| 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 | 41.4 | Very low | 60.1 | Low | 245 Ų | 245 | 141 Ų | 141 | 100% | 1.207 | 74% | 0.744 | S | S | * | * | 0 | 94.8 | 0 | -164.5 | 156.7 | 77.6 | 0 | 0 | 107 | K3 | M1-K3 PolarHBondContact O-N 3.34Š| |||
| 2 | L | 59.3 | Low | 60 | Low | 181 Ų | 181 | 136.1 Ų | 136.1 | 95% | 0.948 | 72% | 0.724 | S | S | * | * | trans | -77.5 | 114.9 | -177.1 | -83.6 | 163 | 0 | 0 | 0 | 108.6 | M4 | L2-M4 PolarHBondContact O-N 3.23Š| ||
| 3 | K | 58.3 | Low | 59.8 | Low | 183 Ų | 183 | 135.9 Ų | 135.9 | 80% | 0.796 | 72% | 0.719 | S | S | * | * | trans | -80 | 109.6 | 178.2 | -161.4 | 176.3 | 168.7 | -177.1 | 0 | 106.7 | M1 D5 | M1-K3 PolarHBondContact O-N 3.34Å; K3-D5 PolarHBondContact O-N 3.45Å | ||
| 4 | M | 70.4 | Confident | 59.8 | Low | 184 Ų | 184 | 134.7 Ų | 134.7 | 91% | 0.906 | 71% | 0.712 | S | S | * | * | trans | -77.5 | 111.4 | 177 | -163.7 | 83 | 174.5 | 0 | 0 | 107.8 | L2 S6 | L2-M4 PolarHBondContact O-N 3.23Å; M4-S6 PolarHBondContact O-N 3.35Å; M4-S6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | D | 65.1 | Low | 59.6 | Low | 121 Ų | 121 | 133.5 Ų | 133.5 | 65% | 0.647 | 71% | 0.706 | S | S | * | * | trans | -70.2 | 104.1 | 179.7 | -73.7 | -51.7 | 0 | 0 | 0 | 110.5 | K3 A7 N8 | K3-D5 PolarHBondContact O-N 3.45Å; D5-A7 PolarHBondContact O-N 3.48Å; D5-A7 VanDerWaalsContact O-N 3.16Å; D5-N8 PolarHBondContact O-N 2.93Å | ||
| 6 | S | 62.8 | Low | 59.4 | Low | 95 Ų | 95 | 128.1 Ų | 128.1 | 66% | 0.664 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -62.4 | -16.9 | 178.2 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | M4 N8 M9 T10 | M4-S6 PolarHBondContact O-N 3.35Å; M4-S6 VanDerWaalsContact O-N 3.1Å; S6-N8 VanDerWaalsContact C-N 3.31Å; S6-N8 PolarHBondContact O-N 2.78Å; S6-M9 PolarHBondContact O-N 3.39Å; S6-T10 PolarHBondContact O-OG1 2.85Å; S6-T10 VanDerWaalsContact O-OG1 3.12Å |
| 7 | A | 61.5 | Low | 59 | Low | 71 Ų | 71 | 127.9 Ų | 127.9 | 59% | 0.587 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -67.1 | -28.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | D5 Q11 | D5-A7 PolarHBondContact O-N 3.48Å; D5-A7 VanDerWaalsContact O-N 3.16Å; A7-Q11 WeakPolarHBondContact O-CB 3.27Å; A7-Q11 PolarHBondContact O-N 3.29Å |
| 8 | N | 61.7 | Low | 58.7 | Low | 107 Ų | 107 | 125.2 Ų | 125.2 | 57% | 0.572 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -75 | -32.6 | -178.5 | -158.4 | -41.6 | 0 | 0 | 0 | 111.7 | D5 S6 T12 | D5-N8 PolarHBondContact O-N 2.93Å; S6-N8 VanDerWaalsContact C-N 3.31Å; S6-N8 PolarHBondContact O-N 2.78Å; N8-T12 WeakPolarHBondContact O-CG2 3.49Å; N8-T12 PolarHBondContact O-N 2.8Å; N8-T12 VanDerWaalsContact O-N 3.11Å; N8-T12 PolarHBondContact O-OG1 2.77Å |
| 9 | M | 63.2 | Low | 58.5 | Low | 140 Ų | 140 | 129.6 Ų | 129.6 | 69% | 0.69 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -71.5 | -40.1 | 179.2 | -168.6 | 168.4 | -178.2 | 0 | 0 | 112.2 | S6 T12 M13 | S6-M9 PolarHBondContact O-N 3.39Å; M9-T12 WeakPolarHBondContact CA-OG1 3.16Å; M9-T12 PolarHBondContact O-OG1 3.43Å; M9-M13 WeakPolarHBondContact O-CB 3.48Å; M9-M13 PolarHBondContact O-N 2.84Å |
| 10 | T | 58.6 | Low | 58.4 | Low | 82 Ų | 82 | 126.7 Ų | 126.7 | 50% | 0.503 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -71.6 | -35.2 | 178.6 | -21.3 | 0 | 0 | 0 | 0 | 111.7 | S6 M13 L14 | S6-T10 PolarHBondContact O-OG1 2.85Å; S6-T10 VanDerWaalsContact O-OG1 3.12Å; T10-M13 PolarHBondContact O-N 3.25Å; T10-L14 WeakPolarHBondContact O-CG 3.3Å; T10-L14 PolarHBondContact O-N 2.78Å |
| 11 | Q | 58.4 | Low | 58.2 | Low | 142 Ų | 142 | 129.1 Ų | 129.1 | 66% | 0.664 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -68.8 | -39.7 | 177.5 | -172.7 | 171.1 | 64.7 | 0 | 0 | 112.5 | A7 M13 N15 | A7-Q11 WeakPolarHBondContact O-CB 3.27Å; A7-Q11 PolarHBondContact O-N 3.29Å; Q11-M13 VanDerWaalsContact C-N 3.33Å; Q11-N15 WeakPolarHBondContact O-CB 2.87Å; Q11-N15 PolarHBondContact O-N 2.82Å; Q11-N15 VanDerWaalsContact O-N 3.08Å |
| 12 | T | 59.5 | Low | 59 | Low | 82 Ų | 82 | 122.7 Ų | 122.7 | 50% | 0.503 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -66.2 | -35 | 172.4 | 46.1 | 0 | 0 | 0 | 0 | 112 | N8 M9 A16 | N8-T12 WeakPolarHBondContact O-CG2 3.49Å; N8-T12 PolarHBondContact O-N 2.8Å; N8-T12 VanDerWaalsContact O-N 3.11Å; N8-T12 PolarHBondContact O-OG1 2.77Å; M9-T12 WeakPolarHBondContact CA-OG1 3.16Å; M9-T12 PolarHBondContact O-OG1 3.43Å; T12-A16 VanDerWaalsContact O-CB 3.3Å; T12-A16 WeakPolarHBondContact O-CB 3.4Å; T12-A16 PolarHBondContact O-N 2.91Å |
| 13 | M | 57.6 | Low | 59.1 | Low | 134 Ų | 134 | 120.7 Ų | 120.7 | 66% | 0.66 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.7 | -46.5 | 173 | -114.1 | -176.4 | 161.1 | 0 | 0 | 113.1 | M9 T10 Q11 N15 A16 E17 | M9-M13 WeakPolarHBondContact O-CB 3.48Å; M9-M13 PolarHBondContact O-N 2.84Å; T10-M13 PolarHBondContact O-N 3.25Å; Q11-M13 VanDerWaalsContact C-N 3.33Å; M13-N15 VanDerWaalsContact C-N 3.32Å; M13-N15 PolarHBondContact O-N 3.42Å; M13-A16 CarbonylContact O-C 3.56Å; M13-A16 PolarHBondContact O-N 3.37Å; M13-A16 VanDerWaalsContact O-N 3.15Å; M13-E17 WeakPolarHBondContact O-CB 3.23Å; M13-E17 PolarHBondContact O-N 3.39Å |
| 14 | L | 59.6 | Low | 59.5 | Low | 119 Ų | 119 | 116.2 Ų | 116.2 | 62% | 0.623 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.4 | -32.8 | 179.2 | -69.9 | 173.5 | 0 | 0 | 0 | 112.7 | T10 E17 S18 | T10-L14 WeakPolarHBondContact O-CG 3.3Å; T10-L14 PolarHBondContact O-N 2.78Å; L14-E17 PolarHBondContact O-N 2.93Å; L14-S18 PolarHBondContact O-N 2.88Å |
| 15 | N | 56.4 | Low | 59.6 | Low | 117 Ų | 117 | 108.3 Ų | 108.3 | 63% | 0.626 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -79.5 | -19.7 | 175 | -156.3 | 25.1 | 0 | 0 | 0 | 112.9 | Q11 M13 S18 | Q11-N15 WeakPolarHBondContact O-CB 2.87Å; Q11-N15 PolarHBondContact O-N 2.82Å; Q11-N15 VanDerWaalsContact O-N 3.08Å; M13-N15 VanDerWaalsContact C-N 3.32Å; M13-N15 PolarHBondContact O-N 3.42Å; N15-S18 PolarHBondContact O-OG 3.3Å |
| 16 | A | 56.5 | Low | 60.3 | Low | 47 Ų | 47 | 106.4 Ų | 106.4 | 39% | 0.388 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -82 | -31.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T12 M13 S18 R19 | T12-A16 VanDerWaalsContact O-CB 3.3Å; T12-A16 WeakPolarHBondContact O-CB 3.4Å; T12-A16 PolarHBondContact O-N 2.91Å; M13-A16 CarbonylContact O-C 3.56Å; M13-A16 PolarHBondContact O-N 3.37Å; M13-A16 VanDerWaalsContact O-N 3.15Å; A16-S18 VanDerWaalsContact C-N 3.31Å; A16-S18 PolarHBondContact O-N 3.32Å; A16-R19 WeakPolarHBondContact O-CB 3.07Å; A16-R19 PolarHBondContact O-N 2.89Å; A16-R19 VanDerWaalsContact O-N 3.1Å |
| 17 | E | 53.3 | Low | 61.4 | Low | 124 Ų | 124 | 107.9 Ų | 107.9 | 58% | 0.579 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.7 | -32.6 | 177.6 | -163.5 | 87 | 114.1 | 0 | 0 | 112.1 | M13 L14 R19 N20 | M13-E17 WeakPolarHBondContact O-CB 3.23Å; M13-E17 PolarHBondContact O-N 3.39Å; L14-E17 PolarHBondContact O-N 2.93Å; E17-R19 PolarHBondContact O-N 2.9Å; E17-N20 WeakPolarHBondContact O-CB 3.37Å; E17-N20 PolarHBondContact O-N 3.44Å; E17-N20 PolarHBondContact OE2-ND2 3.18Å |
