45Å; V551-F556 PolarHBondContact O-N 3.03Å; V551-L558 HydrophobicContact CG1-CD1 3.88Å; V551-L558 HydrophobicContact CG2-CD1 4.47Å; V551-Y562 HydrophobicContact CG2-CE1 4.09Å; V551-Y562 HydrophobicContact CG2-CE2 3.84Å |
| 552 | P | 91.8 | Very high | 91.8 | Very high | 40 Ų | 40 | 58.2 Ų | 58.2 | 26% | 0.26 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 171.1 | -26.6 | 38.1 | 0 | 0 | 0 | 113.5 | L201 F548 L549 S554 Q555 F556 | L201-P552 HydrophobicContact CD2-CG 4.07Å; F548-P552 WeakPolarHBondContact O-CD 3.38Å; F548-P552 WeakPolarHBondContact O-CG 3.21Å; L549-P552 WeakPolarHBondContact O-CD 3.08Å; P552-S554 PolarHBondContact O-N 3.45Å; P552-Q555 PolarHBondContact O-N 3.01Å; P552-F556 HydrophobicContact CB-CZ 4.12Å; P552-F556 HydrophobicContact CG-CE1 4.24Å; P552-F556 HydrophobicContact CG-CZ 4.14Å |
| 553 | L | 90.3 | Very high | 91.8 | Very high | 141 Ų | 141 | 55.6 Ų | 55.6 | 74% | 0.738 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.9 | -33.3 | 176.6 | -72.3 | 172.2 | 0 | 0 | 0 | 112.1 | L549 I550 Q555 | L549-L553 WeakPolarHBondContact O-CB 3.45Å; L549-L553 WeakPolarHBondContact O-CD1 3.21Å; L549-L553 WeakPolarHBondContact O-CG 3.18Å; L549-L553 PolarHBondContact O-N 3.44Å; I550-L553 PolarHBondContact O-N 2.94Å; L553-Q555 PolarHBondContact O-N 3.21Å |
| 554 | S | 88.5 | Confident | 91.9 | Very high | 44 Ų | 44 | 59.2 Ų | 59.2 | 31% | 0.308 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 17.7 | 173.8 | 55.2 | 0 | 0 | 0 | 0 | 114 | I550 V551 P552 F556 H557 | I550-S554 WeakPolarHBondContact O-CB 3.31Å; I550-S554 PolarHBondContact O-N 3.23Å; I550-S554 PolarHBondContact O-OG 3.21Å; V551-S554 WeakPolarHBondContact CA-OG 3.4Å; V551-S554 PolarHBondContact O-N 2.79Å; V551-S554 PolarHBondContact O-OG 3.18Å; P552-S554 PolarHBondContact O-N 3.45Å; S554-F556 PolarHBondContact O-N 3.24Å; S554-H557 WeakPolarHBondContact O-CB 3.37Å; S554-H557 PolarHBondContact O-N 3.26Å |
| 555 | Q | 89.1 | Confident | 91.9 | Very high | 156 Ų | 156 | 62.6 Ų | 62.6 | 73% | 0.729 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 35.6 | 178.9 | -60.1 | -65.4 | -52.7 | 0 | 0 | 112.9 | P552 L553 H557 | P552-Q555 PolarHBondContact O-N 3.01Å; L553-Q555 PolarHBondContact O-N 3.21Å; Q555-H557 PolarHBondContact O-N 2.87Å; Q555-H557 VanDerWaalsContact O-N 3.17Å |
| 556 | F | 89.8 | Confident | 91.9 | Very high | 41 Ų | 41 | 59.6 Ų | 59.6 | 18% | 0.18 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 21 | -177.3 | -56.5 | -87.4 | 0 | 0 | 0 | 114.4 | T194 V195 S197 L201 V551 P552 S554 | T194-F556 WeakPolarHBondContact CA-O 3.43Å; V195-F556 PolarHBondContact N-O 3.04Å; S197-F556 VanDerWaalsContact CA-CD1 3.49Å; S197-F556 VanDerWaalsContact CA-CE1 3.47Å; S197-F556 VanDerWaalsContact CB-CE1 3.41Å; S197-F556 VanDerWaalsContact CB-CE2 3.47Å; L201-F556 HydrophobicContact CD1-CE1 4.14Å; L201-F556 HydrophobicContact CD1-CZ 3.95Å; L201-F556 HydrophobicContact CD2-CE1 4.5Å; L201-F556 HydrophobicContact CG-CE1 4.03Å; L201-F556 HydrophobicContact CG-CZ 4.34Å; V551-F556 HydrophobicContact CG1-CD1 3.94Å; V551-F556 WeakPolarHBondContact O-CA 3.45Å; V551-F556 PolarHBondContact O-N 3.03Å; P552-F556 HydrophobicContact CB-CZ 4.12Å; P552-F556 HydrophobicContact CG-CE1 4.24Å; P552-F556 HydrophobicContact CG-CZ 4.14Å; S554-F556 PolarHBondContact O-N 3.24Å |
