| 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 | 48.4 | Very low | 44.8 | Very low | 229 Ų | 229 | 152.7 Ų | 152.7 | 100% | 1.128 | 79% | 0.791 | S | S | * | * | 0 | 140.7 | 0 | -157.7 | 160.9 | -174.7 | 0 | 0 | 106.9 | |||||
| 2 | M | 42.9 | Very low | 45.2 | Very low | 168 Ų | 168 | 147.6 Ų | 147.6 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | trans | 85.4 | 83.4 | -163 | -45.1 | -63.7 | 178.6 | 0 | 0 | 112.3 | ||||
| 3 | D | 38.3 | Very low | 45.2 | Very low | 141 Ų | 141 | 146.5 Ų | 146.5 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | 72.5 | 99.9 | 73.7 | -66.8 | -77.7 | 0 | 0 | 0 | 111.9 | |||||
| 4 | F | 42.9 | Very low | 45.7 | Very low | 190 Ų | 190 | 147.1 Ų | 147.1 | 83% | 0.833 | 77% | 0.773 | S | S | * | * | 75.6 | 127.1 | 77.2 | -124.2 | -84 | 0 | 0 | 0 | 116.4 | |||||
| 5 | D | 45.7 | Very low | 46.1 | Very low | 104 Ų | 104 | 150.7 Ų | 150.7 | 56% | 0.556 | 77% | 0.774 | S | S | * | * | trans | 72.9 | 102.1 | 158.2 | -115.9 | -93.2 | 0 | 0 | 0 | 120.1 | R7 | D5-R7 IonicContact OD1-NE 3.52Š| ||
| 6 | E | 49.5 | Very low | 46.5 | Very low | 193 Ų | 193 | 149.9 Ų | 149.9 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | trans | -132 | 117.6 | 144.9 | -154.9 | 173.3 | 170 | 0 | 0 | 110.8 | ||||
| 7 | R | 46.1 | Very low | 46.7 | Very low | 209 Ų | 209 | 146.9 Ų | 146.9 | 79% | 0.789 | 76% | 0.763 | S | S | * | * | trans | -72.3 | 127.3 | -175.1 | -64.2 | 174.8 | -173.3 | 114.9 | 5.9 | 110.4 | D5 P9 | D5-R7 IonicContact OD1-NE 3.52Å; R7-P9 WeakPolarHBondContact O-CD 3.37Å | ||
| 8 | V | 44.1 | Very low | 46.7 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 79% | 0.788 | 76% | 0.764 | S | S | * | * | trans | -84.6 | 116.8 | 159.8 | 177.7 | 0 | 0 | 0 | 0 | 108.2 | C10 | V8-C10 PolarHBondContact O-N 2.95Š| ||
| 9 | P | 49.3 | Very low | 46.5 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | trans | -80 | 98.4 | 165.7 | 30.3 | -27.2 | 0 | 0 | 0 | 108.2 | R7 S11 | R7-P9 WeakPolarHBondContact O-CD 3.37Å; P9-S11 PolarHBondContact O-N 3.21Å | ||
| 10 | C | 42.9 | Very low | 46.5 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | -76.7 | 77.8 | 164.1 | -164.3 | 0 | 0 | 0 | 0 | 108.2 | V8 S12 | V8-C10 PolarHBondContact O-N 2.95Å; C10-S12 VanDerWaalsContact C-N 3.26Å; C10-S12 PolarHBondContact O-N 3.49Å | ||
| 11 | S | 43 | Very low | 46.4 | Very low | 87 Ų | 87 | 145.7 Ų | 145.7 | 61% | 0.608 | 77% | 0.768 | S | S | * | * | trans | -66.7 | 90.1 | 163.5 | 55.3 | 0 | 0 | 0 | 0 | 108 | P9 N13 | P9-S11 PolarHBondContact O-N 3.21Å; S11-N13 PolarHBondContact O-N 3.07Å | ||
| 12 | S | 49.8 | Very low | 46.3 | Very low | 91 Ų | 91 | 144.6 Ų | 144.6 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | trans | -67.3 | 85.4 | 163.7 | 175.6 | 0 | 0 | 0 | 0 | 108 | C10 M14 | C10-S12 VanDerWaalsContact C-N 3.26Å; C10-S12 PolarHBondContact O-N 3.49Å; S12-M14 PolarHBondContact O-N 3.38Å; S12-M14 VanDerWaalsContact O-N 3.09Å | ||
| 13 | N | 44.9 | Very low | 46.4 | Very low | 133 Ų | 133 | 142.1 Ų | 142.1 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | trans | -65.8 | 99.8 | 162.8 | -76.7 | -62.7 | 0 | 0 | 0 | 107 | S11 Y15 | S11-N13 PolarHBondContact O-N 3.07Å; N13-Y15 PolarHBondContact O-N 2.96Å | ||