| 18 | S | 52.3 | Low | 62.6 | Low | 79 Ų | 79 | 111.5 Ų | 111.5 | 55% | 0.552 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -15.4 | 174.4 | 73.8 | 0 | 0 | 0 | 0 | 113.8 | L14 N15 A16 | L14-S18 PolarHBondContact O-N 2.88Å; N15-S18 PolarHBondContact O-OG 3.3Å; A16-S18 VanDerWaalsContact C-N 3.31Å; A16-S18 PolarHBondContact O-N 3.32Å |
| 19 | R | 56.3 | Low | 63.9 | Low | 209 Ų | 209 | 111.9 Ų | 111.9 | 79% | 0.789 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -10.6 | 170.9 | -67 | 179 | 171.4 | 162.9 | -2.6 | 113 | A16 E17 M21 | A16-R19 WeakPolarHBondContact O-CB 3.07Å; A16-R19 PolarHBondContact O-N 2.89Å; A16-R19 VanDerWaalsContact O-N 3.1Å; E17-R19 PolarHBondContact O-N 2.9Å; R19-M21 VanDerWaalsContact C-N 3.32Å; R19-M21 PolarHBondContact O-N 3.09Å |
| 20 | N | 55.5 | Low | 65.3 | Low | 71 Ų | 71 | 113 Ų | 113 | 38% | 0.38 | 56% | 0.56 | S | S | . | * | trans | -88.7 | 15 | -178.4 | -74.9 | -47.5 | 0 | 0 | 0 | 113.9 | E17 E22 | E17-N20 WeakPolarHBondContact O-CB 3.37Å; E17-N20 PolarHBondContact O-N 3.44Å; E17-N20 PolarHBondContact OE2-ND2 3.18Å; N20-E22 PolarHBondContact O-N 2.82Å; N20-E22 VanDerWaalsContact O-N 3.13Å | ||
| 21 | M | 54 | Low | 66.9 | Low | 178 Ų | 178 | 112.9 Ų | 112.9 | 88% | 0.877 | 56% | 0.555 | S | S | * | * | trans | -76.4 | 9.1 | -178 | -121.7 | 174.8 | 74 | 0 | 0 | 114.7 | R19 | R19-M21 VanDerWaalsContact C-N 3.32Å; R19-M21 PolarHBondContact O-N 3.09Å | ||
| 22 | E | 58.5 | Low | 68.6 | Low | 110 Ų | 110 | 111.3 Ų | 111.3 | 51% | 0.514 | 55% | 0.551 | S | S | . | * | trans | -138.5 | 97.5 | -171.3 | -168.6 | 172.2 | -179.5 | 0 | 0 | 109.9 | N20 N24 S25 | N20-E22 PolarHBondContact O-N 2.82Å; N20-E22 VanDerWaalsContact O-N 3.13Å; E22-N24 HydrophobicContact CG-CB 4.09Å; E22-N24 PolarHBondContact O-N 3.5Å; E22-S25 VanDerWaalsContact O-CB 3.29Å; E22-S25 WeakPolarHBondContact O-CB 3.32Å; E22-S25 PolarHBondContact O-N 2.77Å; E22-S25 PolarHBondContact O-OG 3.1Å | ||
| 23 | N | 62.4 | Low | 70.3 | Confident | 139 Ų | 139 | 111.7 Ų | 111.7 | 74% | 0.743 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -55.6 | -21.1 | 179.9 | -61.5 | -17.4 | 0 | 0 | 0 | 113.2 | ||
| 24 | N | 66.4 | Low | 72.1 | Confident | 90 Ų | 90 | 108.5 Ų | 108.5 | 48% | 0.481 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.5 | -31 | 172.7 | -54.2 | -39.7 | 0 | 0 | 0 | 112.7 | E22 N26 E27 Y28 | E22-N24 HydrophobicContact CG-CB 4.09Å; E22-N24 PolarHBondContact O-N 3.5Å; N24-N26 VanDerWaalsContact C-N 3.29Å; N24-N26 PolarHBondContact O-N 2.79Å; N24-E27 PolarHBondContact O-N 2.77Å; N24-Y28 HydrophobicContact CB-CD2 4.4Å; N24-Y28 HydrophobicContact CB-CE2 4.01Å; N24-Y28 WeakPolarHBondContact O-CD2 3.22Å; N24-Y28 PolarHBondContact O-N 3.45Å; N24-Y28 VanDerWaalsContact O-N 3.13Å |
| 25 | S | 72.6 | Confident | 73.8 | Confident | 18 Ų | 18 | 108.9 Ų | 108.9 | 13% | 0.126 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -62.4 | -36 | -179.1 | 68.7 | 0 | 0 | 0 | 0 | 112.3 | E22 E27 Y28 F29 | E22-S25 VanDerWaalsContact O-CB 3.29Å; E22-S25 WeakPolarHBondContact O-CB 3.32Å; E22-S25 PolarHBondContact O-N 2.77Å; E22-S25 PolarHBondContact O-OG 3.1Å; S25-E27 VanDerWaalsContact C-N 3.35Å; S25-E27 PolarHBondContact O-N 3.02Å; S25-Y28 PolarHBondContact O-N 3.2Å; S25-F29 WeakPolarHBondContact O-CD2 3.28Å; S25-F29 WeakPolarHBondContact O-CG 3.21Å; S25-F29 PolarHBondContact O-N 2.87Å |
| 26 | N | 79.3 | Confident | 75.7 | Confident | 80 Ų | 80 | 106.3 Ų | 106.3 | 43% | 0.428 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67 | -34.8 | 179 | -64.7 | -44.8 | 0 | 0 | 0 | 112.6 | N24 F29 Y30 | N24-N26 VanDerWaalsContact C-N 3.29Å; N24-N26 PolarHBondContact O-N 2.79Å; N26-F29 PolarHBondContact O-N 3.43Å; N26-Y30 PolarHBondContact O-N 2.96Å; N26-Y30 VanDerWaalsContact O-N 3.07Å |
| 27 | E | 85.2 | Confident | 77.6 | Confident | 127 Ų | 127 | 110.9 Ų | 110.9 | 59% | 0.593 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.3 | -44.2 | 172.7 | -175 | 176.9 | 179.8 | 0 | 0 | 111 | N24 S25 F29 Y30 I31 | N24-E27 PolarHBondContact O-N 2.77Å; S25-E27 VanDerWaalsContact C-N 3.35Å; S25-E27 PolarHBondContact O-N 3.02Å; E27-F29 VanDerWaalsContact C-N 3.28Å; E27-F29 PolarHBondContact O-N 2.9Å; E27-Y30 WeakPolarHBondContact O-CB 3.42Å; E27-Y30 PolarHBondContact O-N 3.39Å; E27-Y30 VanDerWaalsContact O-N 3.1Å; E27-I31 HydrophobicContact CG-CD1 4.24Å; E27-I31 WeakPolarHBondContact O-CG1 3.46Å; E27-I31 PolarHBondContact O-N 2.92Å |
| 28 | Y | 87.6 | Confident | 79.7 | Confident | 147 Ų | 147 | 111.8 Ų | 111.8 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.8 | -38.5 | 172.3 | -68.3 | -65.6 | 0 | 0 | 0 | 112.1 | N24 S25 Y30 I31 L32 | N24-Y28 HydrophobicContact CB-CD2 4.4Å; N24-Y28 HydrophobicContact CB-CE2 4.01Å; N24-Y28 WeakPolarHBondContact O-CD2 3.22Å; N24-Y28 PolarHBondContact O-N 3.45Å; N24-Y28 VanDerWaalsContact O-N 3.13Å; S25-Y28 PolarHBondContact O-N 3.2Å; Y28-Y30 VanDerWaalsContact C-N 3.34Å; Y28-Y30 PolarHBondContact O-N 3.07Å; Y28-I31 HydrophobicContact CD1-CD1 4.38Å; Y28-I31 PolarHBondContact O-N 2.96Å; Y28-L32 WeakPolarHBondContact O-CB 3.49Å; Y28-L32 WeakPolarHBondContact O-CG 3.47Å; Y28-L32 PolarHBondContact O-N 3.31Å |
| 29 | F | 89 | Confident | 81.8 | Confident | 114 Ų | 114 | 109.5 Ų | 109.5 | 50% | 0.5 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 173.9 | -75.9 | -60.7 | 0 | 0 | 0 | 112 | S25 N26 E27 I31 L32 I33 | S25-F29 WeakPolarHBondContact O-CD2 3.28Å; S25-F29 WeakPolarHBondContact O-CG 3.21Å; S25-F29 PolarHBondContact O-N 2.87Å; N26-F29 PolarHBondContact O-N 3.43Å; E27-F29 VanDerWaalsContact C-N 3.28Å; E27-F29 PolarHBondContact O-N 2.9Å; F29-I31 VanDerWaalsContact C-N 3.35Å; F29-I31 PolarHBondContact O-N 3.45Å; F29-L32 HydrophobicContact CD1-CD1 4.32Å; F29-L32 PolarHBondContact O-N 3.4Å; F29-I33 WeakPolarHBondContact O-CB 3.48Å; F29-I33 WeakPolarHBondContact O-CD1 3.35Å; F29-I33 WeakPolarHBondContact O-CG1 3.35Å; F29-I33 PolarHBondContact O-N 2.9Å |
| 30 | Y | 92.8 | Very high | 83.8 | Confident | 165 Ų | 165 | 104.4 Ų | 104.4 | 65% | 0.647 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.8 | -45.1 | 173.8 | -176.3 | -100.3 | 0 | 0 | 0 | 111.6 | N26 E27 Y28 L32 I33 V34 | N26-Y30 PolarHBondContact O-N 2.96Å; N26-Y30 VanDerWaalsContact O-N 3.07Å; E27-Y30 WeakPolarHBondContact O-CB 3.42Å; E27-Y30 PolarHBondContact O-N 3.39Å; E27-Y30 VanDerWaalsContact O-N 3.1Å; Y28-Y30 VanDerWaalsContact C-N 3.34Å; Y28-Y30 PolarHBondContact O-N 3.07Å; Y30-L32 PolarHBondContact O-N 3.08Å; Y30-I33 PolarHBondContact O-N 2.8Å; Y30-V34 HydrophobicContact CD1-CG2 4.18Å; Y30-V34 HydrophobicContact CE1-CG2 3.82Å; Y30-V34 HydrophobicContact CE2-CG2 4.2Å; Y30-V34 WeakPolarHBondContact O-CB 3.4Å; Y30-V34 VanDerWaalsContact O-CG2 3.28Å; Y30-V34 WeakPolarHBondContact O-CG2 3.43Å; Y30-V34 PolarHBondContact O-N 2.98Å |