| 557 | H | 89.8 | Confident | 91.9 | Very high | 96 Ų | 96 | 59 Ų | 59 | 44% | 0.444 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 103.7 | 174.4 | -161.2 | 87.9 | 0 | 0 | 0 | 110 | T194 S554 Q555 G559 | T194-H557 VanDerWaalsContact CG2-ND1 3.26Å; T194-H557 WeakPolarHBondContact CG2-ND1 3.41Å; S554-H557 WeakPolarHBondContact O-CB 3.37Å; S554-H557 PolarHBondContact O-N 3.26Å; Q555-H557 PolarHBondContact O-N 2.87Å; Q555-H557 VanDerWaalsContact O-N 3.17Å; H557-G559 VanDerWaalsContact C-N 3.35Å; H557-G559 PolarHBondContact O-N 2.94Å |
| 558 | L | 88.2 | Confident | 92.1 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 88.6 | 174.4 | -82.9 | 70.8 | 0 | 0 | 0 | 108.8 | A188 P192 F193 V195 I494 V551 Y562 | A188-L558 HydrophobicContact CB-CB 4.4Å; P192-L558 VanDerWaalsContact CA-O 3.31Å; P192-L558 WeakPolarHBondContact CA-O 3.37Å; F193-L558 HydrophobicContact CD1-CB 4.39Å; F193-L558 HydrophobicContact CE1-CB 4.21Å; F193-L558 HydrophobicContact CE1-CD2 4.38Å; F193-L558 HydrophobicContact CZ-CD2 4.36Å; F193-L558 PolarHBondContact N-O 3.11Å; F193-L558 PolarHBondContact O-N 2.9Å; V195-L558 HydrophobicContact CB-CD1 3.79Å; V195-L558 HydrophobicContact CG2-CD1 3.31Å; V195-L558 HydrophobicContact CG2-CD2 3.9Å; V195-L558 HydrophobicContact CG2-CG 4.07Å; I494-L558 HydrophobicContact CD1-CD2 4.43Å; I494-L558 HydrophobicContact CG1-CD2 4.25Å; V551-L558 HydrophobicContact CG1-CD1 3.88Å; V551-L558 HydrophobicContact CG2-CD1 4.47Å; L558-Y562 HydrophobicContact CB-CD1 4.4Å; L558-Y562 HydrophobicContact CD2-CD1 4.04Å; L558-Y562 HydrophobicContact CD2-CE1 3.85Å; L558-Y562 HydrophobicContact CG-CD1 3.81Å; L558-Y562 HydrophobicContact CG-CE1 3.98Å |
| 559 | G | 90.3 | Very high | 92.1 | Very high | 11 Ų | 11 | 60.4 Ų | 60.4 | 11% | 0.113 | 31% | 0.313 | C | S | . | . | trans | -81.1 | 170.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | H557 T561 Y562 G563 | H557-G559 VanDerWaalsContact C-N 3.35Å; H557-G559 PolarHBondContact O-N 2.94Å; G559-T561 PolarHBondContact O-N 3.18Å; G559-Y562 PolarHBondContact O-N 3.38Å; G559-G563 PolarHBondContact O-N 3.36Å | ||
| 560 | R | 93.7 | Very high | 92 | Very high | 156 Ų | 156 | 57 Ų | 57 | 59% | 0.589 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60.2 | -31.3 | 174.7 | -65.4 | -174.9 | 175.5 | 156.5 | 2.9 | 112.7 | L189 G563 V564 | L189-R560 HydrophobicContact CD2-CB 4.09Å; L189-R560 WeakPolarHBondContact CD2-O 3.37Å; L189-R560 PolarHBondContact O-NE 3.24Å; R560-G563 PolarHBondContact O-N 2.8Å; R560-V564 WeakPolarHBondContact O-CG2 3.39Å; R560-V564 PolarHBondContact O-N 3.24Å |
| 561 | T | 92.1 | Very high | 92 | Very high | 118 Ų | 118 | 58 Ų | 58 | 72% | 0.724 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.1 | -43.1 | 177.1 | 48 | 0 | 0 | 0 | 0 | 112.1 | G559 G563 V564 F565 | G559-T561 PolarHBondContact O-N 3.18Å; T561-G563 VanDerWaalsContact C-N 3.34Å; T561-V564 PolarHBondContact O-N 3.28Å; T561-F565 WeakPolarHBondContact O-CB 3Å; T561-F565 PolarHBondContact O-N 3.42Å |
