| 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 | 44.2 | Very low | 43.7 | Very low | 229 Ų | 229 | 148.3 Ų | 148.3 | 100% | 1.128 | 72% | 0.721 | S | S | * | * | 0 | -39.2 | 0 | -123.1 | 118.6 | 148.7 | 0 | 0 | 113.9 | R3 | M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.02Å | |||
| 2 | G | 41.9 | Very low | 43.3 | Very low | 61 Ų | 61 | 150.8 Ų | 150.8 | 63% | 0.629 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 6.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 3 | R | 37.3 | Very low | 43.1 | Very low | 221 Ų | 221 | 151.9 Ų | 151.9 | 83% | 0.834 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -19.8 | 176.7 | -151.4 | 173.9 | -161.4 | 162.7 | 4.6 | 113.1 | M1 | M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.02Å |
| 4 | M | 39.1 | Very low | 42.9 | Very low | 157 Ų | 157 | 151.5 Ų | 151.5 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -80 | -26.6 | 180 | -71.5 | -71.9 | -165.6 | 0 | 0 | 112.9 | R6 L7 | M4-R6 PolarHBondContact O-N 3.09Å; M4-L7 PolarHBondContact O-N 3.44Å |
| 5 | E | 48.8 | Very low | 42.5 | Very low | 163 Ų | 163 | 147.6 Ų | 147.6 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -73.9 | -21.8 | 179.7 | -77.5 | -174 | 146.4 | 0 | 0 | 114.2 | ||
| 6 | R | 46.7 | Very low | 41.9 | Very low | 199 Ų | 199 | 152.3 Ų | 152.3 | 75% | 0.751 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -77 | -22.7 | 175.4 | -93.1 | -167.8 | -76.8 | -159.7 | -3.6 | 113.8 | M4 | M4-R6 PolarHBondContact O-N 3.09Å |
| 7 | L | 43.9 | Very low | 41.5 | Very low | 119 Ų | 119 | 150.8 Ų | 150.8 | 62% | 0.623 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -83.6 | -27.6 | 175.5 | -69.7 | 169.6 | 0 | 0 | 0 | 112.3 | M4 R9 T10 | M4-L7 PolarHBondContact O-N 3.44Å; L7-R9 VanDerWaalsContact C-N 3.31Å; L7-R9 PolarHBondContact O-N 3.39Å; L7-T10 PolarHBondContact O-OG1 3.04Å; L7-T10 VanDerWaalsContact O-OG1 3.1Å |
| 8 | G | 42.4 | Very low | 41 | Very low | 45 Ų | 45 | 155.6 Ų | 155.6 | 46% | 0.464 | 75% | 0.75 | S | S | . | * | H | α-helix | trans | -72.2 | -18.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 9 | R | 45.7 | Very low | 41.3 | Very low | 207 Ų | 207 | 152.6 Ų | 152.6 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -88.1 | -28.1 | 177.4 | -159.4 | 174.8 | -71.8 | -178.8 | -1.7 | 112.8 | L7 | L7-R9 VanDerWaalsContact C-N 3.31Å; L7-R9 PolarHBondContact O-N 3.39Å |
| 10 | T | 44.9 | Very low | 40.6 | Very low | 79 Ų | 79 | 156.8 Ų | 156.8 | 49% | 0.485 | 75% | 0.752 | S | S | . | * | H | α-helix | trans | -77.9 | -27.9 | 178.5 | 49.4 | 0 | 0 | 0 | 0 | 113.2 | L7 | L7-T10 PolarHBondContact O-OG1 3.04Å; L7-T10 VanDerWaalsContact O-OG1 3.1Å |
| 11 | E | 45.3 | Very low | 40.2 | Very low | 151 Ų | 151 | 158.6 Ų | 158.6 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -78 | -28.6 | -178 | -151.6 | 173.6 | -171.7 | 0 | 0 | 112.8 | E13 | E11-E13 VanDerWaalsContact C-N 3.3Å; E11-E13 PolarHBondContact O-N 3.34Å |
| 12 | K | 39.5 | Very low | 39.8 | Very low | 178 Ų | 178 | 155.9 Ų | 155.9 | 77% | 0.774 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -72.7 | -19.9 | 176.6 | -91.9 | -174.2 | 176.8 | 179.8 | 0 | 114.1 | S15 | K12-S15 PolarHBondContact O-OG 2.86Å |
| 13 | E | 40.2 | Very low | 39.6 | Very low | 166 Ų | 166 | 158.3 Ų | 158.3 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -92.8 | -17 | 179.1 | -139.7 | 158.9 | -158.6 | 0 | 0 | 113.1 | E11 S15 | E11-E13 VanDerWaalsContact C-N 3.3Å; E11-E13 PolarHBondContact O-N 3.34Å; E13-S15 VanDerWaalsContact C-N 3.34Å |
| 14 | I | 41.2 | Very low | 40.1 | Very low | 146 Ų | 146 | 152.4 Ų | 152.4 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -8.8 | 176.1 | -65.3 | 171.9 | 0 | 0 | 0 | 112.4 | ||
| 15 | S | 36.7 | Very low | 40.2 | Very low | 93 Ų | 93 | 155.5 Ų | 155.5 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 6.9 | -175.2 | 68.2 | 0 | 0 | 0 | 0 | 116.4 | K12 E13 | K12-S15 PolarHBondContact O-OG 2.86Å; E13-S15 VanDerWaalsContact C-N 3.34Å |
| 16 | R | 33.2 | Very low | 39.9 | Very low | 223 Ų | 223 | 152.4 Ų | 152.4 | 84% | 0.842 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -116.9 | 115.7 | 171.1 | -83.7 | -177.2 | 173.8 | 178.1 | -2.3 | 111.6 | ||
| 17 | S | 33.7 | Very low | 39.5 | Very low | 126 Ų | 126 | 151.1 Ų | 151.1 | 88% | 0.881 | 73% | 0.729 | S | S | * | * | trans | 88.2 | 66.7 | 169.8 | 68.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 18 | R | 33 | Very low | 39.5 | Very low | 237 Ų | 237 | 153.1 Ų | 153.1 | 89% | 0.894 | 74% | 0.735 | S | S | * | * | trans | -88.8 | 163.1 | 136 | -64.8 | -162.9 | -161.6 | -127.2 | 8.3 | 108.5 | ||||
| 19 | P | 46.4 | Very low | 39.7 | Very low | 99 Ų | 99 | 155.5 Ų | 155.5 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | cis | -134.6 | 134.9 | -12.9 | 29.8 | -9 | 0 | 0 | 0 | 113.5 | K21 | P19-K21 PolarHBondContact O-N 3.37Å; P19-K21 VanDerWaalsContact O-N 3.13Å | ||
| 20 | W | 28.5 | Very low | 39.8 | Very low | 236 Ų | 236 | 150.2 Ų | 150.2 | 89% | 0.894 | 73% | 0.731 | S | S | * | * | trans | -74.1 | 97.9 | 156.8 | -80 | 65.1 | 0 | 0 | 0 | 109 | K22 | W20-K22 VanDerWaalsContact C-N 3.31Å; W20-K22 PolarHBondContact O-N 2.92Å; W20-K22 VanDerWaalsContact O-N 3.11Å | ||
| 21 | K | 32.2 | Very low | 39.8 | Very low | 196 Ų | 196 | 154.6 Ų | 154.6 | 85% | 0.852 | 74% | 0.744 | S | S | * | * | trans | -77.8 | 81.8 | 165.3 | -87.9 | -170.5 | 175.3 | -177.3 | 0 | 108.8 | P19 T23 | P19-K21 PolarHBondContact O-N 3.37Å; P19-K21 VanDerWaalsContact O-N 3.13Å; K21-T23 PolarHBondContact O-N 3.44Å | ||
| 22 | K | 35.7 | Very low | 40 | Very low | 171 Ų | 171 | 152.3 Ų | 152.3 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | trans | -90.3 | 99.8 | 171.8 | -140.9 | 172.4 | -173.8 | 177.8 | 0 | 109.4 | W20 | W20-K22 VanDerWaalsContact C-N 3.31Å; W20-K22 PolarHBondContact O-N 2.92Å; W20-K22 VanDerWaalsContact O-N 3.11Å | ||
| 23 | T | 38.1 | Very low | 40.1 | Very low | 112 Ų | 112 | 147.8 Ų | 147.8 | 69% | 0.687 | 72% | 0.723 | S | S | * | * | trans | 32.6 | 134.9 | 143.4 | -65.3 | 0 | 0 | 0 | 0 | 121.2 | K21 R25 | K21-T23 PolarHBondContact O-N 3.44Å; T23-R25 VanDerWaalsContact C-N 3.27Å; T23-R25 PolarHBondContact O-N 3.35Å | ||
| 24 | S | 46.4 | Very low | 40.4 | Very low | 98 Ų | 98 | 150.7 Ų | 150.7 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -53.8 | 11.8 | -172.1 | 55 | 0 | 0 | 0 | 0 | 120.4 | T26 | S24-T26 PolarHBondContact O-N 3.12Š|
| 25 | R | 42.7 | Very low | 41 | Very low | 222 Ų | 222 | 149.5 Ų | 149.5 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -5.7 | 176.8 | -88.4 | -171.2 | -175.1 | 178.1 | 2.7 | 114.4 | T23 | T23-R25 VanDerWaalsContact C-N 3.27Å; T23-R25 PolarHBondContact O-N 3.35Å |
| 26 | T | 40.9 | Very low | 41.5 | Very low | 97 Ų | 97 | 150.8 Ų | 150.8 | 60% | 0.595 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -77.9 | -17.9 | 178.2 | 50.2 | 0 | 0 | 0 | 0 | 114.4 | S24 V30 | S24-T26 PolarHBondContact O-N 3.12Å; T26-V30 WeakPolarHBondContact O-CG2 3.45Å; T26-V30 PolarHBondContact O-N 3.47Å |
| 27 | K | 38.1 | Very low | 42.4 | Very low | 172 Ų | 172 | 145.3 Ų | 145.3 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -75.1 | -31.8 | -177.3 | -73.6 | -168.7 | 176.7 | -176.1 | 0 | 113.8 | F31 | K27-F31 PolarHBondContact O-N 2.88Å |
| 28 | E | 44.9 | Very low | 43.5 | Very low | 162 Ų | 162 | 146.9 Ų | 146.9 | 76% | 0.757 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -79 | -37.7 | 179.8 | -67.1 | -160.6 | 157.5 | 0 | 0 | 112.7 | V30 F31 V32 | E28-V30 VanDerWaalsContact C-N 3.31Å; E28-V30 PolarHBondContact O-N 2.91Å; E28-F31 PolarHBondContact O-N 3.43Å; E28-F31 VanDerWaalsContact O-N 3.16Å; E28-V32 PolarHBondContact O-N 2.97Å |
| 29 | V | 47.5 | Very low | 44.4 | Very low | 95 Ų | 95 | 144.6 Ų | 144.6 | 58% | 0.576 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -66.6 | -35.1 | 177.9 | -173.5 | 0 | 0 | 0 | 0 | 111.4 | F31 L33 | V29-F31 VanDerWaalsContact C-N 3.29Å; V29-F31 PolarHBondContact O-N 3.18Å; V29-L33 HydrophobicContact CG1-CD1 4.36Å; V29-L33 WeakPolarHBondContact O-CD1 3.23Å; V29-L33 WeakPolarHBondContact O-CG 3.32Å; V29-L33 PolarHBondContact O-N 3.16Å |
| 30 | V | 46.4 | Very low | 44.7 | Very low | 95 Ų | 95 | 142.2 Ų | 142.2 | 58% | 0.576 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -69.6 | -27.1 | 176.7 | 174.4 | 0 | 0 | 0 | 0 | 112.1 | T26 E28 | T26-V30 WeakPolarHBondContact O-CG2 3.45Å; T26-V30 PolarHBondContact O-N 3.47Å; E28-V30 VanDerWaalsContact C-N 3.31Å; E28-V30 PolarHBondContact O-N 2.91Å |
| 31 | F | 45.6 | Very low | 46.2 | Very low | 172 Ų | 172 | 136 Ų | 136 | 75% | 0.754 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -74.8 | -39 | 179.4 | -167.9 | -101.7 | 0 | 0 | 0 | 112.5 | K27 E28 V29 L33 R34 | K27-F31 PolarHBondContact O-N 2.88Å; E28-F31 PolarHBondContact O-N 3.43Å; E28-F31 VanDerWaalsContact O-N 3.16Å; V29-F31 VanDerWaalsContact C-N 3.29Å; V29-F31 PolarHBondContact O-N 3.18Å; F31-L33 PolarHBondContact O-N 3.21Å; F31-R34 PolarHBondContact O-N 3.3Å |
| 32 | V | 49.4 | Very low | 47.1 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 62% | 0.618 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -67.2 | -25.8 | 177.6 | 178.6 | 0 | 0 | 0 | 0 | 112.1 | E28 R34 | E28-V32 PolarHBondContact O-N 2.97Å; V32-R34 VanDerWaalsContact C-N 3.33Å; V32-R34 PolarHBondContact O-N 3.32Å |
| 33 | L | 41.4 | Very low | 48.4 | Very low | 83 Ų | 83 | 128.6 Ų | 128.6 | 44% | 0.435 | 67% | 0.669 | S | S | . | * | G | 310 helix | trans | -76.2 | -11.8 | -177.2 | -78.4 | 169.2 | 0 | 0 | 0 | 115.2 | V29 F31 F41 | V29-L33 HydrophobicContact CG1-CD1 4.36Å; V29-L33 WeakPolarHBondContact O-CD1 3.23Å; V29-L33 WeakPolarHBondContact O-CG 3.32Å; V29-L33 PolarHBondContact O-N 3.16Å; F31-L33 PolarHBondContact O-N 3.21Å; L33-F41 HydrophobicContact CD2-CD2 4.2Å; L33-F41 HydrophobicContact CD2-CE2 3.24Å; L33-F41 HydrophobicContact CD2-CZ 3.68Å |
| 34 | R | 46 | Very low | 49.6 | Very low | 227 Ų | 227 | 128 Ų | 128 | 86% | 0.857 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -86.2 | -4.5 | -172.6 | -116.4 | -177.6 | -171.5 | -166.8 | 2.2 | 115.7 | F31 V32 | F31-R34 PolarHBondContact O-N 3.3Å; V32-R34 VanDerWaalsContact C-N 3.33Å; V32-R34 PolarHBondContact O-N 3.32Å |
| 35 | T | 53.3 | Low | 50.5 | Low | 121 Ų | 121 | 126.1 Ų | 126.1 | 74% | 0.742 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -113.1 | 10.3 | -172.4 | 49.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 36 | L | 47.8 | Very low | 52 | Low | 120 Ų | 120 | 122 Ų | 122 | 63% | 0.628 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -113.3 | 135.8 | -176.2 | -78.1 | 156.9 | 0 | 0 | 0 | 113.3 | ||
| 37 | P | 51.5 | Low | 53.4 | Low | 109 Ų | 109 | 122.7 Ų | 122.7 | 71% | 0.708 | 64% | 0.635 | S | S | * | * | trans | -70.9 | 136.3 | -169.1 | 27.5 | -33.2 | 0 | 0 | 0 | 113.1 | K39 | P37-K39 VanDerWaalsContact C-N 3.33Å; P37-K39 PolarHBondContact O-N 3.36Å | ||
| 38 | L | 57.4 | Low | 55 | Low | 158 Ų | 158 | 119.5 Ų | 119.5 | 83% | 0.827 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.3 | -9.8 | -153.6 | -68.2 | 161.6 | 0 | 0 | 0 | 118.4 | ||
| 39 | K | 51.6 | Low | 56.5 | Low | 190 Ų | 190 | 114.2 Ų | 114.2 | 83% | 0.826 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -89.8 | -32.8 | -176 | -81.6 | -177 | 175.9 | -178.1 | 0 | 114.3 | P37 F41 | P37-K39 VanDerWaalsContact C-N 3.33Å; P37-K39 PolarHBondContact O-N 3.36Å; K39-F41 VanDerWaalsContact C-N 3.35Å |
| 40 | G | 52.9 | Low | 58 | Low | 48 Ų | 48 | 116.6 Ų | 116.6 | 50% | 0.495 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -72.4 | -31.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | C42 L43 L44 | G40-C42 VanDerWaalsContact C-N 3.34Å; G40-C42 PolarHBondContact O-N 2.84Å; G40-L43 PolarHBondContact O-N 3.09Å; G40-L44 PolarHBondContact O-N 3.46Å; G40-L44 VanDerWaalsContact O-N 3.09Å |
| 41 | F | 59.6 | Low | 59.4 | Low | 105 Ų | 105 | 118.9 Ų | 118.9 | 46% | 0.461 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.8 | -32.3 | -175.5 | -166.3 | -107.3 | 0 | 0 | 0 | 113.5 | L33 K39 S45 | L33-F41 HydrophobicContact CD2-CD2 4.2Å; L33-F41 HydrophobicContact CD2-CE2 3.24Å; L33-F41 HydrophobicContact CD2-CZ 3.68Å; K39-F41 VanDerWaalsContact C-N 3.35Å; F41-S45 WeakPolarHBondContact O-CB 3.49Å; F41-S45 PolarHBondContact O-N 2.85Å |
| 42 | C | 53 | Low | 60.9 | Low | 87 Ų | 87 | 114.1 Ų | 114.1 | 59% | 0.588 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.7 | -41.3 | 180 | -147.2 | 0 | 0 | 0 | 0 | 112 | G40 S45 E46 | G40-C42 VanDerWaalsContact C-N 3.34Å; G40-C42 PolarHBondContact O-N 2.84Å; C42-S45 PolarHBondContact O-N 3.43Å; C42-E46 PolarHBondContact O-N 3.5Å |
| 43 | L | 61.5 | Low | 62.4 | Low | 125 Ų | 125 | 115.4 Ų | 115.4 | 65% | 0.654 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69 | -40.9 | 176.2 | -68.3 | 174.7 | 0 | 0 | 0 | 111.6 | G40 S45 E46 E47 | G40-L43 PolarHBondContact O-N 3.09Å; L43-S45 VanDerWaalsContact C-N 3.28Å; L43-S45 PolarHBondContact O-N 2.93Å; L43-E46 PolarHBondContact O-N 3.05Å; L43-E47 PolarHBondContact O-N 3.36Å; L43-E47 VanDerWaalsContact O-N 3.16Å |
| 44 | L | 63.5 | Low | 64.3 | Low | 100 Ų | 100 | 113.8 Ų | 113.8 | 52% | 0.524 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.2 | -34.3 | 174.9 | -136.1 | 92 | 0 | 0 | 0 | 111.6 | G40 I48 | G40-L44 PolarHBondContact O-N 3.46Å; G40-L44 VanDerWaalsContact O-N 3.09Å; L44-I48 HydrophobicContact CD2-CD1 4.02Å; L44-I48 HydrophobicContact CG-CD1 4.34Å; L44-I48 WeakPolarHBondContact O-CB 3.41Å; L44-I48 WeakPolarHBondContact O-CD1 3.46Å; L44-I48 WeakPolarHBondContact O-CG1 3.34Å; L44-I48 PolarHBondContact O-N 3.17Å |
| 45 | S | 66 | Low | 65.9 | Low | 59 Ų | 59 | 108.1 Ų | 108.1 | 41% | 0.413 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.4 | -42.1 | 179 | -179.8 | 0 | 0 | 0 | 0 | 112.4 | F41 C42 L43 A49 | F41-S45 WeakPolarHBondContact O-CB 3.49Å; F41-S45 PolarHBondContact O-N 2.85Å; C42-S45 PolarHBondContact O-N 3.43Å; L43-S45 VanDerWaalsContact C-N 3.28Å; L43-S45 PolarHBondContact O-N 2.93Å; S45-A49 VanDerWaalsContact O-CB 3.28Å; S45-A49 WeakPolarHBondContact O-CB 3.48Å; S45-A49 PolarHBondContact O-N 3.03Å |
| 46 | E | 73.7 | Confident | 67.4 | Low | 135 Ų | 135 | 107.3 Ų | 107.3 | 63% | 0.631 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.1 | -43.2 | 175.4 | -86 | 179.3 | 156 | 0 | 0 | 111.1 | C42 L43 I48 A49 E50 | C42-E46 PolarHBondContact O-N 3.5Å; L43-E46 PolarHBondContact O-N 3.05Å; E46-I48 PolarHBondContact O-N 3.15Å; E46-A49 PolarHBondContact O-N 3.48Å; E46-E50 PolarHBondContact O-N 2.8Å |
| 47 | E | 70.2 | Confident | 69.1 | Low | 111 Ų | 111 | 105.2 Ų | 105.2 | 52% | 0.519 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.2 | -38 | 178.9 | -167.9 | 174.7 | 174.7 | 0 | 0 | 112.3 | L43 K51 | L43-E47 PolarHBondContact O-N 3.36Å; L43-E47 VanDerWaalsContact O-N 3.16Å; E47-K51 WeakPolarHBondContact O-CB 3.39Å; E47-K51 WeakPolarHBondContact O-CG 3.3Å; E47-K51 PolarHBondContact O-N 2.62Å; E47-K51 VanDerWaalsContact O-N 3.12Å |
| 48 | I | 71.7 | Confident | 70.5 | Confident | 105 Ų | 105 | 104.8 Ų | 104.8 | 54% | 0.538 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.5 | -40.2 | 173.3 | -69.5 | 167 | 0 | 0 | 0 | 110.8 | L44 E46 S52 | L44-I48 HydrophobicContact CD2-CD1 4.02Å; L44-I48 HydrophobicContact CG-CD1 4.34Å; L44-I48 WeakPolarHBondContact O-CB 3.41Å; L44-I48 WeakPolarHBondContact O-CD1 3.46Å; L44-I48 WeakPolarHBondContact O-CG1 3.34Å; L44-I48 PolarHBondContact O-N 3.17Å; E46-I48 PolarHBondContact O-N 3.15Å; I48-S52 VanDerWaalsContact O-CB 3.29Å; I48-S52 WeakPolarHBondContact O-CB 3.13Å; I48-S52 PolarHBondContact O-N 3.42Å |
| 49 | A | 75.6 | Confident | 71.7 | Confident | 51 Ų | 51 | 103.3 Ų | 103.3 | 42% | 0.421 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S45 E46 S52 Q53 | S45-A49 VanDerWaalsContact O-CB 3.28Å; S45-A49 WeakPolarHBondContact O-CB 3.48Å; S45-A49 PolarHBondContact O-N 3.03Å; E46-A49 PolarHBondContact O-N 3.48Å; A49-S52 WeakPolarHBondContact O-CB 3.43Å; A49-S52 PolarHBondContact O-N 3.34Å; A49-Q53 WeakPolarHBondContact O-CB 3.21Å; A49-Q53 PolarHBondContact O-N 3.47Å |
| 50 | E | 80.4 | Confident | 73 | Confident | 145 Ų | 145 | 99.4 Ų | 99.4 | 68% | 0.678 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.2 | -44.5 | 178.6 | -169.2 | 177.7 | 178 | 0 | 0 | 111.5 | E46 S52 Q53 A54 | E46-E50 PolarHBondContact O-N 2.8Å; E50-S52 VanDerWaalsContact C-N 3.33Å; E50-S52 PolarHBondContact O-N 3.48Å; E50-Q53 PolarHBondContact O-N 2.94Å; E50-A54 WeakPolarHBondContact O-CB 3.46Å; E50-A54 PolarHBondContact O-N 3.13Å |
| 51 | K | 75.7 | Confident | 74.4 | Confident | 143 Ų | 143 | 101.2 Ų | 101.2 | 62% | 0.622 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.9 | -38.5 | 173.8 | -76 | -176 | -176.1 | -125.9 | 0 | 112.3 | E47 L55 | E47-K51 WeakPolarHBondContact O-CB 3.39Å; E47-K51 WeakPolarHBondContact O-CG 3.3Å; E47-K51 PolarHBondContact O-N 2.62Å; E47-K51 VanDerWaalsContact O-N 3.12Å; K51-L55 VanDerWaalsContact O-CB 3.26Å; K51-L55 WeakPolarHBondContact O-CB 3.26Å; K51-L55 PolarHBondContact O-N 2.86Å |
| 52 | S | 76.5 | Confident | 75.3 | Confident | 72 Ų | 72 | 101.9 Ų | 101.9 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 176.3 | -174 | 0 | 0 | 0 | 0 | 111.3 | I48 A49 E50 L55 E56 | I48-S52 VanDerWaalsContact O-CB 3.29Å; I48-S52 WeakPolarHBondContact O-CB 3.13Å; I48-S52 PolarHBondContact O-N 3.42Å; A49-S52 WeakPolarHBondContact O-CB 3.43Å; A49-S52 PolarHBondContact O-N 3.34Å; E50-S52 VanDerWaalsContact C-N 3.33Å; E50-S52 PolarHBondContact O-N 3.48Å; S52-L55 PolarHBondContact O-N 3.36Å; S52-E56 WeakPolarHBondContact O-CB 3.41Å; S52-E56 PolarHBondContact O-N 3.43Å |
| 53 | Q | 81.5 | Confident | 76.5 | Confident | 129 Ų | 129 | 103 Ų | 103 | 60% | 0.603 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -74 | -36.5 | -177.1 | -156 | 168.3 | -3.4 | 0 | 0 | 111.9 | A49 E50 E56 N57 | A49-Q53 WeakPolarHBondContact O-CB 3.21Å; A49-Q53 PolarHBondContact O-N 3.47Å; E50-Q53 PolarHBondContact O-N 2.94Å; Q53-E56 PolarHBondContact O-N 3.5Å; Q53-N57 VanDerWaalsContact O-CG 3.3Å; Q53-N57 PolarHBondContact O-N 3.43Å; Q53-N57 PolarHBondContact O-ND2 2.93Å |
| 54 | A | 81.1 | Confident | 77.1 | Confident | 49 Ų | 49 | 101.7 Ų | 101.7 | 41% | 0.405 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63 | -44 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E50 E56 N57 I58 | E50-A54 WeakPolarHBondContact O-CB 3.46Å; E50-A54 PolarHBondContact O-N 3.13Å; A54-E56 VanDerWaalsContact C-N 3.35Å; A54-E56 PolarHBondContact O-N 2.85Å; A54-N57 PolarHBondContact O-N 2.77Å; A54-I58 WeakPolarHBondContact O-CG1 3.31Å; A54-I58 PolarHBondContact O-N 2.63Å |
| 55 | L | 80 | Confident | 77.5 | Confident | 109 Ų | 109 | 101 Ų | 101 | 57% | 0.571 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.9 | -42.2 | 176 | -164 | 78.9 | 0 | 0 | 0 | 111.1 | K51 S52 N57 I58 Q59 | K51-L55 VanDerWaalsContact O-CB 3.26Å; K51-L55 WeakPolarHBondContact O-CB 3.26Å; K51-L55 PolarHBondContact O-N 2.86Å; S52-L55 PolarHBondContact O-N 3.36Å; L55-N57 VanDerWaalsContact C-N 3.34Å; L55-N57 PolarHBondContact O-N 3.16Å; L55-I58 PolarHBondContact O-N 3.4Å; L55-Q59 VanDerWaalsContact O-CB 3.32Å; L55-Q59 WeakPolarHBondContact O-CB 3.34Å; L55-Q59 PolarHBondContact O-N 3.34Å |
| 56 | E | 84 | Confident | 77.6 | Confident | 103 Ų | 103 | 102.8 Ų | 102.8 | 48% | 0.481 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 178.3 | -157.7 | -171.7 | 151.7 | 0 | 0 | 111.9 | S52 Q53 A54 Q59 R60 | S52-E56 WeakPolarHBondContact O-CB 3.41Å; S52-E56 PolarHBondContact O-N 3.43Å; Q53-E56 PolarHBondContact O-N 3.5Å; A54-E56 VanDerWaalsContact C-N 3.35Å; A54-E56 PolarHBondContact O-N 2.85Å; E56-Q59 PolarHBondContact O-N 3.03Å; E56-R60 VanDerWaalsContact CD-NH2 3.31Å; E56-R60 VanDerWaalsContact O-CB 3.29Å; E56-R60 WeakPolarHBondContact O-CB 3.2Å; E56-R60 PolarHBondContact O-N 2.93Å; E56-R60 IonicContact OE1-CZ 3.96Å; E56-R60 IonicContact OE1-NH2 2.81Å; E56-R60 PolarHBondContact OE1-NH2 3.17Å |
| 57 | N | 84.3 | Confident | 77.3 | Confident | 76 Ų | 76 | 101.8 Ų | 101.8 | 41% | 0.406 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 175.2 | -71.3 | -23.3 | 0 | 0 | 0 | 112.2 | Q53 A54 L55 R60 T61 | Q53-N57 VanDerWaalsContact O-CG 3.3Å; Q53-N57 PolarHBondContact O-N 3.43Å; Q53-N57 PolarHBondContact O-ND2 2.93Å; A54-N57 PolarHBondContact O-N 2.77Å; L55-N57 VanDerWaalsContact C-N 3.34Å; L55-N57 PolarHBondContact O-N 3.16Å; N57-R60 PolarHBondContact OD1-NH1 3.5Å; N57-T61 WeakPolarHBondContact O-CB 3.27Å; N57-T61 PolarHBondContact O-N 2.93Å; N57-T61 PolarHBondContact O-OG1 3.28Å |
| 58 | I | 80.2 | Confident | 77.1 | Confident | 101 Ų | 101 | 98.9 Ų | 98.9 | 52% | 0.518 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 174.2 | -68.1 | 168.3 | 0 | 0 | 0 | 110.2 | A54 L55 T61 H62 | A54-I58 WeakPolarHBondContact O-CG1 3.31Å; A54-I58 PolarHBondContact O-N 2.63Å; L55-I58 PolarHBondContact O-N 3.4Å; I58-T61 PolarHBondContact O-N 3.29Å; I58-H62 PolarHBondContact O-CD2 2.9Å; I58-H62 PolarHBondContact O-N 2.9Å |
