| 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 | 51.3 | Low | 60.2 | Low | 135 Ų | 135 | 77.8 Ų | 77.8 | 67% | 0.665 | 45% | 0.445 | S | S | * | . | 0 | -49.8 | 0 | -78.1 | -164.7 | -65.7 | 0 | 0 | 110.4 | L4 I5 | M1-L4 WeakPolarHBondContact O-CB 3.41Å; M1-L4 PolarHBondContact O-N 3.48Å; M1-I5 PolarHBondContact O-N 3.07Å; M1-I5 VanDerWaalsContact O-N 3.09Å | |||
| 2 | E | 56.7 | Low | 59.7 | Low | 163 Ų | 163 | 81.3 Ų | 81.3 | 76% | 0.762 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -57.8 | -48.6 | 175.7 | -67.6 | 171.8 | 146.1 | 0 | 0 | 112.4 | L4 I5 T6 | E2-L4 VanDerWaalsContact C-N 3.34Å; E2-L4 PolarHBondContact O-N 3.15Å; E2-I5 CarbonylContact O-C 3.59Å; E2-I5 WeakPolarHBondContact O-CA 3.37Å; E2-I5 PolarHBondContact O-N 3.07Å; E2-T6 PolarHBondContact O-N 3.37Å; E2-T6 PolarHBondContact O-OG1 3.22Å; E2-T6 VanDerWaalsContact O-OG1 3.07Å |
| 3 | S | 65.9 | Low | 58.9 | Low | 75 Ų | 75 | 84.1 Ų | 84.1 | 52% | 0.524 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -53.7 | -50.4 | 174.4 | 99.4 | 0 | 0 | 0 | 0 | 111.3 | I5 T6 D7 | S3-I5 PolarHBondContact O-N 3.14Å; S3-T6 CarbonylContact O-C 3.43Å; S3-T6 WeakPolarHBondContact O-CA 3.29Å; S3-T6 WeakPolarHBondContact O-CB 3.33Å; S3-T6 PolarHBondContact O-N 2.76Å; S3-D7 WeakPolarHBondContact O-CB 3.34Å; S3-D7 PolarHBondContact O-N 3.47Å; S3-D7 PolarHBondContact OG-OD2 3.13Å |
| 4 | L | 63.6 | Low | 58 | Low | 44 Ų | 44 | 86.6 Ų | 86.6 | 23% | 0.23 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -53.4 | -31 | 176.3 | -111.5 | 149.4 | 0 | 0 | 0 | 114.7 | M1 E2 I8 Q494 | M1-L4 WeakPolarHBondContact O-CB 3.41Å; M1-L4 PolarHBondContact O-N 3.48Å; E2-L4 VanDerWaalsContact C-N 3.34Å; E2-L4 PolarHBondContact O-N 3.15Å; L4-I8 VanDerWaalsContact O-CD1 3.29Å; L4-I8 WeakPolarHBondContact O-CD1 3.34Å; L4-I8 VanDerWaalsContact O-CG1 3.26Å; L4-I8 WeakPolarHBondContact O-CG1 3.28Å; L4-Q494 HydrophobicContact CD2-CG 3.38Å |
| 5 | I | 61.8 | Low | 56.5 | Low | 49 Ų | 49 | 86.3 Ų | 86.3 | 25% | 0.251 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -81 | -41.2 | 173.7 | -66.1 | 168 | 0 | 0 | 0 | 110 | M1 E2 S3 I8 H9 A475 | M1-I5 PolarHBondContact O-N 3.07Å; M1-I5 VanDerWaalsContact O-N 3.09Å; E2-I5 CarbonylContact O-C 3.59Å; E2-I5 WeakPolarHBondContact O-CA 3.37Å; E2-I5 PolarHBondContact O-N 3.07Å; S3-I5 PolarHBondContact O-N 3.14Å; I5-I8 PolarHBondContact O-N 3.46Å; I5-H9 PolarHBondContact O-N 3.03Å; I5-H9 PolarHBondContact O-ND1 2.81Å; I5-A475 HydrophobicContact CD1-CB 4.04Å |
| 6 | T | 69.6 | Low | 55.4 | Low | 79 Ų | 79 | 87.3 Ų | 87.3 | 49% | 0.485 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 175.3 | -54.4 | 0 | 0 | 0 | 0 | 112.3 | E2 S3 I8 H9 S10 | E2-T6 PolarHBondContact O-N 3.37Å; E2-T6 PolarHBondContact O-OG1 3.22Å; E2-T6 VanDerWaalsContact O-OG1 3.07Å; S3-T6 CarbonylContact O-C 3.43Å; S3-T6 WeakPolarHBondContact O-CA 3.29Å; S3-T6 WeakPolarHBondContact O-CB 3.33Å; S3-T6 PolarHBondContact O-N 2.76Å; T6-I8 VanDerWaalsContact C-N 3.29Å; T6-I8 PolarHBondContact O-N 2.92Å; T6-H9 CarbonylContact O-C 3.47Å; T6-H9 WeakPolarHBondContact O-CA 3.44Å; T6-H9 WeakPolarHBondContact O-CB 3.47Å; T6-H9 PolarHBondContact O-N 2.95Å; T6-S10 PolarHBondContact O-N 3.42Å; T6-S10 PolarHBondContact O-OG 2.78Å |
| 7 | D | 63.7 | Low | 54.6 | Low | 92 Ų | 92 | 90.8 Ų | 90.8 | 49% | 0.492 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.4 | -39.5 | 178.2 | -63.9 | -41.3 | 0 | 0 | 0 | 110.7 | S3 H9 S10 G11 | S3-D7 WeakPolarHBondContact O-CB 3.34Å; S3-D7 PolarHBondContact O-N 3.47Å; S3-D7 PolarHBondContact OG-OD2 3.13Å; D7-H9 VanDerWaalsContact C-N 3.31Å; D7-H9 PolarHBondContact O-N 3.47Å; D7-S10 PolarHBondContact O-N 2.99Å; D7-G11 PolarHBondContact O-N 3.07Å; D7-G11 VanDerWaalsContact O-N 3.13Å |
| 8 | I | 60.2 | Low | 53.7 | Low | 14 Ų | 14 | 91.9 Ų | 91.9 | 7% | 0.072 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -66.3 | -31.2 | 172.5 | -68.8 | 170.1 | 0 | 0 | 0 | 111.6 | L4 I5 T6 M12 I476 M487 I491 | L4-I8 VanDerWaalsContact O-CD1 3.29Å; L4-I8 WeakPolarHBondContact O-CD1 3.34Å; L4-I8 VanDerWaalsContact O-CG1 3.26Å; L4-I8 WeakPolarHBondContact O-CG1 3.28Å; I5-I8 PolarHBondContact O-N 3.46Å; T6-I8 VanDerWaalsContact C-N 3.29Å; T6-I8 PolarHBondContact O-N 2.92Å; I8-M12 WeakPolarHBondContact O-CG 3.35Å; I8-I476 HydrophobicContact CD1-CD1 4.12Å; I8-M487 HydrophobicContact CG2-CE 3.73Å; I8-M487 HydrophobicContact CG2-CG 4.47Å; I8-I491 HydrophobicContact CD1-CG1 4.38Å |
| 9 | H | 59.6 | Low | 53.1 | Low | 88 Ų | 88 | 94.1 Ų | 94.1 | 41% | 0.407 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -79.8 | -37.9 | 174 | -70.9 | 102.8 | 0 | 0 | 0 | 112.9 | I5 T6 D7 G11 M12 | I5-H9 PolarHBondContact O-N 3.03Å; I5-H9 PolarHBondContact O-ND1 2.81Å; T6-H9 CarbonylContact O-C 3.47Å; T6-H9 WeakPolarHBondContact O-CA 3.44Å; T6-H9 WeakPolarHBondContact O-CB 3.47Å; T6-H9 PolarHBondContact O-N 2.95Å; D7-H9 VanDerWaalsContact C-N 3.31Å; D7-H9 PolarHBondContact O-N 3.47Å; H9-G11 VanDerWaalsContact C-N 3.3Å; H9-G11 PolarHBondContact O-N 3.27Å; H9-M12 VanDerWaalsContact O-CB 3.29Å; H9-M12 WeakPolarHBondContact O-CB 3.4Å; H9-M12 PolarHBondContact O-N 2.83Å |
| 10 | S | 58.9 | Low | 52.5 | Low | 60 Ų | 60 | 98.1 Ų | 98.1 | 42% | 0.42 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.7 | -39.1 | 177.2 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | T6 D7 M12 T13 | T6-S10 PolarHBondContact O-N 3.42Å; T6-S10 PolarHBondContact O-OG 2.78Å; D7-S10 PolarHBondContact O-N 2.99Å; S10-M12 PolarHBondContact O-N 3.14Å; S10-T13 PolarHBondContact O-N 2.88Å; S10-T13 VanDerWaalsContact O-N 3.15Å; S10-T13 PolarHBondContact O-OG1 3.42Å; S10-T13 VanDerWaalsContact O-OG1 3.07Å |
| 11 | G | 50.6 | Low | 51.8 | Low | 57 Ų | 57 | 97 Ų | 97 | 59% | 0.588 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -7.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | D7 H9 | D7-G11 PolarHBondContact O-N 3.07Å; D7-G11 VanDerWaalsContact O-N 3.13Å; H9-G11 VanDerWaalsContact C-N 3.3Å; H9-G11 PolarHBondContact O-N 3.27Å |
| 12 | M | 54.2 | Low | 51.4 | Low | 120 Ų | 120 | 97.1 Ų | 97.1 | 59% | 0.591 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -2.6 | 176 | -56 | 176.5 | 70.8 | 0 | 0 | 113.3 | I8 H9 S10 | I8-M12 WeakPolarHBondContact O-CG 3.35Å; H9-M12 VanDerWaalsContact O-CB 3.29Å; H9-M12 WeakPolarHBondContact O-CB 3.4Å; H9-M12 PolarHBondContact O-N 2.83Å; S10-M12 PolarHBondContact O-N 3.14Å |
| 13 | T | 49.9 | Very low | 50.6 | Low | 117 Ų | 117 | 93.1 Ų | 93.1 | 72% | 0.718 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | -16.6 | -177.9 | 62.6 | 0 | 0 | 0 | 0 | 114.2 | S10 G15 | S10-T13 PolarHBondContact O-N 2.88Å; S10-T13 VanDerWaalsContact O-N 3.15Å; S10-T13 PolarHBondContact O-OG1 3.42Å; S10-T13 VanDerWaalsContact O-OG1 3.07Å; T13-G15 PolarHBondContact O-N 3.43Å |
| 14 | T | 45.7 | Very low | 49.6 | Very low | 120 Ų | 120 | 94.6 Ų | 94.6 | 74% | 0.736 | 64% | 0.636 | S | S | * | * | trans | -102 | 72.6 | -179.5 | 58.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 15 | G | 36.4 | Very low | 48.7 | Very low | 81 Ų | 81 | 100.2 Ų | 100.2 | 84% | 0.835 | 67% | 0.666 | S | S | * | * | trans | -150.1 | 24.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | T13 | T13-G15 PolarHBondContact O-N 3.43Š| ||
| 16 | A | 38.9 | Very low | 48 | Very low | 102 Ų | 102 | 103.4 Ų | 103.4 | 84% | 0.843 | 69% | 0.69 | S | S | * | * | trans | -141 | 88.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 17 | D | 40.5 | Very low | 46.7 | Very low | 148 Ų | 148 | 107.9 Ų | 107.9 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | trans | -137.3 | 131.3 | 176.5 | -141.4 | -43.6 | 0 | 0 | 0 | 111.8 | ||||
| 18 | S | 38.8 | Very low | 45.7 | Very low | 111 Ų | 111 | 111.2 Ų | 111.2 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | trans | 57.6 | 90 | 157.3 | -65.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 19 | C | 41.9 | Very low | 44.9 | Very low | 132 Ų | 132 | 115.7 Ų | 115.7 | 89% | 0.892 | 76% | 0.757 | S | S | * | * | trans | -144.7 | 130.9 | 137.7 | 52.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 20 | N | 41.5 | Very low | 44 | Very low | 175 Ų | 175 | 115.6 Ų | 115.6 | 94% | 0.936 | 77% | 0.771 | S | S | * | * | trans | -30.7 | 151.6 | 179.4 | -66.7 | -24 | 0 | 0 | 0 | 119.6 | ||||
| 21 | G | 38 | Very low | 43.3 | Very low | 75 Ų | 75 | 117.6 Ų | 117.6 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | 160.3 | 80.5 | 149.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 22 | S | 42.1 | Very low | 42.8 | Very low | 138 Ų | 138 | 122 Ų | 122 | 97% | 0.965 | 80% | 0.801 | S | S | * | * | trans | -67.1 | 133.5 | 170.6 | -48.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 23 | G | 40.8 | Very low | 42.4 | Very low | 78 Ų | 78 | 123.9 Ų | 123.9 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -175.7 | 104.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 24 | S | 45.2 | Very low | 42 | Very low | 107 Ų | 107 | 121.5 Ų | 121.5 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | -80.2 | 140.8 | 177.5 | 47.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 25 | D | 43.8 | Very low | 41.7 | Very low | 161 Ų | 161 | 124 Ų | 124 | 86% | 0.861 | 82% | 0.821 | S | S | * | * | trans | 178 | 129.9 | 130.2 | -90.7 | -26 | 0 | 0 | 0 | 112 | ||||
| 26 | P | 48.5 | Very low | 42 | Very low | 116 Ų | 116 | 123.9 Ų | 123.9 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | -116.2 | 145.4 | 165.4 | 37.1 | -27 | 0 | 0 | 0 | 112.4 | ||||
| 27 | M | 42.2 | Very low | 42.1 | Very low | 174 Ų | 174 | 130.7 Ų | 130.7 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | trans | 162.8 | 168 | 141 | -93 | -166.9 | 78.3 | 0 | 0 | 113 | ||||
| 28 | L | 42.6 | Very low | 42.1 | Very low | 162 Ų | 162 | 128.7 Ų | 128.7 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | trans | 82.5 | 135.8 | 177 | -51.3 | 171.4 | 0 | 0 | 0 | 115.1 | ||||
| 29 | S | 41.8 | Very low | 42.3 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | cis | -174.9 | 158.1 | -22 | -159.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 30 | A | 41.3 | Very low | 42.4 | Very low | 85 Ų | 85 | 130.4 Ų | 130.4 | 70% | 0.702 | 82% | 0.817 | S | S | * | * | trans | -9.9 | 128.5 | 160.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 31 | A | 43.8 | Very low | 42.3 | Very low | 102 Ų | 102 | 127.2 Ų | 127.2 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | 71.5 | 108.2 | 67.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 32 | D | 41.5 | Very low | 42.4 | Very low | 149 Ų | 149 | 127.7 Ų | 127.7 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -156.5 | 166.1 | 148.6 | -161.3 | 25.8 | 0 | 0 | 0 | 112.5 | ||||
| 33 | L | 44.4 | Very low | 42.1 | Very low | 161 Ų | 161 | 126.9 Ų | 126.9 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -60.4 | 169.2 | 177.5 | -59.6 | 148.9 | 0 | 0 | 0 | 112.6 | ||||
| 34 | G | 41.2 | Very low | 42.2 | Very low | 67 Ų | 67 | 127.9 Ų | 127.9 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | cis | 167.7 | 179.6 | 1.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 35 | D | 41.2 | Very low | 41.8 | Very low | 173 Ų | 173 | 130.6 Ų | 130.6 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | trans | 71.1 | 153.4 | 163.7 | -115.5 | -71.6 | 0 | 0 | 0 | 123.2 | ||||
| 36 | A | 41.5 | Very low | 41.4 | Very low | 78 Ų | 78 | 128.1 Ų | 128.1 | 65% | 0.645 | 81% | 0.809 | S | S | * | * | trans | -92.1 | 153.5 | -154.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 37 | R | 40.4 | Very low | 40.8 | Very low | 244 Ų | 244 | 128 Ų | 128 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | 179.4 | 146.3 | 122.3 | -103.9 | 168.2 | 161 | 178.3 | -5.7 | 115.7 | |||||
| 38 | S | 41.6 | Very low | 40.6 | Very low | 106 Ų | 106 | 127.7 Ų | 127.7 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | trans | 13.8 | 146.8 | 155 | -53.6 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 39 | P | 43.8 | Very low | 40.6 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | trans | -80 | 150 | 170.6 | 35.3 | -34.9 | 0 | 0 | 0 | 112.5 | ||||
| 40 | V | 43.5 | Very low | 40.2 | Very low | 147 Ų | 147 | 128.2 Ų | 128.2 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | -145 | 151.3 | 168.7 | 83.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 41 | S | 39.8 | Very low | 40.1 | Very low | 109 Ų | 109 | 129 Ų | 129 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | trans | -69.3 | 145.2 | -172.5 | -49.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 42 | G | 39.4 | Very low | 39.9 | Very low | 85 Ų | 85 | 127.4 Ų | 127.4 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | trans | -107 | 106.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 43 | S | 36.3 | Very low | 39.8 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -88.4 | 132.5 | 176.8 | -63 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 44 | A | 41.8 | Very low | 39.5 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -136.5 | 90.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 45 | L | 37.7 | Very low | 39.2 | Very low | 164 Ų | 164 | 138.5 Ų | 138.5 | 86% | 0.859 | 82% | 0.817 | S | S | * | * | trans | 2.9 | 120.4 | 152.7 | -52.3 | 171.4 | 0 | 0 | 0 | 118.2 | ||||
| 46 | S | 35.3 | Very low | 39.2 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | 169.6 | 121.3 | 100.2 | -72.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 47 | S | 35.7 | Very low | 39.1 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | 47.2 | 99.4 | 146.3 | -51.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 48 | L | 37.7 | Very low | 39 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 88% | 0.88 | 81% | 0.813 | S | S | * | * | trans | -55.8 | 135 | 140.8 | -105.7 | 78.8 | 0 | 0 | 0 | 109.7 | ||||
| 49 | V | 43.4 | Very low | 38.7 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | -137.2 | 120.7 | 138.7 | -79.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 50 | D | 34 | Very low | 38.5 | Very low | 145 Ų | 145 | 132.7 Ų | 132.7 | 78% | 0.775 | 81% | 0.809 | S | S | * | * | trans | -72.8 | 142.7 | 167.7 | -151.8 | -67.4 | 0 | 0 | 0 | 108.3 | A52 | D50-A52 PolarHBondContact OD1-N 3.46Š| ||
| 51 | A | 38.4 | Very low | 38.2 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -135.3 | 48 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 52 | A | 39.2 | Very low | 38 | Very low | 69 Ų | 69 | 135.3 Ų | 135.3 | 57% | 0.57 | 81% | 0.81 | S | S | * | * | trans | -100.3 | 155 | 151.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | D50 | D50-A52 PolarHBondContact OD1-N 3.46Š| ||
| 53 | D | 39.9 | Very low | 37.7 | Very low | 154 Ų | 154 | 135.8 Ų | 135.8 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 71.9 | 154.4 | -177.4 | -62 | -60.4 | 0 | 0 | 0 | 117.7 | ||
| 54 | Y | 38.1 | Very low | 37.7 | Very low | 221 Ų | 221 | 135.3 Ų | 135.3 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | 68.6 | 78.7 | -174 | -70.9 | -89.1 | 0 | 0 | 0 | 118.6 | ||||
| 55 | R | 34.3 | Very low | 37.4 | Very low | 234 Ų | 234 | 134.8 Ų | 134.8 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | -152.5 | 72 | 120.2 | -158.4 | 164.5 | 179.5 | 154.6 | -1.4 | 113.8 | |||||
| 56 | S | 40.8 | Very low | 37.3 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -110.6 | 153 | 155.8 | -65.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 57 | H | 39.4 | Very low | 37.5 | Very low | 179 Ų | 179 | 140.8 Ų | 140.8 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | 76.9 | 149.5 | -174.7 | -91.1 | -105.2 | 0 | 0 | 0 | 118.5 | ||||
| 58 | L | 38 | Very low | 37.6 | Very low | 157 Ų | 157 | 141.7 Ų | 141.7 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | 68.9 | 104.2 | -176.3 | -48.6 | -179.1 | 0 | 0 | 0 | 114.5 | ||||
| 59 | G | 36.2 | Very low | 37.9 | Very low | 70 Ų | 70 | 141.5 Ų | 141.5 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | cis | 99.7 | 106.8 | 0.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 60 | A | 39.5 | Very low | 37.6 | Very low | 96 Ų | 96 | 142.8 Ų | 142.8 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | trans | 71.8 | 133 | 166.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 61 | N | 36.4 | Very low | 37.8 | Very low | 159 Ų | 159 | 138.9 Ų | 138.9 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | 56.5 | 139.2 | 170 | -60.1 | -2.9 | 0 | 0 | 0 | 116.4 | ||||
| 62 | D | 36.1 | Very low | 37.7 | Very low | 152 Ų | 152 | 145 Ų | 145 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | cis | -142.9 | 177.1 | 28 | -171.1 | -142.1 | 0 | 0 | 0 | 112.8 | ||||
| 63 | S | 33.8 | Very low | 38 | Very low | 94 Ų | 94 | 150.3 Ų | 150.3 | 66% | 0.657 | 80% | 0.802 | S | S | * | * | trans | -106.4 | 165 | -160.8 | -56.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 64 | S | 36.6 | Very low | 38.3 | Very low | 112 Ų | 112 | 146 Ų | 146 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | 93.6 | 138.3 | 155.7 | -54.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 65 | S | 35.7 | Very low | 39 | Very low | 87 Ų | 87 | 141.4 Ų | 141.4 | 61% | 0.608 | 78% | 0.781 | S | S | * | * | trans | 63.7 | 86.4 | 159.4 | -61.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 66 | Y | 34.5 | Very low | 39.1 | Very low | 236 Ų | 236 | 135.6 Ų | 135.6 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | -145.9 | 151.6 | 122.8 | -83.6 | -61.7 | 0 | 0 | 0 | 110.9 | |||||
| 67 | H | 40.6 | Very low | 39.3 | Very low | 164 Ų | 164 | 135.7 Ų | 135.7 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | -95.7 | 147.5 | -152.6 | -59.1 | -96.7 | 0 | 0 | 0 | 114.5 | L69 | H67-L69 PolarHBondContact O-N 2.68Š| ||
| 68 | T | 36.2 | Very low | 39.5 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -64.2 | 119.7 | 171.8 | -51.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 69 | L | 45 | Very low | 39.4 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | trans | -128.7 | 106 | 162.1 | -78.3 | 176.3 | 0 | 0 | 0 | 111.2 | H67 G71 | H67-L69 PolarHBondContact O-N 2.68Å; L69-G71 PolarHBondContact O-N 3.06Å; L69-G71 VanDerWaalsContact O-N 3.12Å | ||
| 70 | N | 37.5 | Very low | 39.7 | Very low | 164 Ų | 164 | 135.3 Ų | 135.3 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -61.4 | 106.8 | 162.8 | -86.5 | -9.7 | 0 | 0 | 0 | 109.2 | ||||
| 71 | G | 36.7 | Very low | 39.4 | Very low | 63 Ų | 63 | 139 Ų | 139 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | trans | -123.5 | 77.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L69 M73 | L69-G71 PolarHBondContact O-N 3.06Å; L69-G71 VanDerWaalsContact O-N 3.12Å; G71-M73 PolarHBondContact O-N 3.2Å; G71-M73 VanDerWaalsContact O-N 3.08Å | ||
| 72 | R | 38.1 | Very low | 39.4 | Very low | 230 Ų | 230 | 136.5 Ų | 136.5 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | trans | -66.1 | 101.5 | 176 | 176.2 | -171 | 175.6 | 177.9 | 2 | 110.9 | S74 | R72-S74 PolarHBondContact NE-OG 2.84Š| ||
| 73 | M | 43.8 | Very low | 39.6 | Very low | 180 Ų | 180 | 133.7 Ų | 133.7 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | trans | -91.3 | 100.9 | 165.7 | 42.8 | 176.9 | 61.3 | 0 | 0 | 110.7 | G71 | G71-M73 PolarHBondContact O-N 3.2Å; G71-M73 VanDerWaalsContact O-N 3.08Å | ||
| 74 | S | 46.5 | Very low | 39.8 | Very low | 64 Ų | 64 | 136 Ų | 136 | 45% | 0.448 | 79% | 0.787 | S | S | . | * | trans | -92 | 139.8 | 166.5 | -45.4 | 0 | 0 | 0 | 0 | 108.1 | R72 S76 | R72-S74 PolarHBondContact NE-OG 2.84Å; S74-S76 PolarHBondContact O-N 3.48Å | ||
| 75 | P | 52.6 | Low | 40.2 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | trans | -71.1 | 113.2 | 169.9 | 28.6 | -31.6 | 0 | 0 | 0 | 109.5 | S77 | P75-S77 PolarHBondContact O-N 2.99Å; P75-S77 VanDerWaalsContact O-N 3.13Å | ||
| 76 | S | 37.9 | Very low | 40.5 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -75.5 | 95.3 | 176.9 | -62 | 0 | 0 | 0 | 0 | 111.1 | S74 V78 | S74-S76 PolarHBondContact O-N 3.48Å; S76-V78 PolarHBondContact O-N 3.18Å | ||
| 77 | S | 43.6 | Very low | 40.8 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -76.5 | 103.1 | 166.1 | -62.5 | 0 | 0 | 0 | 0 | 109.7 | P75 S79 | P75-S77 PolarHBondContact O-N 2.99Å; P75-S77 VanDerWaalsContact O-N 3.13Å; S77-S79 PolarHBondContact O-N 3.37Å | ||
| 78 | V | 44.1 | Very low | 40.6 | Very low | 131 Ų | 131 | 128.1 Ų | 128.1 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -73.1 | 106.8 | 174.3 | -75.6 | 0 | 0 | 0 | 0 | 110.8 | S76 V80 | S76-V78 PolarHBondContact O-N 3.18Å; V78-V80 PolarHBondContact O-N 3.49Å | ||
| 79 | S | 36.6 | Very low | 40.7 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -77.5 | 108.7 | 166.1 | -69.8 | 0 | 0 | 0 | 0 | 109.7 | S77 L81 | S77-S79 PolarHBondContact O-N 3.37Å; S79-L81 PolarHBondContact O-N 3.33Å | ||
| 80 | V | 41.4 | Very low | 40.6 | Very low | 146 Ų | 146 | 128.4 Ų | 128.4 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | trans | -77.2 | 118.2 | 165.9 | -90.1 | 0 | 0 | 0 | 0 | 109.8 | V78 | V78-V80 PolarHBondContact O-N 3.49Š| ||
| 81 | L | 33 | Very low | 40.3 | Very low | 174 Ų | 174 | 125.8 Ų | 125.8 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | trans | -98.9 | 120.4 | -179.8 | 176 | 71.4 | 0 | 0 | 0 | 110.3 | S79 | S79-L81 PolarHBondContact O-N 3.33Š| ||
| 82 | S | 37.3 | Very low | 40.6 | Very low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -173.4 | 138.4 | 160.1 | -158.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 83 | S | 39.3 | Very low | 40.8 | Very low | 93 Ų | 93 | 124 Ų | 124 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | cis | -164.8 | 152.1 | -12.8 | -99 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 84 | V | 38.6 | Very low | 40.4 | Very low | 141 Ų | 141 | 125.9 Ų | 125.9 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | 52.9 | 128.5 | 144.6 | -179.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 85 | A | 44.9 | Very low | 40.1 | Very low | 89 Ų | 89 | 127 Ų | 127 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | cis | -153.7 | 178.2 | 18.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 86 | P | 42 | Very low | 39.6 | Very low | 113 Ų | 113 | 127.1 Ų | 127.1 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -100.4 | 169 | -169.2 | 39.5 | -35.1 | 0 | 0 | 0 | 115 | ||||
| 87 | I | 42 | Very low | 39.8 | Very low | 173 Ų | 173 | 129.8 Ų | 129.8 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | trans | 166.2 | 135.6 | 132.8 | -85.7 | 153.7 | 0 | 0 | 0 | 110 | ||||
| 88 | G | 34.8 | Very low | 40.3 | Very low | 60 Ų | 60 | 128.8 Ų | 128.8 | 62% | 0.619 | 78% | 0.782 | S | S | * | * | trans | 110.9 | 102.2 | 140.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 89 | F | 38.2 | Very low | 40.6 | Very low | 216 Ų | 216 | 127.6 Ų | 127.6 | 95% | 0.947 | 78% | 0.777 | S | S | * | * | trans | 82.7 | 141.2 | 136.6 | -84.6 | -91.4 | 0 | 0 | 0 | 124.4 | ||||
| 90 | A | 43.1 | Very low | 41 | Very low | 84 Ų | 84 | 130.2 Ų | 130.2 | 69% | 0.694 | 78% | 0.781 | S | S | * | * | trans | 75 | 83.4 | 153 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 91 | S | 32.1 | Very low | 41.6 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | -26.5 | 127.4 | 148.6 | -175.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 92 | V | 43.8 | Very low | 42.2 | Very low | 131 Ų | 131 | 125.1 Ų | 125.1 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | trans | -119.4 | 106.2 | 158.9 | 179.1 | 0 | 0 | 0 | 0 | 108.1 | Y94 | V92-Y94 PolarHBondContact O-N 2.94Š| ||
| 93 | T | 41.1 | Very low | 42.8 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | -61.9 | 131.4 | 178.7 | -42.2 | 0 | 0 | 0 | 0 | 110.7 | A95 | T93-A95 PolarHBondContact O-N 3.45Š| ||
| 94 | Y | 34.9 | Very low | 43 | Very low | 220 Ų | 220 | 128.3 Ų | 128.3 | 86% | 0.863 | 76% | 0.758 | S | S | * | * | trans | -62.9 | 124.2 | 176 | -84.6 | -104.6 | 0 | 0 | 0 | 111 | V92 T96 | V92-Y94 PolarHBondContact O-N 2.94Å; Y94-T96 PolarHBondContact O-N 3.39Å | ||
| 95 | A | 40.7 | Very low | 43.6 | Very low | 88 Ų | 88 | 127.2 Ų | 127.2 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -79.6 | 106.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | T93 L97 | T93-A95 PolarHBondContact O-N 3.45Å; A95-L97 PolarHBondContact O-N 3.46Å; A95-L97 VanDerWaalsContact O-N 3.1Å | ||
| 96 | T | 41.4 | Very low | 43.4 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -64 | 107.1 | 169.6 | -65.2 | 0 | 0 | 0 | 0 | 109.9 | Y94 T98 | Y94-T96 PolarHBondContact O-N 3.39Å; T96-T98 PolarHBondContact O-N 3.08Å | ||
| 97 | L | 43.6 | Very low | 43.7 | Very low | 166 Ų | 166 | 130.6 Ų | 130.6 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | trans | -79.7 | 98.1 | 171.5 | -71.8 | 175.7 | 0 | 0 | 0 | 109.9 | A95 | A95-L97 PolarHBondContact O-N 3.46Å; A95-L97 VanDerWaalsContact O-N 3.1Å | ||
| 98 | T | 54.2 | Low | 43.6 | Very low | 93 Ų | 93 | 128 Ų | 128 | 57% | 0.571 | 75% | 0.753 | S | S | * | * | trans | -58 | 132.2 | 173.7 | -35.8 | 0 | 0 | 0 | 0 | 110.6 | T96 L100 | T96-T98 PolarHBondContact O-N 3.08Å; T98-L100 PolarHBondContact O-N 3.41Å | ||
| 99 | P | 49.5 | Very low | 43.8 | Very low | 105 Ų | 105 | 132 Ų | 132 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | trans | -66.6 | 124.9 | 175.5 | 26.7 | -33.2 | 0 | 0 | 0 | 110.2 | Q101 | P99-Q101 PolarHBondContact O-N 2.93Š| ||
| 100 | L | 46 | Very low | 44.1 | Very low | 176 Ų | 176 | 127.1 Ų | 127.1 | 92% | 0.921 | 75% | 0.753 | S | S | * | * | trans | -65.3 | 115 | 176.2 | -78 | 163.3 | 0 | 0 | 0 | 110.5 | T98 | T98-L100 PolarHBondContact O-N 3.41Š| ||
| 101 | Q | 53.3 | Low | 43.7 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 48% | 0.481 | 76% | 0.76 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 140.3 | 170.8 | -91.1 | -90.1 | -14 | 0 | 0 | 111 | P99 | P99-Q101 PolarHBondContact O-N 2.93Š|
| 102 | P | 46.1 | Very low | 44.3 | Very low | 110 Ų | 110 | 132 Ų | 132 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -72 | 137.6 | 175.5 | 29.5 | -32.8 | 0 | 0 | 0 | 111.3 | ||
| 103 | L | 48.5 | Very low | 44.1 | Very low | 163 Ų | 163 | 132.2 Ų | 132.2 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 145.3 | 177.1 | -74.1 | 156.6 | 0 | 0 | 0 | 111.6 | ||
| 104 | P | 44.8 | Very low | 44.3 | Very low | 104 Ų | 104 | 135.9 Ų | 135.9 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 152.2 | 173.7 | 28.8 | -34.9 | 0 | 0 | 0 | 111.2 | ||