| 562 | Y | 92.2 | Very high | 92 | Very high | 13 Ų | 13 | 62.2 Ų | 62.2 | 5% | 0.051 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 174.1 | 178 | -110 | 0 | 0 | 0 | 111.5 | S547 I550 V551 L558 G559 F565 L566 | S547-Y562 VanDerWaalsContact CB-OH 3.31Å; S547-Y562 WeakPolarHBondContact CB-OH 3.45Å; S547-Y562 PolarHBondContact OG-OH 2.92Å; I550-Y562 HydrophobicContact CG2-CD2 3.84Å; I550-Y562 HydrophobicContact CG2-CE2 4.13Å; V551-Y562 HydrophobicContact CG2-CE1 4.09Å; V551-Y562 HydrophobicContact CG2-CE2 3.84Å; L558-Y562 HydrophobicContact CB-CD1 4.4Å; L558-Y562 HydrophobicContact CD2-CD1 4.04Å; L558-Y562 HydrophobicContact CD2-CE1 3.85Å; L558-Y562 HydrophobicContact CG-CD1 3.81Å; L558-Y562 HydrophobicContact CG-CE1 3.98Å; G559-Y562 PolarHBondContact O-N 3.38Å; Y562-F565 HydrophobicContact CD2-CD1 4.29Å; Y562-F565 HydrophobicContact CE2-CD1 4.38Å; Y562-F565 WeakPolarHBondContact O-CB 3.46Å; Y562-F565 PolarHBondContact O-N 2.93Å; Y562-L566 HydrophobicContact CD1-CD1 4.11Å; Y562-L566 HydrophobicContact CE1-CD1 3.5Å; Y562-L566 HydrophobicContact CE1-CG 4.18Å; Y562-L566 HydrophobicContact CE2-CD1 4.38Å; Y562-L566 HydrophobicContact CE2-CD2 4.28Å; Y562-L566 HydrophobicContact CE2-CG 4.2Å; Y562-L566 PolarHBondContact O-N 3.47Å |
| 563 | G | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G559 R560 T561 L566 L567 | G559-G563 PolarHBondContact O-N 3.36Å; R560-G563 PolarHBondContact O-N 2.8Å; T561-G563 VanDerWaalsContact C-N 3.34Å; G563-L566 PolarHBondContact O-N 3.02Å; G563-L567 WeakPolarHBondContact O-CG 3.32Å; G563-L567 PolarHBondContact O-N 3.2Å; G563-L567 VanDerWaalsContact O-N 3.16Å |
| 564 | V | 95.1 | Very high | 91.7 | Very high | 77 Ų | 77 | 56.9 Ų | 56.9 | 47% | 0.467 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 173.9 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | L189 R560 T561 L566 L567 V568 | L189-V564 HydrophobicContact CD2-CG2 3.79Å; R560-V564 WeakPolarHBondContact O-CG2 3.39Å; R560-V564 PolarHBondContact O-N 3.24Å; T561-V564 PolarHBondContact O-N 3.28Å; V564-L566 VanDerWaalsContact C-N 3.34Å; V564-L566 PolarHBondContact O-N 3.42Å; V564-L567 PolarHBondContact O-N 3.28Å; V564-V568 HydrophobicContact CG1-CG2 4.2Å; V564-V568 WeakPolarHBondContact O-CG2 3.37Å; V564-V568 PolarHBondContact O-N 3.05Å |
| 565 | F | 94.8 | Very high | 91.7 | Very high | 72 Ų | 72 | 59.5 Ų | 59.5 | 32% | 0.316 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -55.9 | -46.7 | 177.5 | 165.9 | -96.9 | 0 | 0 | 0 | 112.2 | L546 I550 T561 Y562 L567 V568 L569 | L546-F565 HydrophobicContact CB-CZ 4.36Å; L546-F565 HydrophobicContact CD1-CZ 4.19Å; I550-F565 HydrophobicContact CD1-CD1 4.15Å; I550-F565 HydrophobicContact CD1-CE1 3.44Å; I550-F565 VanDerWaalsContact CD1-CE1 3.44Å; I550-F565 HydrophobicContact CD1-CE2 4.11Å; I550-F565 HydrophobicContact CD1-CZ 3.41Å; I550-F565 VanDerWaalsContact CD1-CZ 3.41Å; T561-F565 WeakPolarHBondContact O-CB 3Å; T561-F565 PolarHBondContact O-N 3.42Å; Y562-F565 HydrophobicContact CD2-CD1 4.29Å; Y562-F565 HydrophobicContact CE2-CD1 4.38Å; Y562-F565 WeakPolarHBondContact O-CB 3.46Å; Y562-F565 PolarHBondContact O-N 2.93Å; F565-L567 PolarHBondContact O-N 3.36Å; F565-V568 PolarHBondContact O-N 2.99Å; F565-L569 WeakPolarHBondContact O-CB 3.16Å; F565-L569 PolarHBondContact O-N 3.2Å |
