| 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 | 38.9 | Very low | 60.8 | Low | 247 Ų | 247 | 154.8 Ų | 154.8 | 100% | 1.217 | 76% | 0.759 | S | S | * | * | 0 | 99.3 | 0 | -74.2 | -179.3 | 169.4 | 0 | 0 | 107.7 | |||||
| 2 | E | 45.2 | Very low | 62.5 | Low | 178 Ų | 178 | 148.3 Ų | 148.3 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | trans | -69.9 | 126.7 | 175.9 | -66.7 | 159.9 | 94.1 | 0 | 0 | 109.2 | ||||
| 3 | K | 51.4 | Low | 63.6 | Low | 194 Ų | 194 | 144.5 Ų | 144.5 | 84% | 0.843 | 72% | 0.718 | S | S | * | * | trans | -125.3 | 75.5 | 163.6 | -149.6 | 174.9 | -173.7 | 178.9 | 0 | 106.6 | T5 | K3-T5 PolarHBondContact O-N 3.49Å; K3-T5 PolarHBondContact O-OG1 2.85Å | ||
| 4 | H | 53.8 | Low | 64.6 | Low | 166 Ų | 166 | 144.9 Ų | 144.9 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | trans | -67.7 | 84.2 | 168.8 | -88.9 | -87 | 0 | 0 | 0 | 108 | K6 | H4-K6 PolarHBondContact O-N 2.89Š| ||
| 5 | T | 60.7 | Low | 65.4 | Low | 117 Ų | 117 | 138.8 Ų | 138.8 | 72% | 0.718 | 69% | 0.691 | S | S | * | * | trans | -67 | 94.3 | 164.8 | -29.6 | 0 | 0 | 0 | 0 | 105.9 | K3 R7 | K3-T5 PolarHBondContact O-N 3.49Å; K3-T5 PolarHBondContact O-OG1 2.85Å; T5-R7 VanDerWaalsContact C-N 3.26Å; T5-R7 PolarHBondContact O-N 2.9Å | ||
| 6 | K | 62.5 | Low | 66.1 | Low | 190 Ų | 190 | 137.8 Ų | 137.8 | 83% | 0.826 | 69% | 0.687 | S | S | * | * | trans | -62.2 | 90.7 | 177.7 | -155.5 | 172.7 | -171 | 173.8 | 0 | 106.9 | H4 V8 | H4-K6 PolarHBondContact O-N 2.89Å; K6-V8 VanDerWaalsContact C-N 3.26Å; K6-V8 PolarHBondContact O-N 2.8Å | ||
| 7 | R | 68 | Low | 66.7 | Low | 236 Ų | 236 | 136.8 Ų | 136.8 | 89% | 0.891 | 69% | 0.685 | S | S | * | * | trans | -65.9 | 96.4 | 168.9 | -70.6 | -169.1 | -168.9 | -158.4 | 3.5 | 105.3 | T5 D9 | T5-R7 VanDerWaalsContact C-N 3.26Å; T5-R7 PolarHBondContact O-N 2.9Å; R7-D9 PolarHBondContact O-N 3.45Å; R7-D9 VanDerWaalsContact O-N 3.1Å | ||
| 8 | V | 66 | Low | 67 | Low | 91 Ų | 91 | 135.6 Ų | 135.6 | 55% | 0.552 | 68% | 0.68 | S | S | * | * | trans | -67.4 | 107.8 | 164.7 | -178.6 | 0 | 0 | 0 | 0 | 104.5 | K6 A10 L13 | K6-V8 VanDerWaalsContact C-N 3.26Å; K6-V8 PolarHBondContact O-N 2.8Å; V8-A10 PolarHBondContact O-N 3.1Å; V8-L13 HydrophobicContact CG1-CD1 4.49Å; V8-L13 HydrophobicContact CG1-CD2 4.26Å; V8-L13 HydrophobicContact CG1-CG 4.07Å | ||
| 9 | D | 71.9 | Confident | 67.1 | Low | 93 Ų | 93 | 135.7 Ų | 135.7 | 50% | 0.497 | 68% | 0.682 | S | S | . | * | trans | -60.5 | 134.5 | -178.4 | -159.7 | -56.6 | 0 | 0 | 0 | 108.8 | R7 L11 V12 L13 | R7-D9 PolarHBondContact O-N 3.45Å; R7-D9 VanDerWaalsContact O-N 3.1Å; D9-L11 PolarHBondContact O-N 2.91Å; D9-L11 VanDerWaalsContact O-N 3.1Å; D9-L11 WeakPolarHBondContact OD1-CB 3.47Å; D9-L11 PolarHBondContact OD1-N 3.4Å; D9-V12 HydrophobicContact CB-CG2 4.17Å; D9-V12 WeakPolarHBondContact O-CB 3.35Å; D9-V12 PolarHBondContact O-N 3.41Å; D9-L13 PolarHBondContact O-N 2.93Å | ||
| 10 | A | 75.9 | Confident | 66.8 | Low | 66 Ų | 66 | 130.9 Ų | 130.9 | 55% | 0.545 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -55.4 | -28 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V8 L13 F14 | V8-A10 PolarHBondContact O-N 3.1Å; A10-L13 PolarHBondContact O-N 3.05Å; A10-F14 WeakPolarHBondContact O-CB 3.46Å; A10-F14 PolarHBondContact O-N 3.47Å |
| 11 | L | 75.1 | Confident | 66.6 | Low | 125 Ų | 125 | 128.1 Ų | 128.1 | 65% | 0.654 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -60.3 | -42.3 | 171.9 | -113.2 | 105.1 | 0 | 0 | 0 | 112.7 | D9 L13 F14 S15 | D9-L11 PolarHBondContact O-N 2.91Å; D9-L11 VanDerWaalsContact O-N 3.1Å; D9-L11 WeakPolarHBondContact OD1-CB 3.47Å; D9-L11 PolarHBondContact OD1-N 3.4Å; L11-L13 VanDerWaalsContact C-N 3.32Å; L11-L13 PolarHBondContact O-N 2.81Å; L11-F14 WeakPolarHBondContact O-CB 3.46Å; L11-F14 PolarHBondContact O-N 3.1Å; L11-S15 WeakPolarHBondContact O-CB 3.49Å; L11-S15 PolarHBondContact O-N 2.89Å; L11-S15 PolarHBondContact O-OG 3.32Å; L11-S15 VanDerWaalsContact O-OG 3.05Å |
| 12 | V | 80.1 | Confident | 67.4 | Low | 76 Ų | 76 | 122.1 Ų | 122.1 | 46% | 0.461 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -65.6 | -39.9 | -178.9 | 175.3 | 0 | 0 | 0 | 0 | 110.3 | D9 S15 L16 | D9-V12 HydrophobicContact CB-CG2 4.17Å; D9-V12 WeakPolarHBondContact O-CB 3.35Å; D9-V12 PolarHBondContact O-N 3.41Å; V12-S15 PolarHBondContact O-N 2.99Å; V12-L16 HydrophobicContact CG1-CD1 4.21Å; V12-L16 PolarHBondContact O-N 3.44Å |