| 105 | P | 51.5 | Low | 44.3 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 138.2 | 177.1 | 27.4 | -34.1 | 0 | 0 | 0 | 110.8 | S107 | P105-S107 PolarHBondContact O-N 2.94Å; P105-S107 VanDerWaalsContact O-N 3.08Å |
| 106 | I | 40.8 | Very low | 44.3 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | -67.6 | 107.9 | 175.1 | -59.3 | 171.5 | 0 | 0 | 0 | 107.8 | T108 | I106-T108 PolarHBondContact O-N 3.38Š| ||
| 107 | S | 46.8 | Very low | 44.1 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | -60.6 | 136.3 | 171.6 | -70.1 | 0 | 0 | 0 | 0 | 110.3 | P105 V109 | P105-S107 PolarHBondContact O-N 2.94Å; P105-S107 VanDerWaalsContact O-N 3.08Å; S107-V109 PolarHBondContact O-N 3.14Å | ||
| 108 | T | 41.4 | Very low | 43.8 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | trans | -55.9 | 128.9 | -179.1 | 46 | 0 | 0 | 0 | 0 | 112.2 | I106 T110 | I106-T108 PolarHBondContact O-N 3.38Å; T108-T110 PolarHBondContact O-N 3.12Å | ||
| 109 | V | 38.1 | Very low | 42.9 | Very low | 145 Ų | 145 | 133 Ų | 133 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | trans | -65.2 | 100.2 | 162.3 | 173.2 | 0 | 0 | 0 | 0 | 107.9 | S107 Q111 | S107-V109 PolarHBondContact O-N 3.14Å; V109-Q111 PolarHBondContact O-N 3.38Å | ||
| 110 | T | 45.2 | Very low | 42.4 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | trans | -78.7 | 111.3 | 169.8 | 44.9 | 0 | 0 | 0 | 0 | 109.4 | T108 S112 | T108-T110 PolarHBondContact O-N 3.12Å; T110-S112 PolarHBondContact O-N 3.08Å | ||
| 111 | Q | 35 | Very low | 41.9 | Very low | 184 Ų | 184 | 128 Ų | 128 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -54.2 | 119.8 | 170 | 176.8 | -177.8 | 1.3 | 0 | 0 | 111.4 | V109 | V109-Q111 PolarHBondContact O-N 3.38Š| ||
| 112 | S | 43.7 | Very low | 41.4 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -147.1 | 68.7 | 171.4 | -72.6 | 0 | 0 | 0 | 0 | 110 | T110 K114 | T110-S112 PolarHBondContact O-N 3.08Å; S112-K114 PolarHBondContact O-N 3.22Å | ||
| 113 | D | 38.6 | Very low | 41.2 | Very low | 136 Ų | 136 | 131 Ų | 131 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -78.9 | 107.9 | 172 | -141.7 | -58.7 | 0 | 0 | 0 | 108.9 | ||||
| 114 | K | 45.3 | Very low | 40.7 | Very low | 199 Ų | 199 | 127.3 Ų | 127.3 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | trans | -152.6 | 100.2 | 164.8 | -153.9 | 176 | -176.1 | -173.5 | 0 | 112.4 | S112 A116 | S112-K114 PolarHBondContact O-N 3.22Å; K114-A116 PolarHBondContact O-N 3.26Å | ||
| 115 | F | 36.1 | Very low | 40.4 | Very low | 188 Ų | 188 | 125.8 Ų | 125.8 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -58.8 | 128 | 166 | -73.7 | -109 | 0 | 0 | 0 | 111.3 | ||||
| 116 | A | 39.5 | Very low | 39.7 | Very low | 95 Ų | 95 | 130.7 Ų | 130.7 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -176.1 | 101.2 | 139.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K114 | K114-A116 PolarHBondContact O-N 3.26Š| ||
| 117 | A | 37.3 | Very low | 39.7 | Very low | 88 Ų | 88 | 126.5 Ų | 126.5 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | 36.6 | 123 | 141.4 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 118 | S | 37.7 | Very low | 39.2 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | 60.9 | 134.7 | 133.1 | 67.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 119 | N | 35 | Very low | 38.9 | Very low | 151 Ų | 151 | 130.3 Ų | 130.3 | 81% | 0.807 | 80% | 0.796 | S | S | * | * | cis | -174 | 157.4 | 33.9 | -161.3 | 4.4 | 0 | 0 | 0 | 110 | ||||
| 120 | A | 39.2 | Very low | 38.9 | Very low | 86 Ų | 86 | 128.3 Ų | 128.3 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 41.8 | 150.7 | 150.9 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 121 | A | 37.2 | Very low | 38.4 | Very low | 89 Ų | 89 | 131.8 Ų | 131.8 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | cis | -175 | 170.9 | -16.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 122 | A | 41.5 | Very low | 39.2 | Very low | 88 Ų | 88 | 127.3 Ų | 127.3 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | 68.6 | 150.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 123 | Q | 41.2 | Very low | 39 | Very low | 188 Ų | 188 | 127.8 Ų | 127.8 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | cis | -165.3 | 150.3 | -3.2 | -118.7 | 168.1 | 19.8 | 0 | 0 | 111.2 | ||||
| 124 | G | 39.4 | Very low | 38.9 | Very low | 86 Ų | 86 | 128.9 Ų | 128.9 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | 71.8 | 151.6 | 154.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 125 | G | 38.8 | Very low | 38.4 | Very low | 72 Ų | 72 | 126.5 Ų | 126.5 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | cis | -165.2 | 176.4 | 0.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 126 | F | 35.7 | Very low | 38.3 | Very low | 220 Ų | 220 | 121.7 Ų | 121.7 | 97% | 0.965 | 78% | 0.778 | S | S | * | * | trans | -116.6 | 164.2 | -156.9 | -66.2 | -99.5 | 0 | 0 | 0 | 116.6 | ||||
| 127 | G | 41.6 | Very low | 38.3 | Very low | 78 Ų | 78 | 126 Ų | 126 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 102.9 | 156.7 | 150.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 128 | F | 35.2 | Very low | 38.2 | Very low | 195 Ų | 195 | 127.2 Ų | 127.2 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | cis | -159.9 | 177.5 | -11.9 | 176.2 | -115.1 | 0 | 0 | 0 | 109 | ||||
| 129 | V | 35.2 | Very low | 38 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 67% | 0.667 | 78% | 0.778 | S | S | * | * | trans | -83.2 | 162.1 | -161.8 | -51.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 130 | A | 39.6 | Very low | 38.1 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | -158.8 | 133.4 | 145.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 131 | Q | 34.6 | Very low | 37.7 | Very low | 185 Ų | 185 | 127.4 Ų | 127.4 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | -142.6 | 178.3 | 162.7 | -134.7 | -154.3 | -33.2 | 0 | 0 | 104.7 | ||||
| 132 | P | 50.1 | Low | 38.1 | Very low | 91 Ų | 91 | 129.5 Ų | 129.5 | 59% | 0.591 | 78% | 0.775 | S | S | * | * | cis | -137.8 | -151.4 | -5.3 | 43.1 | -22.7 | 0 | 0 | 0 | 113.2 | ||||
| 133 | T | 41 | Very low | 38 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | 121.1 | 97.1 | 157.5 | -49.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 134 | M | 35.4 | Very low | 37.8 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 78% | 0.778 | 77% | 0.774 | S | S | * | * | 80.3 | 136.8 | 70.1 | -61.8 | -66.6 | -168.4 | 0 | 0 | 115.7 | |||||
| 135 | N | 36 | Very low | 37.7 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | 71 | 151.7 | 161.4 | -66.1 | -3.4 | 0 | 0 | 0 | 119.2 | ||||
| 136 | S | 34.1 | Very low | 37.5 | Very low | 87 Ų | 87 | 134.4 Ų | 134.4 | 61% | 0.608 | 77% | 0.77 | S | S | * | * | cis | -176.1 | -179.1 | -28 | -106.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 137 | F | 38 | Very low | 37.7 | Very low | 186 Ų | 186 | 129 Ų | 129 | 82% | 0.816 | 77% | 0.765 | S | S | * | * | trans | 79.9 | 149.8 | 164 | -60.1 | -87.6 | 0 | 0 | 0 | 118.9 | ||||
| 138 | V | 36.2 | Very low | 37.5 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 68% | 0.679 | 76% | 0.76 | S | S | * | * | -160.1 | 154.3 | -50.6 | -89.6 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 139 | N | 32.6 | Very low | 37.7 | Very low | 154 Ų | 154 | 128 Ų | 128 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | trans | 58.9 | 157.6 | 154.4 | -80.1 | 4.3 | 0 | 0 | 0 | 118.5 | ||||
| 140 | S | 37.8 | Very low | 37.7 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | cis | -150.7 | 131.2 | 6.4 | -111.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 141 | C | 31.4 | Very low | 37.5 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 72% | 0.716 | 75% | 0.754 | S | S | * | * | trans | 13.4 | 148.2 | 141.4 | 69.6 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 142 | V | 43.9 | Very low | 37.5 | Very low | 134 Ų | 134 | 126.2 Ų | 126.2 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | trans | 74.7 | 159.8 | 151.9 | -100.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 143 | P | 40.4 | Very low | 36.8 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | -129.8 | -178.2 | -120.1 | 43.6 | -24.5 | 0 | 0 | 0 | 115.6 | |||||
| 144 | N | 36.7 | Very low | 36.5 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -132.1 | 125.2 | 167.1 | -170.1 | 19.1 | 0 | 0 | 0 | 111.8 | ||||
| 145 | P | 38.2 | Very low | 36.9 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | trans | -95.2 | 157.6 | 178.6 | 36.5 | -34.5 | 0 | 0 | 0 | 114.4 | ||||
| 146 | N | 33.5 | Very low | 36.8 | Very low | 161 Ų | 161 | 130.4 Ų | 130.4 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | trans | 73.6 | 99.3 | 149.1 | -161.9 | 19.8 | 0 | 0 | 0 | 119.6 | ||||
| 147 | A | 40.2 | Very low | 37.4 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 87% | 0.868 | 76% | 0.759 | S | S | * | * | trans | -155.2 | 129.1 | 143.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 148 | G | 38.3 | Very low | 37.7 | Very low | 67 Ų | 67 | 131.5 Ų | 131.5 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | trans | 98.8 | 54.3 | 134.7 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 149 | Q | 38.8 | Very low | 38.2 | Very low | 187 Ų | 187 | 135 Ų | 135 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | trans | 66.2 | 159.7 | 140.2 | -68.7 | -66.2 | -43.5 | 0 | 0 | 120.2 | ||||
| 150 | P | 34.2 | Very low | 38.4 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | trans | -100.8 | 157.7 | -159.1 | 38.8 | -36.3 | 0 | 0 | 0 | 114.4 | ||||
| 151 | N | 35.7 | Very low | 38.6 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | -126.4 | 105.3 | 163.6 | -104.4 | -32.2 | 0 | 0 | 0 | 111.6 | Y153 | N151-Y153 HydrophobicContact CB-CD2 4.21Å; N151-Y153 HydrophobicContact CB-CE2 3.86Å | ||
| 152 | T | 35 | Very low | 39.1 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | trans | -66 | 122.5 | 166.3 | -63.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 153 | Y | 36.2 | Very low | 39.2 | Very low | 196 Ų | 196 | 140.7 Ų | 140.7 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | -127.8 | 116.6 | 163.1 | -78.3 | -73.5 | 0 | 0 | 0 | 112.2 | N151 | N151-Y153 HydrophobicContact CB-CD2 4.21Å; N151-Y153 HydrophobicContact CB-CE2 3.86Å | ||
| 154 | N | 34.6 | Very low | 39.9 | Very low | 142 Ų | 142 | 143.2 Ų | 143.2 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | -83.5 | 115.7 | 176.7 | 175 | 6.7 | 0 | 0 | 0 | 109.3 | S156 | N154-S156 PolarHBondContact O-N 3.13Š| ||
| 155 | M | 42.7 | Very low | 40.1 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 83% | 0.828 | 74% | 0.743 | S | S | * | * | trans | -85 | 87.9 | 174.8 | -82.5 | -150.6 | -99.6 | 0 | 0 | 111.9 | M157 | M155-M157 PolarHBondContact O-N 3.25Š| ||
| 156 | S | 34.6 | Very low | 40 | Very low | 103 Ų | 103 | 141.8 Ų | 141.8 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | trans | -79.9 | 98.4 | 163.6 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | N154 K158 | N154-S156 PolarHBondContact O-N 3.13Å; S156-K158 PolarHBondContact O-N 3.38Å | ||
| 157 | M | 45.8 | Very low | 40.2 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 66% | 0.66 | 75% | 0.745 | S | S | * | * | trans | -86.4 | 93.1 | 174.2 | -76.9 | -75.6 | -115.6 | 0 | 0 | 110.5 | M155 Y159 | M155-M157 PolarHBondContact O-N 3.25Å; M157-Y159 HydrophobicContact CE-CE2 3.78Å; M157-Y159 WeakPolarHBondContact CE-OH 3.48Å; M157-Y159 HydrophobicContact SD-CE2 4.03Å | ||
| 158 | K | 45.3 | Very low | 40.2 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 70% | 0.704 | 74% | 0.741 | S | S | * | * | trans | -98.4 | 104.8 | 167.8 | -164 | -166.7 | -171.8 | -148.2 | 0 | 109.1 | S156 E160 | S156-K158 PolarHBondContact O-N 3.38Å; K158-E160 WeakPolarHBondContact CE-OE2 3.26Å; K158-E160 IonicContact NZ-OE2 3.03Å; K158-E160 PolarHBondContact NZ-OE2 3.5Å | ||
| 159 | Y | 45.7 | Very low | 40.2 | Very low | 187 Ų | 187 | 143.4 Ų | 143.4 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | trans | -93.7 | 118.2 | 167.8 | -78 | -76.9 | 0 | 0 | 0 | 109.5 | M157 | M157-Y159 HydrophobicContact CE-CE2 3.78Å; M157-Y159 WeakPolarHBondContact CE-OH 3.48Å; M157-Y159 HydrophobicContact SD-CE2 4.03Å | ||
| 160 | E | 36.6 | Very low | 40 | Very low | 151 Ų | 151 | 138.9 Ų | 138.9 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | trans | -113.8 | 126.5 | 172.6 | -160 | 162.2 | 105.8 | 0 | 0 | 107.5 | K158 | K158-E160 WeakPolarHBondContact CE-OE2 3.26Å; K158-E160 IonicContact NZ-OE2 3.03Å; K158-E160 PolarHBondContact NZ-OE2 3.5Å | ||
| 161 | Y | 42.1 | Very low | 40.4 | Very low | 210 Ų | 210 | 140.5 Ų | 140.5 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | trans | -112.1 | 107.6 | 178.7 | -113.8 | -93.8 | 0 | 0 | 0 | 107.7 | V163 | Y161-V163 PolarHBondContact O-N 2.73Š| ||
| 162 | D | 43.4 | Very low | 40.5 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 62% | 0.62 | 75% | 0.752 | S | S | * | * | trans | -81.2 | 112.3 | 172.8 | -172.8 | -120.6 | 0 | 0 | 0 | 108.9 | K164 | D162-K164 WeakPolarHBondContact OD1-CG 3.4Å; D162-K164 IonicContact OD1-NZ 3.97Å; D162-K164 PolarHBondContact OD1-NZ 2.71Å; D162-K164 IonicContact OD2-NZ 2.92Å; D162-K164 PolarHBondContact OD2-NZ 2.78Å | ||
| 163 | V | 45.3 | Very low | 40.6 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 79% | 0.788 | 75% | 0.75 | S | S | * | * | trans | -112 | 91.5 | 171.2 | 178.2 | 0 | 0 | 0 | 0 | 107.6 | Y161 | Y161-V163 PolarHBondContact O-N 2.73Š| ||
| 164 | K | 55.5 | Low | 40.7 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 74% | 0.735 | 75% | 0.751 | S | S | * | * | trans | -88.2 | 113.9 | 171 | -73.7 | -175.7 | 178.5 | 94 | 0 | 110.2 | D162 | D162-K164 WeakPolarHBondContact OD1-CG 3.4Å; D162-K164 IonicContact OD1-NZ 3.97Å; D162-K164 PolarHBondContact OD1-NZ 2.71Å; D162-K164 IonicContact OD2-NZ 2.92Å; D162-K164 PolarHBondContact OD2-NZ 2.78Å | ||
| 165 | G | 40.7 | Very low | 40.9 | Very low | 63 Ų | 63 | 133.3 Ų | 133.3 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | trans | -103.3 | 163.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 166 | N | 36.5 | Very low | 40.6 | Very low | 167 Ų | 167 | 133.5 Ų | 133.5 | 89% | 0.893 | 75% | 0.753 | S | S | * | * | trans | 63.3 | 131.9 | 172.4 | -72.6 | 17.8 | 0 | 0 | 0 | 115.9 | ||||
| 167 | S | 37.9 | Very low | 40.9 | Very low | 99 Ų | 99 | 140 Ų | 140 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | cis | -171.9 | 177.3 | 30.1 | -157.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 168 | L | 38.9 | Very low | 40.3 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | 82.8 | 104.9 | 158.2 | -63.1 | 167.7 | 0 | 0 | 0 | 120.7 | ||||
| 169 | T | 38.6 | Very low | 40.1 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | 43.4 | 106.7 | 129.3 | 57.3 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 170 | A | 35.7 | Very low | 39.9 | Very low | 92 Ų | 92 | 138.6 Ų | 138.6 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | 75.3 | 108.4 | 76.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 171 | V | 41.4 | Very low | 40.2 | Very low | 134 Ų | 134 | 137.2 Ų | 137.2 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | -178 | 155 | 109.6 | -84 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 172 | N | 37.6 | Very low | 40.1 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | 17.8 | 144.3 | 154 | -56.6 | -42.8 | 0 | 0 | 0 | 120.8 | ||||
| 173 | G | 36.7 | Very low | 39.7 | Very low | 70 Ų | 70 | 133 Ų | 133 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | cis | 167.1 | 161.8 | 7.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 174 | A | 38.9 | Very low | 39.5 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | trans | -26 | 135.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 175 | S | 39.1 | Very low | 38.6 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | -172 | 146.5 | 106.9 | -78.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 176 | Q | 36.7 | Very low | 39 | Very low | 172 Ų | 172 | 137.7 Ų | 137.7 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -80.2 | 144.2 | 170.7 | -63.8 | -167.4 | -8.3 | 0 | 0 | 110.6 | ||||
| 177 | Y | 39.8 | Very low | 39.6 | Very low | 241 Ų | 241 | 134.6 Ų | 134.6 | 95% | 0.945 | 79% | 0.793 | S | S | * | * | trans | -147.7 | 142 | 130.6 | -81.3 | -64.4 | 0 | 0 | 0 | 110.1 | ||||
| 178 | Q | 34 | Very low | 40 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | trans | -112 | 128 | -177 | 178.1 | -168.6 | 101.4 | 0 | 0 | 107.8 | ||||
| 179 | L | 41.1 | Very low | 40.3 | Very low | 179 Ų | 179 | 135.6 Ų | 135.6 | 94% | 0.937 | 80% | 0.803 | S | S | * | * | trans | -164.8 | 138.4 | 159.5 | -105.3 | 149.7 | 0 | 0 | 0 | 110.1 | ||||
| 180 | S | 40.8 | Very low | 40.5 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | trans | -108.6 | -174 | -163.3 | -34.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 181 | P | 43.6 | Very low | 40.8 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | -117.5 | 155.9 | -129.7 | 35.2 | -17.3 | 0 | 0 | 0 | 115.2 | |||||
| 182 | I | 40 | Very low | 40.8 | Very low | 176 Ų | 176 | 135.8 Ų | 135.8 | 90% | 0.903 | 81% | 0.809 | S | S | * | * | trans | -132.5 | 126.6 | 161.7 | -66.6 | -179.5 | 0 | 0 | 0 | 107.5 | ||||
| 183 | G | 35.3 | Very low | 40.8 | Very low | 62 Ų | 62 | 136 Ų | 136 | 64% | 0.639 | 80% | 0.804 | S | S | * | * | trans | -99.1 | 158.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 184 | M | 41.8 | Very low | 40.8 | Very low | 176 Ų | 176 | 138.3 Ų | 138.3 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | -171.2 | 127 | 144.2 | -101.1 | -57.1 | 145.9 | 0 | 0 | 109.7 | ||||
| 185 | Q | 36.6 | Very low | 40.7 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | 54.3 | 139.1 | 145.6 | -150.5 | 170.3 | 20.7 | 0 | 0 | 121.1 | ||||
| 186 | P | 48.4 | Very low | 40.9 | Very low | 125 Ų | 125 | 143.7 Ų | 143.7 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | -131.3 | 161.7 | 123.9 | 36.2 | -28.2 | 0 | 0 | 0 | 114.5 | |||||
| 187 | S | 48.8 | Very low | 41.3 | Very low | 101 Ų | 101 | 144.1 Ų | 144.1 | 71% | 0.706 | 82% | 0.822 | S | S | * | * | trans | -70.8 | 158.6 | -170.3 | -47.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 188 | P | 45.3 | Very low | 41.6 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | -86.8 | 143.4 | 172.3 | 35 | -32.7 | 0 | 0 | 0 | 112.2 | ||||
| 189 | T | 46.3 | Very low | 42.3 | Very low | 143 Ų | 143 | 137 Ų | 137 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | trans | -133.7 | 135.4 | 158.9 | -59.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 190 | A | 43.3 | Very low | 42.7 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | trans | -77.7 | 146.2 | -163.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 191 | G | 41 | Very low | 43.1 | Very low | 71 Ų | 71 | 133 Ų | 133 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | trans | -175.6 | 100.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 192 | Q | 41.6 | Very low | 43.3 | Very low | 174 Ų | 174 | 135.7 Ų | 135.7 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | 72 | 111 | 159.9 | -56.6 | -178.2 | 16.4 | 0 | 0 | 120.4 | ||||
| 193 | Q | 38.9 | Very low | 44.1 | Very low | 166 Ų | 166 | 130.7 Ų | 130.7 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | 68.8 | 94.1 | 124.8 | -65 | 171.6 | -6 | 0 | 0 | 120.7 | |||||
| 194 | S | 34.9 | Very low | 45.2 | Very low | 120 Ų | 120 | 131 Ų | 131 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | 32 | 89.5 | 124.7 | -56.5 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 195 | Q | 37.8 | Very low | 46 | Very low | 187 Ų | 187 | 131.8 Ų | 131.8 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | 165.5 | 105.5 | 132.2 | -95.9 | -179 | 8 | 0 | 0 | 109.6 | ||||
| 196 | V | 43.4 | Very low | 47.3 | Very low | 139 Ų | 139 | 131.4 Ų | 131.4 | 84% | 0.842 | 76% | 0.76 | S | S | * | * | trans | 175.9 | 62.6 | 146.8 | -85.7 | 0 | 0 | 0 | 0 | 113.2 | A198 | V196-A198 PolarHBondContact O-N 3.28Š| ||
| 197 | N | 44.4 | Very low | 48.4 | Very low | 182 Ų | 182 | 131.6 Ų | 131.6 | 97% | 0.973 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 72.8 | 167.5 | -85.8 | 4.9 | 0 | 0 | 0 | 111.4 | ||
| 198 | A | 47.1 | Very low | 49.7 | Very low | 81 Ų | 81 | 132.5 Ų | 132.5 | 67% | 0.669 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.7 | -5.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | V196 | V196-A198 PolarHBondContact O-N 3.28Š|
| 199 | F | 48.8 | Very low | 51.4 | Low | 182 Ų | 182 | 132 Ų | 132 | 80% | 0.798 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -92.1 | -14.3 | -164.6 | -152.9 | -104.4 | 0 | 0 | 0 | 115.8 | G201 | F199-G201 PolarHBondContact O-N 3.34Š|
| 200 | N | 47.8 | Very low | 53.1 | Low | 152 Ų | 152 | 129.8 Ų | 129.8 | 81% | 0.813 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -5.4 | -170.9 | -144.8 | 31.9 | 0 | 0 | 0 | 115.2 | ||
| 201 | G | 49.6 | Very low | 55.1 | Low | 44 Ų | 44 | 129.6 Ų | 129.6 | 45% | 0.454 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -80.3 | -29.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | F199 Y205 | F199-G201 PolarHBondContact O-N 3.34Å; G201-Y205 PolarHBondContact O-N 2.89Å |
| 202 | Y | 49.2 | Very low | 57.2 | Low | 178 Ų | 178 | 131.5 Ų | 131.5 | 70% | 0.698 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -72.2 | -35.1 | -171.2 | -75.7 | -83.1 | 0 | 0 | 0 | 113.6 | H206 | Y202-H206 PolarHBondContact O-N 2.97Å; Y202-H206 VanDerWaalsContact O-N 3.1Å |
| 203 | A | 56.1 | Low | 59.3 | Low | 72 Ų | 72 | 128.4 Ų | 128.4 | 60% | 0.595 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -65.8 | -42.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | H206 H207 | A203-H206 PolarHBondContact O-N 3.31Å; A203-H207 PolarHBondContact O-N 2.86Å; A203-H207 VanDerWaalsContact O-N 3.12Å |
| 204 | A | 58.9 | Low | 61.5 | Low | 67 Ų | 67 | 125.7 Ų | 125.7 | 55% | 0.554 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -65 | -42.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | H206 H207 H208 | A204-H206 PolarHBondContact O-N 3.09Å; A204-H207 PolarHBondContact O-N 3.32Å; A204-H208 PolarHBondContact O-N 3.22Å |
| 205 | Y | 57.6 | Low | 63.9 | Low | 193 Ų | 193 | 126.3 Ų | 126.3 | 76% | 0.757 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -62 | -41.4 | 176.2 | -114.9 | -87.9 | 0 | 0 | 0 | 112.4 | G201 H209 | G201-Y205 PolarHBondContact O-N 2.89Å; Y205-H209 WeakPolarHBondContact O-CB 3.29Å; Y205-H209 PolarHBondContact O-N 2.97Å |
| 206 | H | 64.7 | Low | 66.3 | Low | 152 Ų | 152 | 123.8 Ų | 123.8 | 70% | 0.704 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.4 | -38.9 | 178.6 | -122.3 | -82.1 | 0 | 0 | 0 | 112.6 | Y202 A203 A204 H210 | Y202-H206 PolarHBondContact O-N 2.97Å; Y202-H206 VanDerWaalsContact O-N 3.1Å; A203-H206 PolarHBondContact O-N 3.31Å; A204-H206 PolarHBondContact O-N 3.09Å; H206-H210 WeakPolarHBondContact O-CB 3.29Å; H206-H210 PolarHBondContact O-N 3.25Å; H206-H210 VanDerWaalsContact O-N 3.1Å |
| 207 | H | 71.8 | Confident | 68.4 | Low | 130 Ų | 130 | 123.4 Ų | 123.4 | 60% | 0.602 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.7 | -45.5 | 176.7 | -163.4 | 87.7 | 0 | 0 | 0 | 111.6 | A203 A204 H209 H210 Q211 | A203-H207 PolarHBondContact O-N 2.86Å; A203-H207 VanDerWaalsContact O-N 3.12Å; A204-H207 PolarHBondContact O-N 3.32Å; H207-H209 PolarHBondContact O-N 2.95Å; H207-H210 PolarHBondContact O-N 3.34Å; H207-Q211 WeakPolarHBondContact O-CB 3.1Å; H207-Q211 PolarHBondContact O-N 3.45Å |
| 208 | H | 76.5 | Confident | 70.5 | Confident | 119 Ų | 119 | 121.4 Ų | 121.4 | 55% | 0.551 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.3 | -43.7 | 179.1 | -168.3 | 77.8 | 0 | 0 | 0 | 112.3 | A204 H210 Q211 Q212 | A204-H208 PolarHBondContact O-N 3.22Å; H208-H210 PolarHBondContact O-N 2.92Å; H208-Q211 PolarHBondContact O-N 2.92Å; H208-Q212 WeakPolarHBondContact O-CB 3.42Å; H208-Q212 PolarHBondContact O-N 3.11Å |
| 209 | H | 79.2 | Confident | 72.6 | Confident | 115 Ų | 115 | 124.1 Ų | 124.1 | 53% | 0.532 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.5 | -39.6 | 176.8 | -173.2 | -85.6 | 0 | 0 | 0 | 112.3 | Y205 H207 Q213 | Y205-H209 WeakPolarHBondContact O-CB 3.29Å; Y205-H209 PolarHBondContact O-N 2.97Å; H207-H209 PolarHBondContact O-N 2.95Å; H209-Q213 WeakPolarHBondContact O-CB 3.25Å; H209-Q213 PolarHBondContact O-N 3.48Å |
| 210 | H | 82.8 | Confident | 74.5 | Confident | 96 Ų | 96 | 119.4 Ų | 119.4 | 44% | 0.444 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.5 | -40.8 | 175.9 | -169.7 | 71.7 | 0 | 0 | 0 | 112.1 | H206 H207 H208 Q213 Q214 | H206-H210 WeakPolarHBondContact O-CB 3.29Å; H206-H210 PolarHBondContact O-N 3.25Å; H206-H210 VanDerWaalsContact O-N 3.1Å; H207-H210 PolarHBondContact O-N 3.34Å; H208-H210 PolarHBondContact O-N 2.92Å; H210-Q213 PolarHBondContact O-N 3.12Å; H210-Q214 PolarHBondContact CD2-NE2 2.9Å; H210-Q214 VanDerWaalsContact CD2-NE2 3.34Å; H210-Q214 PolarHBondContact NE2-NE2 3.41Å; H210-Q214 PolarHBondContact O-N 3.26Å |
| 211 | Q | 84.5 | Confident | 76.5 | Confident | 102 Ų | 102 | 118.1 Ų | 118.1 | 48% | 0.477 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.6 | -39.3 | 177.1 | -166 | 171 | 36.5 | 0 | 0 | 112.3 | H207 H208 Q213 Q214 Q215 | H207-Q211 WeakPolarHBondContact O-CB 3.1Å; H207-Q211 PolarHBondContact O-N 3.45Å; H208-Q211 PolarHBondContact O-N 2.92Å; Q211-Q213 VanDerWaalsContact C-N 3.35Å; Q211-Q214 PolarHBondContact O-N 3.08Å; Q211-Q215 PolarHBondContact O-N 3.14Å; Q211-Q215 VanDerWaalsContact O-N 3.1Å |
| 212 | Q | 85.5 | Confident | 78.4 | Confident | 111 Ų | 111 | 122.3 Ų | 122.3 | 52% | 0.519 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.1 | -39 | 173.5 | -171.2 | 174.3 | 62.5 | 0 | 0 | 111.9 | H208 Q215 Q216 | H208-Q212 WeakPolarHBondContact O-CB 3.42Å; H208-Q212 PolarHBondContact O-N 3.11Å; Q212-Q215 PolarHBondContact O-N 3.18Å; Q212-Q216 PolarHBondContact O-N 3.03Å; Q212-Q216 VanDerWaalsContact O-N 3.09Å |
| 213 | Q | 85.5 | Confident | 80.3 | Confident | 109 Ų | 109 | 119.5 Ų | 119.5 | 51% | 0.509 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65 | -38.1 | 175.3 | -169.2 | 172.5 | 51 | 0 | 0 | 112.3 | H209 H210 Q211 Q216 Q217 | H209-Q213 WeakPolarHBondContact O-CB 3.25Å; H209-Q213 PolarHBondContact O-N 3.48Å; H210-Q213 PolarHBondContact O-N 3.12Å; Q211-Q213 VanDerWaalsContact C-N 3.35Å; Q213-Q216 PolarHBondContact O-N 2.99Å; Q213-Q217 PolarHBondContact O-N 2.92Å; Q213-Q217 VanDerWaalsContact O-N 3.13Å |