| 566 | L | 94.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63 | -41.2 | 177.7 | -72.1 | 178.8 | 0 | 0 | 0 | 112.7 | T181 A184 Y562 G563 V564 L569 Y570 | T181-L566 HydrophobicContact CG2-CD2 4.39Å; T181-L566 WeakPolarHBondContact O-CB 3.47Å; A184-L566 HydrophobicContact CB-CD1 4.29Å; Y562-L566 HydrophobicContact CD1-CD1 4.11Å; Y562-L566 HydrophobicContact CE1-CD1 3.5Å; Y562-L566 HydrophobicContact CE1-CG 4.18Å; Y562-L566 HydrophobicContact CE2-CD1 4.38Å; Y562-L566 HydrophobicContact CE2-CD2 4.28Å; Y562-L566 HydrophobicContact CE2-CG 4.2Å; Y562-L566 PolarHBondContact O-N 3.47Å; G563-L566 PolarHBondContact O-N 3.02Å; V564-L566 VanDerWaalsContact C-N 3.34Å; V564-L566 PolarHBondContact O-N 3.42Å; L566-L569 WeakPolarHBondContact O-CB 3.45Å; L566-L569 PolarHBondContact O-N 2.93Å; L566-Y570 PolarHBondContact O-N 2.8Å |
| 567 | L | 94.9 | Very high | 91.2 | Very high | 49 Ų | 49 | 53.6 Ų | 53.6 | 26% | 0.257 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.3 | -37.8 | 176.8 | -68.8 | -178.5 | 0 | 0 | 0 | 112.7 | V182 L189 G563 V564 F565 Y570 S571 | V182-L567 HydrophobicContact CB-CD2 4.3Å; V182-L567 HydrophobicContact CG1-CD2 4.14Å; V182-L567 HydrophobicContact CG2-CD2 4.31Å; L189-L567 HydrophobicContact CD1-CD1 3.5Å; L189-L567 VanDerWaalsContact CD1-CD1 3.5Å; G563-L567 WeakPolarHBondContact O-CG 3.32Å; G563-L567 PolarHBondContact O-N 3.2Å; G563-L567 VanDerWaalsContact O-N 3.16Å; V564-L567 PolarHBondContact O-N 3.28Å; F565-L567 PolarHBondContact O-N 3.36Å; L567-Y570 PolarHBondContact O-N 3.17Å; L567-S571 WeakPolarHBondContact O-CB 3.26Å; L567-S571 PolarHBondContact O-N 3.34Å; L567-S571 PolarHBondContact O-OG 3.33Å |
| 568 | V | 95.1 | Very high | 90.8 | Very high | 74 Ų | 74 | 51.6 Ų | 51.6 | 45% | 0.448 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65 | -44.1 | 174.4 | 170.9 | 0 | 0 | 0 | 0 | 110.2 | V564 F565 Y570 S571 I572 | V564-V568 HydrophobicContact CG1-CG2 4.2Å; V564-V568 WeakPolarHBondContact O-CG2 3.37Å; V564-V568 PolarHBondContact O-N 3.05Å; F565-V568 PolarHBondContact O-N 2.99Å; V568-Y570 VanDerWaalsContact C-N 3.33Å; V568-Y570 PolarHBondContact O-N 3.03Å; V568-S571 PolarHBondContact O-N 2.99Å; V568-S571 VanDerWaalsContact O-N 3.17Å; V568-I572 HydrophobicContact CG1-CD1 3.91Å; V568-I572 HydrophobicContact CG1-CG1 4.48Å; V568-I572 WeakPolarHBondContact O-CG1 3.39Å; V568-I572 PolarHBondContact O-N 3.04Å |
| 569 | L | 93.1 | Very high | 90.6 | Very high | 36 Ų | 36 | 54 Ų | 54 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.8 | -45.6 | 176.4 | -174.6 | 69 | 0 | 0 | 0 | 111.6 | T181 L546 F565 L566 I572 F573 | T181-L569 HydrophobicContact CG2-CD2 4.38Å; L546-L569 HydrophobicContact CD1-CD1 4.16Å; L546-L569 HydrophobicContact CD1-CD2 4.18Å; F565-L569 WeakPolarHBondContact O-CB 3.16Å; F565-L569 PolarHBondContact O-N 3.2Å; L566-L569 WeakPolarHBondContact O-CB 3.45Å; L566-L569 PolarHBondContact O-N 2.93Å; L569-I572 PolarHBondContact O-N 3.49Å; L569-F573 PolarHBondContact O-N 3.45Å |