| 31 | I | 91.9 | Very high | 85.7 | Confident | 78 Ų | 78 | 107.3 Ų | 107.3 | 40% | 0.4 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 176.3 | -63.1 | 163.9 | 0 | 0 | 0 | 110.8 | E27 Y28 F29 I33 V34 M35 | E27-I31 HydrophobicContact CG-CD1 4.24Å; E27-I31 WeakPolarHBondContact O-CG1 3.46Å; E27-I31 PolarHBondContact O-N 2.92Å; Y28-I31 HydrophobicContact CD1-CD1 4.38Å; Y28-I31 PolarHBondContact O-N 2.96Å; F29-I31 VanDerWaalsContact C-N 3.35Å; F29-I31 PolarHBondContact O-N 3.45Å; I31-I33 VanDerWaalsContact C-N 3.33Å; I31-I33 PolarHBondContact O-N 2.79Å; I31-V34 PolarHBondContact O-N 2.91Å; I31-M35 HydrophobicContact CG2-CG 4.07Å; I31-M35 WeakPolarHBondContact O-CB 3.33Å; I31-M35 WeakPolarHBondContact O-CG 3.5Å; I31-M35 PolarHBondContact O-N 3.47Å |
| 32 | L | 93.4 | Very high | 87.7 | Confident | 110 Ų | 110 | 102.1 Ų | 102.1 | 58% | 0.576 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.1 | -42.4 | 178.5 | -72.6 | 173.3 | 0 | 0 | 0 | 111.8 | Y28 F29 Y30 S36 | Y28-L32 WeakPolarHBondContact O-CB 3.49Å; Y28-L32 WeakPolarHBondContact O-CG 3.47Å; Y28-L32 PolarHBondContact O-N 3.31Å; F29-L32 HydrophobicContact CD1-CD1 4.32Å; F29-L32 PolarHBondContact O-N 3.4Å; Y30-L32 PolarHBondContact O-N 3.08Å; L32-S36 WeakPolarHBondContact O-CB 3.34Å; L32-S36 PolarHBondContact O-N 3.49Å |
| 33 | I | 94.6 | Very high | 89.4 | Confident | 90 Ų | 90 | 102.4 Ų | 102.4 | 46% | 0.462 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.4 | -49.3 | 177.7 | -70.1 | 164.6 | 0 | 0 | 0 | 110.1 | F29 Y30 I31 S36 F37 | F29-I33 WeakPolarHBondContact O-CB 3.48Å; F29-I33 WeakPolarHBondContact O-CD1 3.35Å; F29-I33 WeakPolarHBondContact O-CG1 3.35Å; F29-I33 PolarHBondContact O-N 2.9Å; Y30-I33 PolarHBondContact O-N 2.8Å; I31-I33 VanDerWaalsContact C-N 3.33Å; I31-I33 PolarHBondContact O-N 2.79Å; I33-S36 PolarHBondContact O-N 2.88Å; I33-F37 HydrophobicContact CG2-CD2 3.55Å; I33-F37 HydrophobicContact CG2-CE2 3.55Å; I33-F37 WeakPolarHBondContact O-CB 3.33Å; I33-F37 VanDerWaalsContact O-CD2 3.23Å; I33-F37 WeakPolarHBondContact O-CD2 3.49Å; I33-F37 PolarHBondContact O-N 2.89Å |
| 34 | V | 96.3 | Very high | 91 | Very high | 66 Ų | 66 | 97.6 Ų | 97.6 | 40% | 0.4 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.3 | -46.6 | -179.3 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | Y30 I31 S36 F37 Y38 | Y30-V34 HydrophobicContact CD1-CG2 4.18Å; Y30-V34 HydrophobicContact CE1-CG2 3.82Å; Y30-V34 HydrophobicContact CE2-CG2 4.2Å; Y30-V34 WeakPolarHBondContact O-CB 3.4Å; Y30-V34 VanDerWaalsContact O-CG2 3.28Å; Y30-V34 WeakPolarHBondContact O-CG2 3.43Å; Y30-V34 PolarHBondContact O-N 2.98Å; I31-V34 PolarHBondContact O-N 2.91Å; V34-S36 VanDerWaalsContact C-N 3.34Å; V34-S36 PolarHBondContact O-N 3.35Å; V34-F37 PolarHBondContact O-N 3.39Å; V34-Y38 VanDerWaalsContact O-CB 3.3Å; V34-Y38 WeakPolarHBondContact O-CB 3.48Å; V34-Y38 PolarHBondContact O-N 2.76Å |
| 35 | M | 94.8 | Very high | 92.3 | Very high | 127 Ų | 127 | 97.3 Ų | 97.3 | 63% | 0.626 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.5 | -36.5 | 179.5 | -66.2 | -63.6 | -92.7 | 0 | 0 | 111.9 | I31 G39 | I31-M35 HydrophobicContact CG2-CG 4.07Å; I31-M35 WeakPolarHBondContact O-CB 3.33Å; I31-M35 WeakPolarHBondContact O-CG 3.5Å; I31-M35 PolarHBondContact O-N 3.47Å; M35-G39 PolarHBondContact O-N 3.07Å |
| 36 | S | 96.5 | Very high | 93.2 | Very high | 63 Ų | 63 | 101.2 Ų | 101.2 | 44% | 0.441 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.2 | -49.1 | 175 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | L32 I33 V34 Y38 G39 I40 | L32-S36 WeakPolarHBondContact O-CB 3.34Å; L32-S36 PolarHBondContact O-N 3.49Å; I33-S36 PolarHBondContact O-N 2.88Å; V34-S36 VanDerWaalsContact C-N 3.34Å; V34-S36 PolarHBondContact O-N 3.35Å; S36-Y38 VanDerWaalsContact C-N 3.26Å; S36-Y38 PolarHBondContact O-N 3.45Å; S36-G39 PolarHBondContact O-N 3.31Å; S36-G39 VanDerWaalsContact O-N 3.16Å; S36-I40 WeakPolarHBondContact O-CG1 3.45Å; S36-I40 PolarHBondContact O-N 3.36Å |
| 37 | F | 97.6 | Very high | 93.7 | Very high | 143 Ų | 143 | 102.8 Ų | 102.8 | 63% | 0.627 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.8 | -40.7 | 175.4 | -86.7 | -62.7 | 0 | 0 | 0 | 111.5 | I33 V34 I40 F41 | I33-F37 HydrophobicContact CG2-CD2 3.55Å; I33-F37 HydrophobicContact CG2-CE2 3.55Å; I33-F37 WeakPolarHBondContact O-CB 3.33Å; I33-F37 VanDerWaalsContact O-CD2 3.23Å; I33-F37 WeakPolarHBondContact O-CD2 3.49Å; I33-F37 PolarHBondContact O-N 2.89Å; V34-F37 PolarHBondContact O-N 3.39Å; F37-I40 PolarHBondContact O-N 2.87Å; F37-F41 WeakPolarHBondContact O-CB 3.05Å; F37-F41 PolarHBondContact O-N 3.34Å |
| 38 | Y | 96.9 | Very high | 94 | Very high | 144 Ų | 144 | 98.2 Ų | 98.2 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.4 | -48 | 174.8 | -179.6 | -103.3 | 0 | 0 | 0 | 111.8 | V34 S36 F41 L42 | V34-Y38 VanDerWaalsContact O-CB 3.3Å; V34-Y38 WeakPolarHBondContact O-CB 3.48Å; V34-Y38 PolarHBondContact O-N 2.76Å; S36-Y38 VanDerWaalsContact C-N 3.26Å; S36-Y38 PolarHBondContact O-N 3.45Å; Y38-F41 PolarHBondContact O-N 2.92Å; Y38-L42 HydrophobicContact CD1-CD1 4.08Å; Y38-L42 HydrophobicContact CE1-CD1 3.47Å; Y38-L42 VanDerWaalsContact CE1-CD1 3.47Å; Y38-L42 HydrophobicContact CE1-CG 4.26Å; Y38-L42 HydrophobicContact CE2-CD1 4.3Å; Y38-L42 HydrophobicContact CE2-CG 4.39Å; Y38-L42 WeakPolarHBondContact O-CB 3.3Å; Y38-L42 WeakPolarHBondContact O-CG 3.47Å; Y38-L42 PolarHBondContact O-N 3.34Å |
| 39 | G | 96.6 | Very high | 94 | Very high | 30 Ų | 30 | 97 Ų | 97 | 31% | 0.309 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.4 | -46.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | M35 S36 F41 L42 I43 | M35-G39 PolarHBondContact O-N 3.07Å; S36-G39 PolarHBondContact O-N 3.31Å; S36-G39 VanDerWaalsContact O-N 3.16Å; G39-F41 VanDerWaalsContact C-N 3.32Å; G39-F41 PolarHBondContact O-N 3.43Å; G39-L42 PolarHBondContact O-N 2.9Å; G39-I43 PolarHBondContact O-N 3.49Å |
| 40 | I | 97.2 | Very high | 93.7 | Very high | 103 Ų | 103 | 96.5 Ų | 96.5 | 53% | 0.528 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 178 | -63.8 | 165.9 | 0 | 0 | 0 | 110.5 | S36 F37 I43 G44 | S36-I40 WeakPolarHBondContact O-CG1 3.45Å; S36-I40 PolarHBondContact O-N 3.36Å; F37-I40 PolarHBondContact O-N 2.87Å; I40-I43 PolarHBondContact O-N 2.92Å; I40-G44 WeakPolarHBondContact O-CA 3.31Å; I40-G44 PolarHBondContact O-N 3.43Å |
| 41 | F | 96.9 | Very high | 92.9 | Very high | 132 Ų | 132 | 96 Ų | 96 | 58% | 0.579 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.9 | -45.9 | 176.3 | -179.8 | -102 | 0 | 0 | 0 | 111 | F37 Y38 G39 G44 I45 | F37-F41 WeakPolarHBondContact O-CB 3.05Å; F37-F41 PolarHBondContact O-N 3.34Å; Y38-F41 PolarHBondContact O-N 2.92Å; G39-F41 VanDerWaalsContact C-N 3.32Å; G39-F41 PolarHBondContact O-N 3.43Å; F41-G44 CarbonylContact O-C 3.39Å; F41-G44 WeakPolarHBondContact O-CA 2.94Å; F41-G44 PolarHBondContact O-N 3.33Å; F41-G44 VanDerWaalsContact O-N 3.1Å; F41-I45 HydrophobicContact CD1-CD1 4.39Å; F41-I45 HydrophobicContact CD1-CG2 4.33Å; F41-I45 HydrophobicContact CD2-CG2 4.28Å; F41-I45 HydrophobicContact CE1-CD1 4.08Å; F41-I45 HydrophobicContact CE1-CG2 3.93Å; F41-I45 HydrophobicContact CE2-CG2 3.87Å; F41-I45 HydrophobicContact CG-CG2 4.5Å; F41-I45 HydrophobicContact CZ-CG2 3.69Å; F41-I45 WeakPolarHBondContact O-CG1 3.4Å; F41-I45 WeakPolarHBondContact O-CG2 3.48Å; F41-I45 PolarHBondContact O-N 3.39Å |