| 214 | Q | 84.8 | Confident | 81.9 | Confident | 109 Ų | 109 | 120.7 Ų | 120.7 | 51% | 0.509 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.5 | -42.9 | 174.2 | -71.1 | -170.4 | 23.1 | 0 | 0 | 112.6 | H210 Q211 Q216 Q217 Q218 | H210-Q214 PolarHBondContact CD2-NE2 2.9Å; H210-Q214 VanDerWaalsContact CD2-NE2 3.34Å; H210-Q214 PolarHBondContact NE2-NE2 3.41Å; H210-Q214 PolarHBondContact O-N 3.26Å; Q211-Q214 PolarHBondContact O-N 3.08Å; Q214-Q216 VanDerWaalsContact C-N 3.34Å; Q214-Q216 PolarHBondContact O-N 3.42Å; Q214-Q217 PolarHBondContact O-N 2.92Å; Q214-Q218 PolarHBondContact O-N 3.3Å |
| 215 | Q | 86.8 | Confident | 83.3 | Confident | 132 Ų | 132 | 123.7 Ų | 123.7 | 62% | 0.617 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -59.9 | -43.6 | 175 | -78.5 | -170.1 | 8.3 | 0 | 0 | 112.1 | Q211 Q212 Q217 Q218 Q219 | Q211-Q215 PolarHBondContact O-N 3.14Å; Q211-Q215 VanDerWaalsContact O-N 3.1Å; Q212-Q215 PolarHBondContact O-N 3.18Å; Q215-Q217 VanDerWaalsContact C-N 3.26Å; Q215-Q217 PolarHBondContact O-N 3.17Å; Q215-Q218 PolarHBondContact O-N 2.93Å; Q215-Q219 PolarHBondContact O-N 3.17Å; Q215-Q219 VanDerWaalsContact O-N 3.07Å |
| 216 | Q | 87.7 | Confident | 84.8 | Confident | 135 Ų | 135 | 120.6 Ų | 120.6 | 63% | 0.631 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.3 | -33.5 | 179.5 | -161.4 | 176.7 | 95.3 | 0 | 0 | 112 | Q212 Q213 Q214 Q220 | Q212-Q216 PolarHBondContact O-N 3.03Å; Q212-Q216 VanDerWaalsContact O-N 3.09Å; Q213-Q216 PolarHBondContact O-N 2.99Å; Q214-Q216 VanDerWaalsContact C-N 3.34Å; Q214-Q216 PolarHBondContact O-N 3.42Å; Q216-Q220 PolarHBondContact O-N 2.93Å |
| 217 | Q | 88.4 | Confident | 86 | Confident | 131 Ų | 131 | 118.4 Ų | 118.4 | 61% | 0.612 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -71.4 | -38.7 | 175.9 | -158.5 | 175.1 | 101.1 | 0 | 0 | 112.6 | Q213 Q214 Q215 Q220 Q221 | Q213-Q217 PolarHBondContact O-N 2.92Å; Q213-Q217 VanDerWaalsContact O-N 3.13Å; Q214-Q217 PolarHBondContact O-N 2.92Å; Q215-Q217 VanDerWaalsContact C-N 3.26Å; Q215-Q217 PolarHBondContact O-N 3.17Å; Q217-Q220 PolarHBondContact O-N 3.29Å; Q217-Q221 PolarHBondContact O-N 3.27Å |
| 218 | Q | 88.5 | Confident | 86.8 | Confident | 139 Ų | 139 | 118 Ų | 118 | 65% | 0.65 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.2 | -43.8 | 172.2 | -89.9 | -171.9 | 24.9 | 0 | 0 | 112.5 | Q214 Q215 Q220 Q221 Q222 | Q214-Q218 PolarHBondContact O-N 3.3Å; Q215-Q218 PolarHBondContact O-N 2.93Å; Q218-Q220 VanDerWaalsContact C-N 3.29Å; Q218-Q220 PolarHBondContact O-N 3.34Å; Q218-Q221 WeakPolarHBondContact O-CB 3.11Å; Q218-Q221 PolarHBondContact O-N 3.12Å; Q218-Q221 VanDerWaalsContact O-N 3.14Å; Q218-Q222 PolarHBondContact O-N 2.88Å; Q218-Q222 VanDerWaalsContact O-N 3.14Å |
| 219 | Q | 89.5 | Confident | 87.2 | Confident | 139 Ų | 139 | 118.2 Ų | 118.2 | 65% | 0.65 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.8 | -40.3 | 178.2 | -119.5 | -177.5 | 56.4 | 0 | 0 | 111.9 | Q215 Q221 Q222 Q223 | Q215-Q219 PolarHBondContact O-N 3.17Å; Q215-Q219 VanDerWaalsContact O-N 3.07Å; Q219-Q221 VanDerWaalsContact C-N 3.31Å; Q219-Q221 PolarHBondContact O-N 3.32Å; Q219-Q222 PolarHBondContact O-N 2.96Å; Q219-Q223 PolarHBondContact O-N 3.18Å |
| 220 | Q | 89.3 | Confident | 87.6 | Confident | 83 Ų | 83 | 118.3 Ų | 118.3 | 39% | 0.388 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.9 | -32.3 | 178 | -157.6 | 173.3 | 106.3 | 0 | 0 | 112.3 | Q216 Q217 Q218 Q224 | Q216-Q220 PolarHBondContact O-N 2.93Å; Q217-Q220 PolarHBondContact O-N 3.29Å; Q218-Q220 VanDerWaalsContact C-N 3.29Å; Q218-Q220 PolarHBondContact O-N 3.34Å; Q220-Q224 PolarHBondContact O-N 3.37Å |
| 221 | Q | 89.2 | Confident | 87.6 | Confident | 125 Ų | 125 | 118.9 Ų | 118.9 | 58% | 0.584 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.8 | -43.6 | 175.1 | -118 | -177.3 | 64.1 | 0 | 0 | 112.7 | Q217 Q218 Q219 Q223 Q224 Q225 | Q217-Q221 PolarHBondContact O-N 3.27Å; Q218-Q221 WeakPolarHBondContact O-CB 3.11Å; Q218-Q221 PolarHBondContact O-N 3.12Å; Q218-Q221 VanDerWaalsContact O-N 3.14Å; Q219-Q221 VanDerWaalsContact C-N 3.31Å; Q219-Q221 PolarHBondContact O-N 3.32Å; Q221-Q223 VanDerWaalsContact C-N 3.32Å; Q221-Q223 PolarHBondContact O-N 3.25Å; Q221-Q224 PolarHBondContact O-N 3.26Å; Q221-Q225 PolarHBondContact O-N 2.98Å |
| 222 | Q | 89.7 | Confident | 87.5 | Confident | 132 Ų | 132 | 120.3 Ų | 120.3 | 62% | 0.617 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -60.6 | -41.5 | 174.8 | -79.1 | -169.8 | 15.3 | 0 | 0 | 112.1 | Q218 Q219 Q224 Q225 Q226 | Q218-Q222 PolarHBondContact O-N 2.88Å; Q218-Q222 VanDerWaalsContact O-N 3.14Å; Q219-Q222 PolarHBondContact O-N 2.96Å; Q222-Q224 PolarHBondContact O-N 2.97Å; Q222-Q225 PolarHBondContact O-N 3.39Å; Q222-Q226 PolarHBondContact O-N 2.8Å; Q222-Q226 VanDerWaalsContact O-N 3.16Å |
| 223 | Q | 89.9 | Confident | 87.2 | Confident | 119 Ų | 119 | 120.8 Ų | 120.8 | 56% | 0.556 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64 | -32.5 | 179.6 | -147.7 | 178.7 | 93.5 | 0 | 0 | 111.9 | Q219 Q221 Q227 | Q219-Q223 PolarHBondContact O-N 3.18Å; Q221-Q223 VanDerWaalsContact C-N 3.32Å; Q221-Q223 PolarHBondContact O-N 3.25Å; Q223-Q227 PolarHBondContact O-N 3Å |
| 224 | Q | 89.7 | Confident | 86.8 | Confident | 97 Ų | 97 | 121.5 Ų | 121.5 | 45% | 0.453 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -72.8 | -35 | 176.2 | -152.3 | 177.6 | 101.6 | 0 | 0 | 112.6 | Q220 Q221 Q222 Q227 Q228 | Q220-Q224 PolarHBondContact O-N 3.37Å; Q221-Q224 PolarHBondContact O-N 3.26Å; Q222-Q224 PolarHBondContact O-N 2.97Å; Q224-Q227 PolarHBondContact O-N 3Å; Q224-Q228 PolarHBondContact O-N 3.06Å |
| 225 | Q | 88.7 | Confident | 86.2 | Confident | 129 Ų | 129 | 122 Ų | 122 | 60% | 0.603 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.4 | -41.2 | 172.5 | -74.8 | -169.1 | 19.1 | 0 | 0 | 112.6 | Q221 Q222 Q227 Q228 Q229 | Q221-Q225 PolarHBondContact O-N 2.98Å; Q222-Q225 PolarHBondContact O-N 3.39Å; Q225-Q227 VanDerWaalsContact C-N 3.3Å; Q225-Q227 PolarHBondContact O-N 3.08Å; Q225-Q228 PolarHBondContact O-N 2.96Å; Q225-Q229 PolarHBondContact O-N 2.82Å; Q225-Q229 VanDerWaalsContact O-N 3.12Å |
| 226 | Q | 89.3 | Confident | 85.1 | Confident | 129 Ų | 129 | 119.1 Ų | 119.1 | 60% | 0.603 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.2 | -38.3 | 175.6 | -76 | -169.2 | 17.5 | 0 | 0 | 112.3 | Q222 Q228 Q229 Q230 | Q222-Q226 PolarHBondContact O-N 2.8Å; Q222-Q226 VanDerWaalsContact O-N 3.16Å; Q226-Q228 PolarHBondContact O-N 3.31Å; Q226-Q229 PolarHBondContact O-N 3.37Å; Q226-Q230 PolarHBondContact O-N 3.05Å; Q226-Q230 VanDerWaalsContact O-N 3.08Å |
| 227 | Q | 88.5 | Confident | 84 | Confident | 106 Ų | 106 | 119 Ų | 119 | 50% | 0.495 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.9 | -37.3 | 174.7 | -94.8 | -175 | 47.5 | 0 | 0 | 113.1 | Q223 Q224 Q225 Q230 Q231 | Q223-Q227 PolarHBondContact O-N 3Å; Q224-Q227 PolarHBondContact O-N 3Å; Q225-Q227 VanDerWaalsContact C-N 3.3Å; Q225-Q227 PolarHBondContact O-N 3.08Å; Q227-Q230 PolarHBondContact O-N 2.81Å; Q227-Q231 PolarHBondContact O-N 3.44Å |
| 228 | Q | 88 | Confident | 82.5 | Confident | 120 Ų | 120 | 122.1 Ų | 122.1 | 56% | 0.561 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66 | -40.7 | 174.7 | -74.1 | -168.8 | 26.5 | 0 | 0 | 112.3 | Q224 Q225 Q226 Q230 Q231 Q232 | Q224-Q228 PolarHBondContact O-N 3.06Å; Q225-Q228 PolarHBondContact O-N 2.96Å; Q226-Q228 PolarHBondContact O-N 3.31Å; Q228-Q230 PolarHBondContact O-N 3.38Å; Q228-Q231 PolarHBondContact O-N 2.84Å; Q228-Q232 PolarHBondContact O-N 2.85Å |
| 229 | Q | 86.6 | Confident | 80.8 | Confident | 125 Ų | 125 | 119.8 Ų | 119.8 | 58% | 0.584 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.6 | -41.4 | 175.5 | -71.8 | -169.4 | 16.6 | 0 | 0 | 112.1 | Q225 Q226 Q231 Q232 Q233 | Q225-Q229 PolarHBondContact O-N 2.82Å; Q225-Q229 VanDerWaalsContact O-N 3.12Å; Q226-Q229 PolarHBondContact O-N 3.37Å; Q229-Q231 PolarHBondContact O-N 2.93Å; Q229-Q232 PolarHBondContact O-N 3.3Å; Q229-Q233 WeakPolarHBondContact O-CG 3.41Å; Q229-Q233 PolarHBondContact O-N 3.21Å |
| 230 | Q | 85.8 | Confident | 79 | Confident | 116 Ų | 116 | 123.5 Ų | 123.5 | 54% | 0.542 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.5 | -39.1 | 174.5 | -73.9 | -169.2 | 19.8 | 0 | 0 | 112.6 | Q226 Q227 Q228 Q233 Q234 | Q226-Q230 PolarHBondContact O-N 3.05Å; Q226-Q230 VanDerWaalsContact O-N 3.08Å; Q227-Q230 PolarHBondContact O-N 2.81Å; Q228-Q230 PolarHBondContact O-N 3.38Å; Q230-Q233 PolarHBondContact O-N 2.99Å; Q230-Q234 WeakPolarHBondContact O-CG 3.17Å; Q230-Q234 PolarHBondContact O-N 2.7Å |
| 231 | Q | 84.2 | Confident | 77.1 | Confident | 109 Ų | 109 | 124.6 Ų | 124.6 | 51% | 0.509 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.8 | -40.7 | 175.4 | -79.8 | -168.3 | 41.1 | 0 | 0 | 112.6 | Q227 Q228 Q229 Q234 Q235 | Q227-Q231 PolarHBondContact O-N 3.44Å; Q228-Q231 PolarHBondContact O-N 2.84Å; Q229-Q231 PolarHBondContact O-N 2.93Å; Q231-Q234 PolarHBondContact O-N 3.26Å; Q231-Q235 WeakPolarHBondContact O-CG 3.44Å; Q231-Q235 PolarHBondContact O-N 3.44Å |
| 232 | Q | 81.7 | Confident | 75.3 | Confident | 132 Ų | 132 | 124.6 Ų | 124.6 | 62% | 0.617 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.1 | -44.1 | 174.8 | -75.4 | -171.9 | 18.2 | 0 | 0 | 111.7 | Q228 Q229 Q234 Q235 S236 | Q228-Q232 PolarHBondContact O-N 2.85Å; Q229-Q232 PolarHBondContact O-N 3.3Å; Q232-Q234 VanDerWaalsContact C-N 3.35Å; Q232-Q234 PolarHBondContact O-N 3.44Å; Q232-Q235 PolarHBondContact O-N 3.17Å; Q232-S236 PolarHBondContact O-N 2.96Å; Q232-S236 PolarHBondContact O-OG 2.88Å |
| 233 | Q | 79.6 | Confident | 72.9 | Confident | 120 Ų | 120 | 123.2 Ų | 123.2 | 56% | 0.561 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -61.6 | -40.5 | 176.6 | -69.7 | -176 | 25.2 | 0 | 0 | 112.6 | Q229 Q230 S236 Q237 | Q229-Q233 WeakPolarHBondContact O-CG 3.41Å; Q229-Q233 PolarHBondContact O-N 3.21Å; Q230-Q233 PolarHBondContact O-N 2.99Å; Q233-S236 PolarHBondContact O-N 3Å; Q233-Q237 WeakPolarHBondContact O-CG 3.42Å; Q233-Q237 PolarHBondContact O-N 3.3Å |
| 234 | Q | 76.7 | Confident | 70.8 | Confident | 125 Ų | 125 | 121.9 Ų | 121.9 | 58% | 0.584 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.2 | -37.2 | 174.7 | -72.5 | -177.6 | 41.2 | 0 | 0 | 112.4 | Q230 Q231 Q232 Q237 R238 | Q230-Q234 WeakPolarHBondContact O-CG 3.17Å; Q230-Q234 PolarHBondContact O-N 2.7Å; Q231-Q234 PolarHBondContact O-N 3.26Å; Q232-Q234 VanDerWaalsContact C-N 3.35Å; Q232-Q234 PolarHBondContact O-N 3.44Å; Q234-Q237 PolarHBondContact O-N 3.27Å; Q234-R238 WeakPolarHBondContact O-CB 3.33Å; Q234-R238 PolarHBondContact O-N 3.36Å |
| 235 | Q | 72.6 | Confident | 68.4 | Low | 120 Ų | 120 | 126.4 Ų | 126.4 | 56% | 0.561 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68 | -40.3 | 175.2 | -72 | -178.6 | 28.2 | 0 | 0 | 112.1 | Q231 Q232 Q237 R238 T239 | Q231-Q235 WeakPolarHBondContact O-CG 3.44Å; Q231-Q235 PolarHBondContact O-N 3.44Å; Q232-Q235 PolarHBondContact O-N 3.17Å; Q235-Q237 VanDerWaalsContact C-N 3.33Å; Q235-Q237 PolarHBondContact O-N 3.36Å; Q235-R238 PolarHBondContact O-N 2.94Å; Q235-T239 PolarHBondContact O-N 2.85Å; Q235-T239 PolarHBondContact O-OG1 3.42Å; Q235-T239 VanDerWaalsContact O-OG1 3.11Å |
| 236 | S | 64.4 | Low | 66.3 | Low | 71 Ų | 71 | 128.5 Ų | 128.5 | 50% | 0.497 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -66.6 | -29.9 | 174.3 | -63.2 | 0 | 0 | 0 | 0 | 113.7 | Q232 Q233 T239 R240 | Q232-S236 PolarHBondContact O-N 2.96Å; Q232-S236 PolarHBondContact O-OG 2.88Å; Q233-S236 PolarHBondContact O-N 3Å; S236-T239 WeakPolarHBondContact CA-OG1 3.45Å; S236-T239 PolarHBondContact O-OG1 3.46Å; S236-R240 WeakPolarHBondContact O-CG 3.32Å; S236-R240 PolarHBondContact O-N 2.88Å |
| 237 | Q | 62.6 | Low | 63.9 | Low | 133 Ų | 133 | 134.2 Ų | 134.2 | 62% | 0.621 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -75.8 | -36.4 | 171.5 | -71.4 | -174.5 | 56.1 | 0 | 0 | 112 | Q233 Q234 Q235 R240 T241 | Q233-Q237 WeakPolarHBondContact O-CG 3.42Å; Q233-Q237 PolarHBondContact O-N 3.3Å; Q234-Q237 PolarHBondContact O-N 3.27Å; Q235-Q237 VanDerWaalsContact C-N 3.33Å; Q235-Q237 PolarHBondContact O-N 3.36Å; Q237-R240 PolarHBondContact O-N 3.16Å; Q237-T241 PolarHBondContact O-N 3.5Å; Q237-T241 PolarHBondContact O-OG1 3.13Å |
| 238 | R | 57.6 | Low | 61.6 | Low | 195 Ų | 195 | 133.9 Ų | 133.9 | 74% | 0.736 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -63.2 | -44.6 | 171.9 | -97.7 | -178.8 | 149.4 | -174.7 | -7.8 | 112.7 | Q234 Q235 R240 T241 V242 | Q234-R238 WeakPolarHBondContact O-CB 3.33Å; Q234-R238 PolarHBondContact O-N 3.36Å; Q235-R238 PolarHBondContact O-N 2.94Å; R238-R240 VanDerWaalsContact C-N 3.26Å; R238-R240 PolarHBondContact O-N 2.82Å; R238-T241 WeakPolarHBondContact CA-OG1 3.48Å; R238-T241 PolarHBondContact O-N 3.18Å; R238-T241 PolarHBondContact O-OG1 3.41Å; R238-T241 VanDerWaalsContact O-OG1 3.05Å; R238-V242 PolarHBondContact O-N 3.42Å |
| 239 | T | 53.4 | Low | 59.6 | Low | 91 Ų | 91 | 134.2 Ų | 134.2 | 56% | 0.558 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -68.5 | -24.1 | 177.5 | 48.3 | 0 | 0 | 0 | 0 | 113.3 | Q235 S236 S243 | Q235-T239 PolarHBondContact O-N 2.85Å; Q235-T239 PolarHBondContact O-OG1 3.42Å; Q235-T239 VanDerWaalsContact O-OG1 3.11Å; S236-T239 WeakPolarHBondContact CA-OG1 3.45Å; S236-T239 PolarHBondContact O-OG1 3.46Å; T239-S243 PolarHBondContact O-OG 3.41Å |
| 240 | R | 51.6 | Low | 57.4 | Low | 216 Ų | 216 | 137.7 Ų | 137.7 | 82% | 0.815 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -76.2 | -15.7 | 169.5 | -76.6 | -175.5 | 175 | -166.2 | -1 | 114.7 | S236 Q237 R238 | S236-R240 WeakPolarHBondContact O-CG 3.32Å; S236-R240 PolarHBondContact O-N 2.88Å; Q237-R240 PolarHBondContact O-N 3.16Å; R238-R240 VanDerWaalsContact C-N 3.26Å; R238-R240 PolarHBondContact O-N 2.82Å |
| 241 | T | 50.1 | Low | 55.3 | Low | 107 Ų | 107 | 144.1 Ų | 144.1 | 66% | 0.656 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -102.5 | -6.2 | -178.6 | 35.7 | 0 | 0 | 0 | 0 | 114.9 | Q237 R238 | Q237-T241 PolarHBondContact O-N 3.5Å; Q237-T241 PolarHBondContact O-OG1 3.13Å; R238-T241 WeakPolarHBondContact CA-OG1 3.48Å; R238-T241 PolarHBondContact O-N 3.18Å; R238-T241 PolarHBondContact O-OG1 3.41Å; R238-T241 VanDerWaalsContact O-OG1 3.05Å |
| 242 | V | 49.7 | Very low | 53.4 | Low | 124 Ų | 124 | 142.8 Ų | 142.8 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -108.4 | 20.4 | 172.9 | -67.6 | 0 | 0 | 0 | 0 | 114.4 | R238 | R238-V242 PolarHBondContact O-N 3.42Š|
| 243 | S | 40.4 | Very low | 51.4 | Low | 104 Ų | 104 | 142.9 Ų | 142.9 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -127.4 | 16.8 | -179.9 | -54 | 0 | 0 | 0 | 0 | 114.5 | T239 | T239-S243 PolarHBondContact O-OG 3.41Š|
| 244 | A | 45.2 | Very low | 49.8 | Very low | 91 Ų | 91 | 146.6 Ų | 146.6 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -111.2 | -12.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 245 | E | 40.3 | Very low | 47.9 | Very low | 192 Ų | 192 | 146.1 Ų | 146.1 | 90% | 0.897 | 75% | 0.75 | S | S | * | * | trans | -109.2 | 60.2 | -168.2 | -160.4 | 154.9 | 112.7 | 0 | 0 | 112.7 | ||||
| 246 | L | 43 | Very low | 46.6 | Very low | 173 Ų | 173 | 147.1 Ų | 147.1 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | trans | -156.9 | 61.9 | 177.2 | -110.1 | 147.4 | 0 | 0 | 0 | 111.7 | ||||
| 247 | R | 39.8 | Very low | 45.3 | Very low | 248 Ų | 248 | 150.9 Ų | 150.9 | 94% | 0.936 | 77% | 0.772 | S | S | * | * | trans | -149.9 | 117 | 171 | -159.4 | 138.8 | 151.2 | 177.2 | -10.7 | 113.5 | ||||
| 248 | S | 39.8 | Very low | 44.5 | Very low | 99 Ų | 99 | 150.1 Ų | 150.1 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | trans | -53.7 | 165.7 | -179.4 | -153.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 249 | P | 46.8 | Very low | 43.3 | Very low | 128 Ų | 128 | 146.2 Ų | 146.2 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | -144.6 | 170.5 | 89.5 | 38.3 | -21.8 | 0 | 0 | 0 | 117.8 | |||||
| 250 | K | 40.2 | Very low | 42.8 | Very low | 197 Ų | 197 | 152 Ų | 152 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -78 | 148.5 | -175 | -57.6 | 169.5 | 175 | 177.5 | 0 | 115.6 | ||||
| 251 | R | 40.8 | Very low | 42.2 | Very low | 251 Ų | 251 | 148.7 Ų | 148.7 | 95% | 0.947 | 78% | 0.778 | S | S | * | * | trans | 178.6 | 149.6 | 139.3 | -109.3 | 179.7 | 161.2 | 155.1 | -4.5 | 107.4 | ||||
| 252 | A | 44.3 | Very low | 41.7 | Very low | 81 Ų | 81 | 148 Ų | 148 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | cis | -178.7 | 153.6 | -21.3 | 0 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 253 | D | 40.5 | Very low | 41.3 | Very low | 134 Ų | 134 | 145.5 Ų | 145.5 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | trans | -5.4 | 134.4 | 174 | -66.8 | -96.4 | 0 | 0 | 0 | 121.3 | ||||
| 254 | Q | 45.8 | Very low | 41.6 | Very low | 199 Ų | 199 | 145.4 Ų | 145.4 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | -159.5 | 145.4 | 95 | -103.7 | 169.4 | 110 | 0 | 0 | 114.2 | |||||
| 255 | V | 37.4 | Very low | 41.3 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | -94.1 | 138.2 | -177.3 | 170.3 | 0 | 0 | 0 | 0 | 110.2 | K257 | V255-K257 HydrophobicContact CG1-CB 4.5Š| ||
| 256 | T | 45 | Very low | 41.3 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 87% | 0.865 | 77% | 0.774 | S | S | * | * | trans | -139.2 | 128.5 | 144.4 | -64.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 257 | K | 37.9 | Very low | 41.2 | Very low | 151 Ų | 151 | 142.7 Ų | 142.7 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | trans | -118.3 | 129.7 | -174.8 | 176.5 | -167 | 180 | -166.4 | 0 | 108.7 | V255 | V255-K257 HydrophobicContact CG1-CB 4.5Š| ||
| 258 | V | 43.8 | Very low | 41.3 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 70% | 0.703 | 76% | 0.763 | S | S | * | * | trans | -133.3 | 135.9 | 159.3 | -175.8 | 0 | 0 | 0 | 0 | 108 | Y260 | V258-Y260 HydrophobicContact CG1-CD2 4.19Å; V258-Y260 HydrophobicContact CG1-CE2 3.43Å; V258-Y260 VanDerWaalsContact CG1-CE2 3.43Å | ||
| 259 | Q | 33.9 | Very low | 41.1 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 53% | 0.533 | 76% | 0.761 | S | S | . | * | trans | -144.1 | 120.6 | -163.8 | 164.2 | -164.5 | -31.5 | 0 | 0 | 108.4 | ||||
| 260 | Y | 43 | Very low | 40.6 | Very low | 211 Ų | 211 | 141.1 Ų | 141.1 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | trans | -161 | 157.6 | 159.4 | -40 | -82.6 | 0 | 0 | 0 | 107.7 | V258 | V258-Y260 HydrophobicContact CG1-CD2 4.19Å; V258-Y260 HydrophobicContact CG1-CE2 3.43Å; V258-Y260 VanDerWaalsContact CG1-CE2 3.43Å | ||
| 261 | D | 39.3 | Very low | 40.5 | Very low | 147 Ų | 147 | 136.5 Ų | 136.5 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | -143.9 | 178.6 | -57.9 | -161.8 | -93.9 | 0 | 0 | 0 | 106.7 | |||||
| 262 | A | 38.8 | Very low | 40.4 | Very low | 93 Ų | 93 | 130.3 Ų | 130.3 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | -91 | 162.6 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 263 | G | 40.5 | Very low | 40 | Very low | 72 Ų | 72 | 132 Ų | 132 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | trans | 161 | 101.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 264 | A | 47.2 | Very low | 39.8 | Very low | 101 Ų | 101 | 131.1 Ų | 131.1 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | trans | 59.1 | 142.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | F266 | A264-F266 HydrophobicContact CB-CE1 4.43Š| ||
| 265 | G | 38.8 | Very low | 39.5 | Very low | 47 Ų | 47 | 127.3 Ų | 127.3 | 49% | 0.485 | 74% | 0.738 | S | S | . | * | cis | 164.7 | 179.3 | -0.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 266 | F | 41.7 | Very low | 39.4 | Very low | 199 Ų | 199 | 128.5 Ų | 128.5 | 87% | 0.873 | 74% | 0.74 | S | S | * | * | trans | 63.2 | 131.8 | 166.8 | 27.8 | -84.5 | 0 | 0 | 0 | 119.4 | A264 | A264-F266 HydrophobicContact CB-CE1 4.43Š| ||
| 267 | D | 39.2 | Very low | 39 | Very low | 154 Ų | 154 | 129.4 Ų | 129.4 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | trans | -90.3 | 158.7 | -167.2 | -82.1 | -88.5 | 0 | 0 | 0 | 115.3 | ||||
| 268 | F | 42.1 | Very low | 38.8 | Very low | 182 Ų | 182 | 125.2 Ų | 125.2 | 80% | 0.798 | 74% | 0.738 | S | S | * | * | trans | 50.7 | 117.7 | 136.2 | -149.4 | -111.6 | 0 | 0 | 0 | 117.7 | ||||
| 269 | D | 37.2 | Very low | 38.5 | Very low | 121 Ų | 121 | 125.2 Ų | 125.2 | 65% | 0.647 | 74% | 0.743 | S | S | * | * | -172.2 | 156.2 | 61.1 | -153.9 | -8.4 | 0 | 0 | 0 | 113.8 | |||||
| 270 | N | 35.9 | Very low | 38.7 | Very low | 139 Ų | 139 | 125.3 Ų | 125.3 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | 38.1 | 92.9 | 155 | -159.2 | 7.6 | 0 | 0 | 0 | 121.3 | ||||
| 271 | A | 37 | Very low | 38.6 | Very low | 100 Ų | 100 | 123.4 Ų | 123.4 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | trans | -88.5 | 126.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 272 | T | 38.6 | Very low | 38.6 | Very low | 120 Ų | 120 | 120.2 Ų | 120.2 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | -90.6 | 146.9 | 163.7 | -68.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 273 | T | 36.8 | Very low | 38.8 | Very low | 118 Ų | 118 | 120.8 Ų | 120.8 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | trans | 81.2 | 114.9 | 153.9 | -80.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 274 | T | 36.5 | Very low | 38.8 | Very low | 115 Ų | 115 | 123.7 Ų | 123.7 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | 81.9 | 158.7 | 134.8 | -67.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 275 | T | 38.3 | Very low | 38.6 | Very low | 118 Ų | 118 | 123.7 Ų | 123.7 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | trans | 75.2 | 134.3 | 165.9 | 13.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 276 | L | 36.8 | Very low | 38.6 | Very low | 140 Ų | 140 | 129.5 Ų | 129.5 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | cis | 175.1 | 160.5 | -18.7 | -112 | -177.3 | 0 | 0 | 0 | 104.5 | ||||
| 277 | L | 36.6 | Very low | 38.5 | Very low | 159 Ų | 159 | 124 Ų | 124 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | 60.9 | 115.5 | 152.4 | -65.8 | 158.4 | 0 | 0 | 0 | 121 | ||||
| 278 | G | 33.8 | Very low | 38.6 | Very low | 64 Ų | 64 | 125 Ų | 125 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | 111.9 | 116.5 | 103.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 279 | S | 37.2 | Very low | 38.4 | Very low | 115 Ų | 115 | 125.4 Ų | 125.4 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | 66.7 | 152.9 | 146.8 | -59.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 280 | T | 37.9 | Very low | 38.6 | Very low | 117 Ų | 117 | 123.2 Ų | 123.2 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | cis | -164.7 | 157.1 | -16.4 | 22.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 281 | N | 40.3 | Very low | 38.9 | Very low | 171 Ų | 171 | 122.5 Ų | 122.5 | 91% | 0.914 | 78% | 0.782 | S | S | * | * | trans | -179.4 | 144.2 | 137 | -91.2 | -23.3 | 0 | 0 | 0 | 110.3 | ||||
| 282 | G | 38.9 | Very low | 39 | Very low | 79 Ų | 79 | 125.5 Ų | 125.5 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | trans | -132.7 | 178.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 283 | A | 44.5 | Very low | 39.2 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | trans | -145.3 | 96.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 284 | N | 39 | Very low | 39.3 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | -1.7 | 131.3 | 151.5 | -171.3 | 18.6 | 0 | 0 | 0 | 120.3 | ||||
| 285 | A | 43.7 | Very low | 39.6 | Very low | 101 Ų | 101 | 131.6 Ų | 131.6 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -147.7 | 122.8 | 139.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 286 | Q | 39.3 | Very low | 39.8 | Very low | 169 Ų | 169 | 131.2 Ų | 131.2 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -75.2 | 172.4 | 178.9 | -67 | 158.8 | -61.1 | 0 | 0 | 111.9 | ||||
| 287 | A | 38.3 | Very low | 40.6 | Very low | 85 Ų | 85 | 129.9 Ų | 129.9 | 70% | 0.702 | 80% | 0.798 | S | S | * | * | cis | -177.9 | 154.7 | -28.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 288 | L | 42.5 | Very low | 41.1 | Very low | 175 Ų | 175 | 130.6 Ų | 130.6 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | trans | 176.1 | 154 | 139.9 | -97.1 | 159.1 | 0 | 0 | 0 | 112.8 | ||||
| 289 | H | 37.9 | Very low | 41.8 | Very low | 189 Ų | 189 | 133.4 Ų | 133.4 | 88% | 0.875 | 80% | 0.804 | S | S | * | * | trans | -86.6 | 160.1 | -167.8 | -81 | 87.9 | 0 | 0 | 0 | 114.6 | ||||
| 290 | G | 40.9 | Very low | 42.8 | Very low | 75 Ų | 75 | 134 Ų | 134 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -176.9 | 58.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 291 | T | 42.8 | Very low | 43.2 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | trans | 5.6 | 131.6 | 161.9 | -50.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 292 | H | 37.8 | Very low | 43.8 | Very low | 164 Ų | 164 | 132.5 Ų | 132.5 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | -0.1 | 139.6 | 149.4 | -94.2 | -129.8 | 0 | 0 | 0 | 119.4 | ||||
| 293 | H | 43.6 | Very low | 44 | Very low | 189 Ų | 189 | 134.8 Ų | 134.8 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | -158.2 | 144.2 | 113.3 | -78.9 | -47.3 | 0 | 0 | 0 | 111.5 | |||||
| 294 | S | 37.8 | Very low | 44.1 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -80.6 | 145.3 | 177 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 295 | M | 43 | Very low | 44.2 | Very low | 185 Ų | 185 | 140.1 Ų | 140.1 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | -165.7 | 145.4 | 130 | -74.4 | -132.9 | 169.5 | 0 | 0 | 111 | |||||
| 296 | S | 43.8 | Very low | 44.1 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -117.5 | -172.5 | 163 | -57.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 297 | P | 52.3 | Low | 44.1 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | cis | -134 | -165.5 | -7.1 | 28.9 | -4.4 | 0 | 0 | 0 | 113.5 | ||||
| 298 | M | 47.2 | Very low | 44.2 | Very low | 173 Ų | 173 | 136.8 Ų | 136.8 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | trans | 135.3 | 135.9 | 131.8 | -69.1 | -172 | 81.4 | 0 | 0 | 115.8 | ||||