| 570 | Y | 92.8 | Very high | 90 | Very high | 21 Ų | 21 | 54.9 Ų | 54.9 | 8% | 0.082 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 175.3 | -175.2 | -101.3 | 0 | 0 | 0 | 112.7 | I177 F178 T181 V182 L566 L567 V568 I572 F573 L574 | I177-Y570 HydrophobicContact CG1-CD2 4.34Å; I177-Y570 HydrophobicContact CG2-CE2 4.45Å; F178-Y570 HydrophobicContact CB-CE2 4.22Å; F178-Y570 HydrophobicContact CD2-CE1 4.43Å; F178-Y570 HydrophobicContact CD2-CE2 4.15Å; F178-Y570 AromaticContact CD2-CZ 3.83Å; T181-Y570 WeakPolarHBondContact OG1-CB 3.41Å; T181-Y570 VanDerWaalsContact OG1-CD2 3.26Å; T181-Y570 WeakPolarHBondContact OG1-CD2 3.32Å; V182-Y570 HydrophobicContact CG2-CD1 3.37Å; V182-Y570 HydrophobicContact CG2-CD2 3.8Å; V182-Y570 HydrophobicContact CG2-CE1 3.7Å; V182-Y570 HydrophobicContact CG2-CE2 4.11Å; V182-Y570 HydrophobicContact CG2-CG 3.42Å; V182-Y570 VanDerWaalsContact CG2-CG 3.42Å; L566-Y570 PolarHBondContact O-N 2.8Å; L567-Y570 PolarHBondContact O-N 3.17Å; V568-Y570 VanDerWaalsContact C-N 3.33Å; V568-Y570 PolarHBondContact O-N 3.03Å; Y570-I572 VanDerWaalsContact C-N 3.31Å; Y570-I572 PolarHBondContact O-N 3.21Å; Y570-F573 HydrophobicContact CD2-CD1 4.07Å; Y570-F573 HydrophobicContact CE2-CD1 4.02Å; Y570-F573 HydrophobicContact CE2-CE1 4.14Å; Y570-F573 WeakPolarHBondContact O-CB 3.16Å; Y570-F573 PolarHBondContact O-N 3.32Å; Y570-L574 HydrophobicContact CE1-CB 4.48Å; Y570-L574 HydrophobicContact CE1-CD1 3.72Å; Y570-L574 WeakPolarHBondContact O-CB 3.42Å; Y570-L574 PolarHBondContact O-N 3.48Å |
| 571 | S | 91.9 | Very high | 89.2 | Confident | 72 Ų | 72 | 50.5 Ų | 50.5 | 50% | 0.503 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63 | -38.8 | 179.1 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | L567 V568 L575 | L567-S571 WeakPolarHBondContact O-CB 3.26Å; L567-S571 PolarHBondContact O-N 3.34Å; L567-S571 PolarHBondContact O-OG 3.33Å; V568-S571 PolarHBondContact O-N 2.99Å; V568-S571 VanDerWaalsContact O-N 3.17Å; S571-L575 WeakPolarHBondContact O-CB 3.44Å; S571-L575 PolarHBondContact O-N 2.99Å |
| 572 | I | 91.3 | Very high | 88.5 | Confident | 89 Ų | 89 | 51.2 Ų | 51.2 | 46% | 0.456 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.2 | -46.4 | 173.9 | -68.1 | 165.5 | 0 | 0 | 0 | 110.4 | V568 L569 Y570 L575 I576 | V568-I572 HydrophobicContact CG1-CD1 3.91Å; V568-I572 HydrophobicContact CG1-CG1 4.48Å; V568-I572 WeakPolarHBondContact O-CG1 3.39Å; V568-I572 PolarHBondContact O-N 3.04Å; L569-I572 PolarHBondContact O-N 3.49Å; Y570-I572 VanDerWaalsContact C-N 3.31Å; Y570-I572 PolarHBondContact O-N 3.21Å; I572-L575 PolarHBondContact O-N 3.37Å; I572-I576 HydrophobicContact CG2-CD1 3.86Å; I572-I576 VanDerWaalsContact O-CG1 3.32Å; I572-I576 WeakPolarHBondContact O-CG1 3.44Å; I572-I576 PolarHBondContact O-N 3.32Å |
| 573 | F | 89.1 | Confident | 87.6 | Confident | 12 Ų | 12 | 52 Ų | 52 | 5% | 0.053 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.4 | -48.4 | 176.2 | 156.7 | -100.9 | 0 | 0 | 0 | 112.1 | I177 V536 A539 L569 Y570 L575 I576 A577 | I177-F573 HydrophobicContact CD1-CB 4.09Å; I177-F573 HydrophobicContact CD1-CD1 3.77Å; I177-F573 HydrophobicContact CD1-CD2 3.91Å; I177-F573 HydrophobicContact CD1-CE1 4.18Å; I177-F573 HydrophobicContact CD1-CE2 4.3Å; I177-F573 HydrophobicContact CD1-CG 3.62Å; I177-F573 HydrophobicContact CD1-CZ 4.43Å; I177-F573 HydrophobicContact