| 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 | 40.8 | Very low | 48.1 | Very low | 244 Ų | 244 | 123.8 Ų | 123.8 | 100% | 1.202 | 68% | 0.677 | S | S | * | * | 0 | 137.9 | 0 | -61.7 | 167.9 | 77.5 | 0 | 0 | 108 | |||||
| 2 | Q | 38.3 | Very low | 48.2 | Very low | 200 Ų | 200 | 120.9 Ų | 120.9 | 94% | 0.935 | 65% | 0.652 | S | S | * | * | trans | -84.6 | 148.4 | 174.3 | -74 | 178.3 | -15.7 | 0 | 0 | 110.4 | N4 | Q2-N4 PolarHBondContact O-N 3.02Š| ||
| 3 | S | 47.3 | Very low | 48.5 | Very low | 108 Ų | 108 | 119.9 Ų | 119.9 | 76% | 0.755 | 65% | 0.645 | S | S | * | * | trans | -73.8 | 114.8 | -171.3 | 42.7 | 0 | 0 | 0 | 0 | 112.4 | P5 | S3-P5 WeakPolarHBondContact O-CD 3.23Š| ||
| 4 | N | 46.3 | Very low | 48.9 | Very low | 101 Ų | 101 | 117.6 Ų | 117.6 | 54% | 0.54 | 64% | 0.637 | S | S | . | * | trans | -69.4 | 119.6 | 170.6 | -172.3 | -15.6 | 0 | 0 | 0 | 109.4 | Q2 A6 F7 | Q2-N4 PolarHBondContact O-N 3.02Å; N4-A6 PolarHBondContact O-N 2.73Å; N4-A6 VanDerWaalsContact O-N 3.13Å; N4-A6 PolarHBondContact OD1-N 3.26Å; N4-F7 HydrophobicContact CB-CD2 4.47Å | ||
| 5 | P | 51.9 | Low | 48.9 | Very low | 116 Ų | 116 | 115.1 Ų | 115.1 | 75% | 0.753 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -4.8 | -171.6 | 28.3 | -36.2 | 0 | 0 | 0 | 114.9 | S3 F7 | S3-P5 WeakPolarHBondContact O-CD 3.23Å; P5-F7 PolarHBondContact O-N 3.25Å |
| 6 | A | 52.9 | Low | 48.7 | Very low | 85 Ų | 85 | 112.4 Ų | 112.4 | 70% | 0.702 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -17.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | N4 | N4-A6 PolarHBondContact O-N 2.73Å; N4-A6 VanDerWaalsContact O-N 3.13Å; N4-A6 PolarHBondContact OD1-N 3.26Å |
| 7 | F | 48.9 | Very low | 48.8 | Very low | 96 Ų | 96 | 110.7 Ų | 110.7 | 42% | 0.421 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -87.5 | 128.8 | -179.4 | -69.3 | -74.5 | 0 | 0 | 0 | 112.8 | N4 P5 T11 K12 L15 | N4-F7 HydrophobicContact CB-CD2 4.47Å; P5-F7 PolarHBondContact O-N 3.25Å; F7-T11 WeakPolarHBondContact CB-OG1 3.46Å; F7-T11 HydrophobicContact CD1-CG2 4.47Å; F7-K12 HydrophobicContact CB-CG 4.23Å; F7-K12 VanDerWaalsContact O-CE 3.26Å; F7-K12 WeakPolarHBondContact O-CE 3.44Å; F7-K12 PolarHBondContact O-NZ 3.24Å; F7-L15 HydrophobicContact CD1-CD1 4.49Å; F7-L15 HydrophobicContact CE1-CD1 4.43Å |
| 8 | S | 49.9 | Very low | 49 | Very low | 54 Ų | 54 | 111.3 Ų | 111.3 | 38% | 0.378 | 61% | 0.613 | S | S | . | * | trans | -61.9 | 158.1 | 168 | 71 | 0 | 0 | 0 | 0 | 110.6 | E10 T11 K12 | S8-E10 PolarHBondContact O-N 3.41Å; S8-T11 PolarHBondContact N-OG1 3.36Å; S8-T11 VanDerWaalsContact N-OG1 3.11Å; S8-T11 PolarHBondContact O-N 3.04Å; S8-T11 VanDerWaalsContact O-N 3.16Å; S8-T11 PolarHBondContact O-OG1 2.95Å; S8-T11 PolarHBondContact OG-N 3.27Å; S8-T11 PolarHBondContact OG-OG1 3.01Å; S8-K12 WeakPolarHBondContact O-CG 3.26Å; S8-K12 PolarHBondContact O-N 3.07Å; S8-K12 VanDerWaalsContact O-N 3.08Å | ||
| 9 | E | 49.5 | Very low | 48.2 | Very low | 153 Ų | 153 | 112.2 Ų | 112.2 | 72% | 0.715 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.6 | -31.4 | 179.1 | -61.9 | -168.5 | 128.6 | 0 | 0 | 112.3 | K12 I13 | E9-K12 WeakPolarHBondContact O-CB 3.41Å; E9-K12 PolarHBondContact O-N 3.44Å; E9-I13 WeakPolarHBondContact O-CG1 3.17Å; E9-I13 PolarHBondContact O-N 3.44Å |
| 10 | E | 48.6 | Very low | 47.6 | Very low | 148 Ų | 148 | 109.7 Ų | 109.7 | 69% | 0.692 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -59 | -48.8 | 172.9 | -60.8 | 159.5 | 155.6 | 0 | 0 | 111.7 | S8 K12 I13 V14 | S8-E10 PolarHBondContact O-N 3.41Å; E10-K12 VanDerWaalsContact C-N 3.32Å; E10-K12 PolarHBondContact O-N 2.91Å; E10-I13 PolarHBondContact O-N 3.14Å; E10-V14 PolarHBondContact O-N 3.28Å |
| 11 | T | 54.9 | Low | 47 | Very low | 57 Ų | 57 | 110.1 Ų | 110.1 | 35% | 0.35 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66.4 | -30.4 | 174.7 | 40.1 | 0 | 0 | 0 | 0 | 113.4 | F7 S8 L15 | F7-T11 WeakPolarHBondContact CB-OG1 3.46Å; F7-T11 HydrophobicContact CD1-CG2 4.47Å; S8-T11 PolarHBondContact N-OG1 3.36Å; S8-T11 VanDerWaalsContact N-OG1 3.11Å; S8-T11 PolarHBondContact O-N 3.04Å; S8-T11 VanDerWaalsContact O-N 3.16Å; S8-T11 PolarHBondContact O-OG1 2.95Å; S8-T11 PolarHBondContact OG-N 3.27Å; S8-T11 PolarHBondContact OG-OG1 3.01Å; T11-L15 WeakPolarHBondContact O-CB 3.47Å; T11-L15 WeakPolarHBondContact O-CG 3.34Å; T11-L15 PolarHBondContact O-N 3.18Å; T11-L15 VanDerWaalsContact O-N 3.1Å |
| 12 | K | 49.6 | Very low | 46.9 | Very low | 89 Ų | 89 | 104 Ų | 104 | 39% | 0.387 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.3 | -42 | 173.8 | -66.9 | 172.9 | -176 | 127 | 0 | 111.5 | F7 S8 E9 E10 L15 S16 | F7-K12 HydrophobicContact CB-CG 4.23Å; F7-K12 VanDerWaalsContact O-CE 3.26Å; F7-K12 WeakPolarHBondContact O-CE 3.44Å; F7-K12 PolarHBondContact O-NZ 3.24Å; S8-K12 WeakPolarHBondContact O-CG 3.26Å; S8-K12 PolarHBondContact O-N 3.07Å; S8-K12 VanDerWaalsContact O-N 3.08Å; E9-K12 WeakPolarHBondContact O-CB 3.41Å; E9-K12 PolarHBondContact O-N 3.44Å; E10-K12 VanDerWaalsContact C-N 3.32Å; E10-K12 PolarHBondContact O-N 2.91Å; K12-L15 PolarHBondContact O-N 3.2Å; K12-S16 WeakPolarHBondContact O-CB 3.41Å; K12-S16 PolarHBondContact O-N 3.22Å; K12-S16 PolarHBondContact O-OG 3.2Å |
| 13 | I | 52.2 | Low | 46.6 | Very low | 108 Ų | 108 | 101.6 Ų | 101.6 | 55% | 0.554 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -59 | -54.1 | 177.1 | -68.2 | 162.9 | 0 | 0 | 0 | 109.6 | E9 E10 L15 S16 S17 | E9-I13 WeakPolarHBondContact O-CG1 3.17Å; E9-I13 PolarHBondContact O-N 3.44Å; E10-I13 PolarHBondContact O-N 3.14Å; I13-L15 PolarHBondContact O-N 2.88Å; I13-S16 CarbonylContact O-C 3.52Å; I13-S16 PolarHBondContact O-N 3.29Å; I13-S16 PolarHBondContact O-OG 2.77Å; I13-S17 PolarHBondContact O-N 3.47Å; I13-S17 PolarHBondContact O-OG 2.84Å; I13-S17 VanDerWaalsContact O-OG 3.13Å |
| 14 | V | 53.5 | Low | 45.7 | Very low | 88 Ų | 88 | 103.5 Ų | 103.5 | 53% | 0.533 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -57.5 | -45.8 | -179.8 | 177.2 | 0 | 0 | 0 | 0 | 112.1 | E10 S16 S17 I18 | E10-V14 PolarHBondContact O-N 3.28Å; V14-S16 VanDerWaalsContact C-N 3.31Å; V14-S16 PolarHBondContact O-N 3.39Å; V14-S17 WeakPolarHBondContact O-CB 3.15Å; V14-S17 PolarHBondContact O-N 3.5Å; V14-I18 HydrophobicContact CG1-CD1 4.08Å; V14-I18 WeakPolarHBondContact O-CG1 3.45Å; V14-I18 PolarHBondContact O-N 3.32Å; V14-I18 VanDerWaalsContact O-N 3.16Å |
| 15 | L | 48.8 | Very low | 45 | Very low | 79 Ų | 79 | 103 Ų | 103 | 41% | 0.414 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.8 | -31.9 | 177.4 | -72.5 | 168.3 | 0 | 0 | 0 | 113 | F7 T11 K12 I13 N19 | F7-L15 HydrophobicContact CD1-CD1 4.49Å; F7-L15 HydrophobicContact CE1-CD1 4.43Å; T11-L15 WeakPolarHBondContact O-CB 3.47Å; T11-L15 WeakPolarHBondContact O-CG 3.34Å; T11-L15 PolarHBondContact O-N 3.18Å; T11-L15 VanDerWaalsContact O-N 3.1Å; K12-L15 PolarHBondContact O-N 3.2Å; I13-L15 PolarHBondContact O-N 2.88Å; L15-N19 WeakPolarHBondContact O-CB 3.49Å; L15-N19 PolarHBondContact O-N 3.03Å; L15-N19 VanDerWaalsContact O-N 3.12Å; L15-N19 PolarHBondContact O-ND2 3.13Å |
| 16 | S | 45.9 | Very low | 43.9 | Very low | 72 Ų | 72 | 104.2 Ų | 104.2 | 50% | 0.503 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -74.5 | -27.4 | 173.7 | 70.7 | 0 | 0 | 0 | 0 | 113.4 | K12 I13 V14 A20 | K12-S16 WeakPolarHBondContact O-CB 3.41Å; K12-S16 PolarHBondContact O-N 3.22Å; K12-S16 PolarHBondContact O-OG 3.2Å; I13-S16 CarbonylContact O-C 3.52Å; I13-S16 PolarHBondContact O-N 3.29Å; I13-S16 PolarHBondContact O-OG 2.77Å; V14-S16 VanDerWaalsContact C-N 3.31Å; V14-S16 PolarHBondContact O-N 3.39Å; S16-A20 PolarHBondContact O-N 2.89Å; S16-A20 VanDerWaalsContact O-N 3.14Å |
| 17 | S | 49.7 | Very low | 43 | Very low | 84 Ų | 84 | 107.6 Ų | 107.6 | 59% | 0.587 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70.4 | -34.4 | 172.1 | -55.3 | 0 | 0 | 0 | 0 | 112.5 | I13 V14 | I13-S17 PolarHBondContact O-N 3.47Å; I13-S17 PolarHBondContact O-OG 2.84Å; I13-S17 VanDerWaalsContact O-OG 3.13Å; V14-S17 WeakPolarHBondContact O-CB 3.15Å; V14-S17 PolarHBondContact O-N 3.5Å |
| 18 | I | 52.7 | Low | 42.2 | Very low | 121 Ų | 121 | 111.3 Ų | 111.3 | 62% | 0.621 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -76.7 | -38 | 177.9 | -64.1 | 163.7 | 0 | 0 | 0 | 111.5 | V14 | V14-I18 HydrophobicContact CG1-CD1 4.08Å; V14-I18 WeakPolarHBondContact O-CG1 3.45Å; V14-I18 PolarHBondContact O-N 3.32Å; V14-I18 VanDerWaalsContact O-N 3.16Å |
| 19 | N | 34.6 | Very low | 41.3 | Very low | 128 Ų | 128 | 116.1 Ų | 116.1 | 68% | 0.684 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -94.9 | 10.7 | -177.5 | -70.3 | -30.9 | 0 | 0 | 0 | 114.3 | L15 P21 | L15-N19 WeakPolarHBondContact O-CB 3.49Å; L15-N19 PolarHBondContact O-N 3.03Å; L15-N19 VanDerWaalsContact O-N 3.12Å; L15-N19 PolarHBondContact O-ND2 3.13Å; N19-P21 WeakPolarHBondContact O-CD 3.27Å |
| 20 | A | 36.7 | Very low | 40.5 | Very low | 62 Ų | 62 | 116.7 Ų | 116.7 | 51% | 0.512 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -70.5 | 116.5 | 166 | 0 | 0 | 0 | 0 | 0 | 108 | S16 S22 | S16-A20 PolarHBondContact O-N 2.89Å; S16-A20 VanDerWaalsContact O-N 3.14Å; A20-S22 PolarHBondContact O-N 3.21Å; A20-S22 VanDerWaalsContact O-N 3.11Å |
| 21 | P | 34.9 | Very low | 39.7 | Very low | 119 Ų | 119 | 115.6 Ų | 115.6 | 77% | 0.773 | 65% | 0.648 | S | S | * | * | trans | -62.1 | 121.1 | 175.4 | 26.2 | -32.7 | 0 | 0 | 0 | 108 | N19 L23 | N19-P21 WeakPolarHBondContact O-CD 3.27Å; P21-L23 PolarHBondContact O-N 3.45Å | ||
| 22 | S | 38.2 | Very low | 38.9 | Very low | 115 Ų | 115 | 117.8 Ų | 117.8 | 80% | 0.804 | 66% | 0.661 | S | S | * | * | trans | -58.5 | 102.5 | 175.4 | 51.5 | 0 | 0 | 0 | 0 | 108.5 | A20 L24 | A20-S22 PolarHBondContact O-N 3.21Å; A20-S22 VanDerWaalsContact O-N 3.11Å; S22-L24 PolarHBondContact O-N 3.19Å | ||
| 23 | L | 30.6 | Very low | 38.1 | Very low | 150 Ų | 150 | 122.9 Ų | 122.9 | 79% | 0.785 | 69% | 0.686 | S | S | * | * | trans | -59.5 | 125.8 | -179.2 | -158.8 | 82.1 | 0 | 0 | 0 | 107.6 | P21 V25 | P21-L23 PolarHBondContact O-N 3.45Å; L23-V25 HydrophobicContact CB-CG2 4.32Å; L23-V25 HydrophobicContact CD2-CG2 4.08Å; L23-V25 HydrophobicContact CG-CG2 4.47Å; L23-V25 PolarHBondContact O-N 3.45Å | ||
| 24 | L | 29.6 | Very low | 37.3 | Very low | 148 Ų | 148 | 123.2 Ų | 123.2 | 78% | 0.775 | 69% | 0.689 | S | S | * | * | trans | -76.4 | 74.6 | -174.2 | -156.6 | 162.3 | 0 | 0 | 0 | 109 | S22 N26 | S22-L24 PolarHBondContact O-N 3.19Å; L24-N26 WeakPolarHBondContact CD2-OD1 2.97Å; L24-N26 PolarHBondContact O-N 3.43Å | ||
| 25 | V | 31.7 | Very low | 36.5 | Very low | 92 Ų | 92 | 123.7 Ų | 123.7 | 56% | 0.558 | 70% | 0.696 | S | S | * | * | trans | -79.6 | 97.9 | 177.6 | 177.1 | 0 | 0 | 0 | 0 | 107.7 | L23 E27 | L23-V25 HydrophobicContact CB-CG2 4.32Å; L23-V25 HydrophobicContact CD2-CG2 4.08Å; L23-V25 HydrophobicContact CG-CG2 4.47Å; L23-V25 PolarHBondContact O-N 3.45Å; V25-E27 HydrophobicContact CG1-CB 4.28Å; V25-E27 HydrophobicContact CG1-CG 3.89Å; V25-E27 PolarHBondContact O-N 3.38Å | ||
| 26 | N | 27.7 | Very low | 36.1 | Very low | 140 Ų | 140 | 124.8 Ų | 124.8 | 75% | 0.749 | 70% | 0.703 | S | S | * | * | trans | -68.8 | 82 | 165.4 | -73.4 | -11.3 | 0 | 0 | 0 | 109.4 | L24 | L24-N26 WeakPolarHBondContact CD2-OD1 2.97Å; L24-N26 PolarHBondContact O-N 3.43Å | ||
| 27 | E | 34.3 | Very low | 35.8 | Very low | 156 Ų | 156 | 127.8 Ų | 127.8 | 73% | 0.729 | 71% | 0.713 | S | S | * | * | trans | -108.5 | 85.2 | 158.4 | -78 | -169.9 | 171 | 0 | 0 | 109.1 | V25 | V25-E27 HydrophobicContact CG1-CB 4.28Å; V25-E27 HydrophobicContact CG1-CG 3.89Å; V25-E27 PolarHBondContact O-N 3.38Å | ||
| 28 | E | 32 | Very low | 35.5 | Very low | 174 Ų | 174 | 126.4 Ų | 126.4 | 81% | 0.813 | 71% | 0.707 | S | S | * | * | trans | -51.7 | 152.1 | 152.1 | -61.1 | 174.8 | 123.1 | 0 | 0 | 109 | ||||
| 29 | N | 31.6 | Very low | 35 | Very low | 155 Ų | 155 | 126.9 Ų | 126.9 | 83% | 0.829 | 71% | 0.705 | S | S | * | * | trans | 80 | 51.3 | -177.9 | -43.8 | -80.7 | 0 | 0 | 0 | 116.4 | ||||
| 30 | Q | 33.3 | Very low | 35.3 | Very low | 165 Ų | 165 | 127.7 Ų | 127.7 | 77% | 0.771 | 70% | 0.704 | S | S | * | * | trans | -139.8 | 107.9 | 141.1 | -121.7 | 162.5 | 110.8 | 0 | 0 | 112.1 | V32 | Q30-V32 VanDerWaalsContact C-N 3.3Å; Q30-V32 PolarHBondContact O-N 2.93Å | ||
| 31 | S | 30.8 | Very low | 35.5 | Very low | 126 Ų | 126 | 132 Ų | 132 | 88% | 0.881 | 72% | 0.718 | S | S | * | * | trans | -74.5 | 78.3 | 176.8 | 55.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 32 | V | 38.5 | Very low | 35.6 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 62% | 0.624 | 72% | 0.715 | S | S | * | * | trans | -106.9 | 89 | 171.3 | -172.8 | 0 | 0 | 0 | 0 | 108.6 | Q30 N34 | Q30-V32 VanDerWaalsContact C-N 3.3Å; Q30-V32 PolarHBondContact O-N 2.93Å; V32-N34 HydrophobicContact CG1-CB 4.34Å; V32-N34 PolarHBondContact O-N 3.49Å | ||
| 33 | E | 32.3 | Very low | 35.4 | Very low | 195 Ų | 195 | 132.6 Ų | 132.6 | 91% | 0.911 | 70% | 0.704 | S | S | * | * | trans | -59.1 | 94.5 | 169.7 | -178.1 | -178.2 | -157.1 | 0 | 0 | 109.5 | ||||
| 34 | N | 36 | Very low | 36 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 62% | 0.615 | 70% | 0.7 | S | S | * | * | trans | -132.7 | 95.9 | -179.4 | -149.9 | 11.1 | 0 | 0 | 0 | 109.3 | V32 N36 | V32-N34 HydrophobicContact CG1-CB 4.34Å; V32-N34 PolarHBondContact O-N 3.49Å; N34-N36 PolarHBondContact O-N 3.3Å | ||
| 35 | S | 37.4 | Very low | 36.7 | Very low | 98 Ų | 98 | 129 Ų | 129 | 69% | 0.685 | 70% | 0.696 | S | S | * | * | trans | -76.2 | 61.8 | -167.1 | 42.1 | 0 | 0 | 0 | 0 | 113.7 | D37 A38 | S35-D37 PolarHBondContact O-N 3.29Å; S35-A38 WeakPolarHBondContact O-CB 3.43Å; S35-A38 PolarHBondContact O-N 2.97Å | ||
| 36 | N | 39 | Very low | 37.1 | Very low | 102 Ų | 102 | 130.5 Ų | 130.5 | 55% | 0.545 | 71% | 0.706 | S | S | . | * | G | 310 helix | trans | -62.4 | -21.9 | 177.5 | -73 | -38.4 | 0 | 0 | 0 | 113.5 | N34 A38 F39 | N34-N36 PolarHBondContact O-N 3.3Å; N36-A38 PolarHBondContact O-N 3.09Å; N36-F39 WeakPolarHBondContact O-CB 3.4Å; N36-F39 PolarHBondContact O-N 2.94Å |
| 37 | D | 40.7 | Very low | 38.2 | Very low | 135 Ų | 135 | 128.4 Ų | 128.4 | 72% | 0.722 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -60.9 | -16.8 | 176.7 | -61.8 | -11.1 | 0 | 0 | 0 | 113.4 | S35 F39 E40 | S35-D37 PolarHBondContact O-N 3.29Å; D37-F39 PolarHBondContact O-N 2.73Å; D37-E40 PolarHBondContact O-N 3.26Å |
| 38 | A | 43.6 | Very low | 39.5 | Very low | 55 Ų | 55 | 124.3 Ų | 124.3 | 46% | 0.455 | 68% | 0.677 | S | S | . | * | G | 310 helix | trans | -62 | -19.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S35 N36 | S35-A38 WeakPolarHBondContact O-CB 3.43Å; S35-A38 PolarHBondContact O-N 2.97Å; N36-A38 PolarHBondContact O-N 3.09Å |
| 39 | F | 42.3 | Very low | 41.1 | Very low | 131 Ų | 131 | 121.5 Ų | 121.5 | 58% | 0.575 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -76.1 | -30 | 175.8 | -88.2 | -88.1 | 0 | 0 | 0 | 113.8 | N36 D37 L42 | N36-F39 WeakPolarHBondContact O-CB 3.4Å; N36-F39 PolarHBondContact O-N 2.94Å; D37-F39 PolarHBondContact O-N 2.73Å; F39-L42 PolarHBondContact O-N 3.1Å |
| 40 | E | 39.6 | Very low | 42.9 | Very low | 145 Ų | 145 | 120.6 Ų | 120.6 | 68% | 0.678 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -64.5 | -42.4 | 176.6 | -72 | -72.1 | 127 | 0 | 0 | 110.6 | D37 L42 L43 | D37-E40 PolarHBondContact O-N 3.26Å; E40-L42 PolarHBondContact O-N 3.1Å; E40-L43 PolarHBondContact O-N 2.74Å |
| 41 | L | 41.3 | Very low | 44.8 | Very low | 153 Ų | 153 | 115.6 Ų | 115.6 | 80% | 0.801 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -69.7 | -11.5 | -177.9 | -71.4 | 170.6 | 0 | 0 | 0 | 114.9 | ||
| 42 | L | 37.3 | Very low | 46.5 | Very low | 137 Ų | 137 | 111.6 Ų | 111.6 | 72% | 0.717 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -93.8 | 4.7 | 175.5 | -82.3 | 161.2 | 0 | 0 | 0 | 113.2 | F39 E40 | F39-L42 PolarHBondContact O-N 3.1Å; E40-L42 PolarHBondContact O-N 3.1Å |
| 43 | L | 33.6 | Very low | 47.8 | Very low | 110 Ų | 110 | 109.8 Ų | 109.8 | 58% | 0.576 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | 132.9 | 173.3 | -69.4 | 169.9 | 0 | 0 | 0 | 112.5 | E40 | E40-L43 PolarHBondContact O-N 2.74Š|
| 44 | P | 44.3 | Very low | 49.6 | Very low | 105 Ų | 105 | 105.2 Ų | 105.2 | 68% | 0.682 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | -97.6 | 121.2 | -58.4 | 32.5 | -22.5 | 0 | 0 | 0 | 109.1 | V46 | P44-V46 PolarHBondContact O-N 2.95Š| |
| 45 | V | 42.8 | Very low | 51.2 | Low | 116 Ų | 116 | 103.3 Ų | 103.3 | 70% | 0.703 | 56% | 0.562 | S | S | * | * | trans | -63.1 | 111.1 | 158.3 | 177 | 0 | 0 | 0 | 0 | 106.2 | L47 | V45-L47 PolarHBondContact O-N 2.73Š| ||
| 46 | V | 40.7 | Very low | 52.5 | Low | 125 Ų | 125 | 99.2 Ų | 99.2 | 76% | 0.758 | 53% | 0.532 | S | S | * | . | trans | -64.9 | 98.5 | -179.6 | 179.1 | 0 | 0 | 0 | 0 | 107.9 | P44 N48 | P44-V46 PolarHBondContact O-N 2.95Å; V46-N48 VanDerWaalsContact C-N 3.35Å; V46-N48 PolarHBondContact O-N 2.61Å | ||
| 47 | L | 51.7 | Low | 53.7 | Low | 95 Ų | 95 | 97.3 Ų | 97.3 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | trans | -58.9 | 100 | 172.6 | -67.8 | 174.8 | 0 | 0 | 0 | 107.6 | V45 | V45-L47 PolarHBondContact O-N 2.73Š| ||
| 48 | N | 61 | Low | 54.9 | Low | 70 Ų | 70 | 96.5 Ų | 96.5 | 37% | 0.374 | 53% | 0.526 | S | S | . | . | trans | -64.7 | 159.1 | 173.9 | 75.7 | -14 | 0 | 0 | 0 | 108.6 | V46 E50 T51 L52 | V46-N48 VanDerWaalsContact C-N 3.35Å; V46-N48 PolarHBondContact O-N 2.61Å; N48-E50 PolarHBondContact ND2-OE2 3Å; N48-E50 PolarHBondContact O-N 3.02Å; N48-E50 VanDerWaalsContact O-N 3.12Å; N48-T51 PolarHBondContact N-OG1 2.96Å; N48-T51 PolarHBondContact O-N 3.09Å; N48-T51 PolarHBondContact O-OG1 2.88Å; N48-T51 WeakPolarHBondContact OD1-CB 3.43Å; N48-T51 VanDerWaalsContact OD1-CG2 3.28Å; N48-T51 WeakPolarHBondContact OD1-CG2 3.46Å; N48-T51 PolarHBondContact OD1-N 3.07Å; N48-T51 PolarHBondContact OD1-OG1 3.39Å; N48-L52 PolarHBondContact O-N 3.33Å | ||
| 49 | K | 66.3 | Low | 56.1 | Low | 115 Ų | 115 | 99.4 Ų | 99.4 | 50% | 0.5 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -55.5 | -38.9 | -175.7 | -164.7 | -173.6 | 173.8 | -176.5 | 0 | 112.1 | L52 D53 D66 | K49-L52 CarbonylContact O-C 3.38Å; K49-L52 PolarHBondContact O-N 2.78Å; K49-L52 VanDerWaalsContact O-N 3.15Å; K49-D53 VanDerWaalsContact CE-OD1 3.22Å; K49-D53 WeakPolarHBondContact CE-OD1 3.45Å; K49-D53 WeakPolarHBondContact O-CB 3.5Å; K49-D53 VanDerWaalsContact O-CG 3.23Å; K49-D53 PolarHBondContact O-N 3.31Å; K49-D66 IonicContact NZ-OD2 3.39Å |
| 50 | E | 69.5 | Low | 56.6 | Low | 137 Ų | 137 | 96.5 Ų | 96.5 | 64% | 0.64 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.3 | -44 | -178.9 | -59.7 | 169.5 | 166.6 | 0 | 0 | 113.3 | N48 L52 I54 | N48-E50 PolarHBondContact ND2-OE2 3Å; N48-E50 PolarHBondContact O-N 3.02Å; N48-E50 VanDerWaalsContact O-N 3.12Å; E50-L52 VanDerWaalsContact C-N 3.29Å; E50-L52 PolarHBondContact O-N 2.89Å; E50-I54 WeakPolarHBondContact O-CD1 3.24Å; E50-I54 VanDerWaalsContact O-CG1 3.23Å; E50-I54 WeakPolarHBondContact O-CG1 3.14Å; E50-I54 PolarHBondContact O-N 3.34Å |
| 51 | T | 71.6 | Confident | 57.2 | Low | 59 Ų | 59 | 93.4 Ų | 93.4 | 36% | 0.362 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.2 | -32.3 | 174.7 | 50 | 0 | 0 | 0 | 0 | 112 | N48 V55 | N48-T51 PolarHBondContact N-OG1 2.96Å; N48-T51 PolarHBondContact O-N 3.09Å; N48-T51 PolarHBondContact O-OG1 2.88Å; N48-T51 WeakPolarHBondContact OD1-CB 3.43Å; N48-T51 VanDerWaalsContact OD1-CG2 3.28Å; N48-T51 WeakPolarHBondContact OD1-CG2 3.46Å; N48-T51 PolarHBondContact OD1-N 3.07Å; N48-T51 PolarHBondContact OD1-OG1 3.39Å; T51-V55 WeakPolarHBondContact O-CG2 3.29Å; T51-V55 PolarHBondContact O-N 2.89Å |
| 52 | L | 66.2 | Low | 57.5 | Low | 42 Ų | 42 | 89.2 Ų | 89.2 | 22% | 0.22 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -72.7 | -44.4 | 176.6 | -159.2 | 151.1 | 0 | 0 | 0 | 111.6 | N48 K49 E50 I54 V55 E56 I69 | N48-L52 PolarHBondContact O-N 3.33Å; K49-L52 CarbonylContact O-C 3.38Å; K49-L52 PolarHBondContact O-N 2.78Å; K49-L52 VanDerWaalsContact O-N 3.15Å; E50-L52 VanDerWaalsContact C-N 3.29Å; E50-L52 PolarHBondContact O-N 2.89Å; L52-I54 PolarHBondContact O-N 2.99Å; L52-V55 PolarHBondContact O-N 2.82Å; L52-E56 HydrophobicContact CD2-CG 4.03Å; L52-E56 VanDerWaalsContact CD2-OE1 3.29Å; L52-E56 WeakPolarHBondContact CD2-OE1 3.15Å; L52-E56 PolarHBondContact O-N 3.33Å; L52-I69 HydrophobicContact CD1-CD1 3.96Å; L52-I69 HydrophobicContact CD2-CD1 3.43Å; L52-I69 VanDerWaalsContact CD2-CD1 3.43Å; L52-I69 HydrophobicContact CG-CD1 4.3Å |
| 53 | D | 66.4 | Low | 58.1 | Low | 65 Ų | 65 | 85 Ų | 85 | 35% | 0.348 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -56.4 | -38.7 | 172.4 | -68.4 | -27.3 | 0 | 0 | 0 | 110.9 | K49 A57 | K49-D53 VanDerWaalsContact CE-OD1 3.22Å; K49-D53 WeakPolarHBondContact CE-OD1 3.45Å; K49-D53 WeakPolarHBondContact O-CB 3.5Å; K49-D53 VanDerWaalsContact O-CG 3.23Å; K49-D53 PolarHBondContact O-N 3.31Å; D53-A57 WeakPolarHBondContact O-CB 3.19Å; D53-A57 PolarHBondContact O-N 3.04Å |
| 54 | I | 71.3 | Confident | 58.8 | Low | 99 Ų | 99 | 80.7 Ų | 80.7 | 51% | 0.508 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.9 | -42.5 | 174 | -71.4 | 162.4 | 0 | 0 | 0 | 111.9 | E50 L52 A57 N58 | E50-I54 WeakPolarHBondContact O-CD1 3.24Å; E50-I54 VanDerWaalsContact O-CG1 3.23Å; E50-I54 WeakPolarHBondContact O-CG1 3.14Å; E50-I54 PolarHBondContact O-N 3.34Å; L52-I54 PolarHBondContact O-N 2.99Å; I54-A57 PolarHBondContact O-N 3.02Å; I54-N58 WeakPolarHBondContact O-CB 3.01Å; I54-N58 VanDerWaalsContact O-CG 3.22Å; I54-N58 PolarHBondContact O-N 3.48Å; I54-N58 PolarHBondContact O-ND2 2.81Å |
| 55 | V | 68.7 | Low | 58.7 | Low | 76 Ų | 76 | 75.8 Ų | 75.8 | 46% | 0.461 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 176.6 | 167.7 | 0 | 0 | 0 | 0 | 111.1 | T51 L52 N58 L59 | T51-V55 WeakPolarHBondContact O-CG2 3.29Å; T51-V55 PolarHBondContact O-N 2.89Å; L52-V55 PolarHBondContact O-N 2.82Å; V55-N58 PolarHBondContact O-N 2.92Å; V55-L59 HydrophobicContact CG1-CD1 3.79Å; V55-L59 HydrophobicContact CG1-CG 4.42Å; V55-L59 WeakPolarHBondContact O-CB 3.47Å; V55-L59 VanDerWaalsContact O-CG 3.28Å; V55-L59 WeakPolarHBondContact O-CG 3.25Å; V55-L59 PolarHBondContact O-N 3.5Å |
| 56 | E | 64.4 | Low | 58.7 | Low | 11 Ų | 11 | 71.6 Ų | 71.6 | 5% | 0.051 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 173 | -73.4 | -172.3 | -168.8 | 0 | 0 | 111.8 | L52 N58 L59 G60 L61 G62 G65 D66 | L52-E56 HydrophobicContact CD2-CG 4.03Å; L52-E56 VanDerWaalsContact CD2-OE1 3.29Å; L52-E56 WeakPolarHBondContact CD2-OE1 3.15Å; L52-E56 PolarHBondContact O-N 3.33Å; E56-N58 PolarHBondContact O-N 2.84Å; E56-L59 PolarHBondContact O-N 2.85Å; E56-G60 PolarHBondContact O-N 3.22Å; E56-L61 HydrophobicContact CB-CB 4.15Å; E56-L61 HydrophobicContact CG-CB 4.41Å; E56-L61 CarbonylContact O-C 3.39Å; E56-L61 WeakPolarHBondContact O-CA 3.37Å; E56-L61 PolarHBondContact O-N 3.45Å; E56-G62 PolarHBondContact O-N 3.36Å; E56-G65 VanDerWaalsContact CD-CA 3.43Å; E56-G65 VanDerWaalsContact OE1-C 3.24Å; E56-G65 WeakPolarHBondContact OE1-CA 3.42Å; E56-G65 PolarHBondContact OE1-N 2.9Å; E56-G65 PolarHBondContact OE2-N 3.41Å; E56-D66 PolarHBondContact OE1-N 3.42Å |
| 57 | A | 64 | Low | 58.8 | Low | 62 Ų | 62 | 73.2 Ų | 73.2 | 51% | 0.512 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60 | -45 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D53 I54 L59 G60 | D53-A57 WeakPolarHBondContact O-CB 3.19Å; D53-A57 PolarHBondContact O-N 3.04Å; I54-A57 PolarHBondContact O-N 3.02Å; A57-L59 VanDerWaalsContact C-N 3.31Å; A57-L59 PolarHBondContact O-N 2.93Å; A57-G60 PolarHBondContact O-N 3.4Å; A57-G60 VanDerWaalsContact O-N 3.16Å |
| 58 | N | 67.3 | Low | 58.7 | Low | 119 Ų | 119 | 72.8 Ų | 72.8 | 64% | 0.636 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.5 | -30.6 | 178 | -71.6 | -23.7 | 0 | 0 | 0 | 113.2 | I54 V55 E56 G60 | I54-N58 WeakPolarHBondContact O-CB 3.01Å; I54-N58 VanDerWaalsContact O-CG 3.22Å; I54-N58 PolarHBondContact O-N 3.48Å; I54-N58 PolarHBondContact O-ND2 2.81Å; V55-N58 PolarHBondContact O-N 2.92Å; E56-N58 PolarHBondContact O-N 2.84Å; N58-G60 VanDerWaalsContact C-N 3.3Å |
| 59 | L | 67 | Low | 58.1 | Low | 116 Ų | 116 | 71.2 Ų | 71.2 | 61% | 0.607 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -1.8 | 176 | -70.2 | 171.5 | 0 | 0 | 0 | 113.7 | V55 E56 A57 L61 | V55-L59 HydrophobicContact CG1-CD1 3.79Å; V55-L59 HydrophobicContact CG1-CG 4.42Å; V55-L59 WeakPolarHBondContact O-CB 3.47Å; V55-L59 VanDerWaalsContact O-CG 3.28Å; V55-L59 WeakPolarHBondContact O-CG 3.25Å; V55-L59 PolarHBondContact O-N 3.5Å; E56-L59 PolarHBondContact O-N 2.85Å; A57-L59 VanDerWaalsContact C-N 3.31Å; A57-L59 PolarHBondContact O-N 2.93Å; L59-L61 HydrophobicContact CB-CD1 4.02Å; L59-L61 HydrophobicContact CB-CG 3.97Å; L59-L61 HydrophobicContact CD1-CD1 4.11Å; L59-L61 PolarHBondContact O-N 3.1Å |
| 60 | G | 52.9 | Low | 57 | Low | 70 Ų | 70 | 68 Ų | 68 | 72% | 0.722 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 12.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114 | E56 A57 N58 G62 | E56-G60 PolarHBondContact O-N 3.22Å; A57-G60 PolarHBondContact O-N 3.4Å; A57-G60 VanDerWaalsContact O-N 3.16Å; N58-G60 VanDerWaalsContact C-N 3.3Å; G60-G62 VanDerWaalsContact C-N 3.25Å |
| 61 | L | 54 | Low | 55.9 | Low | 79 Ų | 79 | 65.5 Ų | 65.5 | 41% | 0.414 | 40% | 0.395 | S | S | . | . | trans | -87.3 | 8.9 | 175.4 | -59.9 | 175.9 | 0 | 0 | 0 | 112.8 | E56 L59 G63 G64 | E56-L61 HydrophobicContact CB-CB 4.15Å; E56-L61 HydrophobicContact CG-CB 4.41Å; E56-L61 CarbonylContact O-C 3.39Å; E56-L61 WeakPolarHBondContact O-CA 3.37Å; E56-L61 PolarHBondContact O-N 3.45Å; L59-L61 HydrophobicContact CB-CD1 4.02Å; L59-L61 HydrophobicContact CB-CG 3.97Å; L59-L61 HydrophobicContact CD1-CD1 4.11Å; L59-L61 PolarHBondContact O-N 3.1Å; L61-G63 VanDerWaalsContact C-N 3.27Å; L61-G63 PolarHBondContact O-N 3.28Å; L61-G64 PolarHBondContact O-N 3.29Å; L61-G64 VanDerWaalsContact O-N 3.13Å | ||
| 62 | G | 45.9 | Very low | 54.8 | Low | 66 Ų | 66 | 65.6 Ų | 65.6 | 68% | 0.68 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 81.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E56 G60 | E56-G62 PolarHBondContact O-N 3.36Å; G60-G62 VanDerWaalsContact C-N 3.25Å |
| 63 | G | 50.6 | Low | 53.7 | Low | 47 Ų | 47 | 68.7 Ų | 68.7 | 49% | 0.485 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 176.4 | -31.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L61 | L61-G63 VanDerWaalsContact C-N 3.27Å; L61-G63 PolarHBondContact O-N 3.28Å |
| 64 | G | 47.5 | Very low | 52.8 | Low | 20 Ų | 20 | 71.1 Ų | 71.1 | 21% | 0.206 | 42% | 0.42 | C | S | . | . | trans | 145.5 | 79.3 | 159.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L61 D66 W67 | L61-G64 PolarHBondContact O-N 3.29Å; L61-G64 VanDerWaalsContact O-N 3.13Å; G64-D66 PolarHBondContact O-N 3.36Å; G64-D66 VanDerWaalsContact O-N 3.15Å; G64-W67 PolarHBondContact O-N 3Å | ||
| 65 | G | 42.1 | Very low | 51.7 | Low | 2 Ų | 2 | 69.3 Ų | 69.3 | 2% | 0.021 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -17 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E56 W67 W68 I69 | E56-G65 VanDerWaalsContact CD-CA 3.43Å; E56-G65 VanDerWaalsContact OE1-C 3.24Å; E56-G65 WeakPolarHBondContact OE1-CA 3.42Å; E56-G65 PolarHBondContact OE1-N 2.9Å; E56-G65 PolarHBondContact OE2-N 3.41Å; G65-W67 PolarHBondContact O-N 2.82Å; G65-W68 PolarHBondContact O-N 3.04Å; G65-W68 PolarHBondContact O-NE1 3.47Å; G65-I69 WeakPolarHBondContact O-CG1 3.47Å; G65-I69 PolarHBondContact O-N 3.04Å |
| 66 | D | 42.9 | Very low | 51 | Low | 28 Ų | 28 | 69.1 Ų | 69.1 | 15% | 0.15 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -33.3 | -33.1 | 154.8 | -89.8 | -43.7 | 0 | 0 | 0 | 114.4 | K49 E56 G64 D70 R73 | K49-D66 IonicContact NZ-OD2 3.39Å; E56-D66 PolarHBondContact OE1-N 3.42Å; G64-D66 PolarHBondContact O-N 3.36Å; G64-D66 VanDerWaalsContact O-N 3.15Å; D66-D70 CarbonylContact O-C 3.43Å; D66-D70 WeakPolarHBondContact O-CA 3.28Å; D66-D70 WeakPolarHBondContact O-CB 3.43Å; D66-D70 PolarHBondContact O-N 3.23Å; D66-R73 IonicContact OD1-CZ 3.13Å; D66-R73 VanDerWaalsContact OD1-CZ 3.23Å; D66-R73 IonicContact OD1-NH1 3.23Å; D66-R73 IonicContact OD1-NH2 2.67Å; D66-R73 PolarHBondContact OD1-NH2 2.74Å; D66-R73 IonicContact OD2-CZ 3.13Å; D66-R73 VanDerWaalsContact OD2-CZ 3.23Å; D66-R73 IonicContact OD2-NH1 3.53Å; D66-R73 PolarHBondContact OD2-NH1 2.85Å; D66-R73 IonicContact OD2-NH2 3.81Å; D66-R73 PolarHBondContact OD2-NH2 3.29Å |
| 67 | W | 44.2 | Very low | 50.3 | Low | 160 Ų | 160 | 72.8 Ų | 72.8 | 61% | 0.606 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -71.5 | -29.2 | 179.7 | 74.4 | -108.8 | 0 | 0 | 0 | 115.2 | G64 G65 | G64-W67 PolarHBondContact O-N 3Å; G65-W67 PolarHBondContact O-N 2.82Å |
| 68 | W | 49 | Very low | 49.6 | Very low | 85 Ų | 85 | 73.7 Ų | 73.7 | 32% | 0.322 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -96.2 | -22 | 176.3 | 63 | -100.4 | 0 | 0 | 0 | 112.5 | G65 N122 | G65-W68 PolarHBondContact O-N 3.04Å; G65-W68 PolarHBondContact O-NE1 3.47Å; W68-N122 WeakPolarHBondContact CZ3-ND2 3.4Å |
| 69 | I | 48.4 | Very low | 49.2 | Very low | 38 Ų | 38 | 70.6 Ų | 70.6 | 20% | 0.195 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -76.6 | -43.5 | 171.8 | -61.4 | 166.5 | 0 | 0 | 0 | 110.7 | L52 G65 | L52-I69 HydrophobicContact CD1-CD1 3.96Å; L52-I69 HydrophobicContact CD2-CD1 3.43Å; L52-I69 VanDerWaalsContact CD2-CD1 3.43Å; L52-I69 HydrophobicContact CG-CD1 4.3Å; G65-I69 WeakPolarHBondContact O-CG1 3.47Å; G65-I69 PolarHBondContact O-N 3.04Å |
| 70 | D | 43.4 | Very low | 48.9 | Very low | 48 Ų | 48 | 71 Ų | 71 | 26% | 0.257 | 42% | 0.422 | S | S | . | . | trans | -132.2 | 87.1 | -173.3 | 176.2 | 15.2 | 0 | 0 | 0 | 110.9 | D66 S72 R73 | D66-D70 CarbonylContact O-C 3.43Å; D66-D70 WeakPolarHBondContact O-CA 3.28Å; D66-D70 WeakPolarHBondContact O-CB 3.43Å; D66-D70 PolarHBondContact O-N 3.23Å; D70-S72 PolarHBondContact O-N 3.47Å; D70-S72 WeakPolarHBondContact OD1-CA 3.48Å; D70-S72 WeakPolarHBondContact OD1-CB 3.42Å; D70-S72 PolarHBondContact OD1-N 3.35Å; D70-S72 PolarHBondContact OD1-OG 3.47Å; D70-S72 PolarHBondContact OD2-OG 3.24Å; D70-R73 HydrophobicContact CB-CG 4.23Å; D70-R73 PolarHBondContact O-N 3.02Å; D70-R73 WeakPolarHBondContact OD2-CG 3.46Å; D70-R73 IonicContact OD2-NE 3.23Å; D70-R73 PolarHBondContact OD2-NE 3.1Å | ||
| 71 | P | 46.1 | Very low | 49.3 | Very low | 83 Ų | 83 | 73.6 Ų | 73.6 | 54% | 0.539 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 1.1 | 176 | 27.4 | -35.4 | 0 | 0 | 0 | 114 | R73 K97 R101 | P71-R73 VanDerWaalsContact C-N 3.32Å; P71-K97 WeakPolarHBondContact O-CE 3.22Å; P71-R101 PolarHBondContact O-NH1 3.03Å |
| 72 | S | 48.6 | Very low | 49.5 | Very low | 62 Ų | 62 | 72.6 Ų | 72.6 | 43% | 0.434 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -34.5 | 166.7 | 88.1 | 0 | 0 | 0 | 0 | 111.8 | D70 | D70-S72 PolarHBondContact O-N 3.47Å; D70-S72 WeakPolarHBondContact OD1-CA 3.48Å; D70-S72 WeakPolarHBondContact OD1-CB 3.42Å; D70-S72 PolarHBondContact OD1-N 3.35Å; D70-S72 PolarHBondContact OD1-OG 3.47Å; D70-S72 PolarHBondContact OD2-OG 3.24Å |
| 73 | R | 43.4 | Very low | 50.3 | Low | 106 Ų | 106 | 73.9 Ų | 73.9 | 40% | 0.4 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -72.3 | 158.8 | -176.7 | -56.2 | -123.2 | -169 | 135.2 | 26.9 | 111.7 | D66 D70 P71 K97 | D66-R73 IonicContact OD1-CZ 3.13Å; D66-R73 VanDerWaalsContact OD1-CZ 3.23Å; D66-R73 IonicContact OD1-NH1 3.23Å; D66-R73 IonicContact OD1-NH2 2.67Å; D66-R73 PolarHBondContact OD1-NH2 2.74Å; D66-R73 IonicContact OD2-CZ 3.13Å; D66-R73 VanDerWaalsContact OD2-CZ 3.23Å; D66-R73 IonicContact OD2-NH1 3.53Å; D66-R73 PolarHBondContact OD2-NH1 2.85Å; D66-R73 IonicContact OD2-NH2 3.81Å; D66-R73 PolarHBondContact OD2-NH2 3.29Å; D70-R73 HydrophobicContact CB-CG 4.23Å; D70-R73 PolarHBondContact O-N 3.02Å; D70-R73 WeakPolarHBondContact OD2-CG 3.46Å; D70-R73 IonicContact OD2-NE 3.23Å; D70-R73 PolarHBondContact OD2-NE 3.1Å; P71-R73 VanDerWaalsContact C-N 3.32Å; R73-K97 PolarHBondContact O-NZ 3.48Å |
| 74 | N | 47.5 | Very low | 50.6 | Low | 116 Ų | 116 | 79.7 Ų | 79.7 | 62% | 0.62 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -84.4 | 140 | 171.7 | -69.2 | -18.5 | 0 | 0 | 0 | 109.6 | I76 K97 | N74-I76 PolarHBondContact O-N 2.81Å; N74-K97 PolarHBondContact OD1-NZ 3.22Å |