| 299 | V | 50.1 | Low | 44.4 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -116 | 143.7 | 168.4 | -70.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 300 | P | 56.5 | Low | 44.5 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -92 | 119.6 | 175.6 | 32.8 | -29.8 | 0 | 0 | 0 | 111.7 | ||||
| 301 | T | 48 | Very low | 44.3 | Very low | 123 Ų | 123 | 134 Ų | 134 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | -107.6 | 121.5 | 161.5 | -67 | 0 | 0 | 0 | 0 | 108 | ||||
| 302 | T | 52.2 | Low | 44.4 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | trans | -95.2 | 111.5 | 172.9 | -59.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 303 | V | 44 | Very low | 44.2 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | trans | -94.2 | 143.3 | 158.4 | -71.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 304 | N | 45.1 | Very low | 44 | Very low | 162 Ų | 162 | 134.9 Ų | 134.9 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | trans | -132.4 | 124.3 | 168.7 | -160.1 | 44 | 0 | 0 | 0 | 109 | ||||
| 305 | M | 40.7 | Very low | 44.2 | Very low | 189 Ų | 189 | 134.4 Ų | 134.4 | 93% | 0.931 | 82% | 0.817 | S | S | * | * | trans | -138.4 | 106.4 | -170 | -167.1 | -169.3 | -161.3 | 0 | 0 | 110.1 | ||||
| 306 | A | 42 | Very low | 44.3 | Very low | 105 Ų | 105 | 129.7 Ų | 129.7 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | trans | -173.6 | 146.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 307 | G | 39.6 | Very low | 44.3 | Very low | 71 Ų | 71 | 132.2 Ų | 132.2 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | cis | 162.1 | 140.8 | -3.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 308 | S | 41.5 | Very low | 43.8 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | 63.8 | 123.1 | 178.9 | -67 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 309 | Q | 45.3 | Very low | 44 | Very low | 168 Ų | 168 | 128.4 Ų | 128.4 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | 87.3 | 126.9 | 52.9 | -75.1 | -169.8 | 95.9 | 0 | 0 | 114.6 | |||||
| 310 | T | 40.4 | Very low | 43.6 | Very low | 143 Ų | 143 | 128.1 Ų | 128.1 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | trans | 64.3 | 145.4 | 171.7 | 69.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 311 | G | 36.2 | Very low | 43.1 | Very low | 68 Ų | 68 | 128 Ų | 128 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | cis | 121.7 | 76.2 | -7.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 312 | V | 44.6 | Very low | 42.9 | Very low | 156 Ų | 156 | 128.8 Ų | 128.8 | 95% | 0.945 | 82% | 0.819 | S | S | * | * | trans | -159.3 | 165.4 | 161.3 | -95.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 313 | R | 34.9 | Very low | 42.5 | Very low | 244 Ų | 244 | 126.2 Ų | 126.2 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | trans | -105.1 | 167.6 | -172.3 | -66.2 | 166.2 | 152.7 | 176.2 | -8.3 | 113.3 | ||||
| 314 | A | 39.6 | Very low | 42.3 | Very low | 96 Ų | 96 | 128.9 Ų | 128.9 | 79% | 0.793 | 82% | 0.823 | S | S | * | * | trans | 99.1 | 149.7 | 135.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 315 | A | 41.3 | Very low | 42.1 | Very low | 97 Ų | 97 | 126.6 Ų | 126.6 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | 71.8 | 148.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 316 | S | 45.4 | Very low | 42.4 | Very low | 87 Ų | 87 | 123.3 Ų | 123.3 | 61% | 0.608 | 81% | 0.81 | S | S | * | * | cis | -177.9 | 159.2 | -22.6 | 52 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 317 | N | 42.9 | Very low | 42.1 | Very low | 162 Ų | 162 | 126.6 Ų | 126.6 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | 73 | 146.6 | 165.6 | -42.6 | -34.7 | 0 | 0 | 0 | 115.4 | ||||
| 318 | G | 42 | Very low | 42.2 | Very low | 72 Ų | 72 | 126.5 Ų | 126.5 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | cis | 143.7 | 171 | 7.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 319 | P | 52.6 | Low | 42 | Very low | 134 Ų | 134 | 132.3 Ų | 132.3 | 87% | 0.87 | 82% | 0.817 | S | S | * | * | cis | -131.8 | -168.6 | -8.5 | 42.6 | -24.5 | 0 | 0 | 0 | 114.2 | ||||
| 320 | S | 40.1 | Very low | 41.9 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -90.1 | 167.5 | -175 | -45.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 321 | S | 47 | Very low | 42.1 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -137.1 | 141.6 | 159.2 | -179.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 322 | V | 42.8 | Very low | 42.2 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | trans | -126.3 | 149.2 | -173.7 | -71.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 323 | G | 45.2 | Very low | 42 | Very low | 80 Ų | 80 | 132.3 Ų | 132.3 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -147.9 | 125.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 324 | E | 38.1 | Very low | 42.4 | Very low | 182 Ų | 182 | 130 Ų | 130 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | -93.7 | 147.8 | -165.2 | -92.8 | -176.7 | 53.3 | 0 | 0 | 115.6 | ||||
| 325 | V | 42.6 | Very low | 42.6 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 70% | 0.697 | 81% | 0.806 | S | S | * | * | 63.7 | 121.6 | 128.9 | 177.9 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 326 | S | 45.7 | Very low | 42.8 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | -171.7 | 143.4 | 117.2 | -83.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 327 | N | 36.1 | Very low | 42.6 | Very low | 175 Ų | 175 | 132.5 Ų | 132.5 | 94% | 0.936 | 82% | 0.816 | S | S | * | * | trans | -100.6 | 155.5 | -176 | -102.2 | -29 | 0 | 0 | 0 | 112.9 | ||||
| 328 | G | 41.1 | Very low | 42.6 | Very low | 69 Ų | 69 | 131.8 Ų | 131.8 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | trans | -147.7 | 137.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 329 | R | 39 | Very low | 42.7 | Very low | 230 Ų | 230 | 133 Ų | 133 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | trans | -148.1 | 126.9 | -163.3 | -177.1 | 98.2 | -51.4 | -166.1 | 2.7 | 114.5 | ||||
| 330 | A | 42 | Very low | 42.1 | Very low | 86 Ų | 86 | 130 Ų | 130 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | -166 | 130.2 | 151.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 331 | Q | 45.7 | Very low | 42.1 | Very low | 185 Ų | 185 | 131.3 Ų | 131.3 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | 71.9 | 145.3 | 56.8 | -69 | -166.2 | -2 | 0 | 0 | 115.1 | |||||
| 332 | K | 37.4 | Very low | 41.7 | Very low | 194 Ų | 194 | 128.4 Ų | 128.4 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | cis | -179.7 | 131 | -44.5 | 173.9 | 179.6 | -175.5 | -177.4 | 0 | 109.3 | ||||
| 333 | G | 39.8 | Very low | 42.2 | Very low | 71 Ų | 71 | 128.1 Ų | 128.1 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | 156.4 | 131.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 334 | K | 45 | Very low | 42 | Very low | 194 Ų | 194 | 128.7 Ų | 128.7 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | cis | 89 | 101.2 | 29.7 | -83.5 | -163 | 166.8 | -167.4 | 0 | 116.9 | ||||
| 335 | S | 43.4 | Very low | 42.3 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | 164.8 | 114.9 | 129.9 | 54.4 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 336 | V | 44.6 | Very low | 42.4 | Very low | 153 Ų | 153 | 127.7 Ų | 127.7 | 93% | 0.927 | 81% | 0.809 | S | S | * | * | 82 | 128.7 | 82.3 | 170.1 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 337 | G | 41.7 | Very low | 42.4 | Very low | 66 Ų | 66 | 131 Ų | 131 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | trans | 106.6 | 156.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 338 | T | 43 | Very low | 42.5 | Very low | 148 Ų | 148 | 130.8 Ų | 130.8 | 91% | 0.908 | 80% | 0.804 | S | S | * | * | cis | -154.5 | 170.7 | -17.1 | -60 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 339 | A | 43.5 | Very low | 42.7 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | -92.8 | 164.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 340 | G | 41.1 | Very low | 43 | Very low | 72 Ų | 72 | 132 Ų | 132 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | 131.6 | 132.5 | 127.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 341 | C | 40.1 | Very low | 42.8 | Very low | 145 Ų | 145 | 131.6 Ų | 131.6 | 98% | 0.98 | 81% | 0.805 | S | S | * | * | trans | 67.5 | 150.8 | 161.9 | -152.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 342 | G | 38 | Very low | 42.6 | Very low | 62 Ų | 62 | 129 Ų | 129 | 64% | 0.639 | 81% | 0.807 | S | S | * | * | cis | 169.6 | 154.5 | -5.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 343 | P | 52.3 | Low | 43 | Very low | 133 Ų | 133 | 124 Ų | 124 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -107.6 | 152.5 | -161.7 | 38.5 | -33.5 | 0 | 0 | 0 | 116.3 | ||||
| 344 | A | 42.4 | Very low | 43 | Very low | 93 Ų | 93 | 126.4 Ų | 126.4 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -179.4 | 137.3 | 142.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 345 | S | 43.4 | Very low | 42.9 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | 81.5 | 140.2 | 140.8 | -64.3 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 346 | H | 45.8 | Very low | 42.7 | Very low | 166 Ų | 166 | 123 Ų | 123 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | 71.3 | 93.3 | 157.1 | -75.4 | 103.1 | 0 | 0 | 0 | 121.9 | ||||
| 347 | H | 44.6 | Very low | 42.4 | Very low | 188 Ų | 188 | 120 Ų | 120 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | -173.6 | 159 | 101.9 | -103.5 | 76.2 | 0 | 0 | 0 | 112.8 | |||||
| 348 | Q | 39.4 | Very low | 42.3 | Very low | 171 Ų | 171 | 122.3 Ų | 122.3 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | trans | -131.7 | 130.4 | -170.7 | 177.6 | 169.5 | 1.2 | 0 | 0 | 110.5 | ||||
| 349 | H | 44.7 | Very low | 42.1 | Very low | 153 Ų | 153 | 119 Ų | 119 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | trans | 174.5 | 149 | 139.9 | -108.7 | -118.5 | 0 | 0 | 0 | 114.1 | ||||
| 350 | H | 46.1 | Very low | 41.9 | Very low | 172 Ų | 172 | 121.8 Ų | 121.8 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | 60.9 | 106.5 | 158.3 | -63.3 | -55.9 | 0 | 0 | 0 | 122.9 | ||||
| 351 | G | 37.9 | Very low | 42.6 | Very low | 78 Ų | 78 | 126 Ų | 126 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | 92.9 | 62.4 | 108.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | A353 | G351-A353 PolarHBondContact O-N 3.4Å; G351-A353 VanDerWaalsContact O-N 3.15Å | |||
| 352 | S | 40.3 | Very low | 43.8 | Very low | 131 Ų | 131 | 123.8 Ų | 123.8 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | trans | -75.2 | 97.7 | 164.3 | -68 | 0 | 0 | 0 | 0 | 112.3 | S354 | S352-S354 PolarHBondContact O-N 3.05Š| ||
| 353 | A | 45.3 | Very low | 46.1 | Very low | 89 Ų | 89 | 128.4 Ų | 128.4 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | trans | -69.3 | 120.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | G351 N355 | G351-A353 PolarHBondContact O-N 3.4Å; G351-A353 VanDerWaalsContact O-N 3.15Å; A353-N355 VanDerWaalsContact C-N 3.29Å; A353-N355 PolarHBondContact O-N 3.33Å | ||
| 354 | S | 40.7 | Very low | 47.9 | Very low | 120 Ų | 120 | 122.6 Ų | 122.6 | 84% | 0.839 | 74% | 0.737 | S | S | * | * | trans | -74.2 | 77.2 | 176.1 | 57.5 | 0 | 0 | 0 | 0 | 111.2 | S352 G356 | S352-S354 PolarHBondContact O-N 3.05Å; S354-G356 PolarHBondContact O-N 2.88Å | ||
| 355 | N | 42.6 | Very low | 50.4 | Low | 159 Ų | 159 | 122.5 Ų | 122.5 | 85% | 0.85 | 72% | 0.724 | S | S | * | * | trans | -71.4 | 99.3 | 167.6 | -102.5 | -3.9 | 0 | 0 | 0 | 108.8 | A353 S357 | A353-N355 VanDerWaalsContact C-N 3.29Å; A353-N355 PolarHBondContact O-N 3.33Å; N355-S357 PolarHBondContact O-N 3.06Å | ||
| 356 | G | 39.4 | Very low | 52.9 | Low | 79 Ų | 79 | 117.5 Ų | 117.5 | 81% | 0.814 | 69% | 0.689 | S | S | * | * | trans | -55.8 | 107.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112 | S354 | S354-G356 PolarHBondContact O-N 2.88Š| ||
| 357 | S | 37.4 | Very low | 55.3 | Low | 88 Ų | 88 | 116 Ų | 116 | 62% | 0.615 | 68% | 0.68 | S | S | * | * | trans | -62.2 | 159.4 | 170.4 | 53.4 | 0 | 0 | 0 | 0 | 110.7 | N355 S359 | N355-S357 PolarHBondContact O-N 3.06Å; S357-S359 WeakPolarHBondContact CB-OG 3.28Å; S357-S359 PolarHBondContact O-N 2.69Å; S357-S359 VanDerWaalsContact OG-CB 3.29Å; S357-S359 WeakPolarHBondContact OG-CB 3.46Å; S357-S359 PolarHBondContact OG-OG 3.31Å | ||
| 358 | A | 39.6 | Very low | 57.7 | Low | 116 Ų | 116 | 110.6 Ų | 110.6 | 96% | 0.959 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -72.5 | 53.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 359 | S | 38.6 | Very low | 60.5 | Low | 78 Ų | 78 | 102.8 Ų | 102.8 | 55% | 0.545 | 62% | 0.619 | S | S | . | * | trans | -136.3 | 36.4 | -144.6 | -56.3 | 0 | 0 | 0 | 0 | 114.8 | S357 | S357-S359 WeakPolarHBondContact CB-OG 3.28Å; S357-S359 PolarHBondContact O-N 2.69Å; S357-S359 VanDerWaalsContact OG-CB 3.29Å; S357-S359 WeakPolarHBondContact OG-CB 3.46Å; S357-S359 PolarHBondContact OG-OG 3.31Å | ||
| 360 | D | 41.3 | Very low | 63 | Low | 156 Ų | 156 | 95.6 Ų | 95.6 | 83% | 0.834 | 59% | 0.586 | S | S | * | * | trans | -137.5 | 138.6 | 161.4 | -105.2 | -48.1 | 0 | 0 | 0 | 112 | E362 | D360-E362 PolarHBondContact O-N 2.95Š| ||
| 361 | L | 54.1 | Low | 65.5 | Low | 159 Ų | 159 | 93 Ų | 93 | 83% | 0.832 | 57% | 0.574 | S | S | * | * | trans | -76.8 | 52.2 | 177.6 | -85 | 128.5 | 0 | 0 | 0 | 111.1 | E363 | L361-E363 PolarHBondContact O-N 3.02Š| ||
| 362 | E | 66.6 | Low | 68.3 | Low | 100 Ų | 100 | 96 Ų | 96 | 47% | 0.467 | 56% | 0.561 | S | S | . | * | trans | -30.1 | 104.2 | -164.7 | -165.2 | -175.8 | -156.8 | 0 | 0 | 113.2 | D360 I364 W409 L423 | D360-E362 PolarHBondContact O-N 2.95Å; E362-I364 HydrophobicContact CG-CG1 4.27Å; E362-I364 PolarHBondContact O-N 2.85Å; E362-W409 WeakPolarHBondContact O-CZ2 3.49Å; E362-W409 PolarHBondContact O-NE1 2.98Å; E362-L423 WeakPolarHBondContact OE1-CD2 3.26Å | ||
| 363 | E | 85.1 | Confident | 71.1 | Confident | 159 Ų | 159 | 89.7 Ų | 89.7 | 74% | 0.743 | 52% | 0.517 | S | S | * | . | trans | -80 | 88.7 | -178.7 | 178.6 | 153.1 | -156.8 | 0 | 0 | 110.1 | L361 N365 | L361-E363 PolarHBondContact O-N 3.02Å; E363-N365 PolarHBondContact O-N 2.74Å | ||
| 364 | I | 90.5 | Very high | 73.6 | Confident | 10 Ų | 10 | 87.3 Ų | 87.3 | 5% | 0.051 | 50% | 0.495 | C | S | . | . | trans | -74 | 118.5 | -178.4 | -58.5 | -177.9 | 0 | 0 | 0 | 110.6 | E362 T366 L369 W409 R420 L423 | E362-I364 HydrophobicContact CG-CG1 4.27Å; E362-I364 PolarHBondContact O-N 2.85Å; I364-T366 PolarHBondContact O-N 3.18Å; I364-L369 HydrophobicContact CG2-CB 4.2Å; I364-L369 HydrophobicContact CG2-CD2 3.46Å; I364-L369 VanDerWaalsContact CG2-CD2 3.46Å; I364-L369 HydrophobicContact CG2-CG 4.48Å; I364-W409 HydrophobicContact CB-CD2 4.24Å; I364-W409 HydrophobicContact CB-CE3 3.94Å; I364-W409 HydrophobicContact CB-CH2 4.17Å; I364-W409 HydrophobicContact CB-CZ2 4.44Å; I364-W409 HydrophobicContact CB-CZ3 3.91Å; I364-W409 HydrophobicContact CD1-CH2 3.67Å; I364-W409 HydrophobicContact CD1-CZ2 4.36Å; I364-W409 HydrophobicContact CD1-CZ3 3.93Å; I364-W409 HydrophobicContact CG1-CH2 3.93Å; I364-W409 HydrophobicContact CG1-CZ2 4.19Å; I364-W409 HydrophobicContact CG1-CZ3 4.16Å; I364-W409 WeakPolarHBondContact O-CB 3.3Å; I364-R420 HydrophobicContact CD1-CG 3.98Å; I364-L423 HydrophobicContact CD1-CB 4.3Å; I364-L423 HydrophobicContact CD1-CD2 3.57Å; I364-L423 HydrophobicContact CG1-CD2 3.86Å | ||
| 365 | N | 94.7 | Very high | 76.3 | Confident | 91 Ų | 91 | 84.2 Ų | 84.2 | 49% | 0.487 | 48% | 0.477 | S | S | . | . | trans | -65.3 | 93.5 | 165.3 | -175.9 | -13.1 | 0 | 0 | 0 | 110.3 | E363 K367 E368 L369 | E363-N365 PolarHBondContact O-N 2.74Å; N365-K367 PolarHBondContact O-N 3.17Å; N365-K367 PolarHBondContact OD1-N 3.46Å; N365-E368 HydrophobicContact CB-CB 4.16Å; N365-E368 PolarHBondContact ND2-OE2 2.76Å; N365-E368 PolarHBondContact O-N 3.01Å; N365-E368 PolarHBondContact OD1-N 3Å; N365-L369 WeakPolarHBondContact O-CB 3.43Å; N365-L369 PolarHBondContact O-N 2.73Å | ||
| 366 | T | 95.9 | Very high | 78.9 | Confident | 5 Ų | 5 | 78 Ų | 78 | 3% | 0.031 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -64.8 | -25.8 | -174.1 | 56.5 | 0 | 0 | 0 | 0 | 113.8 | I364 A370 P406 K407 W409 L412 F419 | I364-T366 PolarHBondContact O-N 3.18Å; T366-A370 WeakPolarHBondContact O-CB 3.31Å; T366-A370 PolarHBondContact O-N 2.75Å; T366-A370 VanDerWaalsContact O-N 3.13Å; T366-P406 WeakPolarHBondContact O-CB 3.29Å; T366-K407 WeakPolarHBondContact CB-O 3.38Å; T366-K407 PolarHBondContact OG1-O 2.69Å; T366-W409 HydrophobicContact CG2-CB 4.26Å; T366-W409 HydrophobicContact CG2-CE3 3.86Å; T366-L412 HydrophobicContact CG2-CD1 3.88Å; T366-F419 HydrophobicContact CG2-CD1 4.07Å; T366-F419 HydrophobicContact CG2-CD2 4.19Å; T366-F419 HydrophobicContact CG2-CE1 4.16Å; T366-F419 HydrophobicContact CG2-CE2 4.28Å; T366-F419 HydrophobicContact CG2-CG 4.08Å; T366-F419 HydrophobicContact CG2-CZ 4.26Å |
| 367 | K | 95.5 | Very high | 81.6 | Confident | 135 Ų | 135 | 74.8 Ų | 74.8 | 59% | 0.587 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -72.3 | -50.4 | 177.2 | -173.8 | -179.6 | 178.2 | -175.8 | 0 | 110.7 | N365 A370 Q371 P406 | N365-K367 PolarHBondContact O-N 3.17Å; N365-K367 PolarHBondContact OD1-N 3.46Å; K367-A370 PolarHBondContact O-N 3.25Å; K367-Q371 WeakPolarHBondContact O-CG 3.37Å; K367-Q371 PolarHBondContact O-N 3.28Å; K367-Q371 VanDerWaalsContact O-N 3.07Å; K367-P406 HydrophobicContact CB-CG 4.3Å |
| 368 | E | 96.6 | Very high | 84.4 | Confident | 73 Ų | 73 | 78.7 Ų | 78.7 | 34% | 0.341 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.1 | -44.5 | 179 | -168.4 | -169.1 | 161.6 | 0 | 0 | 111.6 | N365 A370 Q371 R372 | N365-E368 HydrophobicContact CB-CB 4.16Å; N365-E368 PolarHBondContact ND2-OE2 2.76Å; N365-E368 PolarHBondContact O-N 3.01Å; N365-E368 PolarHBondContact OD1-N 3Å; E368-A370 VanDerWaalsContact C-N 3.31Å; E368-A370 PolarHBondContact O-N 3.14Å; E368-Q371 WeakPolarHBondContact O-CB 3.32Å; E368-Q371 PolarHBondContact O-N 3.2Å; E368-R372 WeakPolarHBondContact O-CG 3.31Å; E368-R372 PolarHBondContact O-N 3.48Å; E368-R372 IonicContact OE1-CZ 2.69Å; E368-R372 IonicContact OE1-NE 2.78Å; E368-R372 PolarHBondContact OE1-NE 3.15Å; E368-R372 IonicContact OE1-NH2 2.73Å; E368-R372 PolarHBondContact OE1-NH2 3.43Å |
| 369 | L | 97.7 | Very high | 87.1 | Confident | 8 Ų | 8 | 82 Ų | 82 | 4% | 0.042 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58.5 | -42.6 | 175.4 | 176.7 | 59.1 | 0 | 0 | 0 | 111.7 | I364 N365 Q371 R372 I373 F419 M422 L423 L426 | I364-L369 HydrophobicContact CG2-CB 4.2Å; I364-L369 HydrophobicContact CG2-CD2 3.46Å; I364-L369 VanDerWaalsContact CG2-CD2 3.46Å; I364-L369 HydrophobicContact CG2-CG 4.48Å; N365-L369 WeakPolarHBondContact O-CB 3.43Å; N365-L369 PolarHBondContact O-N 2.73Å; L369-Q371 VanDerWaalsContact C-N 3.31Å; L369-Q371 PolarHBondContact O-N 3.19Å; L369-R372 PolarHBondContact O-N 3.24Å; L369-I373 HydrophobicContact CD1-CD1 4.48Å; L369-I373 HydrophobicContact CD1-CG1 3.96Å; L369-I373 HydrophobicContact CG-CG1 4.42Å; L369-I373 WeakPolarHBondContact O-CB 3.37Å; L369-I373 VanDerWaalsContact O-CG1 3.24Å; L369-I373 WeakPolarHBondContact O-CG1 3.26Å; L369-I373 PolarHBondContact O-N 3.15Å; L369-F419 HydrophobicContact CD2-CB 4.15Å; L369-F419 HydrophobicContact CD2-CD1 4.05Å; L369-F419 WeakPolarHBondContact CD2-O 3.27Å; L369-M422 HydrophobicContact CD1-CB 4.44Å; L369-M422 HydrophobicContact CD2-CB 4.22Å; L369-M422 HydrophobicContact CG-CB 4.42Å; L369-L423 HydrophobicContact CD1-CB 4.24Å; L369-L423 HydrophobicContact CD1-CD1 4.17Å; L369-L423 HydrophobicContact CD2-CB 3.91Å; L369-L426 HydrophobicContact CD1-CD2 4.12Å |
| 370 | A | 97.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 81.1 Ų | 81.1 | 1% | 0.008 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T366 K367 E368 S374 L403 P406 | T366-A370 WeakPolarHBondContact O-CB 3.31Å; T366-A370 PolarHBondContact O-N 2.75Å; T366-A370 VanDerWaalsContact O-N 3.13Å; K367-A370 PolarHBondContact O-N 3.25Å; E368-A370 VanDerWaalsContact C-N 3.31Å; E368-A370 PolarHBondContact O-N 3.14Å; A370-S374 VanDerWaalsContact O-CB 3.29Å; A370-S374 WeakPolarHBondContact O-CB 3.4Å; A370-S374 PolarHBondContact O-N 3.36Å; A370-S374 PolarHBondContact O-OG 3.36Å; A370-L403 HydrophobicContact CB-CD2 3.9Å; A370-P406 HydrophobicContact CB-CB 4.15Å; A370-P406 HydrophobicContact CB-CG 3.91Å |
| 371 | Q | 97.7 | Very high | 92.4 | Very high | 119 Ų | 119 | 78.6 Ų | 78.6 | 56% | 0.556 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -67.7 | -47.6 | 174.6 | -70.9 | 172.2 | -59 | 0 | 0 | 111.6 | K367 E368 L369 I373 S374 A375 | K367-Q371 WeakPolarHBondContact O-CG 3.37Å; K367-Q371 PolarHBondContact O-N 3.28Å; K367-Q371 VanDerWaalsContact O-N 3.07Å; E368-Q371 WeakPolarHBondContact O-CB 3.32Å; E368-Q371 PolarHBondContact O-N 3.2Å; L369-Q371 VanDerWaalsContact C-N 3.31Å; L369-Q371 PolarHBondContact O-N 3.19Å; Q371-I373 PolarHBondContact O-N 3.06Å; Q371-S374 WeakPolarHBondContact O-CB 3.34Å; Q371-S374 PolarHBondContact O-N 2.9Å; Q371-S374 VanDerWaalsContact O-N 3.12Å; Q371-A375 PolarHBondContact O-N 2.77Å |
| 372 | R | 97.5 | Very high | 94.3 | Very high | 139 Ų | 139 | 72 Ų | 72 | 53% | 0.525 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.6 | -47.9 | 176.5 | -68.5 | -179.1 | -178.1 | -151.2 | 3.4 | 111.4 | E368 L369 S374 A375 E376 L426 | E368-R372 WeakPolarHBondContact O-CG 3.31Å; E368-R372 PolarHBondContact O-N 3.48Å; E368-R372 IonicContact OE1-CZ 2.69Å; E368-R372 IonicContact OE1-NE 2.78Å; E368-R372 PolarHBondContact OE1-NE 3.15Å; E368-R372 IonicContact OE1-NH2 2.73Å; E368-R372 PolarHBondContact OE1-NH2 3.43Å; L369-R372 PolarHBondContact O-N 3.24Å; R372-S374 VanDerWaalsContact C-N 3.34Å; R372-S374 PolarHBondContact O-N 3.13Å; R372-A375 PolarHBondContact O-N 3.27Å; R372-E376 WeakPolarHBondContact O-CB 3.38Å; R372-E376 PolarHBondContact O-N 3.07Å; R372-L426 HydrophobicContact CB-CD2 3.75Å |
| 373 | I | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 174.4 | -66.8 | -71.9 | 0 | 0 | 0 | 111.5 | L369 Q371 A375 E376 L377 F387 L403 M422 W425 L426 | L369-I373 HydrophobicContact CD1-CD1 4.48Å; L369-I373 HydrophobicContact CD1-CG1 3.96Å; L369-I373 HydrophobicContact CG-CG1 4.42Å; L369-I373 WeakPolarHBondContact O-CB 3.37Å; L369-I373 VanDerWaalsContact O-CG1 3.24Å; L369-I373 WeakPolarHBondContact O-CG1 3.26Å; L369-I373 PolarHBondContact O-N 3.15Å; Q371-I373 PolarHBondContact O-N 3.06Å; I373-A375 VanDerWaalsContact C-N 3.32Å; I373-A375 PolarHBondContact O-N 2.95Å; I373-E376 PolarHBondContact O-N 3.24Å; I373-L377 HydrophobicContact CG2-CD1 3.93Å; I373-L377 HydrophobicContact CG2-CG 4.31Å; I373-L377 WeakPolarHBondContact O-CB 3.26Å; I373-L377 VanDerWaalsContact O-CG 3.26Å; I373-L377 WeakPolarHBondContact O-CG 3.28Å; I373-L377 PolarHBondContact O-N 3.06Å; I373-F387 HydrophobicContact CD1-CZ 4.17Å; I373-F387 HydrophobicContact CG2-CD1 4.48Å; I373-F387 HydrophobicContact CG2-CE1 3.86Å; I373-F387 HydrophobicContact CG2-CZ 4.37Å; I373-L403 HydrophobicContact CB-CD2 4.18Å; I373-L403 HydrophobicContact CG2-CD1 4.1Å; I373-L403 HydrophobicContact CG2-CD2 3.9Å; I373-M422 HydrophobicContact CD1-CB 3.9Å; I373-M422 HydrophobicContact CD1-CG 4.45Å; I373-M422 HydrophobicContact CG1-CB 3.98Å; I373-M422 HydrophobicContact CG1-CG 4.38Å; I373-W425 HydrophobicContact CD1-CE3 4.05Å; I373-W425 HydrophobicContact CD1-CZ3 4.31Å; I373-L426 HydrophobicContact CD1-CB 4.23Å; I373-L426 HydrophobicContact CD1-CD1 4.42Å |
| 374 | S | 97.4 | Very high | 96.2 | Very high | 38 Ų | 38 | 65.8 Ų | 65.8 | 27% | 0.266 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.8 | -34.4 | 178.4 | -60.9 | 0 | 0 | 0 | 0 | 112.9 | A370 Q371 R372 K378 | A370-S374 VanDerWaalsContact O-CB 3.29Å; A370-S374 WeakPolarHBondContact O-CB 3.4Å; A370-S374 PolarHBondContact O-N 3.36Å; A370-S374 PolarHBondContact O-OG 3.36Å; Q371-S374 WeakPolarHBondContact O-CB 3.34Å; Q371-S374 PolarHBondContact O-N 2.9Å; Q371-S374 VanDerWaalsContact O-N 3.12Å; R372-S374 VanDerWaalsContact C-N 3.34Å; R372-S374 PolarHBondContact O-N 3.13Å; S374-K378 VanDerWaalsContact O-CG 3.3Å; S374-K378 WeakPolarHBondContact O-CG 3.35Å; S374-K378 PolarHBondContact O-N 3.13Å |
| 375 | A | 97.6 | Very high | 96.4 | Very high | 56 Ų | 56 | 66.8 Ų | 66.8 | 46% | 0.463 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.3 | -45.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q371 R372 I373 L377 K378 R379 | Q371-A375 PolarHBondContact O-N 2.77Å; R372-A375 PolarHBondContact O-N 3.27Å; I373-A375 VanDerWaalsContact C-N 3.32Å; I373-A375 PolarHBondContact O-N 2.95Å; A375-L377 PolarHBondContact O-N 2.95Å; A375-K378 WeakPolarHBondContact O-CB 3.43Å; A375-K378 PolarHBondContact O-N 3.31Å; A375-K378 VanDerWaalsContact O-N 3.14Å; A375-R379 WeakPolarHBondContact O-CB 3.38Å; A375-R379 PolarHBondContact O-N 3.34Å |
| 376 | E | 97 | Very high | 96.4 | Very high | 27 Ų | 27 | 65.2 Ų | 65.2 | 13% | 0.126 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.5 | -40.7 | -177 | -152.7 | 72.1 | 162 | 0 | 0 | 112.5 | R372 I373 K378 R379 Y380 W425 L426 R433 | R372-E376 WeakPolarHBondContact O-CB 3.38Å; R372-E376 PolarHBondContact O-N 3.07Å; I373-E376 PolarHBondContact O-N 3.24Å; E376-K378 VanDerWaalsContact C-N 3.28Å; E376-K378 PolarHBondContact O-N 3.11Å; E376-R379 PolarHBondContact O-N 3.17Å; E376-Y380 HydrophobicContact CG-CD2 4.12Å; E376-Y380 HydrophobicContact CG-CE2 3.93Å; E376-Y380 WeakPolarHBondContact O-CD2 3.4Å; E376-Y380 PolarHBondContact O-N 2.91Å; E376-Y380 WeakPolarHBondContact OE1-CE2 3.48Å; E376-W425 HydrophobicContact CB-CZ3 4.42Å; E376-W425 HydrophobicContact CG-CH2 4.3Å; E376-W425 HydrophobicContact CG-CZ3 4.17Å; E376-L426 HydrophobicContact CB-CD1 4.2Å; E376-L426 HydrophobicContact CG-CD1 4.07Å; E376-R433 IonicContact OE1-CZ 2.7Å; E376-R433 IonicContact OE1-NH1 2.65Å; E376-R433 PolarHBondContact OE1-NH1 3.24Å; E376-R433 IonicContact OE1-NH2 3.17Å; E376-R433 PolarHBondContact OE1-NH2 3.46Å |