| 13 | L | 77.1 | Confident | 67.8 | Low | 100 Ų | 100 | 117.7 Ų | 117.7 | 52% | 0.524 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -64.1 | -44.6 | 173.8 | -66.9 | 172.3 | 0 | 0 | 0 | 111.3 | V8 D9 A10 L11 S15 L16 L17 | V8-L13 HydrophobicContact CG1-CD1 4.49Å; V8-L13 HydrophobicContact CG1-CD2 4.26Å; V8-L13 HydrophobicContact CG1-CG 4.07Å; D9-L13 PolarHBondContact O-N 2.93Å; A10-L13 PolarHBondContact O-N 3.05Å; L11-L13 VanDerWaalsContact C-N 3.32Å; L11-L13 PolarHBondContact O-N 2.81Å; L13-S15 PolarHBondContact O-N 3.24Å; L13-L16 PolarHBondContact O-N 3.48Å; L13-L17 PolarHBondContact O-N 3.03Å |
| 14 | F | 77.8 | Confident | 67.8 | Low | 149 Ų | 149 | 116.3 Ų | 116.3 | 65% | 0.654 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -60.3 | -43.5 | 175.9 | -115.5 | -93.3 | 0 | 0 | 0 | 112.1 | A10 L11 L17 L18 | A10-F14 WeakPolarHBondContact O-CB 3.46Å; A10-F14 PolarHBondContact O-N 3.47Å; L11-F14 WeakPolarHBondContact O-CB 3.46Å; L11-F14 PolarHBondContact O-N 3.1Å; F14-L17 PolarHBondContact O-N 3.05Å; F14-L18 WeakPolarHBondContact O-CG 3.4Å; F14-L18 PolarHBondContact O-N 3.35Å |
| 15 | S | 76.7 | Confident | 67.5 | Low | 54 Ų | 54 | 111.6 Ų | 111.6 | 38% | 0.378 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -64 | -44 | 177.2 | -62.8 | 0 | 0 | 0 | 0 | 112 | L11 V12 L13 L17 L18 L19 | L11-S15 WeakPolarHBondContact O-CB 3.49Å; L11-S15 PolarHBondContact O-N 2.89Å; L11-S15 PolarHBondContact O-OG 3.32Å; L11-S15 VanDerWaalsContact O-OG 3.05Å; V12-S15 PolarHBondContact O-N 2.99Å; L13-S15 PolarHBondContact O-N 3.24Å; S15-L17 VanDerWaalsContact C-N 3.33Å; S15-L17 PolarHBondContact O-N 3.05Å; S15-L18 PolarHBondContact O-N 3.45Å; S15-L19 WeakPolarHBondContact O-CB 3.5Å; S15-L19 WeakPolarHBondContact O-CD1 3.39Å; S15-L19 PolarHBondContact O-N 3.37Å |
| 16 | L | 75.9 | Confident | 67 | Low | 122 Ų | 122 | 114.1 Ų | 114.1 | 64% | 0.639 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -61 | -41 | 175.8 | -107.8 | 86.8 | 0 | 0 | 0 | 112.2 | V12 L13 L19 G20 | V12-L16 HydrophobicContact CG1-CD1 4.21Å; V12-L16 PolarHBondContact O-N 3.44Å; L13-L16 PolarHBondContact O-N 3.48Å; L16-L19 PolarHBondContact O-N 3.01Å; L16-G20 PolarHBondContact O-N 3.49Å |
| 17 | L | 76.5 | Confident | 65.8 | Low | 122 Ų | 122 | 113.5 Ų | 113.5 | 64% | 0.639 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -62.4 | -43.6 | 177.2 | -109.3 | 137.8 | 0 | 0 | 0 | 111.7 | L13 F14 S15 G20 S21 | L13-L17 PolarHBondContact O-N 3.03Å; F14-L17 PolarHBondContact O-N 3.05Å; S15-L17 VanDerWaalsContact C-N 3.33Å; S15-L17 PolarHBondContact O-N 3.05Å; L17-G20 PolarHBondContact O-N 3Å; L17-S21 WeakPolarHBondContact O-CB 3.43Å; L17-S21 PolarHBondContact O-N 2.77Å; L17-S21 PolarHBondContact O-OG 3.43Å |
| 18 | L | 71.8 | Confident | 64.5 | Low | 115 Ų | 115 | 109 Ų | 109 | 60% | 0.602 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.4 | -42.9 | 178.3 | -73 | 164.9 | 0 | 0 | 0 | 112 | F14 S15 S21 | F14-L18 WeakPolarHBondContact O-CG 3.4Å; F14-L18 PolarHBondContact O-N 3.35Å; S15-L18 PolarHBondContact O-N 3.45Å; L18-S21 PolarHBondContact O-N 2.02Å |
| 19 | L | 68.9 | Low | 63.3 | Low | 138 Ų | 138 | 112 Ų | 112 | 72% | 0.723 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.7 | -37 | 178 | -81.3 | 150.3 | 0 | 0 | 0 | 112.5 | S15 L16 | S15-L19 WeakPolarHBondContact O-CB 3.5Å; S15-L19 WeakPolarHBondContact O-CD1 3.39Å; S15-L19 PolarHBondContact O-N 3.37Å; L16-L19 PolarHBondContact O-N 3.01Å |
| 20 | G | 62.7 | Low | 62 | Low | 39 Ų | 39 | 114.3 Ų | 114.3 | 40% | 0.402 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -73.2 | -33.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L16 L17 C22 A23 | L16-G20 PolarHBondContact O-N 3.49Å; L17-G20 PolarHBondContact O-N 3Å; G20-C22 PolarHBondContact O-N 2.65Å; G20-A23 PolarHBondContact O-N 3.47Å; G20-A23 VanDerWaalsContact O-N 3.15Å |
| 21 | S | 61.3 | Low | 59.9 | Low | 73 Ų | 73 | 114.4 Ų | 114.4 | 51% | 0.51 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -64.5 | -22.2 | -177.9 | -59.3 | 0 | 0 | 0 | 0 | 113.7 | L17 L18 A23 | L17-S21 WeakPolarHBondContact O-CB 3.43Å; L17-S21 PolarHBondContact O-N 2.77Å; L17-S21 PolarHBondContact O-OG 3.43Å; L18-S21 PolarHBondContact O-N 2.02Å; S21-A23 VanDerWaalsContact C-N 3.27Å; S21-A23 PolarHBondContact O-N 3.2Å |
| 22 | C | 55.9 | Low | 58.1 | Low | 120 Ų | 120 | 112.6 Ų | 112.6 | 81% | 0.811 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -15.1 | 176.6 | -74.3 | 0 | 0 | 0 | 0 | 114.1 | G20 | G20-C22 PolarHBondContact O-N 2.65Š|
| 23 | A | 53.4 | Low | 56.2 | Low | 86 Ų | 86 | 114.5 Ų | 114.5 | 71% | 0.711 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -8.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G20 S21 | G20-A23 PolarHBondContact O-N 3.47Å; G20-A23 VanDerWaalsContact O-N 3.15Å; S21-A23 VanDerWaalsContact C-N 3.27Å; S21-A23 PolarHBondContact O-N 3.2Å |