| 75 | P | 48.2 | Very low | 50.9 | Low | 61 Ų | 61 | 82.2 Ų | 82.2 | 40% | 0.396 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 139.4 | 168.6 | 27.6 | -33.3 | 0 | 0 | 0 | 108.6 | E93 | P75-E93 WeakPolarHBondContact CG-OE2 3.4Š|
| 76 | I | 53.2 | Low | 51.3 | Low | 73 Ų | 73 | 89.4 Ų | 89.4 | 37% | 0.374 | 47% | 0.469 | S | S | . | . | trans | -110.2 | 93 | 176.3 | -58.3 | 177.7 | 0 | 0 | 0 | 105.6 | N74 R84 | N74-I76 PolarHBondContact O-N 2.81Å; I76-R84 HydrophobicContact CG2-CB 4.24Å; I76-R84 HydrophobicContact CG2-CG 3.59Å | ||
| 77 | E | 50.2 | Low | 51.6 | Low | 87 Ų | 87 | 90.7 Ų | 90.7 | 41% | 0.407 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 149.2 | 167.3 | -69.7 | -150.8 | 128.9 | 0 | 0 | 110.2 | R84 D85 I89 | E77-R84 WeakPolarHBondContact O-CA 3.22Å; E77-D85 PolarHBondContact O-N 3.41Å; E77-I89 WeakPolarHBondContact OE2-CD1 3.27Å |
| 78 | V | 50.1 | Low | 51.8 | Low | 81 Ų | 81 | 86.5 Ų | 86.5 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 126.1 | -176.9 | -175.7 | 0 | 0 | 0 | 0 | 107.7 | G82 N83 | V78-G82 VanDerWaalsContact CG1-C 3.47Å; V78-G82 VanDerWaalsContact CG1-CA 3.5Å; V78-N83 CarbonylContact C-O 3.51Å; V78-N83 VanDerWaalsContact CA-O 3.27Å; V78-N83 WeakPolarHBondContact CA-O 3.32Å |
| 79 | D | 58 | Low | 51.7 | Low | 55 Ų | 55 | 85.4 Ų | 85.4 | 29% | 0.294 | 49% | 0.488 | S | S | . | . | trans | -64.3 | 172.6 | 178.9 | 75.5 | 4.6 | 0 | 0 | 0 | 111.8 | N81 G82 N83 | D79-N81 PolarHBondContact O-N 3.41Å; D79-N81 WeakPolarHBondContact OD1-CA 3.3Å; D79-N81 VanDerWaalsContact OD1-CB 3.32Å; D79-N81 WeakPolarHBondContact OD1-CB 3.38Å; D79-N81 PolarHBondContact OD1-N 3.02Å; D79-G82 PolarHBondContact O-N 2.81Å; D79-G82 PolarHBondContact OD1-N 2.8Å; D79-N83 PolarHBondContact N-O 3.07Å; D79-N83 PolarHBondContact OD1-N 3.14Å; D79-N83 PolarHBondContact OD1-ND2 2.98Å; D79-N83 WeakPolarHBondContact OD2-CB 3.16Å; D79-N83 PolarHBondContact OD2-ND2 2.73Å | ||
| 80 | S | 60.7 | Low | 51.7 | Low | 123 Ų | 123 | 88.9 Ų | 88.9 | 86% | 0.86 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 0.8 | 176.3 | 52.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 81 | N | 61.9 | Low | 51.9 | Low | 125 Ų | 125 | 93.4 Ų | 93.4 | 67% | 0.668 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.3 | -1.4 | -171.1 | -65.9 | 74.4 | 0 | 0 | 0 | 112.8 | D79 | D79-N81 PolarHBondContact O-N 3.41Å; D79-N81 WeakPolarHBondContact OD1-CA 3.3Å; D79-N81 VanDerWaalsContact OD1-CB 3.32Å; D79-N81 WeakPolarHBondContact OD1-CB 3.38Å; D79-N81 PolarHBondContact OD1-N 3.02Å |
| 82 | G | 58.6 | Low | 52.1 | Low | 58 Ų | 58 | 94.4 Ų | 94.4 | 60% | 0.598 | 54% | 0.535 | S | S | * | . | S | Bend | trans | 94 | 7.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116 | V78 D79 | V78-G82 VanDerWaalsContact CG1-C 3.47Å; V78-G82 VanDerWaalsContact CG1-CA 3.5Å; D79-G82 PolarHBondContact O-N 2.81Å; D79-G82 PolarHBondContact OD1-N 2.8Å |
| 83 | N | 61 | Low | 52.2 | Low | 94 Ų | 94 | 95.6 Ų | 95.6 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | trans | -98 | 156.4 | 179.9 | -41.8 | -78.8 | 0 | 0 | 0 | 111.3 | V78 D79 D85 | V78-N83 CarbonylContact C-O 3.51Å; V78-N83 VanDerWaalsContact CA-O 3.27Å; V78-N83 WeakPolarHBondContact CA-O 3.32Å; D79-N83 PolarHBondContact N-O 3.07Å; D79-N83 PolarHBondContact OD1-N 3.14Å; D79-N83 PolarHBondContact OD1-ND2 2.98Å; D79-N83 WeakPolarHBondContact OD2-CB 3.16Å; D79-N83 PolarHBondContact OD2-ND2 2.73Å; N83-D85 PolarHBondContact O-N 3.27Å | ||
| 84 | R | 56.8 | Low | 52.5 | Low | 169 Ų | 169 | 92.6 Ų | 92.6 | 64% | 0.638 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 123 | 175.8 | -60.7 | -174.4 | 173.9 | 172.4 | -3.4 | 111 | I76 E77 | I76-R84 HydrophobicContact CG2-CB 4.24Å; I76-R84 HydrophobicContact CG2-CG 3.59Å; E77-R84 WeakPolarHBondContact O-CA 3.22Å |
| 85 | D | 53.9 | Low | 52.6 | Low | 73 Ų | 73 | 90.8 Ų | 90.8 | 39% | 0.39 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 102.1 | 166.5 | -167.4 | -29 | 0 | 0 | 0 | 108.7 | E77 N83 G87 A88 | E77-D85 PolarHBondContact O-N 3.41Å; N83-D85 PolarHBondContact O-N 3.27Å; D85-G87 VanDerWaalsContact C-N 3.3Å; D85-G87 WeakPolarHBondContact OD1-CA 3.24Å; D85-G87 PolarHBondContact OD1-N 3.38Å; D85-A88 PolarHBondContact OD1-N 2.89Å |
| 86 | E | 51.9 | Low | 52.7 | Low | 153 Ų | 153 | 90.9 Ų | 90.9 | 72% | 0.715 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -86.9 | 3.3 | 176 | -61.5 | -171.2 | 168 | 0 | 0 | 112.7 | L90 | E86-L90 WeakPolarHBondContact O-CD1 3.14Å; E86-L90 WeakPolarHBondContact O-CG 3.46Å |
| 87 | G | 47.6 | Very low | 52.4 | Low | 54 Ų | 54 | 90 Ų | 90 | 56% | 0.557 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -114.4 | -38.4 | -166 | 0 | 0 | 0 | 0 | 0 | 116.5 | D85 I89 | D85-G87 VanDerWaalsContact C-N 3.3Å; D85-G87 WeakPolarHBondContact OD1-CA 3.24Å; D85-G87 PolarHBondContact OD1-N 3.38Å; G87-I89 PolarHBondContact O-N 3.21Å |
| 88 | A | 50 | Low | 52.6 | Low | 72 Ų | 72 | 91.3 Ų | 91.3 | 60% | 0.595 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -68.1 | -39.8 | -160.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | D85 | D85-A88 PolarHBondContact OD1-N 2.89Š|
| 89 | I | 45.8 | Very low | 52.8 | Low | 63 Ų | 63 | 96.5 Ų | 96.5 | 32% | 0.323 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -116.3 | -2.5 | -165.7 | -58.1 | -164.8 | 0 | 0 | 0 | 114 | E77 G87 D91 V92 E93 | E77-I89 WeakPolarHBondContact OE2-CD1 3.27Å; G87-I89 PolarHBondContact O-N 3.21Å; I89-D91 PolarHBondContact O-N 3.48Å; I89-D91 VanDerWaalsContact O-N 3.07Å; I89-V92 PolarHBondContact O-N 3.01Å; I89-V92 VanDerWaalsContact O-N 3.1Å; I89-E93 HydrophobicContact CG2-CB 3.92Å; I89-E93 HydrophobicContact CG2-CG 3.51Å; I89-E93 PolarHBondContact O-N 3.38Å; I89-E93 VanDerWaalsContact O-N 3.14Å |
| 90 | L | 48.1 | Very low | 52.7 | Low | 110 Ų | 110 | 101.6 Ų | 101.6 | 58% | 0.576 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -44.5 | -48.7 | -172.9 | -79.4 | -179.7 | 0 | 0 | 0 | 115.1 | E86 A94 | E86-L90 WeakPolarHBondContact O-CD1 3.14Å; E86-L90 WeakPolarHBondContact O-CG 3.46Å; L90-A94 WeakPolarHBondContact O-CB 3.49Å; L90-A94 PolarHBondContact O-N 3.13Å |
| 91 | D | 48.3 | Very low | 52.2 | Low | 144 Ų | 144 | 99.9 Ų | 99.9 | 77% | 0.77 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.5 | -36.6 | -174.8 | -82.1 | -9.5 | 0 | 0 | 0 | 113.7 | I89 S95 | I89-D91 PolarHBondContact O-N 3.48Å; I89-D91 VanDerWaalsContact O-N 3.07Å; D91-S95 WeakPolarHBondContact O-CB 3.46Å; D91-S95 PolarHBondContact O-N 2.72Å; D91-S95 PolarHBondContact O-OG 3.3Å |
| 92 | V | 51 | Low | 52 | Low | 103 Ų | 103 | 96.2 Ų | 96.2 | 62% | 0.624 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -80.8 | -49.3 | -175.6 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | I89 S95 C96 | I89-V92 PolarHBondContact O-N 3.01Å; I89-V92 VanDerWaalsContact O-N 3.1Å; V92-S95 WeakPolarHBondContact O-CB 3.27Å; V92-S95 PolarHBondContact O-N 3.48Å; V92-C96 PolarHBondContact O-N 2.66Å; V92-C96 VanDerWaalsContact O-N 3.1Å |
| 93 | E | 49 | Very low | 51.7 | Low | 87 Ų | 87 | 96 Ų | 96 | 41% | 0.407 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -73.7 | -31.9 | 179.6 | -82.4 | -172.9 | 179.4 | 0 | 0 | 113.2 | P75 I89 S95 C96 K97 | P75-E93 WeakPolarHBondContact CG-OE2 3.4Å; I89-E93 HydrophobicContact CG2-CB 3.92Å; I89-E93 HydrophobicContact CG2-CG 3.51Å; I89-E93 PolarHBondContact O-N 3.38Å; I89-E93 VanDerWaalsContact O-N 3.14Å; E93-S95 VanDerWaalsContact C-N 3.25Å; E93-S95 PolarHBondContact O-N 2.75Å; E93-C96 PolarHBondContact O-N 3.41Å; E93-K97 WeakPolarHBondContact O-CB 3.42Å; E93-K97 PolarHBondContact O-N 3.49Å |
| 94 | A | 50.5 | Low | 51.4 | Low | 44 Ų | 44 | 95.2 Ų | 95.2 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.9 | -35.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L90 K97 I98 | L90-A94 WeakPolarHBondContact O-CB 3.49Å; L90-A94 PolarHBondContact O-N 3.13Å; A94-K97 PolarHBondContact O-N 3.14Å; A94-I98 WeakPolarHBondContact O-CB 3.39Å; A94-I98 WeakPolarHBondContact O-CD1 3.42Å; A94-I98 VanDerWaalsContact O-CG1 3.24Å; A94-I98 WeakPolarHBondContact O-CG1 3.43Å; A94-I98 PolarHBondContact O-N 3.24Å |
| 95 | S | 50.2 | Low | 51.4 | Low | 77 Ų | 77 | 92.4 Ų | 92.4 | 54% | 0.538 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 175.1 | -63 | 0 | 0 | 0 | 0 | 111.9 | D91 V92 E93 W99 | D91-S95 WeakPolarHBondContact O-CB 3.46Å; D91-S95 PolarHBondContact O-N 2.72Å; D91-S95 PolarHBondContact O-OG 3.3Å; V92-S95 WeakPolarHBondContact O-CB 3.27Å; V92-S95 PolarHBondContact O-N 3.48Å; E93-S95 VanDerWaalsContact C-N 3.25Å; E93-S95 PolarHBondContact O-N 2.75Å; S95-W99 PolarHBondContact O-N 2.64Å |
| 96 | C | 50.4 | Low | 51.6 | Low | 63 Ų | 63 | 97.9 Ų | 97.9 | 43% | 0.426 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 172.6 | -71.3 | 0 | 0 | 0 | 0 | 112 | V92 E93 I98 W99 Y100 | V92-C96 PolarHBondContact O-N 2.66Å; V92-C96 VanDerWaalsContact O-N 3.1Å; E93-C96 PolarHBondContact O-N 3.41Å; C96-I98 PolarHBondContact O-N 3.39Å; C96-W99 PolarHBondContact O-N 3.03Å; C96-W99 VanDerWaalsContact O-N 3.13Å; C96-Y100 HydrophobicContact CB-CD2 4.45Å; C96-Y100 VanDerWaalsContact O-CD2 3.27Å; C96-Y100 WeakPolarHBondContact O-CD2 3.4Å; C96-Y100 PolarHBondContact O-N 2.64Å |
| 97 | K | 46.9 | Very low | 51.8 | Low | 55 Ų | 55 | 95.1 Ų | 95.1 | 24% | 0.239 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -58.9 | -48 | 179.1 | -170.3 | 171.2 | -173.3 | 171.3 | 0 | 110.8 | P71 R73 N74 E93 A94 W99 Y100 R101 | P71-K97 WeakPolarHBondContact O-CE 3.22Å; R73-K97 PolarHBondContact O-NZ 3.48Å; N74-K97 PolarHBondContact OD1-NZ 3.22Å; E93-K97 WeakPolarHBondContact O-CB 3.42Å; E93-K97 PolarHBondContact O-N 3.49Å; A94-K97 PolarHBondContact O-N 3.14Å; K97-W99 VanDerWaalsContact C-N 3.31Å; K97-W99 PolarHBondContact O-N 3.02Å; K97-Y100 PolarHBondContact O-N 3.45Å; K97-R101 VanDerWaalsContact O-CB 3.24Å; K97-R101 WeakPolarHBondContact O-CB 3.34Å; K97-R101 PolarHBondContact O-N 3.28Å |
| 98 | I | 53.5 | Low | 52.3 | Low | 115 Ų | 115 | 96.9 Ų | 96.9 | 59% | 0.59 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -57.8 | -43.3 | 174.8 | -69.9 | 162.4 | 0 | 0 | 0 | 111.2 | A94 C96 R101 T102 | A94-I98 WeakPolarHBondContact O-CB 3.39Å; A94-I98 WeakPolarHBondContact O-CD1 3.42Å; A94-I98 VanDerWaalsContact O-CG1 3.24Å; A94-I98 WeakPolarHBondContact O-CG1 3.43Å; A94-I98 PolarHBondContact O-N 3.24Å; C96-I98 PolarHBondContact O-N 3.39Å; I98-R101 PolarHBondContact O-N 3.44Å; I98-T102 PolarHBondContact O-N 3.31Å; I98-T102 PolarHBondContact O-OG1 2.95Å |
| 99 | W | 54.8 | Low | 52.9 | Low | 189 Ų | 189 | 100.7 Ų | 100.7 | 72% | 0.716 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66 | -47.5 | -179.7 | -165.7 | 70.8 | 0 | 0 | 0 | 112.2 | S95 C96 K97 R101 T102 | S95-W99 PolarHBondContact O-N 2.64Å; C96-W99 PolarHBondContact O-N 3.03Å; C96-W99 VanDerWaalsContact O-N 3.13Å; K97-W99 VanDerWaalsContact C-N 3.31Å; K97-W99 PolarHBondContact O-N 3.02Å; W99-R101 VanDerWaalsContact C-N 3.32Å; W99-R101 PolarHBondContact O-N 3.17Å; W99-T102 PolarHBondContact O-N 3.32Å |
| 100 | Y | 54.9 | Low | 53.6 | Low | 163 Ų | 163 | 102.3 Ų | 102.3 | 64% | 0.639 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.4 | -30.5 | 175.2 | -79.5 | -67.3 | 0 | 0 | 0 | 113.5 | C96 K97 P103 F104 | C96-Y100 HydrophobicContact CB-CD2 4.45Å; C96-Y100 VanDerWaalsContact O-CD2 3.27Å; C96-Y100 WeakPolarHBondContact O-CD2 3.4Å; C96-Y100 PolarHBondContact O-N 2.64Å; K97-Y100 PolarHBondContact O-N 3.45Å; Y100-P103 WeakPolarHBondContact O-CD 3.48Å; Y100-F104 VanDerWaalsContact O-CD2 3.27Å; Y100-F104 WeakPolarHBondContact O-CD2 3.44Å; Y100-F104 WeakPolarHBondContact O-CE2 3.43Å |
| 101 | R | 51.6 | Low | 53.8 | Low | 86 Ų | 86 | 99.3 Ų | 99.3 | 33% | 0.325 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -79 | -24.2 | 177.5 | -135.5 | 178.7 | 170 | 127.7 | 3.8 | 113.8 | P71 K97 I98 W99 P103 F104 D105 | P71-R101 PolarHBondContact O-NH1 3.03Å; K97-R101 VanDerWaalsContact O-CB 3.24Å; K97-R101 WeakPolarHBondContact O-CB 3.34Å; K97-R101 PolarHBondContact O-N 3.28Å; I98-R101 PolarHBondContact O-N 3.44Å; W99-R101 VanDerWaalsContact C-N 3.32Å; W99-R101 PolarHBondContact O-N 3.17Å; R101-P103 VanDerWaalsContact C-CD 3.44Å; R101-P103 VanDerWaalsContact C-N 3.3Å; R101-P103 VanDerWaalsContact O-N 3.13Å; R101-F104 PolarHBondContact O-N 2.74Å; R101-D105 WeakPolarHBondContact CD-OD2 3.39Å; R101-D105 WeakPolarHBondContact CG-OD1 3.39Å; R101-D105 VanDerWaalsContact CG-OD2 3.25Å; R101-D105 WeakPolarHBondContact CG-OD2 3.44Å; R101-D105 IonicContact NE-OD1 3.33Å; R101-D105 PolarHBondContact NE-OD1 2.93Å; R101-D105 VanDerWaalsContact NE-OD1 3.13Å; R101-D105 IonicContact NE-OD2 2.78Å; R101-D105 PolarHBondContact O-N 2.9Å |
| 102 | T | 56.3 | Low | 54.3 | Low | 48 Ų | 48 | 97.4 Ų | 97.4 | 29% | 0.294 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -35.1 | -173.8 | -68 | 0 | 0 | 0 | 0 | 114.7 | I98 W99 R106 | I98-T102 PolarHBondContact O-N 3.31Å; I98-T102 PolarHBondContact O-OG1 2.95Å; W99-T102 PolarHBondContact O-N 3.32Å; T102-R106 WeakPolarHBondContact O-CB 3.32Å; T102-R106 VanDerWaalsContact O-CD 3.29Å; T102-R106 WeakPolarHBondContact O-CD 3.29Å; T102-R106 WeakPolarHBondContact O-CG 3.06Å |
| 103 | P | 53.2 | Low | 54.8 | Low | 54 Ų | 54 | 98 Ų | 98 | 35% | 0.351 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -46.6 | 170.2 | -20 | 34 | 0 | 0 | 0 | 113.3 | Y100 R101 R106 D107 F110 | Y100-P103 WeakPolarHBondContact O-CD 3.48Å; R101-P103 VanDerWaalsContact C-CD 3.44Å; R101-P103 VanDerWaalsContact C-N 3.3Å; R101-P103 VanDerWaalsContact O-N 3.13Å; P103-R106 PolarHBondContact O-N 2.92Å; P103-D107 PolarHBondContact O-N 3.44Å; P103-F110 HydrophobicContact CB-CD1 4.09Å; P103-F110 HydrophobicContact CB-CE1 3.96Å |
| 104 | F | 53.7 | Low | 55.4 | Low | 78 Ų | 78 | 94.6 Ų | 94.6 | 34% | 0.342 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -40.9 | -175.9 | -63.3 | -102.6 | 0 | 0 | 0 | 112.8 | Y100 R101 R106 F110 C111 | Y100-F104 VanDerWaalsContact O-CD2 3.27Å; Y100-F104 WeakPolarHBondContact O-CD2 3.44Å; Y100-F104 WeakPolarHBondContact O-CE2 3.43Å; R101-F104 PolarHBondContact O-N 2.74Å; F104-R106 VanDerWaalsContact C-N 3.27Å; F104-R106 PolarHBondContact O-N 2.89Å; F104-F110 HydrophobicContact CD2-CE1 4.4Å; F104-F110 HydrophobicContact CE1-CE1 4.36Å; F104-F110 HydrophobicContact CE2-CE1 4.12Å; F104-F110 HydrophobicContact CZ-CE1 4.09Å; F104-C111 HydrophobicContact CB-CB 4.34Å; F104-C111 HydrophobicContact CD1-CB 4.11Å |
| 105 | D | 57 | Low | 55.8 | Low | 109 Ų | 109 | 98 Ų | 98 | 58% | 0.583 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -13.3 | 179 | -67.1 | -22.1 | 0 | 0 | 0 | 112.7 | R101 | R101-D105 WeakPolarHBondContact CD-OD2 3.39Å; R101-D105 WeakPolarHBondContact CG-OD1 3.39Å; R101-D105 VanDerWaalsContact CG-OD2 3.25Å; R101-D105 WeakPolarHBondContact CG-OD2 3.44Å; R101-D105 IonicContact NE-OD1 3.33Å; R101-D105 PolarHBondContact NE-OD1 2.93Å; R101-D105 VanDerWaalsContact NE-OD1 3.13Å; R101-D105 IonicContact NE-OD2 2.78Å; R101-D105 PolarHBondContact O-N 2.9Å |
| 106 | R | 59.7 | Low | 56.6 | Low | 188 Ų | 188 | 100.7 Ų | 100.7 | 71% | 0.709 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -46.5 | 176.1 | -75.8 | 179.2 | -175.9 | -165.1 | 3.6 | 112.5 | T102 P103 F104 P108 | T102-R106 WeakPolarHBondContact O-CB 3.32Å; T102-R106 VanDerWaalsContact O-CD 3.29Å; T102-R106 WeakPolarHBondContact O-CD 3.29Å; T102-R106 WeakPolarHBondContact O-CG 3.06Å; P103-R106 PolarHBondContact O-N 2.92Å; F104-R106 VanDerWaalsContact C-N 3.27Å; F104-R106 PolarHBondContact O-N 2.89Å; R106-P108 WeakPolarHBondContact O-CD 3.44Å |
| 107 | D | 56.1 | Low | 57.8 | Low | 96 Ų | 96 | 102.7 Ų | 102.7 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | trans | -115.5 | 90.6 | -173 | -63 | -47.3 | 0 | 0 | 0 | 109.8 | P103 E109 F110 C111 | P103-D107 PolarHBondContact O-N 3.44Å; D107-E109 PolarHBondContact O-N 2.76Å; D107-F110 HydrophobicContact CB-CB 3.74Å; D107-F110 WeakPolarHBondContact O-CA 3.45Å; D107-F110 VanDerWaalsContact O-CB 3.3Å; D107-F110 WeakPolarHBondContact O-CB 3.32Å; D107-F110 PolarHBondContact O-N 2.92Å; D107-C111 PolarHBondContact O-N 3.24Å | ||
| 108 | P | 58.1 | Low | 59.2 | Low | 90 Ų | 90 | 104.2 Ų | 104.2 | 58% | 0.584 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.4 | -26.2 | -177 | 24.4 | -33.9 | 0 | 0 | 0 | 113.2 | R106 C111 N112 | R106-P108 WeakPolarHBondContact O-CD 3.44Å; P108-C111 WeakPolarHBondContact O-CB 3.29Å; P108-C111 PolarHBondContact O-N 2.68Å; P108-N112 PolarHBondContact O-N 3.21Å; P108-N112 VanDerWaalsContact O-N 3.07Å |
| 109 | E | 62.7 | Low | 60.1 | Low | 153 Ų | 153 | 101.5 Ų | 101.5 | 72% | 0.715 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.3 | -38.5 | 170.8 | -64.6 | -179 | -174 | 0 | 0 | 111.9 | D107 C111 N112 N113 | D107-E109 PolarHBondContact O-N 2.76Å; E109-C111 VanDerWaalsContact C-N 3.31Å; E109-N112 PolarHBondContact O-N 2.86Å; E109-N113 WeakPolarHBondContact O-CB 3.09Å; E109-N113 PolarHBondContact O-N 3.29Å; E109-N113 VanDerWaalsContact O-N 3.08Å; E109-N113 PolarHBondContact O-ND2 2.84Å |
| 110 | F | 59.1 | Low | 61 | Low | 96 Ų | 96 | 99.5 Ų | 99.5 | 42% | 0.421 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.3 | -37.4 | 172.4 | -178.3 | -95.8 | 0 | 0 | 0 | 111 | P103 F104 D107 S114 | P103-F110 HydrophobicContact CB-CD1 4.09Å; P103-F110 HydrophobicContact CB-CE1 3.96Å; F104-F110 HydrophobicContact CD2-CE1 4.4Å; F104-F110 HydrophobicContact CE1-CE1 4.36Å; F104-F110 HydrophobicContact CE2-CE1 4.12Å; F104-F110 HydrophobicContact CZ-CE1 4.09Å; D107-F110 HydrophobicContact CB-CB 3.74Å; D107-F110 WeakPolarHBondContact O-CA 3.45Å; D107-F110 VanDerWaalsContact O-CB 3.3Å; D107-F110 WeakPolarHBondContact O-CB 3.32Å; D107-F110 PolarHBondContact O-N 2.92Å; F110-S114 VanDerWaalsContact CE1-OG 3.29Å; F110-S114 WeakPolarHBondContact CE1-OG 3.23Å; F110-S114 WeakPolarHBondContact CZ-OG 3.47Å; F110-S114 WeakPolarHBondContact O-CB 3.3Å; F110-S114 PolarHBondContact O-N 3.49Å; F110-S114 PolarHBondContact O-OG 2.8Å |
| 111 | C | 53.3 | Low | 62 | Low | 47 Ų | 47 | 96.3 Ų | 96.3 | 32% | 0.318 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.4 | -50.1 | 175.3 | -172.5 | 0 | 0 | 0 | 0 | 112.1 | F104 D107 P108 E109 S114 Y115 | F104-C111 HydrophobicContact CB-CB 4.34Å; F104-C111 HydrophobicContact CD1-CB 4.11Å; D107-C111 PolarHBondContact O-N 3.24Å; P108-C111 WeakPolarHBondContact O-CB 3.29Å; P108-C111 PolarHBondContact O-N 2.68Å; E109-C111 VanDerWaalsContact C-N 3.31Å; C111-S114 PolarHBondContact O-N 2.75Å; C111-Y115 WeakPolarHBondContact O-CB 3.37Å; C111-Y115 PolarHBondContact O-N 3.23Å |
| 112 | N | 57.9 | Low | 62.9 | Low | 105 Ų | 105 | 94.1 Ų | 94.1 | 56% | 0.561 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.7 | -48.9 | 179.3 | -71 | -13.6 | 0 | 0 | 0 | 112 | P108 E109 S114 Y115 H116 | P108-N112 PolarHBondContact O-N 3.21Å; P108-N112 VanDerWaalsContact O-N 3.07Å; E109-N112 PolarHBondContact O-N 2.86Å; N112-S114 VanDerWaalsContact C-N 3.32Å; N112-S114 PolarHBondContact O-N 3.3Å; N112-Y115 PolarHBondContact O-N 3.24Å; N112-H116 PolarHBondContact O-CD2 2.93Å; N112-H116 PolarHBondContact O-N 3.49Å |
| 113 | N | 61.2 | Low | 63.9 | Low | 114 Ų | 114 | 95.2 Ų | 95.2 | 61% | 0.61 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.1 | -39.6 | 178.5 | -71.7 | -36.5 | 0 | 0 | 0 | 112 | E109 L117 | E109-N113 WeakPolarHBondContact O-CB 3.09Å; E109-N113 PolarHBondContact O-N 3.29Å; E109-N113 VanDerWaalsContact O-N 3.08Å; E109-N113 PolarHBondContact O-ND2 2.84Å; N113-L117 PolarHBondContact O-N 2.84Å; N113-L117 VanDerWaalsContact O-N 3.1Å |
| 114 | S | 62.9 | Low | 65.1 | Low | 17 Ų | 17 | 97 Ų | 97 | 12% | 0.119 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -70.9 | -31.8 | 177.4 | -61.9 | 0 | 0 | 0 | 0 | 112.9 | F110 C111 N112 L117 L118 | F110-S114 VanDerWaalsContact CE1-OG 3.29Å; F110-S114 WeakPolarHBondContact CE1-OG 3.23Å; F110-S114 WeakPolarHBondContact CZ-OG 3.47Å; F110-S114 WeakPolarHBondContact O-CB 3.3Å; F110-S114 PolarHBondContact O-N 3.49Å; F110-S114 PolarHBondContact O-OG 2.8Å; C111-S114 PolarHBondContact O-N 2.75Å; N112-S114 VanDerWaalsContact C-N 3.32Å; N112-S114 PolarHBondContact O-N 3.3Å; S114-L117 PolarHBondContact O-N 2.81Å; S114-L118 VanDerWaalsContact O-CB 3.22Å; S114-L118 WeakPolarHBondContact O-CB 3.42Å; S114-L118 PolarHBondContact O-N 3.24Å |
| 115 | Y | 58.7 | Low | 66 | Low | 115 Ų | 115 | 96 Ų | 96 | 45% | 0.451 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.6 | -43 | 175.4 | -174 | -102.7 | 0 | 0 | 0 | 111.6 | C111 N112 L118 N119 | C111-Y115 WeakPolarHBondContact O-CB 3.37Å; C111-Y115 PolarHBondContact O-N 3.23Å; N112-Y115 PolarHBondContact O-N 3.24Å; Y115-L118 PolarHBondContact O-N 2.85Å; Y115-N119 VanDerWaalsContact CE1-ND2 3.34Å; Y115-N119 WeakPolarHBondContact CE1-ND2 3.33Å; Y115-N119 WeakPolarHBondContact O-CB 3.28Å; Y115-N119 PolarHBondContact O-N 3.22Å |
| 116 | H | 66.2 | Low | 66.9 | Low | 133 Ų | 133 | 94.5 Ų | 94.5 | 62% | 0.616 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.3 | -41.6 | 172.9 | -68.5 | -63.8 | 0 | 0 | 0 | 112.2 | N112 R120 | N112-H116 PolarHBondContact O-CD2 2.93Å; N112-H116 PolarHBondContact O-N 3.49Å; H116-R120 WeakPolarHBondContact O-CB 3.45Å; H116-R120 PolarHBondContact O-N 3.39Å |
| 117 | L | 76.1 | Confident | 67.8 | Low | 105 Ų | 105 | 88.3 Ų | 88.3 | 55% | 0.55 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 175.4 | 179.5 | 60.3 | 0 | 0 | 0 | 112.3 | N113 S114 R120 L121 | N113-L117 PolarHBondContact O-N 2.84Å; N113-L117 VanDerWaalsContact O-N 3.1Å; S114-L117 PolarHBondContact O-N 2.81Å; L117-R120 PolarHBondContact O-N 3.48Å; L117-L121 HydrophobicContact CD1-CD1 4.19Å; L117-L121 HydrophobicContact CD1-CG 4.2Å; L117-L121 HydrophobicContact CG-CD1 4.01Å; L117-L121 HydrophobicContact CG-CG 4.45Å; L117-L121 WeakPolarHBondContact O-CB 3.24Å; L117-L121 VanDerWaalsContact O-CG 3.31Å; L117-L121 WeakPolarHBondContact O-CG 3.45Å; L117-L121 PolarHBondContact O-N 2.86Å |
| 118 | L | 75.8 | Confident | 68.9 | Low | 87 Ų | 87 | 89.2 Ų | 89.2 | 46% | 0.455 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.8 | -44.5 | -179.1 | -173.6 | 65.4 | 0 | 0 | 0 | 111.2 | S114 Y115 R120 L121 N122 | S114-L118 VanDerWaalsContact O-CB 3.22Å; S114-L118 WeakPolarHBondContact O-CB 3.42Å; S114-L118 PolarHBondContact O-N 3.24Å; Y115-L118 PolarHBondContact O-N 2.85Å; L118-R120 VanDerWaalsContact C-N 3.35Å; L118-R120 PolarHBondContact O-N 2.84Å; L118-L121 PolarHBondContact O-N 3.1Å; L118-N122 WeakPolarHBondContact O-CB 3.45Å; L118-N122 PolarHBondContact O-N 3.32Å |
| 119 | N | 72.7 | Confident | 69.7 | Low | 59 Ų | 59 | 86.6 Ų | 86.6 | 32% | 0.316 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 171.1 | -87.1 | -18.7 | 0 | 0 | 0 | 111.5 | Y115 L121 N122 E123 | Y115-N119 VanDerWaalsContact CE1-ND2 3.34Å; Y115-N119 WeakPolarHBondContact CE1-ND2 3.33Å; Y115-N119 WeakPolarHBondContact O-CB 3.28Å; Y115-N119 PolarHBondContact O-N 3.22Å; N119-L121 PolarHBondContact O-N 3.4Å; N119-N122 PolarHBondContact O-N 3.13Å; N119-E123 WeakPolarHBondContact O-CG 3.42Å; N119-E123 PolarHBondContact O-N 3.4Å |
| 120 | R | 73.6 | Confident | 70.4 | Confident | 146 Ų | 146 | 84.4 Ų | 84.4 | 55% | 0.551 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.9 | -38 | 178.6 | -169.4 | 57.2 | 167.7 | -178.1 | -2.5 | 112.5 | H116 L117 L118 L124 | H116-R120 WeakPolarHBondContact O-CB 3.45Å; H116-R120 PolarHBondContact O-N 3.39Å; L117-R120 PolarHBondContact O-N 3.48Å; L118-R120 VanDerWaalsContact C-N 3.35Å; L118-R120 PolarHBondContact O-N 2.84Å; R120-L124 HydrophobicContact CG-CD1 4.44Å; R120-L124 WeakPolarHBondContact O-CB 3.42Å; R120-L124 VanDerWaalsContact O-CG 3.23Å; R120-L124 WeakPolarHBondContact O-CG 3.37Å; R120-L124 PolarHBondContact O-N 2.75Å |
| 121 | L | 75.2 | Confident | 71.2 | Confident | 96 Ų | 96 | 84.6 Ų | 84.6 | 50% | 0.503 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 173.5 | -73.4 | 170.4 | 0 | 0 | 0 | 112 | L117 L118 N119 L124 A125 | L117-L121 HydrophobicContact CD1-CD1 4.19Å; L117-L121 HydrophobicContact CD1-CG 4.2Å; L117-L121 HydrophobicContact CG-CD1 4.01Å; L117-L121 HydrophobicContact CG-CG 4.45Å; L117-L121 WeakPolarHBondContact O-CB 3.24Å; L117-L121 VanDerWaalsContact O-CG 3.31Å; L117-L121 WeakPolarHBondContact O-CG 3.45Å; L117-L121 PolarHBondContact O-N 2.86Å; L118-L121 PolarHBondContact O-N 3.1Å; N119-L121 PolarHBondContact O-N 3.4Å; L121-L124 PolarHBondContact O-N 3.38Å; L121-A125 WeakPolarHBondContact O-CB 3.43Å; L121-A125 PolarHBondContact O-N 2.89Å |
| 122 | N | 72.2 | Confident | 72.1 | Confident | 40 Ų | 40 | 86.9 Ų | 86.9 | 21% | 0.214 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -67.4 | -44.4 | 176 | -174.3 | 46.8 | 0 | 0 | 0 | 112.3 | W68 L118 N119 L124 A125 K126 | W68-N122 WeakPolarHBondContact CZ3-ND2 3.4Å; L118-N122 WeakPolarHBondContact O-CB 3.45Å; L118-N122 PolarHBondContact O-N 3.32Å; N119-N122 PolarHBondContact O-N 3.13Å; N122-L124 VanDerWaalsContact C-N 3.31Å; N122-L124 PolarHBondContact O-N 3.35Å; N122-A125 WeakPolarHBondContact O-CB 3.28Å; N122-A125 PolarHBondContact O-N 3.42Å; N122-A125 VanDerWaalsContact O-N 3.1Å; N122-K126 WeakPolarHBondContact ND2-CE 3.4Å; N122-K126 WeakPolarHBondContact O-CG 3.43Å; N122-K126 PolarHBondContact O-N 3.01Å |
| 123 | E | 76.6 | Confident | 72.7 | Confident | 72 Ų | 72 | 85.8 Ų | 85.8 | 34% | 0.336 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.3 | -38.8 | 173.2 | -64.3 | -44.3 | 124.5 | 0 | 0 | 111.6 | N119 A125 K126 I127 | N119-E123 WeakPolarHBondContact O-CG 3.42Å; N119-E123 PolarHBondContact O-N 3.4Å; E123-A125 VanDerWaalsContact C-N 3.32Å; E123-A125 PolarHBondContact O-N 2.92Å; E123-K126 PolarHBondContact O-N 3.03Å; E123-K126 IonicContact OE1-NZ 3.75Å; E123-K126 PolarHBondContact OE1-NZ 2.67Å; E123-K126 WeakPolarHBondContact OE2-CD 3.4Å; E123-K126 IonicContact OE2-NZ 3.28Å; E123-K126 PolarHBondContact OE2-NZ 2.93Å; E123-I127 WeakPolarHBondContact O-CB 3.22Å; E123-I127 WeakPolarHBondContact O-CD1 3.46Å; E123-I127 WeakPolarHBondContact O-CG1 3.35Å; E123-I127 PolarHBondContact O-N 2.83Å |
| 124 | L | 77.7 | Confident | 72.9 | Confident | 91 Ų | 91 | 82.6 Ų | 82.6 | 48% | 0.476 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.6 | -35.7 | 172.3 | -73.3 | 168.8 | 0 | 0 | 0 | 112.6 | R120 L121 N122 K128 | R120-L124 HydrophobicContact CG-CD1 4.44Å; R120-L124 WeakPolarHBondContact O-CB 3.42Å; R120-L124 VanDerWaalsContact O-CG 3.23Å; R120-L124 WeakPolarHBondContact O-CG 3.37Å; R120-L124 PolarHBondContact O-N 2.75Å; L121-L124 PolarHBondContact O-N 3.38Å; N122-L124 VanDerWaalsContact C-N 3.31Å; N122-L124 PolarHBondContact O-N 3.35Å; L124-K128 VanDerWaalsContact O-CB 3.27Å; L124-K128 WeakPolarHBondContact O-CB 3.44Å; L124-K128 PolarHBondContact O-N 2.98Å |
| 125 | A | 73.9 | Confident | 73.1 | Confident | 57 Ų | 57 | 84.1 Ų | 84.1 | 47% | 0.471 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68 | -42.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L121 N122 E123 K128 G129 | L121-A125 WeakPolarHBondContact O-CB 3.43Å; L121-A125 PolarHBondContact O-N 2.89Å; N122-A125 WeakPolarHBondContact O-CB 3.28Å; N122-A125 PolarHBondContact O-N 3.42Å; N122-A125 VanDerWaalsContact O-N 3.1Å; E123-A125 VanDerWaalsContact C-N 3.32Å; E123-A125 PolarHBondContact O-N 2.92Å; A125-K128 PolarHBondContact O-N 2.97Å; A125-G129 PolarHBondContact O-N 3.35Å |
| 126 | K | 75.3 | Confident | 73.3 | Confident | 77 Ų | 77 | 84.7 Ų | 84.7 | 34% | 0.335 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.2 | -49.4 | 172.4 | -68.1 | 172.6 | -174.5 | 171.7 | 0 | 111.5 | N122 E123 K128 G129 L130 | N122-K126 WeakPolarHBondContact ND2-CE 3.4Å; N122-K126 WeakPolarHBondContact O-CG 3.43Å; N122-K126 PolarHBondContact O-N 3.01Å; E123-K126 PolarHBondContact O-N 3.03Å; E123-K126 IonicContact OE1-NZ 3.75Å; E123-K126 PolarHBondContact OE1-NZ 2.67Å; E123-K126 WeakPolarHBondContact OE2-CD 3.4Å; E123-K126 IonicContact OE2-NZ 3.28Å; E123-K126 PolarHBondContact OE2-NZ 2.93Å; K126-K128 VanDerWaalsContact C-N 3.31Å; K126-K128 PolarHBondContact O-N 2.89Å; K126-G129 PolarHBondContact O-N 2.92Å; K126-G129 VanDerWaalsContact O-N 3.15Å; K126-L130 WeakPolarHBondContact O-CG 3.19Å; K126-L130 PolarHBondContact O-N 3.28Å |
| 127 | I | 78.4 | Confident | 73.2 | Confident | 59 Ų | 59 | 86.5 Ų | 86.5 | 30% | 0.303 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 177.8 | -71.1 | 164.1 | 0 | 0 | 0 | 110.4 | E123 G129 L130 I131 | E123-I127 WeakPolarHBondContact O-CB 3.22Å; E123-I127 WeakPolarHBondContact O-CD1 3.46Å; E123-I127 WeakPolarHBondContact O-CG1 3.35Å; E123-I127 PolarHBondContact O-N 2.83Å; I127-G129 PolarHBondContact O-N 3.23Å; I127-L130 PolarHBondContact O-N 3.29Å; I127-I131 HydrophobicContact CG2-CD1 3.7Å; I127-I131 HydrophobicContact CG2-CG1 4.43Å; I127-I131 WeakPolarHBondContact O-CB 3.47Å; I127-I131 VanDerWaalsContact O-CG1 3.24Å; I127-I131 WeakPolarHBondContact O-CG1 3.37Å; I127-I131 PolarHBondContact O-N 3.06Å |
| 128 | K | 79.7 | Confident | 72.4 | Confident | 115 Ų | 115 | 90.3 Ų | 90.3 | 50% | 0.5 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 174.5 | -178.5 | -179.4 | 174.2 | -67.5 | 0 | 112 | L124 A125 K126 I131 E132 | L124-K128 VanDerWaalsContact O-CB 3.27Å; L124-K128 WeakPolarHBondContact O-CB 3.44Å; L124-K128 PolarHBondContact O-N 2.98Å; A125-K128 PolarHBondContact O-N 2.97Å; K126-K128 VanDerWaalsContact C-N 3.31Å; K126-K128 PolarHBondContact O-N 2.89Å; K128-I131 PolarHBondContact O-N 3.07Å; K128-E132 WeakPolarHBondContact CE-OE1 3.42Å; K128-E132 IonicContact NZ-OE1 2.69Å; K128-E132 PolarHBondContact NZ-OE1 3.32Å; K128-E132 IonicContact NZ-OE2 3.05Å; K128-E132 PolarHBondContact NZ-OE2 3.37Å; K128-E132 WeakPolarHBondContact O-CG 3.43Å; K128-E132 PolarHBondContact O-N 2.94Å |
| 129 | G | 74.9 | Confident | 71.1 | Confident | 34 Ų | 34 | 93.4 Ų | 93.4 | 35% | 0.351 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A125 K126 I127 E132 E133 | A125-G129 PolarHBondContact O-N 3.35Å; K126-G129 PolarHBondContact O-N 2.92Å; K126-G129 VanDerWaalsContact O-N 3.15Å; I127-G129 PolarHBondContact O-N 3.23Å; G129-E132 PolarHBondContact O-N 3.2Å; G129-E133 PolarHBondContact O-N 3.32Å |
| 130 | L | 77.5 | Confident | 69.7 | Low | 107 Ų | 107 | 94.7 Ų | 94.7 | 56% | 0.56 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66.1 | -36.1 | 175.7 | -69.6 | 169.1 | 0 | 0 | 0 | 112.4 | K126 I127 A134 | K126-L130 WeakPolarHBondContact O-CG 3.19Å; K126-L130 PolarHBondContact O-N 3.28Å; I127-L130 PolarHBondContact O-N 3.29Å; L130-A134 VanDerWaalsContact O-CB 3.23Å; L130-A134 WeakPolarHBondContact O-CB 3.34Å; L130-A134 PolarHBondContact O-N 3.02Å |
| 131 | I | 75.4 | Confident | 68.2 | Low | 100 Ų | 100 | 92.9 Ų | 92.9 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.4 | -39.3 | 172.5 | -71.7 | 166.7 | 0 | 0 | 0 | 110.7 | I127 K128 S135 | I127-I131 HydrophobicContact CG2-CD1 3.7Å; I127-I131 HydrophobicContact CG2-CG1 4.43Å; I127-I131 WeakPolarHBondContact O-CB 3.47Å; I127-I131 VanDerWaalsContact O-CG1 3.24Å; I127-I131 WeakPolarHBondContact O-CG1 3.37Å; I127-I131 PolarHBondContact O-N 3.06Å; K128-I131 PolarHBondContact O-N 3.07Å; I131-S135 VanDerWaalsContact O-CB 3.22Å; I131-S135 WeakPolarHBondContact O-CB 3.45Å; I131-S135 PolarHBondContact O-N 2.99Å; I131-S135 PolarHBondContact O-OG 3.27Å |
| 132 | E | 72.4 | Confident | 66.5 | Low | 95 Ų | 95 | 95.2 Ų | 95.2 | 44% | 0.444 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.4 | -43 | 175.9 | -75.8 | 172.8 | 161.9 | 0 | 0 | 111.2 | K128 G129 S135 L136 | K128-E132 WeakPolarHBondContact CE-OE1 3.42Å; K128-E132 IonicContact NZ-OE1 2.69Å; K128-E132 PolarHBondContact NZ-OE1 3.32Å; K128-E132 IonicContact NZ-OE2 3.05Å; K128-E132 PolarHBondContact NZ-OE2 3.37Å; K128-E132 WeakPolarHBondContact O-CG 3.43Å; K128-E132 PolarHBondContact O-N 2.94Å; G129-E132 PolarHBondContact O-N 3.2Å; E132-S135 PolarHBondContact O-N 3.48Å; E132-L136 WeakPolarHBondContact O-CB 3.35Å; E132-L136 VanDerWaalsContact O-CG 3.25Å; E132-L136 WeakPolarHBondContact O-CG 3.29Å; E132-L136 PolarHBondContact O-N 3.27Å |
| 133 | E | 69.7 | Low | 65 | Low | 82 Ų | 82 | 102.8 Ų | 102.8 | 38% | 0.383 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 173 | -171.4 | -171.9 | 161.3 | 0 | 0 | 112.2 | G129 S135 L136 R137 | G129-E133 PolarHBondContact O-N 3.32Å; E133-S135 VanDerWaalsContact C-N 3.33Å; E133-S135 PolarHBondContact O-N 2.98Å; E133-L136 PolarHBondContact O-N 2.9Å; E133-R137 PolarHBondContact O-N 2.83Å; E133-R137 IonicContact OE1-CZ 2.67Å; E133-R137 IonicContact OE1-NH1 2.68Å; E133-R137 PolarHBondContact OE1-NH1 2.99Å; E133-R137 IonicContact OE1-NH2 3.54Å; E133-R137 PolarHBondContact OE1-NH2 2.74Å |