| 42 | L | 95.1 | Very high | 91.7 | Very high | 69 Ų | 69 | 96.7 Ų | 96.7 | 36% | 0.361 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.2 | -47 | 175 | -73.1 | -173 | 0 | 0 | 0 | 112 | Y38 G39 G44 I45 M46 | Y38-L42 HydrophobicContact CD1-CD1 4.08Å; Y38-L42 HydrophobicContact CE1-CD1 3.47Å; Y38-L42 VanDerWaalsContact CE1-CD1 3.47Å; Y38-L42 HydrophobicContact CE1-CG 4.26Å; Y38-L42 HydrophobicContact CE2-CD1 4.3Å; Y38-L42 HydrophobicContact CE2-CG 4.39Å; Y38-L42 WeakPolarHBondContact O-CB 3.3Å; Y38-L42 WeakPolarHBondContact O-CG 3.47Å; Y38-L42 PolarHBondContact O-N 3.34Å; G39-L42 PolarHBondContact O-N 2.9Å; L42-G44 VanDerWaalsContact C-N 3.26Å; L42-G44 PolarHBondContact O-N 2.9Å; L42-I45 HydrophobicContact CD2-CD1 3.89Å; L42-I45 VanDerWaalsContact O-CG1 3.28Å; L42-I45 WeakPolarHBondContact O-CG1 3.28Å; L42-M46 WeakPolarHBondContact O-CB 3.18Å; L42-M46 PolarHBondContact O-N 2.95Å |
| 43 | I | 95.1 | Very high | 90.4 | Very high | 115 Ų | 115 | 97.1 Ų | 97.1 | 59% | 0.59 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.5 | -41.9 | 172.7 | -102 | 73.8 | 0 | 0 | 0 | 110.5 | G39 I40 M46 L47 | G39-I43 PolarHBondContact O-N 3.49Å; I40-I43 PolarHBondContact O-N 2.92Å; I43-M46 PolarHBondContact O-N 3.16Å; I43-L47 WeakPolarHBondContact O-CB 3.18Å; I43-L47 PolarHBondContact O-N 3.27Å |
| 44 | G | 95 | Very high | 88.8 | Confident | 39 Ų | 39 | 98 Ų | 98 | 40% | 0.402 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.6 | -45.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I40 F41 L42 G48 | I40-G44 WeakPolarHBondContact O-CA 3.31Å; I40-G44 PolarHBondContact O-N 3.43Å; F41-G44 CarbonylContact O-C 3.39Å; F41-G44 WeakPolarHBondContact O-CA 2.94Å; F41-G44 PolarHBondContact O-N 3.33Å; F41-G44 VanDerWaalsContact O-N 3.1Å; L42-G44 VanDerWaalsContact C-N 3.26Å; L42-G44 PolarHBondContact O-N 2.9Å; G44-G48 WeakPolarHBondContact O-CA 3.12Å; G44-G48 PolarHBondContact O-N 3.47Å |
| 45 | I | 93.9 | Very high | 87 | Confident | 84 Ų | 84 | 103 Ų | 103 | 43% | 0.431 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.6 | -36 | 176 | 67.3 | 179.1 | 0 | 0 | 0 | 111.2 | F41 L42 G48 Y49 | F41-I45 HydrophobicContact CD1-CD1 4.39Å; F41-I45 HydrophobicContact CD1-CG2 4.33Å; F41-I45 HydrophobicContact CD2-CG2 4.28Å; F41-I45 HydrophobicContact CE1-CD1 4.08Å; F41-I45 HydrophobicContact CE1-CG2 3.93Å; F41-I45 HydrophobicContact CE2-CG2 3.87Å; F41-I45 HydrophobicContact CG-CG2 4.5Å; F41-I45 HydrophobicContact CZ-CG2 3.69Å; F41-I45 WeakPolarHBondContact O-CG1 3.4Å; F41-I45 WeakPolarHBondContact O-CG2 3.48Å; F41-I45 PolarHBondContact O-N 3.39Å; L42-I45 HydrophobicContact CD2-CD1 3.89Å; L42-I45 VanDerWaalsContact O-CG1 3.28Å; L42-I45 WeakPolarHBondContact O-CG1 3.28Å; I45-G48 PolarHBondContact O-N 3.13Å; I45-Y49 WeakPolarHBondContact O-CB 3.23Å; I45-Y49 PolarHBondContact O-N 3.1Å |
| 46 | M | 91.8 | Very high | 85.2 | Confident | 100 Ų | 100 | 103.7 Ų | 103.7 | 49% | 0.493 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.1 | -46.4 | 173.4 | -111.7 | -71 | 110.6 | 0 | 0 | 111.2 | L42 I43 Y49 M50 | L42-M46 WeakPolarHBondContact O-CB 3.18Å; L42-M46 PolarHBondContact O-N 2.95Å; I43-M46 PolarHBondContact O-N 3.16Å; M46-Y49 HydrophobicContact CE-CD1 3.6Å; M46-Y49 HydrophobicContact CE-CE1 4.27Å; M46-Y49 HydrophobicContact CE-CG 4.17Å; M46-Y49 WeakPolarHBondContact O-CB 3.32Å; M46-Y49 PolarHBondContact O-N 3.36Å; M46-M50 WeakPolarHBondContact O-CB 3.33Å; M46-M50 VanDerWaalsContact O-CG 3.22Å; M46-M50 WeakPolarHBondContact O-CG 3.37Å; M46-M50 PolarHBondContact O-N 2.99Å; M46-M50 HydrophobicContact SD-CG 4.34Å; M46-M50 HydrophobicContact SD-SD 4.41Å |
| 47 | L | 90.1 | Very high | 83.4 | Confident | 112 Ų | 112 | 107.9 Ų | 107.9 | 59% | 0.586 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.3 | -35.5 | 178.7 | -163.3 | 67 | 0 | 0 | 0 | 111.4 | I43 K51 | I43-L47 WeakPolarHBondContact O-CB 3.18Å; I43-L47 PolarHBondContact O-N 3.27Å; L47-K51 WeakPolarHBondContact O-CB 3.35Å; L47-K51 PolarHBondContact O-N 3.25Å |
| 48 | G | 91.2 | Very high | 81.5 | Confident | 32 Ų | 32 | 106.1 Ų | 106.1 | 33% | 0.33 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G44 I45 S52 | G44-G48 WeakPolarHBondContact O-CA 3.12Å; G44-G48 PolarHBondContact O-N 3.47Å; I45-G48 PolarHBondContact O-N 3.13Å; G48-S52 VanDerWaalsContact O-CB 3.27Å; G48-S52 WeakPolarHBondContact O-CB 3.13Å; G48-S52 PolarHBondContact O-N 3.28Å; G48-S52 PolarHBondContact O-OG 3.47Å |
| 49 | Y | 86.8 | Confident | 79.5 | Confident | 122 Ų | 122 | 102.4 Ų | 102.4 | 48% | 0.478 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.5 | -50.2 | 174.6 | 177.7 | -98.4 | 0 | 0 | 0 | 111.4 | I45 M46 K51 S52 K53 | I45-Y49 WeakPolarHBondContact O-CB 3.23Å; I45-Y49 PolarHBondContact O-N 3.1Å; M46-Y49 HydrophobicContact CE-CD1 3.6Å; M46-Y49 HydrophobicContact CE-CE1 4.27Å; M46-Y49 HydrophobicContact CE-CG 4.17Å; M46-Y49 WeakPolarHBondContact O-CB 3.32Å; M46-Y49 PolarHBondContact O-N 3.36Å; Y49-K51 VanDerWaalsContact C-N 3.34Å; Y49-K51 PolarHBondContact O-N 2.95Å; Y49-S52 PolarHBondContact O-N 3.5Å; Y49-K53 HydrophobicContact CE1-CD 3.78Å; Y49-K53 VanDerWaalsContact O-CB 3.3Å; Y49-K53 WeakPolarHBondContact O-CB 3.2Å; Y49-K53 PolarHBondContact O-N 3.07Å; Y49-K53 PolarHBondContact OH-NZ 2.8Å |
| 50 | M | 82.7 | Confident | 77.6 | Confident | 102 Ų | 102 | 105.9 Ų | 105.9 | 50% | 0.502 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 176.1 | -71.5 | 178 | 78.5 | 0 | 0 | 111 | M46 K53 K54 | M46-M50 WeakPolarHBondContact O-CB 3.33Å; M46-M50 VanDerWaalsContact O-CG 3.22Å; M46-M50 WeakPolarHBondContact O-CG 3.37Å; M46-M50 PolarHBondContact O-N 2.99Å; M46-M50 HydrophobicContact SD-CG 4.34Å; M46-M50 HydrophobicContact SD-SD 4.41Å; M50-K53 PolarHBondContact O-N 3.45Å; M50-K54 WeakPolarHBondContact O-CA 3.4Å; M50-K54 WeakPolarHBondContact O-CB 3.35Å; M50-K54 PolarHBondContact O-N 3.48Å |
| 51 | K | 76.7 | Confident | 76 | Confident | 154 Ų | 154 | 107 Ų | 107 | 67% | 0.67 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.9 | -36.4 | 178.2 | -173.7 | 176.6 | 174.7 | -179 | 0 | 112.1 | L47 Y49 | L47-K51 WeakPolarHBondContact O-CB 3.35Å; L47-K51 PolarHBondContact O-N 3.25Å; Y49-K51 VanDerWaalsContact C-N 3.34Å; Y49-K51 PolarHBondContact O-N 2.95Å |
| 52 | S | 67.1 | Low | 74.3 | Confident | 93 Ų | 93 | 106.5 Ų | 106.5 | 65% | 0.65 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -72.3 | -36.8 | 176.4 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | G48 Y49 | G48-S52 VanDerWaalsContact O-CB 3.27Å; G48-S52 WeakPolarHBondContact O-CB 3.13Å; G48-S52 PolarHBondContact O-N 3.28Å; G48-S52 PolarHBondContact O-OG 3.47Å; Y49-S52 PolarHBondContact O-N 3.5Å |