| 377 | L | 96.7 | Very high | 96.4 | Very high | 12 Ų | 12 | 65 Ų | 65 | 6% | 0.063 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63 | -34.6 | 173.6 | -67.2 | 176.4 | 0 | 0 | 0 | 112.3 | I373 A375 S381 I382 F387 L403 W425 | I373-L377 HydrophobicContact CG2-CD1 3.93Å; I373-L377 HydrophobicContact CG2-CG 4.31Å; I373-L377 WeakPolarHBondContact O-CB 3.26Å; I373-L377 VanDerWaalsContact O-CG 3.26Å; I373-L377 WeakPolarHBondContact O-CG 3.28Å; I373-L377 PolarHBondContact O-N 3.06Å; A375-L377 PolarHBondContact O-N 2.95Å; L377-S381 CarbonylContact O-C 3.54Å; L377-S381 PolarHBondContact O-N 3.49Å; L377-I382 HydrophobicContact CD2-CB 3.71Å; L377-I382 HydrophobicContact CD2-CD1 4.11Å; L377-I382 HydrophobicContact CD2-CG2 3.63Å; L377-I382 PolarHBondContact O-N 3.12Å; L377-F387 HydrophobicContact CD1-CB 4.3Å; L377-F387 HydrophobicContact CD1-CD1 3.95Å; L377-F387 HydrophobicContact CD1-CG 4.27Å; L377-F387 HydrophobicContact CD2-CB 3.61Å; L377-F387 HydrophobicContact CD2-CD1 4.2Å; L377-F387 HydrophobicContact CD2-CD2 4.09Å; L377-F387 HydrophobicContact CD2-CG 3.71Å; L377-L403 HydrophobicContact CD1-CD1 4.37Å; L377-W425 HydrophobicContact CD2-CH2 4.48Å |
| 378 | K | 96.5 | Very high | 96.4 | Very high | 171 Ų | 171 | 58.6 Ų | 58.6 | 74% | 0.743 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -71.3 | -43.5 | 173.4 | -73.7 | 174.6 | 178.1 | -173.5 | 0 | 111.8 | S374 A375 E376 Y380 S381 | S374-K378 VanDerWaalsContact O-CG 3.3Å; S374-K378 WeakPolarHBondContact O-CG 3.35Å; S374-K378 PolarHBondContact O-N 3.13Å; A375-K378 WeakPolarHBondContact O-CB 3.43Å; A375-K378 PolarHBondContact O-N 3.31Å; A375-K378 VanDerWaalsContact O-N 3.14Å; E376-K378 VanDerWaalsContact C-N 3.28Å; E376-K378 PolarHBondContact O-N 3.11Å; K378-Y380 VanDerWaalsContact C-N 3.33Å; K378-Y380 PolarHBondContact O-N 3.3Å; K378-S381 PolarHBondContact O-N 3.18Å; K378-S381 VanDerWaalsContact O-N 3.09Å |
| 379 | R | 96.7 | Very high | 96.3 | Very high | 184 Ų | 184 | 58.7 Ų | 58.7 | 69% | 0.694 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -56.8 | -43.7 | -176.8 | -177.3 | -179.1 | -177.5 | 170.3 | 2.1 | 112.7 | A375 E376 | A375-R379 WeakPolarHBondContact O-CB 3.38Å; A375-R379 PolarHBondContact O-N 3.34Å; E376-R379 PolarHBondContact O-N 3.17Å |
| 380 | Y | 95.1 | Very high | 96 | Very high | 61 Ų | 61 | 61.6 Ų | 61.6 | 24% | 0.239 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 13.4 | 178.1 | -59.6 | -78.4 | 0 | 0 | 0 | 113.3 | E376 K378 I382 E430 R433 M434 | E376-Y380 HydrophobicContact CG-CD2 4.12Å; E376-Y380 HydrophobicContact CG-CE2 3.93Å; E376-Y380 WeakPolarHBondContact O-CD2 3.4Å; E376-Y380 PolarHBondContact O-N 2.91Å; E376-Y380 WeakPolarHBondContact OE1-CE2 3.48Å; K378-Y380 VanDerWaalsContact C-N 3.33Å; K378-Y380 PolarHBondContact O-N 3.3Å; Y380-I382 HydrophobicContact CD2-CD1 4.38Å; Y380-I382 HydrophobicContact CG-CD1 4.44Å; Y380-I382 PolarHBondContact O-N 3.33Å; Y380-I382 VanDerWaalsContact O-N 3.1Å; Y380-E430 HydrophobicContact CE1-CG 4.31Å; Y380-E430 WeakPolarHBondContact CE1-OE1 3.37Å; Y380-E430 VanDerWaalsContact OH-CD 3.25Å; Y380-E430 PolarHBondContact OH-OE2 2.88Å; Y380-R433 PolarHBondContact OH-NH2 3.24Å; Y380-M434 HydrophobicContact CD1-CE 4.2Å |
| 381 | S | 95.1 | Very high | 95.8 | Very high | 103 Ų | 103 | 62.8 Ų | 62.8 | 72% | 0.72 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 32.5 | -178 | -62.7 | 0 | 0 | 0 | 0 | 114.6 | L377 K378 P383 | L377-S381 CarbonylContact O-C 3.54Å; L377-S381 PolarHBondContact O-N 3.49Å; K378-S381 PolarHBondContact O-N 3.18Å; K378-S381 VanDerWaalsContact O-N 3.09Å; S381-P383 VanDerWaalsContact O-CD 3.28Å; S381-P383 WeakPolarHBondContact O-CD 3.33Å |
| 382 | I | 94.5 | Very high | 95.6 | Very high | 20 Ų | 20 | 57.2 Ų | 57.2 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | trans | -77.8 | 116 | -177.8 | -59.7 | 157.6 | 0 | 0 | 0 | 109 | L377 Y380 Q384 F387 W425 L437 | L377-I382 HydrophobicContact CD2-CB 3.71Å; L377-I382 HydrophobicContact CD2-CD1 4.11Å; L377-I382 HydrophobicContact CD2-CG2 3.63Å; L377-I382 PolarHBondContact O-N 3.12Å; Y380-I382 HydrophobicContact CD2-CD1 4.38Å; Y380-I382 HydrophobicContact CG-CD1 4.44Å; Y380-I382 PolarHBondContact O-N 3.33Å; Y380-I382 VanDerWaalsContact O-N 3.1Å; I382-Q384 PolarHBondContact O-N 3.37Å; I382-F387 HydrophobicContact CG2-CB 4.33Å; I382-W425 HydrophobicContact CD1-CH2 4.04Å; I382-W425 HydrophobicContact CD1-CZ2 4.17Å; I382-L437 HydrophobicContact CD1-CD1 3.68Å; I382-L437 HydrophobicContact CG1-CD1 3.92Å; I382-L437 HydrophobicContact CG2-CD1 4.03Å; I382-L437 HydrophobicContact CG2-CD2 4.03Å | ||
| 383 | P | 95.4 | Very high | 95.4 | Very high | 80 Ų | 80 | 53.2 Ų | 53.2 | 52% | 0.519 | 28% | 0.28 | S | S | . | . | trans | -65.2 | 133.1 | 179.5 | -18.7 | 31.7 | 0 | 0 | 0 | 110.6 | S381 A385 I386 F387 | S381-P383 VanDerWaalsContact O-CD 3.28Å; S381-P383 WeakPolarHBondContact O-CD 3.33Å; P383-A385 PolarHBondContact O-N 2.83Å; P383-I386 HydrophobicContact CB-CG1 4.14Å; P383-I386 HydrophobicContact CG-CG1 4.18Å; P383-I386 WeakPolarHBondContact O-CB 3.43Å; P383-I386 PolarHBondContact O-N 3.1Å; P383-F387 PolarHBondContact O-N 3.17Å | ||
| 384 | Q | 95.8 | Very high | 95.2 | Very high | 48 Ų | 48 | 58 Ų | 58 | 22% | 0.224 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -52.4 | -32.2 | -177.6 | -172.6 | 177.9 | 46.5 | 0 | 0 | 113.4 | I382 A388 Q396 L399 S400 | I382-Q384 PolarHBondContact O-N 3.37Å; Q384-A388 VanDerWaalsContact O-CB 3.23Å; Q384-A388 WeakPolarHBondContact O-CB 3.29Å; Q384-A388 PolarHBondContact O-N 3.45Å; Q384-Q396 HydrophobicContact CB-CG 4.32Å; Q384-Q396 HydrophobicContact CG-CG 4.29Å; Q384-L399 HydrophobicContact CG-CB 4.2Å; Q384-L399 HydrophobicContact CG-CD2 3.42Å; Q384-L399 VanDerWaalsContact CG-CD2 3.42Å; Q384-L399 HydrophobicContact CG-CG 3.79Å; Q384-S400 VanDerWaalsContact NE2-CA 3.32Å |
| 385 | A | 95.6 | Very high | 95.1 | Very high | 32 Ų | 32 | 59.2 Ų | 59.2 | 26% | 0.264 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P383 Q389 Q396 | P383-A385 PolarHBondContact O-N 2.83Å; A385-Q389 VanDerWaalsContact O-CB 3.31Å; A385-Q389 WeakPolarHBondContact O-CB 3.32Å; A385-Q389 WeakPolarHBondContact O-CG 3.24Å; A385-Q389 PolarHBondContact O-N 2.95Å; A385-Q389 VanDerWaalsContact O-N 3.08Å; A385-Q396 HydrophobicContact CB-CB 3.95Å; A385-Q396 HydrophobicContact CB-CG 4.08Å |
| 386 | I | 94.6 | Very high | 94.9 | Very high | 58 Ų | 58 | 60.7 Ų | 60.7 | 30% | 0.297 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.4 | -54.5 | 177.8 | -54.4 | -56.6 | 0 | 0 | 0 | 109.1 | P383 A388 Q389 R390 L437 | P383-I386 HydrophobicContact CB-CG1 4.14Å; P383-I386 HydrophobicContact CG-CG1 4.18Å; P383-I386 WeakPolarHBondContact O-CB 3.43Å; P383-I386 PolarHBondContact O-N 3.1Å; I386-A388 PolarHBondContact O-N 3.44Å; I386-Q389 PolarHBondContact O-N 2.9Å; I386-Q389 VanDerWaalsContact O-N 3.17Å; I386-R390 HydrophobicContact CG2-CG 3.77Å; I386-R390 VanDerWaalsContact O-CB 3.26Å; I386-R390 WeakPolarHBondContact O-CB 3.38Å; I386-R390 WeakPolarHBondContact O-CG 3.49Å; I386-R390 PolarHBondContact O-N 3.33Å; I386-L437 HydrophobicContact CG2-CD2 4.17Å |
| 387 | F | 96.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.8 | -43.7 | 179.5 | -178.2 | -108.1 | 0 | 0 | 0 | 112.8 | I373 L377 I382 P383 Q389 V391 L392 L399 M422 W425 L437 | I373-F387 HydrophobicContact CD1-CZ 4.17Å; I373-F387 HydrophobicContact CG2-CD1 4.48Å; I373-F387 HydrophobicContact CG2-CE1 3.86Å; I373-F387 HydrophobicContact CG2-CZ 4.37Å; L377-F387 HydrophobicContact CD1-CB 4.3Å; L377-F387 HydrophobicContact CD1-CD1 3.95Å; L377-F387 HydrophobicContact CD1-CG 4.27Å; L377-F387 HydrophobicContact CD2-CB 3.61Å; L377-F387 HydrophobicContact CD2-CD1 4.2Å; L377-F387 HydrophobicContact CD2-CD2 4.09Å; L377-F387 HydrophobicContact CD2-CG 3.71Å; I382-F387 HydrophobicContact CG2-CB 4.33Å; P383-F387 PolarHBondContact O-N 3.17Å; F387-Q389 VanDerWaalsContact C-N 3.35Å; F387-Q389 PolarHBondContact O-N 3.18Å; F387-V391 HydrophobicContact CD2-CB 3.78Å; F387-V391 HydrophobicContact CD2-CG1 4.35Å; F387-V391 HydrophobicContact CD2-CG2 3.52Å; F387-V391 HydrophobicContact CE2-CB 3.6Å; F387-V391 HydrophobicContact CE2-CG1 3.66Å; F387-V391 HydrophobicContact CE2-CG2 3.62Å; F387-V391 HydrophobicContact CZ-CB 4.25Å; F387-V391 HydrophobicContact CZ-CG1 4.1Å; F387-V391 PolarHBondContact O-N 3.39Å; F387-L392 HydrophobicContact CD1-CD1 4.17Å; F387-L392 HydrophobicContact CE1-CD1 3.72Å; F387-L392 HydrophobicContact CE1-CG 4.14Å; F387-L392 HydrophobicContact CZ-CD1 4.42Å; F387-L392 HydrophobicContact CZ-CD2 4.5Å; F387-L392 HydrophobicContact CZ-CG 4.42Å; F387-L399 HydrophobicContact CD1-CD2 3.6Å; F387-L399 HydrophobicContact CE1-CD2 4.34Å; F387-M422 HydrophobicContact CE1-CG 4.23Å; F387-M422 HydrophobicContact CZ-CG 4.3Å; F387-W425 HydrophobicContact CD2-CD2 4.22Å; F387-W425 HydrophobicContact CD2-CE3 4.44Å; F387-W425 HydrophobicContact CD2-CZ2 4.31Å; F387-W425 HydrophobicContact CE2-CB 4.31Å; F387-W425 AromaticContact CE2-CD2 3.42Å; F387-W425 HydrophobicContact CE2-CD2 3.42Å; F387-W425 VanDerWaalsContact CE2-CD2 3.42Å; F387-W425 AromaticContact CE2-CE2 3.8Å; F387-W425 AromaticContact CE2-CE3 3.58Å; F387-W425 HydrophobicContact CE2-CE3 3.58Å; F387-W425 AromaticContact CE2-CG 3.75Å; F387-W425 HydrophobicContact CE2-CG 3.75Å; F387-W425 HydrophobicContact CE2-CH2 4.42Å; F387-W425 HydrophobicContact CE2-CZ2 4.29Å; F387-W425 HydrophobicContact CE2-CZ3 4.09Å; F387-W425 HydrophobicContact CZ-CD2 4.25Å; F387-W425 HydrophobicContact CZ-CE3 4.07Å; F387-L437 HydrophobicContact CB-CD2 4.44Å; F387-L437 HydrophobicContact CD2-CD2 4.29Å |
| 388 | A | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.3 | -44.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q384 I386 L392 C393 R394 L399 | Q384-A388 VanDerWaalsContact O-CB 3.23Å; Q384-A388 WeakPolarHBondContact O-CB 3.29Å; Q384-A388 PolarHBondContact O-N 3.45Å; I386-A388 PolarHBondContact O-N 3.44Å; A388-L392 CarbonylContact O-C 3.56Å; A388-C393 PolarHBondContact O-N 2.83Å; A388-C393 VanDerWaalsContact O-N 3.07Å; A388-R394 CarbonylContact C-O 3.54Å; A388-R394 PolarHBondContact O-N 3.07Å; A388-L399 HydrophobicContact CB-CB 3.88Å; A388-L399 HydrophobicContact CB-CD2 3.74Å; A388-L399 HydrophobicContact CB-CG 4.46Å |
| 389 | Q | 94.1 | Very high | 94.8 | Very high | 76 Ų | 76 | 54.8 Ų | 54.8 | 36% | 0.355 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -74.2 | -49.7 | -177.9 | -72.6 | 173.2 | 27.3 | 0 | 0 | 111.5 | A385 I386 F387 C393 C442 | A385-Q389 VanDerWaalsContact O-CB 3.31Å; A385-Q389 WeakPolarHBondContact O-CB 3.32Å; A385-Q389 WeakPolarHBondContact O-CG 3.24Å; A385-Q389 PolarHBondContact O-N 2.95Å; A385-Q389 VanDerWaalsContact O-N 3.08Å; I386-Q389 PolarHBondContact O-N 2.9Å; I386-Q389 VanDerWaalsContact O-N 3.17Å; F387-Q389 VanDerWaalsContact C-N 3.35Å; F387-Q389 PolarHBondContact O-N 3.18Å; Q389-C393 PolarHBondContact O-N 3.05Å; Q389-C442 PolarHBondContact O-SG 3.09Å |
| 390 | R | 91.8 | Very high | 94.8 | Very high | 68 Ų | 68 | 47.1 Ų | 47.1 | 26% | 0.257 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -77.9 | -44.9 | -169.1 | -58.7 | -59.2 | 178.5 | 103.1 | -14.3 | 113 | I386 L437 R438 A440 | I386-R390 HydrophobicContact CG2-CG 3.77Å; I386-R390 VanDerWaalsContact O-CB 3.26Å; I386-R390 WeakPolarHBondContact O-CB 3.38Å; I386-R390 WeakPolarHBondContact O-CG 3.49Å; I386-R390 PolarHBondContact O-N 3.33Å; R390-L437 WeakPolarHBondContact CG-O 3.46Å; R390-L437 PolarHBondContact NH1-O 3Å; R390-R438 PolarHBondContact NH1-O 3.26Å; R390-A440 HydrophobicContact CB-CB 3.99Å; R390-A440 VanDerWaalsContact CD-C 3.43Å; R390-A440 WeakPolarHBondContact CD-O 3.21Å; R390-A440 WeakPolarHBondContact O-CB 3.48Å |
| 391 | V | 93.8 | Very high | 94.7 | Very high | 26 Ų | 26 | 47.9 Ų | 47.9 | 16% | 0.158 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -34.4 | -173.9 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | F387 W425 L437 | F387-V391 HydrophobicContact CD2-CB 3.78Å; F387-V391 HydrophobicContact CD2-CG1 4.35Å; F387-V391 HydrophobicContact CD2-CG2 3.52Å; F387-V391 HydrophobicContact CE2-CB 3.6Å; F387-V391 HydrophobicContact CE2-CG1 3.66Å; F387-V391 HydrophobicContact CE2-CG2 3.62Å; F387-V391 HydrophobicContact CZ-CB 4.25Å; F387-V391 HydrophobicContact CZ-CG1 4.1Å; F387-V391 PolarHBondContact O-N 3.39Å; V391-W425 HydrophobicContact CG1-CB 3.78Å; V391-W425 HydrophobicContact CG1-CG 3.9Å; V391-W425 HydrophobicContact CG2-CG 4.31Å; V391-L437 HydrophobicContact CG2-CD2 4.19Å |
| 392 | L | 93.5 | Very high | 94.7 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | -13.4 | -170.8 | -54.9 | 178.7 | 0 | 0 | 0 | 114.4 | F387 A388 R394 L399 T418 R421 M422 | F387-L392 HydrophobicContact CD1-CD1 4.17Å; F387-L392 HydrophobicContact CE1-CD1 3.72Å; F387-L392 HydrophobicContact CE1-CG 4.14Å; F387-L392 HydrophobicContact CZ-CD1 4.42Å; F387-L392 HydrophobicContact CZ-CD2 4.5Å; F387-L392 HydrophobicContact CZ-CG 4.42Å; A388-L392 CarbonylContact O-C 3.56Å; L392-R394 VanDerWaalsContact C-N 3.32Å; L392-R394 HydrophobicContact CB-CB 4.42Å; L392-R394 HydrophobicContact CB-CG 4.12Å; L392-R394 PolarHBondContact O-N 3.44Å; L392-L399 HydrophobicContact CD1-CD1 3.75Å; L392-L399 HydrophobicContact CD1-CD2 4.43Å; L392-T418 HydrophobicContact CD1-CG2 4.27Å; L392-T418 HydrophobicContact CD2-CG2 4.45Å; L392-R421 HydrophobicContact CD2-CB 3.66Å; L392-M422 HydrophobicContact CD1-CE 3.53Å; L392-M422 HydrophobicContact CD1-CG 4.1Å; L392-M422 HydrophobicContact CD2-CG 3.93Å |
| 393 | C | 92.5 | Very high | 94.8 | Very high | 55 Ų | 55 | 44.9 Ų | 44.9 | 37% | 0.372 | 25% | 0.248 | S | C | . | . | trans | 51.8 | 47.2 | -170.6 | -67.8 | 0 | 0 | 0 | 0 | 112.8 | A388 Q389 | A388-C393 PolarHBondContact O-N 2.83Å; A388-C393 VanDerWaalsContact O-N 3.07Å; Q389-C393 PolarHBondContact O-N 3.05Å | ||
| 394 | R | 93.7 | Very high | 94.7 | Very high | 101 Ų | 101 | 50 Ų | 50 | 38% | 0.381 | 26% | 0.257 | S | S | . | . | trans | -125.1 | 174.3 | 179.1 | -63.3 | -61.1 | 171.2 | -114.4 | 10.2 | 111.9 | A388 L392 T398 | A388-R394 CarbonylContact C-O 3.54Å; A388-R394 PolarHBondContact O-N 3.07Å; L392-R394 VanDerWaalsContact C-N 3.32Å; L392-R394 HydrophobicContact CB-CB 4.42Å; L392-R394 HydrophobicContact CB-CG 4.12Å; L392-R394 PolarHBondContact O-N 3.44Å; R394-T398 HydrophobicContact CB-CG2 4.37Å; R394-T398 HydrophobicContact CG-CG2 4.48Å | ||
| 395 | S | 95.1 | Very high | 94.4 | Very high | 64 Ų | 64 | 51.1 Ų | 51.1 | 45% | 0.448 | 27% | 0.265 | S | S | . | . | trans | -82.9 | 155.9 | 169.8 | 83.4 | 0 | 0 | 0 | 0 | 110.7 | G397 T398 L399 | S395-G397 VanDerWaalsContact C-N 3.29Å; S395-G397 PolarHBondContact O-N 3.35Å; S395-T398 WeakPolarHBondContact O-CB 3.44Å; S395-T398 PolarHBondContact O-N 2.96Å; S395-T398 PolarHBondContact OG-N 3.01Å; S395-T398 VanDerWaalsContact OG-N 3.09Å; S395-T398 PolarHBondContact OG-OG1 3.19Å; S395-L399 PolarHBondContact O-N 3.47Å | ||
| 396 | Q | 93.8 | Very high | 94.3 | Very high | 86 Ų | 86 | 51 Ų | 51 | 40% | 0.402 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57 | -43 | 174 | 178.6 | -82.9 | -26.7 | 0 | 0 | 111.6 | Q384 A385 T398 L399 S400 | Q384-Q396 HydrophobicContact CB-CG 4.32Å; Q384-Q396 HydrophobicContact CG-CG 4.29Å; A385-Q396 HydrophobicContact CB-CB 3.95Å; A385-Q396 HydrophobicContact CB-CG 4.08Å; Q396-T398 PolarHBondContact O-N 2.86Å; Q396-L399 PolarHBondContact O-N 3.49Å; Q396-L399 VanDerWaalsContact O-N 3.17Å; Q396-S400 PolarHBondContact O-N 2.92Å |
| 397 | G | 95 | Very high | 94.2 | Very high | 28 Ų | 28 | 53.8 Ų | 53.8 | 29% | 0.289 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S395 L399 S400 D401 | S395-G397 VanDerWaalsContact C-N 3.29Å; S395-G397 PolarHBondContact O-N 3.35Å; G397-L399 VanDerWaalsContact C-N 3.28Å; G397-L399 PolarHBondContact O-N 2.65Å; G397-S400 WeakPolarHBondContact O-CB 3.37Å; G397-S400 PolarHBondContact O-N 2.84Å; G397-S400 VanDerWaalsContact O-N 3.1Å; G397-D401 PolarHBondContact O-N 3.36Å |
| 398 | T | 95 | Very high | 94 | Very high | 59 Ų | 59 | 57.3 Ų | 57.3 | 36% | 0.362 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.9 | -42.9 | 175.2 | -50 | 0 | 0 | 0 | 0 | 111.6 | R394 S395 Q396 L402 | R394-T398 HydrophobicContact CB-CG2 4.37Å; R394-T398 HydrophobicContact CG-CG2 4.48Å; S395-T398 WeakPolarHBondContact O-CB 3.44Å; S395-T398 PolarHBondContact O-N 2.96Å; S395-T398 PolarHBondContact OG-N 3.01Å; S395-T398 VanDerWaalsContact OG-N 3.09Å; S395-T398 PolarHBondContact OG-OG1 3.19Å; Q396-T398 PolarHBondContact O-N 2.86Å; T398-L402 HydrophobicContact CG2-CD1 4.24Å; T398-L402 WeakPolarHBondContact O-CB 3.5Å; T398-L402 VanDerWaalsContact O-CG 3.26Å; T398-L402 WeakPolarHBondContact O-CG 3.5Å; T398-L402 PolarHBondContact O-N 3.06Å; T398-L402 VanDerWaalsContact O-N 3.11Å |
| 399 | L | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.1 | -36.6 | 177.4 | -178.6 | 59.8 | 0 | 0 | 0 | 112.3 | Q384 F387 A388 L392 S395 Q396 G397 L402 L403 M422 | Q384-L399 HydrophobicContact CG-CB 4.2Å; Q384-L399 HydrophobicContact CG-CD2 3.42Å; Q384-L399 VanDerWaalsContact CG-CD2 3.42Å; Q384-L399 HydrophobicContact CG-CG 3.79Å; F387-L399 HydrophobicContact CD1-CD2 3.6Å; F387-L399 HydrophobicContact CE1-CD2 4.34Å; A388-L399 HydrophobicContact CB-CB 3.88Å; A388-L399 HydrophobicContact CB-CD2 3.74Å; A388-L399 HydrophobicContact CB-CG 4.46Å; L392-L399 HydrophobicContact CD1-CD1 3.75Å; L392-L399 HydrophobicContact CD1-CD2 4.43Å; S395-L399 PolarHBondContact O-N 3.47Å; Q396-L399 PolarHBondContact O-N 3.49Å; Q396-L399 VanDerWaalsContact O-N 3.17Å; G397-L399 VanDerWaalsContact C-N 3.28Å; G397-L399 PolarHBondContact O-N 2.65Å; L399-L402 PolarHBondContact O-N 2.87Å; L399-L403 HydrophobicContact CD1-CD1 3.9Å; L399-L403 HydrophobicContact CD1-CD2 4.16Å; L399-L403 HydrophobicContact CD1-CG 3.75Å; L399-L403 HydrophobicContact CG-CD1 3.99Å; L399-L403 HydrophobicContact CG-CG 4.21Å; L399-L403 WeakPolarHBondContact O-CG 3.48Å; L399-L403 PolarHBondContact O-N 3.12Å; L399-M422 HydrophobicContact CD1-CE 3.32Å |
| 400 | S | 96.8 | Very high | 93.8 | Very high | 22 Ų | 22 | 58.6 Ų | 58.6 | 15% | 0.154 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62 | -45.2 | 175.3 | -168.8 | 0 | 0 | 0 | 0 | 112 | Q384 Q396 G397 R404 | Q384-S400 VanDerWaalsContact NE2-CA 3.32Å; Q396-S400 PolarHBondContact O-N 2.92Å; G397-S400 WeakPolarHBondContact O-CB 3.37Å; G397-S400 PolarHBondContact O-N 2.84Å; G397-S400 VanDerWaalsContact O-N 3.1Å; S400-R404 WeakPolarHBondContact O-CB 3.24Å; S400-R404 WeakPolarHBondContact O-CD 3.23Å; S400-R404 WeakPolarHBondContact O-CG 3.29Å; S400-R404 PolarHBondContact O-N 3.47Å; S400-R404 VanDerWaalsContact O-N 3.13Å; S400-R404 PolarHBondContact OG-NE 3.42Å |
| 401 | D | 93.6 | Very high | 93.8 | Very high | 77 Ų | 77 | 62.3 Ų | 62.3 | 41% | 0.412 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 173.5 | -83 | -65.7 | 0 | 0 | 0 | 111.9 | G397 N405 | G397-D401 PolarHBondContact O-N 3.36Å; D401-N405 PolarHBondContact O-N 3Å |
| 402 | L | 95.3 | Very high | 93.7 | Very high | 41 Ų | 41 | 61.8 Ų | 61.8 | 22% | 0.215 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.9 | -44.7 | -179.8 | -76.5 | 169.4 | 0 | 0 | 0 | 113.2 | T398 L399 P406 T418 F419 M422 | T398-L402 HydrophobicContact CG2-CD1 4.24Å; T398-L402 WeakPolarHBondContact O-CB 3.5Å; T398-L402 VanDerWaalsContact O-CG 3.26Å; T398-L402 WeakPolarHBondContact O-CG 3.5Å; T398-L402 PolarHBondContact O-N 3.06Å; T398-L402 VanDerWaalsContact O-N 3.11Å; L399-L402 PolarHBondContact O-N 2.87Å; L402-P406 VanDerWaalsContact O-CA 3.32Å; L402-P406 WeakPolarHBondContact O-CA 3.16Å; L402-P406 WeakPolarHBondContact O-CB 3.49Å; L402-P406 WeakPolarHBondContact O-CD 3.42Å; L402-T418 HydrophobicContact CD1-CG2 3.82Å; L402-F419 HydrophobicContact CD2-CE2 4Å; L402-F419 HydrophobicContact CD2-CZ 4.13Å; L402-M422 HydrophobicContact CD1-CE 4.38Å |
| 403 | L | 96.1 | Very high | 93.4 | Very high | 19 Ų | 19 | 71 Ų | 71 | 10% | 0.099 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -77 | -31.1 | -177 | -63.8 | -178.4 | 0 | 0 | 0 | 112.9 | A370 I373 L377 L399 M422 | A370-L403 HydrophobicContact CB-CD2 3.9Å; I373-L403 HydrophobicContact CB-CD2 4.18Å; I373-L403 HydrophobicContact CG2-CD1 4.1Å; I373-L403 HydrophobicContact CG2-CD2 3.9Å; L377-L403 HydrophobicContact CD1-CD1 4.37Å; L399-L403 HydrophobicContact CD1-CD1 3.9Å; L399-L403 HydrophobicContact CD1-CD2 4.16Å; L399-L403 HydrophobicContact CD1-CG 3.75Å; L399-L403 HydrophobicContact CG-CD1 3.99Å; L399-L403 HydrophobicContact CG-CG 4.21Å; L399-L403 WeakPolarHBondContact O-CG 3.48Å; L399-L403 PolarHBondContact O-N 3.12Å; L403-M422 HydrophobicContact CD2-CE 4.2Å; L403-M422 HydrophobicContact CD2-SD 4.33Å |
| 404 | R | 93.1 | Very high | 93.2 | Very high | 187 Ų | 187 | 74 Ų | 74 | 71% | 0.706 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -76.9 | -36.9 | 179.8 | -70.5 | 171.3 | 179.6 | -95.5 | 0.6 | 113.1 | S400 | S400-R404 WeakPolarHBondContact O-CB 3.24Å; S400-R404 WeakPolarHBondContact O-CD 3.23Å; S400-R404 WeakPolarHBondContact O-CG 3.29Å; S400-R404 PolarHBondContact O-N 3.47Å; S400-R404 VanDerWaalsContact O-N 3.13Å; S400-R404 PolarHBondContact OG-NE 3.42Å |
| 405 | N | 90.4 | Very high | 93.1 | Very high | 72 Ų | 72 | 70.3 Ų | 70.3 | 39% | 0.385 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -139.4 | 64.1 | -175 | -68.3 | -96.4 | 0 | 0 | 0 | 110.6 | D401 K407 R516 | D401-N405 PolarHBondContact O-N 3Å; N405-K407 PolarHBondContact O-N 2.92Å; N405-R516 WeakPolarHBondContact OD1-CD 3.35Å; N405-R516 PolarHBondContact OD1-NH1 2.99Å |
| 406 | P | 93.4 | Very high | 93.1 | Very high | 30 Ų | 30 | 70.6 Ų | 70.6 | 20% | 0.195 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 127 | -179.8 | 24.8 | -32.7 | 0 | 0 | 0 | 110.3 | T366 K367 A370 L402 F419 | T366-P406 WeakPolarHBondContact O-CB 3.29Å; K367-P406 HydrophobicContact CB-CG 4.3Å; A370-P406 HydrophobicContact CB-CB 4.15Å; A370-P406 HydrophobicContact CB-CG 3.91Å; L402-P406 VanDerWaalsContact O-CA 3.32Å; L402-P406 WeakPolarHBondContact O-CA 3.16Å; L402-P406 WeakPolarHBondContact O-CB 3.49Å; L402-P406 WeakPolarHBondContact O-CD 3.42Å; P406-F419 HydrophobicContact CB-CE1 4.23Å; P406-F419 HydrophobicContact CB-CZ 4Å |
| 407 | K | 92.2 | Very high | 93.1 | Very high | 116 Ų | 116 | 70 Ų | 70 | 50% | 0.504 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -68 | 143.8 | 170.8 | -69.2 | -178.4 | 62.8 | -170.4 | 0 | 109.5 | T366 N405 K411 L412 | T366-K407 WeakPolarHBondContact CB-O 3.38Å; T366-K407 PolarHBondContact OG1-O 2.69Å; N405-K407 PolarHBondContact O-N 2.92Å; K407-K411 WeakPolarHBondContact CE-O 3.45Å; K407-K411 PolarHBondContact NZ-O 3.05Å; K407-L412 HydrophobicContact CB-CD2 3.86Å; K407-L412 HydrophobicContact CB-CG 4.32Å; K407-L412 HydrophobicContact CD-CD2 4.22Å |
| 408 | P | 92.8 | Very high | 93.1 | Very high | 74 Ų | 74 | 69.2 Ų | 69.2 | 48% | 0.481 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 147.6 | 174.4 | 26.5 | -34.5 | 0 | 0 | 0 | 111 | S410 K411 | P408-S410 VanDerWaalsContact C-N 3.31Å; P408-S410 PolarHBondContact O-N 3.42Å; P408-K411 HydrophobicContact CG-CB 4.13Å; P408-K411 HydrophobicContact CG-CG 3.79Å; P408-K411 PolarHBondContact O-N 3.02Å |
| 409 | W | 93.9 | Very high | 93.2 | Very high | 16 Ų | 16 | 66.4 Ų | 66.4 | 6% | 0.061 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -52.6 | -44.5 | -172.8 | -174 | -119.7 | 0 | 0 | 0 | 113.6 | E362 I364 T366 K411 L412 R416 F419 R420 | E362-W409 WeakPolarHBondContact O-CZ2 3.49Å; E362-W409 PolarHBondContact O-NE1 2.98Å; I364-W409 HydrophobicContact CB-CD2 4.24Å; I364-W409 HydrophobicContact CB-CE3 3.94Å; I364-W409 HydrophobicContact CB-CH2 4.17Å; I364-W409 HydrophobicContact CB-CZ2 4.44Å; I364-W409 HydrophobicContact CB-CZ3 3.91Å; I364-W409 HydrophobicContact CD1-CH2 3.67Å; I364-W409 HydrophobicContact CD1-CZ2 4.36Å; I364-W409 HydrophobicContact CD1-CZ3 3.93Å; I364-W409 HydrophobicContact CG1-CH2 3.93Å; I364-W409 HydrophobicContact CG1-CZ2 4.19Å; I364-W409 HydrophobicContact CG1-CZ3 4.16Å; I364-W409 WeakPolarHBondContact O-CB 3.3Å; T366-W409 HydrophobicContact CG2-CB 4.26Å; T366-W409 HydrophobicContact CG2-CE3 3.86Å; W409-K411 PolarHBondContact O-N 3.19Å; W409-L412 HydrophobicContact CE3-CD1 4.14Å; W409-L412 WeakPolarHBondContact O-CB 3.46Å; W409-L412 PolarHBondContact O-N 2.95Å; W409-R416 HydrophobicContact CD2-CG 4.3Å; W409-R416 HydrophobicContact CE3-CB 4.43Å; W409-R416 HydrophobicContact CE3-CG 3.97Å; W409-R416 HydrophobicContact CH2-CB 3.66Å; W409-R416 HydrophobicContact CH2-CG 3.87Å; W409-R416 HydrophobicContact CZ2-CB 4.34Å; W409-R416 HydrophobicContact CZ2-CG 4.19Å; W409-R416 HydrophobicContact CZ3-CB 3.7Å; W409-R416 HydrophobicContact CZ3-CG 3.75Å; W409-F419 HydrophobicContact CZ3-CB 4.18Å; W409-R420 HydrophobicContact CH2-CG 4.14Å |
| 410 | S | 91.3 | Very high | 93.1 | Very high | 88 Ų | 88 | 71.6 Ų | 71.6 | 62% | 0.615 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -56.9 | -30.2 | 176.1 | 59 | 0 | 0 | 0 | 0 | 113.9 | P408 | P408-S410 VanDerWaalsContact C-N 3.31Å; P408-S410 PolarHBondContact O-N 3.42Å |
| 411 | K | 91.1 | Very high | 93 | Very high | 145 Ų | 145 | 75.2 Ų | 75.2 | 63% | 0.63 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -91.7 | 7.7 | 178.4 | -58 | -70.1 | -174 | 178.6 | 0 | 113.4 | K407 P408 W409 | K407-K411 WeakPolarHBondContact CE-O 3.45Å; K407-K411 PolarHBondContact NZ-O 3.05Å; P408-K411 HydrophobicContact CG-CB 4.13Å; P408-K411 HydrophobicContact CG-CG 3.79Å; P408-K411 PolarHBondContact O-N 3.02Å; W409-K411 PolarHBondContact O-N 3.19Å |
| 412 | L | 91.5 | Very high | 93.2 | Very high | 16 Ų | 16 | 71.5 Ų | 71.5 | 8% | 0.084 | 35% | 0.35 | C | S | . | . | trans | -102.4 | 134.6 | 174.4 | -65.2 | 177.3 | 0 | 0 | 0 | 111.2 | T366 K407 W409 R416 F419 | T366-L412 HydrophobicContact CG2-CD1 3.88Å; K407-L412 HydrophobicContact CB-CD2 3.86Å; K407-L412 HydrophobicContact CB-CG 4.32Å; K407-L412 HydrophobicContact CD-CD2 4.22Å; W409-L412 HydrophobicContact CE3-CD1 4.14Å; W409-L412 WeakPolarHBondContact O-CB 3.46Å; W409-L412 PolarHBondContact O-N 2.95Å; L412-R416 HydrophobicContact CB-CG 3.6Å; L412-R416 PolarHBondContact O-NE 3.44Å; L412-R416 PolarHBondContact O-NH2 3.4Å; L412-F419 HydrophobicContact CD1-CD2 3.58Å; L412-F419 HydrophobicContact CD1-CE2 3.61Å | ||
| 413 | K | 87.9 | Confident | 93.2 | Very high | 195 Ų | 195 | 71 Ų | 71 | 85% | 0.848 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -109.7 | -97 | 168 | -164.4 | 175 | 176.8 | 81.3 | 0 | 109.2 | G415 R416 | K413-G415 PolarHBondContact O-N 3.37Å; K413-G415 VanDerWaalsContact O-N 3.16Å; K413-R416 WeakPolarHBondContact O-CG 3.45Å; K413-R416 PolarHBondContact O-N 3.04Å |
| 414 | S | 88.7 | Confident | 93.2 | Very high | 117 Ų | 117 | 76.4 Ų | 76.4 | 82% | 0.818 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -24.4 | 175.3 | 54.1 | 0 | 0 | 0 | 0 | 114.7 | R416 | S414-R416 VanDerWaalsContact C-N 3.3Å; S414-R416 PolarHBondContact O-N 2.99Å |