| 134 | A | 66.3 | Low | 63.2 | Low | 47 Ų | 47 | 105.8 Ų | 105.8 | 39% | 0.388 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.5 | -35.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L130 K138 | L130-A134 VanDerWaalsContact O-CB 3.23Å; L130-A134 WeakPolarHBondContact O-CB 3.34Å; L130-A134 PolarHBondContact O-N 3.02Å; A134-K138 WeakPolarHBondContact O-CG 3.11Å; A134-K138 PolarHBondContact O-N 3.3Å |
| 135 | S | 66.7 | Low | 61.3 | Low | 49 Ų | 49 | 104.6 Ų | 104.6 | 34% | 0.343 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.8 | -42 | 174.3 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | I131 E132 E133 R137 K138 H139 | I131-S135 VanDerWaalsContact O-CB 3.22Å; I131-S135 WeakPolarHBondContact O-CB 3.45Å; I131-S135 PolarHBondContact O-N 2.99Å; I131-S135 PolarHBondContact O-OG 3.27Å; E132-S135 PolarHBondContact O-N 3.48Å; E133-S135 VanDerWaalsContact C-N 3.33Å; E133-S135 PolarHBondContact O-N 2.98Å; S135-R137 VanDerWaalsContact C-N 3.33Å; S135-R137 PolarHBondContact O-N 2.91Å; S135-K138 CarbonylContact O-C 3.56Å; S135-K138 PolarHBondContact O-N 3.39Å; S135-K138 VanDerWaalsContact O-N 3.15Å; S135-H139 WeakPolarHBondContact O-CB 3.36Å; S135-H139 PolarHBondContact O-CD2 3.2Å; S135-H139 PolarHBondContact O-N 3.36Å |
| 136 | L | 63.7 | Low | 59.6 | Low | 127 Ų | 127 | 109.8 Ų | 109.8 | 67% | 0.665 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.9 | -39.9 | 174 | -73.7 | 168 | 0 | 0 | 0 | 111.6 | E132 E133 H139 S140 | E132-L136 WeakPolarHBondContact O-CB 3.35Å; E132-L136 VanDerWaalsContact O-CG 3.25Å; E132-L136 WeakPolarHBondContact O-CG 3.29Å; E132-L136 PolarHBondContact O-N 3.27Å; E133-L136 PolarHBondContact O-N 2.9Å; L136-H139 CarbonylContact O-C 3.59Å; L136-H139 PolarHBondContact O-N 3.08Å; L136-S140 PolarHBondContact O-N 3.28Å; L136-S140 VanDerWaalsContact O-N 3.16Å |
| 137 | R | 63 | Low | 57.7 | Low | 171 Ų | 171 | 112.8 Ų | 112.8 | 65% | 0.645 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.1 | -40.3 | 171.5 | -75.3 | -169.8 | 178.4 | 110.3 | 13 | 112.7 | E133 S135 H139 S140 | E133-R137 PolarHBondContact O-N 2.83Å; E133-R137 IonicContact OE1-CZ 2.67Å; E133-R137 IonicContact OE1-NH1 2.68Å; E133-R137 PolarHBondContact OE1-NH1 2.99Å; E133-R137 IonicContact OE1-NH2 3.54Å; E133-R137 PolarHBondContact OE1-NH2 2.74Å; S135-R137 VanDerWaalsContact C-N 3.33Å; S135-R137 PolarHBondContact O-N 2.91Å; R137-H139 VanDerWaalsContact C-N 3.31Å; R137-S140 WeakPolarHBondContact O-CB 3.4Å; R137-S140 PolarHBondContact O-N 3.14Å |
| 138 | K | 59.8 | Low | 56.1 | Low | 185 Ų | 185 | 118.4 Ų | 118.4 | 80% | 0.804 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.2 | -26.1 | 174 | -73.4 | -179 | 179.1 | -177.5 | 0 | 113.4 | A134 S135 S140 | A134-K138 WeakPolarHBondContact O-CG 3.11Å; A134-K138 PolarHBondContact O-N 3.3Å; S135-K138 CarbonylContact O-C 3.56Å; S135-K138 PolarHBondContact O-N 3.39Å; S135-K138 VanDerWaalsContact O-N 3.15Å; K138-S140 VanDerWaalsContact C-N 3.32Å |
| 139 | H | 48.8 | Very low | 54.4 | Low | 153 Ų | 153 | 117.3 Ų | 117.3 | 71% | 0.708 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 15.7 | 174.5 | -69.1 | -54.1 | 0 | 0 | 0 | 113.8 | S135 L136 R137 P141 | S135-H139 WeakPolarHBondContact O-CB 3.36Å; S135-H139 PolarHBondContact O-CD2 3.2Å; S135-H139 PolarHBondContact O-N 3.36Å; L136-H139 CarbonylContact O-C 3.59Å; L136-H139 PolarHBondContact O-N 3.08Å; R137-H139 VanDerWaalsContact C-N 3.31Å; H139-P141 VanDerWaalsContact O-CD 3.3Å; H139-P141 WeakPolarHBondContact O-CD 3.33Å |
| 140 | S | 42.9 | Very low | 52.7 | Low | 85 Ų | 85 | 122.7 Ų | 122.7 | 59% | 0.594 | 66% | 0.664 | S | S | * | * | trans | -101.8 | 89.4 | 170 | 170.2 | 0 | 0 | 0 | 0 | 109.8 | L136 R137 K138 N142 | L136-S140 PolarHBondContact O-N 3.28Å; L136-S140 VanDerWaalsContact O-N 3.16Å; R137-S140 WeakPolarHBondContact O-CB 3.4Å; R137-S140 PolarHBondContact O-N 3.14Å; K138-S140 VanDerWaalsContact C-N 3.32Å; S140-N142 PolarHBondContact O-N 3.31Å | ||
| 141 | P | 42.8 | Very low | 50.8 | Low | 109 Ų | 109 | 128.5 Ų | 128.5 | 71% | 0.708 | 68% | 0.679 | S | S | * | * | trans | -98.2 | 100.5 | -169.1 | 19.3 | 1.9 | 0 | 0 | 0 | 110.4 | H139 | H139-P141 VanDerWaalsContact O-CD 3.3Å; H139-P141 WeakPolarHBondContact O-CD 3.33Å | ||
| 142 | N | 39.3 | Very low | 48.9 | Very low | 144 Ų | 144 | 131.8 Ų | 131.8 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | trans | 53.8 | 63.9 | 159.5 | -56.3 | -21.7 | 0 | 0 | 0 | 117.1 | S140 V144 | S140-N142 PolarHBondContact O-N 3.31Å; N142-V144 PolarHBondContact O-N 2.98Å | ||
| 143 | E | 39.4 | Very low | 47.3 | Very low | 199 Ų | 199 | 133 Ų | 133 | 93% | 0.93 | 70% | 0.7 | S | S | * | * | trans | -76.2 | 54.6 | 155.2 | -69.8 | -155.1 | 151.5 | 0 | 0 | 111.3 | ||||
| 144 | V | 39.4 | Very low | 45.5 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 82% | 0.824 | 72% | 0.72 | S | S | * | * | trans | -102.4 | 95.4 | 170.1 | 179.7 | 0 | 0 | 0 | 0 | 107.9 | N142 | N142-V144 PolarHBondContact O-N 2.98Š| ||
| 145 | G | 38.1 | Very low | 44 | Very low | 65 Ų | 65 | 142 Ų | 142 | 67% | 0.67 | 73% | 0.726 | S | S | * | * | trans | 128.9 | 45.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 146 | L | 38.6 | Very low | 42.2 | Very low | 166 Ų | 166 | 144.1 Ų | 144.1 | 87% | 0.869 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -133.8 | 84.3 | 161.8 | -77.8 | -178.4 | 0 | 0 | 0 | 113 | ||
| 147 | N | 34.4 | Very low | 41.2 | Very low | 141 Ų | 141 | 144.9 Ų | 144.9 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | trans | 40.5 | 109.1 | 150.1 | -59.1 | -25 | 0 | 0 | 0 | 119.1 | S149 | N147-S149 PolarHBondContact O-N 3.5Å; N147-S149 VanDerWaalsContact O-N 3.08Å | ||
| 148 | D | 44.7 | Very low | 40 | Very low | 177 Ų | 177 | 143.8 Ų | 143.8 | 95% | 0.947 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 64.1 | -166.2 | -163.9 | 25.5 | 0 | 0 | 0 | 113.7 | ||
| 149 | S | 45.1 | Very low | 38.8 | Very low | 91 Ų | 91 | 138.5 Ų | 138.5 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146 | -50.9 | 178.7 | 59.2 | 0 | 0 | 0 | 0 | 117.2 | N147 | N147-S149 PolarHBondContact O-N 3.5Å; N147-S149 VanDerWaalsContact O-N 3.08Å |
| 150 | D | 39.4 | Very low | 38.1 | Very low | 148 Ų | 148 | 138 Ų | 138 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -112.7 | 27.4 | -157.9 | -69.4 | -72.3 | 0 | 0 | 0 | 115.9 | ||
| 151 | R | 37.4 | Very low | 37.6 | Very low | 229 Ų | 229 | 138.6 Ų | 138.6 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | trans | -120.6 | 103.2 | 169.9 | -73.6 | -168.4 | 170.6 | -162.9 | -3.6 | 112.1 | I153 | R151-I153 PolarHBondContact O-N 2.91Š| ||
| 152 | Q | 35.1 | Very low | 37.2 | Very low | 168 Ų | 168 | 136.2 Ų | 136.2 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | trans | -58.4 | 104 | 165.1 | -65.8 | 171.1 | -2.5 | 0 | 0 | 108.7 | Y154 | Q152-Y154 WeakPolarHBondContact O-CD2 3.27Å; Q152-Y154 PolarHBondContact O-N 3.17Å | ||
| 153 | I | 39 | Very low | 36.9 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 62% | 0.621 | 74% | 0.736 | S | S | * | * | trans | -68.8 | 114.6 | 177.3 | -60.9 | 178.2 | 0 | 0 | 0 | 107.7 | R151 H155 | R151-I153 PolarHBondContact O-N 2.91Å; I153-H155 VanDerWaalsContact C-N 3.32Å; I153-H155 PolarHBondContact O-CD2 2.85Å; I153-H155 PolarHBondContact O-N 3.5Å | ||
| 154 | Y | 32.3 | Very low | 36.8 | Very low | 206 Ų | 206 | 130 Ų | 130 | 81% | 0.808 | 72% | 0.721 | S | S | * | * | trans | -71.1 | 90.7 | 172.3 | -80.1 | -95.9 | 0 | 0 | 0 | 108.9 | Q152 S156 | Q152-Y154 WeakPolarHBondContact O-CD2 3.27Å; Q152-Y154 PolarHBondContact O-N 3.17Å; Y154-S156 PolarHBondContact O-N 3.37Å | ||
| 155 | H | 33.3 | Very low | 36.5 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 52% | 0.519 | 71% | 0.708 | S | S | . | * | trans | -67.3 | 87 | -179.2 | -63.9 | -71.8 | 0 | 0 | 0 | 111.7 | I153 | I153-H155 VanDerWaalsContact C-N 3.32Å; I153-H155 PolarHBondContact O-CD2 2.85Å; I153-H155 PolarHBondContact O-N 3.5Å | ||
| 156 | S | 30 | Very low | 36.6 | Very low | 93 Ų | 93 | 132 Ų | 132 | 65% | 0.65 | 71% | 0.705 | S | S | * | * | trans | -65.5 | 142.4 | 156.4 | 50 | 0 | 0 | 0 | 0 | 109.5 | Y154 L158 S159 | Y154-S156 PolarHBondContact O-N 3.37Å; S156-L158 PolarHBondContact O-N 2.87Å; S156-S159 PolarHBondContact O-N 3.13Å | ||
| 157 | T | 43.3 | Very low | 36.6 | Very low | 143 Ų | 143 | 132.8 Ų | 132.8 | 88% | 0.877 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | 31.3 | -157.7 | 53.1 | 0 | 0 | 0 | 0 | 115.6 | ||
| 158 | L | 37.1 | Very low | 36.5 | Very low | 149 Ų | 149 | 131.3 Ų | 131.3 | 78% | 0.78 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.6 | -0.3 | 175.1 | -70.6 | 173 | 0 | 0 | 0 | 113.4 | S156 V160 | S156-L158 PolarHBondContact O-N 2.87Å; L158-V160 PolarHBondContact O-N 2.74Å |
| 159 | S | 34 | Very low | 36 | Very low | 74 Ų | 74 | 129.6 Ų | 129.6 | 52% | 0.517 | 68% | 0.678 | S | S | . | * | trans | -77.3 | 101.7 | 166.2 | -170.6 | 0 | 0 | 0 | 0 | 109.8 | S156 N161 | S156-S159 PolarHBondContact O-N 3.13Å; S159-N161 VanDerWaalsContact C-N 3.32Å; S159-N161 PolarHBondContact O-N 3.35Å | ||
| 160 | V | 35.5 | Very low | 35.5 | Very low | 142 Ų | 142 | 131.9 Ų | 131.9 | 86% | 0.861 | 68% | 0.682 | S | S | * | * | trans | -67.5 | 96.8 | 163.7 | -179.4 | 0 | 0 | 0 | 0 | 106.8 | L158 G162 | L158-V160 PolarHBondContact O-N 2.74Å; V160-G162 PolarHBondContact O-N 3.15Å | ||
| 161 | N | 32 | Very low | 35.4 | Very low | 98 Ų | 98 | 128.6 Ų | 128.6 | 52% | 0.524 | 67% | 0.671 | S | S | . | * | trans | -65.8 | 92.1 | -173.5 | -122.3 | 34.9 | 0 | 0 | 0 | 110.1 | S159 S163 | S159-N161 VanDerWaalsContact C-N 3.32Å; S159-N161 PolarHBondContact O-N 3.35Å; N161-S163 PolarHBondContact O-N 2.99Å | ||
| 162 | G | 34.2 | Very low | 35.2 | Very low | 59 Ų | 59 | 125 Ų | 125 | 61% | 0.608 | 66% | 0.663 | S | S | * | * | trans | -65.4 | 18.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | V160 M164 | V160-G162 PolarHBondContact O-N 3.15Å; G162-M164 PolarHBondContact O-N 2.86Å | ||
| 163 | S | 33.3 | Very low | 35 | Very low | 88 Ų | 88 | 121.9 Ų | 121.9 | 62% | 0.615 | 66% | 0.658 | S | S | * | * | trans | -74.3 | 56 | 172 | -175.1 | 0 | 0 | 0 | 0 | 111 | N161 | N161-S163 PolarHBondContact O-N 2.99Š| ||
| 164 | M | 37.3 | Very low | 34.6 | Very low | 125 Ų | 125 | 122.4 Ų | 122.4 | 62% | 0.616 | 66% | 0.662 | S | S | * | * | trans | -66.8 | 135.6 | 152.6 | -71 | -144.7 | -69.3 | 0 | 0 | 107.7 | G162 F166 | G162-M164 PolarHBondContact O-N 2.86Å; M164-F166 VanDerWaalsContact C-N 3.27Å; M164-F166 WeakPolarHBondContact O-CD2 3.44Å; M164-F166 PolarHBondContact O-N 2.77Å | ||
| 165 | D | 33.3 | Very low | 34.7 | Very low | 104 Ų | 104 | 123 Ų | 123 | 56% | 0.556 | 66% | 0.663 | S | S | * | * | trans | -69.5 | 80.3 | -178.7 | -72.7 | -58.9 | 0 | 0 | 0 | 111.6 | K167 N168 | D165-K167 PolarHBondContact O-N 3.01Å; D165-N168 HydrophobicContact CB-CB 4.37Å; D165-N168 WeakPolarHBondContact CB-ND2 3.31Å; D165-N168 WeakPolarHBondContact O-CB 3.45Å; D165-N168 PolarHBondContact O-N 3.22Å | ||
| 166 | F | 39.6 | Very low | 35 | Very low | 139 Ų | 139 | 124.7 Ų | 124.7 | 61% | 0.61 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -55.7 | -25 | 177.6 | -72 | -79.1 | 0 | 0 | 0 | 112.6 | M164 N168 F169 L170 | M164-F166 VanDerWaalsContact C-N 3.27Å; M164-F166 WeakPolarHBondContact O-CD2 3.44Å; M164-F166 PolarHBondContact O-N 2.77Å; F166-N168 VanDerWaalsContact C-N 3.31Å; F166-N168 PolarHBondContact O-N 3.18Å; F166-F169 PolarHBondContact O-N 3.04Å; F166-L170 WeakPolarHBondContact O-CG 3.48Å; F166-L170 PolarHBondContact O-N 3.19Å |
| 167 | K | 38.2 | Very low | 35.5 | Very low | 182 Ų | 182 | 126.2 Ų | 126.2 | 79% | 0.791 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -61.1 | -32.4 | 171.2 | -79.5 | 176.1 | 177.9 | 165.8 | 0 | 113.8 | D165 | D165-K167 PolarHBondContact O-N 3.01Å |
| 168 | N | 31.7 | Very low | 35.1 | Very low | 110 Ų | 110 | 127 Ų | 127 | 59% | 0.588 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -76.4 | -35.2 | 176.8 | -70.7 | -29.1 | 0 | 0 | 0 | 111.8 | D165 F166 L170 S171 | D165-N168 HydrophobicContact CB-CB 4.37Å; D165-N168 WeakPolarHBondContact CB-ND2 3.31Å; D165-N168 WeakPolarHBondContact O-CB 3.45Å; D165-N168 PolarHBondContact O-N 3.22Å; F166-N168 VanDerWaalsContact C-N 3.31Å; F166-N168 PolarHBondContact O-N 3.18Å; N168-L170 VanDerWaalsContact C-N 3.32Å; N168-L170 PolarHBondContact O-N 3.32Å; N168-S171 PolarHBondContact O-N 2.74Å; N168-S171 PolarHBondContact O-OG 3.31Å |
| 169 | F | 35.9 | Very low | 35.1 | Very low | 141 Ų | 141 | 128 Ų | 128 | 62% | 0.618 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -69.6 | -28.2 | 176.7 | -75.6 | -80.2 | 0 | 0 | 0 | 113.2 | F166 S171 H172 | F166-F169 PolarHBondContact O-N 3.04Å; F169-S171 PolarHBondContact O-N 2.78Å; F169-H172 PolarHBondContact O-N 3.07Å |
| 170 | L | 34.7 | Very low | 35.4 | Very low | 139 Ų | 139 | 129.5 Ų | 129.5 | 73% | 0.728 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -16.1 | 177.1 | -74.8 | 168.5 | 0 | 0 | 0 | 114.5 | F166 N168 | F166-L170 WeakPolarHBondContact O-CG 3.48Å; F166-L170 PolarHBondContact O-N 3.19Å; N168-L170 VanDerWaalsContact C-N 3.32Å; N168-L170 PolarHBondContact O-N 3.32Å |
| 171 | S | 35.8 | Very low | 35.7 | Very low | 78 Ų | 78 | 126.2 Ų | 126.2 | 55% | 0.545 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.7 | -15.3 | -179.8 | 67.1 | 0 | 0 | 0 | 0 | 114.4 | N168 F169 | N168-S171 PolarHBondContact O-N 2.74Å; N168-S171 PolarHBondContact O-OG 3.31Å; F169-S171 PolarHBondContact O-N 2.78Å |
| 172 | H | 32.6 | Very low | 36.4 | Very low | 153 Ų | 153 | 126.3 Ų | 126.3 | 71% | 0.708 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -132.1 | 89.2 | -177.7 | -69.3 | -18.5 | 0 | 0 | 0 | 110.6 | F169 N174 | F169-H172 PolarHBondContact O-N 3.07Å; H172-N174 VanDerWaalsContact C-N 3.29Å; H172-N174 PolarHBondContact O-N 3.15Å |
| 173 | P | 31.3 | Very low | 37.1 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 67% | 0.669 | 66% | 0.66 | S | S | * | * | trans | -74.9 | 78.1 | -176 | 31.7 | -36.2 | 0 | 0 | 0 | 111.8 | R175 | P173-R175 PolarHBondContact O-N 3.47Å; P173-R175 VanDerWaalsContact O-N 3.12Å | ||
| 174 | N | 30.5 | Very low | 37.8 | Very low | 133 Ų | 133 | 130.6 Ų | 130.6 | 71% | 0.711 | 66% | 0.657 | S | S | * | * | trans | -63.5 | 107.4 | 157.1 | -106.3 | -27.5 | 0 | 0 | 0 | 107.2 | H172 D176 | H172-N174 VanDerWaalsContact C-N 3.29Å; H172-N174 PolarHBondContact O-N 3.15Å; N174-D176 PolarHBondContact O-N 3.18Å | ||
| 175 | R | 35 | Very low | 38.6 | Very low | 219 Ų | 219 | 129 Ų | 129 | 83% | 0.826 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -65.7 | -8.7 | -165.3 | -76.8 | -176.7 | 163.3 | -163.9 | -7.2 | 115.1 | P173 | P173-R175 PolarHBondContact O-N 3.47Å; P173-R175 VanDerWaalsContact O-N 3.12Å |
| 176 | D | 40.6 | Very low | 39.4 | Very low | 147 Ų | 147 | 129.6 Ų | 129.6 | 79% | 0.786 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -95 | 9.6 | -164.6 | -50.6 | -22.6 | 0 | 0 | 0 | 114.7 | N174 | N174-D176 PolarHBondContact O-N 3.18Š|
| 177 | I | 40.1 | Very low | 39.5 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 64% | 0.641 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -120.8 | 4.8 | -177.3 | -40.1 | -178.6 | 0 | 0 | 0 | 112.3 | ||
| 178 | Q | 34.9 | Very low | 39.8 | Very low | 160 Ų | 160 | 130.3 Ų | 130.3 | 75% | 0.748 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 136.5 | 174.5 | -66.2 | -173.2 | -12.2 | 0 | 0 | 110.7 | ||
| 179 | N | 35.9 | Very low | 41.1 | Very low | 169 Ų | 169 | 129.1 Ų | 129.1 | 90% | 0.904 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.3 | 51.4 | -175.5 | -69.6 | -4.7 | 0 | 0 | 0 | 116.8 | ||
| 180 | I | 40.8 | Very low | 41.7 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 54% | 0.538 | 65% | 0.651 | S | S | . | * | trans | -85.5 | 101.2 | 148.6 | -55 | 177.3 | 0 | 0 | 0 | 107.5 | P182 D185 | I180-P182 WeakPolarHBondContact O-CD 3.45Å; I180-D185 HydrophobicContact CG2-CB 3.94Å | ||
| 181 | D | 42.9 | Very low | 42.2 | Very low | 73 Ų | 73 | 128.3 Ų | 128.3 | 39% | 0.39 | 65% | 0.65 | S | S | . | * | trans | -72.1 | 119.8 | 164.6 | 160.2 | 28.3 | 0 | 0 | 0 | 108.6 | Q183 L184 D185 | D181-Q183 PolarHBondContact O-N 3.4Å; D181-Q183 WeakPolarHBondContact OD1-CB 3.4Å; D181-Q183 PolarHBondContact OD1-N 3.39Å; D181-L184 HydrophobicContact CB-CB 4.01Å; D181-L184 HydrophobicContact CB-CD1 4.38Å; D181-L184 PolarHBondContact O-N 3.25Å; D181-L184 VanDerWaalsContact O-N 3.17Å; D181-L184 WeakPolarHBondContact OD2-CB 3.46Å; D181-L184 PolarHBondContact OD2-N 3.25Å; D181-L184 VanDerWaalsContact OD2-N 3.13Å; D181-D185 PolarHBondContact O-N 2.91Å | ||
| 182 | P | 46.8 | Very low | 42.3 | Very low | 101 Ų | 101 | 126.2 Ų | 126.2 | 66% | 0.656 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -57.6 | -29.9 | -179.9 | -24.3 | 34.4 | 0 | 0 | 0 | 113.8 | I180 L186 | I180-P182 WeakPolarHBondContact O-CD 3.45Å; P182-L186 WeakPolarHBondContact O-CB 3.23Å; P182-L186 PolarHBondContact O-N 3.16Å |
| 183 | Q | 46.9 | Very low | 42.5 | Very low | 131 Ų | 131 | 122.7 Ų | 122.7 | 61% | 0.612 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -77.1 | -34.8 | -179.2 | -162 | 173 | 12.3 | 0 | 0 | 111.8 | D181 R187 | D181-Q183 PolarHBondContact O-N 3.4Å; D181-Q183 WeakPolarHBondContact OD1-CB 3.4Å; D181-Q183 PolarHBondContact OD1-N 3.39Å; Q183-R187 WeakPolarHBondContact O-CB 3.45Å; Q183-R187 WeakPolarHBondContact O-CG 3.36Å; Q183-R187 PolarHBondContact O-N 3.06Å |
| 184 | L | 49.1 | Very low | 43.4 | Very low | 105 Ų | 105 | 122 Ų | 122 | 55% | 0.55 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -68.5 | -39.3 | 170 | -108.2 | 165.5 | 0 | 0 | 0 | 112.8 | D181 R187 R188 | D181-L184 HydrophobicContact CB-CB 4.01Å; D181-L184 HydrophobicContact CB-CD1 4.38Å; D181-L184 PolarHBondContact O-N 3.25Å; D181-L184 VanDerWaalsContact O-N 3.17Å; D181-L184 WeakPolarHBondContact OD2-CB 3.46Å; D181-L184 PolarHBondContact OD2-N 3.25Å; D181-L184 VanDerWaalsContact OD2-N 3.13Å; L184-R187 PolarHBondContact O-N 2.87Å; L184-R188 PolarHBondContact O-N 3.12Å |
| 185 | D | 52.9 | Low | 43.8 | Very low | 91 Ų | 91 | 118.7 Ų | 118.7 | 49% | 0.487 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -70.3 | -41.5 | 178.8 | -160.2 | 41.1 | 0 | 0 | 0 | 111.4 | I180 D181 R187 R188 S189 | I180-D185 HydrophobicContact CG2-CB 3.94Å; D181-D185 PolarHBondContact O-N 2.91Å; D185-R187 VanDerWaalsContact C-N 3.33Å; D185-R187 PolarHBondContact O-N 2.87Å; D185-R188 PolarHBondContact O-N 3.08Å; D185-S189 PolarHBondContact O-N 3.49Å |
| 186 | L | 51.4 | Low | 43.6 | Very low | 118 Ų | 118 | 114 Ų | 114 | 62% | 0.618 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -58.7 | -45 | 170.1 | -133.8 | 86.3 | 0 | 0 | 0 | 111.3 | P182 S189 L190 | P182-L186 WeakPolarHBondContact O-CB 3.23Å; P182-L186 PolarHBondContact O-N 3.16Å; L186-S189 PolarHBondContact O-N 2.98Å; L186-L190 HydrophobicContact CD2-CD1 4.35Å; L186-L190 HydrophobicContact CG-CD1 4.48Å; L186-L190 WeakPolarHBondContact O-CB 3.44Å; L186-L190 VanDerWaalsContact O-CG 3.26Å; L186-L190 WeakPolarHBondContact O-CG 3.37Å; L186-L190 PolarHBondContact O-N 2.86Å |
| 187 | R | 41.3 | Very low | 43.7 | Very low | 156 Ų | 156 | 115.2 Ų | 115.2 | 59% | 0.589 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.4 | -37.9 | 176.9 | -82.8 | 176.3 | 159.1 | 177.4 | -7 | 112.6 | Q183 L184 D185 L190 N191 | Q183-R187 WeakPolarHBondContact O-CB 3.45Å; Q183-R187 WeakPolarHBondContact O-CG 3.36Å; Q183-R187 PolarHBondContact O-N 3.06Å; L184-R187 PolarHBondContact O-N 2.87Å; D185-R187 VanDerWaalsContact C-N 3.33Å; D185-R187 PolarHBondContact O-N 2.87Å; R187-L190 PolarHBondContact O-N 3.33Å; R187-N191 WeakPolarHBondContact O-CB 3.23Å; R187-N191 PolarHBondContact O-N 3.19Å |
| 188 | R | 44.6 | Very low | 43.7 | Very low | 180 Ų | 180 | 113.9 Ų | 113.9 | 68% | 0.679 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.2 | -48.7 | 171.4 | -86.1 | -178 | 167.8 | -97.9 | -2.9 | 111.2 | L184 D185 L190 N191 S192 | L184-R188 PolarHBondContact O-N 3.12Å; D185-R188 PolarHBondContact O-N 3.08Å; R188-L190 VanDerWaalsContact C-N 3.29Å; R188-L190 PolarHBondContact O-N 3.03Å; R188-N191 PolarHBondContact O-N 2.74Å; R188-S192 VanDerWaalsContact O-CB 3.28Å; R188-S192 WeakPolarHBondContact O-CB 3.38Å; R188-S192 PolarHBondContact O-N 3.08Å; R188-S192 PolarHBondContact O-OG 3.08Å |
| 189 | S | 58 | Low | 43.7 | Very low | 85 Ų | 85 | 112.9 Ų | 112.9 | 59% | 0.594 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.7 | -24.8 | -179.1 | -171.3 | 0 | 0 | 0 | 0 | 114.1 | D185 L186 | D185-S189 PolarHBondContact O-N 3.49Å; L186-S189 PolarHBondContact O-N 2.98Å |
| 190 | L | 48.9 | Very low | 43.7 | Very low | 131 Ų | 131 | 110.2 Ų | 110.2 | 69% | 0.686 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -87.4 | -34.4 | 176.4 | -70.4 | 168.7 | 0 | 0 | 0 | 112.5 | L186 R187 R188 | L186-L190 HydrophobicContact CD2-CD1 4.35Å; L186-L190 HydrophobicContact CG-CD1 4.48Å; L186-L190 WeakPolarHBondContact O-CB 3.44Å; L186-L190 VanDerWaalsContact O-CG 3.26Å; L186-L190 WeakPolarHBondContact O-CG 3.37Å; L186-L190 PolarHBondContact O-N 2.86Å; R187-L190 PolarHBondContact O-N 3.33Å; R188-L190 VanDerWaalsContact C-N 3.29Å; R188-L190 PolarHBondContact O-N 3.03Å |
| 191 | N | 46.2 | Very low | 43.3 | Very low | 132 Ų | 132 | 112.1 Ų | 112.1 | 71% | 0.706 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -91 | -14.4 | -176.7 | -63.9 | -4.2 | 0 | 0 | 0 | 113.5 | R187 R188 S193 | R187-N191 WeakPolarHBondContact O-CB 3.23Å; R187-N191 PolarHBondContact O-N 3.19Å; R188-N191 PolarHBondContact O-N 2.74Å; N191-S193 PolarHBondContact O-N 2.91Å; N191-S193 VanDerWaalsContact O-N 3.12Å |
| 192 | S | 38 | Very low | 42.9 | Very low | 34 Ų | 34 | 110.4 Ų | 110.4 | 24% | 0.238 | 61% | 0.609 | C | S | . | * | S | Bend | trans | -66.8 | 109 | 178.9 | 56.7 | 0 | 0 | 0 | 0 | 111.4 | R188 | R188-S192 VanDerWaalsContact O-CB 3.28Å; R188-S192 WeakPolarHBondContact O-CB 3.38Å; R188-S192 PolarHBondContact O-N 3.08Å; R188-S192 PolarHBondContact O-OG 3.08Å |
| 193 | S | 37.1 | Very low | 42.6 | Very low | 78 Ų | 78 | 112.1 Ų | 112.1 | 55% | 0.545 | 62% | 0.617 | S | S | . | * | trans | -62.7 | 148.9 | 179.8 | 78.1 | 0 | 0 | 0 | 0 | 112 | N191 G195 E196 | N191-S193 PolarHBondContact O-N 2.91Å; N191-S193 VanDerWaalsContact O-N 3.12Å; S193-G195 PolarHBondContact O-N 2.85Å; S193-E196 PolarHBondContact O-N 2.99Å; S193-E196 VanDerWaalsContact O-N 3.08Å | ||
| 194 | A | 48.3 | Very low | 41.8 | Very low | 90 Ų | 90 | 116.4 Ų | 116.4 | 74% | 0.744 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 2.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y197 | A194-Y197 HydrophobicContact CB-CE2 4.29Š|
| 195 | G | 39.2 | Very low | 40.8 | Very low | 62 Ų | 62 | 114.1 Ų | 114.1 | 64% | 0.639 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -21.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115 | S193 | S193-G195 PolarHBondContact O-N 2.85Š|
| 196 | E | 32 | Very low | 39.8 | Very low | 121 Ų | 121 | 117.5 Ų | 117.5 | 57% | 0.565 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -90.1 | -0.9 | -168.2 | -63.7 | -165.4 | 122.3 | 0 | 0 | 115.1 | S193 A198 N199 | S193-E196 PolarHBondContact O-N 2.99Å; S193-E196 VanDerWaalsContact O-N 3.08Å; E196-A198 PolarHBondContact O-N 3.47Å; E196-N199 PolarHBondContact O-N 3.17Å; E196-N199 VanDerWaalsContact O-N 3.11Å |
| 197 | Y | 42 | Very low | 38.7 | Very low | 172 Ų | 172 | 121 Ų | 121 | 68% | 0.675 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -56.5 | -9.5 | 171.5 | -70.6 | -66.3 | 0 | 0 | 0 | 114.5 | A194 N199 | A194-Y197 HydrophobicContact CB-CE2 4.29Å; Y197-N199 VanDerWaalsContact C-N 3.31Å; Y197-N199 PolarHBondContact O-N 3.16Å |
| 198 | A | 41.2 | Very low | 38.3 | Very low | 97 Ų | 97 | 123.2 Ų | 123.2 | 80% | 0.802 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -67.6 | -22.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | E196 | E196-A198 PolarHBondContact O-N 3.47Š|
| 199 | N | 33.4 | Very low | 37.6 | Very low | 140 Ų | 140 | 121.1 Ų | 121.1 | 75% | 0.749 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.8 | 12.7 | -169.6 | -142.2 | 8.1 | 0 | 0 | 0 | 117.7 | E196 Y197 H201 | E196-N199 PolarHBondContact O-N 3.17Å; E196-N199 VanDerWaalsContact O-N 3.11Å; Y197-N199 VanDerWaalsContact C-N 3.31Å; Y197-N199 PolarHBondContact O-N 3.16Å; N199-H201 PolarHBondContact O-N 3.07Å |
| 200 | L | 36.2 | Very low | 36.4 | Very low | 112 Ų | 112 | 124.9 Ų | 124.9 | 59% | 0.586 | 67% | 0.673 | S | S | * | * | trans | -79.6 | 102.1 | 160.2 | -84.7 | 96.3 | 0 | 0 | 0 | 110.4 | G202 | L200-G202 PolarHBondContact O-N 3.14Š| ||
| 201 | H | 32.4 | Very low | 35.6 | Very low | 145 Ų | 145 | 125.4 Ų | 125.4 | 67% | 0.671 | 68% | 0.677 | S | S | * | * | trans | -71.1 | 53.3 | 153.9 | -87.5 | 38.1 | 0 | 0 | 0 | 110.7 | N199 | N199-H201 PolarHBondContact O-N 3.07Š| ||
| 202 | G | 35 | Very low | 34.9 | Very low | 38 Ų | 38 | 125.6 Ų | 125.6 | 39% | 0.392 | 69% | 0.688 | S | S | . | * | trans | -60.6 | 149.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110 | L200 Y204 A205 | L200-G202 PolarHBondContact O-N 3.14Å; G202-Y204 PolarHBondContact O-N 2.68Å; G202-A205 WeakPolarHBondContact O-CB 3.48Å; G202-A205 PolarHBondContact O-N 2.67Å | ||
| 203 | T | 40.6 | Very low | 34.6 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 84% | 0.84 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -6.5 | -158.5 | 31.6 | 0 | 0 | 0 | 0 | 117.3 | ||
| 204 | Y | 30.6 | Very low | 34.4 | Very low | 221 Ų | 221 | 133.3 Ų | 133.3 | 87% | 0.867 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -9.8 | 173.8 | -57.8 | -75.5 | 0 | 0 | 0 | 114.1 | G202 L206 | G202-Y204 PolarHBondContact O-N 2.68Å; Y204-L206 PolarHBondContact O-N 3.09Å |
| 205 | A | 28.5 | Very low | 33.7 | Very low | 57 Ų | 57 | 135.7 Ų | 135.7 | 47% | 0.471 | 73% | 0.725 | S | S | . | * | S | Bend | trans | -71.7 | 96.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | G202 R207 | G202-A205 WeakPolarHBondContact O-CB 3.48Å; G202-A205 PolarHBondContact O-N 2.67Å; A205-R207 PolarHBondContact O-N 3.23Å |
| 206 | L | 30.8 | Very low | 33.5 | Very low | 161 Ų | 161 | 136.9 Ų | 136.9 | 84% | 0.843 | 72% | 0.721 | S | S | * | * | trans | -44 | 101.6 | 178.6 | -79 | 165.5 | 0 | 0 | 0 | 111.8 | Y204 K208 | Y204-L206 PolarHBondContact O-N 3.09Å; L206-K208 PolarHBondContact O-N 3.41Å; L206-K208 VanDerWaalsContact O-N 3.11Å | ||
| 207 | R | 28.7 | Very low | 33.9 | Very low | 191 Ų | 191 | 137.5 Ų | 137.5 | 72% | 0.721 | 73% | 0.727 | S | S | * | * | trans | -54.4 | 118 | -179.9 | -177 | -178.2 | -71.9 | 173 | -3.7 | 108.8 | A205 Q209 | A205-R207 PolarHBondContact O-N 3.23Å; R207-Q209 HydrophobicContact CG-CB 4.49Å; R207-Q209 PolarHBondContact O-N 3.48Å | ||
| 208 | K | 32.8 | Very low | 33.6 | Very low | 204 Ų | 204 | 138.7 Ų | 138.7 | 89% | 0.887 | 73% | 0.731 | S | S | * | * | trans | -69.3 | 68.8 | 176.4 | -74.3 | -175.7 | 178.3 | 173.8 | 0 | 111.3 | L206 | L206-K208 PolarHBondContact O-N 3.41Å; L206-K208 VanDerWaalsContact O-N 3.11Å | ||
| 209 | Q | 30.6 | Very low | 33.4 | Very low | 136 Ų | 136 | 139.4 Ų | 139.4 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | trans | -93.8 | 125.4 | 174.1 | -166 | 159.2 | -9.8 | 0 | 0 | 109.1 | R207 N211 | R207-Q209 HydrophobicContact CG-CB 4.49Å; R207-Q209 PolarHBondContact O-N 3.48Å; Q209-N211 VanDerWaalsContact C-N 3.34Å; Q209-N211 PolarHBondContact O-N 3.16Å | ||
| 210 | N | 31.4 | Very low | 34 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 87% | 0.872 | 71% | 0.71 | S | S | * | * | trans | -74.3 | 77.3 | -167.3 | -68.6 | -49.5 | 0 | 0 | 0 | 113.1 | ||||
| 211 | N | 32.7 | Very low | 34 | Very low | 143 Ų | 143 | 140.4 Ų | 140.4 | 77% | 0.765 | 72% | 0.719 | S | S | * | * | trans | -101.1 | 119.1 | 164.2 | -76.5 | -16.6 | 0 | 0 | 0 | 109.6 | Q209 G213 | Q209-N211 VanDerWaalsContact C-N 3.34Å; Q209-N211 PolarHBondContact O-N 3.16Å; N211-G213 VanDerWaalsContact C-N 3.32Å; N211-G213 PolarHBondContact O-N 3.38Å | ||
| 212 | S | 31.5 | Very low | 34.1 | Very low | 136 Ų | 136 | 138 Ų | 138 | 95% | 0.951 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -73.5 | 80.8 | -179.7 | 50.6 | 0 | 0 | 0 | 0 | 111.5 | ||
| 213 | G | 31.3 | Very low | 34 | Very low | 61 Ų | 61 | 139.8 Ų | 139.8 | 63% | 0.629 | 72% | 0.722 | S | S | * | * | trans | -161.2 | 73 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N211 L215 | N211-G213 VanDerWaalsContact C-N 3.32Å; N211-G213 PolarHBondContact O-N 3.38Å; G213-L215 VanDerWaalsContact C-N 3.34Å; G213-L215 PolarHBondContact O-N 2.81Å | ||
| 214 | K | 34.2 | Very low | 33.6 | Very low | 212 Ų | 212 | 144.6 Ų | 144.6 | 92% | 0.922 | 72% | 0.724 | S | S | * | * | trans | -74.5 | 83.6 | 175.2 | -71.4 | -175.7 | 179.5 | 179.7 | 0 | 110.9 | P216 | K214-P216 WeakPolarHBondContact O-CD 3.41Š| ||
| 215 | L | 32.5 | Very low | 34 | Very low | 141 Ų | 141 | 140.2 Ų | 140.2 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | trans | -90.4 | 106.9 | 160.1 | -68.1 | 170.4 | 0 | 0 | 0 | 107.9 | G213 E219 | G213-L215 VanDerWaalsContact C-N 3.34Å; G213-L215 PolarHBondContact O-N 2.81Å; L215-E219 WeakPolarHBondContact CD2-OE2 3.26Å | ||
| 216 | P | 35.8 | Very low | 33.9 | Very low | 87 Ų | 87 | 145.3 Ų | 145.3 | 57% | 0.565 | 74% | 0.735 | S | S | * | * | trans | -70.7 | 142.9 | 178.9 | 29.7 | -33.3 | 0 | 0 | 0 | 110.5 | K214 R218 E219 | K214-P216 WeakPolarHBondContact O-CD 3.41Å; P216-R218 PolarHBondContact O-N 3.05Å; P216-E219 PolarHBondContact O-N 2.91Å; P216-E219 VanDerWaalsContact O-N 3.17Å | ||
| 217 | L | 40.5 | Very low | 33.8 | Very low | 133 Ų | 133 | 147.3 Ų | 147.3 | 70% | 0.696 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -5.4 | -176 | -96.7 | 148.3 | 0 | 0 | 0 | 116.9 | V220 | L217-V220 HydrophobicContact CD2-CG2 4.1Š|
| 218 | R | 35.1 | Very low | 34 | Very low | 198 Ų | 198 | 143.7 Ų | 143.7 | 75% | 0.747 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -38.5 | 172.4 | -172.3 | 170.3 | 178.9 | 150.9 | 1.4 | 112.6 | P216 V220 F221 D222 | P216-R218 PolarHBondContact O-N 3.05Å; R218-V220 VanDerWaalsContact C-N 3.27Å; R218-V220 PolarHBondContact O-N 3.49Å; R218-F221 PolarHBondContact O-N 3.28Å; R218-D222 PolarHBondContact O-N 2.91Å |
| 219 | E | 36.7 | Very low | 33.8 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 52% | 0.523 | 73% | 0.733 | S | S | . | * | H | α-helix | trans | -70.9 | -19.7 | -178.1 | -79.3 | 177.5 | 135.3 | 0 | 0 | 113.8 | L215 P216 F221 D222 A223 | L215-E219 WeakPolarHBondContact CD2-OE2 3.26Å; P216-E219 PolarHBondContact O-N 2.91Å; P216-E219 VanDerWaalsContact O-N 3.17Å; E219-F221 PolarHBondContact O-N 2.78Å; E219-D222 PolarHBondContact O-N 3.38Å; E219-A223 PolarHBondContact O-N 3.41Å |
| 220 | V | 45.9 | Very low | 33.9 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 58% | 0.582 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -62 | -28.9 | 176.6 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | L217 R218 | L217-V220 HydrophobicContact CD2-CG2 4.1Å; R218-V220 VanDerWaalsContact C-N 3.27Å; R218-V220 PolarHBondContact O-N 3.49Å |
| 221 | F | 37 | Very low | 33.8 | Very low | 177 Ų | 177 | 136.3 Ų | 136.3 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -98.7 | -23.2 | 177.7 | -66.9 | -79.2 | 0 | 0 | 0 | 113.8 | R218 E219 A223 | R218-F221 PolarHBondContact O-N 3.28Å; E219-F221 PolarHBondContact O-N 2.78Å; F221-A223 PolarHBondContact O-N 3.27Å |
| 222 | D | 34.5 | Very low | 33.6 | Very low | 94 Ų | 94 | 138 Ų | 138 | 50% | 0.503 | 74% | 0.739 | S | S | . | * | H | α-helix | trans | -78.5 | -0.6 | 173.1 | -78.2 | -41.8 | 0 | 0 | 0 | 113.1 | R218 E219 R224 T225 | R218-D222 PolarHBondContact O-N 2.91Å; E219-D222 PolarHBondContact O-N 3.38Å; D222-R224 PolarHBondContact O-N 3.22Å; D222-T225 PolarHBondContact O-N 2.87Å; D222-T225 PolarHBondContact O-OG1 3.16Å |
| 223 | A | 32.1 | Very low | 33.4 | Very low | 75 Ų | 75 | 141.8 Ų | 141.8 | 62% | 0.62 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 22.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | E219 F221 | E219-A223 PolarHBondContact O-N 3.41Å; F221-A223 PolarHBondContact O-N 3.27Å |