| 24 | Q | 52.7 | Low | 54.3 | Low | 164 Ų | 164 | 114.9 Ų | 114.9 | 77% | 0.766 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -115.5 | 2.6 | -173.4 | -68.6 | 179.5 | -19.5 | 0 | 0 | 114.3 | L26 | Q24-L26 VanDerWaalsContact C-N 3.31Å; Q24-L26 PolarHBondContact O-N 3.48Å |
| 25 | G | 47.7 | Very low | 52.6 | Low | 68 Ų | 68 | 112.2 Ų | 112.2 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | trans | -83.9 | 6.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 26 | L | 48.3 | Very low | 50.8 | Low | 170 Ų | 170 | 117.3 Ų | 117.3 | 89% | 0.89 | 72% | 0.716 | S | S | * | * | trans | -112 | 67 | 173.9 | -71.6 | 169.9 | 0 | 0 | 0 | 110 | Q24 | Q24-L26 VanDerWaalsContact C-N 3.31Å; Q24-L26 PolarHBondContact O-N 3.48Å | ||
| 27 | Q | 39 | Very low | 49 | Very low | 177 Ų | 177 | 116 Ų | 116 | 83% | 0.827 | 72% | 0.717 | S | S | * | * | trans | -135 | 89.2 | 153.1 | -63.8 | -169 | 25.6 | 0 | 0 | 103.9 | ||||
| 28 | D | 39.9 | Very low | 47.3 | Very low | 142 Ų | 142 | 113.5 Ų | 113.5 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | 54.6 | 105.2 | 81 | -150.5 | -107.6 | 0 | 0 | 0 | 111.9 | |||||
| 29 | E | 40 | Very low | 45.9 | Very low | 153 Ų | 153 | 117 Ų | 117 | 72% | 0.715 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 68.9 | 125.1 | 144.1 | -61.7 | -65.5 | 97.9 | 0 | 0 | 121 | ||
| 30 | V | 45.9 | Very low | 44.6 | Very low | 141 Ų | 141 | 118.5 Ų | 118.5 | 86% | 0.855 | 73% | 0.731 | S | S | * | * | trans | 67.5 | 78.2 | 151.1 | -172.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 31 | G | 32.1 | Very low | 43.5 | Very low | 68 Ų | 68 | 119 Ų | 119 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | trans | -163.8 | 97.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 32 | A | 37 | Very low | 42.7 | Very low | 88 Ų | 88 | 122 Ų | 122 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | -35.6 | 131.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | P34 | A32-P34 VanDerWaalsContact O-CD 3.22Å; A32-P34 WeakPolarHBondContact O-CD 3.25Å | ||
| 33 | P | 39.7 | Very low | 42.2 | Very low | 116 Ų | 116 | 123.1 Ų | 123.1 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | trans | -55.7 | 121.4 | 176.9 | 23.5 | -31.3 | 0 | 0 | 0 | 106.7 | A35 | P33-A35 VanDerWaalsContact C-N 3.31Å; P33-A35 PolarHBondContact O-N 3.26Å | ||
| 34 | P | 38.3 | Very low | 42.1 | Very low | 108 Ų | 108 | 128 Ų | 128 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | -55.5 | 117.2 | 153.7 | 24.9 | -28.6 | 0 | 0 | 0 | 103.4 | A32 L36 | A32-P34 VanDerWaalsContact O-CD 3.22Å; A32-P34 WeakPolarHBondContact O-CD 3.25Å; P34-L36 PolarHBondContact O-N 2.99Å | ||
| 35 | A | 41.8 | Very low | 42.3 | Very low | 92 Ų | 92 | 122.6 Ų | 122.6 | 76% | 0.76 | 73% | 0.732 | S | S | * | * | trans | -52.1 | 84 | 162.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | P33 S37 | P33-A35 VanDerWaalsContact C-N 3.31Å; P33-A35 PolarHBondContact O-N 3.26Å; A35-S37 PolarHBondContact O-N 3.38Å | ||
| 36 | L | 38.8 | Very low | 43.4 | Very low | 162 Ų | 162 | 129.2 Ų | 129.2 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | trans | -67.9 | 83.7 | 152.2 | -78.5 | 169.7 | 0 | 0 | 0 | 102.3 | P34 A38 | P34-L36 PolarHBondContact O-N 2.99Å; L36-A38 PolarHBondContact O-N 3.45Å | ||
| 37 | S | 37.6 | Very low | 44.9 | Very low | 94 Ų | 94 | 121.7 Ų | 121.7 | 66% | 0.657 | 70% | 0.698 | S | S | * | * | trans | -5.4 | 105.4 | 161 | -65.7 | 0 | 0 | 0 | 0 | 108.7 | A35 E39 | A35-S37 PolarHBondContact O-N 3.38Å; S37-E39 PolarHBondContact O-N 3.5Å | ||
| 38 | A | 41.7 | Very low | 47.2 | Very low | 69 Ų | 69 | 116.4 Ų | 116.4 | 57% | 0.57 | 67% | 0.673 | S | S | * | * | trans | -34 | 107.5 | 134.6 | 0 | 0 | 0 | 0 | 0 | 105.1 | L36 E40 | L36-A38 PolarHBondContact O-N 3.45Å; A38-E40 HydrophobicContact CB-CG 4.45Å; A38-E40 PolarHBondContact O-N 2.94Å | ||
| 39 | E | 41.6 | Very low | 49.4 | Very low | 190 Ų | 190 | 110.8 Ų | 110.8 | 89% | 0.888 | 65% | 0.645 | S | S | * | * | trans | -63.6 | 60.3 | 153.6 | -68.5 | -179.5 | 89.6 | 0 | 0 | 106.2 | S37 G41 | S37-E39 PolarHBondContact O-N 3.5Å; E39-G41 PolarHBondContact O-N 3.08Å; E39-G41 VanDerWaalsContact O-N 3.11Å | ||
| 40 | E | 41.4 | Very low | 51.8 | Low | 169 Ų | 169 | 110.2 Ų | 110.2 | 79% | 0.79 | 64% | 0.636 | S | S | * | * | -65 | 48.2 | 125.3 | -74 | 179.8 | 112.6 | 0 | 0 | 107.6 | A38 V42 | A38-E40 HydrophobicContact CB-CG 4.45Å; A38-E40 PolarHBondContact O-N 2.94Å; E40-V42 PolarHBondContact O-N 3.11Å | |||
| 41 | G | 39.7 | Very low | 53.7 | Low | 49 Ų | 49 | 109.4 Ų | 109.4 | 51% | 0.505 | 62% | 0.623 | S | S | . | * | trans | -52.7 | 112.2 | 140.1 | 0 | 0 | 0 | 0 | 0 | 102.5 | E39 M43 | E39-G41 PolarHBondContact O-N 3.08Å; E39-G41 VanDerWaalsContact O-N 3.11Å; G41-M43 PolarHBondContact O-N 3.14Å | ||