| 59 | Q | 82.4 | Confident | 76.6 | Confident | 127 Ų | 127 | 102.2 Ų | 102.2 | 59% | 0.593 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.6 | -42.6 | -179.5 | -155.6 | 172.2 | -55.1 | 0 | 0 | 111.2 | L55 E56 T61 H62 E63 | L55-Q59 VanDerWaalsContact O-CB 3.32Å; L55-Q59 WeakPolarHBondContact O-CB 3.34Å; L55-Q59 PolarHBondContact O-N 3.34Å; E56-Q59 PolarHBondContact O-N 3.03Å; Q59-T61 VanDerWaalsContact C-N 3.35Å; Q59-T61 PolarHBondContact O-N 3.47Å; Q59-H62 PolarHBondContact O-N 3.28Å; Q59-E63 WeakPolarHBondContact O-CB 3.48Å; Q59-E63 PolarHBondContact O-N 3.32Å |
| 60 | R | 80.1 | Confident | 75.9 | Confident | 108 Ų | 108 | 103.1 Ų | 103.1 | 41% | 0.408 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.3 | -35.5 | 175 | -154 | -176.9 | -58.7 | 124.5 | -0.6 | 112.3 | E56 N57 E63 N64 | E56-R60 VanDerWaalsContact CD-NH2 3.31Å; E56-R60 VanDerWaalsContact O-CB 3.29Å; E56-R60 WeakPolarHBondContact O-CB 3.2Å; E56-R60 PolarHBondContact O-N 2.93Å; E56-R60 IonicContact OE1-CZ 3.96Å; E56-R60 IonicContact OE1-NH2 2.81Å; E56-R60 PolarHBondContact OE1-NH2 3.17Å; N57-R60 PolarHBondContact OD1-NH1 3.5Å; R60-E63 PolarHBondContact O-N 3.45Å; R60-N64 WeakPolarHBondContact O-CB 3.49Å; R60-N64 PolarHBondContact O-N 3.49Å; R60-N64 PolarHBondContact O-ND2 2.96Å |
| 61 | T | 81.3 | Confident | 74.9 | Confident | 85 Ų | 85 | 100.4 Ų | 100.4 | 52% | 0.521 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.4 | -42.5 | 174.3 | -53.1 | 0 | 0 | 0 | 0 | 110.9 | N57 I58 Q59 N64 V65 | N57-T61 WeakPolarHBondContact O-CB 3.27Å; N57-T61 PolarHBondContact O-N 2.93Å; N57-T61 PolarHBondContact O-OG1 3.28Å; I58-T61 PolarHBondContact O-N 3.29Å; Q59-T61 VanDerWaalsContact C-N 3.35Å; Q59-T61 PolarHBondContact O-N 3.47Å; T61-N64 PolarHBondContact O-N 2.95Å; T61-V65 HydrophobicContact CG2-CG2 4.42Å; T61-V65 WeakPolarHBondContact O-CB 3.36Å; T61-V65 WeakPolarHBondContact O-CG2 3.29Å; T61-V65 PolarHBondContact O-N 3.44Å |
| 62 | H | 79.1 | Confident | 74.4 | Confident | 119 Ų | 119 | 102.3 Ų | 102.3 | 55% | 0.551 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.1 | -43.8 | 172.7 | -96.2 | -93.6 | 0 | 0 | 0 | 111.7 | I58 Q59 V65 I66 | I58-H62 PolarHBondContact O-CD2 2.9Å; I58-H62 PolarHBondContact O-N 2.9Å; Q59-H62 PolarHBondContact O-N 3.28Å; H62-V65 PolarHBondContact O-N 3.06Å; H62-I66 VanDerWaalsContact O-CB 3.28Å; H62-I66 WeakPolarHBondContact O-CB 3.46Å; H62-I66 WeakPolarHBondContact O-CD1 3.41Å; H62-I66 WeakPolarHBondContact O-CG1 3.28Å; H62-I66 PolarHBondContact O-N 3.34Å |
| 63 | E | 77 | Confident | 74.1 | Confident | 111 Ų | 111 | 100.5 Ų | 100.5 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.3 | -46.6 | 178.1 | -166.6 | 164.4 | -160.5 | 0 | 0 | 111.3 | Q59 R60 V65 I66 E67 | Q59-E63 WeakPolarHBondContact O-CB 3.48Å; Q59-E63 PolarHBondContact O-N 3.32Å; R60-E63 PolarHBondContact O-N 3.45Å; E63-V65 PolarHBondContact O-N 3.32Å; E63-I66 CarbonylContact O-C 3.6Å; E63-I66 PolarHBondContact O-N 3.03Å; E63-E67 WeakPolarHBondContact O-CB 3.42Å; E63-E67 WeakPolarHBondContact O-CG 3.26Å; E63-E67 PolarHBondContact O-N 2.83Å |
| 64 | N | 74.5 | Confident | 74 | Confident | 97 Ų | 97 | 99.7 Ų | 99.7 | 52% | 0.519 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.6 | -39.2 | 176.3 | -69.5 | -20.8 | 0 | 0 | 0 | 113 | R60 T61 G68 | R60-N64 WeakPolarHBondContact O-CB 3.49Å; R60-N64 PolarHBondContact O-N 3.49Å; R60-N64 PolarHBondContact O-ND2 2.96Å; T61-N64 PolarHBondContact O-N 2.95Å; N64-G68 PolarHBondContact O-N 3.32Å |
| 65 | V | 72.9 | Confident | 74.1 | Confident | 86 Ų | 86 | 103 Ų | 103 | 52% | 0.521 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.9 | -41.3 | 176.4 | 169.9 | 0 | 0 | 0 | 0 | 110.5 | T61 H62 E63 K69 | T61-V65 HydrophobicContact CG2-CG2 4.42Å; T61-V65 WeakPolarHBondContact O-CB 3.36Å; T61-V65 WeakPolarHBondContact O-CG2 3.29Å; T61-V65 PolarHBondContact O-N 3.44Å; H62-V65 PolarHBondContact O-N 3.06Å; E63-V65 PolarHBondContact O-N 3.32Å; V65-K69 VanDerWaalsContact O-CB 3.32Å; V65-K69 WeakPolarHBondContact O-CB 3.49Å; V65-K69 WeakPolarHBondContact O-CG 3.5Å; V65-K69 PolarHBondContact O-N 3.15Å |
| 66 | I | 67.7 | Low | 74.2 | Confident | 96 Ų | 96 | 101 Ų | 101 | 49% | 0.492 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.6 | -51.3 | 174 | -69.5 | 165.5 | 0 | 0 | 0 | 108.9 | H62 E63 G68 K69 L70 | H62-I66 VanDerWaalsContact O-CB 3.28Å; H62-I66 WeakPolarHBondContact O-CB 3.46Å; H62-I66 WeakPolarHBondContact O-CD1 3.41Å; H62-I66 WeakPolarHBondContact O-CG1 3.28Å; H62-I66 PolarHBondContact O-N 3.34Å; E63-I66 CarbonylContact O-C 3.6Å; E63-I66 PolarHBondContact O-N 3.03Å; I66-G68 VanDerWaalsContact C-N 3.35Å; I66-G68 PolarHBondContact O-N 3.5Å; I66-K69 PolarHBondContact O-N 3.2Å; I66-L70 HydrophobicContact CG2-CD2 4.28Å; I66-L70 WeakPolarHBondContact O-CA 3.36Å; I66-L70 WeakPolarHBondContact O-CB 3.46Å; I66-L70 PolarHBondContact O-N 3.45Å |
| 67 | E | 67.3 | Low | 74.4 | Confident | 114 Ų | 114 | 103 Ų | 103 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -57.6 | -45.5 | 178.9 | -76.9 | -168.4 | 158.8 | 0 | 0 | 112.5 | E63 L70 S71 | E63-E67 WeakPolarHBondContact O-CB 3.42Å; E63-E67 WeakPolarHBondContact O-CG 3.26Å; E63-E67 PolarHBondContact O-N 2.83Å; E67-L70 PolarHBondContact O-N 3.48Å; E67-S71 WeakPolarHBondContact O-CB 3.37Å; E67-S71 PolarHBondContact O-N 3.19Å |
| 68 | G | 65.1 | Low | 74.6 | Confident | 50 Ų | 50 | 106.4 Ų | 106.4 | 52% | 0.515 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N64 I66 | N64-G68 PolarHBondContact O-N 3.32Å; I66-G68 VanDerWaalsContact C-N 3.35Å; I66-G68 PolarHBondContact O-N 3.5Å |
| 69 | K | 61.1 | Low | 74.9 | Confident | 175 Ų | 175 | 105.1 Ų | 105.1 | 76% | 0.761 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -74 | -35.2 | 176.3 | -78 | -93.3 | -178.6 | 170.9 | 0 | 112.6 | V65 I66 S71 | V65-K69 VanDerWaalsContact O-CB 3.32Å; V65-K69 WeakPolarHBondContact O-CB 3.49Å; V65-K69 WeakPolarHBondContact O-CG 3.5Å; V65-K69 PolarHBondContact O-N 3.15Å; I66-K69 PolarHBondContact O-N 3.2Å; K69-S71 VanDerWaalsContact C-N 3.32Å |
| 70 | L | 61.7 | Low | 75.3 | Confident | 71 Ų | 71 | 104.4 Ų | 104.4 | 37% | 0.372 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -73.5 | -30.3 | -175.9 | -159.3 | 73.6 | 0 | 0 | 0 | 109.5 | I66 E67 E72 S73 K76 | I66-L70 HydrophobicContact CG2-CD2 4.28Å; I66-L70 WeakPolarHBondContact O-CA 3.36Å; I66-L70 WeakPolarHBondContact O-CB 3.46Å; I66-L70 PolarHBondContact O-N 3.45Å; E67-L70 PolarHBondContact O-N 3.48Å; L70-E72 PolarHBondContact O-N 2.9Å; L70-S73 PolarHBondContact O-N 3.43Å; L70-S73 VanDerWaalsContact O-N 3.15Å; L70-S73 PolarHBondContact O-OG 3.37Å; L70-K76 HydrophobicContact CD2-CD 4.46Å; L70-K76 HydrophobicContact CD2-CG 4.31Å; L70-K76 HydrophobicContact CG-CD 4.06Å; L70-K76 HydrophobicContact CG-CG 3.79Å; L70-K76 WeakPolarHBondContact O-CD 3.42Å; L70-K76 WeakPolarHBondContact O-CE 3.44Å; L70-K76 WeakPolarHBondContact O-CG 3.24Å |
| 71 | S | 60.1 | Low | 75.8 | Confident | 88 Ų | 88 | 103 Ų | 103 | 62% | 0.615 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -26.1 | -178 | -161.3 | 0 | 0 | 0 | 0 | 115 | E67 K69 K76 | E67-S71 WeakPolarHBondContact O-CB 3.37Å; E67-S71 PolarHBondContact O-N 3.19Å; K69-S71 VanDerWaalsContact C-N 3.32Å; S71-K76 VanDerWaalsContact CA-NZ 3.29Å |
| 72 | E | 64.3 | Low | 76.2 | Confident | 183 Ų | 183 | 106.1 Ų | 106.1 | 86% | 0.855 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -1.4 | 179.2 | -64.1 | -167.7 | 158 | 0 | 0 | 113.5 | L70 | L70-E72 PolarHBondContact O-N 2.9Š|
| 73 | S | 69.4 | Low | 76.9 | Confident | 34 Ų | 34 | 102.3 Ų | 102.3 | 24% | 0.238 | 54% | 0.535 | C | S | . | . | trans | -94.9 | 129.9 | -169.3 | 67.5 | 0 | 0 | 0 | 0 | 113.7 | L70 I75 K76 | L70-S73 PolarHBondContact O-N 3.43Å; L70-S73 VanDerWaalsContact O-N 3.15Å; L70-S73 PolarHBondContact O-OG 3.37Å; S73-I75 PolarHBondContact O-N 3.47Å; S73-K76 PolarHBondContact O-N 3.38Å; S73-K76 VanDerWaalsContact O-N 3.14Å | ||
| 74 | P | 80.8 | Confident | 77.5 | Confident | 111 Ų | 111 | 100.3 Ų | 100.3 | 72% | 0.721 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.5 | -17.1 | 176.7 | 23.5 | -33.9 | 0 | 0 | 0 | 113.8 | K76 F77 F78 | P74-K76 VanDerWaalsContact C-N 3.29Å; P74-K76 PolarHBondContact O-N 3.07Å; P74-F77 PolarHBondContact O-N 2.67Å; P74-F78 PolarHBondContact O-N 2.94Å; P74-F78 VanDerWaalsContact O-N 3.16Å |
| 75 | I | 83.6 | Confident | 78.4 | Confident | 118 Ų | 118 | 100.2 Ų | 100.2 | 61% | 0.605 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -56.8 | -37.4 | 173.7 | -85.5 | 165 | 0 | 0 | 0 | 112.6 | S73 F77 F78 C79 | S73-I75 PolarHBondContact O-N 3.47Å; I75-F77 PolarHBondContact O-N 2.87Å; I75-F78 PolarHBondContact O-N 3.45Å; I75-C79 WeakPolarHBondContact O-CB 3.3Å; I75-C79 PolarHBondContact O-N 2.94Å |
| 76 | K | 81.1 | Confident | 79.3 | Confident | 69 Ų | 69 | 96.9 Ų | 96.9 | 30% | 0.3 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.7 | -47.6 | 177.9 | -76.3 | -170.5 | 171.2 | 177.2 | 0 | 111.2 | L70 S71 S73 P74 F78 C79 I80 | L70-K76 HydrophobicContact CD2-CD 4.46Å; L70-K76 HydrophobicContact CD2-CG 4.31Å; L70-K76 HydrophobicContact CG-CD 4.06Å; L70-K76 HydrophobicContact CG-CG 3.79Å; L70-K76 WeakPolarHBondContact O-CD 3.42Å; L70-K76 WeakPolarHBondContact O-CE 3.44Å; L70-K76 WeakPolarHBondContact O-CG 3.24Å; S71-K76 VanDerWaalsContact CA-NZ 3.29Å; S73-K76 PolarHBondContact O-N 3.38Å; S73-K76 VanDerWaalsContact O-N 3.14Å; P74-K76 VanDerWaalsContact C-N 3.29Å; P74-K76 PolarHBondContact O-N 3.07Å; K76-F78 VanDerWaalsContact C-N 3.34Å; K76-F78 PolarHBondContact O-N 2.73Å; K76-C79 PolarHBondContact O-N 3.44Å; K76-I80 VanDerWaalsContact O-CG1 3.3Å; K76-I80 WeakPolarHBondContact O-CG1 3.2Å; K76-I80 PolarHBondContact O-N 3.3Å |
| 77 | F | 87.6 | Confident | 80.4 | Confident | 143 Ų | 143 | 96.6 Ų | 96.6 | 63% | 0.627 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.7 | -42.6 | -179.3 | -175.4 | -103.6 | 0 | 0 | 0 | 111.3 | P74 I75 C79 I80 L81 | P74-F77 PolarHBondContact O-N 2.67Å; I75-F77 PolarHBondContact O-N 2.87Å; F77-C79 PolarHBondContact O-N 3.3Å; F77-I80 PolarHBondContact O-N 2.84Å; F77-L81 HydrophobicContact CD1-CD1 3.79Å; F77-L81 HydrophobicContact CD1-CG 4.37Å; F77-L81 HydrophobicContact CE1-CD1 3.28Å; F77-L81 HydrophobicContact CE1-CG 4.01Å; F77-L81 HydrophobicContact CZ-CD1 3.78Å; F77-L81 HydrophobicContact CZ-CD2 4.4Å; F77-L81 HydrophobicContact CZ-CG 4.12Å; F77-L81 WeakPolarHBondContact O-CG 3.29Å; F77-L81 PolarHBondContact O-N 3.49Å |
| 78 | F | 88.3 | Confident | 81.6 | Confident | 149 Ų | 149 | 94.3 Ų | 94.3 | 65% | 0.654 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.2 | -42.6 | 174.2 | -174.5 | -96.9 | 0 | 0 | 0 | 112.4 | P74 I75 K76 L81 Y82 | P74-F78 PolarHBondContact O-N 2.94Å; P74-F78 VanDerWaalsContact O-N 3.16Å; I75-F78 PolarHBondContact O-N 3.45Å; K76-F78 VanDerWaalsContact C-N 3.34Å; K76-F78 PolarHBondContact O-N 2.73Å; F78-L81 PolarHBondContact O-N 3Å; F78-Y82 VanDerWaalsContact O-CB 3.32Å; F78-Y82 WeakPolarHBondContact O-CB 3.2Å; F78-Y82 PolarHBondContact O-N 3.49Å |
| 79 | C | 88 | Confident | 82.8 | Confident | 74 Ų | 74 | 97 Ų | 97 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 176.7 | -173.4 | 0 | 0 | 0 | 0 | 112.1 | I75 K76 F77 Y82 A83 | I75-C79 WeakPolarHBondContact O-CB 3.3Å; I75-C79 PolarHBondContact O-N 2.94Å; K76-C79 PolarHBondContact O-N 3.44Å; F77-C79 PolarHBondContact O-N 3.3Å; C79-Y82 PolarHBondContact O-N 3.26Å; C79-A83 VanDerWaalsContact O-CB 3.25Å; C79-A83 WeakPolarHBondContact O-CB 3.41Å; C79-A83 PolarHBondContact O-N 3.48Å |
| 80 | I | 90.5 | Very high | 84 | Confident | 111 Ų | 111 | 90.9 Ų | 90.9 | 57% | 0.569 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.9 | -42.8 | 176.8 | -66.9 | 164.6 | 0 | 0 | 0 | 111 | K76 F77 A83 S84 | K76-I80 VanDerWaalsContact O-CG1 3.3Å; K76-I80 WeakPolarHBondContact O-CG1 3.2Å; K76-I80 PolarHBondContact O-N 3.3Å; F77-I80 PolarHBondContact O-N 2.84Å; I80-A83 PolarHBondContact O-N 3.47Å; I80-S84 WeakPolarHBondContact O-CB 3.42Å; I80-S84 PolarHBondContact O-N 3.47Å; I80-S84 PolarHBondContact O-OG 2.83Å |
| 81 | L | 89.8 | Confident | 85.1 | Confident | 79 Ų | 79 | 93.3 Ų | 93.3 | 41% | 0.414 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 175.4 | -76.3 | 179.7 | 0 | 0 | 0 | 112.4 | F77 F78 A83 S84 V85 | F77-L81 HydrophobicContact CD1-CD1 3.79Å; F77-L81 HydrophobicContact CD1-CG 4.37Å; F77-L81 HydrophobicContact CE1-CD1 3.28Å; F77-L81 HydrophobicContact CE1-CG 4.01Å; F77-L81 HydrophobicContact CZ-CD1 3.78Å; F77-L81 HydrophobicContact CZ-CD2 4.4Å; F77-L81 HydrophobicContact CZ-CG 4.12Å; F77-L81 WeakPolarHBondContact O-CG 3.29Å; F77-L81 PolarHBondContact O-N 3.49Å; F78-L81 PolarHBondContact O-N 3Å; L81-A83 VanDerWaalsContact C-N 3.34Å; L81-S84 PolarHBondContact O-N 3.38Å; L81-S84 PolarHBondContact O-OG 2.92Å; L81-V85 PolarHBondContact O-N 3.38Å |
| 82 | Y | 91.1 | Very high | 86.5 | Confident | 150 Ų | 150 | 93 Ų | 93 | 59% | 0.588 | 50% | 0.504 | S | S | * | . | I | π-helix | trans | -63.9 | -40.5 | 174.6 | 176.8 | -98.4 | 0 | 0 | 0 | 111.4 | F78 C79 G86 I87 | F78-Y82 VanDerWaalsContact O-CB 3.32Å; F78-Y82 WeakPolarHBondContact O-CB 3.2Å; F78-Y82 PolarHBondContact O-N 3.49Å; C79-Y82 PolarHBondContact O-N 3.26Å; Y82-G86 WeakPolarHBondContact O-CA 3.42Å; Y82-G86 PolarHBondContact O-N 2.87Å; Y82-I87 PolarHBondContact O-N 2.92Å |
| 83 | A | 93.3 | Very high | 87.6 | Confident | 39 Ų | 39 | 88 Ų | 88 | 32% | 0.322 | 49% | 0.486 | S | S | . | . | I | π-helix | trans | -66.8 | -41.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | C79 I80 L81 I87 | C79-A83 VanDerWaalsContact O-CB 3.25Å; C79-A83 WeakPolarHBondContact O-CB 3.41Å; C79-A83 PolarHBondContact O-N 3.48Å; I80-A83 PolarHBondContact O-N 3.47Å; L81-A83 VanDerWaalsContact C-N 3.34Å; A83-I87 HydrophobicContact CB-CD1 3.84Å; A83-I87 WeakPolarHBondContact O-CB 3.15Å; A83-I87 WeakPolarHBondContact O-CD1 3.36Å; A83-I87 WeakPolarHBondContact O-CG1 3.47Å |
| 84 | S | 89.8 | Confident | 88.3 | Confident | 69 Ų | 69 | 88.4 Ų | 88.4 | 48% | 0.483 | 49% | 0.487 | S | S | . | . | I | π-helix | trans | -75.1 | -38.2 | -176.3 | 66.1 | 0 | 0 | 0 | 0 | 113.6 | I80 L81 P88 | I80-S84 WeakPolarHBondContact O-CB 3.42Å; I80-S84 PolarHBondContact O-N 3.47Å; I80-S84 PolarHBondContact O-OG 2.83Å; L81-S84 PolarHBondContact O-N 3.38Å; L81-S84 PolarHBondContact O-OG 2.92Å; S84-P88 VanDerWaalsContact O-CD 3.26Å; S84-P88 WeakPolarHBondContact O-CD 3.33Å; S84-P88 VanDerWaalsContact O-CG 3.27Å; S84-P88 WeakPolarHBondContact O-CG 3.34Å |
| 85 | V | 92.7 | Very high | 88.5 | Confident | 95 Ų | 95 | 84.4 Ų | 84.4 | 58% | 0.576 | 47% | 0.466 | S | S | * | . | I | π-helix | trans | -99.3 | -41.9 | -178.9 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | L81 L89 | L81-V85 PolarHBondContact O-N 3.38Å; V85-L89 VanDerWaalsContact O-CB 3.23Å; V85-L89 WeakPolarHBondContact O-CB 3.03Å; V85-L89 PolarHBondContact O-N 2.83Å |
| 86 | G | 91 | Very high | 88.6 | Confident | 16 Ų | 16 | 83.5 Ų | 83.5 | 17% | 0.165 | 46% | 0.462 | C | S | . | . | I | π-helix | trans | -72.3 | -40.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y82 L89 A90 | Y82-G86 WeakPolarHBondContact O-CA 3.42Å; Y82-G86 PolarHBondContact O-N 2.87Å; G86-L89 PolarHBondContact O-N 3.41Å; G86-A90 WeakPolarHBondContact O-CB 3.38Å; G86-A90 PolarHBondContact O-N 2.7Å |
| 87 | I | 91 | Very high | 88.8 | Confident | 91 Ų | 91 | 85.3 Ų | 85.3 | 47% | 0.467 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.1 | -49.3 | 179.8 | -59 | 168.9 | 0 | 0 | 0 | 111.2 | Y82 A83 L89 A90 L91 | Y82-I87 PolarHBondContact O-N 2.92Å; A83-I87 HydrophobicContact CB-CD1 3.84Å; A83-I87 WeakPolarHBondContact O-CB 3.15Å; A83-I87 WeakPolarHBondContact O-CD1 3.36Å; A83-I87 WeakPolarHBondContact O-CG1 3.47Å; I87-L89 VanDerWaalsContact C-N 3.34Å; I87-L89 PolarHBondContact O-N 3.45Å; I87-A90 PolarHBondContact O-N 3.24Å; I87-L91 HydrophobicContact CG2-CD1 4.12Å; I87-L91 HydrophobicContact CG2-CG 4.47Å; I87-L91 WeakPolarHBondContact O-CG 3.2Å; I87-L91 PolarHBondContact O-N 2.96Å |
| 88 | P | 92.6 | Very high | 88.4 | Confident | 66 Ų | 66 | 78.6 Ų | 78.6 | 43% | 0.429 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 175 | -25 | 36.3 | 0 | 0 | 0 | 112.8 | S84 L91 V92 | S84-P88 VanDerWaalsContact O-CD 3.26Å; S84-P88 WeakPolarHBondContact O-CD 3.33Å; S84-P88 VanDerWaalsContact O-CG 3.27Å; S84-P88 WeakPolarHBondContact O-CG 3.34Å; P88-L91 PolarHBondContact O-N 3.01Å; P88-V92 WeakPolarHBondContact O-CG2 3.37Å; P88-V92 PolarHBondContact O-N 3.37Å |
| 89 | L | 90 | Very high | 88.2 | Confident | 106 Ų | 106 | 77.6 Ų | 77.6 | 56% | 0.555 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -65.8 | -39.6 | 178.9 | -171 | 65.7 | 0 | 0 | 0 | 111.8 | V85 G86 I87 V92 T93 | V85-L89 VanDerWaalsContact O-CB 3.23Å; V85-L89 WeakPolarHBondContact O-CB 3.03Å; V85-L89 PolarHBondContact O-N 2.83Å; G86-L89 PolarHBondContact O-N 3.41Å; I87-L89 VanDerWaalsContact C-N 3.34Å; I87-L89 PolarHBondContact O-N 3.45Å; L89-V92 PolarHBondContact O-N 3.26Å; L89-T93 WeakPolarHBondContact O-CB 3.2Å; L89-T93 VanDerWaalsContact O-CG2 3.25Å; L89-T93 WeakPolarHBondContact O-CG2 3.32Å; L89-T93 PolarHBondContact O-N 3.02Å; L89-T93 PolarHBondContact O-OG1 3.33Å |
| 90 | A | 86.2 | Confident | 88 | Confident | 46 Ų | 46 | 80.7 Ų | 80.7 | 38% | 0.38 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | G86 I87 T93 V94 | G86-A90 WeakPolarHBondContact O-CB 3.38Å; G86-A90 PolarHBondContact O-N 2.7Å; I87-A90 PolarHBondContact O-N 3.24Å; A90-T93 WeakPolarHBondContact CA-OG1 3.29Å; A90-T93 PolarHBondContact O-N 2.84Å; A90-T93 PolarHBondContact O-OG1 2.87Å; A90-V94 WeakPolarHBondContact O-CB 3.41Å; A90-V94 WeakPolarHBondContact O-CG2 3.42Å; A90-V94 PolarHBondContact O-N 3.42Å |
| 91 | L | 86.7 | Confident | 87.6 | Confident | 123 Ų | 123 | 76.2 Ų | 76.2 | 64% | 0.644 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.2 | -43.3 | 176.8 | -72.2 | 172.7 | 0 | 0 | 0 | 112.3 | I87 P88 G95 | I87-L91 HydrophobicContact CG2-CD1 4.12Å; I87-L91 HydrophobicContact CG2-CG 4.47Å; I87-L91 WeakPolarHBondContact O-CG 3.2Å; I87-L91 PolarHBondContact O-N 2.96Å; P88-L91 PolarHBondContact O-N 3.01Å; L91-G95 PolarHBondContact O-N 2.83Å |
| 92 | V | 89.4 | Confident | 87 | Confident | 82 Ų | 82 | 74 Ų | 74 | 50% | 0.497 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 177.6 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | P88 L89 G95 N96 | P88-V92 WeakPolarHBondContact O-CG2 3.37Å; P88-V92 PolarHBondContact O-N 3.37Å; L89-V92 PolarHBondContact O-N 3.26Å; V92-G95 PolarHBondContact O-N 3.48Å; V92-N96 WeakPolarHBondContact O-CB 3.21Å; V92-N96 VanDerWaalsContact O-CG 3.28Å; V92-N96 PolarHBondContact O-N 2.83Å; V92-N96 PolarHBondContact O-ND2 2.88Å |
| 93 | T | 87.2 | Confident | 86.5 | Confident | 77 Ų | 77 | 72.2 Ų | 72.2 | 47% | 0.472 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.3 | -43.9 | 178.3 | 49.3 | 0 | 0 | 0 | 0 | 111.5 | L89 A90 N96 F97 | L89-T93 WeakPolarHBondContact O-CB 3.2Å; L89-T93 VanDerWaalsContact O-CG2 3.25Å; L89-T93 WeakPolarHBondContact O-CG2 3.32Å; L89-T93 PolarHBondContact O-N 3.02Å; L89-T93 PolarHBondContact O-OG1 3.33Å; A90-T93 WeakPolarHBondContact CA-OG1 3.29Å; A90-T93 PolarHBondContact O-N 2.84Å; A90-T93 PolarHBondContact O-OG1 2.87Å; T93-N96 PolarHBondContact O-N 3.23Å; T93-F97 WeakPolarHBondContact O-CB 3.34Å; T93-F97 PolarHBondContact O-N 3.35Å |
| 94 | V | 84.6 | Confident | 85.8 | Confident | 43 Ų | 43 | 77.4 Ų | 77.4 | 26% | 0.261 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 173.7 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | A90 N96 F97 S98 L205 T209 | A90-V94 WeakPolarHBondContact O-CB 3.41Å; A90-V94 WeakPolarHBondContact O-CG2 3.42Å; A90-V94 PolarHBondContact O-N 3.42Å; V94-N96 PolarHBondContact O-N 3.42Å; V94-F97 PolarHBondContact O-N 3.49Å; V94-S98 WeakPolarHBondContact O-CB 3.39Å; V94-S98 PolarHBondContact O-N 2.85Å; V94-S98 PolarHBondContact O-OG 3.44Å; V94-L205 HydrophobicContact CG2-CD2 4.38Å; V94-T209 HydrophobicContact CG1-CG2 4.14Å |
| 95 | G | 83.5 | Confident | 85.4 | Confident | 27 Ų | 27 | 75.4 Ų | 75.4 | 28% | 0.278 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.2 | -32.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L91 V92 S98 K99 | L91-G95 PolarHBondContact O-N 2.83Å; V92-G95 PolarHBondContact O-N 3.48Å; G95-S98 WeakPolarHBondContact CA-OG 3.25Å; G95-S98 PolarHBondContact O-OG 3.36Å; G95-K99 WeakPolarHBondContact O-CG 3.37Å; G95-K99 PolarHBondContact O-N 3.39Å |
| 96 | N | 86.9 | Confident | 84.6 | Confident | 98 Ų | 98 | 71.7 Ų | 71.7 | 52% | 0.524 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -78.5 | -40.8 | 175.6 | -73.3 | -15.4 | 0 | 0 | 0 | 111.8 | V92 T93 V94 S98 K99 F100 | V92-N96 WeakPolarHBondContact O-CB 3.21Å; V92-N96 VanDerWaalsContact O-CG 3.28Å; V92-N96 PolarHBondContact O-N 2.83Å; V92-N96 PolarHBondContact O-ND2 2.88Å; T93-N96 PolarHBondContact O-N 3.23Å; V94-N96 PolarHBondContact O-N 3.42Å; N96-S98 VanDerWaalsContact C-N 3.26Å; N96-S98 PolarHBondContact O-N 3.32Å; N96-K99 PolarHBondContact O-N 2.74Å; N96-F100 WeakPolarHBondContact O-CB 3.23Å; N96-F100 PolarHBondContact O-N 3.39Å |