| 224 | R | 33.2 | Very low | 33.3 | Very low | 239 Ų | 239 | 144.6 Ų | 144.6 | 90% | 0.902 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 0.6 | 169.9 | -71.9 | -168.7 | 178.4 | -169 | 1.7 | 114.1 | D222 | D222-R224 PolarHBondContact O-N 3.22Š|
| 225 | T | 38.3 | Very low | 33.1 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -124.9 | 8.9 | -173.1 | 54.7 | 0 | 0 | 0 | 0 | 115.2 | D222 | D222-T225 PolarHBondContact O-N 2.87Å; D222-T225 PolarHBondContact O-OG1 3.16Å |
| 226 | Q | 26.3 | Very low | 33.2 | Very low | 165 Ų | 165 | 145 Ų | 145 | 77% | 0.771 | 74% | 0.742 | S | S | * | * | trans | -112.1 | 76.6 | 176.1 | -152.6 | 170.1 | 34.3 | 0 | 0 | 111.8 | V228 | Q226-V228 HydrophobicContact CG-CG2 4.01Å; Q226-V228 PolarHBondContact O-N 3.24Å; Q226-V228 VanDerWaalsContact O-N 3.14Å | ||
| 227 | E | 28.6 | Very low | 32.9 | Very low | 202 Ų | 202 | 146.5 Ų | 146.5 | 94% | 0.944 | 75% | 0.751 | S | S | * | * | trans | -62.4 | 108.2 | 159.6 | -69.2 | -176.6 | 130.7 | 0 | 0 | 108.4 | ||||
| 228 | V | 34.2 | Very low | 32.6 | Very low | 115 Ų | 115 | 149.6 Ų | 149.6 | 70% | 0.697 | 76% | 0.759 | S | S | * | * | trans | -99.9 | 130 | 168.3 | -179 | 0 | 0 | 0 | 0 | 108.4 | Q226 S230 | Q226-V228 HydrophobicContact CG-CG2 4.01Å; Q226-V228 PolarHBondContact O-N 3.24Å; Q226-V228 VanDerWaalsContact O-N 3.14Å; V228-S230 PolarHBondContact O-N 3.39Å | ||
| 229 | D | 27.1 | Very low | 32.4 | Very low | 145 Ų | 145 | 145.9 Ų | 145.9 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | trans | -42.7 | 121.6 | -174.3 | -104.3 | -58.8 | 0 | 0 | 0 | 114.7 | ||||
| 230 | S | 34.1 | Very low | 32.3 | Very low | 122 Ų | 122 | 146 Ų | 146 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | -140.2 | 63.4 | 158.8 | -76.5 | 0 | 0 | 0 | 0 | 108.4 | V228 M232 | V228-S230 PolarHBondContact O-N 3.39Å; S230-M232 PolarHBondContact O-N 2.82Å | ||
| 231 | A | 28.6 | Very low | 31.6 | Very low | 81 Ų | 81 | 151 Ų | 151 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | trans | -65.7 | 111 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 232 | M | 29.2 | Very low | 31.5 | Very low | 178 Ų | 178 | 148.5 Ų | 148.5 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | -145.7 | 82 | 159.5 | -93.7 | -64.2 | 178.4 | 0 | 0 | 111 | S230 | S230-M232 PolarHBondContact O-N 2.82Š| ||
| 233 | Y | 26.6 | Very low | 31.2 | Very low | 217 Ų | 217 | 153 Ų | 153 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | 23.5 | 115.9 | 154.7 | -95.9 | -100.7 | 0 | 0 | 0 | 120.1 | ||||
| 234 | C | 29.2 | Very low | 31.2 | Very low | 119 Ų | 119 | 153.4 Ų | 153.4 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | -166.6 | 73.1 | 118.8 | -99.6 | 0 | 0 | 0 | 0 | 111.7 | K236 | C234-K236 PolarHBondContact O-N 2.9Å; C234-K236 VanDerWaalsContact O-N 3.1Å | |||
| 235 | E | 30.4 | Very low | 31.2 | Very low | 186 Ų | 186 | 147.7 Ų | 147.7 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | -63.8 | 109.4 | 170.4 | -173.1 | -178.8 | -159.9 | 0 | 0 | 110.1 | ||||
| 236 | K | 33.2 | Very low | 30.9 | Very low | 177 Ų | 177 | 152.6 Ų | 152.6 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 121.3 | 171.3 | -71.9 | -176.9 | -179.7 | 176.1 | 0 | 108.7 | C234 K238 | C234-K236 PolarHBondContact O-N 2.9Å; C234-K236 VanDerWaalsContact O-N 3.1Å; K236-K238 PolarHBondContact O-N 3.33Å |
| 237 | P | 31.1 | Very low | 31.2 | Very low | 118 Ų | 118 | 149.8 Ų | 149.8 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 127.1 | -174.2 | 25.5 | -34.2 | 0 | 0 | 0 | 111.2 | ||
| 238 | K | 33 | Very low | 31.1 | Very low | 198 Ų | 198 | 143.9 Ų | 143.9 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 137.1 | 167.5 | -84.3 | 172.5 | 176.1 | 164.9 | 0 | 109.4 | K236 | K236-K238 PolarHBondContact O-N 3.33Š|
| 239 | P | 32.3 | Very low | 30.9 | Very low | 119 Ų | 119 | 145.8 Ų | 145.8 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 131.6 | 178.7 | 27 | -33.8 | 0 | 0 | 0 | 110.5 | ||
| 240 | P | 32.5 | Very low | 31.1 | Very low | 116 Ų | 116 | 144.4 Ų | 144.4 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 132.1 | 176.5 | 30.4 | -33.5 | 0 | 0 | 0 | 111.1 | ||
| 241 | F | 31.8 | Very low | 30.9 | Very low | 200 Ų | 200 | 147.4 Ų | 147.4 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | 56.1 | 114.7 | 170.3 | -71.5 | -92.4 | 0 | 0 | 0 | 118.6 | ||||
| 242 | S | 35.9 | Very low | 31.1 | Very low | 124 Ų | 124 | 151.7 Ų | 151.7 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | -164.2 | 140.7 | 114.2 | -82.6 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 243 | Q | 28.3 | Very low | 31.2 | Very low | 189 Ų | 189 | 152.1 Ų | 152.1 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | trans | -91.4 | 114.5 | 175.1 | -74.7 | 177 | -34.2 | 0 | 0 | 110.6 | V245 | Q243-V245 HydrophobicContact CB-CG2 4.14Š| ||
| 244 | A | 31.9 | Very low | 31.3 | Very low | 83 Ų | 83 | 153.6 Ų | 153.6 | 69% | 0.686 | 82% | 0.82 | S | S | * | * | trans | -143.2 | 106.5 | 158.3 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 245 | V | 31.7 | Very low | 31.4 | Very low | 120 Ų | 120 | 153.3 Ų | 153.3 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | cis | 58.6 | 42.4 | 32.3 | -155.2 | 0 | 0 | 0 | 0 | 112.1 | Q243 S247 | Q243-V245 HydrophobicContact CB-CG2 4.14Å; V245-S247 PolarHBondContact O-N 2.96Å | ||
| 246 | Y | 33.7 | Very low | 31.4 | Very low | 231 Ų | 231 | 153.8 Ų | 153.8 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | trans | -82.3 | 97.2 | 146.9 | -99.9 | -88.6 | 0 | 0 | 0 | 108.8 | G248 | Y246-G248 PolarHBondContact O-N 3.47Š| ||
| 247 | S | 31.6 | Very low | 31.3 | Very low | 106 Ų | 106 | 156.7 Ų | 156.7 | 74% | 0.741 | 83% | 0.827 | S | S | * | * | trans | -75.5 | 104.5 | 178.3 | 51.7 | 0 | 0 | 0 | 0 | 111 | V245 | V245-S247 PolarHBondContact O-N 2.96Š| ||
| 248 | G | 26.7 | Very low | 31.1 | Very low | 78 Ų | 78 | 157.1 Ų | 157.1 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | -105.9 | 7.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115 | Y246 | Y246-G248 PolarHBondContact O-N 3.47Š| ||
| 249 | L | 30.5 | Very low | 30.8 | Very low | 155 Ų | 155 | 152.2 Ų | 152.2 | 81% | 0.812 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -131.7 | 141.5 | -177.7 | -78.5 | 165.8 | 0 | 0 | 0 | 110.8 | ||
| 250 | P | 31.4 | Very low | 30.8 | Very low | 115 Ų | 115 | 153.2 Ų | 153.2 | 75% | 0.747 | 83% | 0.831 | S | S | * | * | trans | -67.6 | 142 | 177 | 28.6 | -34.3 | 0 | 0 | 0 | 111.4 | L252 | P250-L252 PolarHBondContact O-N 3.36Š| ||
| 251 | Q | 29.6 | Very low | 31 | Very low | 186 Ų | 186 | 152.7 Ų | 152.7 | 87% | 0.869 | 83% | 0.827 | S | S | * | * | trans | -70.6 | 111.7 | -179.5 | -67.5 | -178.8 | -5.2 | 0 | 0 | 111.3 | ||||
| 252 | L | 32.9 | Very low | 30.8 | Very low | 170 Ų | 170 | 149.7 Ų | 149.7 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | trans | -71.6 | 128.9 | 162.5 | -67.9 | 175.6 | 0 | 0 | 0 | 109.3 | P250 R254 | P250-L252 PolarHBondContact O-N 3.36Å; L252-R254 PolarHBondContact O-N 3.26Å | ||
| 253 | H | 30 | Very low | 30.7 | Very low | 188 Ų | 188 | 151.3 Ų | 151.3 | 87% | 0.87 | 82% | 0.819 | S | S | * | * | trans | -64.4 | 122.1 | -172.2 | -83.3 | -96 | 0 | 0 | 0 | 112.6 | S255 | H253-S255 PolarHBondContact O-N 3.41Š| ||
| 254 | R | 29.9 | Very low | 30.6 | Very low | 248 Ų | 248 | 149.5 Ų | 149.5 | 94% | 0.936 | 82% | 0.815 | S | S | * | * | trans | -75.5 | 99 | 179.7 | -171.7 | -179.7 | -169.2 | 167.5 | 4.1 | 111.1 | L252 | L252-R254 PolarHBondContact O-N 3.26Š| ||
| 255 | S | 31.9 | Very low | 30.7 | Very low | 113 Ų | 113 | 152.5 Ų | 152.5 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | trans | -74.2 | 148.2 | 170.7 | 54.7 | 0 | 0 | 0 | 0 | 111.9 | H253 | H253-S255 PolarHBondContact O-N 3.41Š| ||
| 256 | Q | 29 | Very low | 30.7 | Very low | 195 Ų | 195 | 151.9 Ų | 151.9 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | trans | -75.1 | 140.1 | -162.9 | -61 | 159.9 | -6.9 | 0 | 0 | 114 | ||||
| 257 | R | 32.2 | Very low | 31.5 | Very low | 238 Ų | 238 | 146.5 Ų | 146.5 | 90% | 0.898 | 82% | 0.82 | S | S | * | * | trans | -146.6 | 137.8 | 144.1 | -147.2 | 161.5 | -169.6 | -171.7 | 2 | 108.9 | ||||
| 258 | P | 27.1 | Very low | 31.7 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 83% | 0.831 | 82% | 0.822 | S | S | * | * | trans | -82.4 | 173.3 | -163.1 | 32.5 | -37.2 | 0 | 0 | 0 | 114.6 | ||||
| 259 | A | 26.1 | Very low | 31.8 | Very low | 95 Ų | 95 | 151.5 Ų | 151.5 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -114.5 | 157.2 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 260 | T | 33.2 | Very low | 32 | Very low | 140 Ų | 140 | 148.7 Ų | 148.7 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | trans | -140.4 | 156.7 | 166.8 | 38.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 261 | P | 35.5 | Very low | 31.9 | Very low | 105 Ų | 105 | 150 Ų | 150 | 68% | 0.682 | 81% | 0.812 | S | S | * | * | trans | -131.2 | 171.7 | -135.5 | 42.9 | -29.9 | 0 | 0 | 0 | 118.1 | ||||
| 262 | N | 28.6 | Very low | 32 | Very low | 136 Ų | 136 | 152.9 Ų | 152.9 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | 64.7 | 130.5 | 155.7 | -62.7 | -7.2 | 0 | 0 | 0 | 118.5 | ||||
| 263 | N | 32.4 | Very low | 31.6 | Very low | 159 Ų | 159 | 153.9 Ų | 153.9 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | -155.9 | 163.2 | 70.7 | -95.1 | -37.1 | 0 | 0 | 0 | 114.5 | |||||
| 264 | N | 27.6 | Very low | 31.8 | Very low | 150 Ų | 150 | 152.8 Ų | 152.8 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -113.2 | 143.4 | 178.4 | -65.5 | -46.8 | 0 | 0 | 0 | 112.2 | ||||
| 265 | V | 33.2 | Very low | 31.7 | Very low | 147 Ų | 147 | 146.4 Ų | 146.4 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | trans | -140 | 155.1 | 157.4 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 266 | S | 30.8 | Very low | 31.8 | Very low | 107 Ų | 107 | 147 Ų | 147 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | -147.4 | 173.8 | -169.4 | -62.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 267 | P | 52 | Low | 31.8 | Very low | 118 Ų | 118 | 146.5 Ų | 146.5 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | trans | -110.4 | 176.7 | -143.2 | 42.2 | -38.6 | 0 | 0 | 0 | 117.2 | ||||
| 268 | N | 35.1 | Very low | 32.1 | Very low | 149 Ų | 149 | 139.8 Ų | 139.8 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -157.7 | 112.7 | 172.2 | -154.4 | 12 | 0 | 0 | 0 | 107.3 | ||||
| 269 | I | 29.3 | Very low | 32.2 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | 69.9 | 109.5 | 56.4 | -52.9 | 171.8 | 0 | 0 | 0 | 113.9 | |||||
| 270 | S | 34.2 | Very low | 32.3 | Very low | 97 Ų | 97 | 142.3 Ų | 142.3 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | 168.3 | 110.2 | 133.4 | 176.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 271 | N | 28.4 | Very low | 32.1 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | 37.1 | 127.6 | 132.4 | -47 | -71.8 | 0 | 0 | 0 | 123.8 | ||||
| 272 | R | 33.2 | Very low | 31.8 | Very low | 247 Ų | 247 | 144.1 Ų | 144.1 | 93% | 0.932 | 79% | 0.791 | S | S | * | * | -163 | 160 | 109 | -149.5 | 161.1 | -69.5 | -166.4 | -0.4 | 113.1 | |||||
| 273 | K | 23.6 | Very low | 31.9 | Very low | 192 Ų | 192 | 145.7 Ų | 145.7 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -121.1 | 136.6 | -179.9 | -59.9 | 175.1 | 179.5 | 177 | 0 | 113 | ||||
| 274 | I | 34.4 | Very low | 31.6 | Very low | 165 Ų | 165 | 144.1 Ų | 144.1 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -156.6 | 129.7 | 148 | -51.6 | -177.7 | 0 | 0 | 0 | 105.8 | ||||
| 275 | S | 27.4 | Very low | 32.4 | Very low | 114 Ų | 114 | 143 Ų | 143 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | cis | 94.4 | 86.6 | -3.3 | -153.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 276 | S | 33.9 | Very low | 32 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -146.3 | 140.7 | 163.6 | 55.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 277 | K | 30.1 | Very low | 32 | Very low | 185 Ų | 185 | 138.6 Ų | 138.6 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -153.5 | 161.2 | 176 | -124.2 | -165.6 | 179.8 | -155.4 | 0 | 105.6 | ||||
| 278 | P | 38.3 | Very low | 30.9 | Very low | 97 Ų | 97 | 139.8 Ų | 139.8 | 63% | 0.63 | 79% | 0.793 | S | S | * | * | -158.5 | -161.1 | 70.4 | 41.1 | -17.7 | 0 | 0 | 0 | 115.6 | |||||
| 279 | N | 29.3 | Very low | 30.5 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | 72.6 | 111.5 | 167.4 | -51.6 | -14 | 0 | 0 | 0 | 114.3 | ||||
| 280 | D | 26.8 | Very low | 30.4 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | cis | 72.9 | 106.4 | 30.2 | -50.5 | -51 | 0 | 0 | 0 | 114.7 | ||||
| 281 | S | 30.9 | Very low | 30.3 | Very low | 118 Ų | 118 | 137 Ų | 137 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -146.8 | 126 | 165.5 | -178.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 282 | L | 28.4 | Very low | 30.3 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | -100 | 130.4 | -176.1 | -72.7 | 160.5 | 0 | 0 | 0 | 110.2 | ||||
| 283 | L | 30.8 | Very low | 30 | Very low | 168 Ų | 168 | 137.4 Ų | 137.4 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | trans | -153.8 | 128.8 | 165.4 | -111.8 | 165.5 | 0 | 0 | 0 | 112.3 | ||||
| 284 | V | 26.5 | Very low | 30.1 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | trans | -160.8 | 148.7 | -172.8 | 177.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 285 | P | 44.3 | Very low | 29.9 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | cis | -121.7 | -177.9 | -21 | 37.8 | -22.9 | 0 | 0 | 0 | 112.8 | ||||
| 286 | G | 25.3 | Very low | 29.9 | Very low | 72 Ų | 72 | 135 Ų | 135 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | -169 | 136.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 287 | A | 30.7 | Very low | 29.6 | Very low | 89 Ų | 89 | 132 Ų | 132 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | 39.4 | 97.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 288 | T | 28.7 | Very low | 29.6 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | 63.7 | 68.1 | 51 | 82.8 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 289 | S | 26.5 | Very low | 29.4 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -150.7 | 56 | 158.2 | 52.9 | 0 | 0 | 0 | 0 | 113 | P291 | S289-P291 WeakPolarHBondContact O-CD 3.41Š| ||
| 290 | S | 27 | Very low | 29.6 | Very low | 93 Ų | 93 | 138.6 Ų | 138.6 | 65% | 0.65 | 80% | 0.802 | S | S | * | * | trans | -66 | 125.5 | 168.1 | 178.6 | 0 | 0 | 0 | 0 | 110.3 | Y292 | S290-Y292 PolarHBondContact O-N 2.99Š| ||
| 291 | P | 31.9 | Very low | 29.8 | Very low | 124 Ų | 124 | 136.7 Ų | 136.7 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | -72.6 | 93.7 | 168.8 | 30 | -32.1 | 0 | 0 | 0 | 108.8 | S289 | S289-P291 WeakPolarHBondContact O-CD 3.41Š| ||
| 292 | Y | 27.4 | Very low | 30.2 | Very low | 209 Ų | 209 | 137 Ų | 137 | 82% | 0.82 | 80% | 0.797 | S | S | * | * | trans | -55.7 | 144.7 | 177.5 | -110.3 | -94.6 | 0 | 0 | 0 | 111.9 | S290 K294 | S290-Y292 PolarHBondContact O-N 2.99Å; Y292-K294 PolarHBondContact O-N 3.38Å | ||
| 293 | Q | 27 | Very low | 30.5 | Very low | 188 Ų | 188 | 136.1 Ų | 136.1 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -53.9 | 134.6 | -179 | -64 | 163.3 | -38.7 | 0 | 0 | 112.2 | ||||
| 294 | K | 26.6 | Very low | 30.6 | Very low | 210 Ų | 210 | 133.7 Ų | 133.7 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | trans | -125.1 | 144.1 | 151.2 | -84.7 | -169.3 | 172.8 | -178.4 | 0 | 109.7 | Y292 | Y292-K294 PolarHBondContact O-N 3.38Š| ||
| 295 | A | 29.6 | Very low | 31.4 | Very low | 87 Ų | 87 | 136.5 Ų | 136.5 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | trans | -79.5 | 157.3 | -159.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G297 | A295-G297 PolarHBondContact O-N 2.85Å; A295-G297 VanDerWaalsContact O-N 3.17Å | ||
| 296 | S | 27.4 | Very low | 31.4 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | 42 | 59.4 | 143.7 | 65.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 297 | G | 28.7 | Very low | 32.5 | Very low | 63 Ų | 63 | 139.6 Ų | 139.6 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | trans | -83.8 | 107.8 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | A295 K299 | A295-G297 PolarHBondContact O-N 2.85Å; A295-G297 VanDerWaalsContact O-N 3.17Å; G297-K299 PolarHBondContact O-N 2.89Å; G297-K299 VanDerWaalsContact O-N 3.16Å | ||
| 298 | Q | 29 | Very low | 33.6 | Very low | 190 Ų | 190 | 137.9 Ų | 137.9 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | trans | -54.9 | 120.5 | 163.9 | -78.6 | -177.8 | -36.9 | 0 | 0 | 108.6 | ||||
| 299 | K | 35.5 | Very low | 35.6 | Very low | 198 Ų | 198 | 138.9 Ų | 138.9 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | trans | -123.9 | 122.2 | 170.7 | -71.4 | -169.6 | 175.8 | -176.6 | 0 | 108.6 | G297 | G297-K299 PolarHBondContact O-N 2.89Å; G297-K299 VanDerWaalsContact O-N 3.16Å | ||
| 300 | H | 31.6 | Very low | 37.6 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | -62.2 | 153.6 | -171.5 | -63.7 | -97.3 | 0 | 0 | 0 | 112.1 | V302 | H300-V302 WeakPolarHBondContact O-CG2 3.27Å; H300-V302 PolarHBondContact O-N 3.33Å | ||
| 301 | S | 31.9 | Very low | 39.6 | Very low | 101 Ų | 101 | 140 Ų | 140 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | trans | -58.9 | 109.3 | 167.5 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | L303 | S301-L303 VanDerWaalsContact C-N 3.26Å; S301-L303 PolarHBondContact O-N 3.47Å; S301-L303 VanDerWaalsContact O-N 3.14Å | ||
| 302 | V | 38.6 | Very low | 41.4 | Very low | 124 Ų | 124 | 138.7 Ų | 138.7 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | trans | -89.2 | 65.9 | 178.2 | -169.5 | 0 | 0 | 0 | 0 | 109.6 | H300 | H300-V302 WeakPolarHBondContact O-CG2 3.27Å; H300-V302 PolarHBondContact O-N 3.33Å | ||
| 303 | L | 35.7 | Very low | 43.5 | Very low | 147 Ų | 147 | 132 Ų | 132 | 77% | 0.77 | 70% | 0.697 | S | S | * | * | trans | -116.1 | 66.5 | 174.1 | -90 | 165.3 | 0 | 0 | 0 | 110.3 | S301 | S301-L303 VanDerWaalsContact C-N 3.26Å; S301-L303 PolarHBondContact O-N 3.47Å; S301-L303 VanDerWaalsContact O-N 3.14Å | ||
| 304 | S | 31.7 | Very low | 45.3 | Very low | 117 Ų | 117 | 128.2 Ų | 128.2 | 82% | 0.818 | 68% | 0.682 | S | S | * | * | trans | -178.6 | 79.3 | 161.1 | -84.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 305 | R | 44.1 | Very low | 47 | Very low | 186 Ų | 186 | 123.3 Ų | 123.3 | 70% | 0.702 | 67% | 0.665 | S | S | * | * | trans | -141 | 105.3 | 158.1 | -74.6 | -168.8 | 177.9 | 172 | -1.1 | 109.5 | Y307 | R305-Y307 HydrophobicContact CB-CD2 4.12Å; R305-Y307 HydrophobicContact CB-CE2 3.54Å; R305-Y307 WeakPolarHBondContact CD-OH 3.43Å; R305-Y307 WeakPolarHBondContact O-CD2 3.4Å; R305-Y307 PolarHBondContact O-N 3.28Å | ||
| 306 | T | 44.8 | Very low | 48.4 | Very low | 149 Ų | 149 | 126.6 Ų | 126.6 | 91% | 0.914 | 66% | 0.663 | S | S | * | * | trans | -78.6 | 100.8 | 170.7 | 48.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 307 | Y | 47.3 | Very low | 49.5 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 45% | 0.447 | 65% | 0.653 | S | S | . | * | trans | -79.5 | 149.6 | 171.7 | -70.6 | -85.3 | 0 | 0 | 0 | 110.3 | R305 Q311 | R305-Y307 HydrophobicContact CB-CD2 4.12Å; R305-Y307 HydrophobicContact CB-CE2 3.54Å; R305-Y307 WeakPolarHBondContact CD-OH 3.43Å; R305-Y307 WeakPolarHBondContact O-CD2 3.4Å; R305-Y307 PolarHBondContact O-N 3.28Å; Y307-Q311 HydrophobicContact CD1-CB 4.27Å | ||
| 308 | S | 55.3 | Low | 50.4 | Low | 54 Ų | 54 | 127.9 Ų | 127.9 | 38% | 0.378 | 65% | 0.652 | S | S | . | * | trans | -66.5 | 155.4 | 168.3 | -165.9 | 0 | 0 | 0 | 0 | 109.9 | E310 Q311 M312 | S308-E310 VanDerWaalsContact C-N 3.26Å; S308-E310 WeakPolarHBondContact CB-OE1 3.21Å; S308-E310 PolarHBondContact O-N 3.02Å; S308-E310 PolarHBondContact OG-OE1 2.79Å; S308-Q311 WeakPolarHBondContact O-CB 3.38Å; S308-Q311 PolarHBondContact O-N 2.98Å; S308-M312 PolarHBondContact O-N 3.1Å | ||
| 309 | K | 69.2 | Low | 51.1 | Low | 163 Ų | 163 | 125.6 Ų | 125.6 | 71% | 0.709 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -54.5 | -45 | -179.9 | -173.1 | -175.6 | 172.6 | -170.7 | 0 | 111.4 | Q311 M312 D313 | K309-Q311 PolarHBondContact O-N 3.41Å; K309-Q311 VanDerWaalsContact O-N 3.14Å; K309-M312 WeakPolarHBondContact O-CB 3.28Å; K309-M312 PolarHBondContact O-N 2.98Å; K309-D313 PolarHBondContact O-N 2.84Å |
| 310 | E | 69 | Low | 51 | Low | 131 Ų | 131 | 122.1 Ų | 122.1 | 61% | 0.612 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -54.9 | -34.5 | 177.5 | -53.5 | 134.6 | -83.4 | 0 | 0 | 112.8 | S308 D313 L314 | S308-E310 VanDerWaalsContact C-N 3.26Å; S308-E310 WeakPolarHBondContact CB-OE1 3.21Å; S308-E310 PolarHBondContact O-N 3.02Å; S308-E310 PolarHBondContact OG-OE1 2.79Å; E310-D313 PolarHBondContact O-N 3Å; E310-L314 WeakPolarHBondContact O-CB 3.41Å; E310-L314 WeakPolarHBondContact O-CG 3.28Å; E310-L314 PolarHBondContact O-N 2.85Å |
| 311 | Q | 69.1 | Low | 50.9 | Low | 95 Ų | 95 | 124.4 Ų | 124.4 | 44% | 0.444 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -77.4 | -24.2 | -179.1 | -61.2 | 175.7 | -38.2 | 0 | 0 | 112.3 | Y307 S308 K309 L315 | Y307-Q311 HydrophobicContact CD1-CB 4.27Å; S308-Q311 WeakPolarHBondContact O-CB 3.38Å; S308-Q311 PolarHBondContact O-N 2.98Å; K309-Q311 PolarHBondContact O-N 3.41Å; K309-Q311 VanDerWaalsContact O-N 3.14Å; Q311-L315 WeakPolarHBondContact O-CD1 3.43Å; Q311-L315 VanDerWaalsContact O-CG 3.28Å; Q311-L315 WeakPolarHBondContact O-CG 3.39Å; Q311-L315 PolarHBondContact O-N 3.36Å |
| 312 | M | 70.2 | Confident | 51.7 | Low | 98 Ų | 98 | 124.6 Ų | 124.6 | 48% | 0.483 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -76.4 | -34.8 | 171.5 | -71.3 | -62.2 | -55.5 | 0 | 0 | 111.8 | S308 K309 K316 | S308-M312 PolarHBondContact O-N 3.1Å; K309-M312 WeakPolarHBondContact O-CB 3.28Å; K309-M312 PolarHBondContact O-N 2.98Å; M312-K316 PolarHBondContact O-N 3.11Å |
| 313 | D | 70.3 | Confident | 51.5 | Low | 69 Ų | 69 | 127 Ų | 127 | 37% | 0.369 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -73.8 | -44.6 | 179.6 | -63.1 | -34 | 0 | 0 | 0 | 110.7 | K309 E310 L315 K316 E317 | K309-D313 PolarHBondContact O-N 2.84Å; E310-D313 PolarHBondContact O-N 3Å; D313-L315 PolarHBondContact O-N 2.74Å; D313-K316 WeakPolarHBondContact O-CB 3.41Å; D313-K316 PolarHBondContact O-N 3.4Å; D313-E317 PolarHBondContact O-N 2.78Å; D313-E317 VanDerWaalsContact O-N 3.15Å |
| 314 | L | 64.8 | Low | 51 | Low | 108 Ų | 108 | 126.6 Ų | 126.6 | 57% | 0.565 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -57.8 | -32.1 | 171.5 | -75.3 | 168.6 | 0 | 0 | 0 | 113.7 | E310 K316 A318 | E310-L314 WeakPolarHBondContact O-CB 3.41Å; E310-L314 WeakPolarHBondContact O-CG 3.28Å; E310-L314 PolarHBondContact O-N 2.85Å; L314-K316 VanDerWaalsContact C-N 3.27Å; L314-K316 PolarHBondContact O-N 3.01Å; L314-A318 VanDerWaalsContact O-CB 3.27Å; L314-A318 WeakPolarHBondContact O-CB 3.44Å; L314-A318 PolarHBondContact O-N 3.01Å; L314-A318 VanDerWaalsContact O-N 3.1Å |
| 315 | L | 62.3 | Low | 50.8 | Low | 107 Ų | 107 | 129.6 Ų | 129.6 | 56% | 0.56 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -75.5 | -12.5 | 175.9 | -78.8 | 172.2 | 0 | 0 | 0 | 113.7 | Q311 D313 | Q311-L315 WeakPolarHBondContact O-CD1 3.43Å; Q311-L315 VanDerWaalsContact O-CG 3.28Å; Q311-L315 WeakPolarHBondContact O-CG 3.39Å; Q311-L315 PolarHBondContact O-N 3.36Å; D313-L315 PolarHBondContact O-N 2.74Å |
| 316 | K | 59 | Low | 50.1 | Low | 156 Ų | 156 | 126 Ų | 126 | 68% | 0.678 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -87.7 | -45.6 | 168.9 | -70.4 | 178.8 | 176.1 | 177.5 | 0 | 111.4 | M312 D313 L314 A318 | M312-K316 PolarHBondContact O-N 3.11Å; D313-K316 WeakPolarHBondContact O-CB 3.41Å; D313-K316 PolarHBondContact O-N 3.4Å; L314-K316 VanDerWaalsContact C-N 3.27Å; L314-K316 PolarHBondContact O-N 3.01Å; K316-A318 VanDerWaalsContact C-N 3.26Å; K316-A318 PolarHBondContact O-N 3.07Å |
| 317 | E | 50.8 | Low | 49.3 | Very low | 136 Ų | 136 | 126.7 Ų | 126.7 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -63.3 | -30.2 | 178.2 | -65.4 | -177.1 | 146.1 | 0 | 0 | 112.7 | D313 N319 D320 | D313-E317 PolarHBondContact O-N 2.78Å; D313-E317 VanDerWaalsContact O-N 3.15Å; E317-N319 PolarHBondContact O-N 2.91Å; E317-D320 PolarHBondContact O-N 3.01Å |
| 318 | A | 49.1 | Very low | 48.5 | Very low | 75 Ų | 75 | 126.5 Ų | 126.5 | 62% | 0.62 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 19.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | L314 K316 | L314-A318 VanDerWaalsContact O-CB 3.27Å; L314-A318 WeakPolarHBondContact O-CB 3.44Å; L314-A318 PolarHBondContact O-N 3.01Å; L314-A318 VanDerWaalsContact O-N 3.1Å; K316-A318 VanDerWaalsContact C-N 3.26Å; K316-A318 PolarHBondContact O-N 3.07Å |
| 319 | N | 42.1 | Very low | 47.1 | Very low | 143 Ų | 143 | 133.8 Ų | 133.8 | 77% | 0.765 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | 11.3 | 171.8 | -75.5 | -84.5 | 0 | 0 | 0 | 113.9 | E317 | E317-N319 PolarHBondContact O-N 2.91Š|
| 320 | D | 33.7 | Very low | 45.2 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 66% | 0.663 | 69% | 0.685 | S | S | * | * | trans | -86.1 | 160.4 | 167.8 | -84.1 | -50.4 | 0 | 0 | 0 | 113.4 | E317 | E317-D320 PolarHBondContact O-N 3.01Š| ||
| 321 | Y | 30.1 | Very low | 43.6 | Very low | 216 Ų | 216 | 130.7 Ų | 130.7 | 85% | 0.847 | 69% | 0.688 | S | S | * | * | trans | 79.2 | 145.1 | 174 | -58.8 | -78.7 | 0 | 0 | 0 | 118.2 | ||||
| 322 | P | 48.8 | Very low | 41.8 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 68% | 0.675 | 70% | 0.697 | S | S | * | * | -137.8 | 153.7 | -64.6 | 32.5 | -14.3 | 0 | 0 | 0 | 113.2 | |||||
| 323 | L | 34.5 | Very low | 39.9 | Very low | 176 Ų | 176 | 132.7 Ų | 132.7 | 92% | 0.921 | 71% | 0.714 | S | S | * | * | trans | -148.5 | 148.5 | 156.9 | -142.3 | 82.3 | 0 | 0 | 0 | 112.1 | ||||
| 324 | N | 25.8 | Very low | 38.2 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | trans | -93.7 | 160.1 | -168.7 | -65 | -45.9 | 0 | 0 | 0 | 114 | ||||
| 325 | E | 26.2 | Very low | 36.6 | Very low | 180 Ų | 180 | 137.4 Ų | 137.4 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | trans | 67.7 | 144.5 | 152.5 | -74.1 | 179.4 | 118.5 | 0 | 0 | 121.3 | ||||
| 326 | S | 29.4 | Very low | 35.1 | Very low | 110 Ų | 110 | 143.5 Ų | 143.5 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | 66.5 | 116.2 | 171.7 | 73.8 | 0 | 0 | 0 | 0 | 117.5 | P328 | S326-P328 VanDerWaalsContact O-CD 3.23Å; S326-P328 WeakPolarHBondContact O-CD 3.46Å | ||
| 327 | I | 28.4 | Very low | 33.6 | Very low | 164 Ų | 164 | 139.8 Ų | 139.8 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | trans | -74.2 | 115.6 | 177.8 | -62.1 | 163.1 | 0 | 0 | 0 | 110.3 | K329 | I327-K329 PolarHBondContact O-N 3.25Š| ||
| 328 | P | 30 | Very low | 32.6 | Very low | 110 Ų | 110 | 141 Ų | 141 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | trans | -84.9 | 97.6 | 173.1 | -1.2 | 21.7 | 0 | 0 | 0 | 109.4 | S326 V330 | S326-P328 VanDerWaalsContact O-CD 3.23Å; S326-P328 WeakPolarHBondContact O-CD 3.46Å; P328-V330 PolarHBondContact O-N 2.95Å | ||
| 329 | K | 25.7 | Very low | 31.5 | Very low | 207 Ų | 207 | 141.2 Ų | 141.2 | 90% | 0.9 | 76% | 0.763 | S | S | * | * | trans | -75.7 | 82.6 | -177.7 | -168.4 | 172.4 | -176.1 | 172.4 | 0 | 111.8 | I327 | I327-K329 PolarHBondContact O-N 3.25Š| ||
| 330 | V | 31 | Very low | 30.9 | Very low | 121 Ų | 121 | 143 Ų | 143 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | -116.7 | 136 | -179.2 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | P328 | P328-V330 PolarHBondContact O-N 2.95Š| ||
| 331 | P | 35.3 | Very low | 30.6 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | trans | -90.6 | 169.4 | -157 | 35.6 | -38.4 | 0 | 0 | 0 | 116.1 | L333 | P331-L333 PolarHBondContact O-N 3.27Å; P331-L333 VanDerWaalsContact O-N 3.14Å | ||
| 332 | A | 29.6 | Very low | 30.4 | Very low | 76 Ų | 76 | 137.2 Ų | 137.2 | 63% | 0.628 | 77% | 0.772 | S | S | * | * | trans | -53.3 | 108.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L334 S335 | A332-L334 PolarHBondContact O-N 3.45Å; A332-S335 PolarHBondContact O-N 3.13Å | ||
| 333 | L | 31.9 | Very low | 29.4 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -2.7 | -177.4 | -75.6 | 172.8 | 0 | 0 | 0 | 115.5 | P331 | P331-L333 PolarHBondContact O-N 3.27Å; P331-L333 VanDerWaalsContact O-N 3.14Å |
| 334 | L | 33.7 | Very low | 29.1 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 93% | 0.927 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | 8.3 | 175.1 | -75.1 | 171.4 | 0 | 0 | 0 | 114.6 | A332 R336 | A332-L334 PolarHBondContact O-N 3.45Å; L334-R336 PolarHBondContact O-N 3.23Å |
| 335 | S | 32.3 | Very low | 29.4 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | trans | -77.4 | 12.6 | 162 | -57.4 | 0 | 0 | 0 | 0 | 113 | A332 S337 | A332-S335 PolarHBondContact O-N 3.13Å; S335-S337 PolarHBondContact O-N 3.35Å | ||
| 336 | R | 31.1 | Very low | 29.7 | Very low | 236 Ų | 236 | 134.5 Ų | 134.5 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | trans | -90.2 | 78.5 | 177.6 | -154.6 | 175.7 | -165.5 | -166.3 | 2.6 | 110.6 | L334 | L334-R336 PolarHBondContact O-N 3.23Š| ||
| 337 | S | 27 | Very low | 29.7 | Very low | 78 Ų | 78 | 133.7 Ų | 133.7 | 55% | 0.545 | 76% | 0.764 | S | S | . | * | trans | -68.1 | 171.7 | -177.5 | 45.2 | 0 | 0 | 0 | 0 | 114.9 | S335 | S335-S337 PolarHBondContact O-N 3.35Š| ||
| 338 | H | 29.8 | Very low | 30.1 | Very low | 161 Ų | 161 | 133.2 Ų | 133.2 | 75% | 0.745 | 76% | 0.764 | S | S | * | * | trans | 106.4 | 97.6 | 159.1 | -50.7 | -60.7 | 0 | 0 | 0 | 118.5 | ||||
| 339 | A | 25.1 | Very low | 30.1 | Very low | 80 Ų | 80 | 134.4 Ų | 134.4 | 66% | 0.661 | 76% | 0.764 | S | S | * | * | trans | 55.4 | 79.3 | 133.1 | 0 | 0 | 0 | 0 | 0 | 119 | T341 | A339-T341 VanDerWaalsContact C-N 3.33Š| ||
| 340 | L | 29.5 | Very low | 30.8 | Very low | 180 Ų | 180 | 133.9 Ų | 133.9 | 94% | 0.942 | 76% | 0.764 | S | S | * | * | trans | -97 | 55.8 | 152 | -66.5 | -179.2 | 0 | 0 | 0 | 110.8 | ||||
| 341 | T | 28 | Very low | 30.9 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | trans | -121.7 | 47 | 176.1 | 57.1 | 0 | 0 | 0 | 0 | 110.9 | A339 | A339-T341 VanDerWaalsContact C-N 3.33Š| ||
| 342 | A | 26.1 | Very low | 31.1 | Very low | 85 Ų | 85 | 134 Ų | 134 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -150.9 | 94.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 343 | S | 26.3 | Very low | 31.8 | Very low | 118 Ų | 118 | 137 Ų | 137 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | 16.8 | 106.8 | 153.5 | 58.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 344 | L | 29.1 | Very low | 32 | Very low | 150 Ų | 150 | 132.3 Ų | 132.3 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | -153.4 | 125.6 | 134.5 | -104.3 | 175.1 | 0 | 0 | 0 | 108.1 | M346 | L344-M346 PolarHBondContact O-N 2.81Å; L344-M346 VanDerWaalsContact O-N 3.09Å | ||
| 345 | P | 31.2 | Very low | 32.6 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 74% | 0.74 | 74% | 0.738 | S | S | * | * | trans | -72.2 | 102 | 168.8 | 29.5 | -31.1 | 0 | 0 | 0 | 108.3 | S347 | P345-S347 VanDerWaalsContact C-N 3.34Å; P345-S347 PolarHBondContact O-N 3.15Å | ||
| 346 | M | 33.9 | Very low | 33.3 | Very low | 160 Ų | 160 | 129.8 Ų | 129.8 | 79% | 0.788 | 74% | 0.736 | S | S | * | * | trans | -70.4 | 95.6 | 165.9 | -75.6 | -60.6 | -60.6 | 0 | 0 | 108.1 | L344 D348 | L344-M346 PolarHBondContact O-N 2.81Å; L344-M346 VanDerWaalsContact O-N 3.09Å; M346-D348 PolarHBondContact O-N 2.91Å | ||
| 347 | S | 28.6 | Very low | 33.4 | Very low | 92 Ų | 92 | 127.5 Ų | 127.5 | 64% | 0.643 | 73% | 0.728 | S | S | * | * | trans | -70.4 | 90.7 | 171.3 | -58.6 | 0 | 0 | 0 | 0 | 109.8 | P345 N349 | P345-S347 VanDerWaalsContact C-N 3.34Å; P345-S347 PolarHBondContact O-N 3.15Å; S347-N349 VanDerWaalsContact C-N 3.26Å; S347-N349 PolarHBondContact O-N 3.32Å | ||
| 348 | D | 36.5 | Very low | 33.7 | Very low | 155 Ų | 155 | 128.1 Ų | 128.1 | 83% | 0.829 | 73% | 0.732 | S | S | * | * | trans | -65.2 | 95.1 | 155.3 | -86 | -23.9 | 0 | 0 | 0 | 107.8 | M346 | M346-D348 PolarHBondContact O-N 2.91Š| ||
| 349 | N | 31.3 | Very low | 34.2 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 72% | 0.717 | 73% | 0.732 | S | S | * | * | trans | -60.3 | 168.3 | 156.8 | -74.7 | -29.7 | 0 | 0 | 0 | 109.5 | S347 | S347-N349 VanDerWaalsContact C-N 3.26Å; S347-N349 PolarHBondContact O-N 3.32Å | ||