CG2-CD1 4.43Å; I177-F573 HydrophobicContact CG2-CE1 3.91Å; I177-F573 HydrophobicContact CG2-CZ 4.14Å; V536-F573 HydrophobicContact CB-CE2 4.35Å; V536-F573 HydrophobicContact CG1-CZ 4.32Å; V536-F573 HydrophobicContact CG2-CE2 3.87Å; V536-F573 HydrophobicContact CG2-CZ 3.9Å; A539-F573 HydrophobicContact CB-CD2 3.47Å; A539-F573 VanDerWaalsContact CB-CD2 3.47Å; A539-F573 HydrophobicContact CB-CE2 3.97Å; A539-F573 HydrophobicContact CB-CG 4.25Å; L569-F573 PolarHBondContact O-N 3.45Å; Y570-F573 HydrophobicContact CD2-CD1 4.07Å; Y570-F573 HydrophobicContact CE2-CD1 4.02Å; Y570-F573 HydrophobicContact CE2-CE1 4.14Å; Y570-F573 WeakPolarHBondContact O-CB 3.16Å; Y570-F573 PolarHBondContact O-N 3.32Å; F573-L575 VanDerWaalsContact C-N 3.3Å; F573-L575 PolarHBondContact O-N 3.5Å; F573-I576 PolarHBondContact O-N 2.99Å; F573-I576 VanDerWaalsContact O-N 3.17Å; F573-A577 PolarHBondContact O-N 2.94Å |
| 574 | L | 87.3 | Confident | 86.9 | Confident | 56 Ų | 56 | 57.5 Ų | 57.5 | 29% | 0.293 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | -179.7 | -170.9 | 152.3 | 0 | 0 | 0 | 110.9 | Y570 A577 L578 | Y570-L574 HydrophobicContact CE1-CB 4.48Å; Y570-L574 HydrophobicContact CE1-CD1 3.72Å; Y570-L574 WeakPolarHBondContact O-CB 3.42Å; Y570-L574 PolarHBondContact O-N 3.48Å; L574-A577 PolarHBondContact O-N 2.91Å; L574-L578 HydrophobicContact CD2-CD1 3.53Å; L574-L578 HydrophobicContact CD2-CG 4.12Å; L574-L578 WeakPolarHBondContact O-CG 3.47Å; L574-L578 PolarHBondContact O-N 3.06Å |
| 575 | L | 87.7 | Confident | 85.7 | Confident | 100 Ų | 100 | 57.2 Ų | 57.2 | 52% | 0.524 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 173.7 | -178.8 | 65.6 | 0 | 0 | 0 | 111.6 | S571 I572 F573 L578 L579 | S571-L575 WeakPolarHBondContact O-CB 3.44Å; S571-L575 PolarHBondContact O-N 2.99Å; I572-L575 PolarHBondContact O-N 3.37Å; F573-L575 VanDerWaalsContact C-N 3.3Å; F573-L575 PolarHBondContact O-N 3.5Å; L575-L578 PolarHBondContact O-N 3.03Å; L575-L579 HydrophobicContact CD1-CD1 4.08Å; L575-L579 HydrophobicContact CD1-CG 4.17Å; L575-L579 HydrophobicContact CG-CD1 3.88Å; L575-L579 HydrophobicContact CG-CG 4.36Å; L575-L579 WeakPolarHBondContact O-CB 3.41Å; L575-L579 VanDerWaalsContact O-CG 3.23Å; L575-L579 WeakPolarHBondContact O-CG 3.45Å; L575-L579 PolarHBondContact O-N 3.29Å |
| 576 | I | 86.3 | Confident | 83.9 | Confident | 72 Ų | 72 | 61.9 Ų | 61.9 | 37% | 0.369 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.3 | -47.9 | 177.4 | -68.7 | 165.2 | 0 | 0 | 0 | 110.3 | I535 I572 F573 L578 L579 T580 | I535-I576 HydrophobicContact CG2-CG2 4.36Å; I572-I576 HydrophobicContact CG2-CD1 3.86Å; I572-I576 VanDerWaalsContact O-CG1 3.32Å; I572-I576 WeakPolarHBondContact O-CG1 3.44Å; I572-I576 PolarHBondContact O-N 3.32Å; F573-I576 PolarHBondContact O-N 2.99Å; F573-I576 VanDerWaalsContact O-N 3.17Å; I576-L578 VanDerWaalsContact C-N 3.35Å; I576-L578 PolarHBondContact O-N 3.46Å; I576-L579 PolarHBondContact O-N 3Å; I576-T580 PolarHBondContact O-N 3.2Å; I576-T580 PolarHBondContact O-OG1 3.43Å; I576-T580 VanDerWaalsContact O-OG1 3.08Å |