| 97 | F | 83.7 | Confident | 84 | Confident | 107 Ų | 107 | 74.7 Ų | 74.7 | 47% | 0.469 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.6 | -37.1 | 178.7 | -161 | -79.3 | 0 | 0 | 0 | 111 | T93 V94 T101 I206 | T93-F97 WeakPolarHBondContact O-CB 3.34Å; T93-F97 PolarHBondContact O-N 3.35Å; V94-F97 PolarHBondContact O-N 3.49Å; F97-T101 WeakPolarHBondContact CE1-OG1 3.29Å; F97-T101 WeakPolarHBondContact O-CB 3.19Å; F97-T101 PolarHBondContact O-N 2.97Å; F97-T101 PolarHBondContact O-OG1 3.47Å; F97-I206 HydrophobicContact CD1-CB 4.12Å; F97-I206 HydrophobicContact CD1-CD1 3.31Å; F97-I206 HydrophobicContact CD1-CG1 3.51Å; F97-I206 HydrophobicContact CD1-CG2 3.49Å; F97-I206 VanDerWaalsContact CD1-CG2 3.49Å; F97-I206 HydrophobicContact CE1-CB 4.39Å; F97-I206 HydrophobicContact CE1-CD1 3.21Å; F97-I206 HydrophobicContact CE1-CG1 3.91Å; F97-I206 HydrophobicContact CE1-CG2 3.76Å; F97-I206 HydrophobicContact CG-CD1 4.18Å; F97-I206 HydrophobicContact CG-CG1 4.38Å; F97-I206 HydrophobicContact CZ-CD1 4.01Å |
| 98 | S | 80.6 | Confident | 83.6 | Confident | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.014 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.2 | -56.4 | 175.3 | 75.3 | 0 | 0 | 0 | 0 | 109.2 | V94 G95 N96 F100 T101 A102 M210 | V94-S98 WeakPolarHBondContact O-CB 3.39Å; V94-S98 PolarHBondContact O-N 2.85Å; V94-S98 PolarHBondContact O-OG 3.44Å; G95-S98 WeakPolarHBondContact CA-OG 3.25Å; G95-S98 PolarHBondContact O-OG 3.36Å; N96-S98 VanDerWaalsContact C-N 3.26Å; N96-S98 PolarHBondContact O-N 3.32Å; S98-F100 VanDerWaalsContact C-N 3.35Å; S98-F100 PolarHBondContact O-N 2.88Å; S98-T101 CarbonylContact O-C 3.53Å; S98-T101 WeakPolarHBondContact O-CA 3.43Å; S98-T101 WeakPolarHBondContact O-CB 3.46Å; S98-T101 PolarHBondContact O-N 3.25Å; S98-A102 PolarHBondContact O-N 3.13Å; S98-M210 VanDerWaalsContact C-CE 3.41Å; S98-M210 VanDerWaalsContact O-CG 3.32Å; S98-M210 WeakPolarHBondContact O-CG 3.37Å; S98-M210 WeakPolarHBondContact OG-CE 3.35Å |
| 99 | K | 83.3 | Confident | 82.9 | Confident | 129 Ų | 129 | 72.3 Ų | 72.3 | 56% | 0.561 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -51.3 | -47.9 | 175.4 | -72.3 | 179.8 | 179.7 | -166.5 | 0 | 113.9 | G95 N96 T101 A102 D103 | G95-K99 WeakPolarHBondContact O-CG 3.37Å; G95-K99 PolarHBondContact O-N 3.39Å; N96-K99 PolarHBondContact O-N 2.74Å; K99-T101 PolarHBondContact O-N 3.43Å; K99-A102 WeakPolarHBondContact O-CB 3.44Å; K99-A102 PolarHBondContact O-N 3.03Å; K99-A102 VanDerWaalsContact O-N 3.09Å; K99-D103 PolarHBondContact O-N 3.33Å |
| 100 | F | 85.3 | Confident | 82.2 | Confident | 138 Ų | 138 | 74.5 Ų | 74.5 | 61% | 0.605 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -57.8 | -39.4 | 176.1 | 177.4 | -97.2 | 0 | 0 | 0 | 112.3 | N96 S98 D103 Y104 | N96-F100 WeakPolarHBondContact O-CB 3.23Å; N96-F100 PolarHBondContact O-N 3.39Å; S98-F100 VanDerWaalsContact C-N 3.35Å; S98-F100 PolarHBondContact O-N 2.88Å; F100-D103 PolarHBondContact O-N 3.49Å; F100-Y104 PolarHBondContact O-N 3.46Å; F100-Y104 VanDerWaalsContact O-N 3.1Å |
| 101 | T | 81 | Confident | 82 | Confident | 17 Ų | 17 | 79.1 Ų | 79.1 | 10% | 0.104 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -70.4 | -36.1 | 177 | -55.5 | 0 | 0 | 0 | 0 | 111.7 | F97 S98 K99 Y104 F105 I206 | F97-T101 WeakPolarHBondContact CE1-OG1 3.29Å; F97-T101 WeakPolarHBondContact O-CB 3.19Å; F97-T101 PolarHBondContact O-N 2.97Å; F97-T101 PolarHBondContact O-OG1 3.47Å; S98-T101 CarbonylContact O-C 3.53Å; S98-T101 WeakPolarHBondContact O-CA 3.43Å; S98-T101 WeakPolarHBondContact O-CB 3.46Å; S98-T101 PolarHBondContact O-N 3.25Å; K99-T101 PolarHBondContact O-N 3.43Å; T101-Y104 WeakPolarHBondContact O-CB 3.23Å; T101-Y104 PolarHBondContact O-N 2.89Å; T101-F105 HydrophobicContact CG2-CD2 3.66Å; T101-F105 HydrophobicContact CG2-CE2 3.34Å; T101-F105 HydrophobicContact CG2-CZ 4.32Å; T101-F105 WeakPolarHBondContact O-CD2 3.48Å; T101-F105 PolarHBondContact O-N 3.42Å; T101-I206 HydrophobicContact CG2-CG2 4.02Å; T101-I206 WeakPolarHBondContact OG1-CG2 3.46Å |
| 102 | A | 77.4 | Confident | 81.7 | Confident | 32 Ų | 32 | 76.8 Ų | 76.8 | 26% | 0.264 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S98 K99 Y104 F105 S106 M210 | S98-A102 PolarHBondContact O-N 3.13Å; K99-A102 WeakPolarHBondContact O-CB 3.44Å; K99-A102 PolarHBondContact O-N 3.03Å; K99-A102 VanDerWaalsContact O-N 3.09Å; A102-Y104 VanDerWaalsContact C-N 3.3Å; A102-Y104 PolarHBondContact O-N 3.34Å; A102-F105 PolarHBondContact O-N 3Å; A102-S106 WeakPolarHBondContact O-CB 3.23Å; A102-S106 PolarHBondContact O-N 3.46Å; A102-M210 HydrophobicContact CB-SD 3.39Å; A102-M210 WeakPolarHBondContact CB-SD 3.2Å |
| 103 | D | 80.2 | Confident | 81.2 | Confident | 113 Ų | 113 | 77.2 Ų | 77.2 | 60% | 0.604 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.4 | -41.9 | 175.6 | -66.3 | -22.4 | 0 | 0 | 0 | 111 | K99 F100 S106 S107 | K99-D103 PolarHBondContact O-N 3.33Å; F100-D103 PolarHBondContact O-N 3.49Å; D103-S106 PolarHBondContact O-N 2.87Å; D103-S107 VanDerWaalsContact O-CB 3.29Å; D103-S107 WeakPolarHBondContact O-CB 3.41Å; D103-S107 PolarHBondContact O-N 3.38Å |
| 104 | Y | 79.8 | Confident | 80.6 | Confident | 148 Ų | 148 | 82.8 Ų | 82.8 | 58% | 0.58 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.7 | -45 | 173.7 | -179.3 | -96.9 | 0 | 0 | 0 | 112.1 | F100 T101 A102 S107 L108 | F100-Y104 PolarHBondContact O-N 3.46Å; F100-Y104 VanDerWaalsContact O-N 3.1Å; T101-Y104 WeakPolarHBondContact O-CB 3.23Å; T101-Y104 PolarHBondContact O-N 2.89Å; A102-Y104 VanDerWaalsContact C-N 3.3Å; A102-Y104 PolarHBondContact O-N 3.34Å; Y104-S107 WeakPolarHBondContact O-CB 3.11Å; Y104-S107 PolarHBondContact O-N 3.06Å; Y104-L108 WeakPolarHBondContact O-CB 2.92Å; Y104-L108 PolarHBondContact O-N 3.49Å |
| 105 | F | 80.1 | Confident | 80.1 | Confident | 28 Ų | 28 | 84.1 Ų | 84.1 | 12% | 0.123 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -71.5 | -32.7 | 178.5 | -75.9 | -56.6 | 0 | 0 | 0 | 113.6 | T101 A102 L108 Y109 I146 I207 | T101-F105 HydrophobicContact CG2-CD2 3.66Å; T101-F105 HydrophobicContact CG2-CE2 3.34Å; T101-F105 HydrophobicContact CG2-CZ 4.32Å; T101-F105 WeakPolarHBondContact O-CD2 3.48Å; T101-F105 PolarHBondContact O-N 3.42Å; A102-F105 PolarHBondContact O-N 3Å; F105-L108 HydrophobicContact CD1-CD2 4.01Å; F105-L108 HydrophobicContact CE1-CD2 4.39Å; F105-L108 PolarHBondContact O-N 3.36Å; F105-Y109 WeakPolarHBondContact O-CB 3.44Å; F105-Y109 PolarHBondContact O-N 2.75Å; F105-I146 HydrophobicContact CB-CD1 4.29Å; F105-I146 HydrophobicContact CD1-CD1 3.62Å; F105-I146 HydrophobicContact CD1-CG1 4.47Å; F105-I146 HydrophobicContact CD1-CG2 4.25Å; F105-I146 HydrophobicContact CE1-CD1 4.1Å; F105-I146 HydrophobicContact CE1-CG2 3.66Å; F105-I146 HydrophobicContact CE2-CG2 4.22Å; F105-I146 HydrophobicContact CG-CD1 4.01Å; F105-I146 HydrophobicContact CZ-CG2 3.65Å; F105-I207 HydrophobicContact CE2-CG1 4.41Å |
| 106 | S | 76.6 | Confident | 79.2 | Confident | 17 Ų | 17 | 87 Ų | 87 | 12% | 0.119 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 173 | -174.4 | 0 | 0 | 0 | 0 | 110.4 | A102 D103 L108 Y109 W110 Y136 | A102-S106 WeakPolarHBondContact O-CB 3.23Å; A102-S106 PolarHBondContact O-N 3.46Å; D103-S106 PolarHBondContact O-N 2.87Å; S106-L108 PolarHBondContact O-N 2.88Å; S106-Y109 WeakPolarHBondContact O-CB 3.28Å; S106-Y109 PolarHBondContact O-N 3.36Å; S106-W110 VanDerWaalsContact O-CD1 3.32Å; S106-W110 PolarHBondContact O-N 3.2Å; S106-Y136 PolarHBondContact OG-O 3.08Å |
| 107 | S | 78.2 | Confident | 77.8 | Confident | 78 Ų | 78 | 86.1 Ų | 86.1 | 55% | 0.545 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 170.7 | -175.6 | 0 | 0 | 0 | 0 | 111.7 | D103 Y104 Y109 W110 Y111 | D103-S107 VanDerWaalsContact O-CB 3.29Å; D103-S107 WeakPolarHBondContact O-CB 3.41Å; D103-S107 PolarHBondContact O-N 3.38Å; Y104-S107 WeakPolarHBondContact O-CB 3.11Å; Y104-S107 PolarHBondContact O-N 3.06Å; S107-Y109 PolarHBondContact O-N 2.97Å; S107-W110 PolarHBondContact O-N 2.87Å; S107-Y111 WeakPolarHBondContact O-CB 3.46Å; S107-Y111 PolarHBondContact O-N 3.46Å |
| 108 | L | 81.8 | Confident | 76.1 | Confident | 56 Ų | 56 | 86.4 Ų | 86.4 | 29% | 0.293 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 175.1 | -178.3 | 65 | 0 | 0 | 0 | 112 | Y104 F105 S106 Y111 L112 | Y104-L108 WeakPolarHBondContact O-CB 2.92Å; Y104-L108 PolarHBondContact O-N 3.49Å; F105-L108 HydrophobicContact CD1-CD2 4.01Å; F105-L108 HydrophobicContact CE1-CD2 4.39Å; F105-L108 PolarHBondContact O-N 3.36Å; S106-L108 PolarHBondContact O-N 2.88Å; L108-Y111 PolarHBondContact O-N 2.83Å; L108-L112 HydrophobicContact CD1-CD1 4.19Å; L108-L112 HydrophobicContact CD2-CD1 4.45Å; L108-L112 HydrophobicContact CG-CD1 3.86Å; L108-L112 WeakPolarHBondContact O-CB 3.32Å; L108-L112 WeakPolarHBondContact O-CG 3.37Å; L108-L112 PolarHBondContact O-N 2.74Å |
| 109 | Y | 77.8 | Confident | 74.5 | Confident | 51 Ų | 51 | 91.4 Ų | 91.4 | 20% | 0.2 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -61.4 | -48.3 | 175.4 | 170.4 | -101.8 | 0 | 0 | 0 | 111.3 | F105 S106 S107 Y111 L112 K113 A138 P139 F142 | F105-Y109 WeakPolarHBondContact O-CB 3.44Å; F105-Y109 PolarHBondContact O-N 2.75Å; S106-Y109 WeakPolarHBondContact O-CB 3.28Å; S106-Y109 PolarHBondContact O-N 3.36Å; S107-Y109 PolarHBondContact O-N 2.97Å; Y109-Y111 VanDerWaalsContact C-N 3.29Å; Y109-Y111 PolarHBondContact O-N 3.41Å; Y109-L112 PolarHBondContact O-N 3.3Å; Y109-K113 HydrophobicContact CE1-CD 4.28Å; Y109-K113 VanDerWaalsContact O-CB 3.26Å; Y109-K113 WeakPolarHBondContact O-CB 3.39Å; Y109-K113 PolarHBondContact O-N 2.88Å; Y109-A138 HydrophobicContact CG-CB 4.37Å; Y109-P139 HydrophobicContact CE2-CG 4.02Å; Y109-F142 HydrophobicContact CD2-CD1 4.11Å; Y109-F142 HydrophobicContact CD2-CD2 4.01Å; Y109-F142 HydrophobicContact CD2-CE1 4.13Å; Y109-F142 HydrophobicContact CD2-CE2 4.05Å; Y109-F142 HydrophobicContact CD2-CG 4.04Å; Y109-F142 HydrophobicContact CD2-CZ 4.1Å; Y109-F142 HydrophobicContact CG-CE1 4.32Å |
| 110 | W | 75.4 | Confident | 72.5 | Confident | 152 Ų | 152 | 93.2 Ų | 93.2 | 58% | 0.576 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.2 | -38.2 | 176.8 | -83.8 | 111 | 0 | 0 | 0 | 112.1 | S106 S107 K113 W114 | S106-W110 VanDerWaalsContact O-CD1 3.32Å; S106-W110 PolarHBondContact O-N 3.2Å; S107-W110 PolarHBondContact O-N 2.87Å; W110-K113 PolarHBondContact O-N 2.92Å; W110-W114 VanDerWaalsContact O-CB 3.28Å; W110-W114 WeakPolarHBondContact O-CB 3.4Å; W110-W114 PolarHBondContact O-N 2.81Å |
| 111 | Y | 82 | Confident | 70.4 | Confident | 144 Ų | 144 | 91.1 Ų | 91.1 | 57% | 0.565 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.9 | -47.4 | 174.6 | -178.2 | -98.3 | 0 | 0 | 0 | 112.7 | S107 L108 Y109 K113 W114 T115 | S107-Y111 WeakPolarHBondContact O-CB 3.46Å; S107-Y111 PolarHBondContact O-N 3.46Å; L108-Y111 PolarHBondContact O-N 2.83Å; Y109-Y111 VanDerWaalsContact C-N 3.29Å; Y109-Y111 PolarHBondContact O-N 3.41Å; Y111-K113 VanDerWaalsContact C-N 3.29Å; Y111-K113 PolarHBondContact O-N 3.29Å; Y111-W114 PolarHBondContact O-N 3.3Å; Y111-T115 HydrophobicContact CD1-CG2 4.49Å; Y111-T115 HydrophobicContact CE1-CG2 4.06Å; Y111-T115 HydrophobicContact CE2-CG2 4.39Å; Y111-T115 WeakPolarHBondContact O-CG2 3.42Å; Y111-T115 PolarHBondContact O-N 2.95Å; Y111-T115 PolarHBondContact O-OG1 3.49Å; Y111-T115 VanDerWaalsContact O-OG1 3.09Å |
| 112 | L | 81.1 | Confident | 68.2 | Low | 73 Ų | 73 | 97.2 Ų | 97.2 | 38% | 0.382 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.6 | -41 | 173.8 | -85 | 156.9 | 0 | 0 | 0 | 111.4 | L108 Y109 T115 S116 F142 | L108-L112 HydrophobicContact CD1-CD1 4.19Å; L108-L112 HydrophobicContact CD2-CD1 4.45Å; L108-L112 HydrophobicContact CG-CD1 3.86Å; L108-L112 WeakPolarHBondContact O-CB 3.32Å; L108-L112 WeakPolarHBondContact O-CG 3.37Å; L108-L112 PolarHBondContact O-N 2.74Å; Y109-L112 PolarHBondContact O-N 3.3Å; L112-T115 WeakPolarHBondContact CA-OG1 3.47Å; L112-T115 PolarHBondContact O-N 3.46Å; L112-T115 PolarHBondContact O-OG1 3.34Å; L112-S116 VanDerWaalsContact O-CB 3.22Å; L112-S116 WeakPolarHBondContact O-CB 3.13Å; L112-S116 PolarHBondContact O-N 2.99Å; L112-S116 PolarHBondContact O-OG 2.96Å; L112-F142 HydrophobicContact CD1-CE2 4.15Å; L112-F142 HydrophobicContact CD1-CZ 4Å |
| 113 | K | 78.9 | Confident | 66.2 | Low | 92 Ų | 92 | 102.5 Ų | 102.5 | 40% | 0.4 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.3 | -46.7 | 176.6 | -176.1 | 141.8 | -179.1 | 175.6 | 0 | 111.3 | Y109 W110 Y111 T115 S116 T117 | Y109-K113 HydrophobicContact CE1-CD 4.28Å; Y109-K113 VanDerWaalsContact O-CB 3.26Å; Y109-K113 WeakPolarHBondContact O-CB 3.39Å; Y109-K113 PolarHBondContact O-N 2.88Å; W110-K113 PolarHBondContact O-N 2.92Å; Y111-K113 VanDerWaalsContact C-N 3.29Å; Y111-K113 PolarHBondContact O-N 3.29Å; K113-T115 VanDerWaalsContact C-N 3.3Å; K113-T115 PolarHBondContact O-N 3.46Å; K113-S116 PolarHBondContact O-N 3.27Å; K113-S116 VanDerWaalsContact O-N 3.13Å; K113-T117 HydrophobicContact CG-CG2 4.31Å; K113-T117 PolarHBondContact O-N 3.41Å; K113-T117 PolarHBondContact O-OG1 3.23Å |
| 114 | W | 75.1 | Confident | 64.1 | Low | 193 Ų | 193 | 104 Ų | 104 | 73% | 0.731 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.4 | -40.1 | 177.2 | -179.1 | 78.7 | 0 | 0 | 0 | 112.4 | W110 Y111 | W110-W114 VanDerWaalsContact O-CB 3.28Å; W110-W114 WeakPolarHBondContact O-CB 3.4Å; W110-W114 PolarHBondContact O-N 2.81Å; Y111-W114 PolarHBondContact O-N 3.3Å |
| 115 | T | 73.3 | Confident | 62.1 | Low | 71 Ų | 71 | 106.2 Ų | 106.2 | 44% | 0.436 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -73.9 | -28.2 | 176.3 | 54 | 0 | 0 | 0 | 0 | 113.5 | Y111 L112 K113 | Y111-T115 HydrophobicContact CD1-CG2 4.49Å; Y111-T115 HydrophobicContact CE1-CG2 4.06Å; Y111-T115 HydrophobicContact CE2-CG2 4.39Å; Y111-T115 WeakPolarHBondContact O-CG2 3.42Å; Y111-T115 PolarHBondContact O-N 2.95Å; Y111-T115 PolarHBondContact O-OG1 3.49Å; Y111-T115 VanDerWaalsContact O-OG1 3.09Å; L112-T115 WeakPolarHBondContact CA-OG1 3.47Å; L112-T115 PolarHBondContact O-N 3.46Å; L112-T115 PolarHBondContact O-OG1 3.34Å; K113-T115 VanDerWaalsContact C-N 3.3Å; K113-T115 PolarHBondContact O-N 3.46Å |
| 116 | S | 65.5 | Low | 59.8 | Low | 88 Ų | 88 | 109.4 Ų | 109.4 | 62% | 0.615 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -90.4 | -18.6 | -176.5 | -58.2 | 0 | 0 | 0 | 0 | 114.1 | L112 K113 P118 | L112-S116 VanDerWaalsContact O-CB 3.22Å; L112-S116 WeakPolarHBondContact O-CB 3.13Å; L112-S116 PolarHBondContact O-N 2.99Å; L112-S116 PolarHBondContact O-OG 2.96Å; K113-S116 PolarHBondContact O-N 3.27Å; K113-S116 VanDerWaalsContact O-N 3.13Å; S116-P118 WeakPolarHBondContact O-CD 3.31Å |
| 117 | T | 56.5 | Low | 57.9 | Low | 80 Ų | 80 | 116.8 Ų | 116.8 | 49% | 0.491 | 62% | 0.617 | S | S | . | * | trans | -104 | 94.5 | 177.6 | 59.8 | 0 | 0 | 0 | 0 | 111.5 | K113 S119 | K113-T117 HydrophobicContact CG-CG2 4.31Å; K113-T117 PolarHBondContact O-N 3.41Å; K113-T117 PolarHBondContact O-OG1 3.23Å; T117-S119 PolarHBondContact O-N 3.49Å | ||
| 118 | P | 48 | Very low | 55.7 | Low | 112 Ų | 112 | 122.2 Ų | 122.2 | 73% | 0.727 | 63% | 0.634 | S | S | * | * | trans | -68.4 | 103 | 161.3 | 27.9 | -29 | 0 | 0 | 0 | 108.6 | S116 I120 | S116-P118 WeakPolarHBondContact O-CD 3.31Å; P118-I120 PolarHBondContact O-N 2.96Å | ||
| 119 | S | 47.2 | Very low | 53.2 | Low | 108 Ų | 108 | 127.7 Ų | 127.7 | 76% | 0.755 | 66% | 0.66 | S | S | * | * | S | Bend | trans | 36.9 | 79.5 | 156.1 | 52.8 | 0 | 0 | 0 | 0 | 117.4 | T117 | T117-S119 PolarHBondContact O-N 3.49Š|
| 120 | I | 40.8 | Very low | 51 | Low | 167 Ų | 167 | 131.8 Ų | 131.8 | 86% | 0.856 | 69% | 0.686 | S | S | * | * | trans | -128.7 | 76.9 | 143.9 | -57.8 | 178 | 0 | 0 | 0 | 106.2 | P118 | P118-I120 PolarHBondContact O-N 2.96Š| ||
| 121 | S | 41 | Very low | 49.1 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 66% | 0.657 | 70% | 0.695 | S | S | * | * | trans | -67.1 | 168.7 | 154.1 | 48.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 122 | I | 35.7 | Very low | 47 | Very low | 144 Ų | 144 | 129.1 Ų | 129.1 | 74% | 0.738 | 69% | 0.689 | S | S | * | * | trans | 104.6 | 97.2 | 176.4 | -47.3 | -64.8 | 0 | 0 | 0 | 112.9 | ||||
| 123 | I | 34.4 | Very low | 45.5 | Very low | 143 Ų | 143 | 133.8 Ų | 133.8 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 96.5 | 85.9 | 154.4 | -51.9 | 152.6 | 0 | 0 | 0 | 117.2 | ||
| 124 | N | 37.4 | Very low | 44.2 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 78% | 0.775 | 71% | 0.705 | S | S | * | * | -176.7 | 80.2 | 109.1 | -100.8 | -2 | 0 | 0 | 0 | 108.5 | |||||
| 125 | E | 38.5 | Very low | 42.8 | Very low | 195 Ų | 195 | 128 Ų | 128 | 91% | 0.911 | 70% | 0.703 | S | S | * | * | trans | -100.6 | 87.6 | 166.2 | -178.7 | 73.7 | -154.3 | 0 | 0 | 105.9 | ||||
| 126 | S | 31.3 | Very low | 41.6 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 66% | 0.657 | 71% | 0.71 | S | S | * | * | trans | -172.9 | 72.8 | 163 | 61.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 127 | D | 36.7 | Very low | 41.2 | Very low | 172 Ų | 172 | 131.8 Ų | 131.8 | 92% | 0.92 | 70% | 0.699 | S | S | * | * | trans | -130.1 | 109.4 | 155 | -82.5 | -39.9 | 0 | 0 | 0 | 106.9 | M129 | D127-M129 PolarHBondContact O-N 2.99Š| ||
| 128 | E | 31.9 | Very low | 41.7 | Very low | 192 Ų | 192 | 128.6 Ų | 128.6 | 90% | 0.897 | 68% | 0.681 | S | S | * | * | trans | -63.6 | 121.2 | -176.9 | -71.7 | 171.9 | 137.6 | 0 | 0 | 110.9 | D130 | E128-D130 PolarHBondContact O-N 3.24Å; E128-D130 VanDerWaalsContact O-N 3.12Å | ||
| 129 | M | 29.4 | Very low | 43.1 | Very low | 171 Ų | 171 | 126 Ų | 126 | 84% | 0.842 | 66% | 0.664 | S | S | * | * | 37.5 | 64.1 | 128.6 | -151.9 | -179.4 | -54.2 | 0 | 0 | 117.5 | D127 | D127-M129 PolarHBondContact O-N 2.99Š| |||
| 130 | D | 31.7 | Very low | 44.7 | Very low | 137 Ų | 137 | 122.8 Ų | 122.8 | 73% | 0.733 | 64% | 0.638 | S | S | * | * | trans | -115.9 | 113 | 135.1 | -80.3 | -42.1 | 0 | 0 | 0 | 106 | E128 D132 | E128-D130 PolarHBondContact O-N 3.24Å; E128-D130 VanDerWaalsContact O-N 3.12Å; D130-D132 PolarHBondContact O-N 3.5Å | ||
| 131 | M | 34.5 | Very low | 46.9 | Very low | 155 Ų | 155 | 124.3 Ų | 124.3 | 76% | 0.764 | 64% | 0.635 | S | S | * | * | trans | -80.3 | 62.9 | 174.2 | -76.4 | -84 | -69.1 | 0 | 0 | 107.8 | E133 | M131-E133 PolarHBondContact O-N 3.18Š| ||
| 132 | D | 38.1 | Very low | 49 | Very low | 85 Ų | 85 | 122 Ų | 122 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | trans | -68.3 | 128.1 | 161.7 | 44.3 | -62.2 | 0 | 0 | 0 | 107.8 | D130 E134 S135 | D130-D132 PolarHBondContact O-N 3.5Å; D132-E134 HydrophobicContact CB-CB 4.13Å; D132-E134 PolarHBondContact O-N 3.39Å; D132-E134 WeakPolarHBondContact OD2-CB 3.33Å; D132-S135 PolarHBondContact O-N 2.9Å | ||
| 133 | E | 50.1 | Low | 51.4 | Low | 172 Ų | 172 | 116 Ų | 116 | 80% | 0.804 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.1 | -5.8 | 172.2 | -72.1 | -175.7 | 151 | 0 | 0 | 113.1 | M131 | M131-E133 PolarHBondContact O-N 3.18Š|
| 134 | E | 50.6 | Low | 54 | Low | 64 Ų | 64 | 111.5 Ų | 111.5 | 30% | 0.299 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.1 | -37.1 | 177.2 | -134.2 | 69.4 | -132.6 | 0 | 0 | 114.1 | D132 Y136 K137 I217 | D132-E134 HydrophobicContact CB-CB 4.13Å; D132-E134 PolarHBondContact O-N 3.39Å; D132-E134 WeakPolarHBondContact OD2-CB 3.33Å; E134-Y136 VanDerWaalsContact C-N 3.29Å; E134-Y136 PolarHBondContact O-N 2.86Å; E134-K137 HydrophobicContact CG-CD 4.45Å; E134-K137 WeakPolarHBondContact O-CB 3.41Å; E134-K137 WeakPolarHBondContact O-CG 3.34Å; E134-K137 PolarHBondContact O-N 3.06Å; E134-K137 IonicContact OE1-NZ 3.07Å; E134-K137 PolarHBondContact OE1-NZ 3.02Å; E134-K137 IonicContact OE2-NZ 3.79Å; E134-K137 PolarHBondContact OE2-NZ 2.87Å; E134-K137 VanDerWaalsContact OE2-NZ 3.07Å; E134-I217 WeakPolarHBondContact OE1-CG2 3.44Å |
| 135 | S | 46.7 | Very low | 56.5 | Low | 99 Ų | 99 | 106.6 Ų | 106.6 | 69% | 0.692 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -16.9 | -163.3 | -165.7 | 0 | 0 | 0 | 0 | 115.1 | D132 | D132-S135 PolarHBondContact O-N 2.9Š|
| 136 | Y | 48.6 | Very low | 58.9 | Low | 152 Ų | 152 | 98.4 Ų | 98.4 | 60% | 0.596 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 2.9 | 177.2 | -64.9 | -87.6 | 0 | 0 | 0 | 114.1 | S106 E134 A138 | S106-Y136 PolarHBondContact OG-O 3.08Å; E134-Y136 VanDerWaalsContact C-N 3.29Å; E134-Y136 PolarHBondContact O-N 2.86Å; Y136-A138 PolarHBondContact O-N 3.15Å |