| 350 | E | 39.5 | Very low | 34.7 | Very low | 196 Ų | 196 | 130.9 Ų | 130.9 | 92% | 0.916 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 73 | 50.2 | -175.8 | -48.1 | -59.3 | 139.8 | 0 | 0 | 114.4 | ||
| 351 | G | 33.3 | Very low | 34.9 | Very low | 58 Ų | 58 | 129.6 Ų | 129.6 | 60% | 0.598 | 73% | 0.733 | S | S | * | * | trans | -140.1 | -11.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | I353 | G351-I353 VanDerWaalsContact C-N 3.29Å; G351-I353 PolarHBondContact O-N 3.41Å | ||
| 352 | D | 39.6 | Very low | 35.2 | Very low | 174 Ų | 174 | 127.9 Ų | 127.9 | 93% | 0.93 | 73% | 0.726 | S | S | * | * | trans | -72.9 | 81.5 | 177.4 | -96.3 | -27.2 | 0 | 0 | 0 | 110.9 | D354 | D352-D354 PolarHBondContact O-N 3.44Š| ||
| 353 | I | 44 | Very low | 35.4 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 71% | 0.708 | 74% | 0.735 | S | S | * | * | trans | -71.9 | 86 | 171.3 | -59.4 | 171.1 | 0 | 0 | 0 | 107.6 | G351 V355 | G351-I353 VanDerWaalsContact C-N 3.29Å; G351-I353 PolarHBondContact O-N 3.41Å; I353-V355 VanDerWaalsContact C-N 3.28Å; I353-V355 VanDerWaalsContact O-CG2 3.26Å; I353-V355 WeakPolarHBondContact O-CG2 3.41Å; I353-V355 PolarHBondContact O-N 2.86Å | ||
| 354 | D | 36.1 | Very low | 35.6 | Very low | 61 Ų | 61 | 127 Ų | 127 | 33% | 0.326 | 72% | 0.724 | S | S | . | * | trans | -61.5 | 87.8 | 171.8 | -175.9 | -6.5 | 0 | 0 | 0 | 109.6 | D352 T356 R357 | D352-D354 PolarHBondContact O-N 3.44Å; D354-T356 PolarHBondContact O-N 3.05Å; D354-T356 WeakPolarHBondContact OD1-CB 3.41Å; D354-T356 PolarHBondContact OD1-N 3.25Å; D354-T356 PolarHBondContact OD1-OG1 3.06Å; D354-R357 HydrophobicContact CB-CG 4.44Å; D354-R357 PolarHBondContact O-N 2.91Å; D354-R357 IonicContact OD2-CZ 3.88Å; D354-R357 VanDerWaalsContact OD2-CZ 3.29Å; D354-R357 IonicContact OD2-NE 2.95Å; D354-R357 PolarHBondContact OD2-NE 3.22Å; D354-R357 IonicContact OD2-NH2 3.29Å; D354-R357 PolarHBondContact OD2-NH2 2.9Å | ||
| 355 | V | 46.7 | Very low | 36 | Very low | 115 Ų | 115 | 125.6 Ų | 125.6 | 70% | 0.697 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -17.7 | -173.6 | -167.6 | 0 | 0 | 0 | 0 | 112.1 | I353 R357 | I353-V355 VanDerWaalsContact C-N 3.28Å; I353-V355 VanDerWaalsContact O-CG2 3.26Å; I353-V355 WeakPolarHBondContact O-CG2 3.41Å; I353-V355 PolarHBondContact O-N 2.86Å; V355-R357 VanDerWaalsContact C-N 3.33Å; V355-R357 PolarHBondContact O-N 3.1Å |
| 356 | T | 46 | Very low | 36 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 66% | 0.656 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -25.4 | 175.4 | 75.5 | 0 | 0 | 0 | 0 | 113.7 | D354 | D354-T356 PolarHBondContact O-N 3.05Å; D354-T356 WeakPolarHBondContact OD1-CB 3.41Å; D354-T356 PolarHBondContact OD1-N 3.25Å; D354-T356 PolarHBondContact OD1-OG1 3.06Å |
| 357 | R | 34.5 | Very low | 36.1 | Very low | 189 Ų | 189 | 126.2 Ų | 126.2 | 71% | 0.713 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -15.8 | -173.3 | -58.6 | -166.1 | -153.5 | -177.2 | 15 | 115.3 | D354 V355 L359 | D354-R357 HydrophobicContact CB-CG 4.44Å; D354-R357 PolarHBondContact O-N 2.91Å; D354-R357 IonicContact OD2-CZ 3.88Å; D354-R357 VanDerWaalsContact OD2-CZ 3.29Å; D354-R357 IonicContact OD2-NE 2.95Å; D354-R357 PolarHBondContact OD2-NE 3.22Å; D354-R357 IonicContact OD2-NH2 3.29Å; D354-R357 PolarHBondContact OD2-NH2 2.9Å; V355-R357 VanDerWaalsContact C-N 3.33Å; V355-R357 PolarHBondContact O-N 3.1Å; R357-L359 PolarHBondContact O-N 3.43Å |
| 358 | S | 33.5 | Very low | 36.4 | Very low | 90 Ų | 90 | 130.4 Ų | 130.4 | 63% | 0.629 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 12.8 | 178.5 | -60.5 | 0 | 0 | 0 | 0 | 114 | ||
| 359 | L | 39.6 | Very low | 36.2 | Very low | 144 Ų | 144 | 127.7 Ų | 127.7 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | -15.6 | -169.5 | -128.4 | 147.5 | 0 | 0 | 0 | 114 | R357 | R357-L359 PolarHBondContact O-N 3.43Š|
| 360 | D | 34.9 | Very low | 36.3 | Very low | 156 Ų | 156 | 127.3 Ų | 127.3 | 83% | 0.834 | 72% | 0.718 | S | S | * | * | trans | -98.8 | 19.8 | -177.8 | -83.6 | -34.6 | 0 | 0 | 0 | 114.6 | S362 | D360-S362 PolarHBondContact O-N 3.4Š| ||
| 361 | I | 33.4 | Very low | 36.1 | Very low | 153 Ų | 153 | 123.4 Ų | 123.4 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | trans | -87.1 | 94.2 | 168.2 | -55.7 | -178.7 | 0 | 0 | 0 | 109.3 | ||||
| 362 | S | 34.2 | Very low | 36.3 | Very low | 97 Ų | 97 | 123.8 Ų | 123.8 | 68% | 0.678 | 70% | 0.7 | S | S | * | * | trans | -57.1 | 148.1 | 174.7 | 57.5 | 0 | 0 | 0 | 0 | 113.4 | D360 | D360-S362 PolarHBondContact O-N 3.4Š| ||
| 363 | S | 31.6 | Very low | 36.4 | Very low | 127 Ų | 127 | 118.5 Ų | 118.5 | 89% | 0.888 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 60.4 | 81 | 170.3 | 59 | 0 | 0 | 0 | 0 | 116.9 | ||
| 364 | G | 30.7 | Very low | 36.7 | Very low | 57 Ų | 57 | 114.7 Ų | 114.7 | 59% | 0.588 | 67% | 0.666 | S | S | * | * | trans | -168.9 | 106.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | N366 | G364-N366 VanDerWaalsContact C-N 3.31Å; G364-N366 PolarHBondContact O-N 3.14Å | ||
| 365 | V | 35.9 | Very low | 37.2 | Very low | 120 Ų | 120 | 115.3 Ų | 115.3 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | trans | -80.6 | 77.4 | -172.2 | -168.4 | 0 | 0 | 0 | 0 | 110.9 | Q367 | V365-Q367 PolarHBondContact O-N 3.39Š| ||
| 366 | N | 32.7 | Very low | 37.3 | Very low | 129 Ų | 129 | 114.5 Ų | 114.5 | 69% | 0.69 | 66% | 0.661 | S | S | * | * | trans | -65.9 | 98.1 | 173.4 | -79.1 | -22.1 | 0 | 0 | 0 | 110.3 | G364 L368 S369 | G364-N366 VanDerWaalsContact C-N 3.31Å; G364-N366 PolarHBondContact O-N 3.14Å; N366-L368 PolarHBondContact O-N 2.67Å; N366-S369 PolarHBondContact O-N 2.9Å | ||
| 367 | Q | 34.9 | Very low | 37.6 | Very low | 159 Ų | 159 | 111.3 Ų | 111.3 | 74% | 0.743 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -63.1 | -13.6 | -173 | -62 | -174.9 | 8 | 0 | 0 | 114.4 | V365 S369 | V365-Q367 PolarHBondContact O-N 3.39Å; Q367-S369 VanDerWaalsContact C-N 3.34Å |
| 368 | L | 35 | Very low | 38.6 | Very low | 180 Ų | 180 | 106.4 Ų | 106.4 | 94% | 0.942 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -80.8 | -11.6 | 175.8 | -60.5 | 177.6 | 0 | 0 | 0 | 113.8 | N366 | N366-L368 PolarHBondContact O-N 2.67Š|
| 369 | S | 33.2 | Very low | 39.4 | Very low | 97 Ų | 97 | 108.1 Ų | 108.1 | 68% | 0.678 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -98.7 | 6.8 | 175 | -55.7 | 0 | 0 | 0 | 0 | 113.1 | N366 Q367 S371 | N366-S369 PolarHBondContact O-N 2.9Å; Q367-S369 VanDerWaalsContact C-N 3.34Å; S369-S371 PolarHBondContact O-N 3.44Å |
| 370 | Q | 32.6 | Very low | 40 | Very low | 127 Ų | 127 | 106.1 Ų | 106.1 | 59% | 0.593 | 62% | 0.615 | S | S | * | * | trans | -76 | 75.4 | 165.4 | -71.1 | -168.9 | -5.3 | 0 | 0 | 109.9 | L372 | Q370-L372 VanDerWaalsContact C-N 3.33Å; Q370-L372 PolarHBondContact O-N 3.02Å | ||
| 371 | S | 36 | Very low | 40.9 | Very low | 113 Ų | 113 | 99.1 Ų | 99.1 | 79% | 0.79 | 58% | 0.58 | S | S | * | * | trans | -56.5 | 101 | 156.7 | -54.3 | 0 | 0 | 0 | 0 | 107.5 | S369 S373 | S369-S371 PolarHBondContact O-N 3.44Å; S371-S373 PolarHBondContact O-N 2.84Å | ||
| 372 | L | 37.1 | Very low | 41.8 | Very low | 67 Ų | 67 | 100.3 Ų | 100.3 | 35% | 0.351 | 57% | 0.574 | S | S | . | * | trans | -55.2 | 107.5 | -179.8 | -67.5 | 174.4 | 0 | 0 | 0 | 108.5 | Q370 A374 E376 L377 | Q370-L372 VanDerWaalsContact C-N 3.33Å; Q370-L372 PolarHBondContact O-N 3.02Å; L372-A374 PolarHBondContact O-N 3.23Å; L372-E376 HydrophobicContact CD2-CG 4.28Å; L372-E376 WeakPolarHBondContact CD2-OE2 3.49Å; L372-L377 HydrophobicContact CB-CD2 4.31Å; L372-L377 HydrophobicContact CB-CG 4.03Å; L372-L377 HydrophobicContact CD1-CD2 3.9Å | ||
| 373 | S | 42.3 | Very low | 42.7 | Very low | 63 Ų | 63 | 103.4 Ų | 103.4 | 44% | 0.441 | 58% | 0.575 | S | S | . | * | trans | -52.3 | 140.7 | 178.2 | 67 | 0 | 0 | 0 | 0 | 109 | S371 T375 E376 | S371-S373 PolarHBondContact O-N 2.84Å; S373-T375 PolarHBondContact O-N 3.17Å; S373-T375 PolarHBondContact OG-OG1 2.85Å; S373-E376 WeakPolarHBondContact O-CB 3.44Å; S373-E376 PolarHBondContact O-N 2.89Å | ||
| 374 | A | 49.1 | Very low | 43.6 | Very low | 57 Ų | 57 | 98.8 Ų | 98.8 | 47% | 0.471 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -51.9 | -32.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L372 E376 L377 V378 | L372-A374 PolarHBondContact O-N 3.23Å; A374-E376 VanDerWaalsContact C-N 3.29Å; A374-E376 PolarHBondContact O-N 3.27Å; A374-L377 PolarHBondContact O-N 3.08Å; A374-V378 WeakPolarHBondContact O-CB 3.35Å; A374-V378 VanDerWaalsContact O-CG2 3.28Å; A374-V378 WeakPolarHBondContact O-CG2 3.1Å; A374-V378 PolarHBondContact O-N 2.91Å |
| 375 | T | 46.4 | Very low | 44.6 | Very low | 75 Ų | 75 | 99.5 Ų | 99.5 | 46% | 0.46 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -47.6 | -41.2 | 168.5 | 16 | 0 | 0 | 0 | 0 | 115.3 | S373 M379 | S373-T375 PolarHBondContact O-N 3.17Å; S373-T375 PolarHBondContact OG-OG1 2.85Å; T375-M379 WeakPolarHBondContact O-CG 3.43Å; T375-M379 PolarHBondContact O-N 3.31Å; T375-M379 VanDerWaalsContact O-N 3.08Å |
| 376 | E | 50 | Low | 45.1 | Very low | 98 Ų | 98 | 102 Ų | 102 | 46% | 0.458 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -80.8 | -38.7 | -177.4 | -166.4 | 162.2 | -156.3 | 0 | 0 | 111.7 | L372 S373 A374 V378 M379 K380 | L372-E376 HydrophobicContact CD2-CG 4.28Å; L372-E376 WeakPolarHBondContact CD2-OE2 3.49Å; S373-E376 WeakPolarHBondContact O-CB 3.44Å; S373-E376 PolarHBondContact O-N 2.89Å; A374-E376 VanDerWaalsContact C-N 3.29Å; A374-E376 PolarHBondContact O-N 3.27Å; E376-V378 VanDerWaalsContact C-N 3.32Å; E376-V378 PolarHBondContact O-N 3.47Å; E376-M379 PolarHBondContact O-N 3.11Å; E376-K380 PolarHBondContact O-N 2.89Å |
| 377 | L | 51.6 | Low | 45.8 | Very low | 40 Ų | 40 | 101.8 Ų | 101.8 | 21% | 0.209 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -61.1 | -39.1 | 167.9 | -71 | 174.8 | 0 | 0 | 0 | 111.6 | L372 A374 K380 G381 T409 | L372-L377 HydrophobicContact CB-CD2 4.31Å; L372-L377 HydrophobicContact CB-CG 4.03Å; L372-L377 HydrophobicContact CD1-CD2 3.9Å; A374-L377 PolarHBondContact O-N 3.08Å; L377-K380 PolarHBondContact O-N 2.81Å; L377-G381 WeakPolarHBondContact O-CA 3.45Å; L377-G381 PolarHBondContact O-N 2.91Å; L377-T409 HydrophobicContact CD1-CG2 4.5Å |
| 378 | V | 56.2 | Low | 46.6 | Very low | 85 Ų | 85 | 100.5 Ų | 100.5 | 52% | 0.515 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.4 | -37.6 | 174.8 | 167.6 | 0 | 0 | 0 | 0 | 112.1 | A374 E376 R382 | A374-V378 WeakPolarHBondContact O-CB 3.35Å; A374-V378 VanDerWaalsContact O-CG2 3.28Å; A374-V378 WeakPolarHBondContact O-CG2 3.1Å; A374-V378 PolarHBondContact O-N 2.91Å; E376-V378 VanDerWaalsContact C-N 3.32Å; E376-V378 PolarHBondContact O-N 3.47Å; V378-R382 PolarHBondContact O-N 2.84Å |
| 379 | M | 50.3 | Low | 47.3 | Very low | 127 Ų | 127 | 99.7 Ų | 99.7 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.5 | -39.1 | 174.4 | -76.5 | -164.7 | -64.6 | 0 | 0 | 112.7 | T375 E376 | T375-M379 WeakPolarHBondContact O-CG 3.43Å; T375-M379 PolarHBondContact O-N 3.31Å; T375-M379 VanDerWaalsContact O-N 3.08Å; E376-M379 PolarHBondContact O-N 3.11Å |
| 380 | K | 52.8 | Low | 47.8 | Very low | 102 Ų | 102 | 96.9 Ų | 96.9 | 44% | 0.443 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.8 | -43.9 | 175.2 | -152 | 179.7 | -176.7 | -169.1 | 0 | 110.6 | E376 L377 R382 K383 L384 E402 | E376-K380 PolarHBondContact O-N 2.89Å; L377-K380 PolarHBondContact O-N 2.81Å; K380-R382 PolarHBondContact O-N 2.83Å; K380-K383 PolarHBondContact O-N 2.98Å; K380-K383 VanDerWaalsContact O-N 3.09Å; K380-L384 PolarHBondContact O-N 3.1Å; K380-E402 WeakPolarHBondContact CE-OE2 3.26Å; K380-E402 IonicContact NZ-OE1 2.61Å; K380-E402 IonicContact NZ-OE2 2.88Å; K380-E402 PolarHBondContact NZ-OE2 3.45Å |
| 381 | G | 52.7 | Low | 48.6 | Very low | 9 Ų | 9 | 95 Ų | 95 | 9% | 0.093 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -58.1 | -39.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L377 K383 L384 S385 | L377-G381 WeakPolarHBondContact O-CA 3.45Å; L377-G381 PolarHBondContact O-N 2.91Å; G381-K383 PolarHBondContact O-N 3.17Å; G381-L384 CarbonylContact O-C 3.59Å; G381-L384 WeakPolarHBondContact O-CA 3.34Å; G381-L384 PolarHBondContact O-N 2.91Å; G381-S385 PolarHBondContact O-N 2.87Å; G381-S385 PolarHBondContact O-OG 3.04Å |
| 382 | R | 52.3 | Low | 49.5 | Very low | 178 Ų | 178 | 96.7 Ų | 96.7 | 67% | 0.672 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.1 | -31.8 | 173.7 | -92.1 | -171.5 | 171.5 | -171.9 | -2 | 114.1 | V378 K380 L384 S385 | V378-R382 PolarHBondContact O-N 2.84Å; K380-R382 PolarHBondContact O-N 2.83Å; R382-L384 VanDerWaalsContact C-N 3.3Å; R382-S385 WeakPolarHBondContact CA-OG 3.45Å; R382-S385 PolarHBondContact O-OG 3.1Å |
| 383 | K | 52.6 | Low | 50.2 | Low | 162 Ų | 162 | 99.6 Ų | 99.6 | 70% | 0.704 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -79.1 | -12.2 | 174.5 | -66.7 | -173.3 | 176.6 | -178 | 0 | 113.6 | K380 G381 | K380-K383 PolarHBondContact O-N 2.98Å; K380-K383 VanDerWaalsContact O-N 3.09Å; G381-K383 PolarHBondContact O-N 3.17Å |
| 384 | L | 50.5 | Low | 50.9 | Low | 29 Ų | 29 | 101.3 Ų | 101.3 | 15% | 0.152 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -102.6 | -32.1 | 177 | -64.2 | 176.2 | 0 | 0 | 0 | 111.9 | K380 G381 R382 E386 K387 F388 E402 | K380-L384 PolarHBondContact O-N 3.1Å; G381-L384 CarbonylContact O-C 3.59Å; G381-L384 WeakPolarHBondContact O-CA 3.34Å; G381-L384 PolarHBondContact O-N 2.91Å; R382-L384 VanDerWaalsContact C-N 3.3Å; L384-E386 VanDerWaalsContact C-N 3.28Å; L384-E386 PolarHBondContact O-N 3.19Å; L384-K387 CarbonylContact O-C 3.56Å; L384-K387 WeakPolarHBondContact O-CA 3.47Å; L384-K387 WeakPolarHBondContact O-CB 3.23Å; L384-K387 PolarHBondContact O-N 3.37Å; L384-F388 PolarHBondContact O-N 2.81Å; L384-E402 HydrophobicContact CD1-CB 4.2Å |
| 385 | S | 51.7 | Low | 51.1 | Low | 73 Ų | 73 | 100.6 Ų | 100.6 | 51% | 0.51 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65 | -31.8 | 173 | 61.1 | 0 | 0 | 0 | 0 | 112.4 | G381 R382 K387 F388 | G381-S385 PolarHBondContact O-N 2.87Å; G381-S385 PolarHBondContact O-OG 3.04Å; R382-S385 WeakPolarHBondContact CA-OG 3.45Å; R382-S385 PolarHBondContact O-OG 3.1Å; S385-K387 PolarHBondContact O-N 2.97Å; S385-F388 WeakPolarHBondContact O-CB 3.39Å; S385-F388 PolarHBondContact O-N 3.21Å |
| 386 | E | 47.6 | Very low | 52.1 | Low | 173 Ų | 173 | 106.3 Ų | 106.3 | 81% | 0.808 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -16.5 | 170.1 | -167.9 | 168.7 | -143.6 | 0 | 0 | 112.6 | L384 | L384-E386 VanDerWaalsContact C-N 3.28Å; L384-E386 PolarHBondContact O-N 3.19Å |
| 387 | K | 47.9 | Very low | 52.9 | Low | 123 Ų | 123 | 105.8 Ų | 105.8 | 54% | 0.535 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 11.9 | 174.7 | -66.2 | -172 | 174.4 | -172.2 | 0 | 114.1 | L384 S385 N389 A390 | L384-K387 CarbonylContact O-C 3.56Å; L384-K387 WeakPolarHBondContact O-CA 3.47Å; L384-K387 WeakPolarHBondContact O-CB 3.23Å; L384-K387 PolarHBondContact O-N 3.37Å; S385-K387 PolarHBondContact O-N 2.97Å; K387-N389 PolarHBondContact O-N 2.84Å; K387-A390 HydrophobicContact CB-CB 4.43Å; K387-A390 VanDerWaalsContact O-CB 3.27Å; K387-A390 WeakPolarHBondContact O-CB 3.24Å; K387-A390 PolarHBondContact O-N 3.11Å |
| 388 | F | 51.4 | Low | 53.7 | Low | 132 Ų | 132 | 106.8 Ų | 106.8 | 58% | 0.579 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -18.4 | -177.9 | -150.8 | -93.1 | 0 | 0 | 0 | 113.6 | L384 S385 | L384-F388 PolarHBondContact O-N 2.81Å; S385-F388 WeakPolarHBondContact O-CB 3.39Å; S385-F388 PolarHBondContact O-N 3.21Å |
| 389 | N | 48.2 | Very low | 54.6 | Low | 163 Ų | 163 | 104.8 Ų | 104.8 | 87% | 0.872 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 5.2 | 172.7 | -68.1 | -8.8 | 0 | 0 | 0 | 114.2 | K387 | K387-N389 PolarHBondContact O-N 2.84Š|
| 390 | A | 45.4 | Very low | 55.8 | Low | 39 Ų | 39 | 101.4 Ų | 101.4 | 32% | 0.322 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -82.7 | 117.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | K387 Y392 | K387-A390 HydrophobicContact CB-CB 4.43Å; K387-A390 VanDerWaalsContact O-CB 3.27Å; K387-A390 WeakPolarHBondContact O-CB 3.24Å; K387-A390 PolarHBondContact O-N 3.11Å; A390-Y392 PolarHBondContact O-N 2.84Å |
| 391 | S | 49.2 | Very low | 56.9 | Low | 87 Ų | 87 | 103.5 Ų | 103.5 | 61% | 0.608 | 53% | 0.534 | S | S | * | . | trans | -51.3 | 137.6 | 175.5 | -49.4 | 0 | 0 | 0 | 0 | 111 | S393 S394 | S391-S393 PolarHBondContact O-N 3.31Å; S391-S394 WeakPolarHBondContact O-CB 3.43Å; S391-S394 PolarHBondContact O-N 3.13Å | ||
| 392 | Y | 53.1 | Low | 58 | Low | 149 Ų | 149 | 105.1 Ų | 105.1 | 58% | 0.584 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -48.6 | -35.2 | -177.8 | -70.6 | -83.7 | 0 | 0 | 0 | 113.5 | A390 S394 M395 L403 | A390-Y392 PolarHBondContact O-N 2.84Å; Y392-S394 PolarHBondContact O-N 3.43Å; Y392-M395 HydrophobicContact CD1-SD 4.18Å; Y392-M395 PolarHBondContact O-N 2.83Å; Y392-M395 VanDerWaalsContact O-N 3.1Å; Y392-L403 HydrophobicContact CE1-CD2 4.06Å |
| 393 | S | 53.8 | Low | 59.2 | Low | 127 Ų | 127 | 97.4 Ų | 97.4 | 89% | 0.888 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -59.2 | -12.4 | 175.1 | -31.4 | 0 | 0 | 0 | 0 | 115.7 | S391 | S391-S393 PolarHBondContact O-N 3.31Š|
| 394 | S | 55.2 | Low | 60.4 | Low | 99 Ų | 99 | 92 Ų | 92 | 69% | 0.692 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -104.8 | -9.4 | 179.8 | -165.9 | 0 | 0 | 0 | 0 | 113.2 | S391 Y392 | S391-S394 WeakPolarHBondContact O-CB 3.43Å; S391-S394 PolarHBondContact O-N 3.13Å; Y392-S394 PolarHBondContact O-N 3.43Å |
| 395 | M | 54.5 | Low | 61.8 | Low | 42 Ų | 42 | 95.9 Ų | 95.9 | 21% | 0.207 | 51% | 0.51 | C | S | . | . | S | Bend | trans | -79.9 | 141.1 | 180 | -64.8 | -178.8 | 66.2 | 0 | 0 | 111 | Y392 D399 V400 L403 | Y392-M395 HydrophobicContact CD1-SD 4.18Å; Y392-M395 PolarHBondContact O-N 2.83Å; Y392-M395 VanDerWaalsContact O-N 3.1Å; M395-D399 HydrophobicContact CB-CB 4.4Å; M395-D399 VanDerWaalsContact CE-C 3.47Å; M395-D399 HydrophobicContact CE-CB 3.79Å; M395-D399 WeakPolarHBondContact CE-O 3.43Å; M395-V400 HydrophobicContact CB-CG2 3.73Å; M395-V400 HydrophobicContact CE-CG2 4.19Å; M395-V400 HydrophobicContact SD-CG2 4.36Å; M395-L403 HydrophobicContact CE-CB 4.12Å; M395-L403 HydrophobicContact CE-CD2 4.17Å; M395-L403 HydrophobicContact SD-CD2 4.49Å |
| 396 | R | 66.3 | Low | 63.2 | Low | 195 Ų | 195 | 95 Ų | 95 | 74% | 0.736 | 50% | 0.499 | S | S | * | . | trans | -70.1 | 149.3 | 164.8 | -74.4 | -179.2 | 166.8 | 141.4 | -1.2 | 108.8 | S398 D399 V400 | R396-S398 PolarHBondContact O-N 2.82Å; R396-S398 VanDerWaalsContact O-N 3.15Å; R396-D399 WeakPolarHBondContact O-CA 3.44Å; R396-D399 WeakPolarHBondContact O-CB 3.49Å; R396-D399 PolarHBondContact O-N 2.9Å; R396-V400 PolarHBondContact O-N 3.42Å | ||
| 397 | S | 66.8 | Low | 64.8 | Low | 88 Ų | 88 | 90.9 Ų | 90.9 | 62% | 0.615 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -54.5 | -36.1 | -179.8 | 50.4 | 0 | 0 | 0 | 0 | 112.9 | D399 V400 F401 | S397-D399 VanDerWaalsContact C-N 3.28Å; S397-D399 PolarHBondContact O-N 3.15Å; S397-V400 PolarHBondContact O-N 2.93Å; S397-F401 WeakPolarHBondContact O-CD2 3.48Å; S397-F401 PolarHBondContact O-N 3.5Å; S397-F401 VanDerWaalsContact O-N 3.13Å |
| 398 | S | 70.2 | Confident | 66.2 | Low | 61 Ų | 61 | 89 Ų | 89 | 43% | 0.427 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -51.6 | -44.8 | 169.5 | 52.1 | 0 | 0 | 0 | 0 | 113.4 | R396 V400 F401 E402 | R396-S398 PolarHBondContact O-N 2.82Å; R396-S398 VanDerWaalsContact O-N 3.15Å; S398-V400 VanDerWaalsContact C-N 3.33Å; S398-F401 PolarHBondContact O-N 3.38Å; S398-E402 VanDerWaalsContact O-CG 3.24Å; S398-E402 WeakPolarHBondContact O-CG 3.2Å; S398-E402 PolarHBondContact O-N 2.9Å |
| 399 | D | 74.3 | Confident | 67.4 | Low | 42 Ų | 42 | 84.6 Ų | 84.6 | 23% | 0.225 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -74.6 | -31.1 | -173.2 | -52.5 | -4.3 | 0 | 0 | 0 | 109.8 | M395 R396 S397 L403 | M395-D399 HydrophobicContact CB-CB 4.4Å; M395-D399 VanDerWaalsContact CE-C 3.47Å; M395-D399 HydrophobicContact CE-CB 3.79Å; M395-D399 WeakPolarHBondContact CE-O 3.43Å; R396-D399 WeakPolarHBondContact O-CA 3.44Å; R396-D399 WeakPolarHBondContact O-CB 3.49Å; R396-D399 PolarHBondContact O-N 2.9Å; S397-D399 VanDerWaalsContact C-N 3.28Å; S397-D399 PolarHBondContact O-N 3.15Å; D399-L403 VanDerWaalsContact O-CB 3.29Å; D399-L403 WeakPolarHBondContact O-CB 3.42Å; D399-L403 PolarHBondContact O-N 3.34Å |
| 400 | V | 75.8 | Confident | 68.8 | Low | 57 Ų | 57 | 82 Ų | 82 | 35% | 0.345 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.1 | -45.7 | 174.2 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | M395 R396 S397 S398 E402 L403 A404 | M395-V400 HydrophobicContact CB-CG2 3.73Å; M395-V400 HydrophobicContact CE-CG2 4.19Å; M395-V400 HydrophobicContact SD-CG2 4.36Å; R396-V400 PolarHBondContact O-N 3.42Å; S397-V400 PolarHBondContact O-N 2.93Å; S398-V400 VanDerWaalsContact C-N 3.33Å; V400-E402 PolarHBondContact O-N 3.36Å; V400-L403 PolarHBondContact O-N 3.27Å; V400-A404 WeakPolarHBondContact O-CB 3.41Å; V400-A404 PolarHBondContact O-N 3.09Å |
| 401 | F | 75.2 | Confident | 70.2 | Confident | 146 Ų | 146 | 85.4 Ų | 85.4 | 64% | 0.64 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -65.3 | -37.4 | 176 | -71.1 | -63.1 | 0 | 0 | 0 | 112.8 | S397 S398 R405 | S397-F401 WeakPolarHBondContact O-CD2 3.48Å; S397-F401 PolarHBondContact O-N 3.5Å; S397-F401 VanDerWaalsContact O-N 3.13Å; S398-F401 PolarHBondContact O-N 3.38Å; F401-R405 WeakPolarHBondContact O-CB 3.27Å; F401-R405 PolarHBondContact O-N 3.45Å |
| 402 | E | 75.7 | Confident | 71.4 | Confident | 42 Ų | 42 | 89.6 Ų | 89.6 | 20% | 0.196 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -69.9 | -34.8 | 174.5 | -64.3 | -80.5 | 129.9 | 0 | 0 | 111.8 | K380 L384 S398 V400 R405 L406 | K380-E402 WeakPolarHBondContact CE-OE2 3.26Å; K380-E402 IonicContact NZ-OE1 2.61Å; K380-E402 IonicContact NZ-OE2 2.88Å; K380-E402 PolarHBondContact NZ-OE2 3.45Å; L384-E402 HydrophobicContact CD1-CB 4.2Å; S398-E402 VanDerWaalsContact O-CG 3.24Å; S398-E402 WeakPolarHBondContact O-CG 3.2Å; S398-E402 PolarHBondContact O-N 2.9Å; V400-E402 PolarHBondContact O-N 3.36Å; E402-R405 IonicContact OE1-CZ 3.52Å; E402-R405 IonicContact OE1-NH1 2.75Å; E402-R405 PolarHBondContact OE1-NH1 3.48Å; E402-R405 IonicContact OE1-NH2 3.41Å; E402-R405 IonicContact OE2-NH1 2.68Å; E402-L406 VanDerWaalsContact O-CB 3.32Å; E402-L406 WeakPolarHBondContact O-CB 3.36Å; E402-L406 PolarHBondContact O-N 2.94Å |
| 403 | L | 78.8 | Confident | 72.1 | Confident | 16 Ų | 16 | 88.4 Ų | 88.4 | 8% | 0.084 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -67.5 | -45.3 | 173.8 | -167.3 | 83.3 | 0 | 0 | 0 | 111.6 | Y392 M395 D399 V400 R405 L406 Q407 | Y392-L403 HydrophobicContact CE1-CD2 4.06Å; M395-L403 HydrophobicContact CE-CB 4.12Å; M395-L403 HydrophobicContact CE-CD2 4.17Å; M395-L403 HydrophobicContact SD-CD2 4.49Å; D399-L403 VanDerWaalsContact O-CB 3.29Å; D399-L403 WeakPolarHBondContact O-CB 3.42Å; D399-L403 PolarHBondContact O-N 3.34Å; V400-L403 PolarHBondContact O-N 3.27Å; L403-R405 PolarHBondContact O-N 3.2Å; L403-L406 WeakPolarHBondContact O-CB 3.49Å; L403-L406 PolarHBondContact O-N 3.37Å; L403-Q407 WeakPolarHBondContact O-CG 3.41Å; L403-Q407 PolarHBondContact O-N 2.97Å |
| 404 | A | 77.7 | Confident | 72.3 | Confident | 50 Ų | 50 | 88.9 Ų | 88.9 | 41% | 0.413 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V400 L406 Q407 E408 | V400-A404 WeakPolarHBondContact O-CB 3.41Å; V400-A404 PolarHBondContact O-N 3.09Å; A404-L406 PolarHBondContact O-N 3.22Å; A404-Q407 PolarHBondContact O-N 2.88Å; A404-E408 WeakPolarHBondContact O-CB 3.47Å; A404-E408 PolarHBondContact O-N 3.34Å |
| 405 | R | 78.9 | Confident | 72.3 | Confident | 110 Ų | 110 | 88.3 Ų | 88.3 | 42% | 0.415 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 173.3 | -164.8 | -172.2 | -58 | 129.9 | 8.1 | 112.1 | F401 E402 L403 E408 T409 | F401-R405 WeakPolarHBondContact O-CB 3.27Å; F401-R405 PolarHBondContact O-N 3.45Å; E402-R405 IonicContact OE1-CZ 3.52Å; E402-R405 IonicContact OE1-NH1 2.75Å; E402-R405 PolarHBondContact OE1-NH1 3.48Å; E402-R405 IonicContact OE1-NH2 3.41Å; E402-R405 IonicContact OE2-NH1 2.68Å; L403-R405 PolarHBondContact O-N 3.2Å; R405-E408 PolarHBondContact O-N 3.25Å; R405-T409 WeakPolarHBondContact O-CG2 3.22Å; R405-T409 PolarHBondContact O-N 3.47Å; R405-T409 PolarHBondContact O-OG1 3.35Å |
| 406 | L | 81.5 | Confident | 71.9 | Confident | 54 Ų | 54 | 88.5 Ų | 88.5 | 28% | 0.283 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 176.3 | -174.8 | 65.7 | 0 | 0 | 0 | 111.2 | E402 L403 A404 T409 H410 | E402-L406 VanDerWaalsContact O-CB 3.32Å; E402-L406 WeakPolarHBondContact O-CB 3.36Å; E402-L406 PolarHBondContact O-N 2.94Å; L403-L406 WeakPolarHBondContact O-CB 3.49Å; L403-L406 PolarHBondContact O-N 3.37Å; A404-L406 PolarHBondContact O-N 3.22Å; L406-T409 WeakPolarHBondContact CA-OG1 3.43Å; L406-T409 PolarHBondContact O-N 3.38Å; L406-T409 PolarHBondContact O-OG1 3.15Å; L406-H410 WeakPolarHBondContact O-CB 3.25Å; L406-H410 PolarHBondContact O-N 2.94Å |
| 407 | Q | 81.2 | Confident | 71 | Confident | 86 Ų | 86 | 84.4 Ų | 84.4 | 40% | 0.402 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 172.6 | -73.9 | 174.2 | -29.3 | 0 | 0 | 111.5 | L403 A404 T409 H410 L411 | L403-Q407 WeakPolarHBondContact O-CG 3.41Å; L403-Q407 PolarHBondContact O-N 2.97Å; A404-Q407 PolarHBondContact O-N 2.88Å; Q407-T409 PolarHBondContact O-N 2.9Å; Q407-H410 PolarHBondContact O-N 3.48Å; Q407-L411 WeakPolarHBondContact O-CB 3.35Å; Q407-L411 VanDerWaalsContact O-CG 3.3Å; Q407-L411 WeakPolarHBondContact O-CG 3.43Å; Q407-L411 PolarHBondContact O-N 3.46Å |
| 408 | E | 78.1 | Confident | 70.1 | Confident | 85 Ų | 85 | 89.7 Ų | 89.7 | 40% | 0.397 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 174.8 | -164 | -153.7 | 161 | 0 | 0 | 111.8 | A404 R405 H410 L411 R412 | A404-E408 WeakPolarHBondContact O-CB 3.47Å; A404-E408 PolarHBondContact O-N 3.34Å; R405-E408 PolarHBondContact O-N 3.25Å; E408-H410 PolarHBondContact O-N 3.22Å; E408-L411 PolarHBondContact O-N 3.4Å; E408-R412 WeakPolarHBondContact O-CB 3.46Å; E408-R412 WeakPolarHBondContact O-CG 3.33Å; E408-R412 PolarHBondContact O-N 2.98Å; E408-R412 IonicContact OE1-CZ 2.73Å; E408-R412 IonicContact OE1-NE 2.67Å; E408-R412 PolarHBondContact OE1-NE 2.97Å; E408-R412 IonicContact OE1-NH2 2.64Å; E408-R412 PolarHBondContact OE1-NH2 3.35Å |
| 409 | T | 76.5 | Confident | 68.8 | Low | 39 Ų | 39 | 91.7 Ų | 91.7 | 24% | 0.239 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 176.5 | 51.6 | 0 | 0 | 0 | 0 | 112.3 | L377 R405 L406 Q407 R412 E413 | L377-T409 HydrophobicContact CD1-CG2 4.5Å; R405-T409 WeakPolarHBondContact O-CG2 3.22Å; R405-T409 PolarHBondContact O-N 3.47Å; R405-T409 PolarHBondContact O-OG1 3.35Å; L406-T409 WeakPolarHBondContact CA-OG1 3.43Å; L406-T409 PolarHBondContact O-N 3.38Å; L406-T409 PolarHBondContact O-OG1 3.15Å; Q407-T409 PolarHBondContact O-N 2.9Å; T409-R412 PolarHBondContact O-N 3.43Å; T409-E413 WeakPolarHBondContact O-CG 3.34Å; T409-E413 PolarHBondContact O-N 3.14Å |
| 410 | H | 76.8 | Confident | 67.2 | Low | 107 Ų | 107 | 98.5 Ų | 98.5 | 50% | 0.495 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.8 | -38.1 | 178.2 | -164.3 | 48.4 | 0 | 0 | 0 | 111.6 | L406 Q407 E408 E413 H414 | L406-H410 WeakPolarHBondContact O-CB 3.25Å; L406-H410 PolarHBondContact O-N 2.94Å; Q407-H410 PolarHBondContact O-N 3.48Å; E408-H410 PolarHBondContact O-N 3.22Å; H410-E413 PolarHBondContact O-N 2.97Å; H410-H414 AromaticContact CE1-CD2 3.35Å; H410-H414 PolarHBondContact CE1-CD2 2.61Å; H410-H414 AromaticContact CE1-NE2 3.04Å; H410-H414 PolarHBondContact CE1-NE2 3.16Å; H410-H414 AromaticContact CG-CD2 3.96Å; H410-H414 AromaticContact ND1-CD2 3.47Å; H410-H414 PolarHBondContact ND1-CD2 2.88Å; H410-H414 AromaticContact ND1-NE2 3.47Å; H410-H414 PolarHBondContact ND1-NE2 3.41Å; H410-H414 AromaticContact NE2-CD2 3.78Å; H410-H414 AromaticContact NE2-NE2 3.75Å; H410-H414 WeakPolarHBondContact O-CB 3.36Å; H410-H414 PolarHBondContact O-CD2 3.01Å; H410-H414 VanDerWaalsContact O-CD2 3.24Å; H410-H414 PolarHBondContact O-N 3.06Å |
| 411 | L | 75.5 | Confident | 65.6 | Low | 111 Ų | 111 | 101.6 Ų | 101.6 | 58% | 0.581 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65 | -43.3 | 170.2 | -73 | 170 | 0 | 0 | 0 | 111.4 | Q407 E408 E413 H414 S415 | Q407-L411 WeakPolarHBondContact O-CB 3.35Å; Q407-L411 VanDerWaalsContact O-CG 3.3Å; Q407-L411 WeakPolarHBondContact O-CG 3.43Å; Q407-L411 PolarHBondContact O-N 3.46Å; E408-L411 PolarHBondContact O-N 3.4Å; L411-E413 VanDerWaalsContact C-N 3.33Å; L411-E413 PolarHBondContact O-N 3.27Å; L411-H414 PolarHBondContact O-N 3.18Å; L411-S415 WeakPolarHBondContact O-CB 3.3Å; L411-S415 PolarHBondContact O-N 3.28Å; L411-S415 PolarHBondContact O-OG 3.17Å; L411-S415 VanDerWaalsContact O-OG 3.04Å |
| 412 | R | 73.9 | Confident | 63.9 | Low | 176 Ų | 176 | 102 Ų | 102 | 66% | 0.664 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.3 | -38 | 175.5 | -75.3 | 176.9 | -178.1 | -103.2 | 4.8 | 112.6 | E408 T409 | E408-R412 WeakPolarHBondContact O-CB 3.46Å; E408-R412 WeakPolarHBondContact O-CG 3.33Å; E408-R412 PolarHBondContact O-N 2.98Å; E408-R412 IonicContact OE1-CZ 2.73Å; E408-R412 IonicContact OE1-NE 2.67Å; E408-R412 PolarHBondContact OE1-NE 2.97Å; E408-R412 IonicContact OE1-NH2 2.64Å; E408-R412 PolarHBondContact OE1-NH2 3.35Å; T409-R412 PolarHBondContact O-N 3.43Å |
| 413 | E | 67.3 | Low | 62.1 | Low | 123 Ų | 123 | 104.4 Ų | 104.4 | 58% | 0.575 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.7 | -45.2 | 174.1 | -74 | 178.2 | 166.8 | 0 | 0 | 111.7 | T409 H410 L411 G416 | T409-E413 WeakPolarHBondContact O-CG 3.34Å; T409-E413 PolarHBondContact O-N 3.14Å; H410-E413 PolarHBondContact O-N 2.97Å; L411-E413 VanDerWaalsContact C-N 3.33Å; L411-E413 PolarHBondContact O-N 3.27Å; E413-G416 PolarHBondContact O-N 3.17Å |
| 414 | H | 58.8 | Low | 59.9 | Low | 138 Ų | 138 | 108 Ų | 108 | 64% | 0.639 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -83.8 | -25.5 | -177.1 | -72.4 | -55.5 | 0 | 0 | 0 | 115.2 | H410 L411 G416 | H410-H414 AromaticContact CE1-CD2 3.35Å; H410-H414 PolarHBondContact CE1-CD2 2.61Å; H410-H414 AromaticContact CE1-NE2 3.04Å; H410-H414 PolarHBondContact CE1-NE2 3.16Å; H410-H414 AromaticContact CG-CD2 3.96Å; H410-H414 AromaticContact ND1-CD2 3.47Å; H410-H414 PolarHBondContact ND1-CD2 2.88Å; H410-H414 AromaticContact ND1-NE2 3.47Å; H410-H414 PolarHBondContact ND1-NE2 3.41Å; H410-H414 AromaticContact NE2-CD2 3.78Å; H410-H414 AromaticContact NE2-NE2 3.75Å; H410-H414 WeakPolarHBondContact O-CB 3.36Å; H410-H414 PolarHBondContact O-CD2 3.01Å; H410-H414 VanDerWaalsContact O-CD2 3.24Å; H410-H414 PolarHBondContact O-N 3.06Å; L411-H414 PolarHBondContact O-N 3.18Å; H414-G416 PolarHBondContact O-N 2.95Å |
| 415 | S | 55.1 | Low | 57.6 | Low | 86 Ų | 86 | 113.7 Ų | 113.7 | 60% | 0.601 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 4.1 | 167 | -63.3 | 0 | 0 | 0 | 0 | 112.8 | L411 S417 | L411-S415 WeakPolarHBondContact O-CB 3.3Å; L411-S415 PolarHBondContact O-N 3.28Å; L411-S415 PolarHBondContact O-OG 3.17Å; L411-S415 VanDerWaalsContact O-OG 3.04Å; S415-S417 PolarHBondContact O-N 3.08Å |
| 416 | G | 45.7 | Very low | 55.4 | Low | 46 Ų | 46 | 114 Ų | 114 | 47% | 0.474 | 61% | 0.606 | S | S | . | * | trans | -63.3 | 18.6 | 178 | 0 | 0 | 0 | 0 | 0 | 117 | E413 H414 R418 | E413-G416 PolarHBondContact O-N 3.17Å; H414-G416 PolarHBondContact O-N 2.95Å; G416-R418 PolarHBondContact O-N 2.76Å | ||
| 417 | S | 46.6 | Very low | 53.2 | Low | 110 Ų | 110 | 115.8 Ų | 115.8 | 77% | 0.769 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 29.1 | 174.6 | -153.3 | 0 | 0 | 0 | 0 | 113.5 | S415 | S415-S417 PolarHBondContact O-N 3.08Š|
| 418 | R | 47.9 | Very low | 50.8 | Low | 199 Ų | 199 | 120.6 Ų | 120.6 | 75% | 0.751 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -1.1 | 175.4 | -67 | -174.3 | 67.5 | 168.6 | 1.1 | 113.2 | G416 K420 L421 | G416-R418 PolarHBondContact O-N 2.76Å; R418-K420 PolarHBondContact O-N 2.9Å; R418-L421 PolarHBondContact O-N 2.69Å |
| 419 | S | 43.3 | Very low | 48.7 | Very low | 102 Ų | 102 | 122.4 Ų | 122.4 | 71% | 0.713 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 21.6 | 178.1 | 56 | 0 | 0 | 0 | 0 | 115.3 | ||