| 415 | G | 91.1 | Very high | 93.3 | Very high | 24 Ų | 24 | 67.9 Ų | 67.9 | 25% | 0.247 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -18.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | K413 E417 T418 | K413-G415 PolarHBondContact O-N 3.37Å; K413-G415 VanDerWaalsContact O-N 3.16Å; G415-E417 VanDerWaalsContact C-N 3.26Å; G415-E417 PolarHBondContact O-N 2.84Å; G415-T418 PolarHBondContact O-N 3.08Å; G415-T418 VanDerWaalsContact O-N 3.15Å |
| 416 | R | 94.8 | Very high | 93.5 | Very high | 70 Ų | 70 | 66 Ų | 66 | 26% | 0.264 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -56.7 | -40.4 | -177.8 | -70.2 | -172.5 | -172.8 | -166.1 | 0.6 | 112.3 | W409 L412 K413 S414 T418 F419 R420 | W409-R416 HydrophobicContact CD2-CG 4.3Å; W409-R416 HydrophobicContact CE3-CB 4.43Å; W409-R416 HydrophobicContact CE3-CG 3.97Å; W409-R416 HydrophobicContact CH2-CB 3.66Å; W409-R416 HydrophobicContact CH2-CG 3.87Å; W409-R416 HydrophobicContact CZ2-CB 4.34Å; W409-R416 HydrophobicContact CZ2-CG 4.19Å; W409-R416 HydrophobicContact CZ3-CB 3.7Å; W409-R416 HydrophobicContact CZ3-CG 3.75Å; L412-R416 HydrophobicContact CB-CG 3.6Å; L412-R416 PolarHBondContact O-NE 3.44Å; L412-R416 PolarHBondContact O-NH2 3.4Å; K413-R416 WeakPolarHBondContact O-CG 3.45Å; K413-R416 PolarHBondContact O-N 3.04Å; S414-R416 VanDerWaalsContact C-N 3.3Å; S414-R416 PolarHBondContact O-N 2.99Å; R416-T418 PolarHBondContact O-N 3.34Å; R416-F419 PolarHBondContact O-N 2.95Å; R416-R420 PolarHBondContact O-N 3Å |
| 417 | E | 94.4 | Very high | 93.6 | Very high | 73 Ų | 73 | 70.7 Ų | 70.7 | 34% | 0.341 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.8 | -30.5 | -178.9 | 178.6 | 56 | -165.5 | 0 | 0 | 113.6 | G415 F419 R420 R421 | G415-E417 VanDerWaalsContact C-N 3.26Å; G415-E417 PolarHBondContact O-N 2.84Å; E417-F419 VanDerWaalsContact C-N 3.35Å; E417-R420 PolarHBondContact O-N 3.19Å; E417-R420 IonicContact OE2-NH1 2.7Å; E417-R421 WeakPolarHBondContact O-CG 3.32Å; E417-R421 PolarHBondContact O-N 3.17Å; E417-R421 VanDerWaalsContact O-N 3.17Å; E417-R421 IonicContact OE1-CZ 3.9Å; E417-R421 IonicContact OE1-NE 2.76Å; E417-R421 PolarHBondContact OE1-NE 3.49Å; E417-R421 IonicContact OE1-NH2 3.17Å; E417-R421 PolarHBondContact OE1-NH2 3.35Å |
| 418 | T | 95.6 | Very high | 93.6 | Very high | 12 Ų | 12 | 67.2 Ų | 67.2 | 7% | 0.074 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70.6 | -34.1 | 176.8 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | L392 L402 G415 R416 M422 | L392-T418 HydrophobicContact CD1-CG2 4.27Å; L392-T418 HydrophobicContact CD2-CG2 4.45Å; L402-T418 HydrophobicContact CD1-CG2 3.82Å; G415-T418 PolarHBondContact O-N 3.08Å; G415-T418 VanDerWaalsContact O-N 3.15Å; R416-T418 PolarHBondContact O-N 3.34Å; T418-M422 HydrophobicContact CG2-CE 4.24Å; T418-M422 WeakPolarHBondContact O-CG 3.43Å; T418-M422 PolarHBondContact O-N 3.1Å |
| 419 | F | 96.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 66.5 Ų | 66.5 | 0% | 0.004 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -75.6 | -36.2 | 173.6 | -74.3 | -83.5 | 0 | 0 | 0 | 112.2 | T366 L369 L402 P406 W409 L412 R416 E417 R421 M422 L423 | T366-F419 HydrophobicContact CG2-CD1 4.07Å; T366-F419 HydrophobicContact CG2-CD2 4.19Å; T366-F419 HydrophobicContact CG2-CE1 4.16Å; T366-F419 HydrophobicContact CG2-CE2 4.28Å; T366-F419 HydrophobicContact CG2-CG 4.08Å; T366-F419 HydrophobicContact CG2-CZ 4.26Å; L369-F419 HydrophobicContact CD2-CB 4.15Å; L369-F419 HydrophobicContact CD2-CD1 4.05Å; L369-F419 WeakPolarHBondContact CD2-O 3.27Å; L402-F419 HydrophobicContact CD2-CE2 4Å; L402-F419 HydrophobicContact CD2-CZ 4.13Å; P406-F419 HydrophobicContact CB-CE1 4.23Å; P406-F419 HydrophobicContact CB-CZ 4Å; W409-F419 HydrophobicContact CZ3-CB 4.18Å; L412-F419 HydrophobicContact CD1-CD2 3.58Å; L412-F419 HydrophobicContact CD1-CE2 3.61Å; R416-F419 PolarHBondContact O-N 2.95Å; E417-F419 VanDerWaalsContact C-N 3.35Å; F419-R421 VanDerWaalsContact C-N 3.3Å; F419-R421 PolarHBondContact O-N 3.05Å; F419-M422 HydrophobicContact CD1-SD 3.89Å; F419-M422 HydrophobicContact CE1-SD 4.25Å; F419-M422 WeakPolarHBondContact O-CB 3.43Å; F419-M422 PolarHBondContact O-N 3.32Å; F419-M422 VanDerWaalsContact O-N 3.12Å; F419-L423 PolarHBondContact O-N 3.01Å |
| 420 | R | 95.4 | Very high | 93.7 | Very high | 108 Ų | 108 | 70.7 Ų | 70.7 | 41% | 0.408 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.8 | -41 | 173.2 | -66.2 | -165.8 | -170.2 | 111.1 | -5.8 | 112.6 | I364 W409 R416 E417 M422 L423 K424 | I364-R420 HydrophobicContact CD1-CG 3.98Å; W409-R420 HydrophobicContact CH2-CG 4.14Å; R416-R420 PolarHBondContact O-N 3Å; E417-R420 PolarHBondContact O-N 3.19Å; E417-R420 IonicContact OE2-NH1 2.7Å; R420-M422 VanDerWaalsContact C-N 3.35Å; R420-M422 PolarHBondContact O-N 3.31Å; R420-L423 PolarHBondContact O-N 3.16Å; R420-K424 WeakPolarHBondContact O-CB 3.21Å; R420-K424 PolarHBondContact O-N 2.67Å |
| 421 | R | 95.2 | Very high | 93.7 | Very high | 98 Ų | 98 | 73.8 Ų | 73.8 | 37% | 0.37 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.2 | -34.7 | 175.1 | -68.3 | 174.4 | -163.5 | -178.5 | 0.1 | 113.2 | L392 E417 F419 W425 | L392-R421 HydrophobicContact CD2-CB 3.66Å; E417-R421 WeakPolarHBondContact O-CG 3.32Å; E417-R421 PolarHBondContact O-N 3.17Å; E417-R421 VanDerWaalsContact O-N 3.17Å; E417-R421 IonicContact OE1-CZ 3.9Å; E417-R421 IonicContact OE1-NE 2.76Å; E417-R421 PolarHBondContact OE1-NE 3.49Å; E417-R421 IonicContact OE1-NH2 3.17Å; E417-R421 PolarHBondContact OE1-NH2 3.35Å; F419-R421 VanDerWaalsContact C-N 3.3Å; F419-R421 PolarHBondContact O-N 3.05Å; R421-W425 WeakPolarHBondContact O-CB 3.41Å; R421-W425 PolarHBondContact O-N 2.97Å |
| 422 | M | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.8 | -49.2 | 170.9 | -70 | 172.3 | -177.6 | 0 | 0 | 111.2 | L369 I373 F387 L392 L399 L402 L403 T418 F419 R420 W425 L426 | L369-M422 HydrophobicContact CD1-CB 4.44Å; L369-M422 HydrophobicContact CD2-CB 4.22Å; L369-M422 HydrophobicContact CG-CB 4.42Å; I373-M422 HydrophobicContact CD1-CB 3.9Å; I373-M422 HydrophobicContact CD1-CG 4.45Å; I373-M422 HydrophobicContact CG1-CB 3.98Å; I373-M422 HydrophobicContact CG1-CG 4.38Å; F387-M422 HydrophobicContact CE1-CG 4.23Å; F387-M422 HydrophobicContact CZ-CG 4.3Å; L392-M422 HydrophobicContact CD1-CE 3.53Å; L392-M422 HydrophobicContact CD1-CG 4.1Å; L392-M422 HydrophobicContact CD2-CG 3.93Å; L399-M422 HydrophobicContact CD1-CE 3.32Å; L402-M422 HydrophobicContact CD1-CE 4.38Å; L403-M422 HydrophobicContact CD2-CE 4.2Å; L403-M422 HydrophobicContact CD2-SD 4.33Å; T418-M422 HydrophobicContact CG2-CE 4.24Å; T418-M422 WeakPolarHBondContact O-CG 3.43Å; T418-M422 PolarHBondContact O-N 3.1Å; F419-M422 HydrophobicContact CD1-SD 3.89Å; F419-M422 HydrophobicContact CE1-SD 4.25Å; F419-M422 WeakPolarHBondContact O-CB 3.43Å; F419-M422 PolarHBondContact O-N 3.32Å; F419-M422 VanDerWaalsContact O-N 3.12Å; R420-M422 VanDerWaalsContact C-N 3.35Å; R420-M422 PolarHBondContact O-N 3.31Å; M422-W425 PolarHBondContact O-N 3.07Å; M422-L426 WeakPolarHBondContact O-CB 3.21Å; M422-L426 PolarHBondContact O-N 2.82Å |
| 423 | L | 95.9 | Very high | 94 | Very high | 30 Ų | 30 | 70.8 Ų | 70.8 | 16% | 0.157 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.7 | -49.4 | -179.6 | -179 | 58.9 | 0 | 0 | 0 | 111.3 | E362 I364 L369 F419 R420 W425 L426 Q427 | E362-L423 WeakPolarHBondContact OE1-CD2 3.26Å; I364-L423 HydrophobicContact CD1-CB 4.3Å; I364-L423 HydrophobicContact CD1-CD2 3.57Å; I364-L423 HydrophobicContact CG1-CD2 3.86Å; L369-L423 HydrophobicContact CD1-CB 4.24Å; L369-L423 HydrophobicContact CD1-CD1 4.17Å; L369-L423 HydrophobicContact CD2-CB 3.91Å; F419-L423 PolarHBondContact O-N 3.01Å; R420-L423 PolarHBondContact O-N 3.16Å; L423-W425 PolarHBondContact O-N 3.1Å; L423-L426 WeakPolarHBondContact O-CB 3.39Å; L423-L426 PolarHBondContact O-N 3.03Å; L423-Q427 HydrophobicContact CD1-CG 4.42Å; L423-Q427 WeakPolarHBondContact O-CG 3.4Å; L423-Q427 PolarHBondContact O-N 2.79Å |
| 424 | K | 94.7 | Very high | 94.2 | Very high | 132 Ų | 132 | 64 Ų | 64 | 57% | 0.574 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -53.1 | -54.6 | 174.3 | 178.6 | 169.5 | 178.9 | 168.7 | 0 | 110.7 | R420 L426 Q427 E428 | R420-K424 WeakPolarHBondContact O-CB 3.21Å; R420-K424 PolarHBondContact O-N 2.67Å; K424-L426 PolarHBondContact O-N 2.97Å; K424-Q427 WeakPolarHBondContact O-CB 3.49Å; K424-Q427 PolarHBondContact O-N 2.69Å; K424-E428 WeakPolarHBondContact CE-OE1 3.19Å; K424-E428 IonicContact NZ-OE1 3.18Å; K424-E428 WeakPolarHBondContact O-CG 3.46Å; K424-E428 PolarHBondContact O-N 3.41Å |
| 425 | W | 95.7 | Very high | 94.3 | Very high | 8 Ų | 8 | 60.5 Ų | 60.5 | 3% | 0.03 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.7 | -31.8 | 178.6 | -179.4 | 88 | 0 | 0 | 0 | 113.1 | I373 E376 L377 I382 F387 V391 R421 M422 L423 R433 L437 | I373-W425 HydrophobicContact CD1-CE3 4.05Å; I373-W425 HydrophobicContact CD1-CZ3 4.31Å; E376-W425 HydrophobicContact CB-CZ3 4.42Å; E376-W425 HydrophobicContact CG-CH2 4.3Å; E376-W425 HydrophobicContact CG-CZ3 4.17Å; L377-W425 HydrophobicContact CD2-CH2 4.48Å; I382-W425 HydrophobicContact CD1-CH2 4.04Å; I382-W425 HydrophobicContact CD1-CZ2 4.17Å; F387-W425 HydrophobicContact CD2-CD2 4.22Å; F387-W425 HydrophobicContact CD2-CE3 4.44Å; F387-W425 HydrophobicContact CD2-CZ2 4.31Å; F387-W425 HydrophobicContact CE2-CB 4.31Å; F387-W425 AromaticContact CE2-CD2 3.42Å; F387-W425 HydrophobicContact CE2-CD2 3.42Å; F387-W425 VanDerWaalsContact CE2-CD2 3.42Å; F387-W425 AromaticContact CE2-CE2 3.8Å; F387-W425 AromaticContact CE2-CE3 3.58Å; F387-W425 HydrophobicContact CE2-CE3 3.58Å; F387-W425 AromaticContact CE2-CG 3.75Å; F387-W425 HydrophobicContact CE2-CG 3.75Å; F387-W425 HydrophobicContact CE2-CH2 4.42Å; F387-W425 HydrophobicContact CE2-CZ2 4.29Å; F387-W425 HydrophobicContact CE2-CZ3 4.09Å; F387-W425 HydrophobicContact CZ-CD2 4.25Å; F387-W425 HydrophobicContact CZ-CE3 4.07Å; V391-W425 HydrophobicContact CG1-CB 3.78Å; V391-W425 HydrophobicContact CG1-CG 3.9Å; V391-W425 HydrophobicContact CG2-CG 4.31Å; R421-W425 WeakPolarHBondContact O-CB 3.41Å; R421-W425 PolarHBondContact O-N 2.97Å; M422-W425 PolarHBondContact O-N 3.07Å; L423-W425 PolarHBondContact O-N 3.1Å; W425-R433 HydrophobicContact CD2-CG 4.33Å; W425-R433 HydrophobicContact CZ2-CB 3.85Å; W425-R433 HydrophobicContact CZ2-CG 4.4Å; W425-R433 PolarHBondContact NE1-O 3.34Å; W425-R433 WeakPolarHBondContact O-CD 3.39Å; W425-R433 WeakPolarHBondContact O-CG 3.15Å; W425-L437 HydrophobicContact CZ2-CD1 4.29Å |
| 426 | L | 95.8 | Very high | 94.2 | Very high | 33 Ų | 33 | 61 Ų | 61 | 17% | 0.173 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -72.3 | -31.7 | 176.1 | -168.5 | 68.7 | 0 | 0 | 0 | 112.6 | L369 R372 I373 E376 M422 L423 K424 | L369-L426 HydrophobicContact CD1-CD2 4.12Å; R372-L426 HydrophobicContact CB-CD2 3.75Å; I373-L426 HydrophobicContact CD1-CB 4.23Å; I373-L426 HydrophobicContact CD1-CD1 4.42Å; E376-L426 HydrophobicContact CB-CD1 4.2Å; E376-L426 HydrophobicContact CG-CD1 4.07Å; M422-L426 WeakPolarHBondContact O-CB 3.21Å; M422-L426 PolarHBondContact O-N 2.82Å; L423-L426 WeakPolarHBondContact O-CB 3.39Å; L423-L426 PolarHBondContact O-N 3.03Å; K424-L426 PolarHBondContact O-N 2.97Å |
| 427 | Q | 94.6 | Very high | 94 | Very high | 128 Ų | 128 | 58.4 Ų | 58.4 | 60% | 0.598 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -77.5 | -25.5 | 176.3 | -69.1 | 168.7 | -11.1 | 0 | 0 | 113.3 | L423 K424 | L423-Q427 HydrophobicContact CD1-CG 4.42Å; L423-Q427 WeakPolarHBondContact O-CG 3.4Å; L423-Q427 PolarHBondContact O-N 2.79Å; K424-Q427 WeakPolarHBondContact O-CB 3.49Å; K424-Q427 PolarHBondContact O-N 2.69Å |
| 428 | E | 93 | Very high | 93.5 | Very high | 43 Ų | 43 | 63.8 Ų | 63.8 | 20% | 0.201 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -59.5 | 144.5 | 176.6 | -60.1 | -61.3 | -179.5 | 0 | 0 | 111.6 | K424 Q432 R433 | K424-E428 WeakPolarHBondContact CE-OE1 3.19Å; K424-E428 IonicContact NZ-OE1 3.18Å; K424-E428 WeakPolarHBondContact O-CG 3.46Å; K424-E428 PolarHBondContact O-N 3.41Å; E428-Q432 HydrophobicContact CB-CB 4.24Å; E428-Q432 HydrophobicContact CB-CG 4.08Å; E428-Q432 VanDerWaalsContact CD-NE2 3.26Å; E428-Q432 HydrophobicContact CG-CG 4.19Å; E428-Q432 PolarHBondContact OE2-NE2 2.84Å; E428-R433 HydrophobicContact CB-CG 3.72Å; E428-R433 WeakPolarHBondContact O-CD 3.41Å; E428-R433 VanDerWaalsContact O-CG 3.29Å; E428-R433 WeakPolarHBondContact O-CG 3.46Å |
| 429 | P | 93.9 | Very high | 91.9 | Very high | 60 Ų | 60 | 69.9 Ų | 69.9 | 39% | 0.39 | 33% | 0.327 | S | S | . | . | trans | -64.4 | 154.3 | 175 | 27.9 | -35.1 | 0 | 0 | 0 | 111.6 | F431 Q432 R433 | P429-F431 VanDerWaalsContact C-N 3.31Å; P429-F431 HydrophobicContact CB-CD1 3.94Å; P429-F431 HydrophobicContact CB-CE1 3.57Å; P429-F431 HydrophobicContact CB-CZ 4.27Å; P429-F431 HydrophobicContact CG-CD1 4.13Å; P429-F431 HydrophobicContact CG-CE1 3.47Å; P429-F431 VanDerWaalsContact CG-CE1 3.47Å; P429-F431 HydrophobicContact CG-CE2 4.43Å; P429-F431 HydrophobicContact CG-CZ 3.64Å; P429-F431 PolarHBondContact O-N 2.92Å; P429-F431 VanDerWaalsContact O-N 3.13Å; P429-Q432 HydrophobicContact CG-CB 3.93Å; P429-Q432 WeakPolarHBondContact O-CA 3.33Å; P429-Q432 WeakPolarHBondContact O-CB 3.4Å; P429-Q432 PolarHBondContact O-N 3.37Å; P429-R433 PolarHBondContact O-N 3.24Å | ||
| 430 | E | 93.1 | Very high | 90 | Very high | 104 Ų | 104 | 71.6 Ų | 71.6 | 49% | 0.486 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -53.2 | -42.8 | -169.2 | -172.8 | 174.9 | 139.4 | 0 | 0 | 114.1 | Y380 Q432 R433 M434 | Y380-E430 HydrophobicContact CE1-CG 4.31Å; Y380-E430 WeakPolarHBondContact CE1-OE1 3.37Å; Y380-E430 VanDerWaalsContact OH-CD 3.25Å; Y380-E430 PolarHBondContact OH-OE2 2.88Å; E430-Q432 VanDerWaalsContact C-N 3.28Å; E430-Q432 PolarHBondContact O-N 3.14Å; E430-R433 WeakPolarHBondContact O-CB 3.49Å; E430-R433 PolarHBondContact O-N 3.46Å; E430-M434 WeakPolarHBondContact O-CB 3.42Å; E430-M434 PolarHBondContact O-N 3.4Å |
| 431 | F | 92.8 | Very high | 87.9 | Confident | 152 Ų | 152 | 69.9 Ų | 69.9 | 67% | 0.667 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.6 | -35.9 | 178.4 | 70.3 | -93.5 | 0 | 0 | 0 | 112.6 | P429 M434 S435 | P429-F431 VanDerWaalsContact C-N 3.31Å; P429-F431 HydrophobicContact CB-CD1 3.94Å; P429-F431 HydrophobicContact CB-CE1 3.57Å; P429-F431 HydrophobicContact CB-CZ 4.27Å; P429-F431 HydrophobicContact CG-CD1 4.13Å; P429-F431 HydrophobicContact CG-CE1 3.47Å; P429-F431 VanDerWaalsContact CG-CE1 3.47Å; P429-F431 HydrophobicContact CG-CE2 4.43Å; P429-F431 HydrophobicContact CG-CZ 3.64Å; P429-F431 PolarHBondContact O-N 2.92Å; P429-F431 VanDerWaalsContact O-N 3.13Å; F431-M434 PolarHBondContact O-N 3.45Å; F431-S435 WeakPolarHBondContact O-CB 3.35Å; F431-S435 PolarHBondContact O-N 3Å |
| 432 | Q | 93.5 | Very high | 85.8 | Confident | 78 Ų | 78 | 67 Ų | 67 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -76.6 | -35.6 | 178.1 | -177.6 | 149.6 | -36 | 0 | 0 | 111.8 | E428 P429 E430 M434 S435 A436 | E428-Q432 HydrophobicContact CB-CB 4.24Å; E428-Q432 HydrophobicContact CB-CG 4.08Å; E428-Q432 VanDerWaalsContact CD-NE2 3.26Å; E428-Q432 HydrophobicContact CG-CG 4.19Å; E428-Q432 PolarHBondContact OE2-NE2 2.84Å; P429-Q432 HydrophobicContact CG-CB 3.93Å; P429-Q432 WeakPolarHBondContact O-CA 3.33Å; P429-Q432 WeakPolarHBondContact O-CB 3.4Å; P429-Q432 PolarHBondContact O-N 3.37Å; E430-Q432 VanDerWaalsContact C-N 3.28Å; E430-Q432 PolarHBondContact O-N 3.14Å; Q432-M434 VanDerWaalsContact C-N 3.3Å; Q432-M434 PolarHBondContact O-N 3.43Å; Q432-S435 WeakPolarHBondContact CA-OG 3.4Å; Q432-S435 PolarHBondContact O-N 3.39Å; Q432-S435 PolarHBondContact O-OG 3.49Å; Q432-A436 WeakPolarHBondContact O-CB 3.26Å; Q432-A436 PolarHBondContact O-N 2.99Å |
| 433 | R | 93.9 | Very high | 83.7 | Confident | 21 Ų | 21 | 74.1 Ų | 74.1 | 8% | 0.079 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.2 | -43 | 170.1 | -63.7 | -168.9 | -57.1 | 172.2 | 8 | 111.4 | E376 Y380 W425 E428 P429 E430 L437 | E376-R433 IonicContact OE1-CZ 2.7Å; E376-R433 IonicContact OE1-NH1 2.65Å; E376-R433 PolarHBondContact OE1-NH1 3.24Å; E376-R433 IonicContact OE1-NH2 3.17Å; E376-R433 PolarHBondContact OE1-NH2 3.46Å; Y380-R433 PolarHBondContact OH-NH2 3.24Å; W425-R433 HydrophobicContact CD2-CG 4.33Å; W425-R433 HydrophobicContact CZ2-CB 3.85Å; W425-R433 HydrophobicContact CZ2-CG 4.4Å; W425-R433 PolarHBondContact NE1-O 3.34Å; W425-R433 WeakPolarHBondContact O-CD 3.39Å; W425-R433 WeakPolarHBondContact O-CG 3.15Å; E428-R433 HydrophobicContact CB-CG 3.72Å; E428-R433 WeakPolarHBondContact O-CD 3.41Å; E428-R433 VanDerWaalsContact O-CG 3.29Å; E428-R433 WeakPolarHBondContact O-CG 3.46Å; P429-R433 PolarHBondContact O-N 3.24Å; E430-R433 WeakPolarHBondContact O-CB 3.49Å; E430-R433 PolarHBondContact O-N 3.46Å; R433-L437 WeakPolarHBondContact O-CG 3.44Å; R433-L437 PolarHBondContact O-N 2.72Å |
| 434 | M | 92.4 | Very high | 81.7 | Confident | 53 Ų | 53 | 78.7 Ų | 78.7 | 26% | 0.261 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -72 | -35.7 | 179.7 | -148.3 | 63.7 | 67.5 | 0 | 0 | 112.6 | Y380 E430 F431 Q432 L437 R438 | Y380-M434 HydrophobicContact CD1-CE 4.2Å; E430-M434 WeakPolarHBondContact O-CB 3.42Å; E430-M434 PolarHBondContact O-N 3.4Å; F431-M434 PolarHBondContact O-N 3.45Å; Q432-M434 VanDerWaalsContact C-N 3.3Å; Q432-M434 PolarHBondContact O-N 3.43Å; M434-L437 PolarHBondContact O-N 3.46Å; M434-L437 HydrophobicContact SD-CD1 4.17Å; M434-R438 WeakPolarHBondContact O-CG 3.44Å; M434-R438 PolarHBondContact O-N 3.05Å |
| 435 | S | 90.7 | Very high | 79.4 | Confident | 43 Ų | 43 | 79.6 Ų | 79.6 | 30% | 0.301 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.9 | -40.7 | 175.8 | 74.2 | 0 | 0 | 0 | 0 | 112.2 | F431 Q432 L437 R438 L439 | F431-S435 WeakPolarHBondContact O-CB 3.35Å; F431-S435 PolarHBondContact O-N 3Å; Q432-S435 WeakPolarHBondContact CA-OG 3.4Å; Q432-S435 PolarHBondContact O-N 3.39Å; Q432-S435 PolarHBondContact O-OG 3.49Å; S435-L437 VanDerWaalsContact C-N 3.26Å; S435-L437 PolarHBondContact O-N 3.05Å; S435-R438 PolarHBondContact O-N 3.38Å; S435-L439 PolarHBondContact O-N 2.84Å |
| 436 | A | 90.2 | Very high | 76.9 | Confident | 35 Ų | 35 | 84.3 Ų | 84.3 | 29% | 0.289 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.9 | -35.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q432 | Q432-A436 WeakPolarHBondContact O-CB 3.26Å; Q432-A436 PolarHBondContact O-N 2.99Å |
| 437 | L | 90.6 | Very high | 74.4 | Confident | 15 Ų | 15 | 90.5 Ų | 90.5 | 8% | 0.079 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -68 | -37.9 | 174.9 | -65.3 | 170.2 | 0 | 0 | 0 | 112.1 | I382 I386 F387 R390 V391 W425 R433 M434 S435 | I382-L437 HydrophobicContact CD1-CD1 3.68Å; I382-L437 HydrophobicContact CG1-CD1 3.92Å; I382-L437 HydrophobicContact CG2-CD1 4.03Å; I382-L437 HydrophobicContact CG2-CD2 4.03Å; I386-L437 HydrophobicContact CG2-CD2 4.17Å; F387-L437 HydrophobicContact CB-CD2 4.44Å; F387-L437 HydrophobicContact CD2-CD2 4.29Å; R390-L437 WeakPolarHBondContact CG-O 3.46Å; R390-L437 PolarHBondContact NH1-O 3Å; V391-L437 HydrophobicContact CG2-CD2 4.19Å; W425-L437 HydrophobicContact CZ2-CD1 4.29Å; R433-L437 WeakPolarHBondContact O-CG 3.44Å; R433-L437 PolarHBondContact O-N 2.72Å; M434-L437 PolarHBondContact O-N 3.46Å; M434-L437 HydrophobicContact SD-CD1 4.17Å; S435-L437 VanDerWaalsContact C-N 3.26Å; S435-L437 PolarHBondContact O-N 3.05Å |
| 438 | R | 83.1 | Confident | 72.1 | Confident | 186 Ų | 186 | 91.9 Ų | 91.9 | 70% | 0.702 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -71.3 | -50 | -179.8 | -66.3 | 174.3 | -169.1 | 168.9 | 3.9 | 112.4 | R390 M434 S435 | R390-R438 PolarHBondContact NH1-O 3.26Å; M434-R438 WeakPolarHBondContact O-CG 3.44Å; M434-R438 PolarHBondContact O-N 3.05Å; S435-R438 PolarHBondContact O-N 3.38Å |
| 439 | L | 62.9 | Low | 69.9 | Low | 140 Ų | 140 | 96.3 Ų | 96.3 | 73% | 0.733 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -84.4 | -27.8 | -162.7 | -68.4 | 170.5 | 0 | 0 | 0 | 115.2 | S435 A441 | S435-L439 PolarHBondContact O-N 2.84Å; L439-A441 PolarHBondContact O-N 3.36Å |
| 440 | A | 56 | Low | 67.6 | Low | 37 Ų | 37 | 101.5 Ų | 101.5 | 31% | 0.306 | 49% | 0.491 | S | S | . | . | trans | -79.9 | 44.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R390 C442 | R390-A440 HydrophobicContact CB-CB 3.99Å; R390-A440 VanDerWaalsContact CD-C 3.43Å; R390-A440 WeakPolarHBondContact CD-O 3.21Å; R390-A440 WeakPolarHBondContact O-CB 3.48Å; A440-C442 PolarHBondContact O-N 3.29Å | ||
| 441 | A | 51.1 | Low | 65.2 | Low | 72 Ų | 72 | 103.5 Ų | 103.5 | 60% | 0.595 | 50% | 0.501 | S | S | * | . | trans | -52.5 | 114.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | L439 K443 | L439-A441 PolarHBondContact O-N 3.36Å; A441-K443 PolarHBondContact O-N 3.46Å | ||
| 442 | C | 50 | Low | 62.3 | Low | 37 Ų | 37 | 99 Ų | 99 | 25% | 0.25 | 50% | 0.497 | C | S | . | . | trans | -63.8 | 114.3 | -159.3 | -60 | 0 | 0 | 0 | 0 | 112.9 | Q389 A440 R444 K445 | Q389-C442 PolarHBondContact O-SG 3.09Å; A440-C442 PolarHBondContact O-N 3.29Å; C442-R444 HydrophobicContact CB-CB 4.47Å; C442-R444 PolarHBondContact O-N 3.22Å; C442-K445 PolarHBondContact O-N 2.78Å | ||
| 443 | K | 53.5 | Low | 59.7 | Low | 149 Ų | 149 | 104.4 Ų | 104.4 | 65% | 0.648 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -55.7 | -7.5 | 171.2 | -155.7 | 177.3 | -179.7 | -177.7 | 0 | 114.9 | A441 K445 E446 | A441-K443 PolarHBondContact O-N 3.46Å; K443-K445 PolarHBondContact O-N 2.86Å; K443-E446 WeakPolarHBondContact CE-OE2 3.44Å; K443-E446 HydrophobicContact CG-CB 4.3Å; K443-E446 WeakPolarHBondContact CG-OE2 3.47Å; K443-E446 WeakPolarHBondContact O-CB 3.42Å; K443-E446 PolarHBondContact O-N 2.82Å |
| 444 | R | 54.5 | Low | 57.8 | Low | 126 Ų | 126 | 110.3 Ų | 110.3 | 48% | 0.475 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -61.6 | -4.2 | 173.9 | -79 | -170.5 | -67.6 | 133.6 | 0.5 | 115.7 | C442 | C442-R444 HydrophobicContact CB-CB 4.47Å; C442-R444 PolarHBondContact O-N 3.22Å |
| 445 | K | 47 | Very low | 55.8 | Low | 152 Ų | 152 | 114.9 Ų | 114.9 | 66% | 0.661 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -87.2 | -17.9 | 169 | -148.1 | -177.3 | 179.8 | -170.1 | 0 | 113 | C442 K443 Q449 | C442-K445 PolarHBondContact O-N 2.78Å; K443-K445 PolarHBondContact O-N 2.86Å; K445-Q449 VanDerWaalsContact O-CG 3.26Å; K445-Q449 WeakPolarHBondContact O-CG 3.49Å; K445-Q449 PolarHBondContact O-OE1 2.78Å |
| 446 | E | 42.8 | Very low | 54.3 | Low | 106 Ų | 106 | 118.7 Ų | 118.7 | 50% | 0.495 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.6 | -46.4 | -172.1 | -155.7 | 173.7 | 169.7 | 0 | 0 | 111.9 | K443 Q448 Q449 | K443-E446 WeakPolarHBondContact CE-OE2 3.44Å; K443-E446 HydrophobicContact CG-CB 4.3Å; K443-E446 WeakPolarHBondContact CG-OE2 3.47Å; K443-E446 WeakPolarHBondContact O-CB 3.42Å; K443-E446 PolarHBondContact O-N 2.82Å; E446-Q448 PolarHBondContact O-N 3.37Å; E446-Q449 PolarHBondContact O-N 3.02Å |
| 447 | E | 42.6 | Very low | 53 | Low | 163 Ų | 163 | 119.3 Ų | 119.3 | 76% | 0.762 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -16.4 | 177.5 | -67 | 177.9 | 133.3 | 0 | 0 | 114.1 | ||
| 448 | Q | 47.5 | Very low | 52.1 | Low | 158 Ų | 158 | 125 Ų | 125 | 74% | 0.738 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -3.5 | 173.4 | -76.8 | -171.2 | -10.2 | 0 | 0 | 114 | E446 | E446-Q448 PolarHBondContact O-N 3.37Š|
| 449 | Q | 46.5 | Very low | 51.8 | Low | 135 Ų | 135 | 125.7 Ų | 125.7 | 63% | 0.631 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -4.1 | -179.1 | -76.3 | -175.6 | -26 | 0 | 0 | 114.1 | K445 E446 | K445-Q449 VanDerWaalsContact O-CG 3.26Å; K445-Q449 WeakPolarHBondContact O-CG 3.49Å; K445-Q449 PolarHBondContact O-OE1 2.78Å; E446-Q449 PolarHBondContact O-N 3.02Å |
| 450 | Q | 45.2 | Very low | 52.8 | Low | 169 Ų | 169 | 128.2 Ų | 128.2 | 79% | 0.79 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -99.5 | 8.5 | 173.4 | -68.8 | 177.8 | 7.3 | 0 | 0 | 114 | ||
| 451 | Q | 41.5 | Very low | 54.5 | Low | 147 Ų | 147 | 132.5 Ų | 132.5 | 69% | 0.687 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -114 | 115.9 | 157.3 | -73.6 | -176.6 | -8.4 | 0 | 0 | 108.4 | H454 | Q451-H454 PolarHBondContact O-ND1 3.23Š|
| 452 | G | 32.7 | Very low | 56.4 | Low | 57 Ų | 57 | 140.3 Ų | 140.3 | 59% | 0.588 | 70% | 0.702 | S | S | * | * | trans | -71.6 | 169.2 | -163.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | H454 | G452-H454 VanDerWaalsContact C-N 3.35Å; G452-H454 PolarHBondContact O-CE1 3.37Å; G452-H454 PolarHBondContact O-N 2.59Å; G452-H454 VanDerWaalsContact O-N 3.13Å; G452-H454 PolarHBondContact O-ND1 3.27Å | ||
| 453 | M | 40.2 | Very low | 58.6 | Low | 192 Ų | 192 | 143.2 Ų | 143.2 | 95% | 0.946 | 71% | 0.714 | S | S | * | * | trans | 66.7 | 4.3 | 159.3 | -58.6 | -170.6 | 71 | 0 | 0 | 119.9 | N455 | M453-N455 PolarHBondContact O-N 3.09Š| ||
| 454 | H | 52.6 | Low | 60.6 | Low | 144 Ų | 144 | 141.5 Ų | 141.5 | 67% | 0.667 | 72% | 0.716 | S | S | * | * | trans | -75.5 | 81.4 | 173.6 | -46.9 | 117.8 | 0 | 0 | 0 | 112.8 | Q451 G452 | Q451-H454 PolarHBondContact O-ND1 3.23Å; G452-H454 VanDerWaalsContact C-N 3.35Å; G452-H454 PolarHBondContact O-CE1 3.37Å; G452-H454 PolarHBondContact O-N 2.59Å; G452-H454 VanDerWaalsContact O-N 3.13Å; G452-H454 PolarHBondContact O-ND1 3.27Å | ||
| 455 | N | 49.9 | Very low | 62.6 | Low | 150 Ų | 150 | 137.4 Ų | 137.4 | 80% | 0.802 | 70% | 0.702 | S | S | * | * | trans | -55.3 | 130 | 166.7 | -140.9 | -6.5 | 0 | 0 | 0 | 108.6 | M453 G457 | M453-N455 PolarHBondContact O-N 3.09Å; N455-G457 VanDerWaalsContact C-N 3.26Å; N455-G457 PolarHBondContact O-N 2.9Å | ||
| 456 | P | 60.3 | Low | 65 | Low | 122 Ų | 122 | 133.4 Ų | 133.4 | 79% | 0.792 | 69% | 0.69 | S | S | * | * | trans | -75.1 | 79.4 | -174.9 | 30.7 | -35.4 | 0 | 0 | 0 | 110.7 | ||||
| 457 | G | 61.9 | Low | 67.6 | Low | 49 Ų | 49 | 133.3 Ų | 133.3 | 51% | 0.505 | 69% | 0.693 | S | S | . | * | P | Polyproline II helix | trans | -55.8 | 155.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N455 K459 | N455-G457 VanDerWaalsContact C-N 3.26Å; N455-G457 PolarHBondContact O-N 2.9Å; G457-K459 PolarHBondContact O-N 3.13Å; G457-K459 VanDerWaalsContact O-N 3.14Å |
| 458 | P | 71.9 | Confident | 70.1 | Confident | 133 Ų | 133 | 129.5 Ų | 129.5 | 86% | 0.864 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 122.5 | -176.2 | 21.9 | -32.9 | 0 | 0 | 0 | 110.6 | K460 | P458-K460 PolarHBondContact O-N 2.99Š|