| 137 | K | 57.3 | Low | 61.8 | Low | 87 Ų | 87 | 94.3 Ų | 94.3 | 38% | 0.378 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 119.1 | -175.5 | -68.3 | 171.2 | -179.5 | 153.4 | 0 | 110.5 | E134 | E134-K137 HydrophobicContact CG-CD 4.45Å; E134-K137 WeakPolarHBondContact O-CB 3.41Å; E134-K137 WeakPolarHBondContact O-CG 3.34Å; E134-K137 PolarHBondContact O-N 3.06Å; E134-K137 IonicContact OE1-NZ 3.07Å; E134-K137 PolarHBondContact OE1-NZ 3.02Å; E134-K137 IonicContact OE2-NZ 3.79Å; E134-K137 PolarHBondContact OE2-NZ 2.87Å; E134-K137 VanDerWaalsContact OE2-NZ 3.07Å |
| 138 | A | 66.1 | Low | 64.5 | Low | 13 Ų | 13 | 90.3 Ų | 90.3 | 11% | 0.107 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -52.9 | 146.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y109 Y136 L140 F142 L143 | Y109-A138 HydrophobicContact CG-CB 4.37Å; Y136-A138 PolarHBondContact O-N 3.15Å; A138-L140 PolarHBondContact O-N 3.24Å; A138-F142 HydrophobicContact CB-CD1 3.78Å; A138-F142 HydrophobicContact CB-CE1 4.45Å; A138-L143 HydrophobicContact CB-CG 4.5Å |
| 139 | P | 77.2 | Confident | 67.5 | Low | 58 Ų | 58 | 87 Ų | 87 | 38% | 0.377 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 136.6 | -178.6 | 19.8 | -30 | 0 | 0 | 0 | 110.3 | Y109 Y141 F142 L143 | Y109-P139 HydrophobicContact CE2-CG 4.02Å; P139-Y141 PolarHBondContact O-N 3.46Å; P139-F142 HydrophobicContact CG-CB 3.99Å; P139-F142 WeakPolarHBondContact O-CA 3.09Å; P139-F142 VanDerWaalsContact O-CB 3.23Å; P139-F142 WeakPolarHBondContact O-CB 2.94Å; P139-F142 PolarHBondContact O-N 3.11Å; P139-L143 PolarHBondContact O-N 2.96Å |
| 140 | L | 81.8 | Confident | 70.6 | Confident | 39 Ų | 39 | 80.3 Ų | 80.3 | 20% | 0.204 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -49.9 | -39.1 | -172.5 | -176.3 | 66.5 | 0 | 0 | 0 | 113.5 | A138 F142 L143 M144 M215 H218 | A138-L140 PolarHBondContact O-N 3.24Å; L140-F142 VanDerWaalsContact C-N 3.27Å; L140-F142 PolarHBondContact O-N 2.77Å; L140-L143 PolarHBondContact O-N 2.99Å; L140-M144 HydrophobicContact CD1-CE 4.04Å; L140-M144 HydrophobicContact CG-CE 4.5Å; L140-M144 WeakPolarHBondContact O-CG 3.37Å; L140-M144 PolarHBondContact O-N 3.47Å; L140-M215 HydrophobicContact CD1-CB 4.45Å; L140-M215 HydrophobicContact CD1-CG 3.7Å; L140-H218 HydrophobicContact CD2-CB 4.45Å |
| 141 | Y | 85.2 | Confident | 73.6 | Confident | 200 Ų | 200 | 73.8 Ų | 73.8 | 78% | 0.784 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.5 | -32.5 | 177.4 | -61.2 | -70.4 | 0 | 0 | 0 | 113.5 | P139 A145 | P139-Y141 PolarHBondContact O-N 3.46Å; Y141-A145 WeakPolarHBondContact O-CB 3.41Å; Y141-A145 PolarHBondContact O-N 3.13Å |
| 142 | F | 85.7 | Confident | 76.5 | Confident | 44 Ų | 44 | 67.6 Ų | 67.6 | 19% | 0.193 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.9 | -41.8 | 175.6 | -178.8 | -101.6 | 0 | 0 | 0 | 111.3 | Y109 L112 A138 P139 L140 A145 I146 | Y109-F142 HydrophobicContact CD2-CD1 4.11Å; Y109-F142 HydrophobicContact CD2-CD2 4.01Å; Y109-F142 HydrophobicContact CD2-CE1 4.13Å; Y109-F142 HydrophobicContact CD2-CE2 4.05Å; Y109-F142 HydrophobicContact CD2-CG 4.04Å; Y109-F142 HydrophobicContact CD2-CZ 4.1Å; Y109-F142 HydrophobicContact CG-CE1 4.32Å; L112-F142 HydrophobicContact CD1-CE2 4.15Å; L112-F142 HydrophobicContact CD1-CZ 4Å; A138-F142 HydrophobicContact CB-CD1 3.78Å; A138-F142 HydrophobicContact CB-CE1 4.45Å; P139-F142 HydrophobicContact CG-CB 3.99Å; P139-F142 WeakPolarHBondContact O-CA 3.09Å; P139-F142 VanDerWaalsContact O-CB 3.23Å; P139-F142 WeakPolarHBondContact O-CB 2.94Å; P139-F142 PolarHBondContact O-N 3.11Å; L140-F142 VanDerWaalsContact C-N 3.27Å; L140-F142 PolarHBondContact O-N 2.77Å; F142-A145 WeakPolarHBondContact O-CB 3.12Å; F142-A145 PolarHBondContact O-N 2.94Å; F142-I146 HydrophobicContact CD1-CD1 3.62Å; F142-I146 HydrophobicContact CE1-CD1 3.26Å; F142-I146 HydrophobicContact CE1-CG1 4.26Å; F142-I146 HydrophobicContact CG-CD1 4.45Å; F142-I146 HydrophobicContact CZ-CD1 3.82Å; F142-I146 HydrophobicContact CZ-CG1 4.45Å; F142-I146 WeakPolarHBondContact O-CG1 3.41Å; F142-I146 PolarHBondContact O-N 3.48Å |
| 143 | L | 86.5 | Confident | 79.2 | Confident | 20 Ų | 20 | 69.7 Ų | 69.7 | 11% | 0.105 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 174.9 | -66.4 | 173.6 | 0 | 0 | 0 | 111.9 | A138 P139 L140 A145 I146 L147 S214 | A138-L143 HydrophobicContact CB-CG 4.5Å; P139-L143 PolarHBondContact O-N 2.96Å; L140-L143 PolarHBondContact O-N 2.99Å; L143-A145 VanDerWaalsContact C-N 3.29Å; L143-A145 PolarHBondContact O-N 3.09Å; L143-I146 PolarHBondContact O-N 3.35Å; L143-L147 PolarHBondContact O-N 2.78Å; L143-S214 VanDerWaalsContact CD1-CB 3.43Å; L143-S214 VanDerWaalsContact CD1-OG 3.29Å; L143-S214 WeakPolarHBondContact CD1-OG 3.18Å |
| 144 | M | 87.8 | Confident | 81.3 | Confident | 48 Ų | 48 | 62 Ų | 62 | 24% | 0.236 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.1 | -43.2 | 172 | -68.5 | -56.9 | 110.4 | 0 | 0 | 111.5 | L140 L147 L148 C211 M215 | L140-M144 HydrophobicContact CD1-CE 4.04Å; L140-M144 HydrophobicContact CG-CE 4.5Å; L140-M144 WeakPolarHBondContact O-CG 3.37Å; L140-M144 PolarHBondContact O-N 3.47Å; M144-L147 PolarHBondContact O-N 3.01Å; M144-L148 VanDerWaalsContact O-CG 3.31Å; M144-L148 WeakPolarHBondContact O-CG 3.22Å; M144-L148 PolarHBondContact O-N 3.21Å; M144-C211 WeakPolarHBondContact CE-SG 3.44Å; M144-M215 HydrophobicContact CE-CE 3.89Å; M144-M215 HydrophobicContact CE-CG 3.48Å; M144-M215 VanDerWaalsContact CE-CG 3.48Å; M144-M215 HydrophobicContact CE-SD 3.47Å; M144-M215 WeakPolarHBondContact CE-SD 3.05Å; M144-M215 HydrophobicContact SD-SD 3.92Å |
| 145 | A | 90.6 | Very high | 83.4 | Confident | 42 Ų | 42 | 59 Ų | 59 | 35% | 0.347 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y141 F142 L143 L147 L148 L149 | Y141-A145 WeakPolarHBondContact O-CB 3.41Å; Y141-A145 PolarHBondContact O-N 3.13Å; F142-A145 WeakPolarHBondContact O-CB 3.12Å; F142-A145 PolarHBondContact O-N 2.94Å; L143-A145 VanDerWaalsContact C-N 3.29Å; L143-A145 PolarHBondContact O-N 3.09Å; A145-L147 PolarHBondContact O-N 3Å; A145-L148 PolarHBondContact O-N 3.49Å; A145-L149 WeakPolarHBondContact O-CB 3.45Å; A145-L149 WeakPolarHBondContact O-CG 3.36Å; A145-L149 PolarHBondContact O-N 3.47Å |
| 146 | I | 89.5 | Confident | 85.7 | Confident | 22 Ų | 22 | 58.3 Ų | 58.3 | 11% | 0.113 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 175 | -70.4 | 163.2 | 0 | 0 | 0 | 111.1 | F105 F142 L143 L148 L149 F150 I207 | F105-I146 HydrophobicContact CB-CD1 4.29Å; F105-I146 HydrophobicContact CD1-CD1 3.62Å; F105-I146 HydrophobicContact CD1-CG1 4.47Å; F105-I146 HydrophobicContact CD1-CG2 4.25Å; F105-I146 HydrophobicContact CE1-CD1 4.1Å; F105-I146 HydrophobicContact CE1-CG2 3.66Å; F105-I146 HydrophobicContact CE2-CG2 4.22Å; F105-I146 HydrophobicContact CG-CD1 4.01Å; F105-I146 HydrophobicContact CZ-CG2 3.65Å; F142-I146 HydrophobicContact CD1-CD1 3.62Å; F142-I146 HydrophobicContact CE1-CD1 3.26Å; F142-I146 HydrophobicContact CE1-CG1 4.26Å; F142-I146 HydrophobicContact CG-CD1 4.45Å; F142-I146 HydrophobicContact CZ-CD1 3.82Å; F142-I146 HydrophobicContact CZ-CG1 4.45Å; F142-I146 WeakPolarHBondContact O-CG1 3.41Å; F142-I146 PolarHBondContact O-N 3.48Å; L143-I146 PolarHBondContact O-N 3.35Å; I146-L148 PolarHBondContact O-N 3Å; I146-L149 PolarHBondContact O-N 3.13Å; I146-F150 WeakPolarHBondContact O-CB 3.49Å; I146-F150 PolarHBondContact O-N 2.83Å; I146-I207 HydrophobicContact CG2-CG2 4.42Å |
| 147 | L | 91.3 | Very high | 87.7 | Confident | 9 Ų | 9 | 53.9 Ų | 53.9 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.8 | -49.4 | 176.6 | -176.9 | 82.3 | 0 | 0 | 0 | 110.6 | L143 M144 A145 L149 F150 V151 M178 I207 A208 C211 | L143-L147 PolarHBondContact O-N 2.78Å; M144-L147 PolarHBondContact O-N 3.01Å; A145-L147 PolarHBondContact O-N 3Å; L147-L149 PolarHBondContact O-N 2.91Å; L147-F150 PolarHBondContact O-N 3.25Å; L147-V151 HydrophobicContact CG-CG2 4.47Å; L147-V151 WeakPolarHBondContact O-CB 3.37Å; L147-V151 VanDerWaalsContact O-CG2 3.25Å; L147-V151 WeakPolarHBondContact O-CG2 3.23Å; L147-V151 PolarHBondContact O-N 3.25Å; L147-M178 HydrophobicContact CD2-SD 3.92Å; L147-I207 HydrophobicContact CD1-CG2 3.99Å; L147-A208 HydrophobicContact CD1-CB 4.15Å; L147-C211 HydrophobicContact CD1-CB 4.38Å |
| 148 | L | 94.5 | Very high | 89.3 | Confident | 88 Ų | 88 | 50 Ų | 50 | 46% | 0.461 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65 | -38.8 | -178.9 | -69.5 | 174.9 | 0 | 0 | 0 | 112.4 | M144 A145 I146 A152 F170 | M144-L148 VanDerWaalsContact O-CG 3.31Å; M144-L148 WeakPolarHBondContact O-CG 3.22Å; M144-L148 PolarHBondContact O-N 3.21Å; A145-L148 PolarHBondContact O-N 3.49Å; I146-L148 PolarHBondContact O-N 3Å; L148-A152 WeakPolarHBondContact O-CB 3.45Å; L148-A152 PolarHBondContact O-N 3.43Å; L148-F170 HydrophobicContact CD2-CZ 4.07Å |
| 149 | L | 94.5 | Very high | 90.5 | Very high | 123 Ų | 123 | 53 Ų | 53 | 64% | 0.644 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -66.8 | -41.7 | 175.8 | -73.1 | 172.9 | 0 | 0 | 0 | 111.6 | A145 I146 L147 A152 F153 | A145-L149 WeakPolarHBondContact O-CB 3.45Å; A145-L149 WeakPolarHBondContact O-CG 3.36Å; A145-L149 PolarHBondContact O-N 3.47Å; I146-L149 PolarHBondContact O-N 3.13Å; L147-L149 PolarHBondContact O-N 2.91Å; L149-A152 PolarHBondContact O-N 3.48Å; L149-F153 VanDerWaalsContact O-CB 3.29Å; L149-F153 WeakPolarHBondContact O-CB 3.17Å; L149-F153 PolarHBondContact O-N 2.69Å |
| 150 | F | 93.3 | Very high | 91 | Very high | 29 Ų | 29 | 58.1 Ų | 58.1 | 13% | 0.127 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62 | -49.2 | 174.5 | 172.7 | -98.7 | 0 | 0 | 0 | 111.2 | I146 L147 A152 F153 C154 F200 L203 I207 | I146-F150 WeakPolarHBondContact O-CB 3.49Å; I146-F150 PolarHBondContact O-N 2.83Å; L147-F150 PolarHBondContact O-N 3.25Å; F150-A152 VanDerWaalsContact C-N 3.33Å; F150-A152 PolarHBondContact O-N 3.38Å; F150-F153 PolarHBondContact O-N 2.86Å; F150-C154 VanDerWaalsContact CZ-SG 3.59Å; F150-C154 PolarHBondContact O-N 2.79Å; F150-C154 PolarHBondContact O-SG 2.97Å; F150-C154 VanDerWaalsContact O-SG 3.35Å; F150-F200 HydrophobicContact CE1-CD2 4.16Å; F150-F200 AromaticContact CE1-CE2 3.86Å; F150-F200 HydrophobicContact CE1-CE2 3.86Å; F150-F200 HydrophobicContact CZ-CD2 4.07Å; F150-F200 HydrophobicContact CZ-CE2 4.25Å; F150-L203 HydrophobicContact CE2-CB 4.03Å; F150-L203 HydrophobicContact CE2-CD2 4.38Å; F150-L203 HydrophobicContact CZ-CB 3.81Å; F150-I207 HydrophobicContact CB-CD1 4.15Å; F150-I207 HydrophobicContact CD1-CD1 3.95Å; F150-I207 HydrophobicContact CD2-CD1 3.4Å; F150-I207 VanDerWaalsContact CD2-CD1 3.4Å; F150-I207 HydrophobicContact CE1-CD1 4.22Å; F150-I207 HydrophobicContact CE2-CD1 3.69Å; F150-I207 HydrophobicContact CG-CD1 3.54Å; F150-I207 HydrophobicContact CZ-CD1 4.09Å |
| 151 | V | 95.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 176.8 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | L147 C154 A155 F170 C173 L174 A177 | L147-V151 HydrophobicContact CG-CG2 4.47Å; L147-V151 WeakPolarHBondContact O-CB 3.37Å; L147-V151 VanDerWaalsContact O-CG2 3.25Å; L147-V151 WeakPolarHBondContact O-CG2 3.23Å; L147-V151 PolarHBondContact O-N 3.25Å; V151-C154 PolarHBondContact O-N 3.39Å; V151-A155 VanDerWaalsContact O-CB 3.24Å; V151-A155 WeakPolarHBondContact O-CB 3.5Å; V151-A155 PolarHBondContact O-N 2.89Å; V151-F170 HydrophobicContact CB-CE2 4.16Å; V151-F170 HydrophobicContact CG1-CD2 3.68Å; V151-F170 HydrophobicContact CG1-CE1 4.48Å; V151-F170 HydrophobicContact CG1-CE2 3.49Å; V151-F170 VanDerWaalsContact CG1-CE2 3.49Å; V151-F170 HydrophobicContact CG1-CG 4.25Å; V151-F170 HydrophobicContact CG1-CZ 3.93Å; V151-C173 HydrophobicContact CG1-CB 3.75Å; V151-L174 HydrophobicContact CG1-CB 3.96Å; V151-L174 HydrophobicContact CG1-CD1 4.49Å; V151-L174 HydrophobicContact CG2-CD1 4.28Å; V151-A177 HydrophobicContact CG2-CB 4.37Å |
| 152 | A | 95.9 | Very high | 91.2 | Very high | 26 Ų | 26 | 49.2 Ų | 49.2 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L148 L149 F150 A155 L156 F166 F170 | L148-A152 WeakPolarHBondContact O-CB 3.45Å; L148-A152 PolarHBondContact O-N 3.43Å; L149-A152 PolarHBondContact O-N 3.48Å; F150-A152 VanDerWaalsContact C-N 3.33Å; F150-A152 PolarHBondContact O-N 3.38Å; A152-A155 WeakPolarHBondContact O-CB 3.44Å; A152-A155 PolarHBondContact O-N 3.48Å; A152-L156 WeakPolarHBondContact O-CG 3.24Å; A152-L156 PolarHBondContact O-N 3.37Å; A152-F166 HydrophobicContact CB-CZ 4.49Å; A152-F170 HydrophobicContact CB-CD2 4.49Å; A152-F170 HydrophobicContact CB-CE2 4.3Å |
| 153 | F | 94.9 | Very high | 91.1 | Very high | 128 Ų | 128 | 52.7 Ų | 52.7 | 56% | 0.561 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.7 | -46.3 | 176.3 | 178.8 | -103.6 | 0 | 0 | 0 | 111.6 | L149 F150 A155 L156 I157 | L149-F153 VanDerWaalsContact O-CB 3.29Å; L149-F153 WeakPolarHBondContact O-CB 3.17Å; L149-F153 PolarHBondContact O-N 2.69Å; F150-F153 PolarHBondContact O-N 2.86Å; F153-A155 VanDerWaalsContact C-N 3.34Å; F153-A155 PolarHBondContact O-N 3.33Å; F153-L156 WeakPolarHBondContact O-CB 3.49Å; F153-L156 PolarHBondContact O-N 2.86Å; F153-I157 HydrophobicContact CD1-CD1 4.08Å; F153-I157 HydrophobicContact CE1-CD1 3.61Å; F153-I157 HydrophobicContact CZ-CD1 4.01Å; F153-I157 PolarHBondContact O-N 2.93Å |
| 154 | C | 93.2 | Very high | 91.1 | Very high | 11 Ų | 11 | 54 Ų | 54 | 7% | 0.074 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.3 | -39.1 | 175.2 | -66.7 | 0 | 0 | 0 | 0 | 111.9 | F150 V151 L156 I157 F158 F200 | F150-C154 VanDerWaalsContact CZ-SG 3.59Å; F150-C154 PolarHBondContact O-N 2.79Å; F150-C154 PolarHBondContact O-SG 2.97Å; F150-C154 VanDerWaalsContact O-SG 3.35Å; V151-C154 PolarHBondContact O-N 3.39Å; C154-L156 VanDerWaalsContact C-N 3.28Å; C154-L156 PolarHBondContact O-N 3.39Å; C154-I157 WeakPolarHBondContact O-CB 3.44Å; C154-I157 PolarHBondContact O-N 3.49Å; C154-F158 VanDerWaalsContact O-CD2 3.3Å; C154-F158 WeakPolarHBondContact O-CD2 3.4Å; C154-F158 PolarHBondContact O-N 3.27Å; C154-F200 HydrophobicContact CB-CD2 3.78Å; C154-F200 HydrophobicContact CB-CE2 3.81Å; C154-F200 VanDerWaalsContact SG-CD2 3.56Å |
| 155 | A | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60 | -37.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V151 A152 F153 I157 F158 Q159 F166 S169 F170 | V151-A155 VanDerWaalsContact O-CB 3.24Å; V151-A155 WeakPolarHBondContact O-CB 3.5Å; V151-A155 PolarHBondContact O-N 2.89Å; A152-A155 WeakPolarHBondContact O-CB 3.44Å; A152-A155 PolarHBondContact O-N 3.48Å; F153-A155 VanDerWaalsContact C-N 3.34Å; F153-A155 PolarHBondContact O-N 3.33Å; A155-I157 VanDerWaalsContact C-N 3.33Å; A155-I157 PolarHBondContact O-N 3.16Å; A155-F158 PolarHBondContact O-N 3.48Å; A155-Q159 VanDerWaalsContact O-CB 3.26Å; A155-Q159 WeakPolarHBondContact O-CB 3.05Å; A155-Q159 PolarHBondContact O-N 3.25Å; A155-F166 HydrophobicContact CB-CD2 4.22Å; A155-F166 HydrophobicContact CB-CE2 3.78Å; A155-F166 HydrophobicContact CB-CZ 4.4Å; A155-S169 WeakPolarHBondContact O-CB 3.25Å; A155-F170 HydrophobicContact CB-CB 3.99Å; A155-F170 HydrophobicContact CB-CD2 4.33Å |
| 156 | L | 94.7 | Very high | 91.6 | Very high | 86 Ų | 86 | 57.3 Ų | 57.3 | 45% | 0.45 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.9 | -37.3 | 173.2 | -68 | 172.4 | 0 | 0 | 0 | 112.2 | A152 F153 C154 Q160 F166 | A152-L156 WeakPolarHBondContact O-CG 3.24Å; A152-L156 PolarHBondContact O-N 3.37Å; F153-L156 WeakPolarHBondContact O-CB 3.49Å; F153-L156 PolarHBondContact O-N 2.86Å; C154-L156 VanDerWaalsContact C-N 3.28Å; C154-L156 PolarHBondContact O-N 3.39Å; L156-Q160 WeakPolarHBondContact O-CG 3.47Å; L156-Q160 PolarHBondContact O-N 3.36Å; L156-F166 HydrophobicContact CD2-CD2 3.95Å; L156-F166 HydrophobicContact CD2-CE2 3.84Å; L156-F166 HydrophobicContact CG-CE2 4.07Å |
| 157 | I | 92.1 | Very high | 91.9 | Very high | 58 Ų | 58 | 59.5 Ų | 59.5 | 30% | 0.297 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.2 | -45.2 | 176.7 | -62.9 | 171 | 0 | 0 | 0 | 110.7 | F153 C154 A155 Q160 T161 L196 | F153-I157 HydrophobicContact CD1-CD1 4.08Å; F153-I157 HydrophobicContact CE1-CD1 3.61Å; F153-I157 HydrophobicContact CZ-CD1 4.01Å; F153-I157 PolarHBondContact O-N 2.93Å; C154-I157 WeakPolarHBondContact O-CB 3.44Å; C154-I157 PolarHBondContact O-N 3.49Å; A155-I157 VanDerWaalsContact C-N 3.33Å; A155-I157 PolarHBondContact O-N 3.16Å; I157-Q160 PolarHBondContact O-N 3.14Å; I157-T161 PolarHBondContact O-N 3.46Å; I157-T161 PolarHBondContact O-OG1 3.49Å; I157-L196 HydrophobicContact CG2-CD1 4.24Å |
| 158 | F | 90.4 | Very high | 92.1 | Very high | 6 Ų | 6 | 62.6 Ų | 62.6 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.4 | -34.1 | 178.3 | -81.7 | -71.8 | 0 | 0 | 0 | 112.5 | C154 A155 Q160 T161 D162 Y172 C173 P187 F200 | C154-F158 VanDerWaalsContact O-CD2 3.3Å; C154-F158 WeakPolarHBondContact O-CD2 3.4Å; C154-F158 PolarHBondContact O-N 3.27Å; A155-F158 PolarHBondContact O-N 3.48Å; F158-Q160 PolarHBondContact O-N 3.13Å; F158-T161 PolarHBondContact O-N 3.05Å; F158-D162 VanDerWaalsContact CD1-OD2 3.3Å; F158-D162 WeakPolarHBondContact CD1-OD2 3.4Å; F158-D162 PolarHBondContact O-N 3.01Å; F158-Y172 HydrophobicContact CD1-CE1 4.28Å; F158-Y172 HydrophobicContact CD2-CD1 4.44Å; F158-Y172 HydrophobicContact CD2-CE1 4.38Å; F158-Y172 AromaticContact CE1-CE1 3.93Å; F158-Y172 HydrophobicContact CE1-CE1 3.93Å; F158-Y172 HydrophobicContact CE2-CD1 4.49Å; F158-Y172 HydrophobicContact CE2-CE1 4.02Å; F158-Y172 HydrophobicContact CG-CD1 4.49Å; F158-Y172 AromaticContact CZ-CE1 3.79Å; F158-Y172 HydrophobicContact CZ-CE1 3.79Å; F158-C173 WeakPolarHBondContact CD2-SG 3.29Å; F158-P187 HydrophobicContact CE1-CB 4.2Å; F158-F200 HydrophobicContact CE2-CB 4.18Å; F158-F200 AromaticContact CE2-CD1 3.83Å; F158-F200 HydrophobicContact CE2-CD1 3.83Å; F158-F200 HydrophobicContact CE2-CD2 4.34Å; F158-F200 HydrophobicContact CE2-CE1 4.36Å; F158-F200 AromaticContact CE2-CG 3.82Å; F158-F200 HydrophobicContact CE2-CG 3.82Å; F158-F200 HydrophobicContact CZ-CB 4.34Å; F158-F200 HydrophobicContact CZ-CD1 4.06Å; F158-F200 HydrophobicContact CZ-CG 4.27Å |
| 159 | Q | 90.6 | Very high | 92.1 | Very high | 75 Ų | 75 | 58.4 Ų | 58.4 | 35% | 0.35 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.7 | -37.1 | 172.1 | 174.5 | 175 | 19.3 | 0 | 0 | 111.8 | A155 T163 W164 S169 | A155-Q159 VanDerWaalsContact O-CB 3.26Å; A155-Q159 WeakPolarHBondContact O-CB 3.05Å; A155-Q159 PolarHBondContact O-N 3.25Å; Q159-T163 WeakPolarHBondContact O-CA 3.38Å; Q159-T163 PolarHBondContact O-N 2.95Å; Q159-W164 WeakPolarHBondContact CG-O 3.21Å; Q159-S169 PolarHBondContact N-OG 3.31Å |
| 160 | Q | 88.1 | Confident | 92.1 | Very high | 166 Ų | 166 | 55.1 Ų | 55.1 | 78% | 0.776 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -78.4 | -35.8 | 177.8 | -69.8 | -176.7 | -8.5 | 0 | 0 | 112.7 | L156 I157 F158 | L156-Q160 WeakPolarHBondContact O-CG 3.47Å; L156-Q160 PolarHBondContact O-N 3.36Å; I157-Q160 PolarHBondContact O-N 3.14Å; F158-Q160 PolarHBondContact O-N 3.13Å |
| 161 | T | 86.7 | Confident | 92.2 | Very high | 51 Ų | 51 | 57.4 Ų | 57.4 | 31% | 0.313 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -80.1 | -52.3 | -175.5 | -49.4 | 0 | 0 | 0 | 0 | 112.1 | I157 F158 L196 | I157-T161 PolarHBondContact O-N 3.46Å; I157-T161 PolarHBondContact O-OG1 3.49Å; F158-T161 PolarHBondContact O-N 3.05Å; T161-L196 HydrophobicContact CG2-CD1 4.47Å |
| 162 | D | 84.8 | Confident | 92.1 | Very high | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.011 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -101.2 | 3 | -173.4 | -67.2 | -79.6 | 0 | 0 | 0 | 113 | F158 W164 P187 E188 | F158-D162 VanDerWaalsContact CD1-OD2 3.3Å; F158-D162 WeakPolarHBondContact CD1-OD2 3.4Å; F158-D162 PolarHBondContact O-N 3.01Å; D162-W164 HydrophobicContact CB-CD2 4.05Å; D162-W164 HydrophobicContact CB-CG 4.35Å; D162-W164 HydrophobicContact CB-CZ2 4.17Å; D162-W164 VanDerWaalsContact O-CD1 3.22Å; D162-W164 PolarHBondContact O-N 3.38Å; D162-P187 WeakPolarHBondContact OD1-CA 3.36Å; D162-E188 WeakPolarHBondContact OD1-CB 3.49Å; D162-E188 PolarHBondContact OD1-N 3.38Å |
| 163 | T | 82.7 | Confident | 92 | Very high | 117 Ų | 117 | 57.2 Ų | 57.2 | 72% | 0.718 | 30% | 0.295 | S | S | * | . | trans | 59 | 16.4 | 176.5 | 67.5 | 0 | 0 | 0 | 0 | 116.2 | Q159 | Q159-T163 WeakPolarHBondContact O-CA 3.38Å; Q159-T163 PolarHBondContact O-N 2.95Å | ||
| 164 | W | 87.8 | Confident | 92 | Very high | 47 Ų | 47 | 53.6 Ų | 53.6 | 18% | 0.178 | 28% | 0.282 | C | S | . | . | trans | -70.4 | 152 | 175 | -61.3 | -15.7 | 0 | 0 | 0 | 112 | Q159 D162 D168 Y172 L185 V186 | Q159-W164 WeakPolarHBondContact CG-O 3.21Å; D162-W164 HydrophobicContact CB-CD2 4.05Å; D162-W164 HydrophobicContact CB-CG 4.35Å; D162-W164 HydrophobicContact CB-CZ2 4.17Å; D162-W164 VanDerWaalsContact O-CD1 3.22Å; D162-W164 PolarHBondContact O-N 3.38Å; W164-D168 HydrophobicContact CB-CB 4.32Å; W164-Y172 HydrophobicContact CZ3-CD1 4.02Å; W164-Y172 HydrophobicContact CZ3-CD2 4.26Å; W164-Y172 AromaticContact CZ3-CG 3.8Å; W164-Y172 HydrophobicContact CZ3-CG 3.8Å; W164-L185 HydrophobicContact CD2-CD2 4.46Å; W164-L185 HydrophobicContact CE3-CD2 4.12Å; W164-L185 HydrophobicContact CH2-CB 4.13Å; W164-L185 HydrophobicContact CZ3-CB 4.22Å; W164-L185 HydrophobicContact CZ3-CD2 4.28Å; W164-V186 VanDerWaalsContact CH2-C 3.49Å; W164-V186 VanDerWaalsContact CZ2-O 3.27Å; W164-V186 WeakPolarHBondContact CZ2-O 3.4Å | ||