| 420 | K | 41.1 | Very low | 46.7 | Very low | 185 Ų | 185 | 129.9 Ų | 129.9 | 80% | 0.804 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.7 | 14.5 | 175.6 | -75.6 | -166.5 | 174.2 | -178.6 | 0 | 114.5 | R418 D422 | R418-K420 PolarHBondContact O-N 2.9Å; K420-D422 VanDerWaalsContact C-N 3.27Å; K420-D422 PolarHBondContact O-N 2.68Å |
| 421 | L | 43 | Very low | 44.4 | Very low | 122 Ų | 122 | 130 Ų | 130 | 64% | 0.639 | 71% | 0.714 | S | S | * | * | trans | -94.4 | 54 | 163.8 | -64.9 | -179.6 | 0 | 0 | 0 | 111.1 | R418 C423 | R418-L421 PolarHBondContact O-N 2.69Å; L421-C423 PolarHBondContact O-N 2.88Å | ||
| 422 | D | 39.1 | Very low | 42.2 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 83% | 0.834 | 72% | 0.72 | S | S | * | * | trans | -70.7 | 54.3 | 152.4 | -79.4 | -40.7 | 0 | 0 | 0 | 109.2 | K420 S424 | K420-D422 VanDerWaalsContact C-N 3.27Å; K420-D422 PolarHBondContact O-N 2.68Å; D422-S424 PolarHBondContact O-N 2.86Å | ||
| 423 | C | 37 | Very low | 40.1 | Very low | 92 Ų | 92 | 131.2 Ų | 131.2 | 62% | 0.622 | 73% | 0.732 | S | S | * | * | trans | -93.3 | 89.1 | 175 | -68.9 | 0 | 0 | 0 | 0 | 107.4 | L421 | L421-C423 PolarHBondContact O-N 2.88Š| ||
| 424 | S | 33 | Very low | 38.3 | Very low | 91 Ų | 91 | 129 Ų | 129 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | trans | -40.4 | 135.9 | 177.6 | -54.9 | 0 | 0 | 0 | 0 | 113 | D422 T426 | D422-S424 PolarHBondContact O-N 2.86Å; S424-T426 PolarHBondContact O-N 3.22Å | ||
| 425 | N | 29.4 | Very low | 37.2 | Very low | 169 Ų | 169 | 129.2 Ų | 129.2 | 90% | 0.904 | 75% | 0.748 | S | S | * | * | trans | -71.7 | 59.5 | 169.5 | -71.6 | -22.5 | 0 | 0 | 0 | 111.4 | S427 | N425-S427 PolarHBondContact O-N 2.91Š| ||
| 426 | T | 33.5 | Very low | 36 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 71% | 0.712 | 76% | 0.756 | S | S | * | * | trans | -86.1 | 90.9 | 171.8 | 48 | 0 | 0 | 0 | 0 | 109.4 | S424 | S424-T426 PolarHBondContact O-N 3.22Š| ||
| 427 | S | 34.5 | Very low | 35.3 | Very low | 92 Ų | 92 | 138.7 Ų | 138.7 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | trans | 6.6 | 114.5 | 160.9 | -52 | 0 | 0 | 0 | 0 | 117.7 | N425 T429 | N425-S427 PolarHBondContact O-N 2.91Å; S427-T429 PolarHBondContact O-N 2.89Å | ||
| 428 | L | 31 | Very low | 35 | Very low | 187 Ų | 187 | 142.8 Ų | 142.8 | 98% | 0.979 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -72.9 | 47 | 164.7 | -69.2 | 170.9 | 0 | 0 | 0 | 112.1 | ||
| 429 | T | 34.7 | Very low | 34.1 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -141.7 | 45 | -176.9 | 64.6 | 0 | 0 | 0 | 0 | 112.1 | S427 | S427-T429 PolarHBondContact O-N 2.89Š| ||
| 430 | E | 33.6 | Very low | 33.3 | Very low | 197 Ų | 197 | 147.2 Ų | 147.2 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | trans | -127.2 | 121.5 | 159 | -162.5 | 154.9 | -127.2 | 0 | 0 | 109.3 | ||||
| 431 | S | 28.5 | Very low | 32.8 | Very low | 110 Ų | 110 | 147.7 Ų | 147.7 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -106.9 | 161.3 | -165 | 58 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 432 | S | 29.5 | Very low | 32.2 | Very low | 103 Ų | 103 | 150.6 Ų | 150.6 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | 85 | 100.9 | 159.5 | -160.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 433 | F | 30.3 | Very low | 31.6 | Very low | 208 Ų | 208 | 148.7 Ų | 148.7 | 91% | 0.912 | 79% | 0.792 | S | S | * | * | trans | 25.3 | 111.4 | 133.5 | -67.4 | -85.1 | 0 | 0 | 0 | 119.9 | ||||
| 434 | G | 28.9 | Very low | 31.3 | Very low | 76 Ų | 76 | 149.6 Ų | 149.6 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | 103 | 119.2 | 125.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 435 | D | 35.7 | Very low | 31.1 | Very low | 143 Ų | 143 | 149.9 Ų | 149.9 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | -162.3 | 104.1 | 109.4 | -134.5 | -26.3 | 0 | 0 | 0 | 112.5 | K437 | D435-K437 VanDerWaalsContact C-N 3.25Å; D435-K437 PolarHBondContact O-N 3.32Å | |||
| 436 | E | 28.7 | Very low | 31 | Very low | 163 Ų | 163 | 146.9 Ų | 146.9 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | -84.8 | 50.1 | 179.9 | -160 | -151 | 146 | 0 | 0 | 112.4 | R439 | E436-R439 IonicContact OE1-NH2 3.61Š| ||
| 437 | K | 32.6 | Very low | 30.5 | Very low | 169 Ų | 169 | 145.1 Ų | 145.1 | 74% | 0.735 | 81% | 0.811 | S | S | * | * | trans | -131.2 | 27.8 | -167.5 | -80 | -164.1 | 175.1 | 178.4 | 0 | 119.1 | D435 | D435-K437 VanDerWaalsContact C-N 3.25Å; D435-K437 PolarHBondContact O-N 3.32Å | ||
| 438 | H | 39.6 | Very low | 30.5 | Very low | 195 Ų | 195 | 146.2 Ų | 146.2 | 90% | 0.903 | 82% | 0.819 | S | S | * | * | trans | -118.1 | 59.8 | 167.3 | -69.8 | -51.8 | 0 | 0 | 0 | 114.7 | K440 | H438-K440 PolarHBondContact O-N 3.36Š| ||
| 439 | R | 29.6 | Very low | 30.3 | Very low | 208 Ų | 208 | 146 Ų | 146 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | -77.1 | 115.7 | 166.3 | -81.5 | -174.3 | 179.4 | 179.1 | 3.5 | 111.7 | E436 | E436-R439 IonicContact OE1-NH2 3.61Š| ||
| 440 | K | 26.3 | Very low | 29.9 | Very low | 186 Ų | 186 | 142.9 Ų | 142.9 | 81% | 0.809 | 81% | 0.808 | S | S | * | * | trans | 64.4 | 118.7 | 158.6 | -54.1 | 177.8 | 179.9 | -178.5 | 0 | 117.1 | H438 | H438-K440 PolarHBondContact O-N 3.36Š| ||
| 441 | H | 31.2 | Very low | 29.6 | Very low | 195 Ų | 195 | 142.4 Ų | 142.4 | 90% | 0.903 | 81% | 0.806 | S | S | * | * | trans | -150.5 | 150.8 | 131.3 | -111.8 | -83.3 | 0 | 0 | 0 | 113 | ||||
| 442 | K | 28.6 | Very low | 29.6 | Very low | 183 Ų | 183 | 147.3 Ų | 147.3 | 80% | 0.796 | 81% | 0.814 | S | S | * | * | trans | -63.8 | 136.8 | -166 | -65.1 | 169.9 | 171.2 | 178 | 0 | 116.5 | ||||
| 443 | S | 27 | Very low | 29.7 | Very low | 116 Ų | 116 | 147.9 Ų | 147.9 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | trans | 24.4 | 112 | 136.7 | 64.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 444 | S | 31.8 | Very low | 29.5 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | -146.5 | 120.4 | 141.1 | 50.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 445 | A | 27.4 | Very low | 29.8 | Very low | 98 Ų | 98 | 143.7 Ų | 143.7 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | 78.8 | 127.5 | 52.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 446 | A | 27.4 | Very low | 29.3 | Very low | 105 Ų | 105 | 140.2 Ų | 140.2 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | trans | 66.2 | 102.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 447 | G | 24 | Very low | 29.4 | Very low | 80 Ų | 80 | 140.7 Ų | 140.7 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | 80.1 | 98.6 | 115.8 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 448 | S | 34.3 | Very low | 29 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -125.9 | 95.6 | 144.6 | -173.6 | 0 | 0 | 0 | 0 | 110 | G450 | S448-G450 VanDerWaalsContact C-N 3.32Å; S448-G450 PolarHBondContact O-N 3.22Å | ||
| 449 | I | 27.6 | Very low | 28.6 | Very low | 183 Ų | 183 | 134.4 Ų | 134.4 | 94% | 0.938 | 82% | 0.818 | S | S | * | * | trans | -87.3 | 81.3 | 168.2 | -62 | 174.3 | 0 | 0 | 0 | 105.9 | ||||
| 450 | G | 26.1 | Very low | 28.5 | Very low | 56 Ų | 56 | 129.8 Ų | 129.8 | 58% | 0.577 | 82% | 0.817 | S | S | * | * | trans | -124.5 | 62.1 | -157.6 | 0 | 0 | 0 | 0 | 0 | 116 | S448 | S448-G450 VanDerWaalsContact C-N 3.32Å; S448-G450 PolarHBondContact O-N 3.22Å | ||
| 451 | Q | 26.9 | Very low | 28.4 | Very low | 187 Ų | 187 | 124.3 Ų | 124.3 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | 54.5 | 130.5 | 160.6 | -62 | -170.1 | -11.1 | 0 | 0 | 120.7 | S453 | Q451-S453 PolarHBondContact O-N 3.3Š| ||
| 452 | K | 27.6 | Very low | 28.3 | Very low | 214 Ų | 214 | 121.4 Ų | 121.4 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | trans | -70.2 | 108.3 | 166.9 | -61.4 | 173.2 | -179.3 | 177.5 | 0 | 110.1 | G454 | K452-G454 PolarHBondContact O-N 3.1Š| ||
| 453 | S | 32.3 | Very low | 28.1 | Very low | 115 Ų | 115 | 118.1 Ų | 118.1 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -79.4 | 98.7 | 164.6 | -72 | 0 | 0 | 0 | 0 | 109.8 | Q451 S455 | Q451-S453 PolarHBondContact O-N 3.3Å; S453-S455 PolarHBondContact O-N 3.42Å | ||
| 454 | G | 26.8 | Very low | 28.3 | Very low | 77 Ų | 77 | 117 Ų | 117 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | -78.3 | 79.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K452 G456 | K452-G454 PolarHBondContact O-N 3.1Å; G454-G456 PolarHBondContact O-N 3.24Å | ||
| 455 | S | 34.1 | Very low | 28.1 | Very low | 118 Ų | 118 | 117.6 Ų | 117.6 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -71.9 | 80.2 | 166.9 | 57.6 | 0 | 0 | 0 | 0 | 110.2 | S453 L457 | S453-S455 PolarHBondContact O-N 3.42Å; S455-L457 PolarHBondContact O-N 2.93Å | ||
| 456 | G | 25 | Very low | 28.3 | Very low | 71 Ų | 71 | 122 Ų | 122 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | -73.1 | 107.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G454 | G454-G456 PolarHBondContact O-N 3.24Š| ||
| 457 | L | 31.3 | Very low | 28.4 | Very low | 172 Ų | 172 | 122.4 Ų | 122.4 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | trans | -113.7 | 87.8 | 151.1 | -74.8 | -179.9 | 0 | 0 | 0 | 108.8 | S455 S459 | S455-L457 PolarHBondContact O-N 2.93Å; L457-S459 PolarHBondContact O-N 3.46Å | ||
| 458 | S | 24.1 | Very low | 28.7 | Very low | 125 Ų | 125 | 126 Ų | 126 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -73.3 | 100.8 | 168.9 | 176.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 459 | S | 30.9 | Very low | 28.4 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -82.9 | 125.9 | 153.7 | 50.4 | 0 | 0 | 0 | 0 | 108.8 | L457 | L457-S459 PolarHBondContact O-N 3.46Š| ||
| 460 | C | 27.5 | Very low | 28.6 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | trans | -60.9 | 144.4 | 152.2 | 52 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 461 | G | 24.9 | Very low | 28.9 | Very low | 70 Ų | 70 | 132.6 Ų | 132.6 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | cis | 103.6 | 60.5 | 29.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 462 | V | 29.3 | Very low | 29.2 | Very low | 134 Ų | 134 | 127 Ų | 127 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -120.1 | 87.8 | 174 | -178.1 | 0 | 0 | 0 | 0 | 107.6 | A464 | V462-A464 PolarHBondContact O-N 2.88Š| ||
| 463 | S | 23.3 | Very low | 29.5 | Very low | 114 Ų | 114 | 124.8 Ų | 124.8 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -77.9 | 96.6 | 173.7 | -57.6 | 0 | 0 | 0 | 0 | 109.8 | T465 | S463-T465 PolarHBondContact O-N 3.31Š| ||
| 464 | A | 31.3 | Very low | 29.3 | Very low | 92 Ų | 92 | 126.7 Ų | 126.7 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | -88.4 | 94.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | V462 H466 | V462-A464 PolarHBondContact O-N 2.88Å; A464-H466 PolarHBondContact O-N 3.44Å | ||
| 465 | T | 29 | Very low | 29.9 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | trans | -79.9 | 87.3 | -173.4 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | S463 | S463-T465 PolarHBondContact O-N 3.31Š| ||
| 466 | H | 31.2 | Very low | 30.8 | Very low | 190 Ų | 190 | 128.8 Ų | 128.8 | 88% | 0.88 | 77% | 0.77 | S | S | * | * | trans | -131.4 | 133.5 | 150.6 | -106 | 28.2 | 0 | 0 | 0 | 109.3 | A464 | A464-H466 PolarHBondContact O-N 3.44Š| ||
| 467 | S | 29.8 | Very low | 31.9 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -77.5 | 134.1 | -165.8 | 41.3 | 0 | 0 | 0 | 0 | 112.5 | E469 | S467-E469 PolarHBondContact O-N 3.46Š| ||
| 468 | H | 30.4 | Very low | 31.9 | Very low | 157 Ų | 157 | 126.8 Ų | 126.8 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | -55.1 | 134 | 149.5 | -97.8 | -137.6 | 0 | 0 | 0 | 108.3 | E470 | H468-E470 HydrophobicContact CB-CB 4.34Å; H468-E470 IonicContact CE1-OE2 3.8Å; H468-E470 PolarHBondContact CE1-OE2 3.41Å; H468-E470 IonicContact ND1-OE2 2.68Å; H468-E470 PolarHBondContact ND1-OE2 2.98Å | ||
| 469 | E | 27.8 | Very low | 32.7 | Very low | 189 Ų | 189 | 131.2 Ų | 131.2 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | -115.4 | 64.6 | 157.5 | -162.8 | 162.9 | -124.4 | 0 | 0 | 106.8 | S467 | S467-E469 PolarHBondContact O-N 3.46Š| ||
| 470 | E | 31.6 | Very low | 33 | Very low | 145 Ų | 145 | 132 Ų | 132 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | -83.3 | 116.4 | 177.6 | -178 | 173.1 | 175.1 | 0 | 0 | 108 | H468 A472 | H468-E470 HydrophobicContact CB-CB 4.34Å; H468-E470 IonicContact CE1-OE2 3.8Å; H468-E470 PolarHBondContact CE1-OE2 3.41Å; H468-E470 IonicContact ND1-OE2 2.68Å; H468-E470 PolarHBondContact ND1-OE2 2.98Å; E470-A472 PolarHBondContact O-N 3.04Å | ||
| 471 | I | 31.6 | Very low | 33.8 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 81% | 0.805 | 76% | 0.757 | S | S | * | * | trans | -77.9 | 73.4 | -175.8 | -52.2 | 176.3 | 0 | 0 | 0 | 109.2 | I473 | I471-I473 PolarHBondContact O-N 2.87Š| ||
| 472 | A | 32.7 | Very low | 34.6 | Very low | 70 Ų | 70 | 141.6 Ų | 141.6 | 58% | 0.579 | 76% | 0.762 | S | S | * | * | trans | -69.2 | 121.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | E470 E474 | E470-A472 PolarHBondContact O-N 3.04Å; A472-E474 VanDerWaalsContact C-N 3.33Å; A472-E474 PolarHBondContact O-N 3.41Å | ||
| 473 | I | 35.2 | Very low | 35.1 | Very low | 167 Ų | 167 | 144.3 Ų | 144.3 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | trans | -77.3 | 90.7 | 169.9 | -57.7 | 177 | 0 | 0 | 0 | 106.6 | I471 D475 | I471-I473 PolarHBondContact O-N 2.87Å; I473-D475 PolarHBondContact O-N 3.16Å | ||
| 474 | E | 27.6 | Very low | 35.6 | Very low | 156 Ų | 156 | 146.3 Ų | 146.3 | 73% | 0.729 | 76% | 0.762 | S | S | * | * | trans | -72.8 | 114.4 | 175.8 | -67.9 | -164.4 | 127.2 | 0 | 0 | 110.5 | A472 | A472-E474 VanDerWaalsContact C-N 3.33Å; A472-E474 PolarHBondContact O-N 3.41Å | ||
| 475 | D | 38.7 | Very low | 35.9 | Very low | 114 Ų | 114 | 148.1 Ų | 148.1 | 61% | 0.61 | 76% | 0.764 | S | S | * | * | trans | -68.9 | 151.6 | 160.6 | -171.6 | 16.9 | 0 | 0 | 0 | 109.9 | I473 N477 G478 | I473-D475 PolarHBondContact O-N 3.16Å; D475-N477 PolarHBondContact O-N 3.12Å; D475-G478 PolarHBondContact O-N 3.49Å | ||
| 476 | T | 53.8 | Low | 36.1 | Very low | 125 Ų | 125 | 148.5 Ų | 148.5 | 77% | 0.767 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | 2.9 | -158.8 | 53.7 | 0 | 0 | 0 | 0 | 117.6 | ||
| 477 | N | 47.5 | Very low | 36.1 | Very low | 148 Ų | 148 | 146 Ų | 146 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.3 | 19.9 | 175.2 | -71.7 | -91 | 0 | 0 | 0 | 114 | D475 R479 | D475-N477 PolarHBondContact O-N 3.12Å; N477-R479 PolarHBondContact O-N 3.2Å |
| 478 | G | 32.5 | Very low | 36.5 | Very low | 53 Ų | 53 | 145.1 Ų | 145.1 | 55% | 0.546 | 75% | 0.75 | S | S | . | * | S | Bend | trans | 63.2 | 39.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | D475 | D475-G478 PolarHBondContact O-N 3.49Š|
| 479 | R | 40.6 | Very low | 37 | Very low | 218 Ų | 218 | 147.3 Ų | 147.3 | 82% | 0.823 | 76% | 0.758 | S | S | * | * | trans | -137.2 | 130.3 | 178.8 | -162.1 | 178.1 | -165.4 | -171.9 | 5.1 | 109.6 | N477 E481 | N477-R479 PolarHBondContact O-N 3.2Å; R479-E481 PolarHBondContact O-N 3.44Å | ||
| 480 | P | 36.7 | Very low | 37 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 128.1 | -176.2 | 23.8 | -34 | 0 | 0 | 0 | 111.1 | R482 | P480-R482 PolarHBondContact O-N 3.25Š|
| 481 | E | 45.2 | Very low | 37.1 | Very low | 165 Ų | 165 | 144.4 Ų | 144.4 | 77% | 0.771 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 132.2 | -179.1 | -166 | -172.7 | 162.3 | 0 | 0 | 110.5 | R479 | R479-E481 PolarHBondContact O-N 3.44Š|
| 482 | R | 41.3 | Very low | 37.1 | Very low | 219 Ų | 219 | 146.6 Ų | 146.6 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 118.6 | 169.3 | -82.5 | -175.8 | 163.3 | -160.9 | -5.6 | 108.3 | P480 H484 | P480-R482 PolarHBondContact O-N 3.25Å; R482-H484 PolarHBondContact O-CD2 2.83Å; R482-H484 PolarHBondContact O-N 3.43Å |
| 483 | Q | 38.8 | Very low | 37 | Very low | 190 Ų | 190 | 152.1 Ų | 152.1 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | trans | -47.5 | 108.8 | 169.7 | -68.7 | 175.7 | -21.4 | 0 | 0 | 110.5 | T485 | Q483-T485 PolarHBondContact O-N 3.01Š| ||
| 484 | H | 35 | Very low | 36.8 | Very low | 157 Ų | 157 | 150.2 Ų | 150.2 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -76.3 | 112 | 179.7 | -85.7 | -97.5 | 0 | 0 | 0 | 109.7 | R482 I486 | R482-H484 PolarHBondContact O-CD2 2.83Å; R482-H484 PolarHBondContact O-N 3.43Å; H484-I486 PolarHBondContact O-N 3.02Å | ||
| 485 | T | 38.2 | Very low | 37 | Very low | 130 Ų | 130 | 151.2 Ų | 151.2 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | trans | -68.3 | 98.4 | 170.7 | -49.8 | 0 | 0 | 0 | 0 | 109.2 | Q483 I487 | Q483-T485 PolarHBondContact O-N 3.01Å; T485-I487 PolarHBondContact O-N 2.96Å; T485-I487 VanDerWaalsContact O-N 3.1Å | ||
| 486 | I | 33.1 | Very low | 36.5 | Very low | 132 Ų | 132 | 150.9 Ų | 150.9 | 68% | 0.677 | 78% | 0.784 | S | S | * | * | trans | -68 | 108.5 | 178.1 | -58.2 | 175.2 | 0 | 0 | 0 | 108.7 | H484 | H484-I486 PolarHBondContact O-N 3.02Š| ||
| 487 | I | 30.9 | Very low | 35.2 | Very low | 139 Ų | 139 | 150 Ų | 150 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | -79 | 128.5 | 170.9 | -55.7 | 177 | 0 | 0 | 0 | 107.2 | T485 K489 | T485-I487 PolarHBondContact O-N 2.96Å; T485-I487 VanDerWaalsContact O-N 3.1Å; I487-K489 PolarHBondContact O-N 3.21Å | ||
| 488 | A | 38.1 | Very low | 34.4 | Very low | 93 Ų | 93 | 149 Ų | 149 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 49.8 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 489 | K | 39.5 | Very low | 34.3 | Very low | 204 Ų | 204 | 151.6 Ų | 151.6 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.5 | 6.3 | 172.9 | -72 | -164.3 | 172.9 | -172.8 | 0 | 114.8 | I487 | I487-K489 PolarHBondContact O-N 3.21Š|
| 490 | E | 29.1 | Very low | 33.8 | Very low | 176 Ų | 176 | 148.4 Ų | 148.4 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -118.5 | 1.9 | -177.3 | -157.5 | 157.8 | -149.4 | 0 | 0 | 114.6 | F492 | E490-F492 PolarHBondContact O-N 3.06Š| ||
| 491 | C | 33.7 | Very low | 33.4 | Very low | 97 Ų | 97 | 149 Ų | 149 | 66% | 0.655 | 80% | 0.797 | S | S | * | * | trans | -73.4 | 23.8 | -178 | -59.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 492 | F | 30.7 | Very low | 32.6 | Very low | 202 Ų | 202 | 150 Ų | 150 | 89% | 0.886 | 80% | 0.801 | S | S | * | * | trans | -119.3 | 45.3 | -177.2 | -90 | -70.2 | 0 | 0 | 0 | 114.1 | E490 | E490-F492 PolarHBondContact O-N 3.06Š| ||
| 493 | K | 30.3 | Very low | 32 | Very low | 187 Ų | 187 | 144.5 Ų | 144.5 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -139.6 | 113.4 | 151.7 | -70.3 | -167.9 | 179.1 | 178.3 | 0 | 109.9 | L495 | K493-L495 PolarHBondContact O-N 2.91Š|
| 494 | P | 31 | Very low | 31.4 | Very low | 126 Ų | 126 | 144.7 Ų | 144.7 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 129.9 | 171.5 | 27.9 | -32.9 | 0 | 0 | 0 | 109.3 | S496 | P494-S496 PolarHBondContact O-N 3.24Š|
| 495 | L | 31.9 | Very low | 31.2 | Very low | 177 Ų | 177 | 143.1 Ų | 143.1 | 93% | 0.927 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 116.1 | 176.9 | -78.7 | 168.4 | 0 | 0 | 0 | 109.8 | K493 S497 | K493-L495 PolarHBondContact O-N 2.91Å; L495-S497 PolarHBondContact O-N 3.43Å |
| 496 | S | 28.4 | Very low | 30.6 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 123.6 | -179.9 | -51.4 | 0 | 0 | 0 | 0 | 112 | P494 | P494-S496 PolarHBondContact O-N 3.24Š|
| 497 | S | 26 | Very low | 30.4 | Very low | 105 Ų | 105 | 145.3 Ų | 145.3 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | 40.3 | 86.7 | 149.4 | 61.2 | 0 | 0 | 0 | 0 | 117.2 | L495 | L495-S497 PolarHBondContact O-N 3.43Š| ||
| 498 | S | 30.7 | Very low | 30.2 | Very low | 127 Ų | 127 | 145.6 Ų | 145.6 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -88.3 | 142.1 | 144.1 | -169.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 499 | V | 31.1 | Very low | 29.9 | Very low | 109 Ų | 109 | 145 Ų | 145 | 66% | 0.661 | 80% | 0.795 | S | S | * | * | trans | -100.3 | 154.3 | -168.8 | 168.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 500 | D | 29.3 | Very low | 29.4 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | trans | 56 | 84.7 | 168.5 | -65 | -15.3 | 0 | 0 | 0 | 118.4 | ||||
| 501 | C | 29.7 | Very low | 29.4 | Very low | 134 Ų | 134 | 139.9 Ų | 139.9 | 91% | 0.905 | 79% | 0.787 | S | S | * | * | trans | -150.9 | 39.3 | 154.2 | -122.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 502 | E | 28.4 | Very low | 29.2 | Very low | 186 Ų | 186 | 143.4 Ų | 143.4 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -85.7 | 124.7 | 171.7 | -168.5 | 174.5 | -128.9 | 0 | 0 | 111 | ||||
| 503 | P | 27.5 | Very low | 29.1 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | trans | -76.6 | 126.5 | -178.8 | 30 | -33.5 | 0 | 0 | 0 | 111.4 | V505 | P503-V505 PolarHBondContact O-N 3.29Š| ||
| 504 | K | 26 | Very low | 29.1 | Very low | 195 Ų | 195 | 135.9 Ų | 135.9 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | -62.5 | 95 | 177 | -72.3 | -175.5 | 176.3 | -178.9 | 0 | 112.4 | N506 | K504-N506 PolarHBondContact O-N 2.94Š| ||
| 505 | V | 31.1 | Very low | 28.8 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -78.3 | 103.2 | 160.9 | -178.2 | 0 | 0 | 0 | 0 | 107.5 | P503 M507 | P503-V505 PolarHBondContact O-N 3.29Å; V505-M507 PolarHBondContact O-N 2.82Å | ||
| 506 | N | 26.6 | Very low | 28.6 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | -67.8 | 93 | 176 | -75.1 | -9.1 | 0 | 0 | 0 | 110 | K504 I508 | K504-N506 PolarHBondContact O-N 2.94Å; N506-I508 PolarHBondContact O-N 3.36Å | ||
| 507 | M | 27.6 | Very low | 28.6 | Very low | 171 Ų | 171 | 138.1 Ų | 138.1 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | -67 | 104.3 | 164.1 | -69.8 | -156.3 | 75.3 | 0 | 0 | 109.1 | V505 A509 | V505-M507 PolarHBondContact O-N 2.82Å; M507-A509 PolarHBondContact O-N 3.07Å; M507-A509 VanDerWaalsContact O-N 3.14Å | ||
| 508 | I | 27.9 | Very low | 28.6 | Very low | 144 Ų | 144 | 139 Ų | 139 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | -69.7 | 103.7 | 161.9 | -61.5 | 172.5 | 0 | 0 | 0 | 105.5 | N506 D510 | N506-I508 PolarHBondContact O-N 3.36Å; I508-D510 PolarHBondContact O-N 3.12Å | ||
| 509 | A | 31.6 | Very low | 28.3 | Very low | 81 Ų | 81 | 141.1 Ų | 141.1 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | trans | -73.9 | 108.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | M507 V511 | M507-A509 PolarHBondContact O-N 3.07Å; M507-A509 VanDerWaalsContact O-N 3.14Å; A509-V511 WeakPolarHBondContact O-CG2 3.49Å; A509-V511 PolarHBondContact O-N 3.42Å; A509-V511 VanDerWaalsContact O-N 3.09Å | ||
| 510 | D | 28.2 | Very low | 28.1 | Very low | 143 Ų | 143 | 140.3 Ų | 140.3 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | -67.4 | 104.8 | 173.5 | -80.2 | -47.4 | 0 | 0 | 0 | 109.9 | I508 H512 | I508-D510 PolarHBondContact O-N 3.12Å; D510-H512 PolarHBondContact O-N 3.12Å | ||
| 511 | V | 30.7 | Very low | 28 | Very low | 130 Ų | 130 | 140 Ų | 140 | 79% | 0.788 | 79% | 0.787 | S | S | * | * | trans | -79.8 | 67.4 | -173.8 | -170.4 | 0 | 0 | 0 | 0 | 111.1 | A509 | A509-V511 WeakPolarHBondContact O-CG2 3.49Å; A509-V511 PolarHBondContact O-N 3.42Å; A509-V511 VanDerWaalsContact O-N 3.09Å | ||
| 512 | H | 29.1 | Very low | 27.8 | Very low | 171 Ų | 171 | 140.6 Ų | 140.6 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -144.2 | 83.7 | 175.7 | -74.3 | -51.9 | 0 | 0 | 0 | 113.6 | D510 | D510-H512 PolarHBondContact O-N 3.12Š| ||
| 513 | S | 27.8 | Very low | 27.8 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 173.2 | 162.4 | 131.1 | -81.6 | 0 | 0 | 0 | 0 | 114 | ||
| 514 | S | 30.4 | Very low | 27.8 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | 56.3 | 80.3 | 160 | 47 | 0 | 0 | 0 | 0 | 118 | N516 | S514-N516 PolarHBondContact O-N 3.41Š| ||
| 515 | T | 25.7 | Very low | 27.9 | Very low | 139 Ų | 139 | 134.1 Ų | 134.1 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | -72.5 | 105.9 | 142.8 | 48.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 516 | N | 27.1 | Very low | 27.7 | Very low | 149 Ų | 149 | 134.4 Ų | 134.4 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -164.8 | 105.8 | 144.5 | -110.6 | -5.5 | 0 | 0 | 0 | 108.6 | S514 | S514-N516 PolarHBondContact O-N 3.41Š| ||
| 517 | L | 29.1 | Very low | 27.8 | Very low | 171 Ų | 171 | 133.3 Ų | 133.3 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | trans | -111.5 | 81 | 176.4 | -137.6 | 168.5 | 0 | 0 | 0 | 107 | ||||
| 518 | D | 24.2 | Very low | 27.9 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 66% | 0.663 | 78% | 0.782 | S | S | * | * | trans | -69 | 140.1 | 168.9 | -105 | -55.8 | 0 | 0 | 0 | 109.9 | ||||
| 519 | Q | 25.4 | Very low | 27.9 | Very low | 170 Ų | 170 | 132.9 Ų | 132.9 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 57.2 | 118.6 | 156.7 | -58.3 | -176.1 | 18 | 0 | 0 | 120.7 | ||
| 520 | A | 26.6 | Very low | 28 | Very low | 92 Ų | 92 | 136.7 Ų | 136.7 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | 84.6 | 117.6 | 134 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 521 | D | 26.8 | Very low | 28.1 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | trans | 22.2 | 102.6 | 147.8 | -71.2 | -56.5 | 0 | 0 | 0 | 120.6 | V523 | D521-V523 HydrophobicContact CB-CG2 4.3Å; D521-V523 PolarHBondContact O-N 3.46Å; D521-V523 VanDerWaalsContact O-N 3.07Å | ||
| 522 | V | 26.6 | Very low | 28 | Very low | 146 Ų | 146 | 136 Ų | 136 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | trans | -73 | 91.1 | 155.2 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 523 | V | 28.1 | Very low | 28.2 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | trans | -126.5 | 68.8 | 165.7 | -169.2 | 0 | 0 | 0 | 0 | 110.5 | D521 | D521-V523 HydrophobicContact CB-CG2 4.3Å; D521-V523 PolarHBondContact O-N 3.46Å; D521-V523 VanDerWaalsContact O-N 3.07Å | ||
| 524 | T | 28 | Very low | 28.4 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -136.3 | 123.8 | 158.2 | -57.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 525 | S | 26.8 | Very low | 28.4 | Very low | 100 Ų | 100 | 141 Ų | 141 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | -74.2 | 158.8 | -179.3 | 39 | 0 | 0 | 0 | 0 | 111.8 | S527 | S525-S527 PolarHBondContact O-N 3.1Å; S525-S527 VanDerWaalsContact O-N 3.08Å | ||
| 526 | P | 27.7 | Very low | 28.8 | Very low | 131 Ų | 131 | 138 Ų | 138 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -69.1 | 109.4 | -169.5 | 26.3 | -35.4 | 0 | 0 | 0 | 112.9 | ||||
| 527 | S | 29.3 | Very low | 29.1 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 137.5 | 164.3 | 44.2 | 0 | 0 | 0 | 0 | 110.5 | S525 | S525-S527 PolarHBondContact O-N 3.1Å; S525-S527 VanDerWaalsContact O-N 3.08Å |
| 528 | K | 28.3 | Very low | 29 | Very low | 179 Ų | 179 | 134.7 Ų | 134.7 | 78% | 0.778 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 151.7 | -176.5 | -66.7 | 168.3 | -178.8 | 170.6 | 0 | 110.9 | L530 | K528-L530 PolarHBondContact O-N 3.05Š|
| 529 | P | 29.1 | Very low | 29.4 | Very low | 127 Ų | 127 | 138 Ų | 138 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 129.1 | 166.5 | 27.7 | -34.2 | 0 | 0 | 0 | 109.6 | ||
| 530 | L | 32.8 | Very low | 29.6 | Very low | 161 Ų | 161 | 138.3 Ų | 138.3 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | -128.3 | 135.1 | 175 | -80.7 | 171.2 | 0 | 0 | 0 | 109.2 | K528 S532 | K528-L530 PolarHBondContact O-N 3.05Å; L530-S532 PolarHBondContact O-N 2.6Å | ||
| 531 | N | 29.7 | Very low | 29.7 | Very low | 169 Ų | 169 | 139.2 Ų | 139.2 | 90% | 0.904 | 78% | 0.782 | S | S | * | * | trans | -73.1 | 120.3 | -179.2 | -67 | -15.7 | 0 | 0 | 0 | 110.6 | ||||
| 532 | S | 30.1 | Very low | 29.9 | Very low | 90 Ų | 90 | 138.2 Ų | 138.2 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | trans | -127.3 | 112.6 | 158.7 | 145.4 | 0 | 0 | 0 | 0 | 102.6 | L530 | L530-S532 PolarHBondContact O-N 2.6Š| ||
| 533 | T | 32.6 | Very low | 30.1 | Very low | 127 Ų | 127 | 141 Ų | 141 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | 40.6 | 91.4 | 62.7 | -54.4 | 0 | 0 | 0 | 0 | 108.9 | D535 | T533-D535 PolarHBondContact O-N 3Š| |||
| 534 | Y | 31.7 | Very low | 30 | Very low | 228 Ų | 228 | 142.1 Ų | 142.1 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | trans | -54.2 | 105.2 | 178.3 | -92.1 | -100.4 | 0 | 0 | 0 | 109.6 | A536 | Y534-A536 PolarHBondContact O-N 3.13Š| ||
| 535 | D | 30.8 | Very low | 30.1 | Very low | 152 Ų | 152 | 140.7 Ų | 140.7 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -80.4 | 81.6 | 171.9 | -154.1 | 18.2 | 0 | 0 | 0 | 106.3 | T533 | T533-D535 PolarHBondContact O-N 3Š| ||
| 536 | A | 34.9 | Very low | 30 | Very low | 76 Ų | 76 | 143.6 Ų | 143.6 | 63% | 0.628 | 78% | 0.781 | S | S | * | * | trans | -64 | 126.1 | 173 | 0 | 0 | 0 | 0 | 0 | 107.2 | Y534 D538 | Y534-A536 PolarHBondContact O-N 3.13Å; A536-D538 PolarHBondContact O-N 3.16Å; A536-D538 VanDerWaalsContact O-N 3.08Å | ||
| 537 | P | 32.9 | Very low | 30.3 | Very low | 102 Ų | 102 | 142 Ų | 142 | 66% | 0.662 | 77% | 0.772 | S | S | * | * | trans | -62.1 | 118.6 | -167.4 | 23.3 | -33.7 | 0 | 0 | 0 | 110.9 | F539 | P537-F539 WeakPolarHBondContact O-CD2 3.42Å; P537-F539 PolarHBondContact O-N 3.21Å | ||
| 538 | D | 27.2 | Very low | 30.2 | Very low | 148 Ų | 148 | 143.4 Ų | 143.4 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -52.1 | 110.3 | 167.5 | -105.8 | -13.4 | 0 | 0 | 0 | 108.5 | A536 K540 | A536-D538 PolarHBondContact O-N 3.16Å; A536-D538 VanDerWaalsContact O-N 3.08Å; D538-K540 PolarHBondContact O-N 3.46Å | ||
| 539 | F | 31.6 | Very low | 30.1 | Very low | 194 Ų | 194 | 139.6 Ų | 139.6 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | -72.7 | 64.8 | 170.2 | -83.9 | -91.7 | 0 | 0 | 0 | 110.1 | P537 C541 | P537-F539 WeakPolarHBondContact O-CD2 3.42Å; P537-F539 PolarHBondContact O-N 3.21Å; F539-C541 PolarHBondContact O-N 2.94Å | ||
| 540 | K | 31 | Very low | 29.9 | Very low | 175 Ų | 175 | 141.4 Ų | 141.4 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | trans | -58.4 | 130.2 | 155.1 | -81.4 | -173.6 | 174.4 | 179.5 | 0 | 107.7 | D538 V542 | D538-K540 PolarHBondContact O-N 3.46Å; K540-V542 PolarHBondContact O-N 3.05Å | ||
| 541 | C | 27.2 | Very low | 29.5 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 75% | 0.75 | 77% | 0.774 | S | S | * | * | trans | -57.8 | 109.2 | -172.8 | -54.4 | 0 | 0 | 0 | 0 | 111.4 | F539 Y543 | F539-C541 PolarHBondContact O-N 2.94Å; C541-Y543 PolarHBondContact O-N 3.33Å | ||
| 542 | V | 32.3 | Very low | 29.4 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 76% | 0.758 | 76% | 0.76 | S | S | * | * | trans | -78.4 | 68.8 | 162.2 | -172.9 | 0 | 0 | 0 | 0 | 108.1 | K540 | K540-V542 PolarHBondContact O-N 3.05Š| ||
| 543 | Y | 29.8 | Very low | 29.3 | Very low | 206 Ų | 206 | 140.9 Ų | 140.9 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | trans | -117.5 | 58.2 | 157.4 | -84.7 | -71.7 | 0 | 0 | 0 | 107.5 | C541 C545 | C541-Y543 PolarHBondContact O-N 3.33Å; Y543-C545 VanDerWaalsContact C-N 3.25Å; Y543-C545 PolarHBondContact O-N 3.46Å | ||
| 544 | D | 26.3 | Very low | 29.2 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | trans | -65.9 | 91 | 165.3 | -71.6 | -40.2 | 0 | 0 | 0 | 107.9 | ||||
| 545 | C | 30 | Very low | 29 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 66% | 0.655 | 77% | 0.769 | S | S | * | * | trans | -121.9 | 53.5 | 174.1 | -73.1 | 0 | 0 | 0 | 0 | 110.2 | Y543 S547 | Y543-C545 VanDerWaalsContact C-N 3.25Å; Y543-C545 PolarHBondContact O-N 3.46Å; C545-S547 PolarHBondContact O-N 2.86Å | ||
| 546 | D | 25.3 | Very low | 28.8 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | trans | -62.6 | 84.5 | 154.6 | -89.1 | -27.1 | 0 | 0 | 0 | 108.4 | ||||
| 547 | S | 33.2 | Very low | 28.4 | Very low | 96 Ų | 96 | 144.5 Ų | 144.5 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | trans | -138.9 | 79.4 | 176.5 | -72.4 | 0 | 0 | 0 | 0 | 108 | C545 S549 | C545-S547 PolarHBondContact O-N 2.86Å; S547-S549 PolarHBondContact O-N 2.69Å | ||
| 548 | T | 27.3 | Very low | 28.2 | Very low | 143 Ų | 143 | 150.5 Ų | 150.5 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -74.9 | 83.2 | -171.4 | 52.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 549 | S | 26.1 | Very low | 28.3 | Very low | 100 Ų | 100 | 148.7 Ų | 148.7 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | -157.3 | 131.9 | 168.1 | 53.5 | 0 | 0 | 0 | 0 | 113.1 | S547 | S547-S549 PolarHBondContact O-N 2.69Š| ||