| 42 | V | 44.6 | Very low | 56.3 | Low | 135 Ų | 135 | 108.6 Ų | 108.6 | 82% | 0.818 | 60% | 0.604 | S | S | * | * | trans | -56.9 | 76.1 | 169.1 | 177.8 | 0 | 0 | 0 | 0 | 105.4 | E40 E44 | E40-V42 PolarHBondContact O-N 3.11Å; V42-E44 PolarHBondContact O-N 3.21Å | ||
| 43 | M | 45.8 | Very low | 58.3 | Low | 144 Ų | 144 | 112.2 Ų | 112.2 | 71% | 0.709 | 61% | 0.611 | S | S | * | * | trans | -63 | 103.6 | 156.5 | -74.8 | -138.6 | -79.6 | 0 | 0 | 100.9 | G41 T45 | G41-M43 PolarHBondContact O-N 3.14Å; M43-T45 HydrophobicContact CB-CG2 3.53Å; M43-T45 WeakPolarHBondContact O-CG2 3.02Å; M43-T45 PolarHBondContact O-N 3.15Å | ||
| 44 | E | 51.9 | Low | 60.1 | Low | 188 Ų | 188 | 113.3 Ų | 113.3 | 88% | 0.879 | 61% | 0.61 | S | S | * | * | trans | -55.3 | 72.7 | 157.7 | -165.4 | 172.2 | 147.1 | 0 | 0 | 105.8 | V42 R46 | V42-E44 PolarHBondContact O-N 3.21Å; E44-R46 PolarHBondContact O-N 3.39Å | ||
| 45 | T | 56.9 | Low | 62.1 | Low | 51 Ų | 51 | 114.1 Ų | 114.1 | 31% | 0.313 | 62% | 0.615 | S | S | . | * | trans | -72.8 | 102.2 | -162.3 | 39.1 | 0 | 0 | 0 | 0 | 105.1 | M43 A47 G66 | M43-T45 HydrophobicContact CB-CG2 3.53Å; M43-T45 WeakPolarHBondContact O-CG2 3.02Å; M43-T45 PolarHBondContact O-N 3.15Å; T45-A47 PolarHBondContact O-N 2.82Å; T45-A47 VanDerWaalsContact O-N 3.09Å; T45-G66 VanDerWaalsContact O-O 3.08Å; T45-G66 WeakPolarHBondContact OG1-CA 3.49Å | ||
| 46 | R | 70.2 | Confident | 64 | Low | 208 Ų | 208 | 110.9 Ų | 110.9 | 79% | 0.785 | 59% | 0.586 | S | S | * | * | trans | -41.1 | 123.9 | 157.3 | -179.7 | -179.2 | -177.1 | 179.1 | 4.1 | 107.2 | E44 E48 | E44-R46 PolarHBondContact O-N 3.39Å; R46-E48 PolarHBondContact O-N 2.83Å | ||
| 47 | A | 80 | Confident | 66.1 | Low | 12 Ų | 12 | 111 Ų | 111 | 10% | 0.099 | 58% | 0.58 | C | S | . | * | trans | -50.4 | 116.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | T45 L84 | T45-A47 PolarHBondContact O-N 2.82Å; T45-A47 VanDerWaalsContact O-N 3.09Å; A47-L84 WeakPolarHBondContact CB-O 3Å | ||
| 48 | E | 85.8 | Confident | 68.4 | Low | 65 Ų | 65 | 112 Ų | 112 | 30% | 0.304 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.8 | 141.2 | -175.5 | 60.3 | 171.2 | 150.2 | 0 | 0 | 111.3 | R46 R50 I65 | R46-E48 PolarHBondContact O-N 2.83Å; E48-R50 IonicContact OE1-NH2 3.74Å; E48-R50 IonicContact OE2-CZ 3.21Å; E48-R50 IonicContact OE2-NE 2.82Å; E48-R50 PolarHBondContact OE2-NE 2.77Å; E48-R50 IonicContact OE2-NH2 2.77Å; E48-R50 PolarHBondContact OE2-NH2 3.19Å; E48-I65 HydrophobicContact CG-CB 4.47Å; E48-I65 PolarHBondContact N-O 3.33Å; E48-I65 PolarHBondContact O-N 2.98Å |
| 49 | C | 87.9 | Confident | 70.4 | Confident | 25 Ų | 25 | 115.5 Ų | 115.5 | 17% | 0.169 | 59% | 0.587 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.3 | 118.7 | 177.3 | -76.6 | 0 | 0 | 0 | 0 | 110.6 | C79 R80 C83 | C49-C79 HydrophobicContact CB-CB 3.85Å; C49-C79 WeakPolarHBondContact CB-SG 3.45Å; C49-C79 VanDerWaalsContact SG-CA 3.56Å; C49-C79 WeakPolarHBondContact SG-CB 3.01Å; C49-C79 PolarHBondContact SG-O 2.87Å; C49-C79 CovalentContact SG-SG 2.03Å; C49-C79 PolarHBondContact SG-SG 3.03Å; C49-R80 HydrophobicContact CB-CG 4.23Å; C49-R80 PolarHBondContact SG-N 2.04Å; C49-C83 WeakPolarHBondContact SG-CB 3.38Å |
| 50 | R | 88.7 | Confident | 72.6 | Confident | 141 Ų | 141 | 110.3 Ų | 110.3 | 53% | 0.532 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.6 | 139.8 | 176.4 | -67.6 | -68.4 | -178.8 | 150.5 | 2.2 | 110.3 | E48 Y62 C63 I65 | E48-R50 IonicContact OE1-NH2 3.74Å; E48-R50 IonicContact OE2-CZ 3.21Å; E48-R50 IonicContact OE2-NE 2.82Å; E48-R50 PolarHBondContact OE2-NE 2.77Å; E48-R50 IonicContact OE2-NH2 2.77Å; E48-R50 PolarHBondContact OE2-NH2 3.19Å; R50-Y62 CarbonylContact O-C 3.47Å; R50-Y62 WeakPolarHBondContact O-CA 3.39Å; R50-C63 PolarHBondContact N-O 3.17Å; R50-C63 PolarHBondContact O-N 3.04Å; R50-I65 HydrophobicContact CB-CG1 4.09Å; R50-I65 HydrophobicContact CG-CG1 4.14Å |
| 51 | Q | 86.9 | Confident | 74.9 | Confident | 123 Ų | 123 | 103.4 Ų | 103.4 | 58% | 0.575 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 124.9 | 167.2 | -170.6 | 176.6 | 9.8 | 0 | 0 | 108.5 | C61 Y62 | Q51-C61 CarbonylContact C-O 3.56Å; Q51-C61 VanDerWaalsContact CA-O 3.25Å; Q51-C61 WeakPolarHBondContact CA-O 3.39Å; Q51-C61 HydrophobicContact CG-CB 4.22Å; Q51-Y62 HydrophobicContact CB-CD1 4.04Å; Q51-Y62 HydrophobicContact CB-CE1 3.89Å; Q51-Y62 HydrophobicContact CG-CD1 4.42Å; Q51-Y62 HydrophobicContact CG-CE1 4.07Å |