| 165 | P | 93.6 | Very high | 92.1 | Very high | 77 Ų | 77 | 53.7 Ų | 53.7 | 50% | 0.5 | 28% | 0.282 | S | S | . | . | trans | -62.3 | 147.1 | 169.4 | 28.2 | -33.6 | 0 | 0 | 0 | 110 | A167 D168 S169 | P165-A167 PolarHBondContact O-N 2.83Å; P165-D168 HydrophobicContact CG-CB 3.92Å; P165-D168 VanDerWaalsContact CG-OD2 3.23Å; P165-D168 WeakPolarHBondContact CG-OD2 3.13Å; P165-D168 PolarHBondContact O-N 3.43Å; P165-S169 PolarHBondContact O-N 3.35Å; P165-S169 VanDerWaalsContact O-N 3.13Å; P165-S169 PolarHBondContact O-OG 2.95Å | ||
| 166 | F | 94.4 | Very high | 92 | Very high | 82 Ų | 82 | 55.2 Ų | 55.2 | 36% | 0.36 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -51.6 | -36.1 | -175.5 | 178.6 | -100.3 | 0 | 0 | 0 | 114 | A152 A155 L156 D168 S169 F170 | A152-F166 HydrophobicContact CB-CZ 4.49Å; A155-F166 HydrophobicContact CB-CD2 4.22Å; A155-F166 HydrophobicContact CB-CE2 3.78Å; A155-F166 HydrophobicContact CB-CZ 4.4Å; L156-F166 HydrophobicContact CD2-CD2 3.95Å; L156-F166 HydrophobicContact CD2-CE2 3.84Å; L156-F166 HydrophobicContact CG-CE2 4.07Å; F166-D168 VanDerWaalsContact C-N 3.35Å; F166-D168 PolarHBondContact O-N 2.8Å; F166-S169 PolarHBondContact O-N 2.88Å; F166-F170 HydrophobicContact CE1-CB 4.45Å; F166-F170 HydrophobicContact CZ-CD2 4.27Å; F166-F170 WeakPolarHBondContact O-CB 3.25Å; F166-F170 PolarHBondContact O-N 2.95Å |
| 167 | A | 95.8 | Very high | 91.9 | Very high | 68 Ų | 68 | 51.2 Ų | 51.2 | 56% | 0.562 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -62.2 | -40.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P165 Y171 | P165-A167 PolarHBondContact O-N 2.83Å; A167-Y171 VanDerWaalsContact O-CB 3.31Å; A167-Y171 WeakPolarHBondContact O-CB 3.21Å; A167-Y171 PolarHBondContact O-N 3.31Å |
| 168 | D | 95.5 | Very high | 91.9 | Very high | 74 Ų | 74 | 50.8 Ų | 50.8 | 40% | 0.396 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -74.7 | -41.3 | -179.7 | -72.5 | -3.1 | 0 | 0 | 0 | 110.7 | W164 P165 F166 F170 Y171 Y172 L185 | W164-D168 HydrophobicContact CB-CB 4.32Å; P165-D168 HydrophobicContact CG-CB 3.92Å; P165-D168 VanDerWaalsContact CG-OD2 3.23Å; P165-D168 WeakPolarHBondContact CG-OD2 3.13Å; P165-D168 PolarHBondContact O-N 3.43Å; F166-D168 VanDerWaalsContact C-N 3.35Å; F166-D168 PolarHBondContact O-N 2.8Å; D168-F170 VanDerWaalsContact C-N 3.34Å; D168-F170 PolarHBondContact O-N 3.42Å; D168-Y171 PolarHBondContact O-N 2.83Å; D168-Y172 WeakPolarHBondContact O-CB 3.32Å; D168-Y172 PolarHBondContact O-N 3.34Å; D168-L185 HydrophobicContact CB-CD2 3.73Å |
| 169 | S | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.6 | -42 | 172.5 | -52.6 | 0 | 0 | 0 | 0 | 112 | A155 Q159 P165 F166 Y172 C173 | A155-S169 WeakPolarHBondContact O-CB 3.25Å; Q159-S169 PolarHBondContact N-OG 3.31Å; P165-S169 PolarHBondContact O-N 3.35Å; P165-S169 VanDerWaalsContact O-N 3.13Å; P165-S169 PolarHBondContact O-OG 2.95Å; F166-S169 PolarHBondContact O-N 2.88Å; S169-Y172 PolarHBondContact O-N 2.84Å; S169-C173 WeakPolarHBondContact O-CB 3.45Å; S169-C173 PolarHBondContact O-N 3.42Å; S169-C173 PolarHBondContact O-SG 3.19Å |
| 170 | F | 95.6 | Very high | 92 | Very high | 55 Ų | 55 | 56.3 Ų | 56.3 | 24% | 0.241 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 176.6 | -176 | -89.9 | 0 | 0 | 0 | 111.5 | L148 V151 A152 A155 F166 D168 C173 L174 | L148-F170 HydrophobicContact CD2-CZ 4.07Å; V151-F170 HydrophobicContact CB-CE2 4.16Å; V151-F170 HydrophobicContact CG1-CD2 3.68Å; V151-F170 HydrophobicContact CG1-CE1 4.48Å; V151-F170 HydrophobicContact CG1-CE2 3.49Å; V151-F170 VanDerWaalsContact CG1-CE2 3.49Å; V151-F170 HydrophobicContact CG1-CG 4.25Å; V151-F170 HydrophobicContact CG1-CZ 3.93Å; A152-F170 HydrophobicContact CB-CD2 4.49Å; A152-F170 HydrophobicContact CB-CE2 4.3Å; A155-F170 HydrophobicContact CB-CB 3.99Å; A155-F170 HydrophobicContact CB-CD2 4.33Å; F166-F170 HydrophobicContact CE1-CB 4.45Å; F166-F170 HydrophobicContact CZ-CD2 4.27Å; F166-F170 WeakPolarHBondContact O-CB 3.25Å; F166-F170 PolarHBondContact O-N 2.95Å; D168-F170 VanDerWaalsContact C-N 3.34Å; D168-F170 PolarHBondContact O-N 3.42Å; F170-C173 PolarHBondContact O-N 3.45Å; F170-L174 HydrophobicContact CE1-CD2 4.05Å; F170-L174 VanDerWaalsContact O-CB 3.29Å; F170-L174 WeakPolarHBondContact O-CB 3.37Å; F170-L174 PolarHBondContact O-N 3.23Å |
| 171 | Y | 95.3 | Very high | 92.1 | Very high | 77 Ų | 77 | 50.8 Ų | 50.8 | 30% | 0.302 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.9 | -49 | 174.2 | 166.8 | -98.6 | 0 | 0 | 0 | 111.7 | A167 D168 C173 L174 V175 L182 D184 L185 | A167-Y171 VanDerWaalsContact O-CB 3.31Å; A167-Y171 WeakPolarHBondContact O-CB 3.21Å; A167-Y171 PolarHBondContact O-N 3.31Å; D168-Y171 PolarHBondContact O-N 2.83Å; Y171-C173 PolarHBondContact O-N 2.77Å; Y171-L174 PolarHBondContact O-N 2.93Å; Y171-V175 HydrophobicContact CD2-CG2 3.89Å; Y171-V175 HydrophobicContact CE2-CG2 3.65Å; Y171-V175 WeakPolarHBondContact O-CB 3.42Å; Y171-V175 WeakPolarHBondContact O-CG2 3.3Å; Y171-V175 PolarHBondContact O-N 2.82Å; Y171-L182 HydrophobicContact CE2-CD1 4.29Å; Y171-L182 WeakPolarHBondContact OH-CD1 3.32Å; Y171-D184 WeakPolarHBondContact CE1-OD1 3.13Å; Y171-D184 WeakPolarHBondContact CE1-OD2 3.28Å; Y171-D184 VanDerWaalsContact CZ-OD2 3.3Å; Y171-D184 PolarHBondContact OH-OD1 3.48Å; Y171-D184 PolarHBondContact OH-OD2 2.88Å; Y171-L185 HydrophobicContact CD1-CD1 4.31Å; Y171-L185 HydrophobicContact CD1-CD2 4.41Å; Y171-L185 HydrophobicContact CE1-CD1 4.06Å |
| 172 | Y | 93.2 | Very high | 92.3 | Very high | 21 Ų | 21 | 53.5 Ų | 53.5 | 8% | 0.082 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57 | -49.2 | 176.2 | 169.8 | -102.7 | 0 | 0 | 0 | 111.6 | F158 W164 D168 S169 L174 T176 L185 P187 F200 | F158-Y172 HydrophobicContact CD1-CE1 4.28Å; F158-Y172 HydrophobicContact CD2-CD1 4.44Å; F158-Y172 HydrophobicContact CD2-CE1 4.38Å; F158-Y172 AromaticContact CE1-CE1 3.93Å; F158-Y172 HydrophobicContact CE1-CE1 3.93Å; F158-Y172 HydrophobicContact CE2-CD1 4.49Å; F158-Y172 HydrophobicContact CE2-CE1 4.02Å; F158-Y172 HydrophobicContact CG-CD1 4.49Å; F158-Y172 AromaticContact CZ-CE1 3.79Å; F158-Y172 HydrophobicContact CZ-CE1 3.79Å; W164-Y172 HydrophobicContact CZ3-CD1 4.02Å; W164-Y172 HydrophobicContact CZ3-CD2 4.26Å; W164-Y172 AromaticContact CZ3-CG 3.8Å; W164-Y172 HydrophobicContact CZ3-CG 3.8Å; D168-Y172 WeakPolarHBondContact O-CB 3.32Å; D168-Y172 PolarHBondContact O-N 3.34Å; S169-Y172 PolarHBondContact O-N 2.84Å; Y172-L174 PolarHBondContact O-N 3.37Å; Y172-T176 WeakPolarHBondContact O-CB 3.39Å; Y172-T176 PolarHBondContact O-N 3.44Å; Y172-T176 PolarHBondContact O-OG1 2.89Å; Y172-L185 HydrophobicContact CD2-CB 4.15Å; Y172-L185 WeakPolarHBondContact CD2-O 3.26Å; Y172-L185 WeakPolarHBondContact CE2-O 3.45Å; Y172-P187 WeakPolarHBondContact OH-CD 3.37Å; Y172-F200 HydrophobicContact CE1-CE1 4.32Å |
| 173 | C | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.7 | -43.5 | -179.8 | -68.1 | 0 | 0 | 0 | 0 | 111.8 | V151 F158 S169 F170 Y171 A177 F200 | V151-C173 HydrophobicContact CG1-CB 3.75Å; F158-C173 WeakPolarHBondContact CD2-SG 3.29Å; S169-C173 WeakPolarHBondContact O-CB 3.45Å; S169-C173 PolarHBondContact O-N 3.42Å; S169-C173 PolarHBondContact O-SG 3.19Å; F170-C173 PolarHBondContact O-N 3.45Å; Y171-C173 PolarHBondContact O-N 2.77Å; C173-A177 WeakPolarHBondContact O-CB 3.49Å; C173-A177 PolarHBondContact O-N 2.9Å; C173-F200 HydrophobicContact CB-CE2 4.16Å; C173-F200 HydrophobicContact CB-CZ 3.82Å; C173-F200 WeakPolarHBondContact O-CZ 3.45Å |
| 174 | L | 95 | Very high | 92.8 | Very high | 53 Ų | 53 | 55 Ų | 55 | 28% | 0.277 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.4 | -48.8 | -178.7 | -175.5 | 63.2 | 0 | 0 | 0 | 111.8 | V151 F170 Y171 Y172 T176 A177 M178 | V151-L174 HydrophobicContact CG1-CB 3.96Å; V151-L174 HydrophobicContact CG1-CD1 4.49Å; V151-L174 HydrophobicContact CG2-CD1 4.28Å; F170-L174 HydrophobicContact CE1-CD2 4.05Å; F170-L174 VanDerWaalsContact O-CB 3.29Å; F170-L174 WeakPolarHBondContact O-CB 3.37Å; F170-L174 PolarHBondContact O-N 3.23Å; Y171-L174 PolarHBondContact O-N 2.93Å; Y172-L174 PolarHBondContact O-N 3.37Å; L174-T176 VanDerWaalsContact C-N 3.29Å; L174-T176 PolarHBondContact O-N 3.44Å; L174-A177 PolarHBondContact O-N 2.96Å; L174-M178 HydrophobicContact CD1-CG 4.03Å; L174-M178 HydrophobicContact CG-CG 4.45Å; L174-M178 VanDerWaalsContact O-CB 3.23Å; L174-M178 WeakPolarHBondContact O-CB 3.47Å; L174-M178 VanDerWaalsContact O-CG 3.23Å; L174-M178 WeakPolarHBondContact O-CG 3.4Å; L174-M178 PolarHBondContact O-N 3.33Å |
| 175 | V | 94.2 | Very high | 92.9 | Very high | 12 Ų | 12 | 54.5 Ų | 54.5 | 7% | 0.073 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.8 | -36.6 | -179.9 | 165.5 | 0 | 0 | 0 | 0 | 111.2 | Y171 T179 I180 G181 L182 | Y171-V175 HydrophobicContact CD2-CG2 3.89Å; Y171-V175 HydrophobicContact CE2-CG2 3.65Å; Y171-V175 WeakPolarHBondContact O-CB 3.42Å; Y171-V175 WeakPolarHBondContact O-CG2 3.3Å; Y171-V175 PolarHBondContact O-N 2.82Å; V175-T179 PolarHBondContact O-N 3.1Å; V175-I180 HydrophobicContact CG1-CB 3.94Å; V175-I180 HydrophobicContact CG1-CG2 4.14Å; V175-I180 PolarHBondContact O-N 3.09Å; V175-G181 VanDerWaalsContact CG1-N 3.35Å; V175-G181 PolarHBondContact O-N 2.88Å; V175-L182 HydrophobicContact CG1-CB 4.1Å; V175-L182 HydrophobicContact CG1-CD1 4.29Å; V175-L182 HydrophobicContact CG1-CG 3.94Å; V175-L182 HydrophobicContact CG2-CD1 4.4Å |
| 176 | T | 93.1 | Very high | 92.6 | Very high | 33 Ų | 33 | 55.6 Ų | 55.6 | 20% | 0.202 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -73.5 | -47.7 | 177.6 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | Y172 L174 M178 T179 F200 I201 | Y172-T176 WeakPolarHBondContact O-CB 3.39Å; Y172-T176 PolarHBondContact O-N 3.44Å; Y172-T176 PolarHBondContact O-OG1 2.89Å; L174-T176 VanDerWaalsContact C-N 3.29Å; L174-T176 PolarHBondContact O-N 3.44Å; T176-M178 PolarHBondContact O-N 2.73Å; T176-T179 WeakPolarHBondContact O-CA 3.42Å; T176-T179 PolarHBondContact O-N 3.3Å; T176-F200 HydrophobicContact CG2-CE1 3.71Å; T176-F200 HydrophobicContact CG2-CZ 4.5Å; T176-I201 HydrophobicContact CG2-CG1 3.97Å |
| 177 | A | 92.7 | Very high | 92.2 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 2% | 0.017 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V151 C173 L174 T179 F200 A208 | V151-A177 HydrophobicContact CG2-CB 4.37Å; C173-A177 WeakPolarHBondContact O-CB 3.49Å; C173-A177 PolarHBondContact O-N 2.9Å; L174-A177 PolarHBondContact O-N 2.96Å; A177-T179 PolarHBondContact O-N 3.43Å; A177-T179 VanDerWaalsContact O-N 3.08Å; A177-F200 HydrophobicContact CB-CZ 4.47Å; A177-A208 HydrophobicContact CB-CB 4.44Å; A177-A208 WeakPolarHBondContact O-CB 3.46Å |
| 178 | M | 91.1 | Very high | 91.5 | Very high | 48 Ų | 48 | 53.9 Ų | 53.9 | 24% | 0.236 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 3.6 | 175.2 | -66.4 | -60 | -62.1 | 0 | 0 | 113.6 | L147 L174 T176 I180 I212 | L147-M178 HydrophobicContact CD2-SD 3.92Å; L174-M178 HydrophobicContact CD1-CG 4.03Å; L174-M178 HydrophobicContact CG-CG 4.45Å; L174-M178 VanDerWaalsContact O-CB 3.23Å; L174-M178 WeakPolarHBondContact O-CB 3.47Å; L174-M178 VanDerWaalsContact O-CG 3.23Å; L174-M178 WeakPolarHBondContact O-CG 3.4Å; L174-M178 PolarHBondContact O-N 3.33Å; T176-M178 PolarHBondContact O-N 2.73Å; M178-I180 HydrophobicContact CB-CD1 3.97Å; M178-I180 HydrophobicContact CB-CG1 3.93Å; M178-I180 PolarHBondContact O-N 3.34Å; M178-I212 HydrophobicContact CE-CD1 4.29Å; M178-I212 HydrophobicContact CE-CG1 4.24Å |
| 179 | T | 91 | Very high | 90.5 | Very high | 92 Ų | 92 | 58.7 Ų | 58.7 | 56% | 0.564 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 22.5 | -178.7 | 64.5 | 0 | 0 | 0 | 0 | 114.1 | V175 T176 A177 L205 | V175-T179 PolarHBondContact O-N 3.1Å; T176-T179 WeakPolarHBondContact O-CA 3.42Å; T176-T179 PolarHBondContact O-N 3.3Å; A177-T179 PolarHBondContact O-N 3.43Å; A177-T179 VanDerWaalsContact O-N 3.08Å; T179-L205 HydrophobicContact CG2-CD1 3.62Å |
| 180 | I | 93.4 | Very high | 89.5 | Confident | 105 Ų | 105 | 64.6 Ų | 64.6 | 54% | 0.538 | 36% | 0.357 | S | S | . | . | trans | -72.3 | -43.2 | 173.8 | -60 | 172.1 | 0 | 0 | 0 | 109 | V175 M178 L182 | V175-I180 HydrophobicContact CG1-CB 3.94Å; V175-I180 HydrophobicContact CG1-CG2 4.14Å; V175-I180 PolarHBondContact O-N 3.09Å; M178-I180 HydrophobicContact CB-CD1 3.97Å; M178-I180 HydrophobicContact CB-CG1 3.93Å; M178-I180 PolarHBondContact O-N 3.34Å; I180-L182 HydrophobicContact CG2-CD2 4.1Å; I180-L182 HydrophobicContact CG2-CG 3.97Å; I180-L182 PolarHBondContact O-N 3.42Å | ||
| 181 | G | 90 | Very high | 88.5 | Confident | 51 Ų | 51 | 65 Ų | 65 | 53% | 0.526 | 38% | 0.378 | S | S | . | . | trans | 54.4 | 55.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | V175 G183 | V175-G181 VanDerWaalsContact CG1-N 3.35Å; V175-G181 PolarHBondContact O-N 2.88Å; G181-G183 PolarHBondContact O-N 3.34Å | ||
| 182 | L | 91.3 | Very high | 87.6 | Confident | 107 Ų | 107 | 65.1 Ų | 65.1 | 56% | 0.56 | 39% | 0.389 | S | S | * | . | trans | -62.9 | -26.9 | -177.9 | -66.4 | 172.6 | 0 | 0 | 0 | 113.6 | Y171 V175 I180 D184 | Y171-L182 HydrophobicContact CE2-CD1 4.29Å; Y171-L182 WeakPolarHBondContact OH-CD1 3.32Å; V175-L182 HydrophobicContact CG1-CB 4.1Å; V175-L182 HydrophobicContact CG1-CD1 4.29Å; V175-L182 HydrophobicContact CG1-CG 3.94Å; V175-L182 HydrophobicContact CG2-CD1 4.4Å; I180-L182 HydrophobicContact CG2-CD2 4.1Å; I180-L182 HydrophobicContact CG2-CG 3.97Å; I180-L182 PolarHBondContact O-N 3.42Å; L182-D184 PolarHBondContact O-N 3.46Å | ||
| 183 | G | 87.7 | Confident | 87 | Confident | 56 Ų | 56 | 64.2 Ų | 64.2 | 58% | 0.577 | 39% | 0.386 | S | S | * | . | trans | 70.5 | 14.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | G181 | G181-G183 PolarHBondContact O-N 3.34Š| ||
| 184 | D | 90.2 | Very high | 86.5 | Confident | 94 Ų | 94 | 67.7 Ų | 67.7 | 50% | 0.503 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -76 | -32.8 | 173.6 | 55.1 | -25.7 | 0 | 0 | 0 | 112.5 | Y171 L182 | Y171-D184 WeakPolarHBondContact CE1-OD1 3.13Å; Y171-D184 WeakPolarHBondContact CE1-OD2 3.28Å; Y171-D184 VanDerWaalsContact CZ-OD2 3.3Å; Y171-D184 PolarHBondContact OH-OD1 3.48Å; Y171-D184 PolarHBondContact OH-OD2 2.88Å; L182-D184 PolarHBondContact O-N 3.46Å |
| 185 | L | 88.9 | Confident | 86.2 | Confident | 38 Ų | 38 | 67.5 Ų | 67.5 | 20% | 0.199 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -113.4 | 131.7 | 170.7 | -78.9 | 71.8 | 0 | 0 | 0 | 109.8 | W164 D168 Y171 Y172 | W164-L185 HydrophobicContact CD2-CD2 4.46Å; W164-L185 HydrophobicContact CE3-CD2 4.12Å; W164-L185 HydrophobicContact CH2-CB 4.13Å; W164-L185 HydrophobicContact CZ3-CB 4.22Å; W164-L185 HydrophobicContact CZ3-CD2 4.28Å; D168-L185 HydrophobicContact CB-CD2 3.73Å; Y171-L185 HydrophobicContact CD1-CD1 4.31Å; Y171-L185 HydrophobicContact CD1-CD2 4.41Å; Y171-L185 HydrophobicContact CE1-CD1 4.06Å; Y172-L185 HydrophobicContact CD2-CB 4.15Å; Y172-L185 WeakPolarHBondContact CD2-O 3.26Å; Y172-L185 WeakPolarHBondContact CE2-O 3.45Å |
| 186 | V | 88.3 | Confident | 85.8 | Confident | 100 Ų | 100 | 70.3 Ų | 70.3 | 61% | 0.606 | 43% | 0.425 | S | S | * | . | trans | -140.3 | 130.9 | -179.1 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | W164 | W164-V186 VanDerWaalsContact CH2-C 3.49Å; W164-V186 VanDerWaalsContact CZ2-O 3.27Å; W164-V186 WeakPolarHBondContact CZ2-O 3.4Å | ||
| 187 | P | 85.6 | Confident | 85.6 | Confident | 15 Ų | 15 | 69.2 Ų | 69.2 | 10% | 0.097 | 42% | 0.418 | C | S | . | . | trans | -64.1 | 155.3 | -178.2 | 27 | -35.4 | 0 | 0 | 0 | 111.2 | F158 D162 Y172 | F158-P187 HydrophobicContact CE1-CB 4.2Å; D162-P187 WeakPolarHBondContact OD1-CA 3.36Å; Y172-P187 WeakPolarHBondContact OH-CD 3.37Å | ||
| 188 | E | 80.7 | Confident | 85.4 | Confident | 99 Ų | 99 | 74.1 Ų | 74.1 | 46% | 0.463 | 44% | 0.443 | S | S | . | . | trans | -63.7 | 149.6 | 176.9 | -64.1 | -171.2 | 171.1 | 0 | 0 | 110.6 | D162 E190 S193 | D162-E188 WeakPolarHBondContact OD1-CB 3.49Å; D162-E188 PolarHBondContact OD1-N 3.38Å; E188-E190 PolarHBondContact O-N 2.88Å; E188-E190 VanDerWaalsContact O-N 3.15Å; E188-S193 PolarHBondContact O-OG 3.46Å | ||
| 189 | M | 73.9 | Confident | 85.3 | Confident | 175 Ų | 175 | 76.7 Ų | 76.7 | 86% | 0.862 | 46% | 0.457 | S | S | * | . | trans | -88.8 | 29.6 | -171.2 | 13.8 | -169.1 | 175.2 | 0 | 0 | 112.6 | L194 | M189-L194 HydrophobicContact CB-CD1 4.34Å; M189-L194 HydrophobicContact CB-CD2 4.45Å | ||
| 190 | E | 75.1 | Confident | 85.3 | Confident | 123 Ų | 123 | 72.8 Ų | 72.8 | 58% | 0.575 | 43% | 0.432 | S | S | * | . | trans | -73.7 | 142.8 | 170.9 | -58.4 | -161.1 | 155.5 | 0 | 0 | 110 | E188 S192 S193 L194 | E188-E190 PolarHBondContact O-N 2.88Å; E188-E190 VanDerWaalsContact O-N 3.15Å; E190-S192 PolarHBondContact O-N 3.32Å; E190-S192 VanDerWaalsContact O-N 3.09Å; E190-S193 PolarHBondContact N-OG 3.25Å; E190-S193 PolarHBondContact O-N 3.09Å; E190-S193 VanDerWaalsContact O-N 3.17Å; E190-S193 PolarHBondContact O-OG 3.29Å; E190-L194 WeakPolarHBondContact O-CG 3.29Å; E190-L194 PolarHBondContact O-N 2.84Å | ||
| 191 | G | 73.4 | Confident | 85.2 | Confident | 65 Ų | 65 | 71.6 Ų | 71.6 | 67% | 0.67 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -58.1 | -32.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A195 | G191-A195 PolarHBondContact O-N 3.39Å |
| 192 | S | 77.6 | Confident | 85.1 | Confident | 78 Ų | 78 | 76 Ų | 76 | 55% | 0.545 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -73.4 | -44.7 | 177.3 | 43.3 | 0 | 0 | 0 | 0 | 112.9 | E190 L194 A195 L196 | E190-S192 PolarHBondContact O-N 3.32Å; E190-S192 VanDerWaalsContact O-N 3.09Å; S192-L194 VanDerWaalsContact C-N 3.34Å; S192-A195 PolarHBondContact O-N 3.35Å; S192-L196 WeakPolarHBondContact O-CG 3.27Å; S192-L196 PolarHBondContact O-N 2.91Å |
| 193 | S | 79.6 | Confident | 85.1 | Confident | 2 Ų | 2 | 74.9 Ų | 74.9 | 1% | 0.014 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -66 | -37 | 178.7 | 53.9 | 0 | 0 | 0 | 0 | 111.5 | E188 E190 L196 S197 | E188-S193 PolarHBondContact O-OG 3.46Å; E190-S193 PolarHBondContact N-OG 3.25Å; E190-S193 PolarHBondContact O-N 3.09Å; E190-S193 VanDerWaalsContact O-N 3.17Å; E190-S193 PolarHBondContact O-OG 3.29Å; S193-L196 PolarHBondContact O-N 3.41Å; S193-S197 PolarHBondContact O-N 3.45Å |
| 194 | L | 84.9 | Confident | 85.3 | Confident | 73 Ų | 73 | 72.3 Ų | 72.3 | 38% | 0.382 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 176.2 | -70 | 178.9 | 0 | 0 | 0 | 112.4 | M189 E190 S192 L196 S197 I198 | M189-L194 HydrophobicContact CB-CD1 4.34Å; M189-L194 HydrophobicContact CB-CD2 4.45Å; E190-L194 WeakPolarHBondContact O-CG 3.29Å; E190-L194 PolarHBondContact O-N 2.84Å; S192-L194 VanDerWaalsContact C-N 3.34Å; L194-L196 VanDerWaalsContact C-N 3.32Å; L194-L196 PolarHBondContact O-N 2.9Å; L194-S197 PolarHBondContact O-N 2.9Å; L194-S197 PolarHBondContact O-OG 3.17Å; L194-I198 WeakPolarHBondContact O-CG1 3.39Å; L194-I198 PolarHBondContact O-N 2.9Å; L194-I198 VanDerWaalsContact O-N 3.07Å |
| 195 | A | 87.1 | Confident | 85.2 | Confident | 49 Ų | 49 | 70.7 Ų | 70.7 | 41% | 0.405 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G191 S192 S197 I198 I199 | G191-A195 PolarHBondContact O-N 3.39Å; S192-A195 PolarHBondContact O-N 3.35Å; A195-S197 VanDerWaalsContact C-N 3.33Å; A195-S197 PolarHBondContact O-N 3.46Å; A195-I198 PolarHBondContact O-N 2.78Å; A195-I199 WeakPolarHBondContact O-CG1 3.21Å; A195-I199 PolarHBondContact O-N 3.32Å; A195-I199 VanDerWaalsContact O-N 3.13Å |
| 196 | L | 87 | Confident | 85.3 | Confident | 71 Ų | 71 | 69.8 Ų | 69.8 | 37% | 0.372 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 174.7 | -70.1 | 175.2 | 0 | 0 | 0 | 111.7 | I157 T161 S192 S193 L194 I198 I199 F200 | I157-L196 HydrophobicContact CG2-CD1 4.24Å; T161-L196 HydrophobicContact CG2-CD1 4.47Å; S192-L196 WeakPolarHBondContact O-CG 3.27Å; S192-L196 PolarHBondContact O-N 2.91Å; S193-L196 PolarHBondContact O-N 3.41Å; L194-L196 VanDerWaalsContact C-N 3.32Å; L194-L196 PolarHBondContact O-N 2.9Å; L196-I198 PolarHBondContact O-N 2.94Å; L196-I199 PolarHBondContact O-N 2.8Å; L196-F200 VanDerWaalsContact O-CB 3.23Å; L196-F200 WeakPolarHBondContact O-CB 3.25Å; L196-F200 PolarHBondContact O-N 2.81Å |
| 197 | S | 87.5 | Confident | 85.3 | Confident | 10 Ų | 10 | 65.9 Ų | 65.9 | 7% | 0.07 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 177.7 | 77.4 | 0 | 0 | 0 | 0 | 112.7 | S193 L194 A195 F200 I201 | S193-S197 PolarHBondContact O-N 3.45Å; L194-S197 PolarHBondContact O-N 2.9Å; L194-S197 PolarHBondContact O-OG 3.17Å; A195-S197 VanDerWaalsContact C-N 3.33Å; A195-S197 PolarHBondContact O-N 3.46Å; S197-F200 PolarHBondContact O-N 3.3Å; S197-I201 WeakPolarHBondContact O-CB 3Å; S197-I201 WeakPolarHBondContact O-CD1 3.15Å; S197-I201 WeakPolarHBondContact O-CG1 3.32Å; S197-I201 PolarHBondContact O-N 3.38Å |