| 53 | K | 65.7 | Low | 72.6 | Confident | 119 Ų | 119 | 108.1 Ų | 108.1 | 52% | 0.517 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -83.7 | -21 | 177.8 | -159.1 | 174.1 | -173.2 | -180 | 0 | 113.3 | Y49 M50 K55 | Y49-K53 HydrophobicContact CE1-CD 3.78Å; Y49-K53 VanDerWaalsContact O-CB 3.3Å; Y49-K53 WeakPolarHBondContact O-CB 3.2Å; Y49-K53 PolarHBondContact O-N 3.07Å; Y49-K53 PolarHBondContact OH-NZ 2.8Å; M50-K53 PolarHBondContact O-N 3.45Å; K53-K55 VanDerWaalsContact C-N 3.33Å; K53-K55 PolarHBondContact O-N 3.34Å |
| 54 | K | 61.3 | Low | 71.1 | Confident | 108 Ų | 108 | 107.6 Ų | 107.6 | 47% | 0.47 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 42.8 | 178.8 | -170.2 | 174.6 | 153.8 | 153.8 | 0 | 111.5 | M50 K58 | M50-K54 WeakPolarHBondContact O-CA 3.4Å; M50-K54 WeakPolarHBondContact O-CB 3.35Å; M50-K54 PolarHBondContact O-N 3.48Å; K54-K58 HydrophobicContact CD-CG 4.47Å; K54-K58 HydrophobicContact CG-CD 4.41Å; K54-K58 HydrophobicContact CG-CG 3.81Å; K54-K58 PolarHBondContact O-NZ 3.1Å |
| 55 | K | 57.6 | Low | 69.4 | Low | 172 Ų | 172 | 112.8 Ų | 112.8 | 75% | 0.748 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -21.6 | 165.4 | -82.2 | -172.5 | 173.1 | -176.6 | 0 | 112.9 | K53 | K53-K55 VanDerWaalsContact C-N 3.33Å; K53-K55 PolarHBondContact O-N 3.34Å |
| 56 | E | 57.7 | Low | 67.9 | Low | 142 Ų | 142 | 114.4 Ų | 114.4 | 66% | 0.664 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -104.1 | -25.9 | -169.5 | -34.7 | -169.4 | -146.4 | 0 | 0 | 112.5 | S59 N60 | E56-S59 PolarHBondContact O-OG 3.39Å; E56-N60 PolarHBondContact O-ND2 3.4Å |
| 57 | K | 57.6 | Low | 66.5 | Low | 150 Ų | 150 | 114.7 Ų | 114.7 | 65% | 0.652 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -90.1 | -15.9 | -173.2 | -58.9 | -173.1 | -179.9 | -169.9 | 0 | 115 | L61 | K57-L61 VanDerWaalsContact O-CB 3.23Å; K57-L61 WeakPolarHBondContact O-CB 3.4Å; K57-L61 PolarHBondContact O-N 2.83Å |
| 58 | K | 57.8 | Low | 65.1 | Low | 106 Ų | 106 | 113.6 Ų | 113.6 | 46% | 0.461 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -72.4 | -38 | -178.3 | -65 | -171.1 | 179.6 | 85.2 | 0 | 112.6 | K54 L62 | K54-K58 HydrophobicContact CD-CG 4.47Å; K54-K58 HydrophobicContact CG-CD 4.41Å; K54-K58 HydrophobicContact CG-CG 3.81Å; K54-K58 PolarHBondContact O-NZ 3.1Å; K58-L62 PolarHBondContact O-N 3.24Å |
| 59 | S | 56.8 | Low | 63.6 | Low | 67 Ų | 67 | 117.7 Ų | 117.7 | 47% | 0.469 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -72.1 | -39.5 | 173.8 | 45.4 | 0 | 0 | 0 | 0 | 111.3 | E56 L63 | E56-S59 PolarHBondContact O-OG 3.39Å; S59-L63 VanDerWaalsContact O-CB 3.32Å; S59-L63 WeakPolarHBondContact O-CB 3.29Å; S59-L63 WeakPolarHBondContact O-CG 2.91Å; S59-L63 PolarHBondContact O-N 3.35Å |
| 60 | N | 55.8 | Low | 62.1 | Low | 102 Ų | 102 | 118.5 Ų | 118.5 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -70 | -36.3 | 177.8 | -75 | -68.4 | 0 | 0 | 0 | 113.4 | E56 L63 L64 | E56-N60 PolarHBondContact O-ND2 3.4Å; N60-L63 PolarHBondContact O-N 3.25Å; N60-L64 WeakPolarHBondContact O-CB 3.43Å; N60-L64 PolarHBondContact O-N 3.1Å |
| 61 | L | 62.7 | Low | 60.9 | Low | 127 Ų | 127 | 120.3 Ų | 120.3 | 67% | 0.665 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70.5 | -40.1 | 176.3 | -174.3 | 71.4 | 0 | 0 | 0 | 112.3 | K57 L63 L64 Y65 | K57-L61 VanDerWaalsContact O-CB 3.23Å; K57-L61 WeakPolarHBondContact O-CB 3.4Å; K57-L61 PolarHBondContact O-N 2.83Å; L61-L63 VanDerWaalsContact C-N 3.32Å; L61-L64 PolarHBondContact O-N 2.81Å; L61-Y65 WeakPolarHBondContact O-CB 2.96Å; L61-Y65 PolarHBondContact O-N 3.36Å |
| 62 | L | 61.7 | Low | 59.8 | Low | 122 Ų | 122 | 121.9 Ų | 121.9 | 64% | 0.639 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.2 | -33.1 | 172.5 | -93.2 | 169.2 | 0 | 0 | 0 | 111.9 | K58 K66 | K58-L62 PolarHBondContact O-N 3.24Å; L62-K66 WeakPolarHBondContact O-CB 3.39Å; L62-K66 PolarHBondContact O-N 2.97Å |
| 63 | L | 60.4 | Low | 59.3 | Low | 102 Ų | 102 | 119.1 Ų | 119.1 | 53% | 0.534 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.4 | -43.7 | 172.8 | -87.2 | 165.7 | 0 | 0 | 0 | 111.7 | S59 N60 L61 K66 D67 | S59-L63 VanDerWaalsContact O-CB 3.32Å; S59-L63 WeakPolarHBondContact O-CB 3.29Å; S59-L63 WeakPolarHBondContact O-CG 2.91Å; S59-L63 PolarHBondContact O-N 3.35Å; N60-L63 PolarHBondContact O-N 3.25Å; L61-L63 VanDerWaalsContact C-N 3.32Å; L63-K66 PolarHBondContact O-N 2.64Å; L63-D67 PolarHBondContact O-N 3.1Å |
| 64 | L | 62.2 | Low | 58.6 | Low | 104 Ų | 104 | 121.8 Ų | 121.8 | 55% | 0.545 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62 | -44.7 | 176.8 | -156.6 | 119.7 | 0 | 0 | 0 | 111.2 | N60 L61 K66 D67 E68 | N60-L64 WeakPolarHBondContact O-CB 3.43Å; N60-L64 PolarHBondContact O-N 3.1Å; L61-L64 PolarHBondContact O-N 2.81Å; L64-K66 VanDerWaalsContact C-N 3.32Å; L64-K66 PolarHBondContact O-N 3.26Å; L64-D67 PolarHBondContact O-N 3.43Å; L64-E68 WeakPolarHBondContact O-CG 3.3Å; L64-E68 PolarHBondContact O-N 3.49Å |
| 65 | Y | 60.8 | Low | 58.1 | Low | 149 Ų | 149 | 120.3 Ų | 120.3 | 58% | 0.584 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.7 | -36.3 | 174.5 | -175.2 | -102.3 | 0 | 0 | 0 | 113 | L61 E69 | L61-Y65 WeakPolarHBondContact O-CB 2.96Å; L61-Y65 PolarHBondContact O-N 3.36Å; Y65-E69 WeakPolarHBondContact O-CB 3.38Å; Y65-E69 PolarHBondContact O-N 2.8Å |
| 66 | K | 62.7 | Low | 57.8 | Low | 118 Ų | 118 | 116.7 Ų | 116.7 | 51% | 0.513 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -78.3 | -22.6 | 179.6 | -154.9 | 178.6 | 76.4 | 66.3 | 0 | 113.3 | L62 L63 L64 K70 | L62-K66 WeakPolarHBondContact O-CB 3.39Å; L62-K66 PolarHBondContact O-N 2.97Å; L63-K66 PolarHBondContact O-N 2.64Å; L64-K66 VanDerWaalsContact C-N 3.32Å; L64-K66 PolarHBondContact O-N 3.26Å; K66-K70 PolarHBondContact O-N 3.32Å |
| 67 | D | 60.7 | Low | 57.3 | Low | 105 Ų | 105 | 119 Ų | 119 | 56% | 0.561 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -77.8 | -42.9 | 169.5 | -123.5 | 9.7 | 0 | 0 | 0 | 110.2 | L63 L64 E69 K70 E71 | L63-D67 PolarHBondContact O-N 3.1Å; L64-D67 PolarHBondContact O-N 3.43Å; D67-E69 PolarHBondContact O-N 3.33Å; D67-K70 WeakPolarHBondContact O-CA 3.39Å; D67-K70 WeakPolarHBondContact O-CB 3.49Å; D67-K70 PolarHBondContact O-N 2.87Å; D67-K70 VanDerWaalsContact O-N 3.08Å; D67-E71 PolarHBondContact O-N 2.91Å |
| 68 | E | 61.3 | Low | 56.9 | Low | 89 Ų | 89 | 117.5 Ų | 117.5 | 42% | 0.416 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -58.8 | -46.1 | 171.7 | -73.7 | -175.7 | 157.2 | 0 | 0 | 111.2 | L64 K70 E71 W72 | L64-E68 WeakPolarHBondContact O-CG 3.3Å; L64-E68 PolarHBondContact O-N 3.49Å; E68-K70 PolarHBondContact O-N 3.41Å; E68-E71 PolarHBondContact O-N 3.15Å; E68-W72 PolarHBondContact O-N 3.07Å |
| 69 | E | 58.8 | Low | 56.5 | Low | 119 Ų | 119 | 119.8 Ų | 119.8 | 56% | 0.556 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -60.7 | -28.8 | 176.7 | -164.5 | -175.4 | 168.2 | 0 | 0 | 112.6 | Y65 D67 G73 | Y65-E69 WeakPolarHBondContact O-CB 3.38Å; Y65-E69 PolarHBondContact O-N 2.8Å; D67-E69 PolarHBondContact O-N 3.33Å; E69-G73 WeakPolarHBondContact O-CA 3.43Å; E69-G73 PolarHBondContact O-N 3.02Å |