| 459 | K | 77.2 | Confident | 72.5 | Confident | 201 Ų | 201 | 123.2 Ų | 123.2 | 87% | 0.874 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 124 | -178.9 | -69.7 | 172 | -176.7 | 164 | 0 | 108.7 | G457 | G457-K459 PolarHBondContact O-N 3.13Å; G457-K459 VanDerWaalsContact O-N 3.14Å |
| 460 | K | 84.7 | Confident | 74.9 | Confident | 194 Ų | 194 | 121.2 Ų | 121.2 | 84% | 0.843 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -46.4 | 126.5 | 176 | -61.4 | 179.7 | -179.3 | -175.9 | 0 | 109.7 | P458 | P458-K460 PolarHBondContact O-N 2.99Š|
| 461 | P | 91.2 | Very high | 77.4 | Confident | 127 Ų | 127 | 119.5 Ų | 119.5 | 83% | 0.825 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 144.2 | 178.7 | 25.2 | -33.6 | 0 | 0 | 0 | 109.7 | ||
| 462 | R | 92 | Very high | 80 | Confident | 236 Ų | 236 | 112.9 Ų | 112.9 | 89% | 0.891 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 129.8 | 178 | -69.1 | -175.9 | 178.6 | -179.5 | 0.9 | 109.3 | V464 | R462-V464 PolarHBondContact O-N 3.1Š|
| 463 | L | 95.1 | Very high | 83.1 | Confident | 97 Ų | 97 | 110.1 Ų | 110.1 | 51% | 0.508 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 131.3 | 168.7 | -174.8 | 151.8 | 0 | 0 | 0 | 109.8 | F465 L497 T501 | L463-F465 HydrophobicContact CD2-CD1 3.89Å; L463-F465 HydrophobicContact CD2-CE1 3.84Å; L463-F465 HydrophobicContact CD2-CG 4.37Å; L463-F465 HydrophobicContact CD2-CZ 4.3Å; L463-L497 HydrophobicContact CD1-CD2 4.39Å; L463-T501 HydrophobicContact CD1-CG2 4.25Å; L463-T501 HydrophobicContact CD2-CG2 4.17Å |
| 464 | V | 96 | Very high | 85.7 | Confident | 113 Ų | 113 | 104.1 Ų | 104.1 | 69% | 0.685 | 53% | 0.531 | S | S | * | . | trans | -116.7 | 123.9 | 172.3 | -179.4 | 0 | 0 | 0 | 0 | 107.3 | R462 | R462-V464 PolarHBondContact O-N 3.1Š| ||
| 465 | F | 96.6 | Very high | 87.8 | Confident | 41 Ų | 41 | 98.7 Ų | 98.7 | 18% | 0.18 | 51% | 0.511 | C | S | . | . | trans | -65.7 | 134.5 | 174.2 | -64.4 | -63.7 | 0 | 0 | 0 | 110.9 | L463 Q469 R470 L473 L497 T501 F505 | L463-F465 HydrophobicContact CD2-CD1 3.89Å; L463-F465 HydrophobicContact CD2-CE1 3.84Å; L463-F465 HydrophobicContact CD2-CG 4.37Å; L463-F465 HydrophobicContact CD2-CZ 4.3Å; F465-Q469 HydrophobicContact CB-CB 4.28Å; F465-Q469 HydrophobicContact CD1-CB 4.3Å; F465-R470 HydrophobicContact CB-CB 4.4Å; F465-R470 PolarHBondContact O-NH2 3.03Å; F465-L473 HydrophobicContact CD1-CD1 4.17Å; F465-L473 HydrophobicContact CE1-CD1 3.95Å; F465-L473 HydrophobicContact CZ-CD1 4.26Å; F465-L497 HydrophobicContact CD1-CD1 4.01Å; F465-L497 HydrophobicContact CD1-CD2 4.13Å; F465-L497 HydrophobicContact CE1-CD1 3.74Å; F465-L497 HydrophobicContact CE1-CD2 4.02Å; F465-T501 HydrophobicContact CE1-CG2 3.53Å; F465-T501 HydrophobicContact CZ-CG2 3.65Å; F465-F505 AromaticContact CE2-CD2 4Å; F465-F505 HydrophobicContact CE2-CD2 4Å; F465-F505 HydrophobicContact CZ-CB 4.33Å; F465-F505 HydrophobicContact CZ-CD2 4.33Å | ||
| 466 | T | 97.5 | Very high | 90 | Very high | 68 Ų | 68 | 91.9 Ų | 91.9 | 42% | 0.417 | 48% | 0.475 | S | S | . | . | trans | -63.9 | 159.9 | 166.4 | 68.9 | 0 | 0 | 0 | 0 | 110.4 | I468 Q469 R470 | T466-I468 PolarHBondContact O-N 2.83Å; T466-I468 VanDerWaalsContact OG1-CG2 3.3Å; T466-I468 WeakPolarHBondContact OG1-CG2 3.24Å; T466-Q469 PolarHBondContact O-N 3.33Å; T466-Q469 WeakPolarHBondContact OG1-CB 3.44Å; T466-Q469 VanDerWaalsContact OG1-CG 3.23Å; T466-Q469 WeakPolarHBondContact OG1-CG 3.29Å; T466-Q469 PolarHBondContact OG1-N 2.94Å; T466-Q469 PolarHBondContact OG1-OE1 3.49Å; T466-R470 WeakPolarHBondContact O-CB 3.38Å; T466-R470 PolarHBondContact O-N 2.94Å | ||
| 467 | D | 96.8 | Very high | 91.7 | Very high | 103 Ų | 103 | 86.3 Ų | 86.3 | 55% | 0.551 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -68.7 | -23.3 | -177.3 | -61.6 | -63.5 | 0 | 0 | 0 | 113.8 | R470 R471 | D467-R470 IonicContact OD1-NE 3.74Å; D467-R471 WeakPolarHBondContact O-CB 3.36Å; D467-R471 VanDerWaalsContact O-CG 3.29Å; D467-R471 WeakPolarHBondContact O-CG 2.9Å; D467-R471 PolarHBondContact O-N 2.7Å; D467-R471 PolarHBondContact O-NE 3.31Å |
| 468 | I | 96 | Very high | 93.2 | Very high | 84 Ų | 84 | 88.9 Ų | 88.9 | 43% | 0.431 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -73.1 | -47.4 | 170.4 | -175 | 60.2 | 0 | 0 | 0 | 110.8 | T466 R470 R471 T472 | T466-I468 PolarHBondContact O-N 2.83Å; T466-I468 VanDerWaalsContact OG1-CG2 3.3Å; T466-I468 WeakPolarHBondContact OG1-CG2 3.24Å; I468-R470 VanDerWaalsContact C-N 3.33Å; I468-R470 PolarHBondContact O-N 3.3Å; I468-R471 PolarHBondContact O-N 3.2Å; I468-T472 WeakPolarHBondContact O-CB 3.23Å; I468-T472 PolarHBondContact O-N 3.1Å; I468-T472 PolarHBondContact O-OG1 3.47Å |
| 469 | Q | 97.8 | Very high | 94.2 | Very high | 25 Ų | 25 | 89 Ų | 89 | 12% | 0.117 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -57.5 | -46.5 | 175.2 | -71.7 | 169.7 | -16.9 | 0 | 0 | 111.4 | F465 T466 L473 L495 L497 | F465-Q469 HydrophobicContact CB-CB 4.28Å; F465-Q469 HydrophobicContact CD1-CB 4.3Å; T466-Q469 PolarHBondContact O-N 3.33Å; T466-Q469 WeakPolarHBondContact OG1-CB 3.44Å; T466-Q469 VanDerWaalsContact OG1-CG 3.23Å; T466-Q469 WeakPolarHBondContact OG1-CG 3.29Å; T466-Q469 PolarHBondContact OG1-N 2.94Å; T466-Q469 PolarHBondContact OG1-OE1 3.49Å; Q469-L473 VanDerWaalsContact O-CB 3.29Å; Q469-L473 WeakPolarHBondContact O-CB 3.17Å; Q469-L473 WeakPolarHBondContact O-CD1 3.31Å; Q469-L473 WeakPolarHBondContact O-CG 3.14Å; Q469-L473 PolarHBondContact O-N 3.4Å; Q469-L495 HydrophobicContact CG-CB 4.24Å; Q469-L495 HydrophobicContact CG-CD2 4.4Å; Q469-L495 PolarHBondContact NE2-O 3.46Å; Q469-L497 HydrophobicContact CB-CD1 4.42Å; Q469-L497 HydrophobicContact CG-CD1 4.23Å; Q469-L497 HydrophobicContact CG-CG 4.48Å |
| 470 | R | 96.8 | Very high | 95 | Very high | 93 Ų | 93 | 81.2 Ų | 81.2 | 35% | 0.351 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59 | -51.4 | 179.1 | -176.1 | -171.8 | -53.2 | -74.3 | -11.2 | 111.9 | F465 T466 D467 I468 Q474 | F465-R470 HydrophobicContact CB-CB 4.4Å; F465-R470 PolarHBondContact O-NH2 3.03Å; T466-R470 WeakPolarHBondContact O-CB 3.38Å; T466-R470 PolarHBondContact O-N 2.94Å; D467-R470 IonicContact OD1-NE 3.74Å; I468-R470 VanDerWaalsContact C-N 3.33Å; I468-R470 PolarHBondContact O-N 3.3Å; R470-Q474 WeakPolarHBondContact O-CB 3.07Å; R470-Q474 VanDerWaalsContact O-CG 3.24Å; R470-Q474 WeakPolarHBondContact O-CG 3.4Å; R470-Q474 PolarHBondContact O-N 3.01Å; R470-Q474 PolarHBondContact O-OE1 3.01Å |
| 471 | R | 96.4 | Very high | 95.5 | Very high | 134 Ų | 134 | 76.1 Ų | 76.1 | 51% | 0.506 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.9 | -44.3 | -178.5 | -77.1 | -179.6 | -75.5 | 177.5 | -5.2 | 111.7 | D467 I468 Q474 A475 | D467-R471 WeakPolarHBondContact O-CB 3.36Å; D467-R471 VanDerWaalsContact O-CG 3.29Å; D467-R471 WeakPolarHBondContact O-CG 2.9Å; D467-R471 PolarHBondContact O-N 2.7Å; D467-R471 PolarHBondContact O-NE 3.31Å; I468-R471 PolarHBondContact O-N 3.2Å; R471-Q474 PolarHBondContact O-N 3.44Å; R471-A475 WeakPolarHBondContact O-CB 3.46Å; R471-A475 PolarHBondContact O-N 3.02Å |
| 472 | T | 96.9 | Very high | 95.8 | Very high | 7 Ų | 7 | 79 Ų | 79 | 4% | 0.043 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 177.6 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | I468 Q474 A475 I476 L495 | I468-T472 WeakPolarHBondContact O-CB 3.23Å; I468-T472 PolarHBondContact O-N 3.1Å; I468-T472 PolarHBondContact O-OG1 3.47Å; T472-Q474 VanDerWaalsContact C-N 3.3Å; T472-Q474 PolarHBondContact O-N 3.32Å; T472-A475 PolarHBondContact O-N 3.5Å; T472-I476 HydrophobicContact CG2-CD1 3.8Å; T472-I476 WeakPolarHBondContact O-CD1 3.3Å; T472-I476 VanDerWaalsContact O-CG1 3.31Å; T472-I476 WeakPolarHBondContact O-CG1 3.46Å; T472-I476 PolarHBondContact O-N 3.12Å; T472-L495 HydrophobicContact CG2-CD1 4.4Å; T472-L495 HydrophobicContact CG2-CD2 3.98Å |
| 473 | L | 97 | Very high | 96 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.3 | -35.6 | 175.9 | -72.9 | 170.1 | 0 | 0 | 0 | 112.7 | F465 Q469 F477 I491 L495 L497 V502 F505 F506 | F465-L473 HydrophobicContact CD1-CD1 4.17Å; F465-L473 HydrophobicContact CE1-CD1 3.95Å; F465-L473 HydrophobicContact CZ-CD1 4.26Å; Q469-L473 VanDerWaalsContact O-CB 3.29Å; Q469-L473 WeakPolarHBondContact O-CB 3.17Å; Q469-L473 WeakPolarHBondContact O-CD1 3.31Å; Q469-L473 WeakPolarHBondContact O-CG 3.14Å; Q469-L473 PolarHBondContact O-N 3.4Å; L473-F477 WeakPolarHBondContact O-CB 3.26Å; L473-F477 PolarHBondContact O-N 3.1Å; L473-F477 VanDerWaalsContact O-N 3.11Å; L473-I491 HydrophobicContact CD2-CG2 3.67Å; L473-L495 HydrophobicContact CD1-CD1 4.27Å; L473-L495 HydrophobicContact CD2-CD1 3.78Å; L473-L495 HydrophobicContact CG-CD1 3.62Å; L473-L497 HydrophobicContact CD1-CD1 4.08Å; L473-V502 HydrophobicContact CD2-CG1 4.25Å; L473-F505 HydrophobicContact CB-CD1 3.96Å; L473-F505 HydrophobicContact CB-CD2 4.28Å; L473-F505 HydrophobicContact CB-CE1 3.58Å; L473-F505 HydrophobicContact CB-CE2 3.89Å; L473-F505 HydrophobicContact CB-CG 4.31Å; L473-F505 HydrophobicContact CB-CZ 3.52Å; L473-F505 HydrophobicContact CD1-CB 4.46Å; L473-F505 HydrophobicContact CD1-CD1 4.41Å; L473-F505 HydrophobicContact CD1-CD2 3.94Å; L473-F505 HydrophobicContact CD1-CE2 4.27Å; L473-F505 HydrophobicContact CD1-CG 4.02Å; L473-F505 HydrophobicContact CD2-CD1 4.24Å; L473-F505 HydrophobicContact CG-CD1 4.44Å; L473-F505 WeakPolarHBondContact O-CE1 3.26Å; L473-F506 HydrophobicContact CD2-CE2 3.94Å |
| 474 | Q | 95.6 | Very high | 96.1 | Very high | 65 Ų | 65 | 66.4 Ų | 66.4 | 30% | 0.304 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.4 | -42.8 | 174.3 | -77.1 | 172.3 | -38.1 | 0 | 0 | 112.3 | R470 R471 T472 F477 K478 F505 W517 | R470-Q474 WeakPolarHBondContact O-CB 3.07Å; R470-Q474 VanDerWaalsContact O-CG 3.24Å; R470-Q474 WeakPolarHBondContact O-CG 3.4Å; R470-Q474 PolarHBondContact O-N 3.01Å; R470-Q474 PolarHBondContact O-OE1 3.01Å; R471-Q474 PolarHBondContact O-N 3.44Å; T472-Q474 VanDerWaalsContact C-N 3.3Å; T472-Q474 PolarHBondContact O-N 3.32Å; Q474-F477 PolarHBondContact O-N 2.98Å; Q474-K478 PolarHBondContact O-N 3.34Å; Q474-F505 HydrophobicContact CG-CZ 4.25Å; Q474-W517 HydrophobicContact CB-CZ3 4.3Å; Q474-W517 HydrophobicContact CG-CE3 4.25Å; Q474-W517 HydrophobicContact CG-CH2 4.28Å; Q474-W517 HydrophobicContact CG-CZ3 3.93Å |
| 475 | A | 95.6 | Very high | 96.1 | Very high | 30 Ų | 30 | 67.6 Ų | 67.6 | 25% | 0.248 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.9 | -49.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | I5 R471 T472 F477 K478 E479 | I5-A475 HydrophobicContact CD1-CB 4.04Å; R471-A475 WeakPolarHBondContact O-CB 3.46Å; R471-A475 PolarHBondContact O-N 3.02Å; T472-A475 PolarHBondContact O-N 3.5Å; A475-F477 PolarHBondContact O-N 3.37Å; A475-K478 WeakPolarHBondContact O-CA 3.47Å; A475-K478 WeakPolarHBondContact O-CB 3.45Å; A475-K478 PolarHBondContact O-N 3.03Å; A475-E479 PolarHBondContact O-N 3.3Å |
| 476 | I | 95.9 | Very high | 96.1 | Very high | 7 Ų | 7 | 72.8 Ų | 72.8 | 4% | 0.036 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.3 | -35.3 | 177.3 | -61.3 | 156.7 | 0 | 0 | 0 | 111.3 | I8 T472 E479 T480 M487 I491 F506 | I8-I476 HydrophobicContact CD1-CD1 4.12Å; T472-I476 HydrophobicContact CG2-CD1 3.8Å; T472-I476 WeakPolarHBondContact O-CD1 3.3Å; T472-I476 VanDerWaalsContact O-CG1 3.31Å; T472-I476 WeakPolarHBondContact O-CG1 3.46Å; T472-I476 PolarHBondContact O-N 3.12Å; I476-E479 PolarHBondContact O-N 3.49Å; I476-T480 HydrophobicContact CG2-CG2 3.87Å; I476-T480 WeakPolarHBondContact O-CG2 3.29Å; I476-T480 PolarHBondContact O-N 3.32Å; I476-M487 HydrophobicContact CG2-CE 3.99Å; I476-I491 HydrophobicContact CD1-CD1 4.03Å; I476-I491 HydrophobicContact CD1-CG1 3.88Å; I476-I491 HydrophobicContact CD1-CG2 4.12Å; I476-I491 HydrophobicContact CG2-CD1 3.84Å; I476-F506 HydrophobicContact CB-CZ 4.23Å; I476-F506 HydrophobicContact CG2-CE1 4.35Å; I476-F506 HydrophobicContact CG2-CZ 3.82Å |
| 477 | F | 96 | Very high | 96.1 | Very high | 5 Ų | 5 | 70.4 Ų | 70.4 | 2% | 0.022 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -75.2 | -18.8 | 174 | -177.4 | -89.5 | 0 | 0 | 0 | 113.9 | L473 Q474 A475 T480 K481 F505 F506 A509 R510 W517 | L473-F477 WeakPolarHBondContact O-CB 3.26Å; L473-F477 PolarHBondContact O-N 3.1Å; L473-F477 VanDerWaalsContact O-N 3.11Å; Q474-F477 PolarHBondContact O-N 2.98Å; A475-F477 PolarHBondContact O-N 3.37Å; F477-T480 WeakPolarHBondContact CA-O 3.2Å; F477-K481 HydrophobicContact CD1-CD 4.24Å; F477-K481 HydrophobicContact CD2-CD 4.4Å; F477-K481 HydrophobicContact CE1-CD 3.98Å; F477-K481 HydrophobicContact CE2-CB 4.25Å; F477-K481 HydrophobicContact CE2-CD 4.13Å; F477-K481 HydrophobicContact CG-CD 4.47Å; F477-K481 HydrophobicContact CZ-CD 3.92Å; F477-K481 WeakPolarHBondContact O-CD 3.16Å; F477-K481 PolarHBondContact O-NZ 3.47Å; F477-F505 HydrophobicContact CB-CE1 4.42Å; F477-F506 HydrophobicContact CB-CD1 4.45Å; F477-F506 HydrophobicContact CB-CE1 3.85Å; F477-F506 AromaticContact CD2-CD1 3.7Å; F477-F506 HydrophobicContact CD2-CD1 3.7Å; F477-F506 AromaticContact CD2-CE1 3.93Å; F477-F506 HydrophobicContact CD2-CE1 3.93Å; F477-F506 HydrophobicContact CG-CE1 4.42Å; F477-A509 HydrophobicContact CD1-CB 4.34Å; F477-A509 HydrophobicContact CD2-CB 3.66Å; F477-A509 HydrophobicContact CE1-CB 4.11Å; F477-A509 HydrophobicContact CE2-CB 3.4Å; F477-A509 VanDerWaalsContact CE2-CB 3.4Å; F477-A509 HydrophobicContact CG-CB 4.13Å; F477-A509 HydrophobicContact CZ-CB 3.63Å; F477-R510 HydrophobicContact CE2-CG 3.89Å; F477-R510 HydrophobicContact CZ-CG 4.33Å; F477-W517 HydrophobicContact CB-CH2 4.27Å; F477-W517 HydrophobicContact CB-CZ3 3.7Å; F477-W517 HydrophobicContact CD1-CD2 4.48Å; F477-W517 AromaticContact CD1-CE3 3.49Å; F477-W517 HydrophobicContact CD1-CE3 3.49Å; F477-W517 VanDerWaalsContact CD1-CE3 3.49Å; F477-W517 AromaticContact CD1-CH2 3.77Å; F477-W517 HydrophobicContact CD1-CH2 3.77Å; F477-W517 AromaticContact CD1-CZ3 3.09Å; F477-W517 HydrophobicContact CD1-CZ3 3.09Å; F477-W517 AromaticContact CE1-CE3 3.98Å; F477-W517 HydrophobicContact CE1-CE3 3.98Å; F477-W517 HydrophobicContact CE1-CH2 4.24Å; F477-W517 AromaticContact CE1-CZ3 3.83Å; F477-W517 HydrophobicContact CE1-CZ3 3.83Å; F477-W517 HydrophobicContact CG-CE3 4.36Å; F477-W517 AromaticContact CG-CH2 3.97Å; F477-W517 HydrophobicContact CG-CH2 3.97Å; F477-W517 AromaticContact CG-CZ3 3.54Å; F477-W517 HydrophobicContact CG-CZ3 3.54Å |
| 478 | K | 94.2 | Very high | 96.2 | Very high | 104 Ų | 104 | 66.9 Ų | 66.9 | 45% | 0.452 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 167.1 | -73.5 | 178.7 | 176.8 | -176.7 | 0 | 108.6 | Q474 A475 K481 D521 | Q474-K478 PolarHBondContact O-N 3.34Å; A475-K478 WeakPolarHBondContact O-CA 3.47Å; A475-K478 WeakPolarHBondContact O-CB 3.45Å; A475-K478 PolarHBondContact O-N 3.03Å; K478-K481 PolarHBondContact O-NZ 3.13Å; K478-D521 IonicContact NZ-OD2 2.67Å; K478-D521 PolarHBondContact NZ-OD2 3.08Å |
| 479 | E | 93.9 | Very high | 96.3 | Very high | 136 Ų | 136 | 65.1 Ų | 65.1 | 64% | 0.636 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -70.6 | -58.3 | 176.8 | -52.4 | -41.6 | 117 | 0 | 0 | 113.9 | A475 I476 | A475-E479 PolarHBondContact O-N 3.3Å; I476-E479 PolarHBondContact O-N 3.49Å |
| 480 | T | 94.2 | Very high | 96.3 | Very high | 37 Ų | 37 | 66.7 Ų | 66.7 | 23% | 0.227 | 31% | 0.312 | C | S | . | . | trans | -123.6 | 118.8 | -176 | 179.8 | 0 | 0 | 0 | 0 | 113.7 | I476 F477 R482 P483 M487 | I476-T480 HydrophobicContact CG2-CG2 3.87Å; I476-T480 WeakPolarHBondContact O-CG2 3.29Å; I476-T480 PolarHBondContact O-N 3.32Å; F477-T480 WeakPolarHBondContact CA-O 3.2Å; T480-R482 VanDerWaalsContact C-N 3.27Å; T480-R482 PolarHBondContact O-N 3.06Å; T480-R482 PolarHBondContact OG1-N 3.27Å; T480-P483 HydrophobicContact CG2-CB 4.18Å; T480-M487 HydrophobicContact CG2-CE 3.83Å; T480-M487 HydrophobicContact CG2-SD 3.82Å | ||
| 481 | K | 94.7 | Very high | 96.3 | Very high | 87 Ų | 87 | 62.3 Ų | 62.3 | 38% | 0.378 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -75.9 | -17.4 | 177.5 | -47.8 | -45.7 | -177 | -151 | 0 | 112.6 | F477 K478 R510 | F477-K481 HydrophobicContact CD1-CD 4.24Å; F477-K481 HydrophobicContact CD2-CD 4.4Å; F477-K481 HydrophobicContact CE1-CD 3.98Å; F477-K481 HydrophobicContact CE2-CB 4.25Å; F477-K481 HydrophobicContact CE2-CD 4.13Å; F477-K481 HydrophobicContact CG-CD 4.47Å; F477-K481 HydrophobicContact CZ-CD 3.92Å; F477-K481 WeakPolarHBondContact O-CD 3.16Å; F477-K481 PolarHBondContact O-NZ 3.47Å; K478-K481 PolarHBondContact O-NZ 3.13Å; K481-R510 VanDerWaalsContact O-CD 3.28Å; K481-R510 WeakPolarHBondContact O-CD 2.94Å; K481-R510 WeakPolarHBondContact O-CG 3.48Å; K481-R510 PolarHBondContact O-NH1 3.33Å |
| 482 | R | 96.3 | Very high | 96.3 | Very high | 188 Ų | 188 | 56 Ų | 56 | 71% | 0.709 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -143.1 | 66.3 | -170.1 | -63.2 | -176.3 | 68.7 | 103 | 1 | 110.3 | T480 | T480-R482 VanDerWaalsContact C-N 3.27Å; T480-R482 PolarHBondContact O-N 3.06Å; T480-R482 PolarHBondContact OG1-N 3.27Å |
| 483 | P | 96.1 | Very high | 96.4 | Very high | 9 Ų | 9 | 62.7 Ų | 62.7 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | trans | -57.3 | 145.1 | 175.5 | 27 | -37.2 | 0 | 0 | 0 | 110.9 | T480 M487 Q488 I491 F506 | T480-P483 HydrophobicContact CG2-CB 4.18Å; P483-M487 HydrophobicContact CB-CB 4.16Å; P483-M487 HydrophobicContact CB-CG 4.15Å; P483-M487 HydrophobicContact CB-SD 3.51Å; P483-M487 VanDerWaalsContact CB-SD 3.51Å; P483-Q488 HydrophobicContact CB-CG 4.13Å; P483-Q488 HydrophobicContact CG-CG 3.84Å; P483-Q488 PolarHBondContact O-NE2 3.24Å; P483-I491 HydrophobicContact CB-CD1 4.46Å; P483-F506 HydrophobicContact CG-CB 4.44Å; P483-F506 HydrophobicContact CG-CD1 3.51Å; P483-F506 HydrophobicContact CG-CD2 3.84Å; P483-F506 HydrophobicContact CG-CE1 3.63Å; P483-F506 HydrophobicContact CG-CE2 3.95Å; P483-F506 HydrophobicContact CG-CG 3.66Å; P483-F506 HydrophobicContact CG-CZ 3.86Å | ||
| 484 | S | 97.4 | Very high | 96.3 | Very high | 59 Ų | 59 | 68 Ų | 68 | 41% | 0.413 | 33% | 0.327 | S | S | . | . | trans | -62.8 | 168.6 | 176.2 | 72.1 | 0 | 0 | 0 | 0 | 111.4 | E486 M487 Q488 | S484-E486 VanDerWaalsContact C-N 3.3Å; S484-E486 PolarHBondContact O-N 3.36Å; S484-M487 PolarHBondContact O-N 3.45Å; S484-M487 WeakPolarHBondContact OG-CB 3.46Å; S484-M487 PolarHBondContact OG-N 3.4Å; S484-Q488 VanDerWaalsContact O-CG 3.25Å; S484-Q488 WeakPolarHBondContact O-CG 3.49Å; S484-Q488 PolarHBondContact O-N 3.23Å; S484-Q488 PolarHBondContact O-NE2 3.25Å | ||
| 485 | K | 96.9 | Very high | 96.4 | Very high | 137 Ų | 137 | 65.8 Ų | 65.8 | 60% | 0.596 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.2 | -41 | 177.4 | 177.8 | 57.9 | 179.4 | 178.6 | 0 | 111.3 | Q488 V489 V499 | K485-Q488 WeakPolarHBondContact O-CB 3.43Å; K485-Q488 PolarHBondContact O-N 3.34Å; K485-V489 WeakPolarHBondContact O-CG2 3.47Å; K485-V489 PolarHBondContact O-N 3.44Å; K485-V489 VanDerWaalsContact O-N 3.14Å; K485-V499 HydrophobicContact CD-CG1 4.49Å; K485-V499 VanDerWaalsContact NZ-CG1 3.34Å |
| 486 | E | 97.2 | Very high | 96.5 | Very high | 150 Ų | 150 | 67.5 Ų | 67.5 | 70% | 0.701 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.1 | -51.3 | 174.4 | 177.9 | 174.2 | -142.5 | 0 | 0 | 111.9 | S484 Q488 V489 T490 | S484-E486 VanDerWaalsContact C-N 3.3Å; S484-E486 PolarHBondContact O-N 3.36Å; E486-Q488 PolarHBondContact O-N 3.33Å; E486-V489 WeakPolarHBondContact O-CA 3.41Å; E486-V489 VanDerWaalsContact O-CB 3.28Å; E486-V489 WeakPolarHBondContact O-CB 3.41Å; E486-V489 PolarHBondContact O-N 3.22Å; E486-T490 PolarHBondContact O-N 3.14Å; E486-T490 PolarHBondContact O-OG1 3.35Å |
| 487 | M | 97.2 | Very high | 96.5 | Very high | 18 Ų | 18 | 68.1 Ų | 68.1 | 9% | 0.089 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58 | -36.3 | 176.1 | -166.9 | -168.6 | -168 | 0 | 0 | 111.7 | I8 I476 T480 P483 S484 V489 T490 I491 | I8-M487 HydrophobicContact CG2-CE 3.73Å; I8-M487 HydrophobicContact CG2-CG 4.47Å; I476-M487 HydrophobicContact CG2-CE 3.99Å; T480-M487 HydrophobicContact CG2-CE 3.83Å; T480-M487 HydrophobicContact CG2-SD 3.82Å; P483-M487 HydrophobicContact CB-CB 4.16Å; P483-M487 HydrophobicContact CB-CG 4.15Å; P483-M487 HydrophobicContact CB-SD 3.51Å; P483-M487 VanDerWaalsContact CB-SD 3.51Å; S484-M487 PolarHBondContact O-N 3.45Å; S484-M487 WeakPolarHBondContact OG-CB 3.46Å; S484-M487 PolarHBondContact OG-N 3.4Å; M487-V489 VanDerWaalsContact C-N 3.31Å; M487-V489 PolarHBondContact O-N 3.37Å; M487-T490 PolarHBondContact O-N 3.26Å; M487-I491 HydrophobicContact CE-CD1 4.49Å; M487-I491 HydrophobicContact CG-CD1 3.92Å; M487-I491 HydrophobicContact CG-CG1 4.48Å; M487-I491 WeakPolarHBondContact O-CB 3.05Å; M487-I491 VanDerWaalsContact O-CD1 3.29Å; M487-I491 WeakPolarHBondContact O-CD1 3.28Å; M487-I491 WeakPolarHBondContact O-CG1 3.44Å; M487-I491 PolarHBondContact O-N 2.94Å; M487-I491 HydrophobicContact SD-CD1 4.44Å |
| 488 | Q | 97.7 | Very high | 96.6 | Very high | 30 Ų | 30 | 72.8 Ų | 72.8 | 14% | 0.14 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.2 | -29.1 | 172.6 | -70.4 | 167.9 | 49.9 | 0 | 0 | 113.4 | P483 S484 K485 E486 A492 V499 V502 A503 | P483-Q488 HydrophobicContact CB-CG 4.13Å; P483-Q488 HydrophobicContact CG-CG 3.84Å; P483-Q488 PolarHBondContact O-NE2 3.24Å; S484-Q488 VanDerWaalsContact O-CG 3.25Å; S484-Q488 WeakPolarHBondContact O-CG 3.49Å; S484-Q488 PolarHBondContact O-N 3.23Å; S484-Q488 PolarHBondContact O-NE2 3.25Å; K485-Q488 WeakPolarHBondContact O-CB 3.43Å; K485-Q488 PolarHBondContact O-N 3.34Å; E486-Q488 PolarHBondContact O-N 3.33Å; Q488-A492 WeakPolarHBondContact O-CB 3.46Å; Q488-A492 PolarHBondContact O-N 3.39Å; Q488-A492 VanDerWaalsContact O-N 3.08Å; Q488-V499 HydrophobicContact CB-CG1 4.16Å; Q488-V502 HydrophobicContact CB-CG1 4.24Å; Q488-V502 HydrophobicContact CG-CG1 4.21Å; Q488-A503 VanDerWaalsContact OE1-CB 3.27Å |
| 489 | V | 98.1 | Very high | 96.8 | Very high | 47 Ų | 47 | 69.7 Ų | 69.7 | 29% | 0.285 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -70.4 | -47.4 | 172.2 | 174 | 0 | 0 | 0 | 0 | 110.1 | K485 E486 M487 I491 A492 Q493 V499 | K485-V489 WeakPolarHBondContact O-CG2 3.47Å; K485-V489 PolarHBondContact O-N 3.44Å; K485-V489 VanDerWaalsContact O-N 3.14Å; E486-V489 WeakPolarHBondContact O-CA 3.41Å; E486-V489 VanDerWaalsContact O-CB 3.28Å; E486-V489 WeakPolarHBondContact O-CB 3.41Å; E486-V489 PolarHBondContact O-N 3.22Å; M487-V489 VanDerWaalsContact C-N 3.31Å; M487-V489 PolarHBondContact O-N 3.37Å; V489-I491 PolarHBondContact O-N 2.92Å; V489-A492 WeakPolarHBondContact O-CB 3.49Å; V489-A492 PolarHBondContact O-N 3.41Å; V489-A492 VanDerWaalsContact O-N 3.14Å; V489-Q493 HydrophobicContact CG1-CG 4.46Å; V489-Q493 WeakPolarHBondContact O-CG 3.42Å; V489-Q493 PolarHBondContact O-N 3.21Å; V489-V499 HydrophobicContact CG2-CG1 3.92Å; V489-V499 HydrophobicContact CG2-CG2 4.02Å |
| 490 | T | 97.5 | Very high | 96.9 | Very high | 57 Ų | 57 | 66.5 Ų | 66.5 | 35% | 0.35 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.5 | -47.8 | 176.7 | -44.5 | 0 | 0 | 0 | 0 | 111.4 | E486 M487 A492 Q493 Q494 | E486-T490 PolarHBondContact O-N 3.14Å; E486-T490 PolarHBondContact O-OG1 3.35Å; M487-T490 PolarHBondContact O-N 3.26Å; T490-A492 VanDerWaalsContact C-N 3.3Å; T490-A492 PolarHBondContact O-N 3.06Å; T490-Q493 PolarHBondContact O-N 3.11Å; T490-Q494 VanDerWaalsContact O-CB 3.27Å; T490-Q494 WeakPolarHBondContact O-CB 3.46Å; T490-Q494 PolarHBondContact O-N 3.45Å |
| 491 | I | 97.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.9 | -38.5 | 176.8 | -65.1 | 163 | 0 | 0 | 0 | 111.5 | I8 L473 I476 P483 M487 V489 L495 V502 F506 | I8-I491 HydrophobicContact CD1-CG1 4.38Å; L473-I491 HydrophobicContact CD2-CG2 3.67Å; I476-I491 HydrophobicContact CD1-CD1 4.03Å; I476-I491 HydrophobicContact CD1-CG1 3.88Å; I476-I491 HydrophobicContact CD1-CG2 4.12Å; I476-I491 HydrophobicContact CG2-CD1 3.84Å; P483-I491 HydrophobicContact CB-CD1 4.46Å; M487-I491 HydrophobicContact CE-CD1 4.49Å; M487-I491 HydrophobicContact CG-CD1 3.92Å; M487-I491 HydrophobicContact CG-CG1 4.48Å; M487-I491 WeakPolarHBondContact O-CB 3.05Å; M487-I491 VanDerWaalsContact O-CD1 3.29Å; M487-I491 WeakPolarHBondContact O-CD1 3.28Å; M487-I491 WeakPolarHBondContact O-CG1 3.44Å; M487-I491 PolarHBondContact O-N 2.94Å; M487-I491 HydrophobicContact SD-CD1 4.44Å; V489-I491 PolarHBondContact O-N 2.92Å; I491-L495 HydrophobicContact CG2-CD1 3.83Å; I491-L495 HydrophobicContact CG2-CG 4.48Å; I491-L495 VanDerWaalsContact O-CB 3.26Å; I491-L495 WeakPolarHBondContact O-CB 3.48Å; I491-L495 VanDerWaalsContact O-CG 3.32Å; I491-L495 WeakPolarHBondContact O-CG 3.44Å; I491-L495 PolarHBondContact O-N 3.4Å; I491-L495 VanDerWaalsContact O-N 3.14Å; I491-V502 HydrophobicContact CB-CG1 4.24Å; I491-V502 HydrophobicContact CG2-CG1 3.83Å; I491-V502 HydrophobicContact CG2-CG2 4.19Å; I491-F506 HydrophobicContact CD1-CE2 4.35Å; I491-F506 HydrophobicContact CD1-CZ 4.39Å |
| 492 | A | 97.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 61.7 Ų | 61.7 | 3% | 0.025 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.8 | -48.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q488 V489 T490 L495 G496 L497 V499 V502 | Q488-A492 WeakPolarHBondContact O-CB 3.46Å; Q488-A492 PolarHBondContact O-N 3.39Å; Q488-A492 VanDerWaalsContact O-N 3.08Å; V489-A492 WeakPolarHBondContact O-CB 3.49Å; V489-A492 PolarHBondContact O-N 3.41Å; V489-A492 VanDerWaalsContact O-N 3.14Å; T490-A492 VanDerWaalsContact C-N 3.3Å; T490-A492 PolarHBondContact O-N 3.06Å; A492-L495 PolarHBondContact O-N 3.1Å; A492-G496 PolarHBondContact O-N 3.09Å; A492-G496 VanDerWaalsContact O-N 3.08Å; A492-L497 CarbonylContact C-O 3.47Å; A492-L497 VanDerWaalsContact CB-O 3.28Å; A492-L497 WeakPolarHBondContact CB-O 3.49Å; A492-L497 PolarHBondContact O-N 3.07Å; A492-V499 HydrophobicContact CB-CB 4.29Å; A492-V499 HydrophobicContact CB-CG2 3.84Å; A492-V502 HydrophobicContact CB-CG2 3.86Å |
| 493 | Q | 97.4 | Very high | 97.4 | Very high | 147 Ų | 147 | 54.1 Ų | 54.1 | 69% | 0.687 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -58.7 | -52.3 | 175 | -70.6 | 170.8 | -10.8 | 0 | 0 | 111 | V489 T490 L495 G496 | V489-Q493 HydrophobicContact CG1-CG 4.46Å; V489-Q493 WeakPolarHBondContact O-CG 3.42Å; V489-Q493 PolarHBondContact O-N 3.21Å; T490-Q493 PolarHBondContact O-N 3.11Å; Q493-L495 PolarHBondContact O-N 3.26Å; Q493-L495 VanDerWaalsContact O-N 3.17Å; Q493-G496 PolarHBondContact O-N 2.89Å |