| 198 | I | 89.4 | Confident | 85.6 | Confident | 106 Ų | 106 | 65.2 Ų | 65.2 | 54% | 0.544 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.7 | -46.7 | 179.2 | -66.2 | 166 | 0 | 0 | 0 | 110.7 | L194 A195 L196 F200 I201 F202 | L194-I198 WeakPolarHBondContact O-CG1 3.39Å; L194-I198 PolarHBondContact O-N 2.9Å; L194-I198 VanDerWaalsContact O-N 3.07Å; A195-I198 PolarHBondContact O-N 2.78Å; L196-I198 PolarHBondContact O-N 2.94Å; I198-F200 VanDerWaalsContact C-N 3.32Å; I198-F200 PolarHBondContact O-N 3.4Å; I198-I201 PolarHBondContact O-N 3.39Å; I198-F202 PolarHBondContact O-N 3.33Å |
| 199 | I | 89.9 | Confident | 86 | Confident | 101 Ų | 101 | 61.9 Ų | 61.9 | 52% | 0.518 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 177.7 | -68 | 169.2 | 0 | 0 | 0 | 109.7 | A195 L196 I201 F202 L203 | A195-I199 WeakPolarHBondContact O-CG1 3.21Å; A195-I199 PolarHBondContact O-N 3.32Å; A195-I199 VanDerWaalsContact O-N 3.13Å; L196-I199 PolarHBondContact O-N 2.8Å; I199-I201 PolarHBondContact O-N 3.18Å; I199-F202 PolarHBondContact O-N 3.33Å; I199-L203 HydrophobicContact CG2-CD1 3.64Å; I199-L203 WeakPolarHBondContact O-CD1 3.33Å; I199-L203 PolarHBondContact O-N 2.88Å |
| 200 | F | 90.1 | Very high | 86.6 | Confident | 10 Ų | 10 | 54.3 Ų | 54.3 | 4% | 0.044 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.6 | -47 | 176.1 | 163.7 | -108.1 | 0 | 0 | 0 | 112.3 | F150 C154 F158 Y172 C173 T176 A177 L196 S197 I198 F202 L203 G204 | F150-F200 HydrophobicContact CE1-CD2 4.16Å; F150-F200 AromaticContact CE1-CE2 3.86Å; F150-F200 HydrophobicContact CE1-CE2 3.86Å; F150-F200 HydrophobicContact CZ-CD2 4.07Å; F150-F200 HydrophobicContact CZ-CE2 4.25Å; C154-F200 HydrophobicContact CB-CD2 3.78Å; C154-F200 HydrophobicContact CB-CE2 3.81Å; C154-F200 VanDerWaalsContact SG-CD2 3.56Å; F158-F200 HydrophobicContact CE2-CB 4.18Å; F158-F200 AromaticContact CE2-CD1 3.83Å; F158-F200 HydrophobicContact CE2-CD1 3.83Å; F158-F200 HydrophobicContact CE2-CD2 4.34Å; F158-F200 HydrophobicContact CE2-CE1 4.36Å; F158-F200 AromaticContact CE2-CG 3.82Å; F158-F200 HydrophobicContact CE2-CG 3.82Å; F158-F200 HydrophobicContact CZ-CB 4.34Å; F158-F200 HydrophobicContact CZ-CD1 4.06Å; F158-F200 HydrophobicContact CZ-CG 4.27Å; Y172-F200 HydrophobicContact CE1-CE1 4.32Å; C173-F200 HydrophobicContact CB-CE2 4.16Å; C173-F200 HydrophobicContact CB-CZ 3.82Å; C173-F200 WeakPolarHBondContact O-CZ 3.45Å; T176-F200 HydrophobicContact CG2-CE1 3.71Å; T176-F200 HydrophobicContact CG2-CZ 4.5Å; A177-F200 HydrophobicContact CB-CZ 4.47Å; L196-F200 VanDerWaalsContact O-CB 3.23Å; L196-F200 WeakPolarHBondContact O-CB 3.25Å; L196-F200 PolarHBondContact O-N 2.81Å; S197-F200 PolarHBondContact O-N 3.3Å; I198-F200 VanDerWaalsContact C-N 3.32Å; I198-F200 PolarHBondContact O-N 3.4Å; F200-F202 VanDerWaalsContact C-N 3.28Å; F200-F202 PolarHBondContact O-N 2.94Å; F200-L203 PolarHBondContact O-N 3.3Å; F200-G204 WeakPolarHBondContact O-CA 3.46Å; F200-G204 PolarHBondContact O-N 3.43Å |
| 201 | I | 90.7 | Very high | 87.2 | Confident | 81 Ų | 81 | 48.6 Ų | 48.6 | 42% | 0.415 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 178.3 | -71.2 | 161.9 | 0 | 0 | 0 | 110.2 | T176 S197 I198 I199 L205 | T176-I201 HydrophobicContact CG2-CG1 3.97Å; S197-I201 WeakPolarHBondContact O-CB 3Å; S197-I201 WeakPolarHBondContact O-CD1 3.15Å; S197-I201 WeakPolarHBondContact O-CG1 3.32Å; S197-I201 PolarHBondContact O-N 3.38Å; I198-I201 PolarHBondContact O-N 3.39Å; I199-I201 PolarHBondContact O-N 3.18Å; I201-L205 WeakPolarHBondContact O-CB 3.39Å; I201-L205 PolarHBondContact O-N 2.97Å |
| 202 | F | 89.1 | Confident | 87.9 | Confident | 144 Ų | 144 | 48.5 Ų | 48.5 | 63% | 0.632 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -63.2 | -54.7 | 178.5 | -119.8 | -88.4 | 0 | 0 | 0 | 112.1 | I198 I199 F200 G204 L205 I206 | I198-F202 PolarHBondContact O-N 3.33Å; I199-F202 PolarHBondContact O-N 3.33Å; F200-F202 VanDerWaalsContact C-N 3.28Å; F200-F202 PolarHBondContact O-N 2.94Å; F202-G204 PolarHBondContact O-N 3.14Å; F202-L205 PolarHBondContact O-N 2.76Å; F202-I206 HydrophobicContact CD1-CD1 4.45Å; F202-I206 WeakPolarHBondContact O-CD1 3.4Å; F202-I206 WeakPolarHBondContact O-CG1 3.39Å; F202-I206 PolarHBondContact O-N 2.99Å |
| 203 | L | 90.2 | Very high | 88.3 | Confident | 83 Ų | 83 | 48.3 Ų | 48.3 | 44% | 0.435 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 179.8 | -83.6 | 84.2 | 0 | 0 | 0 | 111.9 | F150 I199 F200 L205 I206 I207 | F150-L203 HydrophobicContact CE2-CB 4.03Å; F150-L203 HydrophobicContact CE2-CD2 4.38Å; F150-L203 HydrophobicContact CZ-CB 3.81Å; I199-L203 HydrophobicContact CG2-CD1 3.64Å; I199-L203 WeakPolarHBondContact O-CD1 3.33Å; I199-L203 PolarHBondContact O-N 2.88Å; F200-L203 PolarHBondContact O-N 3.3Å; L203-L205 VanDerWaalsContact C-N 3.34Å; L203-L205 PolarHBondContact O-N 3.43Å; L203-I206 PolarHBondContact O-N 2.89Å; L203-I207 WeakPolarHBondContact O-CG1 3.36Å; L203-I207 PolarHBondContact O-N 3.36Å |
| 204 | G | 91.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F200 F202 I206 I207 A208 | F200-G204 WeakPolarHBondContact O-CA 3.46Å; F200-G204 PolarHBondContact O-N 3.43Å; F202-G204 PolarHBondContact O-N 3.14Å; G204-I206 VanDerWaalsContact C-N 3.35Å; G204-I206 PolarHBondContact O-N 3.41Å; G204-I207 PolarHBondContact O-N 3.43Å; G204-A208 WeakPolarHBondContact O-CB 3.3Å; G204-A208 PolarHBondContact O-N 3.14Å |
| 205 | L | 90 | Very high | 88.6 | Confident | 61 Ų | 61 | 47.5 Ų | 47.5 | 32% | 0.319 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 174.8 | -174.1 | 69.5 | 0 | 0 | 0 | 111.3 | V94 T179 I201 F202 L203 T209 | V94-L205 HydrophobicContact CG2-CD2 4.38Å; T179-L205 HydrophobicContact CG2-CD1 3.62Å; I201-L205 WeakPolarHBondContact O-CB 3.39Å; I201-L205 PolarHBondContact O-N 2.97Å; F202-L205 PolarHBondContact O-N 2.76Å; L203-L205 VanDerWaalsContact C-N 3.34Å; L203-L205 PolarHBondContact O-N 3.43Å; L205-T209 HydrophobicContact CD1-CG2 4.14Å; L205-T209 HydrophobicContact CG-CG2 4.28Å; L205-T209 VanDerWaalsContact O-CB 3.25Å; L205-T209 WeakPolarHBondContact O-CB 3.26Å; L205-T209 WeakPolarHBondContact O-CG2 3.02Å; L205-T209 PolarHBondContact O-N 3.39Å; L205-T209 PolarHBondContact O-OG1 2.86Å |
| 206 | I | 89.5 | Confident | 88.7 | Confident | 18 Ų | 18 | 47.1 Ų | 47.1 | 9% | 0.092 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.9 | -49.6 | 179 | -69 | 155.5 | 0 | 0 | 0 | 111.2 | F97 T101 F202 L203 G204 T209 M210 | F97-I206 HydrophobicContact CD1-CB 4.12Å; F97-I206 HydrophobicContact CD1-CD1 3.31Å; F97-I206 HydrophobicContact CD1-CG1 3.51Å; F97-I206 HydrophobicContact CD1-CG2 3.49Å; F97-I206 VanDerWaalsContact CD1-CG2 3.49Å; F97-I206 HydrophobicContact CE1-CB 4.39Å; F97-I206 HydrophobicContact CE1-CD1 3.21Å; F97-I206 HydrophobicContact CE1-CG1 3.91Å; F97-I206 HydrophobicContact CE1-CG2 3.76Å; F97-I206 HydrophobicContact CG-CD1 4.18Å; F97-I206 HydrophobicContact CG-CG1 4.38Å; F97-I206 HydrophobicContact CZ-CD1 4.01Å; T101-I206 HydrophobicContact CG2-CG2 4.02Å; T101-I206 WeakPolarHBondContact OG1-CG2 3.46Å; F202-I206 HydrophobicContact CD1-CD1 4.45Å; F202-I206 WeakPolarHBondContact O-CD1 3.4Å; F202-I206 WeakPolarHBondContact O-CG1 3.39Å; F202-I206 PolarHBondContact O-N 2.99Å; L203-I206 PolarHBondContact O-N 2.89Å; G204-I206 VanDerWaalsContact C-N 3.35Å; G204-I206 PolarHBondContact O-N 3.41Å; I206-T209 PolarHBondContact O-OG1 3.1Å; I206-M210 WeakPolarHBondContact O-CG 3.23Å; I206-M210 PolarHBondContact O-N 3.4Å; I206-M210 VanDerWaalsContact O-N 3.13Å |
| 207 | I | 89.5 | Confident | 88.7 | Confident | 19 Ų | 19 | 46.5 Ų | 46.5 | 10% | 0.097 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.8 | -41.2 | -177 | -63.5 | 168.6 | 0 | 0 | 0 | 110.4 | F105 I146 L147 F150 L203 G204 M210 C211 | F105-I207 HydrophobicContact CE2-CG1 4.41Å; I146-I207 HydrophobicContact CG2-CG2 4.42Å; L147-I207 HydrophobicContact CD1-CG2 3.99Å; F150-I207 HydrophobicContact CB-CD1 4.15Å; F150-I207 HydrophobicContact CD1-CD1 3.95Å; F150-I207 HydrophobicContact CD2-CD1 3.4Å; F150-I207 VanDerWaalsContact CD2-CD1 3.4Å; F150-I207 HydrophobicContact CE1-CD1 4.22Å; F150-I207 HydrophobicContact CE2-CD1 3.69Å; F150-I207 HydrophobicContact CG-CD1 3.54Å; F150-I207 HydrophobicContact CZ-CD1 4.09Å; L203-I207 WeakPolarHBondContact O-CG1 3.36Å; L203-I207 PolarHBondContact O-N 3.36Å; G204-I207 PolarHBondContact O-N 3.43Å; I207-M210 PolarHBondContact O-N 3.44Å; I207-C211 VanDerWaalsContact O-CB 3.24Å; I207-C211 WeakPolarHBondContact O-CB 3.01Å; I207-C211 PolarHBondContact O-N 3.2Å |
| 208 | A | 90.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.6 | -39.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L147 A177 G204 M210 C211 I212 | L147-A208 HydrophobicContact CD1-CB 4.15Å; A177-A208 HydrophobicContact CB-CB 4.44Å; A177-A208 WeakPolarHBondContact O-CB 3.46Å; G204-A208 WeakPolarHBondContact O-CB 3.3Å; G204-A208 PolarHBondContact O-N 3.14Å; A208-M210 VanDerWaalsContact C-N 3.34Å; A208-M210 PolarHBondContact O-N 3.42Å; A208-C211 WeakPolarHBondContact O-CB 3.38Å; A208-C211 PolarHBondContact O-N 2.98Å; A208-I212 WeakPolarHBondContact O-CB 3.36Å; A208-I212 WeakPolarHBondContact O-CG1 3.19Å; A208-I212 PolarHBondContact O-N 3.17Å |
| 209 | T | 88.8 | Confident | 88.6 | Confident | 29 Ų | 29 | 51.6 Ų | 51.6 | 18% | 0.178 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 174.6 | 49 | 0 | 0 | 0 | 0 | 110.9 | V94 L205 I206 C211 I212 D213 | V94-T209 HydrophobicContact CG1-CG2 4.14Å; L205-T209 HydrophobicContact CD1-CG2 4.14Å; L205-T209 HydrophobicContact CG-CG2 4.28Å; L205-T209 VanDerWaalsContact O-CB 3.25Å; L205-T209 WeakPolarHBondContact O-CB 3.26Å; L205-T209 WeakPolarHBondContact O-CG2 3.02Å; L205-T209 PolarHBondContact O-N 3.39Å; L205-T209 PolarHBondContact O-OG1 2.86Å; I206-T209 PolarHBondContact O-OG1 3.1Å; T209-C211 VanDerWaalsContact C-N 3.33Å; T209-C211 PolarHBondContact O-N 3.25Å; T209-I212 PolarHBondContact O-N 3.42Å; T209-D213 WeakPolarHBondContact O-CB 3.34Å; T209-D213 PolarHBondContact O-N 2.9Å |
| 210 | M | 86.5 | Confident | 88.6 | Confident | 15 Ų | 15 | 52.1 Ų | 52.1 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.5 | -43 | 173.2 | -80.4 | -66.8 | 89.7 | 0 | 0 | 114.8 | S98 A102 I206 I207 A208 D213 S214 | S98-M210 VanDerWaalsContact C-CE 3.41Å; S98-M210 VanDerWaalsContact O-CG 3.32Å; S98-M210 WeakPolarHBondContact O-CG 3.37Å; S98-M210 WeakPolarHBondContact OG-CE 3.35Å; A102-M210 HydrophobicContact CB-SD 3.39Å; A102-M210 WeakPolarHBondContact CB-SD 3.2Å; I206-M210 WeakPolarHBondContact O-CG 3.23Å; I206-M210 PolarHBondContact O-N 3.4Å; I206-M210 VanDerWaalsContact O-N 3.13Å; I207-M210 PolarHBondContact O-N 3.44Å; A208-M210 VanDerWaalsContact C-N 3.34Å; A208-M210 PolarHBondContact O-N 3.42Å; M210-D213 HydrophobicContact CE-CB 4.2Å; M210-D213 VanDerWaalsContact CE-OD2 3.27Å; M210-D213 WeakPolarHBondContact CE-OD2 3.33Å; M210-S214 WeakPolarHBondContact O-CB 3.37Å; M210-S214 PolarHBondContact O-N 2.92Å; M210-S214 VanDerWaalsContact O-N 3.09Å; M210-S214 PolarHBondContact O-OG 3.03Å |
| 211 | C | 87.8 | Confident | 88.4 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.02 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 177.3 | -175.6 | 0 | 0 | 0 | 0 | 111.4 | M144 L147 I207 A208 T209 M215 | M144-C211 WeakPolarHBondContact CE-SG 3.44Å; L147-C211 HydrophobicContact CD1-CB 4.38Å; I207-C211 VanDerWaalsContact O-CB 3.24Å; I207-C211 WeakPolarHBondContact O-CB 3.01Å; I207-C211 PolarHBondContact O-N 3.2Å; A208-C211 WeakPolarHBondContact O-CB 3.38Å; A208-C211 PolarHBondContact O-N 2.98Å; T209-C211 VanDerWaalsContact C-N 3.33Å; T209-C211 PolarHBondContact O-N 3.25Å; C211-M215 WeakPolarHBondContact O-CB 3.5Å; C211-M215 WeakPolarHBondContact O-CG 3.38Å; C211-M215 PolarHBondContact O-N 3Å |
| 212 | I | 88.7 | Confident | 88.2 | Confident | 63 Ų | 63 | 58 Ų | 58 | 32% | 0.323 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.3 | -44.4 | 177.8 | -70 | 165.3 | 0 | 0 | 0 | 111.1 | M178 A208 T209 S214 M215 A216 | M178-I212 HydrophobicContact CE-CD1 4.29Å; M178-I212 HydrophobicContact CE-CG1 4.24Å; A208-I212 WeakPolarHBondContact O-CB 3.36Å; A208-I212 WeakPolarHBondContact O-CG1 3.19Å; A208-I212 PolarHBondContact O-N 3.17Å; T209-I212 PolarHBondContact O-N 3.42Å; I212-S214 PolarHBondContact O-N 3.13Å; I212-M215 HydrophobicContact CG1-CE 4.17Å; I212-M215 PolarHBondContact O-N 3.11Å; I212-A216 VanDerWaalsContact O-CB 3.3Å; I212-A216 WeakPolarHBondContact O-CB 2.98Å; I212-A216 PolarHBondContact O-N 3.49Å |
| 213 | D | 86.2 | Confident | 88.3 | Confident | 74 Ų | 74 | 56.8 Ų | 56.8 | 40% | 0.396 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 179 | -70.6 | -19.7 | 0 | 0 | 0 | 110.9 | T209 M210 A216 I217 | T209-D213 WeakPolarHBondContact O-CB 3.34Å; T209-D213 PolarHBondContact O-N 2.9Å; M210-D213 HydrophobicContact CE-CB 4.2Å; M210-D213 VanDerWaalsContact CE-OD2 3.27Å; M210-D213 WeakPolarHBondContact CE-OD2 3.33Å; D213-A216 PolarHBondContact O-N 2.88Å; D213-I217 WeakPolarHBondContact O-CG1 3.36Å; D213-I217 PolarHBondContact O-N 3.49Å |
| 214 | S | 84.6 | Confident | 88.2 | Confident | 27 Ų | 27 | 58.1 Ų | 58.1 | 19% | 0.189 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 178.5 | -56.5 | 0 | 0 | 0 | 0 | 112.4 | L143 M210 I212 H218 | L143-S214 VanDerWaalsContact CD1-CB 3.43Å; L143-S214 VanDerWaalsContact CD1-OG 3.29Å; L143-S214 WeakPolarHBondContact CD1-OG 3.18Å; M210-S214 WeakPolarHBondContact O-CB 3.37Å; M210-S214 PolarHBondContact O-N 2.92Å; M210-S214 VanDerWaalsContact O-N 3.09Å; M210-S214 PolarHBondContact O-OG 3.03Å; I212-S214 PolarHBondContact O-N 3.13Å; S214-H218 PolarHBondContact O-N 3.33Å |
| 215 | M | 86.5 | Confident | 88 | Confident | 31 Ų | 31 | 65.8 Ų | 65.8 | 15% | 0.153 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 172.7 | -84.2 | -169.7 | -67.7 | 0 | 0 | 111.7 | L140 M144 C211 I212 I217 H218 Y219 | L140-M215 HydrophobicContact CD1-CB 4.45Å; L140-M215 HydrophobicContact CD1-CG 3.7Å; M144-M215 HydrophobicContact CE-CE 3.89Å; M144-M215 HydrophobicContact CE-CG 3.48Å; M144-M215 VanDerWaalsContact CE-CG 3.48Å; M144-M215 HydrophobicContact CE-SD 3.47Å; M144-M215 WeakPolarHBondContact CE-SD 3.05Å; M144-M215 HydrophobicContact SD-SD 3.92Å; C211-M215 WeakPolarHBondContact O-CB 3.5Å; C211-M215 WeakPolarHBondContact O-CG 3.38Å; C211-M215 PolarHBondContact O-N 3Å; I212-M215 HydrophobicContact CG1-CE 4.17Å; I212-M215 PolarHBondContact O-N 3.11Å; M215-I217 VanDerWaalsContact C-N 3.32Å; M215-I217 PolarHBondContact O-N 2.89Å; M215-H218 PolarHBondContact O-N 2.87Å; M215-Y219 HydrophobicContact CB-CD2 4.04Å; M215-Y219 HydrophobicContact CB-CE2 3.9Å; M215-Y219 HydrophobicContact CG-CE2 4.2Å; M215-Y219 WeakPolarHBondContact O-CB 3.27Å; M215-Y219 WeakPolarHBondContact O-CD2 3.23Å; M215-Y219 PolarHBondContact O-N 2.88Å; M215-Y219 HydrophobicContact SD-CE2 4.25Å |
| 216 | A | 88.6 | Confident | 88 | Confident | 41 Ų | 41 | 68.9 Ų | 68.9 | 34% | 0.339 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.9 | -45.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | I212 D213 Y219 I220 | I212-A216 VanDerWaalsContact O-CB 3.3Å; I212-A216 WeakPolarHBondContact O-CB 2.98Å; I212-A216 PolarHBondContact O-N 3.49Å; D213-A216 PolarHBondContact O-N 2.88Å; A216-Y219 PolarHBondContact O-N 3.32Å; A216-I220 WeakPolarHBondContact O-CB 3.33Å; A216-I220 WeakPolarHBondContact O-CD1 3.49Å; A216-I220 WeakPolarHBondContact O-CG1 3.49Å; A216-I220 PolarHBondContact O-N 3.46Å |
| 217 | I | 86.8 | Confident | 88 | Confident | 59 Ų | 59 | 69.1 Ų | 69.1 | 30% | 0.303 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.5 | -47.4 | 179.7 | -56.9 | 165.2 | 0 | 0 | 0 | 110.9 | E134 D213 M215 Y219 I220 E221 | E134-I217 WeakPolarHBondContact OE1-CG2 3.44Å; D213-I217 WeakPolarHBondContact O-CG1 3.36Å; D213-I217 PolarHBondContact O-N 3.49Å; M215-I217 VanDerWaalsContact C-N 3.32Å; M215-I217 PolarHBondContact O-N 2.89Å; I217-Y219 VanDerWaalsContact C-N 3.31Å; I217-Y219 PolarHBondContact O-N 3.05Å; I217-I220 WeakPolarHBondContact O-CB 3.37Å; I217-I220 PolarHBondContact O-N 3.5Å; I217-I220 VanDerWaalsContact O-N 3.11Å; I217-E221 WeakPolarHBondContact O-CG 3.15Å; I217-E221 PolarHBondContact O-N 3.08Å |
| 218 | H | 85.3 | Confident | 87.9 | Confident | 84 Ų | 84 | 76.1 Ų | 76.1 | 39% | 0.389 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62 | -36.9 | 178.2 | -168.9 | 64.9 | 0 | 0 | 0 | 113.1 | L140 S214 M215 E221 K222 | L140-H218 HydrophobicContact CD2-CB 4.45Å; S214-H218 PolarHBondContact O-N 3.33Å; M215-H218 PolarHBondContact O-N 2.87Å; H218-E221 IonicContact ND1-OE2 3.57Å; H218-K222 PolarHBondContact O-N 3.15Å; H218-K222 VanDerWaalsContact O-N 3.13Å |
| 219 | Y | 89 | Confident | 87.9 | Confident | 138 Ų | 138 | 81.2 Ų | 81.2 | 54% | 0.541 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -70.5 | -36.6 | 175.1 | -75.7 | -55.7 | 0 | 0 | 0 | 112.5 | M215 A216 I217 E221 K222 I223 | M215-Y219 HydrophobicContact CB-CD2 4.04Å; M215-Y219 HydrophobicContact CB-CE2 3.9Å; M215-Y219 HydrophobicContact CG-CE2 4.2Å; M215-Y219 WeakPolarHBondContact O-CB 3.27Å; M215-Y219 WeakPolarHBondContact O-CD2 3.23Å; M215-Y219 PolarHBondContact O-N 2.88Å; M215-Y219 HydrophobicContact SD-CE2 4.25Å; A216-Y219 PolarHBondContact O-N 3.32Å; I217-Y219 VanDerWaalsContact C-N 3.31Å; I217-Y219 PolarHBondContact O-N 3.05Å; Y219-E221 VanDerWaalsContact C-N 3.33Å; Y219-K222 PolarHBondContact O-N 2.86Å; Y219-I223 WeakPolarHBondContact O-CB 3.48Å; Y219-I223 WeakPolarHBondContact O-CG2 3.44Å; Y219-I223 PolarHBondContact O-N 3.18Å |
| 220 | I | 90.6 | Very high | 87.9 | Confident | 113 Ų | 113 | 84.2 Ų | 84.2 | 58% | 0.579 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -62.6 | -41.6 | 176 | -71.9 | 162.4 | 0 | 0 | 0 | 110.6 | A216 I217 I223 H224 | A216-I220 WeakPolarHBondContact O-CB 3.33Å; A216-I220 WeakPolarHBondContact O-CD1 3.49Å; A216-I220 WeakPolarHBondContact O-CG1 3.49Å; A216-I220 PolarHBondContact O-N 3.46Å; I217-I220 WeakPolarHBondContact O-CB 3.37Å; I217-I220 PolarHBondContact O-N 3.5Å; I217-I220 VanDerWaalsContact O-N 3.11Å; I220-I223 WeakPolarHBondContact O-CG2 3.42Å; I220-H224 WeakPolarHBondContact O-CB 3.18Å; I220-H224 PolarHBondContact O-N 3.47Å |
| 221 | E | 86.3 | Confident | 87.8 | Confident | 78 Ų | 78 | 92.6 Ų | 92.6 | 36% | 0.364 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.2 | -50.7 | 174.2 | -67.6 | 173.3 | 160.7 | 0 | 0 | 110.8 | I217 H218 Y219 I223 H224 Y225 | I217-E221 WeakPolarHBondContact O-CG 3.15Å; I217-E221 PolarHBondContact O-N 3.08Å; H218-E221 IonicContact ND1-OE2 3.57Å; Y219-E221 VanDerWaalsContact C-N 3.33Å; E221-I223 VanDerWaalsContact C-N 3.3Å; E221-I223 PolarHBondContact O-N 3.23Å; E221-H224 WeakPolarHBondContact O-CB 3.18Å; E221-H224 PolarHBondContact O-N 3.07Å; E221-H224 VanDerWaalsContact O-N 3.07Å; E221-Y225 HydrophobicContact CB-CE2 4.5Å; E221-Y225 WeakPolarHBondContact O-CD2 3.12Å; E221-Y225 PolarHBondContact O-N 3.49Å |
| 222 | K | 86.5 | Confident | 87.7 | Confident | 136 Ų | 136 | 93.2 Ų | 93.2 | 59% | 0.591 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62 | -38 | -177.5 | -165.4 | 168.6 | -172.2 | 170 | 0 | 112.3 | H218 Y219 Y225 F226 | H218-K222 PolarHBondContact O-N 3.15Å; H218-K222 VanDerWaalsContact O-N 3.13Å; Y219-K222 PolarHBondContact O-N 2.86Å; K222-Y225 PolarHBondContact O-N 3.41Å; K222-F226 VanDerWaalsContact O-CB 3.23Å; K222-F226 WeakPolarHBondContact O-CB 3.44Å; K222-F226 PolarHBondContact O-N 3.3Å |
| 223 | I | 90.3 | Very high | 87.8 | Confident | 118 Ų | 118 | 94.9 Ų | 94.9 | 61% | 0.605 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -69.9 | -34.7 | 176.2 | -160.4 | 158.2 | 0 | 0 | 0 | 111.7 | Y219 I220 E221 F226 G227 | Y219-I223 WeakPolarHBondContact O-CB 3.48Å; Y219-I223 WeakPolarHBondContact O-CG2 3.44Å; Y219-I223 PolarHBondContact O-N 3.18Å; I220-I223 WeakPolarHBondContact O-CG2 3.42Å; E221-I223 VanDerWaalsContact C-N 3.3Å; E221-I223 PolarHBondContact O-N 3.23Å; I223-F226 PolarHBondContact O-N 3.07Å; I223-G227 PolarHBondContact O-N 2.77Å |
| 224 | H | 87.9 | Confident | 87.9 | Confident | 112 Ų | 112 | 92.7 Ų | 92.7 | 52% | 0.519 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65 | -46.4 | 173.3 | 176.3 | -102.6 | 0 | 0 | 0 | 111.7 | I220 E221 F226 G227 R228 | I220-H224 WeakPolarHBondContact O-CB 3.18Å; I220-H224 PolarHBondContact O-N 3.47Å; E221-H224 WeakPolarHBondContact O-CB 3.18Å; E221-H224 PolarHBondContact O-N 3.07Å; E221-H224 VanDerWaalsContact O-N 3.07Å; H224-F226 PolarHBondContact O-N 3.31Å; H224-G227 PolarHBondContact O-N 2.61Å; H224-R228 PolarHBondContact O-N 3.29Å |