| 52 | V | 85.8 | Confident | 77.3 | Confident | 51 Ų | 51 | 103.6 Ų | 103.6 | 31% | 0.309 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -86.6 | 154.8 | 174.7 | -61.6 | 0 | 0 | 0 | 0 | 110.9 | C61 C63 | V52-C61 VanDerWaalsContact CG2-O 3.32Å; V52-C61 WeakPolarHBondContact CG2-O 3.48Å; V52-C61 PolarHBondContact N-O 3.25Å; V52-C63 HydrophobicContact CG1-CB 3.95Å; V52-C63 WeakPolarHBondContact CG1-SG 3.32Å |
| 53 | L | 79.9 | Confident | 79.4 | Confident | 165 Ų | 165 | 97.8 Ų | 97.8 | 86% | 0.864 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 148.4 | 177.1 | -75.3 | 156.6 | 0 | 0 | 0 | 111.2 | ||
| 54 | L | 77.5 | Confident | 81.4 | Confident | 139 Ų | 139 | 91 Ų | 91 | 73% | 0.728 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -71 | 151.8 | 174.3 | -79.1 | 85.6 | 0 | 0 | 0 | 111.1 | ||
| 55 | P | 80.8 | Confident | 83 | Confident | 125 Ų | 125 | 85.9 Ų | 85.9 | 81% | 0.812 | 43% | 0.427 | S | S | * | . | S | Bend | cis | -77.9 | 131.6 | 0.8 | 30.3 | -33.5 | 0 | 0 | 0 | 112.2 | ||
| 56 | C | 81.4 | Confident | 83.9 | Confident | 23 Ų | 23 | 85 Ų | 85 | 16% | 0.155 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 136.5 | 173.2 | -50 | 0 | 0 | 0 | 0 | 109.5 | C61 | C56-C61 HydrophobicContact CB-CB 3.98Å; C56-C61 WeakPolarHBondContact CB-SG 3.4Å; C56-C61 WeakPolarHBondContact SG-CA 3.2Å; C56-C61 WeakPolarHBondContact SG-CB 3.42Å; C56-C61 CovalentContact SG-SG 2.02Å; C56-C61 PolarHBondContact SG-SG 3.41Å |
| 57 | K | 82.6 | Confident | 83.7 | Confident | 166 Ų | 166 | 75.9 Ų | 75.9 | 72% | 0.722 | 40% | 0.399 | S | S | * | . | B | Isolated β-bridge | trans | -72.5 | 129.5 | 174 | -169.4 | -176.4 | 173.1 | 180 | 0 | 109.4 | N59 K60 | K57-N59 PolarHBondContact O-N 2.88Å; K57-N59 VanDerWaalsContact O-N 3.17Å; K57-K60 WeakPolarHBondContact O-CB 3.34Å; K57-K60 PolarHBondContact O-N 3.17Å |
| 58 | D | 85.3 | Confident | 83 | Confident | 115 Ų | 115 | 78.1 Ų | 78.1 | 62% | 0.615 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 33.1 | 176.2 | -50.4 | -47 | 0 | 0 | 0 | 114.7 | K60 | D58-K60 HydrophobicContact CB-CD 4.26Å; D58-K60 PolarHBondContact O-N 2.03Å; D58-K60 VanDerWaalsContact O-N 3.17Å |
| 59 | N | 83.8 | Confident | 82.3 | Confident | 141 Ų | 141 | 78 Ų | 78 | 75% | 0.754 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 15.8 | -171.9 | -58.7 | -42 | 0 | 0 | 0 | 114.9 | K57 | K57-N59 PolarHBondContact O-N 2.88Å; K57-N59 VanDerWaalsContact O-N 3.17Å |
| 60 | K | 88.5 | Confident | 81.7 | Confident | 82 Ų | 82 | 88.5 Ų | 88.5 | 36% | 0.357 | 46% | 0.463 | S | S | . | . | B | Isolated β-bridge | trans | -98.4 | 94.7 | 179.7 | -66.9 | 164.9 | 174.8 | -176.7 | 0 | 110.3 | K57 D58 C72 Y73 | K57-K60 WeakPolarHBondContact O-CB 3.34Å; K57-K60 PolarHBondContact O-N 3.17Å; D58-K60 HydrophobicContact CB-CD 4.26Å; D58-K60 PolarHBondContact O-N 2.03Å; D58-K60 VanDerWaalsContact O-N 3.17Å; K60-C72 HydrophobicContact CB-CB 3.85Å; K60-C72 WeakPolarHBondContact CD-O 3.49Å; K60-Y73 CarbonylContact C-O 3.41Å; K60-Y73 VanDerWaalsContact CA-O 3.26Å; K60-Y73 WeakPolarHBondContact CA-O 2.99Å |
| 61 | C | 88.5 | Confident | 81.6 | Confident | 24 Ų | 24 | 86.6 Ų | 86.6 | 16% | 0.162 | 46% | 0.46 | C | S | . | . | trans | -93.3 | -12.2 | -177.3 | -57.4 | 0 | 0 | 0 | 0 | 113.7 | Q51 V52 C56 Y73 | Q51-C61 CarbonylContact C-O 3.56Å; Q51-C61 VanDerWaalsContact CA-O 3.25Å; Q51-C61 WeakPolarHBondContact CA-O 3.39Å; Q51-C61 HydrophobicContact CG-CB 4.22Å; V52-C61 VanDerWaalsContact CG2-O 3.32Å; V52-C61 WeakPolarHBondContact CG2-O 3.48Å; V52-C61 PolarHBondContact N-O 3.25Å; C56-C61 HydrophobicContact CB-CB 3.98Å; C56-C61 WeakPolarHBondContact CB-SG 3.4Å; C56-C61 WeakPolarHBondContact SG-CA 3.2Å; C56-C61 WeakPolarHBondContact SG-CB 3.42Å; C56-C61 CovalentContact SG-SG 2.02Å; C56-C61 PolarHBondContact SG-SG 3.41Å; C61-Y73 PolarHBondContact N-O 3.29Å | ||
| 62 | Y | 91.2 | Very high | 81.7 | Confident | 53 Ų | 53 | 82.7 Ų | 82.7 | 21% | 0.208 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 108.3 | -173.3 | -60.8 | -84.1 | 0 | 0 | 0 | 110.5 | R50 Q51 C72 Y73 A74 T75 L76 | R50-Y62 CarbonylContact O-C 3.47Å; R50-Y62 WeakPolarHBondContact O-CA 3.39Å; Q51-Y62 HydrophobicContact CB-CD1 4.04Å; Q51-Y62 HydrophobicContact CB-CE1 3.89Å; Q51-Y62 HydrophobicContact CG-CD1 4.42Å; Q51-Y62 HydrophobicContact CG-CE1 4.07Å; Y62-C72 CarbonylContact O-C 3.45Å; Y62-C72 VanDerWaalsContact O-CA 3.24Å; Y62-C72 WeakPolarHBondContact O-CA 3.46Å; Y62-Y73 PolarHBondContact N-O 2.75Å; Y62-Y73 PolarHBondContact O-N 3.43Å; Y62-A74 WeakPolarHBondContact CD2-O 3.26Å; Y62-A74 WeakPolarHBondContact CE2-O 3.24Å; Y62-T75 VanDerWaalsContact CD2-C 3.45Å; Y62-L76 HydrophobicContact CD1-CB 3.76Å; Y62-L76 HydrophobicContact CD1-CD1 4.23Å; Y62-L76 HydrophobicContact CD1-CG 4.32Å; Y62-L76 HydrophobicContact CD2-CB 4.49Å; Y62-L76 HydrophobicContact CE1-CB 3.7Å; Y62-L76 HydrophobicContact CE1-CD1 3.97Å; Y62-L76 HydrophobicContact CE1-CG 4.36Å; Y62-L76 HydrophobicContact CE2-CB 4.44Å; Y62-L76 HydrophobicContact CG-CB 4.16Å |