| 494 | Q | 96.3 | Very high | 97.4 | Very high | 110 Ų | 110 | 57.4 Ų | 57.4 | 51% | 0.514 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.3 | -21.5 | -175.7 | -165.2 | 63 | 12.1 | 0 | 0 | 114.1 | L4 T490 | L4-Q494 HydrophobicContact CD2-CG 3.38Å; T490-Q494 VanDerWaalsContact O-CB 3.27Å; T490-Q494 WeakPolarHBondContact O-CB 3.46Å; T490-Q494 PolarHBondContact O-N 3.45Å |
| 495 | L | 97 | Very high | 97.4 | Very high | 19 Ų | 19 | 55.8 Ų | 55.8 | 10% | 0.099 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -104.8 | -2.4 | 178.8 | -68.2 | -176.1 | 0 | 0 | 0 | 114.4 | Q469 T472 L473 I491 A492 Q493 L497 | Q469-L495 HydrophobicContact CG-CB 4.24Å; Q469-L495 HydrophobicContact CG-CD2 4.4Å; Q469-L495 PolarHBondContact NE2-O 3.46Å; T472-L495 HydrophobicContact CG2-CD1 4.4Å; T472-L495 HydrophobicContact CG2-CD2 3.98Å; L473-L495 HydrophobicContact CD1-CD1 4.27Å; L473-L495 HydrophobicContact CD2-CD1 3.78Å; L473-L495 HydrophobicContact CG-CD1 3.62Å; I491-L495 HydrophobicContact CG2-CD1 3.83Å; I491-L495 HydrophobicContact CG2-CG 4.48Å; I491-L495 VanDerWaalsContact O-CB 3.26Å; I491-L495 WeakPolarHBondContact O-CB 3.48Å; I491-L495 VanDerWaalsContact O-CG 3.32Å; I491-L495 WeakPolarHBondContact O-CG 3.44Å; I491-L495 PolarHBondContact O-N 3.4Å; I491-L495 VanDerWaalsContact O-N 3.14Å; A492-L495 PolarHBondContact O-N 3.1Å; Q493-L495 PolarHBondContact O-N 3.26Å; Q493-L495 VanDerWaalsContact O-N 3.17Å; L495-L497 HydrophobicContact CB-CD1 3.82Å; L495-L497 HydrophobicContact CB-CG 4.04Å; L495-L497 HydrophobicContact CD1-CD1 4.13Å |
| 496 | G | 96.8 | Very high | 97.5 | Very high | 67 Ų | 67 | 49.3 Ų | 49.3 | 69% | 0.691 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 44 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A492 Q493 | A492-G496 PolarHBondContact O-N 3.09Å; A492-G496 VanDerWaalsContact O-N 3.08Å; Q493-G496 PolarHBondContact O-N 2.89Å |
| 497 | L | 97.3 | Very high | 97.4 | Very high | 20 Ų | 20 | 47 Ų | 47 | 11% | 0.105 | 27% | 0.27 | C | S | . | . | trans | -125.6 | 156.7 | -177 | -69.5 | 173.9 | 0 | 0 | 0 | 111.1 | L463 F465 Q469 L473 A492 L495 T501 V502 | L463-L497 HydrophobicContact CD1-CD2 4.39Å; F465-L497 HydrophobicContact CD1-CD1 4.01Å; F465-L497 HydrophobicContact CD1-CD2 4.13Å; F465-L497 HydrophobicContact CE1-CD1 3.74Å; F465-L497 HydrophobicContact CE1-CD2 4.02Å; Q469-L497 HydrophobicContact CB-CD1 4.42Å; Q469-L497 HydrophobicContact CG-CD1 4.23Å; Q469-L497 HydrophobicContact CG-CG 4.48Å; L473-L497 HydrophobicContact CD1-CD1 4.08Å; A492-L497 CarbonylContact C-O 3.47Å; A492-L497 VanDerWaalsContact CB-O 3.28Å; A492-L497 WeakPolarHBondContact CB-O 3.49Å; A492-L497 PolarHBondContact O-N 3.07Å; L495-L497 HydrophobicContact CB-CD1 3.82Å; L495-L497 HydrophobicContact CB-CG 4.04Å; L495-L497 HydrophobicContact CD1-CD1 4.13Å; L497-T501 HydrophobicContact CD2-CG2 4.25Å; L497-V502 HydrophobicContact CB-CG2 4.15Å; L497-V502 HydrophobicContact CD1-CG2 4.32Å | ||
| 498 | D | 97.2 | Very high | 97.3 | Very high | 103 Ų | 103 | 48.9 Ų | 48.9 | 55% | 0.551 | 28% | 0.28 | S | S | * | . | trans | -67 | 142.9 | 167.3 | -65.3 | -65.7 | 0 | 0 | 0 | 111.9 | S500 T501 V502 | D498-S500 WeakPolarHBondContact CB-OG 3.4Å; D498-S500 PolarHBondContact O-N 3.35Å; D498-T501 WeakPolarHBondContact O-CA 3.46Å; D498-T501 WeakPolarHBondContact O-CB 3.43Å; D498-T501 PolarHBondContact O-N 3.06Å; D498-V502 PolarHBondContact O-N 3.38Å | ||
| 499 | V | 97.7 | Very high | 97.2 | Very high | 38 Ų | 38 | 47.5 Ų | 47.5 | 23% | 0.23 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.6 | -32.7 | 170.7 | -165.4 | 0 | 0 | 0 | 0 | 111.5 | K485 Q488 V489 A492 A503 | K485-V499 HydrophobicContact CD-CG1 4.49Å; K485-V499 VanDerWaalsContact NZ-CG1 3.34Å; Q488-V499 HydrophobicContact CB-CG1 4.16Å; V489-V499 HydrophobicContact CG2-CG1 3.92Å; V489-V499 HydrophobicContact CG2-CG2 4.02Å; A492-V499 HydrophobicContact CB-CB 4.29Å; A492-V499 HydrophobicContact CB-CG2 3.84Å; V499-A503 VanDerWaalsContact O-CB 3.31Å; V499-A503 WeakPolarHBondContact O-CB 3.38Å; V499-A503 PolarHBondContact O-N 3.43Å |
| 500 | S | 97.7 | Very high | 97.1 | Very high | 69 Ų | 69 | 49.9 Ų | 49.9 | 48% | 0.483 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.1 | -39.4 | 174.1 | 64.7 | 0 | 0 | 0 | 0 | 112 | D498 A503 N504 | D498-S500 WeakPolarHBondContact CB-OG 3.4Å; D498-S500 PolarHBondContact O-N 3.35Å; S500-A503 PolarHBondContact O-N 3.17Å; S500-N504 VanDerWaalsContact O-CB 3.26Å; S500-N504 WeakPolarHBondContact O-CB 3.38Å; S500-N504 PolarHBondContact O-N 3.21Å; S500-N504 PolarHBondContact O-ND2 3.05Å |
| 501 | T | 97.9 | Very high | 96.8 | Very high | 24 Ų | 24 | 54.3 Ų | 54.3 | 15% | 0.147 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 176.6 | -68.1 | 0 | 0 | 0 | 0 | 111.1 | L463 F465 L497 D498 N504 F505 | L463-T501 HydrophobicContact CD1-CG2 4.25Å; L463-T501 HydrophobicContact CD2-CG2 4.17Å; F465-T501 HydrophobicContact CE1-CG2 3.53Å; F465-T501 HydrophobicContact CZ-CG2 3.65Å; L497-T501 HydrophobicContact CD2-CG2 4.25Å; D498-T501 WeakPolarHBondContact O-CA 3.46Å; D498-T501 WeakPolarHBondContact O-CB 3.43Å; D498-T501 PolarHBondContact O-N 3.06Å; T501-N504 PolarHBondContact O-N 3.43Å; T501-F505 PolarHBondContact O-N 3.18Å |
| 502 | V | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.8 | -50.2 | 172.6 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | L473 Q488 I491 A492 L497 D498 N504 F505 F506 | L473-V502 HydrophobicContact CD2-CG1 4.25Å; Q488-V502 HydrophobicContact CB-CG1 4.24Å; Q488-V502 HydrophobicContact CG-CG1 4.21Å; I491-V502 HydrophobicContact CB-CG1 4.24Å; I491-V502 HydrophobicContact CG2-CG1 3.83Å; I491-V502 HydrophobicContact CG2-CG2 4.19Å; A492-V502 HydrophobicContact CB-CG2 3.86Å; L497-V502 HydrophobicContact CB-CG2 4.15Å; L497-V502 HydrophobicContact CD1-CG2 4.32Å; D498-V502 PolarHBondContact O-N 3.38Å; V502-N504 VanDerWaalsContact C-N 3.27Å; V502-N504 PolarHBondContact O-N 3.49Å; V502-F505 WeakPolarHBondContact O-CB 3.44Å; V502-F505 PolarHBondContact O-N 3.14Å; V502-F506 HydrophobicContact CG1-CD2 3.83Å; V502-F506 HydrophobicContact CG1-CE2 3.78Å; V502-F506 WeakPolarHBondContact O-CD2 3.45Å; V502-F506 PolarHBondContact O-N 3.24Å |
| 503 | A | 98 | Very high | 95.3 | Very high | 28 Ų | 28 | 60.4 Ų | 60.4 | 23% | 0.231 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55 | -42.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q488 V499 S500 F506 M507 | Q488-A503 VanDerWaalsContact OE1-CB 3.27Å; V499-A503 VanDerWaalsContact O-CB 3.31Å; V499-A503 WeakPolarHBondContact O-CB 3.38Å; V499-A503 PolarHBondContact O-N 3.43Å; S500-A503 PolarHBondContact O-N 3.17Å; A503-F506 PolarHBondContact O-N 3.08Å; A503-M507 WeakPolarHBondContact O-CB 3.42Å; A503-M507 PolarHBondContact O-N 3.16Å |
| 504 | N | 97.5 | Very high | 93.4 | Very high | 78 Ų | 78 | 56.1 Ų | 56.1 | 42% | 0.417 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.1 | -36.2 | 176.2 | -79.7 | -42.5 | 0 | 0 | 0 | 113 | S500 T501 V502 N508 | S500-N504 VanDerWaalsContact O-CB 3.26Å; S500-N504 WeakPolarHBondContact O-CB 3.38Å; S500-N504 PolarHBondContact O-N 3.21Å; S500-N504 PolarHBondContact O-ND2 3.05Å; T501-N504 PolarHBondContact O-N 3.43Å; V502-N504 VanDerWaalsContact C-N 3.27Å; V502-N504 PolarHBondContact O-N 3.49Å; N504-N508 WeakPolarHBondContact O-CB 3.37Å; N504-N508 PolarHBondContact O-N 3.35Å; N504-N508 PolarHBondContact O-ND2 3.25Å |
| 505 | F | 97.8 | Very high | 91.5 | Very high | 26 Ų | 26 | 57 Ų | 57 | 11% | 0.114 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.1 | -55.5 | 171.8 | 175.4 | -86.4 | 0 | 0 | 0 | 110.5 | F465 L473 Q474 F477 T501 V502 M507 N508 A509 W517 | F465-F505 AromaticContact CE2-CD2 4Å; F465-F505 HydrophobicContact CE2-CD2 4Å; F465-F505 HydrophobicContact CZ-CB 4.33Å; F465-F505 HydrophobicContact CZ-CD2 4.33Å; L473-F505 HydrophobicContact CB-CD1 3.96Å; L473-F505 HydrophobicContact CB-CD2 4.28Å; L473-F505 HydrophobicContact CB-CE1 3.58Å; L473-F505 HydrophobicContact CB-CE2 3.89Å; L473-F505 HydrophobicContact CB-CG 4.31Å; L473-F505 HydrophobicContact CB-CZ 3.52Å; L473-F505 HydrophobicContact CD1-CB 4.46Å; L473-F505 HydrophobicContact CD1-CD1 4.41Å; L473-F505 HydrophobicContact CD1-CD2 3.94Å; L473-F505 HydrophobicContact CD1-CE2 4.27Å; L473-F505 HydrophobicContact CD1-CG 4.02Å; L473-F505 HydrophobicContact CD2-CD1 4.24Å; L473-F505 HydrophobicContact CG-CD1 4.44Å; L473-F505 WeakPolarHBondContact O-CE1 3.26Å; Q474-F505 HydrophobicContact CG-CZ 4.25Å; F477-F505 HydrophobicContact CB-CE1 4.42Å; T501-F505 PolarHBondContact O-N 3.18Å; V502-F505 WeakPolarHBondContact O-CB 3.44Å; V502-F505 PolarHBondContact O-N 3.14Å; F505-M507 VanDerWaalsContact C-N 3.31Å; F505-M507 PolarHBondContact O-N 3.12Å; F505-N508 PolarHBondContact O-N 3.01Å; F505-N508 VanDerWaalsContact O-N 3.08Å; F505-A509 HydrophobicContact CE1-CB 4.37Å; F505-A509 WeakPolarHBondContact O-CB 3.47Å; F505-A509 PolarHBondContact O-N 3.48Å; F505-W517 AromaticContact CE1-CH2 3.75Å; F505-W517 HydrophobicContact CE1-CH2 3.75Å; F505-W517 HydrophobicContact CE1-CZ3 4.47Å; F505-W517 HydrophobicContact CE2-CH2 4.28Å; F505-W517 AromaticContact CZ-CH2 3.39Å; F505-W517 HydrophobicContact CZ-CH2 3.39Å; F505-W517 HydrophobicContact CZ-CZ2 4.16Å; F505-W517 HydrophobicContact CZ-CZ3 4.17Å |
| 506 | F | 97.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 0% | 0.004 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.3 | -36 | -178.2 | -79.7 | -87.5 | 0 | 0 | 0 | 112.5 | L473 I476 F477 P483 I491 V502 A503 R510 | L473-F506 HydrophobicContact CD2-CE2 3.94Å; I476-F506 HydrophobicContact CB-CZ 4.23Å; I476-F506 HydrophobicContact CG2-CE1 4.35Å; I476-F506 HydrophobicContact CG2-CZ 3.82Å; F477-F506 HydrophobicContact CB-CD1 4.45Å; F477-F506 HydrophobicContact CB-CE1 3.85Å; F477-F506 AromaticContact CD2-CD1 3.7Å; F477-F506 HydrophobicContact CD2-CD1 3.7Å; F477-F506 AromaticContact CD2-CE1 3.93Å; F477-F506 HydrophobicContact CD2-CE1 3.93Å; F477-F506 HydrophobicContact CG-CE1 4.42Å; P483-F506 HydrophobicContact CG-CB 4.44Å; P483-F506 HydrophobicContact CG-CD1 3.51Å; P483-F506 HydrophobicContact CG-CD2 3.84Å; P483-F506 HydrophobicContact CG-CE1 3.63Å; P483-F506 HydrophobicContact CG-CE2 3.95Å; P483-F506 HydrophobicContact CG-CG 3.66Å; P483-F506 HydrophobicContact CG-CZ 3.86Å; I491-F506 HydrophobicContact CD1-CE2 4.35Å; I491-F506 HydrophobicContact CD1-CZ 4.39Å; V502-F506 HydrophobicContact CG1-CD2 3.83Å; V502-F506 HydrophobicContact CG1-CE2 3.78Å; V502-F506 WeakPolarHBondContact O-CD2 3.45Å; V502-F506 PolarHBondContact O-N 3.24Å; A503-F506 PolarHBondContact O-N 3.08Å; F506-R510 WeakPolarHBondContact O-CG 3.44Å; F506-R510 PolarHBondContact O-N 3.34Å; F506-R510 VanDerWaalsContact O-N 3.12Å; F506-R510 PolarHBondContact O-NH1 3.01Å |
| 507 | M | 95.7 | Very high | 87.7 | Confident | 102 Ų | 102 | 59.6 Ų | 59.6 | 50% | 0.502 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.5 | -47.8 | 171.5 | -171.2 | -161 | -58.3 | 0 | 0 | 111.7 | A503 F505 R511 | A503-M507 WeakPolarHBondContact O-CB 3.42Å; A503-M507 PolarHBondContact O-N 3.16Å; F505-M507 VanDerWaalsContact C-N 3.31Å; F505-M507 PolarHBondContact O-N 3.12Å; M507-R511 WeakPolarHBondContact O-CB 3.49Å; M507-R511 PolarHBondContact O-N 3.4Å |
| 508 | N | 95.7 | Very high | 85.4 | Confident | 56 Ų | 56 | 66.5 Ų | 66.5 | 30% | 0.299 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -71.3 | -34.8 | -179.5 | -83.1 | -72.4 | 0 | 0 | 0 | 113.2 | N504 F505 R511 R512 | N504-N508 WeakPolarHBondContact O-CB 3.37Å; N504-N508 PolarHBondContact O-N 3.35Å; N504-N508 PolarHBondContact O-ND2 3.25Å; F505-N508 PolarHBondContact O-N 3.01Å; F505-N508 VanDerWaalsContact O-N 3.08Å; N508-R511 PolarHBondContact O-N 3.29Å; N508-R511 PolarHBondContact OD1-NE 2.89Å; N508-R511 PolarHBondContact OD1-NH2 2.94Å; N508-R512 WeakPolarHBondContact O-CB 3.48Å; N508-R512 VanDerWaalsContact O-CG 3.24Å; N508-R512 WeakPolarHBondContact O-CG 3.42Å; N508-R512 PolarHBondContact O-N 3.48Å |
| 509 | A | 95.8 | Very high | 83 | Confident | 2 Ų | 2 | 67 Ų | 67 | 2% | 0.017 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60 | -54.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | F477 F505 R511 R512 G513 W517 | F477-A509 HydrophobicContact CD1-CB 4.34Å; F477-A509 HydrophobicContact CD2-CB 3.66Å; F477-A509 HydrophobicContact CE1-CB 4.11Å; F477-A509 HydrophobicContact CE2-CB 3.4Å; F477-A509 VanDerWaalsContact CE2-CB 3.4Å; F477-A509 HydrophobicContact CG-CB 4.13Å; F477-A509 HydrophobicContact CZ-CB 3.63Å; F505-A509 HydrophobicContact CE1-CB 4.37Å; F505-A509 WeakPolarHBondContact O-CB 3.47Å; F505-A509 PolarHBondContact O-N 3.48Å; A509-R511 VanDerWaalsContact C-N 3.31Å; A509-R511 PolarHBondContact O-N 3.06Å; A509-R512 PolarHBondContact O-N 3.18Å; A509-R512 VanDerWaalsContact O-N 3.12Å; A509-G513 PolarHBondContact O-N 2.94Å; A509-W517 HydrophobicContact CB-CH2 3.35Å; A509-W517 HydrophobicContact CB-CZ2 3.54Å; A509-W517 HydrophobicContact CB-CZ3 4.33Å |
| 510 | R | 95.3 | Very high | 80.5 | Confident | 96 Ų | 96 | 72 Ų | 72 | 36% | 0.362 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -56 | -44 | 173.7 | -70.9 | -167.3 | -62.9 | -84 | -0.3 | 112.4 | F477 K481 F506 R512 G513 | F477-R510 HydrophobicContact CE2-CG 3.89Å; F477-R510 HydrophobicContact CZ-CG 4.33Å; K481-R510 VanDerWaalsContact O-CD 3.28Å; K481-R510 WeakPolarHBondContact O-CD 2.94Å; K481-R510 WeakPolarHBondContact O-CG 3.48Å; K481-R510 PolarHBondContact O-NH1 3.33Å; F506-R510 WeakPolarHBondContact O-CG 3.44Å; F506-R510 PolarHBondContact O-N 3.34Å; F506-R510 VanDerWaalsContact O-N 3.12Å; F506-R510 PolarHBondContact O-NH1 3.01Å; R510-R512 VanDerWaalsContact C-N 3.27Å; R510-R512 PolarHBondContact O-N 3.41Å; R510-G513 PolarHBondContact O-N 3.35Å |
| 511 | R | 91.5 | Very high | 78.2 | Confident | 150 Ų | 150 | 74 Ų | 74 | 57% | 0.566 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64 | -28.3 | -179.9 | -173.5 | -175 | 63 | 76.5 | -7.6 | 113.4 | M507 N508 A509 | M507-R511 WeakPolarHBondContact O-CB 3.49Å; M507-R511 PolarHBondContact O-N 3.4Å; N508-R511 PolarHBondContact O-N 3.29Å; N508-R511 PolarHBondContact OD1-NE 2.89Å; N508-R511 PolarHBondContact OD1-NH2 2.94Å; A509-R511 VanDerWaalsContact C-N 3.31Å; A509-R511 PolarHBondContact O-N 3.06Å |
| 512 | R | 88.1 | Confident | 75.8 | Confident | 104 Ų | 104 | 77.8 Ų | 77.8 | 39% | 0.392 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -87.3 | -14.5 | -179.7 | -72.4 | 172.1 | -178.3 | -121 | -3.5 | 113.4 | N508 A509 R510 R516 | N508-R512 WeakPolarHBondContact O-CB 3.48Å; N508-R512 VanDerWaalsContact O-CG 3.24Å; N508-R512 WeakPolarHBondContact O-CG 3.42Å; N508-R512 PolarHBondContact O-N 3.48Å; A509-R512 PolarHBondContact O-N 3.18Å; A509-R512 VanDerWaalsContact O-N 3.12Å; R510-R512 VanDerWaalsContact C-N 3.27Å; R510-R512 PolarHBondContact O-N 3.41Å; R512-R516 PolarHBondContact O-NH1 3.44Å |
| 513 | G | 74.9 | Confident | 73 | Confident | 29 Ų | 29 | 84.3 Ų | 84.3 | 30% | 0.299 | 43% | 0.43 | S | S | . | . | trans | 81.5 | 146 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A509 R510 D515 | A509-G513 PolarHBondContact O-N 2.94Å; R510-G513 PolarHBondContact O-N 3.35Å; G513-D515 VanDerWaalsContact C-N 3.31Å | ||
| 514 | A | 57.7 | Low | 70.2 | Confident | 56 Ų | 56 | 86.3 Ų | 86.3 | 46% | 0.463 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -70.7 | -28.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | R516 W517 | A514-R516 VanDerWaalsContact C-N 3.3Å; A514-R516 PolarHBondContact O-N 2.85Å; A514-W517 PolarHBondContact O-N 3.26Å |
| 515 | D | 57 | Low | 67.5 | Low | 128 Ų | 128 | 87.7 Ų | 87.7 | 68% | 0.684 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -48.7 | -48.9 | 178.4 | -166.5 | -117.7 | 0 | 0 | 0 | 112.3 | G513 W517 K518 | G513-D515 VanDerWaalsContact C-N 3.31Å; D515-W517 PolarHBondContact O-N 3.04Å; D515-K518 WeakPolarHBondContact O-CB 3.44Å; D515-K518 PolarHBondContact O-N 3.44Å |
| 516 | R | 57.4 | Low | 64.7 | Low | 87 Ų | 87 | 97.1 Ų | 97.1 | 33% | 0.328 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -59.4 | -8.6 | 178.1 | -70.2 | -114.7 | -73.3 | -83 | 8.2 | 115.6 | N405 R512 A514 | N405-R516 WeakPolarHBondContact OD1-CD 3.35Å; N405-R516 PolarHBondContact OD1-NH1 2.99Å; R512-R516 PolarHBondContact O-NH1 3.44Å; A514-R516 VanDerWaalsContact C-N 3.3Å; A514-R516 PolarHBondContact O-N 2.85Å |
| 517 | W | 56.9 | Low | 62 | Low | 54 Ų | 54 | 103.8 Ų | 103.8 | 21% | 0.205 | 54% | 0.544 | C | S | . | . | G | 310 helix | trans | -110.1 | -3.1 | 179.1 | -67.2 | 5.9 | 0 | 0 | 0 | 113 | Q474 F477 F505 A509 A514 D515 | Q474-W517 HydrophobicContact CB-CZ3 4.3Å; Q474-W517 HydrophobicContact CG-CE3 4.25Å; Q474-W517 HydrophobicContact CG-CH2 4.28Å; Q474-W517 HydrophobicContact CG-CZ3 3.93Å; F477-W517 HydrophobicContact CB-CH2 4.27Å; F477-W517 HydrophobicContact CB-CZ3 3.7Å; F477-W517 HydrophobicContact CD1-CD2 4.48Å; F477-W517 AromaticContact CD1-CE3 3.49Å; F477-W517 HydrophobicContact CD1-CE3 3.49Å; F477-W517 VanDerWaalsContact CD1-CE3 3.49Å; F477-W517 AromaticContact CD1-CH2 3.77Å; F477-W517 HydrophobicContact CD1-CH2 3.77Å; F477-W517 AromaticContact CD1-CZ3 3.09Å; F477-W517 HydrophobicContact CD1-CZ3 3.09Å; F477-W517 AromaticContact CE1-CE3 3.98Å; F477-W517 HydrophobicContact CE1-CE3 3.98Å; F477-W517 HydrophobicContact CE1-CH2 4.24Å; F477-W517 AromaticContact CE1-CZ3 3.83Å; F477-W517 HydrophobicContact CE1-CZ3 3.83Å; F477-W517 HydrophobicContact CG-CE3 4.36Å; F477-W517 AromaticContact CG-CH2 3.97Å; F477-W517 HydrophobicContact CG-CH2 3.97Å; F477-W517 AromaticContact CG-CZ3 3.54Å; F477-W517 HydrophobicContact CG-CZ3 3.54Å; F505-W517 AromaticContact CE1-CH2 3.75Å; F505-W517 HydrophobicContact CE1-CH2 3.75Å; F505-W517 HydrophobicContact CE1-CZ3 4.47Å; F505-W517 HydrophobicContact CE2-CH2 4.28Å; F505-W517 AromaticContact CZ-CH2 3.39Å; F505-W517 HydrophobicContact CZ-CH2 3.39Å; F505-W517 HydrophobicContact CZ-CZ2 4.16Å; F505-W517 HydrophobicContact CZ-CZ3 4.17Å; A509-W517 HydrophobicContact CB-CH2 3.35Å; A509-W517 HydrophobicContact CB-CZ2 3.54Å; A509-W517 HydrophobicContact CB-CZ3 4.33Å; A514-W517 PolarHBondContact O-N 3.26Å; D515-W517 PolarHBondContact O-N 3.04Å |
| 518 | K | 48.1 | Very low | 59.4 | Low | 165 Ų | 165 | 103.9 Ų | 103.9 | 72% | 0.717 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -28.7 | 177.6 | -156.3 | 172.4 | -179 | -176.9 | 0 | 112.3 | D515 N520 | D515-K518 WeakPolarHBondContact O-CB 3.44Å; D515-K518 PolarHBondContact O-N 3.44Å; K518-N520 PolarHBondContact O-N 3.37Å |
| 519 | D | 46.5 | Very low | 56.9 | Low | 113 Ų | 113 | 108.1 Ų | 108.1 | 60% | 0.604 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -14.8 | -169.7 | -56.3 | -41 | 0 | 0 | 0 | 115.6 | ||
| 520 | N | 46.5 | Very low | 54.3 | Low | 143 Ų | 143 | 112.4 Ų | 112.4 | 77% | 0.765 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -16.8 | -172.1 | -152.1 | 67.4 | 0 | 0 | 0 | 114.3 | K518 | K518-N520 PolarHBondContact O-N 3.37Š|
| 521 | D | 48.9 | Very low | 51.5 | Low | 111 Ų | 111 | 111 Ų | 111 | 59% | 0.594 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -85.6 | -15.6 | 174.1 | -69.7 | -45.2 | 0 | 0 | 0 | 111.9 | K478 | K478-D521 IonicContact NZ-OD2 2.67Å; K478-D521 PolarHBondContact NZ-OD2 3.08Å |
| 522 | S | 48.3 | Very low | 49.2 | Very low | 105 Ų | 105 | 112.9 Ų | 112.9 | 73% | 0.734 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -103.7 | -6.5 | -173.3 | -56.4 | 0 | 0 | 0 | 0 | 115.7 | ||
| 523 | N | 38.8 | Very low | 47.2 | Very low | 137 Ų | 137 | 113.1 Ų | 113.1 | 73% | 0.733 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -112 | 7.4 | -176.2 | -155.5 | 27.7 | 0 | 0 | 0 | 114.2 | ||
| 524 | G | 38.9 | Very low | 46 | Very low | 70 Ų | 70 | 117.1 Ų | 117.1 | 72% | 0.722 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -88.7 | -13.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 525 | S | 40.4 | Very low | 45.2 | Very low | 106 Ų | 106 | 119.6 Ų | 119.6 | 74% | 0.741 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -112.1 | 19.5 | -171.3 | -56 | 0 | 0 | 0 | 0 | 114.4 | ||
| 526 | R | 39.3 | Very low | 44.3 | Very low | 225 Ų | 225 | 122.8 Ų | 122.8 | 85% | 0.849 | 69% | 0.694 | S | S | * | * | trans | -112.6 | 40.7 | 176.4 | -153.3 | 178 | -175.2 | 162.7 | 2.9 | 113.8 | ||||
| 527 | V | 40.7 | Very low | 43.6 | Very low | 140 Ų | 140 | 123.4 Ų | 123.4 | 85% | 0.848 | 71% | 0.711 | S | S | * | * | trans | -134.1 | 43.5 | 158.3 | -159.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 528 | T | 40.7 | Very low | 42.8 | Very low | 105 Ų | 105 | 129.6 Ų | 129.6 | 64% | 0.644 | 74% | 0.74 | S | S | * | * | trans | -80.2 | 125.1 | 154 | 41.5 | 0 | 0 | 0 | 0 | 108.1 | S530 | T528-S530 PolarHBondContact O-N 3.49Š| ||
| 529 | V | 43.5 | Very low | 42.6 | Very low | 144 Ų | 144 | 129.6 Ų | 129.6 | 87% | 0.873 | 74% | 0.743 | S | S | * | * | trans | -70.1 | 74.1 | 167 | -179.3 | 0 | 0 | 0 | 0 | 107.8 | G531 | V529-G531 PolarHBondContact O-N 3.43Š| ||
| 530 | S | 40.1 | Very low | 42.3 | Very low | 93 Ų | 93 | 133.1 Ų | 133.1 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | trans | -83.1 | 62.7 | 170.3 | -63.3 | 0 | 0 | 0 | 0 | 109.1 | T528 K532 | T528-S530 PolarHBondContact O-N 3.49Å; S530-K532 PolarHBondContact O-N 3.33Å | ||
| 531 | G | 38 | Very low | 42.3 | Very low | 66 Ų | 66 | 131 Ų | 131 | 68% | 0.68 | 75% | 0.749 | S | S | * | * | trans | -67 | 70.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | V529 | V529-G531 PolarHBondContact O-N 3.43Š| ||
| 532 | K | 41.8 | Very low | 42.3 | Very low | 189 Ų | 189 | 132.2 Ų | 132.2 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 121.3 | 158.6 | -86.7 | -173.3 | 172 | -177 | 0 | 106.5 | S530 | S530-K532 PolarHBondContact O-N 3.33Š|
| 533 | P | 47.4 | Very low | 42 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 156.4 | 174 | 27.3 | -34.2 | 0 | 0 | 0 | 109.9 | S535 | P533-S535 PolarHBondContact O-N 3.36Å; P533-S535 VanDerWaalsContact O-N 3.1Å |
| 534 | P | 50.4 | Low | 42.3 | Very low | 113 Ų | 113 | 137.3 Ų | 137.3 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 119.4 | 179.3 | 24.4 | -33.9 | 0 | 0 | 0 | 110 | F536 | P534-F536 PolarHBondContact O-N 3.34Š|
| 535 | S | 39.9 | Very low | 42.8 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -68.4 | 105.8 | 174.2 | -172.2 | 0 | 0 | 0 | 0 | 108.5 | P533 S537 | P533-S535 PolarHBondContact O-N 3.36Å; P533-S535 VanDerWaalsContact O-N 3.1Å; S535-S537 PolarHBondContact O-N 3.4Å | ||
| 536 | F | 38.9 | Very low | 43.6 | Very low | 194 Ų | 194 | 145.2 Ų | 145.2 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | -63.7 | 96.5 | 164.5 | -89.5 | -96.1 | 0 | 0 | 0 | 109.1 | P534 F538 | P534-F536 PolarHBondContact O-N 3.34Å; F536-F538 PolarHBondContact O-N 3.37Å | ||
| 537 | S | 41.5 | Very low | 44.1 | Very low | 100 Ų | 100 | 143.7 Ų | 143.7 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | -82.3 | 104.1 | 161.2 | -70.4 | 0 | 0 | 0 | 0 | 108.2 | S535 E539 | S535-S537 PolarHBondContact O-N 3.4Å; S537-E539 VanDerWaalsContact C-N 3.29Å; S537-E539 PolarHBondContact O-N 3Å | ||
| 538 | F | 39.9 | Very low | 44.5 | Very low | 185 Ų | 185 | 142.1 Ų | 142.1 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | trans | -75.1 | 81.5 | 176 | -168.6 | -89.7 | 0 | 0 | 0 | 109.5 | F536 K540 | F536-F538 PolarHBondContact O-N 3.37Å; F538-K540 HydrophobicContact CD1-CG 4.18Å; F538-K540 HydrophobicContact CE1-CG 3.92Å; F538-K540 PolarHBondContact O-N 3.38Å; F538-K540 VanDerWaalsContact O-N 3.16Å | ||
| 539 | E | 44.8 | Very low | 44.9 | Very low | 165 Ų | 165 | 147.7 Ų | 147.7 | 77% | 0.771 | 79% | 0.787 | S | S | * | * | trans | -77.2 | 102.9 | 177.8 | -160.9 | 162.8 | 117.2 | 0 | 0 | 110 | S537 S541 | S537-E539 VanDerWaalsContact C-N 3.29Å; S537-E539 PolarHBondContact O-N 3Å; E539-S541 PolarHBondContact O-N 3.49Å | ||
| 540 | K | 40.3 | Very low | 45.3 | Very low | 186 Ų | 186 | 149.5 Ų | 149.5 | 81% | 0.809 | 81% | 0.806 | S | S | * | * | trans | -66 | 98.8 | 168.1 | -83.1 | -176.8 | 173.2 | 178.7 | 0 | 109 | F538 | F538-K540 HydrophobicContact CD1-CG 4.18Å; F538-K540 HydrophobicContact CE1-CG 3.92Å; F538-K540 PolarHBondContact O-N 3.38Å; F538-K540 VanDerWaalsContact O-N 3.16Å | ||
| 541 | S | 46.7 | Very low | 45.6 | Very low | 100 Ų | 100 | 152.3 Ų | 152.3 | 70% | 0.699 | 81% | 0.813 | S | S | * | * | trans | -124.6 | 129.2 | 159.9 | -87.3 | 0 | 0 | 0 | 0 | 111.5 | E539 | E539-S541 PolarHBondContact O-N 3.49Š| ||
| 542 | T | 47.6 | Very low | 46 | Very low | 135 Ų | 135 | 156.8 Ų | 156.8 | 83% | 0.828 | 82% | 0.82 | S | S | * | * | trans | -63.6 | 132.2 | -170.8 | 38.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 543 | L | 41.6 | Very low | 46.2 | Very low | 154 Ų | 154 | 155.1 Ų | 155.1 | 81% | 0.806 | 82% | 0.82 | S | S | * | * | 59.3 | 94.5 | 121.7 | -158.7 | 85.1 | 0 | 0 | 0 | 118.9 | |||||
| 544 | Q | 45 | Very low | 46.2 | Very low | 195 Ų | 195 | 157.7 Ų | 157.7 | 91% | 0.911 | 83% | 0.827 | S | S | * | * | trans | -147.4 | 136.1 | 134.6 | -146.4 | 111.6 | 22.3 | 0 | 0 | 110.3 | ||||
| 545 | K | 49.4 | Very low | 45.9 | Very low | 182 Ų | 182 | 160.5 Ų | 160.5 | 79% | 0.791 | 83% | 0.832 | S | S | * | * | trans | -97 | 135.1 | 175.3 | -75.7 | 172.1 | 174.3 | 169.5 | 0 | 109.3 | ||||
| 546 | D | 58.3 | Low | 46.3 | Very low | 160 Ų | 160 | 164 Ų | 164 | 86% | 0.856 | 84% | 0.838 | S | S | * | * | trans | -176 | 122.5 | 141.8 | -87 | -38.1 | 0 | 0 | 0 | 105.4 | ||||
| 547 | K | 50 | Low | 46.8 | Very low | 194 Ų | 194 | 161.9 Ų | 161.9 | 84% | 0.843 | 84% | 0.837 | S | S | * | * | cis | 76.4 | 68.3 | 27.1 | -136.6 | -169.2 | -169.8 | -164.9 | 0 | 115.1 | ||||
| 548 | S | 49.2 | Very low | 47.2 | Very low | 107 Ų | 107 | 166.6 Ų | 166.6 | 75% | 0.748 | 85% | 0.847 | S | S | * | * | trans | -169.1 | 138 | 139.6 | -94 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 549 | Y | 48.2 | Very low | 47.8 | Very low | 221 Ų | 221 | 165.1 Ų | 165.1 | 87% | 0.867 | 85% | 0.85 | S | S | * | * | trans | 50 | 121.4 | 141.4 | -81.8 | -103.2 | 0 | 0 | 0 | 119.1 | ||||
| 550 | S | 53 | Low | 48.1 | Very low | 182 Ų | 182 | 165.1 Ų | 165.1 | 100% | 1.273 | 86% | 0.857 | S | S | * | * | cis | -153.9 | 0 | 32.2 | -176.9 | 0 | 0 | 0 | 0 | 112.2 |
Retrieved 550 of 550 residues in 287.8 ms
(Link to these results)