| 550 | Q | 24.5 | Very low | 28.2 | Very low | 164 Ų | 164 | 146.2 Ų | 146.2 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | trans | 49.9 | 77 | 170.2 | -63.1 | -158 | -74.8 | 0 | 0 | 117.7 | D552 | Q550-D552 PolarHBondContact NE2-OD2 2.87Å; Q550-D552 PolarHBondContact O-N 3.36Å | ||
| 551 | A | 25.5 | Very low | 28.1 | Very low | 113 Ų | 113 | 144.6 Ų | 144.6 | 93% | 0.934 | 78% | 0.778 | S | S | * | * | trans | -87.4 | 57 | 146.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 552 | D | 26.2 | Very low | 28.1 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 60% | 0.604 | 77% | 0.769 | S | S | * | * | trans | -101.8 | 129.9 | 176.2 | -78.1 | -47.3 | 0 | 0 | 0 | 111.5 | Q550 L554 | Q550-D552 PolarHBondContact NE2-OD2 2.87Å; Q550-D552 PolarHBondContact O-N 3.36Å; D552-L554 PolarHBondContact O-N 3.13Å | ||
| 553 | E | 28 | Very low | 27.9 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | 35.4 | 66.4 | 157.3 | -54.2 | -157.1 | 127.5 | 0 | 0 | 120.3 | ||||
| 554 | L | 31.5 | Very low | 28 | Very low | 159 Ų | 159 | 140.8 Ų | 140.8 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | -110.8 | 35.9 | 150.4 | -72.5 | 179.3 | 0 | 0 | 0 | 112.9 | D552 | D552-L554 PolarHBondContact O-N 3.13Š| ||
| 555 | K | 26.4 | Very low | 28.1 | Very low | 184 Ų | 184 | 142.4 Ų | 142.4 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -99.4 | 131.4 | 164.1 | -69.7 | 178.5 | -178.9 | 172.4 | 0 | 108.6 | ||
| 556 | N | 27.9 | Very low | 28 | Very low | 159 Ų | 159 | 142 Ų | 142 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | 81.3 | 44.2 | 175.7 | -44.2 | -44.4 | 0 | 0 | 0 | 117.8 | ||||
| 557 | L | 26.9 | Very low | 28.2 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -100.6 | 98.7 | 149.3 | -72.1 | 177.1 | 0 | 0 | 0 | 109.6 | ||||
| 558 | R | 27.2 | Very low | 28 | Very low | 227 Ų | 227 | 141.8 Ų | 141.8 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | -69.6 | 140.2 | 159.2 | -105.6 | -176.1 | 173 | -171.2 | -3.5 | 107.6 | I560 | R558-I560 PolarHBondContact O-N 3.05Å; R558-I560 VanDerWaalsContact O-N 3.12Å | ||
| 559 | P | 29.5 | Very low | 28 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | trans | -63 | 116.9 | 169.3 | 26.7 | -32.6 | 0 | 0 | 0 | 109 | I561 | P559-I561 PolarHBondContact O-N 2.92Š| ||
| 560 | I | 30.3 | Very low | 28.1 | Very low | 142 Ų | 142 | 142 Ų | 142 | 73% | 0.728 | 77% | 0.767 | S | S | * | * | trans | -79.8 | 109.1 | 165.3 | -61.1 | 177.3 | 0 | 0 | 0 | 105.6 | R558 D562 | R558-I560 PolarHBondContact O-N 3.05Å; R558-I560 VanDerWaalsContact O-N 3.12Å; I560-D562 WeakPolarHBondContact CG2-OD1 3.38Å; I560-D562 PolarHBondContact O-N 3.35Å | ||
| 561 | I | 28.7 | Very low | 28.3 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 72% | 0.723 | 76% | 0.76 | S | S | * | * | trans | -92.2 | 86.3 | 173.7 | -55.8 | 174.4 | 0 | 0 | 0 | 106.4 | P559 S563 | P559-I561 PolarHBondContact O-N 2.92Å; I561-S563 PolarHBondContact O-N 2.71Å; I561-S563 VanDerWaalsContact O-N 3.09Å | ||
| 562 | D | 27.9 | Very low | 28.4 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 55% | 0.551 | 75% | 0.753 | S | S | * | * | trans | -65.6 | 110.7 | 174.4 | -75.8 | -36.5 | 0 | 0 | 0 | 109.2 | I560 I564 | I560-D562 WeakPolarHBondContact CG2-OD1 3.38Å; I560-D562 PolarHBondContact O-N 3.35Å; D562-I564 PolarHBondContact O-N 3.21Å; D562-I564 VanDerWaalsContact O-N 3.11Å | ||
| 563 | S | 28.1 | Very low | 28.4 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | -78.2 | 96.4 | -175.2 | -61.1 | 0 | 0 | 0 | 0 | 110.2 | I561 | I561-S563 PolarHBondContact O-N 2.71Å; I561-S563 VanDerWaalsContact O-N 3.09Å | ||
| 564 | I | 31.7 | Very low | 28.4 | Very low | 145 Ų | 145 | 139.4 Ų | 139.4 | 74% | 0.744 | 76% | 0.755 | S | S | * | * | trans | -122.5 | 95 | 169.4 | 10.6 | 175.3 | 0 | 0 | 0 | 109.6 | D562 S566 | D562-I564 PolarHBondContact O-N 3.21Å; D562-I564 VanDerWaalsContact O-N 3.11Å; I564-S566 PolarHBondContact O-N 3.14Å | ||
| 565 | D | 28.1 | Very low | 28.4 | Very low | 178 Ų | 178 | 138 Ų | 138 | 95% | 0.952 | 75% | 0.753 | S | S | * | * | trans | -66.2 | 84.2 | 165.4 | -75.2 | -54.1 | 0 | 0 | 0 | 109.3 | ||||
| 566 | S | 27.9 | Very low | 28.2 | Very low | 89 Ų | 89 | 134.8 Ų | 134.8 | 62% | 0.622 | 75% | 0.75 | S | S | * | * | trans | -142.8 | 130.2 | 177.2 | -173.1 | 0 | 0 | 0 | 0 | 110.6 | I564 V568 | I564-S566 PolarHBondContact O-N 3.14Å; S566-V568 PolarHBondContact O-N 3.11Å | ||
| 567 | T | 28.4 | Very low | 28 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 76% | 0.761 | 75% | 0.754 | S | S | * | * | trans | -53.2 | 117.6 | 179.9 | 37.3 | 0 | 0 | 0 | 0 | 112.2 | N569 | T567-N569 VanDerWaalsContact C-N 3.31Å; T567-N569 PolarHBondContact O-N 3.12Å | ||
| 568 | V | 29.5 | Very low | 27.8 | Very low | 128 Ų | 128 | 132 Ų | 132 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | trans | -70.5 | 88.4 | 171.2 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | S566 T570 | S566-V568 PolarHBondContact O-N 3.11Å; V568-T570 HydrophobicContact CG1-CG2 4.16Å; V568-T570 PolarHBondContact O-N 2.88Å; V568-T570 VanDerWaalsContact O-N 3.14Å | ||
| 569 | N | 27.1 | Very low | 27.8 | Very low | 133 Ų | 133 | 127.2 Ų | 127.2 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | trans | -64.9 | 106.8 | 160.7 | -96.9 | -20 | 0 | 0 | 0 | 108 | T567 I571 | T567-N569 VanDerWaalsContact C-N 3.31Å; T567-N569 PolarHBondContact O-N 3.12Å; N569-I571 HydrophobicContact CB-CG1 4.39Å; N569-I571 PolarHBondContact O-N 3.17Å | ||
| 570 | T | 28.5 | Very low | 27.6 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | -73.9 | 69.7 | 176.3 | 53.9 | 0 | 0 | 0 | 0 | 111.1 | V568 N572 | V568-T570 HydrophobicContact CG1-CG2 4.16Å; V568-T570 PolarHBondContact O-N 2.88Å; V568-T570 VanDerWaalsContact O-N 3.14Å; T570-N572 PolarHBondContact O-N 2.98Å | ||
| 571 | I | 29.1 | Very low | 27.2 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 61% | 0.61 | 75% | 0.752 | S | S | * | * | trans | -80.6 | 94.9 | 167 | -58.3 | 176.5 | 0 | 0 | 0 | 106.7 | N569 D573 | N569-I571 HydrophobicContact CB-CG1 4.39Å; N569-I571 PolarHBondContact O-N 3.17Å; I571-D573 HydrophobicContact CG2-CB 4.06Å; I571-D573 VanDerWaalsContact CG2-OD2 3.27Å; I571-D573 WeakPolarHBondContact CG2-OD2 3.12Å; I571-D573 PolarHBondContact O-N 3.17Å | ||
| 572 | N | 26.9 | Very low | 27.3 | Very low | 148 Ų | 148 | 127.8 Ų | 127.8 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | -75.7 | 52.8 | 176.4 | -80.3 | -0.2 | 0 | 0 | 0 | 111.9 | T570 C574 | T570-N572 PolarHBondContact O-N 2.98Å; N572-C574 PolarHBondContact O-N 3.22Å | ||
| 573 | D | 26.8 | Very low | 27.1 | Very low | 132 Ų | 132 | 126.9 Ų | 126.9 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -75.2 | 73.7 | 170 | -79.4 | -18.9 | 0 | 0 | 0 | 109.5 | I571 T575 | I571-D573 HydrophobicContact CG2-CB 4.06Å; I571-D573 VanDerWaalsContact CG2-OD2 3.27Å; I571-D573 WeakPolarHBondContact CG2-OD2 3.12Å; I571-D573 PolarHBondContact O-N 3.17Å; D573-T575 PolarHBondContact O-N 2.84Å | ||
| 574 | C | 28.4 | Very low | 26.8 | Very low | 120 Ų | 120 | 130.8 Ų | 130.8 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | -69.8 | 65.9 | 174.3 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | N572 T576 | N572-C574 PolarHBondContact O-N 3.22Å; C574-T576 PolarHBondContact O-N 3.27Å | ||
| 575 | T | 30.5 | Very low | 26.8 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -67.8 | 120.8 | 170.6 | -57.1 | 0 | 0 | 0 | 0 | 108.3 | D573 | D573-T575 PolarHBondContact O-N 2.84Š| ||
| 576 | T | 22.9 | Very low | 26.6 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | trans | -66.6 | 153.2 | -171.9 | 48.9 | 0 | 0 | 0 | 0 | 114 | C574 | C574-T576 PolarHBondContact O-N 3.27Š| ||
| 577 | Q | 22.9 | Very low | 26.2 | Very low | 202 Ų | 202 | 131.3 Ų | 131.3 | 94% | 0.944 | 77% | 0.768 | S | S | * | * | trans | 85.1 | 131.7 | 150 | -163.2 | -179.9 | 42.6 | 0 | 0 | 117.9 | ||||
| 578 | G | 23.1 | Very low | 26.3 | Very low | 54 Ų | 54 | 131.2 Ų | 131.2 | 56% | 0.557 | 77% | 0.77 | S | S | * | * | trans | 128.7 | 93.3 | 158.6 | 0 | 0 | 0 | 0 | 0 | 115 | N580 | G578-N580 PolarHBondContact O-N 2.88Å; G578-N580 VanDerWaalsContact O-N 3.12Å | ||
| 579 | S | 26.7 | Very low | 26.1 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | trans | -63.6 | 108.9 | 165.6 | -48.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 580 | N | 26.1 | Very low | 26 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | trans | -138.6 | 136.8 | 177.9 | -84.3 | -56.5 | 0 | 0 | 0 | 111.8 | G578 | G578-N580 PolarHBondContact O-N 2.88Å; G578-N580 VanDerWaalsContact O-N 3.12Å | ||
| 581 | S | 22.6 | Very low | 26.1 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -74 | 129.7 | 173.6 | 43 | 0 | 0 | 0 | 0 | 111.2 | ||
| 582 | V | 30 | Very low | 25.9 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 120.3 | 170.5 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | ||
| 583 | A | 24.7 | Very low | 26.1 | Very low | 85 Ų | 85 | 139.1 Ų | 139.1 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -86 | 138.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | I585 | A583-I585 PolarHBondContact O-N 3.09Š|
| 584 | H | 21.5 | Very low | 26.1 | Very low | 194 Ų | 194 | 142.1 Ų | 142.1 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 128.3 | 176.5 | -58.3 | -80.8 | 0 | 0 | 0 | 111.6 | ||
| 585 | I | 31.3 | Very low | 26.4 | Very low | 166 Ų | 166 | 142.1 Ų | 142.1 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -128.2 | 128.9 | 160.7 | -57.3 | -178.2 | 0 | 0 | 0 | 106.8 | A583 | A583-I585 PolarHBondContact O-N 3.09Š| ||
| 586 | S | 23.4 | Very low | 26.3 | Very low | 106 Ų | 106 | 145.6 Ų | 145.6 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 149.3 | -164.7 | 51 | 0 | 0 | 0 | 0 | 114.5 | ||
| 587 | H | 20.3 | Very low | 26.5 | Very low | 151 Ų | 151 | 148.9 Ų | 148.9 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 141.9 | 171.8 | -55.8 | -96.5 | 0 | 0 | 0 | 113.2 | ||
| 588 | P | 29.5 | Very low | 26.7 | Very low | 123 Ų | 123 | 146.9 Ų | 146.9 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 145.8 | 147.1 | 33.9 | -29.7 | 0 | 0 | 0 | 110.2 | ||
| 589 | N | 25.2 | Very low | 26.8 | Very low | 137 Ų | 137 | 153 Ų | 153 | 73% | 0.733 | 82% | 0.818 | S | S | * | * | trans | -88.4 | 176.5 | 176.5 | -65 | -48.8 | 0 | 0 | 0 | 112.3 | ||||
| 590 | D | 26 | Very low | 27 | Very low | 146 Ų | 146 | 155.8 Ų | 155.8 | 78% | 0.781 | 82% | 0.817 | S | S | * | * | trans | 65.4 | 105.2 | 151.9 | -55.3 | -44 | 0 | 0 | 0 | 118.6 | ||||
| 591 | E | 30.6 | Very low | 26.9 | Very low | 185 Ų | 185 | 157.5 Ų | 157.5 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | -152.5 | 148.3 | 98.5 | -121.9 | -173.8 | 177.5 | 0 | 0 | 113.3 | |||||
| 592 | M | 24.6 | Very low | 27.5 | Very low | 166 Ų | 166 | 157.7 Ų | 157.7 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -95.3 | 115.7 | -179 | -73.5 | 165.9 | 43.2 | 0 | 0 | 111.4 | ||||
| 593 | M | 31.9 | Very low | 27.6 | Very low | 175 Ų | 175 | 158.7 Ų | 158.7 | 86% | 0.862 | 82% | 0.819 | S | S | * | * | trans | -121.8 | 119.3 | 161.9 | -79.8 | -67.6 | 169.1 | 0 | 0 | 111 | ||||
| 594 | K | 25.8 | Very low | 27.7 | Very low | 195 Ų | 195 | 158.1 Ų | 158.1 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 158.1 | 176.6 | -96.6 | -170.4 | 174.7 | -173.6 | 0 | 111.5 | ||
| 595 | P | 35.4 | Very low | 28.2 | Very low | 119 Ų | 119 | 159.8 Ų | 159.8 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 163.1 | -152.1 | 32.2 | -38 | 0 | 0 | 0 | 114 | ||
| 596 | K | 28.9 | Very low | 28.2 | Very low | 203 Ų | 203 | 160.9 Ų | 160.9 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 123.5 | 154.9 | -77.1 | -166.5 | 172.3 | -171.9 | 0 | 109.8 | ||
| 597 | E | 25.6 | Very low | 28.3 | Very low | 187 Ų | 187 | 163.8 Ų | 163.8 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 137.6 | 152.1 | -69.9 | 169.1 | 116.3 | 0 | 0 | 108.9 | ||
| 598 | N | 27.9 | Very low | 28.8 | Very low | 159 Ų | 159 | 163.5 Ų | 163.5 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | trans | -151.2 | 116.4 | 147.6 | -108.3 | -9.9 | 0 | 0 | 0 | 106.2 | ||||
| 599 | E | 25.7 | Very low | 28.6 | Very low | 183 Ų | 183 | 162.5 Ų | 162.5 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | trans | -60.2 | 144 | 168.1 | -59 | 167.9 | 117.6 | 0 | 0 | 109.2 | ||||
| 600 | H | 29.3 | Very low | 28.7 | Very low | 186 Ų | 186 | 167.3 Ų | 167.3 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | trans | -169.7 | 120.4 | 135.1 | -102.6 | 74.8 | 0 | 0 | 0 | 107.1 | P602 | H600-P602 WeakPolarHBondContact O-CD 3.46Š| ||
| 601 | Q | 24.2 | Very low | 28.7 | Very low | 183 Ų | 183 | 166.8 Ų | 166.8 | 86% | 0.855 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 129 | 167.3 | -74.4 | -179.4 | -67.7 | 0 | 0 | 108.9 | ||
| 602 | P | 35.4 | Very low | 28.6 | Very low | 123 Ų | 123 | 164 Ų | 164 | 80% | 0.799 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -82 | 117.3 | 157.9 | 11.8 | 5.2 | 0 | 0 | 0 | 108.2 | H600 | H600-P602 WeakPolarHBondContact O-CD 3.46Š|
| 603 | D | 32.2 | Very low | 28.7 | Very low | 160 Ų | 160 | 162.3 Ų | 162.3 | 86% | 0.856 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 152.9 | 168.6 | -88.3 | -51.5 | 0 | 0 | 0 | 111.2 | ||
| 604 | A | 28.3 | Very low | 28.5 | Very low | 74 Ų | 74 | 161.4 Ų | 161.4 | 61% | 0.612 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -72 | 157.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 605 | Y | 31.2 | Very low | 28.6 | Very low | 229 Ų | 229 | 159.2 Ų | 159.2 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | trans | 75.7 | 83.6 | 170.5 | -49.2 | -77.4 | 0 | 0 | 0 | 117.8 | ||||
| 606 | E | 30.8 | Very low | 28 | Very low | 189 Ų | 189 | 161.3 Ų | 161.3 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | -145 | 128.1 | 114.5 | -138 | 176.7 | -158.3 | 0 | 0 | 112.2 | |||||
| 607 | L | 26.5 | Very low | 28.1 | Very low | 166 Ų | 166 | 158.5 Ų | 158.5 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | -87.5 | 124.9 | 171.7 | -96.6 | 158.6 | 0 | 0 | 0 | 108.6 | ||||
| 608 | N | 30.1 | Very low | 28 | Very low | 145 Ų | 145 | 154.2 Ų | 154.2 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | trans | -156.3 | 127.7 | 150 | -106.6 | -50.9 | 0 | 0 | 0 | 113.5 | R610 | N608-R610 PolarHBondContact O-N 3.39Š| ||
| 609 | S | 24.8 | Very low | 27.8 | Very low | 103 Ų | 103 | 154.3 Ų | 154.3 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | trans | -73.1 | 111.4 | 179.6 | 51.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 610 | R | 28.3 | Very low | 28 | Very low | 238 Ų | 238 | 152.5 Ų | 152.5 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | trans | -98.8 | 91.7 | 160.7 | -77.9 | -167.9 | 173.2 | -156.9 | -0.5 | 110.4 | N608 T612 | N608-R610 PolarHBondContact O-N 3.39Å; R610-T612 PolarHBondContact O-N 2.96Å | ||
| 611 | V | 24.9 | Very low | 27.8 | Very low | 135 Ų | 135 | 148 Ų | 148 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -85.1 | 94.8 | 165.7 | 179.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 612 | T | 29.4 | Very low | 27.7 | Very low | 125 Ų | 125 | 147.1 Ų | 147.1 | 77% | 0.767 | 80% | 0.804 | S | S | * | * | trans | -150.2 | 101.5 | 166.3 | 6.5 | 0 | 0 | 0 | 0 | 112.7 | R610 | R610-T612 PolarHBondContact O-N 2.96Š| ||
| 613 | V | 26.7 | Very low | 28.3 | Very low | 132 Ų | 132 | 146.6 Ų | 146.6 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | trans | -4.5 | 126.1 | 151.4 | -173 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 614 | L | 27.6 | Very low | 28.2 | Very low | 155 Ų | 155 | 147 Ų | 147 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -155 | 95.9 | 145.5 | -159.3 | 71.9 | 0 | 0 | 0 | 106.1 | ||||
| 615 | E | 27.6 | Very low | 27.8 | Very low | 149 Ų | 149 | 151.6 Ų | 151.6 | 70% | 0.696 | 81% | 0.806 | S | S | * | * | 62.7 | 109.7 | 83.8 | -167.4 | 168.3 | -147.7 | 0 | 0 | 113.1 | N617 | E615-N617 PolarHBondContact O-N 3.08Š| |||
| 616 | N | 22.3 | Very low | 27.4 | Very low | 163 Ų | 163 | 147.3 Ų | 147.3 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -66.5 | 125 | 179.6 | -64.8 | -26 | 0 | 0 | 0 | 111 | ||||
| 617 | N | 30.4 | Very low | 27.2 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | trans | -145.1 | 144.5 | 160.6 | -89.2 | -66.8 | 0 | 0 | 0 | 111.5 | E615 | E615-N617 PolarHBondContact O-N 3.08Š| ||
| 618 | S | 23.6 | Very low | 27.1 | Very low | 96 Ų | 96 | 145.7 Ų | 145.7 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | trans | -75.5 | 166.6 | -169 | -43.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 619 | D | 24.5 | Very low | 26.9 | Very low | 162 Ų | 162 | 146.3 Ų | 146.3 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | 37.6 | 101.4 | 148.5 | -56.7 | -37.1 | 0 | 0 | 0 | 118.1 | ||||
| 620 | T | 29.1 | Very low | 27.2 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | -117.4 | 107.1 | 162.5 | -53.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 621 | A | 26.2 | Very low | 27 | Very low | 91 Ų | 91 | 145.1 Ų | 145.1 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -85.4 | 155.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 622 | L | 22.8 | Very low | 26.9 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | -32.2 | 168.1 | 162.4 | -54.9 | 167.3 | 0 | 0 | 0 | 116.2 | ||||
| 623 | P | 47.2 | Very low | 27 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | cis | -141.3 | -176.1 | -48.5 | 41.4 | -25.2 | 0 | 0 | 0 | 111.9 | ||||
| 624 | M | 29 | Very low | 27 | Very low | 170 Ų | 170 | 145.3 Ų | 145.3 | 84% | 0.837 | 80% | 0.795 | S | S | * | * | trans | 157 | 134.5 | 146.2 | -87.7 | 179.9 | 70.5 | 0 | 0 | 108.2 | ||||
| 625 | K | 20.6 | Very low | 26.8 | Very low | 169 Ų | 169 | 145 Ų | 145 | 74% | 0.735 | 80% | 0.795 | S | S | * | * | 84.4 | 128.4 | 51.5 | -102.5 | -156.4 | 169.5 | -147.6 | 0 | 115.2 | |||||
| 626 | H | 22.4 | Very low | 26.8 | Very low | 139 Ų | 139 | 145.5 Ų | 145.5 | 64% | 0.644 | 80% | 0.802 | S | S | * | * | trans | 95.1 | 141.6 | 160.6 | -92.2 | -83 | 0 | 0 | 0 | 121.4 | ||||
| 627 | D | 27.4 | Very low | 26.8 | Very low | 132 Ų | 132 | 144.2 Ų | 144.2 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | 61.5 | 120.3 | 160.1 | -48.3 | -25.6 | 0 | 0 | 0 | 116.8 | ||||
| 628 | E | 23.4 | Very low | 26.7 | Very low | 190 Ų | 190 | 142.4 Ų | 142.4 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | 49.3 | 98.3 | 53.1 | -71.8 | -132.9 | 125.8 | 0 | 0 | 114.1 | |||||
| 629 | D | 26.9 | Very low | 26.6 | Very low | 157 Ų | 157 | 147 Ų | 147 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | -170.9 | 170.3 | 112 | -140.5 | -27.9 | 0 | 0 | 0 | 113.7 | |||||
| 630 | T | 30.3 | Very low | 26.8 | Very low | 126 Ų | 126 | 144.9 Ų | 144.9 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | 76.9 | 115.7 | 159.3 | -6.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 631 | K | 24.4 | Very low | 26.5 | Very low | 191 Ų | 191 | 146.6 Ų | 146.6 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | trans | -74.3 | 166.3 | 159.1 | -71.9 | 167.1 | 175.6 | 163 | 0 | 112 | ||||
| 632 | S | 24.1 | Very low | 27.5 | Very low | 124 Ų | 124 | 147.6 Ų | 147.6 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | 95 | 119.1 | 148.9 | 81.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 633 | G | 29.9 | Very low | 27.4 | Very low | 80 Ų | 80 | 143.1 Ų | 143.1 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -150.7 | 109.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 634 | K | 27.6 | Very low | 26.6 | Very low | 191 Ų | 191 | 143.7 Ų | 143.7 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | trans | -93.4 | 150.3 | -177 | -78.9 | -179 | 176.6 | 176.2 | 0 | 111.3 | ||||
| 635 | N | 22.5 | Very low | 26.2 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | 4 | 120.7 | 151.2 | -48.6 | 6.1 | 0 | 0 | 0 | 116.6 | ||||
| 636 | N | 28.4 | Very low | 26.5 | Very low | 158 Ų | 158 | 146 Ų | 146 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | -116.8 | 112.8 | 149.1 | -90.9 | -28.4 | 0 | 0 | 0 | 108.8 | ||||
| 637 | V | 21.5 | Very low | 26.7 | Very low | 136 Ų | 136 | 144.6 Ų | 144.6 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | trans | -108.2 | 120.2 | 160.9 | 170.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 638 | S | 28 | Very low | 26.6 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | trans | -130.6 | 123.2 | 173.8 | -64.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 639 | Q | 21.6 | Very low | 26.7 | Very low | 192 Ų | 192 | 142.8 Ų | 142.8 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | trans | -87.1 | 146.4 | 170.5 | -65.6 | 175.2 | -40.6 | 0 | 0 | 109.6 | ||||
| 640 | S | 30.4 | Very low | 26.3 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -148.4 | 107.5 | 164.5 | 58.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 641 | E | 22.6 | Very low | 25.9 | Very low | 182 Ų | 182 | 145.3 Ų | 145.3 | 85% | 0.85 | 83% | 0.825 | S | S | * | * | trans | -62.4 | 177.2 | 158.1 | -84.7 | -166 | 115.8 | 0 | 0 | 112.2 | ||||
| 642 | P | 45.4 | Very low | 25.9 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 72% | 0.721 | 82% | 0.818 | S | S | * | * | cis | -140.3 | -179.7 | -40.3 | 38.7 | -22.9 | 0 | 0 | 0 | 112.9 | ||||
| 643 | G | 22.3 | Very low | 25.7 | Very low | 70 Ų | 70 | 143 Ų | 143 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | trans | 75.3 | 111.2 | 133.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 644 | S | 29.6 | Very low | 25.8 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | trans | -166.6 | 87.8 | 141.7 | 14.9 | 0 | 0 | 0 | 0 | 111.2 | Q646 | S644-Q646 PolarHBondContact O-N 3.34Š| ||
| 645 | E | 21.1 | Very low | 25.8 | Very low | 200 Ų | 200 | 140.1 Ų | 140.1 | 94% | 0.935 | 82% | 0.816 | S | S | * | * | trans | -77.8 | 105.7 | 162.3 | -70.9 | -169.4 | 135.6 | 0 | 0 | 109.2 | ||||
| 646 | Q | 26.5 | Very low | 26.2 | Very low | 188 Ų | 188 | 138.3 Ų | 138.3 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | trans | -146 | 119.6 | 160.9 | -116.4 | 169.5 | 36.6 | 0 | 0 | 112.5 | S644 | S644-Q646 PolarHBondContact O-N 3.34Š| ||
| 647 | S | 26.4 | Very low | 26.1 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -22.8 | 131.9 | 175.1 | 50.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 648 | I | 25 | Very low | 26.5 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | -17.9 | 117.4 | 162.3 | -56.2 | 167.9 | 0 | 0 | 0 | 114.7 | ||||
| 649 | P | 25.2 | Very low | 26.5 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -79 | 120.8 | 166.8 | 31.2 | -31.6 | 0 | 0 | 0 | 110.7 | ||||
| 650 | H | 19.6 | Very low | 26.7 | Very low | 176 Ų | 176 | 138.4 Ų | 138.4 | 82% | 0.815 | 80% | 0.804 | S | S | * | * | trans | -122.4 | 75.6 | 175.6 | -172.2 | -59.6 | 0 | 0 | 0 | 110.4 | ||||
| 651 | L | 22.5 | Very low | 26.6 | Very low | 161 Ų | 161 | 141 Ų | 141 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -160.6 | 124.7 | 179.5 | -120.6 | 166.1 | 0 | 0 | 0 | 114 | ||||
| 652 | S | 23.2 | Very low | 26.7 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 69% | 0.685 | 81% | 0.81 | S | S | * | * | trans | 134.7 | 115 | 133 | -58.2 | 0 | 0 | 0 | 0 | 114.2 | S654 | S652-S654 PolarHBondContact O-N 3.13Š| ||
| 653 | D | 21 | Very low | 25.9 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 90% | 0.904 | 81% | 0.809 | S | S | * | * | trans | -62.9 | 119.9 | 166.6 | -58.8 | -88.5 | 0 | 0 | 0 | 111.2 | ||||
| 654 | S | 31.6 | Very low | 26.2 | Very low | 123 Ų | 123 | 143 Ų | 143 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -94.1 | 100.4 | 162.4 | -69.6 | 0 | 0 | 0 | 0 | 109.1 | S652 | S652-S654 PolarHBondContact O-N 3.13Š| ||
| 655 | A | 26.7 | Very low | 26 | Very low | 86 Ų | 86 | 145.9 Ų | 145.9 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | -68.8 | 169 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 656 | S | 31.2 | Very low | 26.2 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | 67.7 | 70.3 | 170.2 | 65.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 657 | N | 27.7 | Very low | 26.3 | Very low | 161 Ų | 161 | 137 Ų | 137 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | -133 | 109.3 | 118.8 | -164 | -11.2 | 0 | 0 | 0 | 110 | |||||
| 658 | V | 29.2 | Very low | 26.2 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 70% | 0.703 | 79% | 0.794 | S | S | * | * | trans | -140.3 | 87.3 | -172.1 | -169.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 659 | K | 27.6 | Very low | 26.3 | Very low | 175 Ų | 175 | 140.8 Ų | 140.8 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | 175.6 | 150.3 | 123.8 | -97.7 | 157.5 | -170.6 | 178.2 | 0 | 114.2 | |||||
| 660 | N | 25.9 | Very low | 26.4 | Very low | 144 Ų | 144 | 142.6 Ų | 142.6 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 63.6 | 82 | 154.8 | -57.7 | -3 | 0 | 0 | 0 | 118.4 | ||
| 661 | L | 29.2 | Very low | 26.7 | Very low | 172 Ų | 172 | 139.1 Ų | 139.1 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | -161.9 | 48.7 | 110.7 | -106.7 | 163.3 | 0 | 0 | 0 | 112.8 | S663 | L661-S663 PolarHBondContact O-N 3.46Š| |||
| 662 | Q | 23 | Very low | 26.9 | Very low | 192 Ų | 192 | 140.2 Ų | 140.2 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | trans | -88 | 87.9 | 173.1 | -167.1 | 173.5 | 24.9 | 0 | 0 | 110.4 | ||||
| 663 | S | 29.2 | Very low | 27.2 | Very low | 98 Ų | 98 | 141.8 Ų | 141.8 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | trans | -92.7 | 144.5 | 154.3 | 67.3 | 0 | 0 | 0 | 0 | 108.8 | L661 Q665 | L661-S663 PolarHBondContact O-N 3.46Å; S663-Q665 PolarHBondContact O-N 2.84Å | ||
| 664 | P | 28.2 | Very low | 27.7 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | trans | -84.3 | 128 | -156.4 | -12.3 | 30 | 0 | 0 | 0 | 112.7 | A666 | P664-A666 PolarHBondContact O-N 3.15Š| ||
| 665 | Q | 25.6 | Very low | 27.4 | Very low | 184 Ų | 184 | 139 Ų | 139 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | -63.5 | 91.2 | 150.2 | -80.2 | -171 | -15.5 | 0 | 0 | 108.2 | S663 T667 | S663-Q665 PolarHBondContact O-N 2.84Å; Q665-T667 PolarHBondContact O-N 3.13Å | ||
| 666 | A | 26.2 | Very low | 27.5 | Very low | 82 Ų | 82 | 141.6 Ų | 141.6 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | trans | -76.2 | 65.4 | 176 | 0 | 0 | 0 | 0 | 0 | 110.3 | P664 R668 | P664-A666 PolarHBondContact O-N 3.15Å; A666-R668 PolarHBondContact O-N 2.94Å | ||
| 667 | T | 27.4 | Very low | 27.3 | Very low | 120 Ų | 120 | 143 Ų | 143 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | -65.7 | 76.3 | 169.3 | -53.2 | 0 | 0 | 0 | 0 | 108.6 | Q665 T669 | Q665-T667 PolarHBondContact O-N 3.13Å; T667-T669 PolarHBondContact O-N 2.77Å | ||
| 668 | R | 25.1 | Very low | 27.3 | Very low | 226 Ų | 226 | 144.6 Ų | 144.6 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | -64.3 | 104.5 | 176.2 | -85.5 | -174.3 | 165.6 | -175.5 | -2.7 | 108.2 | A666 I670 | A666-R668 PolarHBondContact O-N 2.94Å; R668-I670 PolarHBondContact O-N 3.21Å | ||
| 669 | T | 26.7 | Very low | 27.3 | Very low | 117 Ų | 117 | 145.5 Ų | 145.5 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | trans | -47.3 | 136.4 | 158.6 | 35 | 0 | 0 | 0 | 0 | 109.4 | T667 T671 | T667-T669 PolarHBondContact O-N 2.77Å; T669-T671 PolarHBondContact O-N 2.88Å | ||
| 670 | I | 28.1 | Very low | 27.3 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | trans | -74.8 | 80.9 | -179.4 | -56.6 | 176.3 | 0 | 0 | 0 | 108.2 | R668 K672 | R668-I670 PolarHBondContact O-N 3.21Å; I670-K672 PolarHBondContact O-N 3.11Å; I670-K672 VanDerWaalsContact O-N 3.13Å | ||
| 671 | T | 25.4 | Very low | 27.6 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 64% | 0.638 | 77% | 0.771 | S | S | * | * | trans | -63.2 | 113.1 | 173.4 | -50.7 | 0 | 0 | 0 | 0 | 108.4 | T669 V674 | T669-T671 PolarHBondContact O-N 2.88Å; T671-V674 HydrophobicContact CG2-CG2 4.25Å | ||
| 672 | K | 26.5 | Very low | 27.5 | Very low | 183 Ų | 183 | 141.2 Ų | 141.2 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | -50.2 | 142.1 | 172.8 | -67.9 | -179.6 | 179.2 | 178.7 | 0 | 109.6 | I670 V674 | I670-K672 PolarHBondContact O-N 3.11Å; I670-K672 VanDerWaalsContact O-N 3.13Å; K672-V674 PolarHBondContact O-N 2.84Å | ||
| 673 | P | 30.7 | Very low | 27.8 | Very low | 132 Ų | 132 | 142.9 Ų | 142.9 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | trans | -59.9 | 105.8 | -165 | 22.3 | -34.1 | 0 | 0 | 0 | 112.3 | N675 | P673-N675 PolarHBondContact O-N 3.48Š| ||
| 674 | V | 29.8 | Very low | 27.8 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 62% | 0.618 | 77% | 0.769 | S | S | * | * | trans | -72.2 | 121.9 | 172.3 | 176.3 | 0 | 0 | 0 | 0 | 108.2 | T671 K672 N676 | T671-V674 HydrophobicContact CG2-CG2 4.25Å; K672-V674 PolarHBondContact O-N 2.84Å; V674-N676 VanDerWaalsContact C-N 3.28Å; V674-N676 PolarHBondContact O-N 2.94Å | ||
| 675 | N | 26.6 | Very low | 28.1 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | trans | -70 | 77.9 | -178.1 | -176 | 2.9 | 0 | 0 | 0 | 111.9 | P673 N677 | P673-N675 PolarHBondContact O-N 3.48Å; N675-N677 PolarHBondContact O-N 2.92Å; N675-N677 VanDerWaalsContact O-N 3.15Å; N675-N677 PolarHBondContact OD1-ND2 2.85Å | ||
| 676 | N | 29.1 | Very low | 28.2 | Very low | 141 Ų | 141 | 140.7 Ų | 140.7 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | -84.2 | 81 | 173.8 | -81.7 | -16.8 | 0 | 0 | 0 | 110.8 | V674 K678 | V674-N676 VanDerWaalsContact C-N 3.28Å; V674-N676 PolarHBondContact O-N 2.94Å; N676-K678 PolarHBondContact O-N 2.94Å | ||
| 677 | N | 26.4 | Very low | 28.5 | Very low | 143 Ų | 143 | 144.7 Ų | 144.7 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | trans | -56.7 | 96.5 | 164.9 | -78.8 | -55.6 | 0 | 0 | 0 | 110.8 | N675 | N675-N677 PolarHBondContact O-N 2.92Å; N675-N677 VanDerWaalsContact O-N 3.15Å; N675-N677 PolarHBondContact OD1-ND2 2.85Å | ||
| 678 | K | 27.7 | Very low | 28.5 | Very low | 194 Ų | 194 | 148.4 Ų | 148.4 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | -139.8 | 106.5 | 163.7 | -140.2 | 172 | -171.9 | 177.4 | 0 | 110.7 | N676 I680 | N676-K678 PolarHBondContact O-N 2.94Å; K678-I680 PolarHBondContact O-N 3.23Å; K678-I680 VanDerWaalsContact O-N 3.09Å | ||
| 679 | T | 29.2 | Very low | 28.9 | Very low | 136 Ų | 136 | 145 Ų | 145 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -61.9 | 106.2 | -171.3 | -46.2 | 0 | 0 | 0 | 0 | 112.2 | P681 | T679-P681 WeakPolarHBondContact O-CD 3.27Š| ||
| 680 | I | 27.6 | Very low | 29.2 | Very low | 157 Ų | 157 | 145.2 Ų | 145.2 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | trans | -93.1 | 108.4 | 159 | -59.8 | 179 | 0 | 0 | 0 | 106.3 | K678 N682 | K678-I680 PolarHBondContact O-N 3.23Å; K678-I680 VanDerWaalsContact O-N 3.09Å; I680-N682 PolarHBondContact O-N 3.2Å | ||
| 681 | P | 31.6 | Very low | 29.3 | Very low | 101 Ų | 101 | 142.8 Ų | 142.8 | 66% | 0.656 | 77% | 0.773 | S | S | * | * | trans | -70.6 | 104.9 | -179.2 | 28 | -33.1 | 0 | 0 | 0 | 109.5 | T679 R683 | T679-P681 WeakPolarHBondContact O-CD 3.27Å; P681-R683 PolarHBondContact O-N 3.12Å | ||
| 682 | N | 26.7 | Very low | 29.5 | Very low | 142 Ų | 142 | 146.9 Ų | 146.9 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | -59.8 | 101.6 | 170.3 | -177.8 | -4.8 | 0 | 0 | 0 | 108.8 | I680 Q684 | I680-N682 PolarHBondContact O-N 3.2Å; N682-Q684 VanDerWaalsContact C-N 3.29Å; N682-Q684 PolarHBondContact O-N 2.8Å | ||
| 683 | R | 29.7 | Very low | 29.8 | Very low | 228 Ų | 228 | 145 Ų | 145 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -69.1 | 92.4 | 170.8 | -82.9 | -168.4 | 173 | -164.1 | 0.1 | 108.1 | P681 S685 | P681-R683 PolarHBondContact O-N 3.12Å; R683-S685 PolarHBondContact O-N 2.9Å | ||
| 684 | Q | 29.6 | Very low | 29.6 | Very low | 178 Ų | 178 | 143.9 Ų | 143.9 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -57.2 | 91.9 | 153.5 | -71.3 | -178.6 | -21.3 | 0 | 0 | 107.9 | N682 G686 | N682-Q684 VanDerWaalsContact C-N 3.29Å; N682-Q684 PolarHBondContact O-N 2.8Å; Q684-G686 PolarHBondContact O-N 2.8Å | ||
| 685 | S | 34.1 | Very low | 29.7 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -70.9 | 71.3 | 165.3 | 54.4 | 0 | 0 | 0 | 0 | 107.9 | R683 L687 | R683-S685 PolarHBondContact O-N 2.9Å; S685-L687 VanDerWaalsContact C-N 3.31Å; S685-L687 PolarHBondContact O-N 2.89Å | ||