| 63 | C | 88.3 | Confident | 81.9 | Confident | 12 Ų | 12 | 81.8 Ų | 81.8 | 8% | 0.081 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 141.4 | -178.7 | -53.6 | 0 | 0 | 0 | 0 | 111 | R50 V52 I65 Q71 C72 | R50-C63 PolarHBondContact N-O 3.17Å; R50-C63 PolarHBondContact O-N 3.04Å; V52-C63 HydrophobicContact CG1-CB 3.95Å; V52-C63 WeakPolarHBondContact CG1-SG 3.32Å; C63-I65 HydrophobicContact CB-CD1 4.34Å; C63-Q71 WeakPolarHBondContact CA-O 3.09Å; C63-C72 HydrophobicContact CB-CB 4.11Å; C63-C72 WeakPolarHBondContact CB-SG 3.15Å; C63-C72 WeakPolarHBondContact SG-CB 3.35Å; C63-C72 CovalentContact SG-SG 2.04Å; C63-C72 PolarHBondContact SG-SG 3.21Å |
| 64 | C | 88.4 | Confident | 82.4 | Confident | 2 Ų | 2 | 76.3 Ų | 76.3 | 1% | 0.014 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 122.1 | 170.7 | -175.1 | 0 | 0 | 0 | 0 | 109.7 | T69 Q71 C83 | C64-T69 WeakPolarHBondContact CB-O 2.93Å; C64-Q71 PolarHBondContact N-O 3.04Å; C64-C83 WeakPolarHBondContact CA-SG 3.47Å; C64-C83 HydrophobicContact CB-CB 3.54Å; C64-C83 WeakPolarHBondContact CB-SG 3.09Å; C64-C83 WeakPolarHBondContact SG-CA 3Å; C64-C83 WeakPolarHBondContact SG-CB 3.38Å; C64-C83 CovalentContact SG-SG 2.02Å; C64-C83 PolarHBondContact SG-SG 2.72Å |
| 65 | I | 85.3 | Confident | 83 | Confident | 80 Ų | 80 | 72.6 Ų | 72.6 | 41% | 0.41 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 133 | 177.5 | -50.2 | -59.2 | 0 | 0 | 0 | 107.5 | E48 R50 C63 G67 | E48-I65 HydrophobicContact CG-CB 4.47Å; E48-I65 PolarHBondContact N-O 3.33Å; E48-I65 PolarHBondContact O-N 2.98Å; R50-I65 HydrophobicContact CB-CG1 4.09Å; R50-I65 HydrophobicContact CG-CG1 4.14Å; C63-I65 HydrophobicContact CB-CD1 4.34Å; I65-G67 VanDerWaalsContact C-N 3.27Å; I65-G67 PolarHBondContact O-N 3.31Å |
| 66 | G | 75.2 | Confident | 83.4 | Confident | 32 Ų | 32 | 69.6 Ų | 69.6 | 33% | 0.33 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 80.3 | -3.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | T45 | T45-G66 VanDerWaalsContact O-O 3.08Å; T45-G66 WeakPolarHBondContact OG1-CA 3.49Å |
| 67 | G | 65.7 | Low | 83.7 | Confident | 18 Ų | 18 | 71.9 Ų | 71.9 | 19% | 0.186 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -87.6 | 176.9 | 171 | 0 | 0 | 0 | 0 | 0 | 113.5 | I65 T69 | I65-G67 VanDerWaalsContact C-N 3.27Å; I65-G67 PolarHBondContact O-N 3.31Å; G67-T69 PolarHBondContact O-N 3.46Å |
| 68 | G | 65.2 | Low | 84.1 | Confident | 58 Ų | 58 | 68.5 Ų | 68.5 | 60% | 0.598 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -66.6 | -18.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 69 | T | 72.3 | Confident | 84.3 | Confident | 62 Ų | 62 | 63 Ų | 63 | 38% | 0.38 | 35% | 0.354 | S | S | . | . | trans | -116.7 | 125 | -178.3 | 61.2 | 0 | 0 | 0 | 0 | 110.8 | C64 G67 Q71 | C64-T69 WeakPolarHBondContact CB-O 2.93Å; G67-T69 PolarHBondContact O-N 3.46Å; T69-Q71 PolarHBondContact O-N 2.69Å | ||
| 70 | R | 75.1 | Confident | 84.4 | Confident | 246 Ų | 246 | 64.2 Ų | 64.2 | 93% | 0.928 | 35% | 0.347 | S | S | * | . | trans | -88.5 | 46.3 | 170.1 | -67.8 | -172.7 | 177.5 | -170.8 | -0.6 | 111.1 | ||||
| 71 | Q | 85.3 | Confident | 84.2 | Confident | 101 Ų | 101 | 67.8 Ų | 67.8 | 47% | 0.472 | 37% | 0.365 | S | S | . | . | trans | -95.5 | 143.6 | -175.5 | -166.3 | 162.7 | 12.7 | 0 | 0 | 110.7 | C63 C64 T69 Y73 | C63-Q71 WeakPolarHBondContact CA-O 3.09Å; C64-Q71 PolarHBondContact N-O 3.04Å; T69-Q71 PolarHBondContact O-N 2.69Å; Q71-Y73 HydrophobicContact CB-CE2 3.94Å; Q71-Y73 WeakPolarHBondContact CB-OH 3.42Å; Q71-Y73 HydrophobicContact CG-CE1 4.25Å; Q71-Y73 HydrophobicContact CG-CE2 4.12Å; Q71-Y73 WeakPolarHBondContact O-CE2 2.97Å; Q71-Y73 PolarHBondContact OE1-OH 3.11Å | ||
| 72 | C | 89.2 | Confident | 84 | Confident | 41 Ų | 41 | 68.6 Ų | 68.6 | 28% | 0.277 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 147.5 | 175.6 | -52.6 | 0 | 0 | 0 | 0 | 110.4 | K60 Y62 C63 | K60-C72 HydrophobicContact CB-CB 3.85Å; K60-C72 WeakPolarHBondContact CD-O 3.49Å; Y62-C72 CarbonylContact O-C 3.45Å; Y62-C72 VanDerWaalsContact O-CA 3.24Å; Y62-C72 WeakPolarHBondContact O-CA 3.46Å; C63-C72 HydrophobicContact CB-CB 4.11Å; C63-C72 WeakPolarHBondContact CB-SG 3.15Å; C63-C72 WeakPolarHBondContact SG-CB 3.35Å; C63-C72 CovalentContact SG-SG 2.04Å; C63-C72 PolarHBondContact SG-SG 3.21Å |