| 70 | K | 57.1 | Low | 56.3 | Low | 139 Ų | 139 | 121.9 Ų | 121.9 | 60% | 0.604 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -72.9 | -42.1 | 172.6 | -99.3 | -171.5 | 170 | -167.7 | 0 | 112.2 | K66 D67 E68 W72 G73 E74 | K66-K70 PolarHBondContact O-N 3.32Å; D67-K70 WeakPolarHBondContact O-CA 3.39Å; D67-K70 WeakPolarHBondContact O-CB 3.49Å; D67-K70 PolarHBondContact O-N 2.87Å; D67-K70 VanDerWaalsContact O-N 3.08Å; E68-K70 PolarHBondContact O-N 3.41Å; K70-W72 VanDerWaalsContact C-N 3.34Å; K70-G73 PolarHBondContact O-N 2.91Å; K70-E74 WeakPolarHBondContact O-CB 3.43Å; K70-E74 PolarHBondContact O-N 3.12Å |
| 71 | E | 55.7 | Low | 55.6 | Low | 139 Ų | 139 | 123.5 Ų | 123.5 | 65% | 0.65 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.2 | -38 | 176.2 | -69.5 | -176 | 160.8 | 0 | 0 | 111.6 | D67 E68 | D67-E71 PolarHBondContact O-N 2.91Å; E68-E71 PolarHBondContact O-N 3.15Å |
| 72 | W | 55.3 | Low | 54.9 | Low | 187 Ų | 187 | 125.1 Ų | 125.1 | 71% | 0.708 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -74.9 | -34.8 | 172.7 | -68.6 | 105.9 | 0 | 0 | 0 | 112.5 | E68 K70 A75 V76 | E68-W72 PolarHBondContact O-N 3.07Å; K70-W72 VanDerWaalsContact C-N 3.34Å; W72-A75 PolarHBondContact O-N 2.86Å; W72-V76 VanDerWaalsContact O-CG2 3.31Å; W72-V76 WeakPolarHBondContact O-CG2 3.33Å; W72-V76 PolarHBondContact O-N 3.11Å; W72-V76 VanDerWaalsContact O-N 3.07Å |
| 73 | G | 55.3 | Low | 53.8 | Low | 35 Ų | 35 | 124.4 Ų | 124.4 | 36% | 0.361 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -72.6 | -23.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E69 K70 V76 | E69-G73 WeakPolarHBondContact O-CA 3.43Å; E69-G73 PolarHBondContact O-N 3.02Å; K70-G73 PolarHBondContact O-N 2.91Å; G73-V76 CarbonylContact O-C 3.59Å |
| 74 | E | 51.4 | Low | 53.3 | Low | 176 Ų | 176 | 122.5 Ų | 122.5 | 82% | 0.822 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -76 | -27.9 | 172.1 | -161.2 | 167.1 | 175.8 | 0 | 0 | 111.5 | K70 | K70-E74 WeakPolarHBondContact O-CB 3.43Å; K70-E74 PolarHBondContact O-N 3.12Å |
| 75 | A | 51.8 | Low | 52.6 | Low | 76 Ų | 76 | 125.7 Ų | 125.7 | 63% | 0.628 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -82.1 | -24.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | W72 | W72-A75 PolarHBondContact O-N 2.86Å |
| 76 | V | 50 | Low | 52 | Low | 96 Ų | 96 | 128.1 Ų | 128.1 | 58% | 0.582 | 68% | 0.683 | S | S | * | * | trans | -119.1 | 75.3 | 176.5 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | W72 G73 P78 | W72-V76 VanDerWaalsContact O-CG2 3.31Å; W72-V76 WeakPolarHBondContact O-CG2 3.33Å; W72-V76 PolarHBondContact O-N 3.11Å; W72-V76 VanDerWaalsContact O-N 3.07Å; G73-V76 CarbonylContact O-C 3.59Å; V76-P78 WeakPolarHBondContact O-CD 3.47Å; V76-P78 WeakPolarHBondContact O-CG 3.39Å | ||
| 77 | K | 47.1 | Very low | 51 | Low | 191 Ų | 191 | 127 Ų | 127 | 83% | 0.83 | 69% | 0.689 | S | S | * | * | trans | -48.6 | 107.8 | 158.8 | 27 | 172.5 | 169.1 | 179 | 0 | 110.2 | ||||
| 78 | P | 49 | Very low | 50.7 | Low | 118 Ų | 118 | 129 Ų | 129 | 77% | 0.766 | 71% | 0.706 | S | S | * | * | trans | -90.2 | 112.2 | 170.4 | 6.8 | 15.7 | 0 | 0 | 0 | 107.1 | V76 | V76-P78 WeakPolarHBondContact O-CD 3.47Å; V76-P78 WeakPolarHBondContact O-CG 3.39Å | ||
| 79 | L | 50.1 | Low | 50.1 | Low | 155 Ų | 155 | 132.3 Ų | 132.3 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | trans | -51.6 | 142.8 | 165.8 | -173.2 | 68.7 | 0 | 0 | 0 | 109.8 | T81 | L79-T81 PolarHBondContact O-N 3.16Š| ||
| 80 | P | 52.7 | Low | 49.9 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 72% | 0.721 | 73% | 0.728 | S | S | * | * | trans | -74.2 | 125.9 | -168.8 | 30.9 | -32 | 0 | 0 | 0 | 109.7 | ||||
| 81 | T | 40.8 | Very low | 50 | Low | 135 Ų | 135 | 131.4 Ų | 131.4 | 83% | 0.828 | 73% | 0.731 | S | S | * | * | trans | -132.4 | 111 | 162.5 | -46.8 | 0 | 0 | 0 | 0 | 109.7 | L79 | L79-T81 PolarHBondContact O-N 3.16Š| ||
| 82 | I | 47.9 | Very low | 50.1 | Low | 161 Ų | 161 | 133.5 Ų | 133.5 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | trans | -53.6 | 156.1 | 167.8 | -73.2 | 157.8 | 0 | 0 | 0 | 111 | ||||
| 83 | S | 38.9 | Very low | 50 | Low | 108 Ų | 108 | 132.4 Ų | 132.4 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | 107.7 | 106.7 | 164.9 | -156 | 0 | 0 | 0 | 0 | 112 | ||||
| 84 | G | 50.8 | Low | 49.9 | Very low | 61 Ų | 61 | 137.4 Ų | 137.4 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | cis | 81.3 | 112.4 | 49.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 85 | L | 45.6 | Very low | 49.8 | Very low | 172 Ų | 172 | 134.9 Ų | 134.9 | 90% | 0.901 | 76% | 0.757 | S | S | * | * | trans | 98.3 | 107.7 | 166.6 | -55.9 | 164.3 | 0 | 0 | 0 | 118.3 | ||||
| 86 | K | 49.2 | Very low | 49.8 | Very low | 200 Ų | 200 | 139.7 Ų | 139.7 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | 52.9 | 98.3 | 130 | -167.2 | -179.3 | -177.4 | 170.8 | 0 | 117.1 | |||||
| 87 | S | 42.2 | Very low | 49.7 | Very low | 93 Ų | 93 | 140.7 Ų | 140.7 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | trans | -143.9 | 117.6 | 144 | 67.8 | 0 | 0 | 0 | 0 | 111.3 | Q89 | S87-Q89 VanDerWaalsContact C-N 3.34Å; S87-Q89 PolarHBondContact O-N 3.46Å; S87-Q89 VanDerWaalsContact O-N 3.1Å | ||
| 88 | V | 52.9 | Low | 49.5 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 90% | 0.903 | 77% | 0.766 | S | S | * | * | trans | -63.3 | 99.4 | 156 | 170.1 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 89 | Q | 49.4 | Very low | 49.3 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | -121.8 | 93.8 | 178.7 | -162.3 | 165.8 | 14 | 0 | 0 | 109.7 | S87 | S87-Q89 VanDerWaalsContact C-N 3.34Å; S87-Q89 PolarHBondContact O-N 3.46Å; S87-Q89 VanDerWaalsContact O-N 3.1Å | ||
| 90 | I | 54 | Low | 49.4 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 70% | 0.697 | 76% | 0.764 | S | S | * | * | trans | 26.2 | 119.1 | 137.2 | -52.2 | 163.3 | 0 | 0 | 0 | 115.1 | M92 | I90-M92 PolarHBondContact O-N 3.4Š| ||
| 91 | P | 58.8 | Low | 49.2 | Very low | 103 Ų | 103 | 141 Ų | 141 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | trans | -62.5 | 124.2 | -178.6 | 22.8 | -30.1 | 0 | 0 | 0 | 112.1 | M93 | P91-M93 PolarHBondContact O-N 3.4Š| ||
| 92 | M | 59.3 | Low | 49.5 | Very low | 183 Ų | 183 | 140.4 Ų | 140.4 | 90% | 0.901 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 28.9 | -179.3 | -141.7 | 175.2 | -166.6 | 0 | 0 | 113.9 | I90 | I90-M92 PolarHBondContact O-N 3.4Š|
| 93 | M | 53 | Low | 49.2 | Very low | 163 Ų | 163 | 137.8 Ų | 137.8 | 80% | 0.803 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | -12.1 | -174.8 | -69 | -87.9 | -150.3 | 0 | 0 | 113.5 | P91 N95 | P91-M93 PolarHBondContact O-N 3.4Å; M93-N95 VanDerWaalsContact C-N 3.35Å |
| 94 | L | 53.4 | Low | 49.2 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -79.8 | -10.5 | -178.6 | -87.7 | 164.9 | 0 | 0 | 0 | 114.4 | ||
| 95 | N | 49.3 | Very low | 49.3 | Very low | 123 Ų | 123 | 142.8 Ų | 142.8 | 66% | 0.658 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -87.5 | -20.8 | -177.9 | -82 | -51.5 | 0 | 0 | 0 | 114.9 | M93 | M93-N95 VanDerWaalsContact C-N 3.35Š|
| 96 | M | 50.5 | Low | 49.3 | Very low | 176 Ų | 176 | 139.9 Ų | 139.9 | 87% | 0.867 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -85.3 | -18.5 | -178.7 | -90.3 | -107.4 | 155.9 | 0 | 0 | 114.2 | ||