| 225 | Y | 88.4 | Confident | 88.1 | Confident | 162 Ų | 162 | 98.6 Ų | 98.6 | 64% | 0.635 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62 | -42.6 | 174.3 | -78.5 | -71.9 | 0 | 0 | 0 | 112.3 | E221 K222 G227 R228 N229 | E221-Y225 HydrophobicContact CB-CE2 4.5Å; E221-Y225 WeakPolarHBondContact O-CD2 3.12Å; E221-Y225 PolarHBondContact O-N 3.49Å; K222-Y225 PolarHBondContact O-N 3.41Å; Y225-G227 VanDerWaalsContact C-N 3.34Å; Y225-G227 PolarHBondContact O-N 3Å; Y225-R228 PolarHBondContact O-N 2.91Å; Y225-N229 PolarHBondContact O-N 3.03Å |
| 226 | F | 89.9 | Confident | 88.2 | Confident | 125 Ų | 125 | 100.5 Ų | 100.5 | 55% | 0.548 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 176.4 | -177.1 | -106 | 0 | 0 | 0 | 111.9 | K222 I223 H224 R228 N229 I230 | K222-F226 VanDerWaalsContact O-CB 3.23Å; K222-F226 WeakPolarHBondContact O-CB 3.44Å; K222-F226 PolarHBondContact O-N 3.3Å; I223-F226 PolarHBondContact O-N 3.07Å; H224-F226 PolarHBondContact O-N 3.31Å; F226-R228 PolarHBondContact O-N 2.92Å; F226-N229 WeakPolarHBondContact O-CB 3.42Å; F226-N229 PolarHBondContact O-N 3.39Å; F226-N229 VanDerWaalsContact O-N 3.15Å; F226-I230 HydrophobicContact CD1-CD1 3.91Å; F226-I230 HydrophobicContact CE1-CD1 3.43Å; F226-I230 VanDerWaalsContact CE1-CD1 3.43Å; F226-I230 HydrophobicContact CE1-CG1 4.23Å; F226-I230 HydrophobicContact CZ-CD1 3.94Å; F226-I230 HydrophobicContact CZ-CG1 4.35Å; F226-I230 PolarHBondContact O-N 3.46Å; F226-I230 VanDerWaalsContact O-N 3.08Å |
| 227 | G | 89.2 | Confident | 88.4 | Confident | 23 Ų | 23 | 103.6 Ų | 103.6 | 24% | 0.237 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -56.4 | -48.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I223 H224 Y225 N229 I230 Y231 | I223-G227 PolarHBondContact O-N 2.77Å; H224-G227 PolarHBondContact O-N 2.61Å; Y225-G227 VanDerWaalsContact C-N 3.34Å; Y225-G227 PolarHBondContact O-N 3Å; G227-N229 VanDerWaalsContact C-N 3.29Å; G227-N229 PolarHBondContact O-N 3.35Å; G227-I230 WeakPolarHBondContact O-CB 3.45Å; G227-I230 PolarHBondContact O-N 3.18Å; G227-I230 VanDerWaalsContact O-N 3.1Å; G227-Y231 WeakPolarHBondContact O-CD2 3.04Å; G227-Y231 PolarHBondContact O-N 3.1Å |
| 228 | R | 87.6 | Confident | 88.5 | Confident | 167 Ų | 167 | 106.8 Ų | 106.8 | 63% | 0.63 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.9 | -38.1 | 175.3 | -70.2 | -178 | 70.5 | 106.4 | -2.1 | 112.7 | H224 Y225 F226 I230 Y231 G232 | H224-R228 PolarHBondContact O-N 3.29Å; Y225-R228 PolarHBondContact O-N 2.91Å; F226-R228 PolarHBondContact O-N 2.92Å; R228-I230 VanDerWaalsContact C-N 3.32Å; R228-I230 PolarHBondContact O-N 2.87Å; R228-Y231 PolarHBondContact O-N 2.89Å; R228-G232 PolarHBondContact O-N 3.43Å |
| 229 | N | 90.1 | Very high | 88.8 | Confident | 107 Ų | 107 | 105.3 Ų | 105.3 | 57% | 0.572 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.5 | -35.3 | 176.2 | -173.6 | 67.3 | 0 | 0 | 0 | 112.6 | Y225 F226 G227 G232 L233 | Y225-N229 PolarHBondContact O-N 3.03Å; F226-N229 WeakPolarHBondContact O-CB 3.42Å; F226-N229 PolarHBondContact O-N 3.39Å; F226-N229 VanDerWaalsContact O-N 3.15Å; G227-N229 VanDerWaalsContact C-N 3.29Å; G227-N229 PolarHBondContact O-N 3.35Å; N229-G232 WeakPolarHBondContact O-CA 3.49Å; N229-G232 PolarHBondContact O-N 3.26Å; N229-L233 PolarHBondContact O-N 3.35Å |
| 230 | I | 89 | Confident | 89 | Confident | 93 Ų | 93 | 103.7 Ų | 103.7 | 48% | 0.477 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.5 | -44.4 | 175 | -68 | 171.8 | 0 | 0 | 0 | 111.3 | F226 G227 R228 G232 L233 G234 | F226-I230 HydrophobicContact CD1-CD1 3.91Å; F226-I230 HydrophobicContact CE1-CD1 3.43Å; F226-I230 VanDerWaalsContact CE1-CD1 3.43Å; F226-I230 HydrophobicContact CE1-CG1 4.23Å; F226-I230 HydrophobicContact CZ-CD1 3.94Å; F226-I230 HydrophobicContact CZ-CG1 4.35Å; F226-I230 PolarHBondContact O-N 3.46Å; F226-I230 VanDerWaalsContact O-N 3.08Å; G227-I230 WeakPolarHBondContact O-CB 3.45Å; G227-I230 PolarHBondContact O-N 3.18Å; G227-I230 VanDerWaalsContact O-N 3.1Å; R228-I230 VanDerWaalsContact C-N 3.32Å; R228-I230 PolarHBondContact O-N 2.87Å; I230-G232 PolarHBondContact O-N 3.49Å; I230-L233 PolarHBondContact O-N 3Å; I230-G234 PolarHBondContact O-N 2.82Å |
| 231 | Y | 84.1 | Confident | 89.1 | Confident | 190 Ų | 190 | 100.2 Ų | 100.2 | 75% | 0.745 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.1 | -37.9 | 173.7 | -68 | -72 | 0 | 0 | 0 | 111.5 | G227 R228 G234 Y235 | G227-Y231 WeakPolarHBondContact O-CD2 3.04Å; G227-Y231 PolarHBondContact O-N 3.1Å; R228-Y231 PolarHBondContact O-N 2.89Å; Y231-G234 PolarHBondContact O-N 3.39Å; Y231-Y235 PolarHBondContact O-N 3.32Å; Y231-Y235 VanDerWaalsContact O-N 3.16Å |
| 232 | G | 87 | Confident | 89.3 | Confident | 17 Ų | 17 | 102 Ų | 102 | 18% | 0.175 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -51.9 | -57.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R228 N229 I230 G234 Y235 I236 | R228-G232 PolarHBondContact O-N 3.43Å; N229-G232 WeakPolarHBondContact O-CA 3.49Å; N229-G232 PolarHBondContact O-N 3.26Å; I230-G232 PolarHBondContact O-N 3.49Å; G232-G234 PolarHBondContact O-N 3.2Å; G232-Y235 VanDerWaalsContact C-CE1 3.5Å; G232-Y235 WeakPolarHBondContact O-CD1 3.25Å; G232-Y235 WeakPolarHBondContact O-CE1 2.97Å; G232-Y235 VanDerWaalsContact O-CG 3.23Å; G232-Y235 PolarHBondContact O-N 3.12Å; G232-Y235 VanDerWaalsContact O-N 3.12Å; G232-I236 PolarHBondContact O-N 3.25Å |
| 233 | L | 89.8 | Confident | 89.5 | Confident | 97 Ų | 97 | 104.6 Ų | 104.6 | 51% | 0.508 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.3 | -36 | -179 | -169.9 | 62.9 | 0 | 0 | 0 | 112.1 | N229 I230 Y235 I236 L237 | N229-L233 PolarHBondContact O-N 3.35Å; I230-L233 PolarHBondContact O-N 3Å; L233-Y235 PolarHBondContact O-N 3.34Å; L233-I236 PolarHBondContact O-N 3.23Å; L233-L237 HydrophobicContact CG-CD1 4.03Å; L233-L237 HydrophobicContact CG-CG 4.32Å; L233-L237 WeakPolarHBondContact O-CB 3.4Å; L233-L237 VanDerWaalsContact O-CG 3.25Å; L233-L237 WeakPolarHBondContact O-CG 2.71Å; L233-L237 PolarHBondContact O-N 3.42Å |
| 234 | G | 89.2 | Confident | 89.5 | Confident | 28 Ų | 28 | 101.6 Ų | 101.6 | 29% | 0.289 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.9 | -44.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I230 Y231 G232 L237 N238 | I230-G234 PolarHBondContact O-N 2.82Å; Y231-G234 PolarHBondContact O-N 3.39Å; G232-G234 PolarHBondContact O-N 3.2Å; G234-L237 PolarHBondContact O-N 2.89Å; G234-N238 WeakPolarHBondContact O-CB 3.32Å; G234-N238 VanDerWaalsContact O-CG 3.27Å; G234-N238 PolarHBondContact O-N 3.06Å; G234-N238 PolarHBondContact O-ND2 3.43Å |
| 235 | Y | 88.8 | Confident | 89.5 | Confident | 151 Ų | 151 | 98.8 Ų | 98.8 | 59% | 0.592 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65 | -41.1 | 176.5 | 86.4 | -106.6 | 0 | 0 | 0 | 111.4 | Y231 G232 L233 N238 A239 | Y231-Y235 PolarHBondContact O-N 3.32Å; Y231-Y235 VanDerWaalsContact O-N 3.16Å; G232-Y235 VanDerWaalsContact C-CE1 3.5Å; G232-Y235 WeakPolarHBondContact O-CD1 3.25Å; G232-Y235 WeakPolarHBondContact O-CE1 2.97Å; G232-Y235 VanDerWaalsContact O-CG 3.23Å; G232-Y235 PolarHBondContact O-N 3.12Å; G232-Y235 VanDerWaalsContact O-N 3.12Å; L233-Y235 PolarHBondContact O-N 3.34Å; Y235-N238 PolarHBondContact O-N 3.49Å; Y235-A239 VanDerWaalsContact O-CB 3.29Å; Y235-A239 WeakPolarHBondContact O-CB 3.43Å; Y235-A239 PolarHBondContact O-N 2.99Å |
| 236 | I | 88.4 | Confident | 89.6 | Confident | 72 Ų | 72 | 94 Ų | 94 | 37% | 0.369 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 179.5 | -60.1 | 173.7 | 0 | 0 | 0 | 109.4 | G232 L233 N238 A239 L240 | G232-I236 PolarHBondContact O-N 3.25Å; L233-I236 PolarHBondContact O-N 3.23Å; I236-N238 PolarHBondContact O-N 2.77Å; I236-A239 PolarHBondContact O-N 3.3Å; I236-L240 VanDerWaalsContact O-CB 3.32Å; I236-L240 WeakPolarHBondContact O-CB 3.29Å; I236-L240 PolarHBondContact O-N 3.5Å |
| 237 | L | 92.5 | Very high | 89.5 | Confident | 106 Ų | 106 | 93.8 Ų | 93.8 | 56% | 0.555 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.3 | -43.2 | 179.5 | -73.8 | 171 | 0 | 0 | 0 | 111.8 | L233 G234 L240 G241 | L233-L237 HydrophobicContact CG-CD1 4.03Å; L233-L237 HydrophobicContact CG-CG 4.32Å; L233-L237 WeakPolarHBondContact O-CB 3.4Å; L233-L237 VanDerWaalsContact O-CG 3.25Å; L233-L237 WeakPolarHBondContact O-CG 2.71Å; L233-L237 PolarHBondContact O-N 3.42Å; G234-L237 PolarHBondContact O-N 2.89Å; L237-L240 PolarHBondContact O-N 3.16Å; L237-G241 PolarHBondContact O-N 3.34Å |
| 238 | N | 89 | Confident | 89.5 | Confident | 125 Ų | 125 | 99.3 Ų | 99.3 | 67% | 0.668 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65 | -43.6 | 176 | -71.8 | -28.9 | 0 | 0 | 0 | 111.4 | G234 Y235 I236 L240 G241 D242 | G234-N238 WeakPolarHBondContact O-CB 3.32Å; G234-N238 VanDerWaalsContact O-CG 3.27Å; G234-N238 PolarHBondContact O-N 3.06Å; G234-N238 PolarHBondContact O-ND2 3.43Å; Y235-N238 PolarHBondContact O-N 3.49Å; I236-N238 PolarHBondContact O-N 2.77Å; N238-L240 VanDerWaalsContact C-N 3.35Å; N238-L240 PolarHBondContact O-N 2.82Å; N238-G241 PolarHBondContact O-N 2.96Å; N238-D242 PolarHBondContact O-N 3.3Å |
| 239 | A | 91.6 | Very high | 89.6 | Confident | 53 Ų | 53 | 98 Ų | 98 | 44% | 0.438 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.7 | -37.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y235 I236 R243 | Y235-A239 VanDerWaalsContact O-CB 3.29Å; Y235-A239 WeakPolarHBondContact O-CB 3.43Å; Y235-A239 PolarHBondContact O-N 2.99Å; I236-A239 PolarHBondContact O-N 3.3Å; A239-R243 WeakPolarHBondContact O-CG 3.28Å; A239-R243 PolarHBondContact O-N 3.19Å |
| 240 | L | 92.8 | Very high | 89.6 | Confident | 105 Ų | 105 | 100.1 Ų | 100.1 | 55% | 0.55 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69 | -40.9 | 175.5 | -141.6 | 95 | 0 | 0 | 0 | 111 | I236 L237 N238 D242 R243 A244 | I236-L240 VanDerWaalsContact O-CB 3.32Å; I236-L240 WeakPolarHBondContact O-CB 3.29Å; I236-L240 PolarHBondContact O-N 3.5Å; L237-L240 PolarHBondContact O-N 3.16Å; N238-L240 VanDerWaalsContact C-N 3.35Å; N238-L240 PolarHBondContact O-N 2.82Å; L240-D242 VanDerWaalsContact C-N 3.35Å; L240-R243 PolarHBondContact O-N 3.02Å; L240-A244 VanDerWaalsContact O-CB 3.29Å; L240-A244 WeakPolarHBondContact O-CB 3.29Å; L240-A244 PolarHBondContact O-N 3.48Å |
| 241 | G | 92.4 | Very high | 89.4 | Confident | 39 Ų | 39 | 101 Ų | 101 | 40% | 0.402 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L237 N238 A244 S245 | L237-G241 PolarHBondContact O-N 3.34Å; N238-G241 PolarHBondContact O-N 2.96Å; G241-A244 PolarHBondContact O-N 3.08Å; G241-S245 PolarHBondContact O-N 3.41Å; G241-S245 PolarHBondContact O-OG 3.09Å |
| 242 | D | 91.3 | Very high | 89.6 | Confident | 117 Ų | 117 | 97.2 Ų | 97.2 | 63% | 0.626 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.8 | -37.6 | 177.3 | -163.7 | 47.3 | 0 | 0 | 0 | 112.4 | N238 L240 A244 S245 S246 | N238-D242 PolarHBondContact O-N 3.3Å; L240-D242 VanDerWaalsContact C-N 3.35Å; D242-A244 VanDerWaalsContact C-N 3.34Å; D242-A244 PolarHBondContact O-N 3.39Å; D242-S245 WeakPolarHBondContact CA-OG 3.49Å; D242-S245 PolarHBondContact O-OG 2.97Å; D242-S246 WeakPolarHBondContact O-CB 3.43Å; D242-S246 PolarHBondContact O-N 3.12Å |
| 243 | R | 90.7 | Very high | 89.6 | Confident | 190 Ų | 190 | 103.2 Ų | 103.2 | 72% | 0.717 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.5 | -34.7 | 170.8 | -70.5 | -146.5 | -71.1 | -170.7 | -3.5 | 112.6 | A239 L240 M247 | A239-R243 WeakPolarHBondContact O-CG 3.28Å; A239-R243 PolarHBondContact O-N 3.19Å; L240-R243 PolarHBondContact O-N 3.02Å; R243-M247 WeakPolarHBondContact O-CB 3.33Å; R243-M247 PolarHBondContact O-N 3.43Å |
| 244 | A | 90.8 | Very high | 89.4 | Confident | 55 Ų | 55 | 100.6 Ų | 100.6 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.1 | -41.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | L240 G241 D242 M247 K248 | L240-A244 VanDerWaalsContact O-CB 3.29Å; L240-A244 WeakPolarHBondContact O-CB 3.29Å; L240-A244 PolarHBondContact O-N 3.48Å; G241-A244 PolarHBondContact O-N 3.08Å; D242-A244 VanDerWaalsContact C-N 3.34Å; D242-A244 PolarHBondContact O-N 3.39Å; A244-M247 PolarHBondContact O-N 2.97Å; A244-K248 PolarHBondContact O-N 3.03Å |
| 245 | S | 87.1 | Confident | 89.2 | Confident | 53 Ų | 53 | 104 Ų | 104 | 37% | 0.371 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 174.4 | 60.8 | 0 | 0 | 0 | 0 | 111.2 | G241 D242 M247 K248 E249 | G241-S245 PolarHBondContact O-N 3.41Å; G241-S245 PolarHBondContact O-OG 3.09Å; D242-S245 WeakPolarHBondContact CA-OG 3.49Å; D242-S245 PolarHBondContact O-OG 2.97Å; S245-M247 VanDerWaalsContact C-N 3.32Å; S245-M247 PolarHBondContact O-N 3.06Å; S245-K248 WeakPolarHBondContact O-CB 3.48Å; S245-K248 PolarHBondContact O-N 3.49Å; S245-K248 VanDerWaalsContact O-N 3.14Å; S245-E249 PolarHBondContact O-N 3.24Å |
| 246 | S | 91.6 | Very high | 89.2 | Confident | 62 Ų | 62 | 101.9 Ų | 101.9 | 43% | 0.434 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.4 | -42.3 | 175.7 | -173.3 | 0 | 0 | 0 | 0 | 112.2 | D242 K248 E249 W250 | D242-S246 WeakPolarHBondContact O-CB 3.43Å; D242-S246 PolarHBondContact O-N 3.12Å; S246-K248 VanDerWaalsContact C-N 3.34Å; S246-K248 PolarHBondContact O-N 3.41Å; S246-E249 PolarHBondContact O-N 2.91Å; S246-W250 PolarHBondContact O-N 3.39Å |
| 247 | M | 87.2 | Confident | 88.9 | Confident | 120 Ų | 120 | 102 Ų | 102 | 59% | 0.591 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.8 | -35.1 | 177.3 | -165.9 | 168.9 | 67.8 | 0 | 0 | 112.2 | R243 A244 S245 W250 M251 | R243-M247 WeakPolarHBondContact O-CB 3.33Å; R243-M247 PolarHBondContact O-N 3.43Å; A244-M247 PolarHBondContact O-N 2.97Å; S245-M247 VanDerWaalsContact C-N 3.32Å; S245-M247 PolarHBondContact O-N 3.06Å; M247-W250 PolarHBondContact O-N 2.92Å; M247-M251 HydrophobicContact CG-CE 4.22Å; M247-M251 WeakPolarHBondContact O-CB 3.39Å; M247-M251 PolarHBondContact O-N 3Å |
| 248 | K | 89 | Confident | 88.6 | Confident | 139 Ų | 139 | 100.1 Ų | 100.1 | 60% | 0.604 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.1 | -44.5 | 174 | -175 | -177.3 | 177 | -175.6 | 0 | 111.6 | A244 S245 S246 M251 L252 | A244-K248 PolarHBondContact O-N 3.03Å; S245-K248 WeakPolarHBondContact O-CB 3.48Å; S245-K248 PolarHBondContact O-N 3.49Å; S245-K248 VanDerWaalsContact O-N 3.14Å; S246-K248 VanDerWaalsContact C-N 3.34Å; S246-K248 PolarHBondContact O-N 3.41Å; K248-M251 PolarHBondContact O-N 3.3Å; K248-L252 WeakPolarHBondContact O-CG 3.31Å; K248-L252 PolarHBondContact O-N 2.87Å |
| 249 | E | 90.6 | Very high | 88.5 | Confident | 140 Ų | 140 | 99.2 Ų | 99.2 | 65% | 0.654 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.8 | -43.1 | 175.6 | -70.4 | -174.9 | 179.1 | 0 | 0 | 112.1 | S245 S246 L252 K253 | S245-E249 PolarHBondContact O-N 3.24Å; S246-E249 PolarHBondContact O-N 2.91Å; E249-L252 PolarHBondContact O-N 3.4Å; E249-K253 WeakPolarHBondContact O-CB 3.41Å; E249-K253 PolarHBondContact O-N 2.82Å |
| 250 | W | 88.1 | Confident | 88.3 | Confident | 151 Ų | 151 | 103.8 Ų | 103.8 | 57% | 0.572 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.6 | -43 | 176.6 | -107.2 | 76.6 | 0 | 0 | 0 | 112.3 | S246 M247 L252 K253 I254 | S246-W250 PolarHBondContact O-N 3.39Å; M247-W250 PolarHBondContact O-N 2.92Å; W250-L252 VanDerWaalsContact C-N 3.35Å; W250-L252 PolarHBondContact O-N 2.86Å; W250-K253 PolarHBondContact O-N 3.39Å; W250-I254 HydrophobicContact CE3-CD1 3.69Å; W250-I254 HydrophobicContact CE3-CG1 4.32Å; W250-I254 HydrophobicContact CZ3-CD1 4.12Å; W250-I254 WeakPolarHBondContact O-CB 3.37Å; W250-I254 WeakPolarHBondContact O-CG1 3.39Å; W250-I254 PolarHBondContact O-N 3.48Å |
| 251 | M | 86.7 | Confident | 88 | Confident | 111 Ų | 111 | 106.3 Ų | 106.3 | 55% | 0.547 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.9 | -44 | 174.3 | -93.4 | -171 | -76.6 | 0 | 0 | 111.9 | M247 K248 K253 I254 H255 | M247-M251 HydrophobicContact CG-CE 4.22Å; M247-M251 WeakPolarHBondContact O-CB 3.39Å; M247-M251 PolarHBondContact O-N 3Å; K248-M251 PolarHBondContact O-N 3.3Å; M251-K253 PolarHBondContact O-N 3.03Å; M251-I254 PolarHBondContact O-N 3.38Å; M251-H255 WeakPolarHBondContact O-CB 3.36Å; M251-H255 PolarHBondContact O-N 3.5Å |
| 252 | L | 87.7 | Confident | 87.6 | Confident | 111 Ų | 111 | 107.5 Ų | 107.5 | 58% | 0.581 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.5 | -40.2 | 177.2 | -72.5 | 172.8 | 0 | 0 | 0 | 112 | K248 E249 W250 H255 N256 | K248-L252 WeakPolarHBondContact O-CG 3.31Å; K248-L252 PolarHBondContact O-N 2.87Å; E249-L252 PolarHBondContact O-N 3.4Å; W250-L252 VanDerWaalsContact C-N 3.35Å; W250-L252 PolarHBondContact O-N 2.86Å; L252-H255 PolarHBondContact O-N 3.14Å; L252-N256 WeakPolarHBondContact O-CB 3.41Å; L252-N256 PolarHBondContact O-N 2.88Å |
| 253 | K | 87.2 | Confident | 87.1 | Confident | 142 Ų | 142 | 104 Ų | 104 | 62% | 0.617 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.1 | -43.9 | 176.3 | -175.7 | 174.3 | -73.9 | 177.8 | 0 | 111.5 | E249 W250 M251 N256 L257 | E249-K253 WeakPolarHBondContact O-CB 3.41Å; E249-K253 PolarHBondContact O-N 2.82Å; W250-K253 PolarHBondContact O-N 3.39Å; M251-K253 PolarHBondContact O-N 3.03Å; K253-N256 PolarHBondContact O-N 3.39Å; K253-L257 HydrophobicContact CG-CD1 4.49Å; K253-L257 WeakPolarHBondContact O-CG 3.15Å; K253-L257 PolarHBondContact O-N 2.84Å |
| 254 | I | 85 | Confident | 86.7 | Confident | 43 Ų | 43 | 98.9 Ų | 98.9 | 22% | 0.221 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 176.2 | -80 | 169.8 | 0 | 0 | 0 | 110.7 | W250 M251 N256 L257 Q258 L268 I272 | W250-I254 HydrophobicContact CE3-CD1 3.69Å; W250-I254 HydrophobicContact CE3-CG1 4.32Å; W250-I254 HydrophobicContact CZ3-CD1 4.12Å; W250-I254 WeakPolarHBondContact O-CB 3.37Å; W250-I254 WeakPolarHBondContact O-CG1 3.39Å; W250-I254 PolarHBondContact O-N 3.48Å; M251-I254 PolarHBondContact O-N 3.38Å; I254-N256 VanDerWaalsContact C-N 3.33Å; I254-N256 PolarHBondContact O-N 3.29Å; I254-L257 PolarHBondContact O-N 3.06Å; I254-Q258 WeakPolarHBondContact O-CB 3.33Å; I254-Q258 PolarHBondContact O-N 3.47Å; I254-L268 HydrophobicContact CB-CD2 4.26Å; I254-L268 HydrophobicContact CG1-CD2 4.17Å; I254-L268 HydrophobicContact CG2-CD2 3.31Å; I254-I272 HydrophobicContact CD1-CD1 4.32Å |
| 255 | H | 85 | Confident | 86.2 | Confident | 99 Ų | 99 | 100.4 Ų | 100.4 | 46% | 0.458 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 179.9 | -175.9 | 39.5 | 0 | 0 | 0 | 111.6 | M251 L252 L257 Q258 D259 | M251-H255 WeakPolarHBondContact O-CB 3.36Å; M251-H255 PolarHBondContact O-N 3.5Å; L252-H255 PolarHBondContact O-N 3.14Å; H255-L257 PolarHBondContact O-N 3.3Å; H255-Q258 WeakPolarHBondContact O-CB 3.41Å; H255-Q258 PolarHBondContact O-N 3.2Å; H255-Q258 VanDerWaalsContact O-N 3.17Å; H255-D259 IonicContact CE1-OD1 3.43Å; H255-D259 PolarHBondContact CE1-OD1 3.29Å; H255-D259 IonicContact CE1-OD2 3.68Å; H255-D259 PolarHBondContact CE1-OD2 2.79Å; H255-D259 IonicContact ND1-OD1 3.98Å; H255-D259 IonicContact ND1-OD2 3.32Å; H255-D259 IonicContact NE2-OD2 3.58Å; H255-D259 PolarHBondContact O-N 3Å |
| 256 | N | 87.8 | Confident | 86 | Confident | 106 Ų | 106 | 102.5 Ų | 102.5 | 57% | 0.567 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.1 | -42.3 | 174.7 | -172.4 | -23.6 | 0 | 0 | 0 | 112.3 | L252 K253 I254 Q258 D259 K260 | L252-N256 WeakPolarHBondContact O-CB 3.41Å; L252-N256 PolarHBondContact O-N 2.88Å; K253-N256 PolarHBondContact O-N 3.39Å; I254-N256 VanDerWaalsContact C-N 3.33Å; I254-N256 PolarHBondContact O-N 3.29Å; N256-Q258 VanDerWaalsContact C-N 3.31Å; N256-Q258 PolarHBondContact O-N 3.43Å; N256-D259 PolarHBondContact O-N 3.44Å; N256-K260 VanDerWaalsContact O-CB 3.3Å; N256-K260 WeakPolarHBondContact O-CB 2.91Å; N256-K260 PolarHBondContact O-N 3.17Å |
| 257 | L | 83.9 | Confident | 85.6 | Confident | 74 Ų | 74 | 105 Ų | 105 | 39% | 0.387 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 173.9 | -71.1 | 173.3 | 0 | 0 | 0 | 111.9 | K253 I254 H255 Y261 | K253-L257 HydrophobicContact CG-CD1 4.49Å; K253-L257 WeakPolarHBondContact O-CG 3.15Å; K253-L257 PolarHBondContact O-N 2.84Å; I254-L257 PolarHBondContact O-N 3.06Å; H255-L257 PolarHBondContact O-N 3.3Å; L257-Y261 HydrophobicContact CD2-CD2 4.46Å; L257-Y261 HydrophobicContact CD2-CE2 4.14Å; L257-Y261 WeakPolarHBondContact O-CD2 3.4Å; L257-Y261 PolarHBondContact O-N 3.47Å |
| 258 | Q | 85.3 | Confident | 85.3 | Confident | 67 Ų | 67 | 100.4 Ų | 100.4 | 31% | 0.313 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 176.9 | -157.5 | -177.8 | -57.5 | 0 | 0 | 111.1 | I254 H255 N256 G262 L263 | I254-Q258 WeakPolarHBondContact O-CB 3.33Å; I254-Q258 PolarHBondContact O-N 3.47Å; H255-Q258 WeakPolarHBondContact O-CB 3.41Å; H255-Q258 PolarHBondContact O-N 3.2Å; H255-Q258 VanDerWaalsContact O-N 3.17Å; N256-Q258 VanDerWaalsContact C-N 3.31Å; N256-Q258 PolarHBondContact O-N 3.43Å; Q258-G262 CarbonylContact O-C 3.59Å; Q258-G262 WeakPolarHBondContact O-CA 3.38Å; Q258-G262 PolarHBondContact O-N 3.46Å; Q258-L263 WeakPolarHBondContact CG-O 3.28Å; Q258-L263 PolarHBondContact O-N 3.42Å |