| 686 | G | 28.8 | Very low | 29.8 | Very low | 62 Ų | 62 | 145.5 Ų | 145.5 | 64% | 0.639 | 79% | 0.792 | S | S | * | * | trans | -63.1 | 93.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q684 K688 | Q684-G686 PolarHBondContact O-N 2.8Å; G686-K688 PolarHBondContact O-N 2.83Å | ||
| 687 | L | 32.5 | Very low | 29.9 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | -57.9 | 96.1 | 161 | -76.6 | 169.6 | 0 | 0 | 0 | 106.6 | S685 I689 | S685-L687 VanDerWaalsContact C-N 3.31Å; S685-L687 PolarHBondContact O-N 2.89Å; L687-I689 PolarHBondContact O-N 3.14Å | ||
| 688 | K | 27.2 | Very low | 30.3 | Very low | 198 Ų | 198 | 143.3 Ų | 143.3 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -58.6 | 109.5 | 176.3 | -80.2 | -176.8 | 174.4 | 179 | 0 | 107.7 | G686 P690 | G686-K688 PolarHBondContact O-N 2.83Å; K688-P690 VanDerWaalsContact O-N 3.16Å | ||
| 689 | I | 31.9 | Very low | 30.2 | Very low | 154 Ų | 154 | 142.2 Ų | 142.2 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -48.9 | 122.2 | 164.9 | -59 | 169.7 | 0 | 0 | 0 | 106.5 | L687 S691 | L687-I689 PolarHBondContact O-N 3.14Å; I689-S691 PolarHBondContact O-N 2.9Å; I689-S691 VanDerWaalsContact O-N 3.13Å | ||
| 690 | P | 34.7 | Very low | 30.3 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -59 | 121.6 | -172.6 | 20.4 | -31.5 | 0 | 0 | 0 | 110.2 | K688 K692 | K688-P690 VanDerWaalsContact O-N 3.16Å; P690-K692 PolarHBondContact O-N 3.25Å | ||
| 691 | S | 29.2 | Very low | 30.5 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -76.9 | 95.4 | -167.1 | 54.1 | 0 | 0 | 0 | 0 | 112.1 | I689 | I689-S691 PolarHBondContact O-N 2.9Å; I689-S691 VanDerWaalsContact O-N 3.13Å | ||
| 692 | K | 30.2 | Very low | 30.4 | Very low | 191 Ų | 191 | 139.7 Ų | 139.7 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | trans | 47.2 | 82.9 | 158.5 | -61.8 | -177.4 | 178.3 | -178.3 | 0 | 115.5 | P690 S694 | P690-K692 PolarHBondContact O-N 3.25Å; K692-S694 PolarHBondContact O-N 2.87Å | ||
| 693 | T | 32 | Very low | 30.6 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -66.3 | 99.1 | 151 | 28.5 | 0 | 0 | 0 | 0 | 109.2 | I695 | T693-I695 PolarHBondContact O-N 2.87Å; T693-I695 VanDerWaalsContact O-N 3.1Å | ||
| 694 | S | 27.9 | Very low | 30.5 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -74 | 97.4 | 178.6 | 56.3 | 0 | 0 | 0 | 0 | 111.3 | K692 | K692-S694 PolarHBondContact O-N 2.87Š| ||
| 695 | I | 31.5 | Very low | 30.6 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 126.6 | 163 | -58.4 | 178.3 | 0 | 0 | 0 | 107.4 | T693 V697 | T693-I695 PolarHBondContact O-N 2.87Å; T693-I695 VanDerWaalsContact O-N 3.1Å; I695-V697 PolarHBondContact O-N 2.75Å |
| 696 | P | 27.7 | Very low | 30.5 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 119.9 | -176.9 | -21.7 | 33.6 | 0 | 0 | 0 | 112.3 | ||
| 697 | V | 32.7 | Very low | 30.6 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 131.2 | 165 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | I695 N699 | I695-V697 PolarHBondContact O-N 2.75Å; V697-N699 PolarHBondContact O-N 3.33Å |
| 698 | P | 33 | Very low | 30.9 | Very low | 115 Ų | 115 | 143 Ų | 143 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 131.4 | -179.3 | 25.3 | -33.8 | 0 | 0 | 0 | 111.3 | G700 | P698-G700 PolarHBondContact O-N 3.02Š|
| 699 | N | 26.3 | Very low | 31.2 | Very low | 170 Ų | 170 | 138.9 Ų | 138.9 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -71.6 | 71.1 | 175.9 | -79.4 | -31.9 | 0 | 0 | 0 | 111.7 | V697 | V697-N699 PolarHBondContact O-N 3.33Š| ||
| 700 | G | 32.4 | Very low | 31.2 | Very low | 65 Ų | 65 | 139.9 Ų | 139.9 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | trans | -85.4 | 102.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | P698 I702 | P698-G700 PolarHBondContact O-N 3.02Å; G700-I702 PolarHBondContact O-N 3.39Å | ||
| 701 | S | 30.6 | Very low | 30.9 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -57.3 | 129.4 | 179.2 | -61.7 | 0 | 0 | 0 | 0 | 112.3 | S703 | S701-S703 VanDerWaalsContact C-N 3.29Å; S701-S703 PolarHBondContact O-N 2.9Å | ||
| 702 | I | 29.2 | Very low | 31.2 | Very low | 168 Ų | 168 | 146 Ų | 146 | 86% | 0.862 | 81% | 0.805 | S | S | * | * | trans | -72.7 | 81.5 | -179.4 | -49.3 | 172 | 0 | 0 | 0 | 110.1 | G700 R704 | G700-I702 PolarHBondContact O-N 3.39Å; I702-R704 PolarHBondContact O-N 3.09Å | ||
| 703 | S | 30.8 | Very low | 31.4 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -64.9 | 118.3 | 175.1 | -69.9 | 0 | 0 | 0 | 0 | 110.4 | S701 L705 | S701-S703 VanDerWaalsContact C-N 3.29Å; S701-S703 PolarHBondContact O-N 2.9Å; S703-L705 PolarHBondContact O-N 3.33Å | ||
| 704 | R | 28.1 | Very low | 31.4 | Very low | 242 Ų | 242 | 141 Ų | 141 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | trans | -66.2 | 115.3 | 179.3 | -63.7 | -179.5 | 178.1 | -161.3 | -0.8 | 110 | I702 | I702-R704 PolarHBondContact O-N 3.09Š| ||
| 705 | L | 32.3 | Very low | 31.6 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -62 | 130.9 | 168.3 | -65.5 | 174.6 | 0 | 0 | 0 | 109.5 | S703 | S703-L705 PolarHBondContact O-N 3.33Š|
| 706 | P | 31.5 | Very low | 31.6 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 153.7 | 177.3 | 30 | -34.5 | 0 | 0 | 0 | 111.4 | ||
| 707 | M | 30.3 | Very low | 31.6 | Very low | 163 Ų | 163 | 144.7 Ų | 144.7 | 80% | 0.803 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 134 | -178.6 | -65.9 | 179.7 | 68.7 | 0 | 0 | 112 | S709 | M707-S709 PolarHBondContact O-N 3.39Š|
| 708 | L | 39.3 | Very low | 31.5 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 120.3 | 169.8 | -163.9 | 76.9 | 0 | 0 | 0 | 109.5 | ||
| 709 | S | 34.7 | Very low | 31.2 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 120.9 | -179.9 | -11.2 | 0 | 0 | 0 | 0 | 110.1 | M707 | M707-S709 PolarHBondContact O-N 3.39Š|
| 710 | Q | 31.2 | Very low | 31.4 | Very low | 176 Ų | 176 | 145.8 Ų | 145.8 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 136.2 | 173.3 | -66.8 | -178.2 | -3.4 | 0 | 0 | 110.8 | ||
| 711 | K | 28.6 | Very low | 31.2 | Very low | 200 Ų | 200 | 150 Ų | 150 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | trans | -142 | 82.6 | 164.3 | -160.2 | 170.3 | -172.8 | 176.9 | 0 | 110.5 | ||||
| 712 | M | 34.2 | Very low | 31.3 | Very low | 165 Ų | 165 | 148.5 Ų | 148.5 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | -59.1 | 131 | 176.6 | -65.9 | -83.5 | -98.3 | 0 | 0 | 110.6 | S714 | M712-S714 PolarHBondContact O-N 3.45Š| ||
| 713 | P | 35.3 | Very low | 31.4 | Very low | 120 Ų | 120 | 146 Ų | 146 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | -68.6 | 124.5 | 170.8 | -19.3 | 32.8 | 0 | 0 | 0 | 111.4 | M715 | P713-M715 PolarHBondContact O-N 3.41Š| ||
| 714 | S | 32.6 | Very low | 31 | Very low | 110 Ų | 110 | 152.3 Ų | 152.3 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -78.7 | 99 | 175.4 | 47 | 0 | 0 | 0 | 0 | 111.4 | M712 S716 | M712-S714 PolarHBondContact O-N 3.45Å; S714-S716 PolarHBondContact O-N 3.15Å; S714-S716 VanDerWaalsContact O-N 3.13Å | ||
| 715 | M | 32 | Very low | 31.1 | Very low | 180 Ų | 180 | 150.7 Ų | 150.7 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | trans | -64.5 | 112.9 | 172.3 | -77.4 | 176.9 | 60.1 | 0 | 0 | 110.5 | P713 I717 | P713-M715 PolarHBondContact O-N 3.41Å; M715-I717 PolarHBondContact O-N 3.13Å | ||
| 716 | S | 31.2 | Very low | 30.7 | Very low | 112 Ų | 112 | 149.3 Ų | 149.3 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | -79.4 | 118.8 | 176.8 | -62.8 | 0 | 0 | 0 | 0 | 110.4 | S714 S718 | S714-S716 PolarHBondContact O-N 3.15Å; S714-S716 VanDerWaalsContact O-N 3.13Å; S716-S718 PolarHBondContact O-N 2.92Å | ||
| 717 | I | 26.8 | Very low | 30.4 | Very low | 160 Ų | 160 | 148.1 Ų | 148.1 | 82% | 0.821 | 81% | 0.806 | S | S | * | * | trans | -72.7 | 97.8 | 179.7 | -55.2 | 172.9 | 0 | 0 | 0 | 109.3 | M715 S719 | M715-I717 PolarHBondContact O-N 3.13Å; I717-S719 PolarHBondContact O-N 2.82Å; I717-S719 VanDerWaalsContact O-N 3.14Å | ||
| 718 | S | 31 | Very low | 30.1 | Very low | 104 Ų | 104 | 148.4 Ų | 148.4 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -84.2 | 82.8 | 176.2 | -165.9 | 0 | 0 | 0 | 0 | 110.8 | S716 R720 | S716-S718 PolarHBondContact O-N 2.92Å; S718-R720 VanDerWaalsContact C-N 3.29Å; S718-R720 PolarHBondContact O-N 2.81Å | ||
| 719 | S | 26.7 | Very low | 29.6 | Very low | 95 Ų | 95 | 146.7 Ų | 146.7 | 66% | 0.664 | 81% | 0.805 | S | S | * | * | trans | -72.5 | 71.8 | -179.1 | 46 | 0 | 0 | 0 | 0 | 113 | I717 L721 | I717-S719 PolarHBondContact O-N 2.82Å; I717-S719 VanDerWaalsContact O-N 3.14Å; S719-L721 PolarHBondContact O-N 3.44Å | ||
| 720 | R | 30.2 | Very low | 28.9 | Very low | 233 Ų | 233 | 144.3 Ų | 144.3 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -73.9 | 85.5 | 171.4 | -81.6 | -168.7 | 168.2 | -170.7 | -2.8 | 112 | S718 G722 | S718-R720 VanDerWaalsContact C-N 3.29Å; S718-R720 PolarHBondContact O-N 2.81Å; R720-G722 PolarHBondContact O-N 2.99Å | ||
| 721 | L | 28.9 | Very low | 28.7 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | -61.1 | 99.9 | 159.6 | -88.9 | 64.6 | 0 | 0 | 0 | 109.7 | S719 S723 | S719-L721 PolarHBondContact O-N 3.44Å; L721-S723 PolarHBondContact O-N 2.73Å | ||
| 722 | G | 32.9 | Very low | 28.5 | Very low | 77 Ų | 77 | 140.9 Ų | 140.9 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -74.4 | 112 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | R720 | R720-G722 PolarHBondContact O-N 2.99Š| ||
| 723 | S | 30.3 | Very low | 28.2 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -70.2 | 146.1 | -169.1 | -66.7 | 0 | 0 | 0 | 0 | 114.2 | L721 | L721-S723 PolarHBondContact O-N 2.73Š| ||
| 724 | R | 22.2 | Very low | 27.6 | Very low | 237 Ų | 237 | 140.1 Ų | 140.1 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | trans | -52.3 | 136.6 | 164.4 | -66.3 | 176.9 | 174.5 | -176.6 | -2.3 | 110.7 | ||||
| 725 | K | 31.2 | Very low | 27.3 | Very low | 208 Ų | 208 | 140.6 Ų | 140.6 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | trans | -135.1 | 121.2 | 146.8 | -79.4 | -163.5 | 174.2 | -173.9 | 0 | 110.4 | ||||
| 726 | T | 23.9 | Very low | 26.9 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -92.3 | -174.8 | 170.3 | 47.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 727 | S | 25.9 | Very low | 26.6 | Very low | 96 Ų | 96 | 141.1 Ų | 141.1 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | trans | 61.8 | 95.2 | 166 | 57.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 728 | I | 23.7 | Very low | 26.6 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 86% | 0.862 | 79% | 0.79 | S | S | * | * | 52.5 | 105.3 | 116.4 | -56.4 | 156.8 | 0 | 0 | 0 | 116.7 | |||||
| 729 | T | 29 | Very low | 26 | Very low | 138 Ų | 138 | 144 Ų | 144 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | trans | -136.3 | 133.9 | 143 | 45.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 730 | G | 20.2 | Very low | 26 | Very low | 62 Ų | 62 | 145.6 Ų | 145.6 | 64% | 0.639 | 80% | 0.798 | S | S | * | * | trans | -70 | -177.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 731 | P | 26.6 | Very low | 25.8 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | cis | -84.5 | 156.4 | 19.4 | -6.8 | 26.5 | 0 | 0 | 0 | 112.9 | ||||
| 732 | E | 24.8 | Very low | 25.6 | Very low | 184 Ų | 184 | 138.2 Ų | 138.2 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | 53.4 | 72.2 | 68.9 | -55 | -166.2 | 156 | 0 | 0 | 114.7 | |||||
| 733 | Q | 28 | Very low | 25.4 | Very low | 203 Ų | 203 | 143.2 Ų | 143.2 | 95% | 0.949 | 78% | 0.776 | S | S | * | * | trans | -120.7 | 68.1 | 139.9 | -73.3 | -161.5 | -13.7 | 0 | 0 | 109.2 | ||||
| 734 | G | 22.7 | Very low | 25.4 | Very low | 65 Ų | 65 | 143.9 Ų | 143.9 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | trans | -86.3 | 118.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 735 | S | 24.8 | Very low | 25.4 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | 36.7 | 100.6 | 146.8 | 60.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 736 | S | 24.8 | Very low | 25.4 | Very low | 88 Ų | 88 | 136 Ų | 136 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | trans | -162.5 | 134.1 | 138.3 | -136.5 | 0 | 0 | 0 | 0 | 105.9 | D738 | S736-D738 VanDerWaalsContact CB-OD2 3.23Å; S736-D738 WeakPolarHBondContact CB-OD2 3.43Å; S736-D738 PolarHBondContact OG-OD2 2.86Å | ||
| 737 | F | 23.6 | Very low | 25.7 | Very low | 215 Ų | 215 | 134.4 Ų | 134.4 | 94% | 0.943 | 76% | 0.755 | S | S | * | * | cis | 66.8 | 20.8 | 32.1 | -104.3 | -65 | 0 | 0 | 0 | 117.1 | ||||
| 738 | D | 26.4 | Very low | 25.8 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -103 | 76 | 172 | -85.2 | -68.3 | 0 | 0 | 0 | 114.7 | S736 | S736-D738 VanDerWaalsContact CB-OD2 3.23Å; S736-D738 WeakPolarHBondContact CB-OD2 3.43Å; S736-D738 PolarHBondContact OG-OD2 2.86Å | ||
| 739 | R | 20.3 | Very low | 26 | Very low | 193 Ų | 193 | 135.4 Ų | 135.4 | 73% | 0.728 | 76% | 0.757 | S | S | * | * | 31.8 | 85.1 | 123.8 | -164.1 | -171.9 | -153.9 | -162.7 | 5.3 | 118.4 | I741 | R739-I741 HydrophobicContact CG-CB 4.5Å; R739-I741 HydrophobicContact CG-CD1 4.24Å; R739-I741 HydrophobicContact CG-CG1 3.96Å; R739-I741 VanDerWaalsContact NE-CD1 3.3Å; R739-I741 PolarHBondContact O-N 2.86Å | |||
| 740 | P | 26.1 | Very low | 25.7 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | trans | -73.4 | 89.2 | 156.2 | 30.8 | -32.7 | 0 | 0 | 0 | 110.4 | ||||
| 741 | I | 25.6 | Very low | 26.1 | Very low | 102 Ų | 102 | 143.1 Ų | 143.1 | 52% | 0.523 | 76% | 0.762 | S | S | . | * | trans | -91.2 | 141.5 | 159.4 | -82.7 | -175.5 | 0 | 0 | 0 | 108.9 | R739 | R739-I741 HydrophobicContact CG-CB 4.5Å; R739-I741 HydrophobicContact CG-CD1 4.24Å; R739-I741 HydrophobicContact CG-CG1 3.96Å; R739-I741 VanDerWaalsContact NE-CD1 3.3Å; R739-I741 PolarHBondContact O-N 2.86Å | ||
| 742 | N | 23.9 | Very low | 25.8 | Very low | 131 Ų | 131 | 145 Ų | 145 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | 76.3 | 137.6 | -166.3 | -58 | -59.1 | 0 | 0 | 0 | 112.9 | ||||
| 743 | K | 29 | Very low | 26 | Very low | 182 Ų | 182 | 142.3 Ų | 142.3 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | cis | -150 | 146.4 | 14.2 | -128.4 | 155.5 | -171.8 | 176.5 | 0 | 112.4 | ||||
| 744 | T | 30 | Very low | 25.9 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | 64.1 | 119.5 | 154.7 | -23 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 745 | Q | 23.7 | Very low | 26.2 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | trans | -49 | 163 | 154.2 | -108.3 | 177.1 | 2.8 | 0 | 0 | 113.3 | P747 | Q745-P747 HydrophobicContact CG-CB 4.15Å; Q745-P747 HydrophobicContact CG-CG 4.17Å | ||
| 746 | P | 30.4 | Very low | 26.4 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | -113.4 | 155.1 | 64.3 | 36.3 | -34.7 | 0 | 0 | 0 | 115.3 | |||||
| 747 | P | 30.5 | Very low | 26.4 | Very low | 89 Ų | 89 | 144.6 Ų | 144.6 | 58% | 0.578 | 77% | 0.767 | S | S | * | * | trans | -107.4 | 157.7 | -176.1 | 39.6 | -32.6 | 0 | 0 | 0 | 114.5 | Q745 | Q745-P747 HydrophobicContact CG-CB 4.15Å; Q745-P747 HydrophobicContact CG-CG 4.17Å | ||
| 748 | S | 28.1 | Very low | 26.5 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -163.9 | 147.7 | 141.9 | 43.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 749 | H | 28.4 | Very low | 26.4 | Very low | 174 Ų | 174 | 139.6 Ų | 139.6 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | trans | -21.6 | 131.3 | 172.6 | -51.2 | -83 | 0 | 0 | 0 | 116.6 | ||||
| 750 | R | 22.7 | Very low | 26.7 | Very low | 218 Ų | 218 | 138 Ų | 138 | 82% | 0.823 | 76% | 0.758 | S | S | * | * | 65.5 | 85.2 | 54.6 | -164.2 | -155.2 | -167.3 | -170.9 | 6.2 | 113.4 | |||||
| 751 | N | 27.3 | Very low | 26.6 | Very low | 143 Ų | 143 | 137.1 Ų | 137.1 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | 174.1 | 147.5 | 129.6 | -88.5 | -12.4 | 0 | 0 | 0 | 111.7 | |||||
| 752 | N | 21.5 | Very low | 26.5 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | -70.4 | 155.3 | 158.2 | -74.6 | -17.3 | 0 | 0 | 0 | 109.4 | ||||
| 753 | P | 27.3 | Very low | 26.7 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | -128.6 | 150.9 | 119.4 | 36.1 | -31.3 | 0 | 0 | 0 | 113.2 | |||||
| 754 | S | 27.1 | Very low | 26.5 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -81.5 | 155.1 | 166 | -169.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 755 | S | 27.9 | Very low | 26.6 | Very low | 98 Ų | 98 | 134.7 Ų | 134.7 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | 19.1 | 117.4 | 149 | 59.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 756 | N | 29.3 | Very low | 26.6 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | -158.4 | 160.3 | 134.6 | -120.5 | -25.5 | 0 | 0 | 0 | 113.8 | ||||
| 757 | N | 24.6 | Very low | 26.6 | Very low | 156 Ų | 156 | 133.6 Ų | 133.6 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | trans | -79.8 | 142.5 | 175.8 | -61.2 | -49.4 | 0 | 0 | 0 | 111.4 | ||||
| 758 | S | 26.3 | Very low | 26.3 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -161 | 120.8 | 135.9 | -170.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 759 | I | 23.8 | Very low | 26.4 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | trans | -14.5 | 153.3 | 144.8 | -24.4 | 179 | 0 | 0 | 0 | 118.3 | ||||
| 760 | H | 26.5 | Very low | 26.2 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | 99.4 | 115.1 | 153.3 | -66.8 | -69.3 | 0 | 0 | 0 | 120.5 | ||||
| 761 | S | 25 | Very low | 26.9 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | 64.3 | 148.8 | 138.1 | 57.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 762 | S | 24.4 | Very low | 26.8 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | cis | -171.8 | -164.9 | -12.5 | 50.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 763 | V | 27.8 | Very low | 27 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | 79.4 | 110.5 | 165.4 | -169 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 764 | S | 24.3 | Very low | 27.2 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | -66.8 | 145.7 | 160.4 | 51.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 765 | N | 31.8 | Very low | 27 | Very low | 164 Ų | 164 | 136.7 Ų | 136.7 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -123.5 | 127.7 | 159.1 | -100.3 | -24.7 | 0 | 0 | 0 | 110.7 | ||||
| 766 | V | 23.2 | Very low | 27.2 | Very low | 133 Ų | 133 | 138.7 Ų | 138.7 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | -102.4 | 134.8 | 171.5 | 175.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 767 | S | 30 | Very low | 27.1 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -149.1 | 149.1 | 159.9 | -162.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 768 | S | 26.1 | Very low | 27.2 | Very low | 104 Ų | 104 | 135 Ų | 135 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -140.9 | 146 | -170.9 | 55.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 769 | S | 28.5 | Very low | 27.5 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -171.5 | 146.4 | 156 | 32.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 770 | N | 25.9 | Very low | 27.6 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -88.1 | 145.8 | 168.4 | -69.1 | -72.6 | 0 | 0 | 0 | 109.4 | ||||
| 771 | I | 35.8 | Very low | 27.8 | Very low | 174 Ų | 174 | 136.1 Ų | 136.1 | 89% | 0.892 | 79% | 0.794 | S | S | * | * | trans | -111.4 | 141.2 | 155.6 | -64.3 | -178.4 | 0 | 0 | 0 | 107.9 | ||||
| 772 | K | 25.1 | Very low | 28 | Very low | 178 Ų | 178 | 136 Ų | 136 | 77% | 0.774 | 79% | 0.792 | S | S | * | * | trans | -118.8 | 166.5 | -164.6 | -144.6 | 179.8 | -175.3 | 179 | 0 | 110.1 | ||||
| 773 | T | 26.6 | Very low | 27.9 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | trans | 56.7 | 118.2 | 158.6 | 42.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 774 | N | 31.2 | Very low | 27.8 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 92% | 0.92 | 80% | 0.795 | S | S | * | * | -142.4 | 147.5 | 109.1 | -104.3 | -29.1 | 0 | 0 | 0 | 110.5 | |||||
| 775 | Q | 22.9 | Very low | 27.9 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -124.9 | 131.6 | 179.6 | -73.9 | -178.7 | -22.6 | 0 | 0 | 109.8 | ||||
| 776 | T | 31.8 | Very low | 27.7 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | -170.7 | 153.5 | 149.4 | 41.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 777 | S | 27.2 | Very low | 27.8 | Very low | 92 Ų | 92 | 138 Ų | 138 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | cis | -177.9 | 136.6 | -33.3 | -98 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 778 | N | 26.9 | Very low | 27.7 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | 58.5 | 109.3 | 157.6 | -52.7 | -19.1 | 0 | 0 | 0 | 119.9 | ||||
| 779 | S | 32.9 | Very low | 27.6 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | -142.2 | 159.9 | 116 | -165.5 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 780 | T | 26.4 | Very low | 27.5 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 66% | 0.656 | 79% | 0.788 | S | S | * | * | trans | -132.1 | 167.2 | -161.4 | 59.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 781 | K | 31.3 | Very low | 27.5 | Very low | 194 Ų | 194 | 137.5 Ų | 137.5 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | 74.3 | 141.9 | 175 | -52.8 | 174.9 | -176.4 | 178.3 | 0 | 114.9 | ||||
| 782 | S | 28.5 | Very low | 27 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | cis | -175 | 151.5 | -30.4 | 40.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 783 | L | 22.9 | Very low | 27.1 | Very low | 135 Ų | 135 | 135 Ų | 135 | 71% | 0.707 | 78% | 0.777 | S | S | * | * | trans | -67.7 | 165.1 | 173.9 | -61.8 | 83.9 | 0 | 0 | 0 | 110.7 | K785 | L783-K785 HydrophobicContact CD2-CD 4.45Å; L783-K785 HydrophobicContact CD2-CG 4Å | ||
| 784 | P | 25.6 | Very low | 27 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | -126.6 | 144.8 | 94.4 | 36.1 | -31.9 | 0 | 0 | 0 | 114 | |||||
| 785 | K | 25.1 | Very low | 26.9 | Very low | 179 Ų | 179 | 136 Ų | 136 | 78% | 0.778 | 77% | 0.773 | S | S | * | * | trans | -85.1 | 116.4 | 159.1 | -72.5 | 176.5 | 177.6 | 178.1 | 0 | 107.8 | L783 S787 | L783-K785 HydrophobicContact CD2-CD 4.45Å; L783-K785 HydrophobicContact CD2-CG 4Å; K785-S787 PolarHBondContact O-N 3.48Å | ||
| 786 | S | 28.3 | Very low | 27.1 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -91.6 | 89 | 171 | 55.9 | 0 | 0 | 0 | 0 | 110.5 | V788 | S786-V788 PolarHBondContact O-N 3.29Š| ||
| 787 | S | 25.2 | Very low | 26.8 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | -79.6 | 103.4 | 168.3 | 52 | 0 | 0 | 0 | 0 | 110 | K785 | K785-S787 PolarHBondContact O-N 3.48Š| ||
| 788 | V | 28.5 | Very low | 26.8 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -124.2 | 101.1 | 167.7 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | S786 L790 | S786-V788 PolarHBondContact O-N 3.29Å; V788-L790 HydrophobicContact CG1-CD1 4.37Å | ||
| 789 | S | 23.4 | Very low | 26.7 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -83.9 | 117.8 | 169.6 | 50.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 790 | L | 26.4 | Very low | 26.6 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | -137.9 | 120.5 | 170.4 | -99.8 | 171.1 | 0 | 0 | 0 | 112.1 | V788 | V788-L790 HydrophobicContact CG1-CD1 4.37Š| ||
| 791 | T | 26.1 | Very low | 26.6 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | trans | 41.7 | 104.8 | 151.7 | 49.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 792 | V | 25.1 | Very low | 26.3 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | -17 | 125.9 | 137.1 | 179.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 793 | Q | 27.8 | Very low | 26.5 | Very low | 169 Ų | 169 | 144.5 Ų | 144.5 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -131.7 | 120.8 | 143.3 | -82.9 | -165.6 | -20.7 | 0 | 0 | 110 | N795 | Q793-N795 PolarHBondContact O-N 3.35Š| ||
| 794 | Q | 23.7 | Very low | 26.6 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | trans | -74.9 | 100.9 | 163.5 | -70 | -178.3 | -12.7 | 0 | 0 | 108.7 | Q796 | Q794-Q796 VanDerWaalsContact C-N 3.32Å; Q794-Q796 HydrophobicContact CB-CG 4.24Å; Q794-Q796 PolarHBondContact O-N 3.34Å; Q794-Q796 VanDerWaalsContact O-N 3.1Å | ||
| 795 | N | 30.1 | Very low | 26.5 | Very low | 152 Ų | 152 | 144 Ų | 144 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -79.3 | 89.5 | 160.7 | -90.4 | -31.2 | 0 | 0 | 0 | 108.7 | Q793 | Q793-N795 PolarHBondContact O-N 3.35Š| ||
| 796 | Q | 26.7 | Very low | 26.6 | Very low | 152 Ų | 152 | 140.6 Ų | 140.6 | 71% | 0.71 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 154.7 | 173.4 | -65.3 | -165 | 27 | 0 | 0 | 111.6 | Q794 | Q794-Q796 VanDerWaalsContact C-N 3.32Å; Q794-Q796 HydrophobicContact CB-CG 4.24Å; Q794-Q796 PolarHBondContact O-N 3.34Å; Q794-Q796 VanDerWaalsContact O-N 3.1Å |
| 797 | R | 25.4 | Very low | 26.5 | Very low | 239 Ų | 239 | 141.1 Ų | 141.1 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 131.5 | -175.1 | -160.7 | -174.5 | -152.9 | 166.7 | 4.5 | 112.1 | ||
| 798 | P | 27.6 | Very low | 26.7 | Very low | 110 Ų | 110 | 139 Ų | 139 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 134.3 | 166.5 | 29.6 | -32.4 | 0 | 0 | 0 | 111.3 | ||
| 799 | V | 24.4 | Very low | 26.7 | Very low | 132 Ų | 132 | 139.5 Ų | 139.5 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | 42.5 | 132.3 | 123.2 | 179.8 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 800 | P | 29.5 | Very low | 26.8 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | cis | -123.3 | 158.8 | 30.1 | 15.4 | 8.8 | 0 | 0 | 0 | 117.2 | ||||
| 801 | S | 28 | Very low | 26.8 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | -78.4 | 141.5 | 170.7 | 50.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 802 | R | 23.9 | Very low | 27 | Very low | 230 Ų | 230 | 137.4 Ų | 137.4 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | 16.6 | 103.2 | 152.3 | -64.8 | 179.9 | 175.7 | 179.8 | -2.1 | 116.8 | ||||
| 803 | I | 32.7 | Very low | 26.9 | Very low | 176 Ų | 176 | 138 Ų | 138 | 90% | 0.903 | 79% | 0.792 | S | S | * | * | trans | -87.7 | 123 | 141.6 | -60.6 | 176.9 | 0 | 0 | 0 | 105.9 | ||||
| 804 | S | 24.9 | Very low | 27 | Very low | 85 Ų | 85 | 135.7 Ų | 135.7 | 59% | 0.594 | 80% | 0.795 | S | S | * | * | trans | -134.6 | 133.1 | -177.7 | 55.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 805 | L | 23.3 | Very low | 27.2 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | 72.4 | 152.5 | 177.7 | -52.9 | 162.2 | 0 | 0 | 0 | 113.5 | ||||
| 806 | S | 26.8 | Very low | 27.4 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | cis | -125.9 | 159.7 | 11.8 | 55.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 807 | S | 26.3 | Very low | 27.6 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -73 | 121.5 | 157.7 | 41.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 808 | G | 30 | Very low | 27.7 | Very low | 71 Ų | 71 | 137.7 Ų | 137.7 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | -160.2 | 137.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 809 | T | 27.6 | Very low | 28.2 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -85.8 | 146.6 | -172.9 | 46.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 810 | S | 26.9 | Very low | 28.6 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | 55.1 | 117.6 | 151.4 | 59.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 811 | G | 26.4 | Very low | 28.7 | Very low | 65 Ų | 65 | 140.5 Ų | 140.5 | 67% | 0.67 | 82% | 0.817 | S | S | * | * | trans | 160.2 | 119.4 | 153.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 812 | T | 30.2 | Very low | 29.1 | Very low | 153 Ų | 153 | 140.3 Ų | 140.3 | 94% | 0.939 | 81% | 0.813 | S | S | * | * | trans | 63.5 | 157.9 | 150 | 62 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 813 | T | 23.4 | Very low | 29.3 | Very low | 142 Ų | 142 | 135 Ų | 135 | 87% | 0.871 | 81% | 0.811 | S | S | * | * | trans | -107.7 | 148.3 | -168.5 | 45 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 814 | S | 29.8 | Very low | 29.8 | Very low | 121 Ų | 121 | 136 Ų | 136 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -157.1 | 155.1 | 149.4 | -164.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 815 | T | 27.9 | Very low | 30.1 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | -99.1 | 136.6 | -175 | 54.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 816 | I | 33.1 | Very low | 30.3 | Very low | 172 Ų | 172 | 133.3 Ų | 133.3 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | trans | -111 | 144.4 | 172.8 | -62.2 | -179.1 | 0 | 0 | 0 | 110 | ||||
| 817 | R | 32.1 | Very low | 30.9 | Very low | 237 Ų | 237 | 133.9 Ų | 133.9 | 89% | 0.894 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 161.2 | -165.7 | -67.1 | -178.4 | 174.1 | -169.3 | -1.6 | 113.7 | ||
| 818 | K | 27.3 | Very low | 31.1 | Very low | 197 Ų | 197 | 138.1 Ų | 138.1 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 145.4 | 176 | -59.1 | 178.1 | 179.4 | -178 | 0 | 112.1 | ||
| 819 | P | 37.6 | Very low | 31.7 | Very low | 130 Ų | 130 | 138.7 Ų | 138.7 | 84% | 0.844 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 163.3 | 168.4 | 32.1 | -35.1 | 0 | 0 | 0 | 112.2 | ||
| 820 | I | 32.3 | Very low | 31.9 | Very low | 161 Ų | 161 | 140.3 Ų | 140.3 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | -116.1 | 141.4 | -177.3 | -65.7 | 172.4 | 0 | 0 | 0 | 109.6 | ||||
| 821 | V | 31.5 | Very low | 32 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 130.5 | -178.5 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | ||
| 822 | P | 36.2 | Very low | 32.6 | Very low | 102 Ų | 102 | 142.2 Ų | 142.2 | 66% | 0.662 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -78 | 140.5 | 172.7 | 31.6 | -33.5 | 0 | 0 | 0 | 111.8 | ||
| 823 | S | 28.6 | Very low | 32.5 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 136.9 | 178.9 | -177.1 | 0 | 0 | 0 | 0 | 111.6 | ||
| 824 | F | 42.9 | Very low | 33.3 | Very low | 198 Ų | 198 | 143.3 Ų | 143.3 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | trans | -110.4 | 121.4 | 170.1 | -84 | -84.2 | 0 | 0 | 0 | 110.8 | ||||
| 825 | G | 32.9 | Very low | 33.7 | Very low | 74 Ų | 74 | 146.1 Ų | 146.1 | 76% | 0.763 | 84% | 0.836 | S | S | * | * | trans | -78.2 | 152.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 826 | S | 27.4 | Very low | 34 | Very low | 121 Ų | 121 | 147 Ų | 147 | 85% | 0.846 | 84% | 0.839 | S | S | * | * | trans | -68.7 | 138.6 | 173.3 | -174.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 827 | S | 39.3 | Very low | 34.1 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 83% | 0.832 | 84% | 0.836 | S | S | * | * | trans | -135.7 | 150.2 | 156.5 | 67.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 828 | R | 30.6 | Very low | 34.2 | Very low | 212 Ų | 212 | 140.6 Ų | 140.6 | 80% | 0.8 | 83% | 0.833 | S | S | * | * | trans | -134.4 | 86 | -157.1 | -176.4 | -174.3 | -177.2 | -175 | 4.1 | 111.3 | ||||
| 829 | G | 40.9 | Very low | 34.6 | Very low | 82 Ų | 82 | 137.3 Ų | 137.3 | 85% | 0.845 | 83% | 0.832 | S | S | * | * | trans | -72.4 | 142.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 830 | K | 32 | Very low | 34.4 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 72% | 0.717 | 83% | 0.831 | S | S | * | * | trans | -134.8 | 155.2 | 179.7 | -89.1 | -171.4 | 172.2 | -173.9 | 0 | 111.8 | ||||
| 831 | S | 30.5 | Very low | 34.5 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | trans | 71.8 | 148.1 | 143.2 | 53.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 832 | S | 37.8 | Very low | 34.7 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | trans | 60.9 | 134.4 | 175.3 | 61.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 833 | G | 27.5 | Very low | 34.6 | Very low | 76 Ų | 76 | 139.2 Ų | 139.2 | 78% | 0.784 | 85% | 0.847 | S | S | * | * | cis | 95.7 | 90 | -2.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 834 | R | 41.3 | Very low | 35.1 | Very low | 242 Ų | 242 | 140.9 Ų | 140.9 | 91% | 0.913 | 85% | 0.848 | S | S | * | * | trans | -151.2 | 164.9 | 160.5 | -145.7 | 173.2 | -175.7 | 176 | 1 | 109.2 | ||||
| 835 | S | 38.5 | Very low | 34.4 | Very low | 179 Ų | 179 | 135.7 Ų | 135.7 | 100% | 1.252 | 85% | 0.847 | S | S | * | * | trans | -55 | 0 | 173 | 55.1 | 0 | 0 | 0 | 0 | 113.4 |
Retrieved 835 of 835 residues in 1053.2 ms
(Link to these results)