| 577 | A | 81.6 | Confident | 81.6 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.008 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.9 | -45 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T467 L532 F573 L574 E581 | T467-A577 HydrophobicContact CG2-CB 4.24Å; L532-A577 HydrophobicContact CD1-CB 3.95Å; F573-A577 PolarHBondContact O-N 2.94Å; L574-A577 PolarHBondContact O-N 2.91Å; A577-E581 PolarHBondContact O-N 3.45Å |
| 578 | L | 81.5 | Confident | 81 | Confident | 54 Ų | 54 | 70.8 Ų | 70.8 | 28% | 0.283 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.4 | -39.2 | 177 | -69.3 | 179.9 | 0 | 0 | 0 | 112.6 | V463 L574 L575 I576 E581 F582 | V463-L578 HydrophobicContact CG1-CD2 4.38Å; L574-L578 HydrophobicContact CD2-CD1 3.53Å; L574-L578 HydrophobicContact CD2-CG 4.12Å; L574-L578 WeakPolarHBondContact O-CG 3.47Å; L574-L578 PolarHBondContact O-N 3.06Å; L575-L578 PolarHBondContact O-N 3.03Å; I576-L578 VanDerWaalsContact C-N 3.35Å; I576-L578 PolarHBondContact O-N 3.46Å; L578-E581 WeakPolarHBondContact O-CB 3.43Å; L578-E581 PolarHBondContact O-N 3.26Å; L578-F582 HydrophobicContact CB-CD2 4.5Å; L578-F582 HydrophobicContact CB-CE2 4.31Å; L578-F582 WeakPolarHBondContact O-CD2 3.49Å; L578-F582 PolarHBondContact O-N 3Å |
| 579 | L | 83.9 | Confident | 80.2 | Confident | 52 Ų | 52 | 70.6 Ų | 70.6 | 27% | 0.272 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68.6 | -34.1 | 179.3 | -73.1 | 175.4 | 0 | 0 | 0 | 112.8 | L575 I576 E581 I584 I585 | L575-L579 HydrophobicContact CD1-CD1 4.08Å; L575-L579 HydrophobicContact CD1-CG 4.17Å; L575-L579 HydrophobicContact CG-CD1 3.88Å; L575-L579 HydrophobicContact CG-CG 4.36Å; L575-L579 WeakPolarHBondContact O-CB 3.41Å; L575-L579 VanDerWaalsContact O-CG 3.23Å; L575-L579 WeakPolarHBondContact O-CG 3.45Å; L575-L579 PolarHBondContact O-N 3.29Å; I576-L579 PolarHBondContact O-N 3Å; L579-E581 VanDerWaalsContact C-N 3.34Å; L579-I584 HydrophobicContact CD2-CB 4.34Å; L579-I584 HydrophobicContact CD2-CD1 3.91Å; L579-I584 HydrophobicContact CD2-CG2 4.36Å; L579-I584 PolarHBondContact O-N 3.25Å; L579-I585 HydrophobicContact CB-CD1 3.49Å; L579-I585 VanDerWaalsContact CB-CD1 3.49Å; L579-I585 HydrophobicContact CB-CG1 3.89Å; L579-I585 HydrophobicContact CD1-CD1 4.14Å; L579-I585 HydrophobicContact CG-CD1 4.48Å; L579-I585 PolarHBondContact O-N 3.27Å |
| 580 | T | 79.2 | Confident | 79.5 | Confident | 29 Ų | 29 | 72.6 Ų | 72.6 | 18% | 0.178 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64 | -41.6 | 171.1 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | L531 I535 I576 G583 | L531-T580 HydrophobicContact CD2-CG2 4.14Å; I535-T580 HydrophobicContact CD1-CG2 4.27Å; I576-T580 PolarHBondContact O-N 3.2Å; I576-T580 PolarHBondContact O-OG1 3.43Å; I576-T580 VanDerWaalsContact O-OG1 3.08Å; T580-G583 PolarHBondContact O-N 3.35Å |
| 581 | E | 75.4 | Confident | 78.8 | Confident | 64 Ų | 64 | 75.6 Ų | 75.6 | 30% | 0.299 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.1 | -46.8 | 179.5 | 178 | 61.7 | -171.2 | 0 | 0 | 113.4 | S460 V463 A577 L578 L579 G583 | S460-E581 WeakPolarHBondContact CB-OE1 3.47Å; S460-E581 PolarHBondContact N-OE1 3.39Å; S460-E581 PolarHBondContact OG-OE1 3.39Å; S460-E581 PolarHBondContact OG-OE2 2.99Å; V463-E581 HydrophobicContact CB-CG 4.44Å; V463-E581 HydrophobicContact CG2-CB 3.7Å; V463-E581 VanDerWaalsContact CG2-CD 3.49Å; V463-E581 HydrophobicContact CG2-CG 3.65Å; V463-E581 WeakPolarHBondContact CG2-OE2 3.48Å; A577-E581 PolarHBondContact O-N 3.45Å; L578-E581 WeakPolarHBondContact O-CB 3.43Å; L578-E581 PolarHBondContact O-N 3.26Å; L579-E581 VanDerWaalsContact C-N 3.34Å; E581-G583 PolarHBondContact O-N 2.95Å |