| 259 | D | 87.5 | Confident | 85 | Confident | 106 Ų | 106 | 98.9 Ų | 98.9 | 57% | 0.567 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.5 | -40.3 | 179.8 | -74 | -1.4 | 0 | 0 | 0 | 112.1 | H255 N256 Y261 | H255-D259 IonicContact CE1-OD1 3.43Å; H255-D259 PolarHBondContact CE1-OD1 3.29Å; H255-D259 IonicContact CE1-OD2 3.68Å; H255-D259 PolarHBondContact CE1-OD2 2.79Å; H255-D259 IonicContact ND1-OD1 3.98Å; H255-D259 IonicContact ND1-OD2 3.32Å; H255-D259 IonicContact NE2-OD2 3.58Å; H255-D259 PolarHBondContact O-N 3Å; N256-D259 PolarHBondContact O-N 3.44Å; D259-Y261 PolarHBondContact O-N 3.46Å |
| 260 | K | 87.5 | Confident | 84.8 | Confident | 149 Ų | 149 | 97.4 Ų | 97.4 | 65% | 0.648 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -69.1 | -32.8 | -176.9 | -169.3 | 174 | -174.9 | -178 | 0 | 113.4 | N256 | N256-K260 VanDerWaalsContact O-CB 3.3Å; N256-K260 WeakPolarHBondContact O-CB 2.91Å; N256-K260 PolarHBondContact O-N 3.17Å |
| 261 | Y | 85.2 | Confident | 84.5 | Confident | 159 Ų | 159 | 94.6 Ų | 94.6 | 62% | 0.624 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -118.8 | 1.6 | -174.6 | -64.5 | -78.7 | 0 | 0 | 0 | 113.4 | L257 D259 L263 | L257-Y261 HydrophobicContact CD2-CD2 4.46Å; L257-Y261 HydrophobicContact CD2-CE2 4.14Å; L257-Y261 WeakPolarHBondContact O-CD2 3.4Å; L257-Y261 PolarHBondContact O-N 3.47Å; D259-Y261 PolarHBondContact O-N 3.46Å; Y261-L263 VanDerWaalsContact C-N 3.26Å; Y261-L263 HydrophobicContact CD2-CD1 4.37Å; Y261-L263 HydrophobicContact CG-CD1 4.25Å; Y261-L263 PolarHBondContact O-N 3.12Å |
| 262 | G | 84 | Confident | 84.3 | Confident | 63 Ų | 63 | 91.7 Ų | 91.7 | 65% | 0.649 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 27.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q258 | Q258-G262 CarbonylContact O-C 3.59Å; Q258-G262 WeakPolarHBondContact O-CA 3.38Å; Q258-G262 PolarHBondContact O-N 3.46Å |
| 263 | L | 80.4 | Confident | 84.3 | Confident | 43 Ų | 43 | 90.7 Ų | 90.7 | 23% | 0.225 | 46% | 0.461 | C | S | . | . | trans | -67.4 | 140.2 | -178 | -66.5 | 111.7 | 0 | 0 | 0 | 110.7 | Q258 Y261 Q267 I271 | Q258-L263 WeakPolarHBondContact CG-O 3.28Å; Q258-L263 PolarHBondContact O-N 3.42Å; Y261-L263 VanDerWaalsContact C-N 3.26Å; Y261-L263 HydrophobicContact CD2-CD1 4.37Å; Y261-L263 HydrophobicContact CG-CD1 4.25Å; Y261-L263 PolarHBondContact O-N 3.12Å; L263-Q267 HydrophobicContact CD2-CB 4.45Å; L263-I271 HydrophobicContact CD2-CD1 3.83Å | ||
| 264 | T | 82.8 | Confident | 84.2 | Confident | 84 Ų | 84 | 85.2 Ų | 85.2 | 52% | 0.515 | 45% | 0.445 | S | S | . | . | trans | -80.7 | 153.5 | 168.5 | 52.4 | 0 | 0 | 0 | 0 | 110.5 | E266 Q267 L268 | T264-E266 PolarHBondContact O-N 2.94Å; T264-E266 VanDerWaalsContact O-N 3.12Å; T264-Q267 PolarHBondContact O-N 3.47Å; T264-Q267 VanDerWaalsContact OG1-CG 3.31Å; T264-Q267 WeakPolarHBondContact OG1-CG 3.47Å; T264-L268 PolarHBondContact O-N 2.95Å; T264-L268 VanDerWaalsContact O-N 3.09Å | ||
| 265 | S | 80.5 | Confident | 84.1 | Confident | 86 Ų | 86 | 85.6 Ų | 85.6 | 60% | 0.601 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -53.4 | -33.8 | 179.5 | 50 | 0 | 0 | 0 | 0 | 112.9 | K269 | S265-K269 VanDerWaalsContact O-CB 3.28Å; S265-K269 WeakPolarHBondContact O-CB 3.41Å; S265-K269 PolarHBondContact O-N 2.87Å |
| 266 | E | 83.5 | Confident | 84.1 | Confident | 97 Ų | 97 | 85.2 Ų | 85.2 | 45% | 0.453 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -71.9 | -38.8 | 178.1 | -156.3 | 59 | -146 | 0 | 0 | 112.5 | T264 K269 Q270 | T264-E266 PolarHBondContact O-N 2.94Å; T264-E266 VanDerWaalsContact O-N 3.12Å; E266-K269 PolarHBondContact O-N 2.91Å; E266-K269 IonicContact OE1-NZ 2.61Å; E266-Q270 WeakPolarHBondContact O-CG 3.38Å; E266-Q270 PolarHBondContact O-N 3.36Å; E266-Q270 VanDerWaalsContact O-N 3.08Å |
| 267 | Q | 82.5 | Confident | 84 | Confident | 115 Ų | 115 | 88.3 Ų | 88.3 | 54% | 0.537 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.6 | -45 | 176.1 | -68.8 | -65.1 | -46.8 | 0 | 0 | 111 | L263 T264 K269 Q270 I271 | L263-Q267 HydrophobicContact CD2-CB 4.45Å; T264-Q267 PolarHBondContact O-N 3.47Å; T264-Q267 VanDerWaalsContact OG1-CG 3.31Å; T264-Q267 WeakPolarHBondContact OG1-CG 3.47Å; Q267-K269 VanDerWaalsContact C-N 3.31Å; Q267-K269 PolarHBondContact O-N 3.31Å; Q267-Q270 PolarHBondContact O-N 3.09Å; Q267-I271 WeakPolarHBondContact O-CG1 3.49Å; Q267-I271 PolarHBondContact O-N 3.03Å; Q267-I271 VanDerWaalsContact O-N 3.09Å |
| 268 | L | 81.2 | Confident | 83.8 | Confident | 23 Ų | 23 | 91.9 Ų | 91.9 | 12% | 0.12 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 177.3 | -172.1 | 72.7 | 0 | 0 | 0 | 111.6 | I254 T264 Q270 I271 I272 | I254-L268 HydrophobicContact CB-CD2 4.26Å; I254-L268 HydrophobicContact CG1-CD2 4.17Å; I254-L268 HydrophobicContact CG2-CD2 3.31Å; T264-L268 PolarHBondContact O-N 2.95Å; T264-L268 VanDerWaalsContact O-N 3.09Å; L268-Q270 VanDerWaalsContact C-N 3.35Å; L268-Q270 PolarHBondContact O-N 3.45Å; L268-I271 PolarHBondContact O-N 3.33Å; L268-I272 HydrophobicContact CD2-CD1 4.29Å; L268-I272 HydrophobicContact CG-CD1 3.95Å; L268-I272 HydrophobicContact CG-CG1 4.49Å; L268-I272 WeakPolarHBondContact O-CG1 3.5Å; L268-I272 PolarHBondContact O-N 3.47Å |
| 269 | K | 82.9 | Confident | 83.8 | Confident | 107 Ų | 107 | 97.7 Ų | 97.7 | 47% | 0.465 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 176.6 | -177.6 | -178.7 | 173.5 | -164.2 | 0 | 112 | S265 E266 Q267 I271 I272 I273 | S265-K269 VanDerWaalsContact O-CB 3.28Å; S265-K269 WeakPolarHBondContact O-CB 3.41Å; S265-K269 PolarHBondContact O-N 2.87Å; E266-K269 PolarHBondContact O-N 2.91Å; E266-K269 IonicContact OE1-NZ 2.61Å; Q267-K269 VanDerWaalsContact C-N 3.31Å; Q267-K269 PolarHBondContact O-N 3.31Å; K269-I271 VanDerWaalsContact C-N 3.33Å; K269-I271 PolarHBondContact O-N 2.94Å; K269-I272 PolarHBondContact O-N 3.2Å; K269-I273 HydrophobicContact CG-CD1 3.85Å; K269-I273 WeakPolarHBondContact O-CB 3.36Å; K269-I273 VanDerWaalsContact O-CG1 3.28Å; K269-I273 WeakPolarHBondContact O-CG1 3.3Å; K269-I273 PolarHBondContact O-N 2.92Å |
| 270 | Q | 85.7 | Confident | 83.4 | Confident | 109 Ų | 109 | 101.8 Ų | 101.8 | 51% | 0.509 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 175.7 | -68.5 | -62.9 | -25.1 | 0 | 0 | 111.9 | E266 Q267 L268 G274 | E266-Q270 WeakPolarHBondContact O-CG 3.38Å; E266-Q270 PolarHBondContact O-N 3.36Å; E266-Q270 VanDerWaalsContact O-N 3.08Å; Q267-Q270 PolarHBondContact O-N 3.09Å; L268-Q270 VanDerWaalsContact C-N 3.35Å; L268-Q270 PolarHBondContact O-N 3.45Å; Q270-G274 PolarHBondContact O-N 3.26Å |
| 271 | I | 81.7 | Confident | 83.2 | Confident | 92 Ų | 92 | 98.4 Ų | 98.4 | 47% | 0.472 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.3 | -46.2 | 176.8 | -66.5 | 168.1 | 0 | 0 | 0 | 111 | L263 Q267 L268 K269 G274 S275 | L263-I271 HydrophobicContact CD2-CD1 3.83Å; Q267-I271 WeakPolarHBondContact O-CG1 3.49Å; Q267-I271 PolarHBondContact O-N 3.03Å; Q267-I271 VanDerWaalsContact O-N 3.09Å; L268-I271 PolarHBondContact O-N 3.33Å; K269-I271 VanDerWaalsContact C-N 3.33Å; K269-I271 PolarHBondContact O-N 2.94Å; I271-G274 PolarHBondContact O-N 3.49Å; I271-S275 PolarHBondContact O-N 3.03Å; I271-S275 PolarHBondContact O-OG 3.5Å |
| 272 | I | 83.5 | Confident | 82.9 | Confident | 51 Ų | 51 | 95.4 Ų | 95.4 | 26% | 0.262 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | -179.4 | -66.5 | 169.7 | 0 | 0 | 0 | 111.2 | I254 L268 K269 G274 S275 N276 | I254-I272 HydrophobicContact CD1-CD1 4.32Å; L268-I272 HydrophobicContact CD2-CD1 4.29Å; L268-I272 HydrophobicContact CG-CD1 3.95Å; L268-I272 HydrophobicContact CG-CG1 4.49Å; L268-I272 WeakPolarHBondContact O-CG1 3.5Å; L268-I272 PolarHBondContact O-N 3.47Å; K269-I272 PolarHBondContact O-N 3.2Å; I272-G274 VanDerWaalsContact C-N 3.34Å; I272-S275 WeakPolarHBondContact CA-OG 3.49Å; I272-S275 PolarHBondContact O-N 2.91Å; I272-S275 PolarHBondContact O-OG 3.21Å; I272-N276 WeakPolarHBondContact O-CB 3.46Å; I272-N276 PolarHBondContact O-N 3.01Å |
| 273 | I | 86.2 | Confident | 82.7 | Confident | 90 Ų | 90 | 95.7 Ų | 95.7 | 46% | 0.462 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 176.5 | -68.9 | 170.5 | 0 | 0 | 0 | 109.9 | K269 S275 N276 R277 | K269-I273 HydrophobicContact CG-CD1 3.85Å; K269-I273 WeakPolarHBondContact O-CB 3.36Å; K269-I273 VanDerWaalsContact O-CG1 3.28Å; K269-I273 WeakPolarHBondContact O-CG1 3.3Å; K269-I273 PolarHBondContact O-N 2.92Å; I273-S275 VanDerWaalsContact C-N 3.34Å; I273-S275 PolarHBondContact O-N 3.2Å; I273-N276 PolarHBondContact O-N 2.95Å; I273-R277 PolarHBondContact O-N 3.36Å |
| 274 | G | 87.1 | Confident | 82.5 | Confident | 27 Ų | 27 | 100.6 Ų | 100.6 | 28% | 0.278 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.7 | -39.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q270 I271 I272 R278 | Q270-G274 PolarHBondContact O-N 3.26Å; I271-G274 PolarHBondContact O-N 3.49Å; I272-G274 VanDerWaalsContact C-N 3.34Å; G274-R278 PolarHBondContact O-N 3.3Å |
| 275 | S | 82.7 | Confident | 81.9 | Confident | 50 Ų | 50 | 101.7 Ų | 101.7 | 35% | 0.35 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.7 | -39.9 | 177 | 68 | 0 | 0 | 0 | 0 | 112.4 | I271 I272 I273 R277 R278 R279 | I271-S275 PolarHBondContact O-N 3.03Å; I271-S275 PolarHBondContact O-OG 3.5Å; I272-S275 WeakPolarHBondContact CA-OG 3.49Å; I272-S275 PolarHBondContact O-N 2.91Å; I272-S275 PolarHBondContact O-OG 3.21Å; I273-S275 VanDerWaalsContact C-N 3.34Å; I273-S275 PolarHBondContact O-N 3.2Å; S275-R277 VanDerWaalsContact C-N 3.33Å; S275-R277 PolarHBondContact O-N 3.31Å; S275-R278 PolarHBondContact O-N 3.43Å; S275-R279 PolarHBondContact O-N 3.17Å; S275-R279 VanDerWaalsContact O-N 3.11Å |
| 276 | N | 84.8 | Confident | 81.2 | Confident | 91 Ų | 91 | 101.2 Ų | 101.2 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.4 | -35.5 | 177.9 | -79.8 | -13.8 | 0 | 0 | 0 | 112.1 | I272 I273 R279 R280 | I272-N276 WeakPolarHBondContact O-CB 3.46Å; I272-N276 PolarHBondContact O-N 3.01Å; I273-N276 PolarHBondContact O-N 2.95Å; N276-R279 PolarHBondContact O-N 3.44Å; N276-R280 PolarHBondContact O-N 2.84Å |
| 277 | R | 86.1 | Confident | 80.1 | Confident | 171 Ų | 171 | 99.5 Ų | 99.5 | 65% | 0.645 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.5 | -49 | 175.6 | -157.5 | -176.6 | 91.8 | 176.8 | 0.1 | 111.4 | I273 S275 R279 R280 E281 | I273-R277 PolarHBondContact O-N 3.36Å; S275-R277 VanDerWaalsContact C-N 3.33Å; S275-R277 PolarHBondContact O-N 3.31Å; R277-R279 PolarHBondContact O-N 3.47Å; R277-R280 PolarHBondContact O-N 3.01Å; R277-E281 IonicContact CZ-OE1 3.6Å; R277-E281 IonicContact NE-OE1 3.63Å; R277-E281 PolarHBondContact NE-OE1 3.49Å; R277-E281 IonicContact NH2-OE1 2.95Å; R277-E281 WeakPolarHBondContact O-CG 3.46Å; R277-E281 PolarHBondContact O-N 3.28Å; R277-E281 VanDerWaalsContact O-N 3.1Å |
| 278 | R | 79.6 | Confident | 78.8 | Confident | 150 Ų | 150 | 97.1 Ų | 97.1 | 57% | 0.566 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58.3 | -45 | 177 | -76.2 | -170.8 | -72.8 | -98.6 | 0.9 | 112.6 | G274 S275 R280 E281 D282 | G274-R278 PolarHBondContact O-N 3.3Å; S275-R278 PolarHBondContact O-N 3.43Å; R278-R280 VanDerWaalsContact C-N 3.26Å; R278-R280 PolarHBondContact O-N 3.26Å; R278-E281 WeakPolarHBondContact O-CB 3.46Å; R278-E281 PolarHBondContact O-N 2.98Å; R278-E281 VanDerWaalsContact O-N 3.1Å; R278-D282 PolarHBondContact O-N 3.1Å |
| 279 | R | 84.5 | Confident | 77.4 | Confident | 188 Ų | 188 | 103.7 Ų | 103.7 | 71% | 0.709 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.4 | -33.8 | 179 | -163 | 178.5 | -172.6 | -161.5 | 1.3 | 113 | S275 N276 R277 S283 | S275-R279 PolarHBondContact O-N 3.17Å; S275-R279 VanDerWaalsContact O-N 3.11Å; N276-R279 PolarHBondContact O-N 3.44Å; R277-R279 PolarHBondContact O-N 3.47Å; R279-S283 WeakPolarHBondContact O-CB 3.48Å; R279-S283 PolarHBondContact O-N 3.41Å; R279-S283 VanDerWaalsContact O-N 3.13Å; R279-S283 PolarHBondContact O-OG 3.1Å |
| 280 | R | 80 | Confident | 75.7 | Confident | 193 Ų | 193 | 105.9 Ų | 105.9 | 73% | 0.728 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.9 | -42 | 174 | -76.3 | -175.1 | 178.9 | -171.8 | -0.3 | 111.8 | N276 R277 R278 D282 S283 Q284 | N276-R280 PolarHBondContact O-N 2.84Å; R277-R280 PolarHBondContact O-N 3.01Å; R278-R280 VanDerWaalsContact C-N 3.26Å; R278-R280 PolarHBondContact O-N 3.26Å; R280-D282 VanDerWaalsContact C-N 3.34Å; R280-D282 PolarHBondContact O-N 3.13Å; R280-S283 PolarHBondContact O-N 2.78Å; R280-Q284 WeakPolarHBondContact O-CG 3.48Å; R280-Q284 PolarHBondContact O-N 3.11Å |
| 281 | E | 81.7 | Confident | 73.6 | Confident | 77 Ų | 77 | 105.4 Ų | 105.4 | 36% | 0.36 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59 | -45.8 | 176.2 | -67.7 | 164.1 | -175 | 0 | 0 | 110.4 | R277 R278 S283 Q284 L285 | R277-E281 IonicContact CZ-OE1 3.6Å; R277-E281 IonicContact NE-OE1 3.63Å; R277-E281 PolarHBondContact NE-OE1 3.49Å; R277-E281 IonicContact NH2-OE1 2.95Å; R277-E281 WeakPolarHBondContact O-CG 3.46Å; R277-E281 PolarHBondContact O-N 3.28Å; R277-E281 VanDerWaalsContact O-N 3.1Å; R278-E281 WeakPolarHBondContact O-CB 3.46Å; R278-E281 PolarHBondContact O-N 2.98Å; R278-E281 VanDerWaalsContact O-N 3.1Å; E281-S283 PolarHBondContact O-N 3.48Å; E281-Q284 PolarHBondContact O-N 3.03Å; E281-L285 WeakPolarHBondContact O-CG 3.5Å; E281-L285 PolarHBondContact O-N 3.45Å |
| 282 | D | 80.4 | Confident | 71.4 | Confident | 96 Ų | 96 | 110.7 Ų | 110.7 | 51% | 0.513 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.8 | -37.3 | 177.3 | -62.3 | -25.2 | 0 | 0 | 0 | 113.2 | R278 R280 L285 S286 | R278-D282 PolarHBondContact O-N 3.1Å; R280-D282 VanDerWaalsContact C-N 3.34Å; R280-D282 PolarHBondContact O-N 3.13Å; D282-L285 PolarHBondContact O-N 3.31Å; D282-S286 WeakPolarHBondContact O-CB 3.42Å; D282-S286 PolarHBondContact O-N 3.43Å; D282-S286 PolarHBondContact O-OG 2.89Å |
| 283 | S | 78.2 | Confident | 69.2 | Low | 69 Ų | 69 | 113.6 Ų | 113.6 | 48% | 0.483 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.9 | -36.6 | 178.4 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | R279 R280 E281 S286 A287 | R279-S283 WeakPolarHBondContact O-CB 3.48Å; R279-S283 PolarHBondContact O-N 3.41Å; R279-S283 VanDerWaalsContact O-N 3.13Å; R279-S283 PolarHBondContact O-OG 3.1Å; R280-S283 PolarHBondContact O-N 2.78Å; E281-S283 PolarHBondContact O-N 3.48Å; S283-S286 PolarHBondContact O-N 2.94Å; S283-A287 WeakPolarHBondContact O-CB 3.49Å; S283-A287 PolarHBondContact O-N 3.45Å |
| 284 | Q | 76.3 | Confident | 66.9 | Low | 146 Ų | 146 | 114.8 Ų | 114.8 | 68% | 0.682 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.5 | -40.9 | 175.1 | -74.1 | -171.8 | -33 | 0 | 0 | 111.9 | R280 E281 S286 A287 A288 | R280-Q284 WeakPolarHBondContact O-CG 3.48Å; R280-Q284 PolarHBondContact O-N 3.11Å; E281-Q284 PolarHBondContact O-N 3.03Å; Q284-S286 VanDerWaalsContact C-N 3.3Å; Q284-S286 PolarHBondContact O-N 3.47Å; Q284-A287 PolarHBondContact O-N 3.33Å; Q284-A288 WeakPolarHBondContact O-CB 3.35Å; Q284-A288 PolarHBondContact O-N 2.98Å |
| 285 | L | 71.3 | Confident | 64.5 | Low | 108 Ų | 108 | 121.6 Ų | 121.6 | 57% | 0.565 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -59.1 | -43 | 172.8 | -77.5 | 157.9 | 0 | 0 | 0 | 111.3 | E281 D282 A288 H289 | E281-L285 WeakPolarHBondContact O-CG 3.5Å; E281-L285 PolarHBondContact O-N 3.45Å; D282-L285 PolarHBondContact O-N 3.31Å; L285-A288 PolarHBondContact O-N 2.9Å; L285-H289 PolarHBondContact O-CD2 3.47Å; L285-H289 VanDerWaalsContact O-CD2 3.3Å; L285-H289 PolarHBondContact O-N 2.98Å; L285-H289 VanDerWaalsContact O-N 3.11Å |
| 286 | S | 65.5 | Low | 62.5 | Low | 76 Ų | 76 | 122.9 Ų | 122.9 | 53% | 0.531 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -66.9 | -40.8 | 177.3 | -57.1 | 0 | 0 | 0 | 0 | 112.7 | D282 S283 Q284 H289 Q290 | D282-S286 WeakPolarHBondContact O-CB 3.42Å; D282-S286 PolarHBondContact O-N 3.43Å; D282-S286 PolarHBondContact O-OG 2.89Å; S283-S286 PolarHBondContact O-N 2.94Å; Q284-S286 VanDerWaalsContact C-N 3.3Å; Q284-S286 PolarHBondContact O-N 3.47Å; S286-H289 PolarHBondContact O-N 3.3Å; S286-Q290 PolarHBondContact O-N 3.02Å |
| 287 | A | 59.3 | Low | 59.9 | Low | 61 Ų | 61 | 127 Ų | 127 | 50% | 0.504 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -66.6 | -39.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S283 Q284 H289 Q290 S291 | S283-A287 WeakPolarHBondContact O-CB 3.49Å; S283-A287 PolarHBondContact O-N 3.45Å; Q284-A287 PolarHBondContact O-N 3.33Å; A287-H289 PolarHBondContact O-N 3.26Å; A287-Q290 PolarHBondContact O-N 3.26Å; A287-S291 PolarHBondContact O-N 3.11Å; A287-S291 PolarHBondContact O-OG 3.07Å |
| 288 | A | 56.1 | Low | 57.3 | Low | 64 Ų | 64 | 127 Ų | 127 | 53% | 0.529 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -62.3 | -33.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q284 L285 Q290 S291 | Q284-A288 WeakPolarHBondContact O-CB 3.35Å; Q284-A288 PolarHBondContact O-N 2.98Å; L285-A288 PolarHBondContact O-N 2.9Å; A288-Q290 VanDerWaalsContact C-N 3.29Å; A288-Q290 PolarHBondContact O-N 3.37Å; A288-S291 PolarHBondContact O-OG 3.3Å |
| 289 | H | 51.8 | Low | 55.5 | Low | 162 Ų | 162 | 125 Ų | 125 | 75% | 0.75 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -71.2 | -19.2 | 173.3 | -92 | -106.5 | 0 | 0 | 0 | 113.9 | L285 S286 A287 | L285-H289 PolarHBondContact O-CD2 3.47Å; L285-H289 VanDerWaalsContact O-CD2 3.3Å; L285-H289 PolarHBondContact O-N 2.98Å; L285-H289 VanDerWaalsContact O-N 3.11Å; S286-H289 PolarHBondContact O-N 3.3Å; A287-H289 PolarHBondContact O-N 3.26Å |
| 290 | Q | 47.3 | Very low | 53.5 | Low | 153 Ų | 153 | 125 Ų | 125 | 72% | 0.715 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -95.8 | -16.1 | -178 | -153.4 | 157.1 | 8 | 0 | 0 | 113.6 | S286 A287 A288 Y292 | S286-Q290 PolarHBondContact O-N 3.02Å; A287-Q290 PolarHBondContact O-N 3.26Å; A288-Q290 VanDerWaalsContact C-N 3.29Å; A288-Q290 PolarHBondContact O-N 3.37Å; Q290-Y292 PolarHBondContact O-N 3.28Å |
| 291 | S | 41.8 | Very low | 51.3 | Low | 99 Ų | 99 | 122.4 Ų | 122.4 | 69% | 0.692 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -71.4 | 12.7 | 169.7 | 29.4 | 0 | 0 | 0 | 0 | 114.9 | A287 A288 | A287-S291 PolarHBondContact O-N 3.11Å; A287-S291 PolarHBondContact O-OG 3.07Å; A288-S291 PolarHBondContact O-OG 3.3Å |
| 292 | Y | 36.3 | Very low | 49.2 | Very low | 202 Ų | 202 | 126.9 Ų | 126.9 | 79% | 0.792 | 70% | 0.703 | S | S | * | * | trans | -121.9 | 65.8 | 173.7 | -148.6 | -89.8 | 0 | 0 | 0 | 110.5 | Q290 | Q290-Y292 PolarHBondContact O-N 3.28Š| ||
| 293 | T | 36.7 | Very low | 47.3 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 69% | 0.687 | 74% | 0.737 | S | S | * | * | trans | -125.9 | 111 | 160.9 | 57.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 294 | P | 37.4 | Very low | 45.7 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | trans | -62.5 | 136.6 | -177.2 | -19.4 | 30.6 | 0 | 0 | 0 | 112 | G296 | P294-G296 PolarHBondContact O-N 3.4Š| ||
| 295 | D | 37 | Very low | 44.1 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 91% | 0.909 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -48.9 | 124.2 | 174.8 | -52.1 | -52 | 0 | 0 | 0 | 111.5 | ||
| 296 | G | 39.4 | Very low | 42.6 | Very low | 77 Ų | 77 | 139.3 Ų | 139.3 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | 167.2 | -4.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | P294 | P294-G296 PolarHBondContact O-N 3.4Š| ||
| 297 | F | 31.7 | Very low | 41.3 | Very low | 178 Ų | 178 | 143 Ų | 143 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -128.5 | -15.3 | -174.9 | -159.3 | -104.3 | 0 | 0 | 0 | 118.1 | ||
| 298 | F | 31.8 | Very low | 40.2 | Very low | 169 Ų | 169 | 148.1 Ų | 148.1 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -117.7 | 14.6 | -178.4 | -90.6 | -77.3 | 0 | 0 | 0 | 116.2 | F300 | F298-F300 VanDerWaalsContact C-N 3.3Å; F298-F300 PolarHBondContact O-N 3.44Å |
| 299 | A | 41.6 | Very low | 39.1 | Very low | 109 Ų | 109 | 153.7 Ų | 153.7 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | 19.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 300 | F | 41.8 | Very low | 38.2 | Very low | 188 Ų | 188 | 153.1 Ų | 153.1 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.6 | 8.3 | 178.1 | -168 | -104.2 | 0 | 0 | 0 | 114.5 | F298 | F298-F300 VanDerWaalsContact C-N 3.3Å; F298-F300 PolarHBondContact O-N 3.44Å |
| 301 | I | 34.3 | Very low | 37.5 | Very low | 139 Ų | 139 | 153.2 Ų | 153.2 | 71% | 0.713 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -130.9 | 67.6 | 172 | -50.6 | -174.8 | 0 | 0 | 0 | 109.1 | ||
| 302 | D | 37.5 | Very low | 37.1 | Very low | 170 Ų | 170 | 157.7 Ų | 157.7 | 91% | 0.909 | 84% | 0.836 | S | S | * | * | trans | -171.5 | 74 | 139.6 | -129.7 | 3.4 | 0 | 0 | 0 | 108.3 | ||||
| 303 | Q | 40 | Very low | 37.2 | Very low | 262 Ų | 262 | 153.6 Ų | 153.6 | 100% | 1.224 | 84% | 0.84 | S | S | * | * | trans | -138.1 | 0 | 162.6 | -149 | -178.3 | 28.7 | 0 | 0 | 106.5 |
Retrieved 303 of 303 residues in 194.7 ms
(Link to these results)