| 97 | L | 49.5 | Very low | 49.2 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 61% | 0.613 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -94.9 | -17.1 | -177.2 | -135.7 | 154.8 | 0 | 0 | 0 | 112.5 | E99 M101 | L97-E99 VanDerWaalsContact C-N 3.26Å; L97-E99 PolarHBondContact O-N 3.13Å; L97-M101 HydrophobicContact CD2-CE 3.81Å |
| 98 | Q | 42.7 | Very low | 49.6 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | 1.2 | 179 | -151.5 | -169.3 | -57.6 | 0 | 0 | 113.6 | ||
| 99 | E | 44.9 | Very low | 49.4 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -0.7 | 173.8 | -110.7 | 161 | 136.1 | 0 | 0 | 113.5 | L97 | L97-E99 VanDerWaalsContact C-N 3.26Å; L97-E99 PolarHBondContact O-N 3.13Å |
| 100 | S | 50.9 | Low | 49.1 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -115.9 | 13.1 | -177.9 | -171.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 101 | M | 50.1 | Low | 48.8 | Very low | 146 Ų | 146 | 133.4 Ų | 133.4 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -135.9 | 52.2 | 177.6 | -64.7 | -168.2 | -154.6 | 0 | 0 | 113.4 | L97 | L97-M101 HydrophobicContact CD2-CE 3.81Š|
| 102 | V | 45.3 | Very low | 48 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 75% | 0.745 | 77% | 0.774 | S | S | * | * | trans | -137.8 | 110.8 | 155.9 | -177.9 | 0 | 0 | 0 | 0 | 108.2 | S104 | V102-S104 PolarHBondContact O-N 3.39Š| ||
| 103 | P | 42.1 | Very low | 47.4 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | trans | -70.1 | 107.9 | 167.7 | -13.4 | 28.5 | 0 | 0 | 0 | 109.1 | L105 | P103-L105 HydrophobicContact CB-CD2 4.03Å; P103-L105 HydrophobicContact CB-CG 4.18Å; P103-L105 PolarHBondContact O-N 3.04Å | ||
| 104 | S | 38.7 | Very low | 47.1 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -76.3 | 77 | 167.4 | 48.4 | 0 | 0 | 0 | 0 | 109.8 | V102 S106 | V102-S104 PolarHBondContact O-N 3.39Å; S104-S106 PolarHBondContact O-N 3.46Å | ||
| 105 | L | 53 | Low | 46.4 | Very low | 163 Ų | 163 | 131 Ų | 131 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | -74.3 | 79.1 | 167.3 | -43.6 | 174.7 | 0 | 0 | 0 | 108.3 | P103 | P103-L105 HydrophobicContact CB-CD2 4.03Å; P103-L105 HydrophobicContact CB-CG 4.18Å; P103-L105 PolarHBondContact O-N 3.04Å | ||
| 106 | S | 46.2 | Very low | 46.1 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -154.4 | 95.6 | 168.4 | -166.2 | 0 | 0 | 0 | 0 | 110.9 | S104 | S104-S106 PolarHBondContact O-N 3.46Š| ||
| 107 | C | 46.1 | Very low | 45.8 | Very low | 133 Ų | 133 | 128.1 Ų | 128.1 | 90% | 0.899 | 77% | 0.768 | S | S | * | * | trans | -143.2 | 108 | 137.4 | -163.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 108 | A | 51.4 | Low | 45.4 | Very low | 77 Ų | 77 | 127.6 Ų | 127.6 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | -80.9 | 133.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 109 | I | 49 | Very low | 45.6 | Very low | 157 Ų | 157 | 125.6 Ų | 125.6 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | trans | 59.3 | 113.9 | 139.7 | -70 | 166.5 | 0 | 0 | 0 | 117.6 | ||||
| 110 | C | 43.7 | Very low | 45.6 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | -167.5 | 138.1 | 106.5 | -121.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 111 | S | 46.3 | Very low | 45.6 | Very low | 104 Ų | 104 | 128.2 Ų | 128.2 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -75.7 | 142.6 | 178.8 | -165.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 112 | M | 43.7 | Very low | 45.5 | Very low | 183 Ų | 183 | 126.6 Ų | 126.6 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | trans | -142.5 | 100.1 | 148.9 | -170.4 | 97.5 | 86.6 | 0 | 0 | 108 | ||||
| 113 | E | 46.6 | Very low | 45.6 | Very low | 181 Ų | 181 | 125.2 Ų | 125.2 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -54.6 | 129 | 160.7 | 39.1 | 174.3 | 118.6 | 0 | 0 | 110.6 | ||||
| 114 | G | 45 | Very low | 45.7 | Very low | 69 Ų | 69 | 126.5 Ų | 126.5 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -177.3 | 78.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 115 | S | 40 | Very low | 45.6 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -3.3 | 132.8 | 158.5 | 65.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 116 | S | 42.4 | Very low | 45.1 | Very low | 106 Ų | 106 | 125.5 Ų | 125.5 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | 87.4 | 119.5 | 132.7 | -54.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 117 | V | 44 | Very low | 44.8 | Very low | 132 Ų | 132 | 127.3 Ų | 127.3 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | 59 | 137.1 | 139.7 | -55.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 118 | S | 41.2 | Very low | 44.3 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | 83.8 | 101.7 | 157.2 | -52.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 119 | S | 46.6 | Very low | 44.1 | Very low | 115 Ų | 115 | 131 Ų | 131 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | 60.1 | 105.2 | 88.9 | -64 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 120 | E | 46.4 | Very low | 44.1 | Very low | 201 Ų | 201 | 130.4 Ų | 130.4 | 94% | 0.939 | 78% | 0.779 | S | S | * | * | trans | -165 | 91.2 | 146.5 | -103.4 | 170.1 | 136 | 0 | 0 | 108 | ||||
| 121 | S | 49.8 | Very low | 44.1 | Very low | 131 Ų | 131 | 132 Ų | 132 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | trans | -89.6 | 120.1 | 168.4 | 171.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 122 | S | 47.1 | Very low | 44.1 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -150.3 | 107.5 | 175.3 | 173.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 123 | S | 47.5 | Very low | 44.2 | Very low | 94 Ų | 94 | 134.9 Ų | 134.9 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | trans | 61 | 135.3 | 145.9 | -150.4 | 0 | 0 | 0 | 0 | 119.8 | D125 | S123-D125 PolarHBondContact OG-N 3.39Š| ||
| 124 | P | 45.1 | Very low | 43.8 | Very low | 134 Ų | 134 | 132 Ų | 132 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | -127.3 | 147 | 86.1 | 34.1 | -23.8 | 0 | 0 | 0 | 114.8 | |||||
| 125 | D | 36.8 | Very low | 43.6 | Very low | 140 Ų | 140 | 135.6 Ų | 135.6 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | -81.1 | 163.9 | -176.1 | -170.8 | 30.9 | 0 | 0 | 0 | 113.3 | S123 | S123-D125 PolarHBondContact OG-N 3.39Š| ||
| 126 | V | 42.8 | Very low | 43.5 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | trans | 84.6 | 85.2 | 159.2 | -158.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 127 | H | 39.3 | Very low | 43.4 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | 76.3 | 99.2 | 115.2 | -140.4 | -94.8 | 0 | 0 | 0 | 120.4 | T129 | H127-T129 PolarHBondContact CE1-OG1 3.26Š| |||
| 128 | F | 36 | Very low | 43 | Very low | 190 Ų | 190 | 139 Ų | 139 | 83% | 0.833 | 77% | 0.773 | S | S | * | * | trans | -131.9 | 94.5 | 142.1 | -151.5 | -93.2 | 0 | 0 | 0 | 108.9 | I130 | F128-I130 HydrophobicContact CE1-CD1 3.86Å; F128-I130 HydrophobicContact CZ-CD1 4.25Å | ||