| 582 | F | 79.1 | Confident | 77.9 | Confident | 133 Ų | 133 | 75.8 Ų | 75.8 | 58% | 0.583 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 6.3 | 179.1 | -67.6 | -61.6 | 0 | 0 | 0 | 113.2 | L459 L578 I584 | L459-F582 HydrophobicContact CD2-CZ 4.38Å; L578-F582 HydrophobicContact CB-CD2 4.5Å; L578-F582 HydrophobicContact CB-CE2 4.31Å; L578-F582 WeakPolarHBondContact O-CD2 3.49Å; L578-F582 PolarHBondContact O-N 3Å; F582-I584 HydrophobicContact CB-CD1 4.13Å; F582-I584 HydrophobicContact CB-CG1 4.11Å; F582-I584 PolarHBondContact O-N 3.41Å; F582-I584 VanDerWaalsContact O-N 3.13Å |
| 583 | G | 72.3 | Confident | 77 | Confident | 30 Ų | 30 | 74.9 Ų | 74.9 | 31% | 0.309 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 16 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T580 E581 H586 | T580-G583 PolarHBondContact O-N 3.35Å; E581-G583 PolarHBondContact O-N 2.95Å; G583-H586 PolarHBondContact O-CE1 3.33Å; G583-H586 PolarHBondContact O-ND1 3.36Å; G583-H586 PolarHBondContact O-NE2 3.42Å |
| 584 | I | 78.4 | Confident | 76.2 | Confident | 115 Ų | 115 | 79.4 Ų | 79.4 | 59% | 0.59 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -74.7 | -38.7 | 178.1 | -62.1 | 174.7 | 0 | 0 | 0 | 109.4 | L579 F582 H586 | L579-I584 HydrophobicContact CD2-CB 4.34Å; L579-I584 HydrophobicContact CD2-CD1 3.91Å; L579-I584 HydrophobicContact CD2-CG2 4.36Å; L579-I584 PolarHBondContact O-N 3.25Å; F582-I584 HydrophobicContact CB-CD1 4.13Å; F582-I584 HydrophobicContact CB-CG1 4.11Å; F582-I584 PolarHBondContact O-N 3.41Å; F582-I584 VanDerWaalsContact O-N 3.13Å; I584-H586 PolarHBondContact O-N 3.5Å |
| 585 | I | 70.2 | Confident | 75.3 | Confident | 70 Ų | 70 | 81.2 Ų | 81.2 | 36% | 0.359 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -89.7 | 93.5 | 168.1 | -59.6 | 170.8 | 0 | 0 | 0 | 106.8 | L579 T587 | L579-I585 HydrophobicContact CB-CD1 3.49Å; L579-I585 VanDerWaalsContact CB-CD1 3.49Å; L579-I585 HydrophobicContact CB-CG1 3.89Å; L579-I585 HydrophobicContact CD1-CD1 4.14Å; L579-I585 HydrophobicContact CG-CD1 4.48Å; L579-I585 PolarHBondContact O-N 3.27Å; I585-T587 PolarHBondContact O-N 3.47Å |
| 586 | H | 55.6 | Low | 74.3 | Confident | 170 Ų | 170 | 79.7 Ų | 79.7 | 79% | 0.787 | 42% | 0.421 | S | S | * | . | trans | -70.5 | 124.9 | 167.5 | -65.1 | -58.4 | 0 | 0 | 0 | 109.1 | G583 I584 | G583-H586 PolarHBondContact O-CE1 3.33Å; G583-H586 PolarHBondContact O-ND1 3.36Å; G583-H586 PolarHBondContact O-NE2 3.42Å; I584-H586 PolarHBondContact O-N 3.5Å | ||
| 587 | T | 48 | Very low | 73.2 | Confident | 166 Ų | 166 | 80.4 Ų | 80.4 | 100% | 1.018 | 43% | 0.426 | S | S | * | . | trans | -98.9 | 0 | 164.1 | 50.2 | 0 | 0 | 0 | 0 | 111 | L531 I585 | L531-T587 HydrophobicContact CD2-CG2 3.5Å; I585-T587 PolarHBondContact O-N 3.47Å |
Retrieved 587 of 587 residues in 290.4 ms
(Link to these results)