| 73 | Y | 90.8 | Very high | 83.8 | Confident | 32 Ų | 32 | 66.5 Ų | 66.5 | 13% | 0.125 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 155.3 | -173.5 | -56.9 | -90.2 | 0 | 0 | 0 | 110.2 | K60 C61 Y62 Q71 T75 E78 C79 A82 | K60-Y73 CarbonylContact C-O 3.41Å; K60-Y73 VanDerWaalsContact CA-O 3.26Å; K60-Y73 WeakPolarHBondContact CA-O 2.99Å; C61-Y73 PolarHBondContact N-O 3.29Å; Y62-Y73 PolarHBondContact N-O 2.75Å; Y62-Y73 PolarHBondContact O-N 3.43Å; Q71-Y73 HydrophobicContact CB-CE2 3.94Å; Q71-Y73 WeakPolarHBondContact CB-OH 3.42Å; Q71-Y73 HydrophobicContact CG-CE1 4.25Å; Q71-Y73 HydrophobicContact CG-CE2 4.12Å; Q71-Y73 WeakPolarHBondContact O-CE2 2.97Å; Q71-Y73 PolarHBondContact OE1-OH 3.11Å; Y73-T75 VanDerWaalsContact C-N 3.33Å; Y73-E78 HydrophobicContact CD1-CB 3.95Å; Y73-E78 HydrophobicContact CG-CB 4.16Å; Y73-C79 VanDerWaalsContact CD2-CA 3.41Å; Y73-C79 HydrophobicContact CD2-CB 3.62Å; Y73-C79 HydrophobicContact CE2-CB 4.45Å; Y73-C79 HydrophobicContact CG-CB 4.07Å; Y73-A82 HydrophobicContact CE1-CB 3.74Å; Y73-A82 HydrophobicContact CE2-CB 4.08Å; Y73-A82 WeakPolarHBondContact OH-CB 3.4Å |
| 74 | A | 90 | Very high | 83.1 | Confident | 50 Ų | 50 | 70.1 Ų | 70.1 | 41% | 0.413 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -71.8 | -34.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y62 E78 | Y62-A74 WeakPolarHBondContact CD2-O 3.26Å; Y62-A74 WeakPolarHBondContact CE2-O 3.24Å; A74-E78 PolarHBondContact N-OE2 2.92Å |
| 75 | T | 90.3 | Very high | 82 | Confident | 62 Ų | 62 | 72.6 Ų | 72.6 | 38% | 0.38 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -119.3 | 151.8 | -179.6 | 70.4 | 0 | 0 | 0 | 0 | 112.4 | Y62 Y73 A77 E78 C79 | Y62-T75 VanDerWaalsContact CD2-C 3.45Å; Y73-T75 VanDerWaalsContact C-N 3.33Å; T75-A77 PolarHBondContact O-N 3.33Å; T75-E78 PolarHBondContact N-OE2 3.33Å; T75-E78 VanDerWaalsContact N-OE2 3.14Å; T75-E78 PolarHBondContact O-N 3.05Å; T75-E78 WeakPolarHBondContact OG1-CB 3.36Å; T75-E78 WeakPolarHBondContact OG1-CG 3.37Å; T75-E78 PolarHBondContact OG1-N 3.42Å; T75-E78 PolarHBondContact OG1-OE2 3.47Å; T75-E78 VanDerWaalsContact OG1-OE2 3.08Å; T75-C79 PolarHBondContact O-N 2.9Å; T75-C79 VanDerWaalsContact O-N 3.11Å |
| 76 | L | 88.6 | Confident | 80.8 | Confident | 62 Ų | 62 | 75.7 Ų | 75.7 | 33% | 0.325 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.1 | -31.4 | 173.8 | 179.8 | 147.6 | 0 | 0 | 0 | 112.1 | Y62 C79 R80 | Y62-L76 HydrophobicContact CD1-CB 3.76Å; Y62-L76 HydrophobicContact CD1-CD1 4.23Å; Y62-L76 HydrophobicContact CD1-CG 4.32Å; Y62-L76 HydrophobicContact CD2-CB 4.49Å; Y62-L76 HydrophobicContact CE1-CB 3.7Å; Y62-L76 HydrophobicContact CE1-CD1 3.97Å; Y62-L76 HydrophobicContact CE1-CG 4.36Å; Y62-L76 HydrophobicContact CE2-CB 4.44Å; Y62-L76 HydrophobicContact CG-CB 4.16Å; L76-C79 PolarHBondContact O-N 2.99Å; L76-R80 HydrophobicContact CD2-CG 4.29Å; L76-R80 VanDerWaalsContact CD2-CZ 3.48Å; L76-R80 WeakPolarHBondContact O-CG 3.5Å; L76-R80 PolarHBondContact O-N 3.09Å |
| 77 | A | 88.7 | Confident | 79.8 | Confident | 70 Ų | 70 | 80.9 Ų | 80.9 | 58% | 0.579 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -67.2 | -48.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | T75 C79 R80 H81 | T75-A77 PolarHBondContact O-N 3.33Å; A77-C79 VanDerWaalsContact C-N 3.31Å; A77-C79 PolarHBondContact O-N 2.9Å; A77-R80 PolarHBondContact O-N 2.02Å; A77-H81 WeakPolarHBondContact O-CB 3.38Å; A77-H81 PolarHBondContact O-N 3.22Å |
| 78 | E | 89.6 | Confident | 79.2 | Confident | 96 Ų | 96 | 84.3 Ų | 84.3 | 45% | 0.449 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 173.5 | -73.5 | 167.5 | 151.9 | 0 | 0 | 111.2 | Y73 A74 T75 R80 H81 A82 | Y73-E78 HydrophobicContact CD1-CB 3.95Å; Y73-E78 HydrophobicContact CG-CB 4.16Å; A74-E78 PolarHBondContact N-OE2 2.92Å; T75-E78 PolarHBondContact N-OE2 3.33Å; T75-E78 VanDerWaalsContact N-OE2 3.14Å; T75-E78 PolarHBondContact O-N 3.05Å; T75-E78 WeakPolarHBondContact OG1-CB 3.36Å; T75-E78 WeakPolarHBondContact OG1-CG 3.37Å; T75-E78 PolarHBondContact OG1-N 3.42Å; T75-E78 PolarHBondContact OG1-OE2 3.47Å; T75-E78 VanDerWaalsContact OG1-OE2 3.08Å; E78-R80 PolarHBondContact O-N 3.2Å; E78-H81 PolarHBondContact O-N 2.63Å; E78-A82 WeakPolarHBondContact O-CB 3.5Å; E78-A82 PolarHBondContact O-N 3.06Å |