| 129 | T | 46.6 | Very low | 42.8 | Very low | 97 Ų | 97 | 141.4 Ų | 141.4 | 60% | 0.595 | 78% | 0.777 | S | S | * | * | trans | -82.3 | 116.1 | 165.7 | 45 | 0 | 0 | 0 | 0 | 108.4 | H127 | H127-T129 PolarHBondContact CE1-OG1 3.26Š| ||
| 130 | I | 50.4 | Low | 42 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | trans | -151.6 | 123.9 | 141 | -86.9 | 129.5 | 0 | 0 | 0 | 105.9 | F128 | F128-I130 HydrophobicContact CE1-CD1 3.86Å; F128-I130 HydrophobicContact CZ-CD1 4.25Å | ||
| 131 | Q | 42.7 | Very low | 41.2 | Very low | 162 Ų | 162 | 139 Ų | 139 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | trans | -58.3 | 136.5 | -170.2 | -69 | 172.2 | 47.4 | 0 | 0 | 113.3 | ||||
| 132 | E | 46.4 | Very low | 40.3 | Very low | 186 Ų | 186 | 139.4 Ų | 139.4 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | trans | -87.6 | 106.8 | 147.4 | -179.3 | 179.3 | 112.9 | 0 | 0 | 106.1 | ||||
| 133 | E | 44.8 | Very low | 39.6 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | trans | -100.4 | 119.8 | 170.4 | 70.4 | -162.9 | 135.8 | 0 | 0 | 109.9 | ||||
| 134 | V | 39.9 | Very low | 38.9 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -71.9 | 132.6 | 173.5 | 160.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 135 | L | 40.9 | Very low | 38.2 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | 38.6 | 127.8 | 139.6 | -147.2 | 160.1 | 0 | 0 | 0 | 118.7 | ||||
| 136 | D | 37.7 | Very low | 38 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | trans | 112 | 138.9 | 148.9 | -125.6 | -35.8 | 0 | 0 | 0 | 118.2 | ||||
| 137 | A | 38.6 | Very low | 37.9 | Very low | 89 Ų | 89 | 144.6 Ų | 144.6 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | 71.5 | 87.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | L139 | A137-L139 PolarHBondContact O-N 3.22Š| ||
| 138 | E | 37.3 | Very low | 37.6 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | -64.2 | 120.6 | 155.3 | -177 | -175.3 | 152.7 | 0 | 0 | 110.6 | ||||
| 139 | L | 35.5 | Very low | 37.6 | Very low | 158 Ų | 158 | 142.7 Ų | 142.7 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | 37 | 105.7 | 130.5 | -143.1 | 68.3 | 0 | 0 | 0 | 115.7 | A137 | A137-L139 PolarHBondContact O-N 3.22Š| ||
| 140 | G | 30.5 | Very low | 37.1 | Very low | 74 Ų | 74 | 142.6 Ų | 142.6 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | 112.6 | 83.6 | 63.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 141 | E | 28.7 | Very low | 36.9 | Very low | 192 Ų | 192 | 141 Ų | 141 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | trans | -128.2 | 89 | 157.4 | -163.9 | 174.5 | 145 | 0 | 0 | 107.8 | ||||
| 142 | V | 32.4 | Very low | 36.9 | Very low | 138 Ų | 138 | 142.3 Ų | 142.3 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | -79.3 | 118.7 | 162.5 | 169.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 143 | S | 31.7 | Very low | 36.6 | Very low | 82 Ų | 82 | 137.2 Ų | 137.2 | 57% | 0.573 | 78% | 0.781 | S | S | * | * | 160.3 | 117.7 | 126.1 | 54.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 144 | E | 34 | Very low | 36.3 | Very low | 166 Ų | 166 | 135.1 Ų | 135.1 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | 59.1 | 105.6 | 142.1 | 16.5 | -175 | 155 | 0 | 0 | 118.3 | ||||
| 145 | T | 29.1 | Very low | 36.5 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | 162.6 | 135 | 101.3 | 45.6 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 146 | L | 32.1 | Very low | 36.6 | Very low | 162 Ų | 162 | 136.1 Ų | 136.1 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | trans | 55.4 | 104.1 | 149.5 | -98.3 | 165.2 | 0 | 0 | 0 | 120.4 | N148 | L146-N148 PolarHBondContact O-N 3.08Š| ||
| 147 | L | 41.1 | Very low | 36.9 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -34.1 | 118.5 | 137.8 | -61.1 | 165.4 | 0 | 0 | 0 | 112.5 | ||||
| 148 | N | 33.2 | Very low | 37.7 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | trans | -168.4 | 112.6 | 140 | -146.7 | 40 | 0 | 0 | 0 | 110 | L146 | L146-N148 PolarHBondContact O-N 3.08Š| ||
| 149 | E | 35.8 | Very low | 38.4 | Very low | 159 Ų | 159 | 138 Ų | 138 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | 64.2 | 100.4 | 116.5 | -121.5 | -150 | 118.9 | 0 | 0 | 114.1 | |||||
| 150 | S | 37 | Very low | 39.2 | Very low | 96 Ų | 96 | 139.6 Ų | 139.6 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | 76.3 | 117.4 | 95.3 | -164.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 151 | S | 45.5 | Very low | 39.9 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | 52.4 | 96 | 136.7 | -177.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 152 | E | 42.8 | Very low | 40.7 | Very low | 190 Ų | 190 | 143.6 Ų | 143.6 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | -152.3 | 110 | 140.2 | 46 | -174.1 | 143.9 | 0 | 0 | 111.3 | ||||
| 153 | G | 39.2 | Very low | 41.1 | Very low | 78 Ų | 78 | 143.9 Ų | 143.9 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -83.3 | 133.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 154 | S | 39.3 | Very low | 41.6 | Very low | 118 Ų | 118 | 147.2 Ų | 147.2 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | trans | -167.7 | 119.2 | 157.1 | -165.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 155 | A | 44 | Very low | 42 | Very low | 93 Ų | 93 | 146.1 Ų | 146.1 | 77% | 0.769 | 83% | 0.829 | S | S | * | * | trans | 63.9 | 82.5 | 146.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 156 | E | 43.4 | Very low | 42.8 | Very low | 193 Ų | 193 | 147.1 Ų | 147.1 | 90% | 0.902 | 83% | 0.831 | S | S | * | * | trans | -84 | 129 | 147.5 | 63.8 | -172.9 | 153.6 | 0 | 0 | 111.3 | I158 | E156-I158 PolarHBondContact O-N 3Š| ||
| 157 | N | 43.7 | Very low | 43.5 | Very low | 132 Ų | 132 | 146.1 Ų | 146.1 | 71% | 0.706 | 83% | 0.83 | S | S | * | * | trans | -60.9 | 115.8 | -174.2 | 169.9 | -45 | 0 | 0 | 0 | 112.5 | H159 | N157-H159 PolarHBondContact O-N 3.17Å; N157-H159 PolarHBondContact OD1-N 2.96Å | ||
| 158 | I | 55.4 | Low | 43.6 | Very low | 163 Ų | 163 | 145 Ų | 145 | 84% | 0.836 | 83% | 0.829 | S | S | * | * | trans | -78.1 | 107.6 | 160.4 | -63.9 | 178.3 | 0 | 0 | 0 | 107.8 | E156 | E156-I158 PolarHBondContact O-N 3Š| ||
| 159 | H | 53 | Low | 44.4 | Very low | 162 Ų | 162 | 145.5 Ų | 145.5 | 75% | 0.75 | 84% | 0.835 | S | S | * | * | trans | -72.5 | 127 | 169 | -144.6 | 98.9 | 0 | 0 | 0 | 109.5 | N157 | N157-H159 PolarHBondContact O-N 3.17Å; N157-H159 PolarHBondContact OD1-N 2.96Å | ||
| 160 | K | 50.6 | Low | 45 | Very low | 191 Ų | 191 | 144.5 Ų | 144.5 | 83% | 0.83 | 84% | 0.842 | S | S | * | * | trans | -64.7 | 136.9 | 174.8 | -66.4 | 169.9 | 171.1 | 178.4 | 0 | 111.4 | ||||
| 161 | N | 45.3 | Very low | 45.7 | Very low | 159 Ų | 159 | 148.5 Ų | 148.5 | 85% | 0.85 | 86% | 0.857 | S | S | * | * | -162.3 | 140.3 | 125.5 | -145.2 | -13.5 | 0 | 0 | 0 | 112.2 | |||||
| 162 | S | 46.3 | Very low | 45.7 | Very low | 192 Ų | 192 | 151.9 Ų | 151.9 | 100% | 1.343 | 86% | 0.864 | S | S | * | * | trans | 85.3 | 0 | -176.2 | -65.8 | 0 | 0 | 0 | 0 | 117.5 |
Retrieved 162 of 162 residues in 744.8 ms
(Link to these results)