| 79 | C | 89.8 | Confident | 78.1 | Confident | 0 Ų | 0 | 92.2 Ų | 92.2 | 0% | 0 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -57.4 | -51.5 | 176.6 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | C49 Y73 T75 L76 A77 H81 A82 C83 | C49-C79 HydrophobicContact CB-CB 3.85Å; C49-C79 WeakPolarHBondContact CB-SG 3.45Å; C49-C79 VanDerWaalsContact SG-CA 3.56Å; C49-C79 WeakPolarHBondContact SG-CB 3.01Å; C49-C79 PolarHBondContact SG-O 2.87Å; C49-C79 CovalentContact SG-SG 2.03Å; C49-C79 PolarHBondContact SG-SG 3.03Å; Y73-C79 VanDerWaalsContact CD2-CA 3.41Å; Y73-C79 HydrophobicContact CD2-CB 3.62Å; Y73-C79 HydrophobicContact CE2-CB 4.45Å; Y73-C79 HydrophobicContact CG-CB 4.07Å; T75-C79 PolarHBondContact O-N 2.9Å; T75-C79 VanDerWaalsContact O-N 3.11Å; L76-C79 PolarHBondContact O-N 2.99Å; A77-C79 VanDerWaalsContact C-N 3.31Å; A77-C79 PolarHBondContact O-N 2.9Å; C79-H81 VanDerWaalsContact C-N 3.28Å; C79-H81 PolarHBondContact O-N 2.82Å; C79-A82 PolarHBondContact O-N 2.81Å; C79-C83 WeakPolarHBondContact O-CA 2.99Å; C79-C83 WeakPolarHBondContact O-CB 3.48Å; C79-C83 PolarHBondContact O-N 2.73Å |
| 80 | R | 85.8 | Confident | 78.4 | Confident | 165 Ų | 165 | 93.7 Ų | 93.7 | 62% | 0.623 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.4 | -34.8 | -178.1 | -76.5 | -179 | 176.6 | 174.9 | 0.9 | 113.1 | C49 L76 A77 E78 | C49-R80 HydrophobicContact CB-CG 4.23Å; C49-R80 PolarHBondContact SG-N 2.04Å; L76-R80 HydrophobicContact CD2-CG 4.29Å; L76-R80 VanDerWaalsContact CD2-CZ 3.48Å; L76-R80 WeakPolarHBondContact O-CG 3.5Å; L76-R80 PolarHBondContact O-N 3.09Å; A77-R80 PolarHBondContact O-N 2.02Å; E78-R80 PolarHBondContact O-N 3.2Å |
| 81 | H | 84.8 | Confident | 78.6 | Confident | 157 Ų | 157 | 85.7 Ų | 85.7 | 73% | 0.727 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -67.9 | -37.4 | 178.1 | -168.2 | 77.3 | 0 | 0 | 0 | 111.9 | A77 E78 C79 L84 | A77-H81 WeakPolarHBondContact O-CB 3.38Å; A77-H81 PolarHBondContact O-N 3.22Å; E78-H81 PolarHBondContact O-N 2.63Å; C79-H81 VanDerWaalsContact C-N 3.28Å; C79-H81 PolarHBondContact O-N 2.82Å; H81-L84 WeakPolarHBondContact O-CG 3.22Å |
| 82 | A | 85.1 | Confident | 78.2 | Confident | 42 Ų | 42 | 84.8 Ų | 84.8 | 35% | 0.347 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -90.7 | -28.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y73 E78 C79 L84 | Y73-A82 HydrophobicContact CE1-CB 3.74Å; Y73-A82 HydrophobicContact CE2-CB 4.08Å; Y73-A82 WeakPolarHBondContact OH-CB 3.4Å; E78-A82 WeakPolarHBondContact O-CB 3.5Å; E78-A82 PolarHBondContact O-N 3.06Å; C79-A82 PolarHBondContact O-N 2.81Å; A82-L84 PolarHBondContact O-N 2.97Å |
| 83 | C | 85.5 | Confident | 77.6 | Confident | 8 Ų | 8 | 87.4 Ų | 87.4 | 5% | 0.054 | 48% | 0.476 | C | S | . | . | trans | -84.4 | 58.4 | 177.4 | -166 | 0 | 0 | 0 | 0 | 109.8 | C49 C64 C79 | C49-C83 WeakPolarHBondContact SG-CB 3.38Å; C64-C83 WeakPolarHBondContact CA-SG 3.47Å; C64-C83 HydrophobicContact CB-CB 3.54Å; C64-C83 WeakPolarHBondContact CB-SG 3.09Å; C64-C83 WeakPolarHBondContact SG-CA 3Å; C64-C83 WeakPolarHBondContact SG-CB 3.38Å; C64-C83 CovalentContact SG-SG 2.02Å; C64-C83 PolarHBondContact SG-SG 2.72Å; C79-C83 WeakPolarHBondContact O-CA 2.99Å; C79-C83 WeakPolarHBondContact O-CB 3.48Å; C79-C83 PolarHBondContact O-N 2.73Å | ||
| 84 | L | 75 | Confident | 76.7 | Confident | 89 Ų | 89 | 90.9 Ų | 90.9 | 47% | 0.466 | 50% | 0.498 | S | S | . | . | trans | -75.7 | 145.3 | 172.9 | -68.2 | 169.8 | 0 | 0 | 0 | 109.2 | A47 H81 A82 L86 | A47-L84 WeakPolarHBondContact CB-O 3Å; H81-L84 WeakPolarHBondContact O-CG 3.22Å; A82-L84 PolarHBondContact O-N 2.97Å; L84-L86 PolarHBondContact O-N 2.64Å | ||
| 85 | P | 65.5 | Low | 75.8 | Confident | 53 Ų | 53 | 93.6 Ų | 93.6 | 34% | 0.344 | 50% | 0.504 | S | S | . | . | trans | -58 | 142 | 167.5 | 25.9 | -31.2 | 0 | 0 | 0 | 108.2 | N87 T88 | P85-N87 PolarHBondContact O-N 2.6Å; P85-T88 HydrophobicContact CG-CG2 4.27Å; P85-T88 PolarHBondContact O-N 2.92Å | ||
| 86 | L | 58.4 | Low | 74.8 | Confident | 146 Ų | 146 | 95.9 Ų | 95.9 | 76% | 0.764 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 0.3 | 178.9 | -80 | 160.2 | 0 | 0 | 0 | 114.7 | L84 | L84-L86 PolarHBondContact O-N 2.64Š|
| 87 | N | 54.8 | Low | 73.8 | Confident | 141 Ų | 141 | 98.5 Ų | 98.5 | 75% | 0.754 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121 | 31.7 | -175.6 | -158.2 | 29.7 | 0 | 0 | 0 | 114.2 | P85 N89 | P85-N87 PolarHBondContact O-N 2.6Å; N87-N89 PolarHBondContact O-N 3.31Å |
| 88 | T | 52.7 | Low | 72.5 | Confident | 89 Ų | 89 | 100.8 Ų | 100.8 | 55% | 0.546 | 52% | 0.523 | S | S | . | . | trans | -89.1 | 82.7 | 158.1 | 51.9 | 0 | 0 | 0 | 0 | 108.4 | P85 | P85-T88 HydrophobicContact CG-CG2 4.27Å; P85-T88 PolarHBondContact O-N 2.92Å | ||
| 89 | N | 43.2 | Very low | 71 | Confident | 224 Ų | 224 | 101.3 Ų | 101.3 | 100% | 1.198 | 53% | 0.529 | S | S | * | . | trans | -74.6 | 0 | 158.7 | -139.5 | -87.5 | 0 | 0 | 0 | 108.5 | N87 | N87-N89 PolarHBondContact O-N 3.31Š|
Retrieved 89 of 89 residues in 83.6 ms
(Link to these results)