| 14 | M | 51.4 | Low | 47 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 77% | 0.768 | 75% | 0.746 | S | S | * | * | trans | -69.7 | 69.5 | 168.5 | -72.3 | -80.1 | -72.2 | 0 | 0 | 109.2 | S12 L16 | S12-M14 PolarHBondContact O-N 3.38Å; S12-M14 VanDerWaalsContact O-N 3.09Å; M14-L16 PolarHBondContact O-N 2.89Å | ||
| 15 | Y | 52.8 | Low | 47.1 | Very low | 201 Ų | 201 | 133.6 Ų | 133.6 | 79% | 0.788 | 73% | 0.729 | S | S | * | * | trans | -80.1 | 100.6 | 172.6 | -155.1 | -96.6 | 0 | 0 | 0 | 107.5 | N13 P17 | N13-Y15 PolarHBondContact O-N 2.96Å; Y15-P17 VanDerWaalsContact O-CD 3.24Å; Y15-P17 WeakPolarHBondContact O-CD 3.24Å | ||
| 16 | L | 51.7 | Low | 47.6 | Very low | 138 Ų | 138 | 134.8 Ų | 134.8 | 72% | 0.723 | 74% | 0.742 | S | S | * | * | trans | -88 | 104.8 | 168.3 | -88.8 | 145.1 | 0 | 0 | 0 | 108 | M14 S18 | M14-L16 PolarHBondContact O-N 2.89Å; L16-S18 PolarHBondContact O-N 3.03Å | ||
| 17 | P | 49.5 | Very low | 47.6 | Very low | 98 Ų | 98 | 132 Ų | 132 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 124.9 | 171.5 | 31.1 | -29 | 0 | 0 | 0 | 108.3 | Y15 | Y15-P17 VanDerWaalsContact O-CD 3.24Å; Y15-P17 WeakPolarHBondContact O-CD 3.24Å |
| 18 | S | 46.7 | Very low | 47.6 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 109.9 | 28.7 | 171 | -43.5 | 0 | 0 | 0 | 0 | 118.6 | L16 | L16-S18 PolarHBondContact O-N 3.03Š|
| 19 | C | 44.2 | Very low | 48 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 83% | 0.831 | 74% | 0.741 | S | S | * | * | trans | -100.4 | 63.6 | 158.1 | -77.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 20 | T | 45.1 | Very low | 48.2 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | trans | -110.2 | 83.1 | 165.7 | 56.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 21 | Y | 45.1 | Very low | 48.9 | Very low | 210 Ų | 210 | 133.8 Ų | 133.8 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | trans | -121.6 | 85.3 | 155.6 | -151.4 | -97.9 | 0 | 0 | 0 | 107.3 | V23 | Y21-V23 HydrophobicContact CD1-CG2 3.6Å; Y21-V23 HydrophobicContact CE1-CG2 3.49Å; Y21-V23 VanDerWaalsContact CE1-CG2 3.49Å; Y21-V23 PolarHBondContact O-N 2.92Å | ||
| 22 | Y | 45.5 | Very low | 49.5 | Very low | 205 Ų | 205 | 134.4 Ų | 134.4 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | -63.7 | 108.1 | 162.6 | -89.1 | -91.3 | 0 | 0 | 0 | 107.6 | ||||
| 23 | V | 46.2 | Very low | 49.8 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 71% | 0.709 | 76% | 0.759 | S | S | * | * | trans | -95.5 | 97.1 | 151.6 | 174.6 | 0 | 0 | 0 | 0 | 105.9 | Y21 | Y21-V23 HydrophobicContact CD1-CG2 3.6Å; Y21-V23 HydrophobicContact CE1-CG2 3.49Å; Y21-V23 VanDerWaalsContact CE1-CG2 3.49Å; Y21-V23 PolarHBondContact O-N 2.92Å | ||
| 24 | S | 49.8 | Very low | 50.1 | Low | 105 Ų | 105 | 138.3 Ų | 138.3 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -90.4 | 123.1 | 162.2 | -60.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 25 | G | 45.8 | Very low | 50.3 | Low | 46 Ų | 46 | 138.4 Ų | 138.4 | 47% | 0.474 | 77% | 0.767 | S | S | . | * | trans | 160.9 | 118 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D27 | G25-D27 VanDerWaalsContact C-N 3.26Å; G25-D27 PolarHBondContact O-N 3.23Å; G25-D27 VanDerWaalsContact O-N 3.09Å | ||
| 26 | P | 56.6 | Low | 50.3 | Low | 129 Ų | 129 | 134.4 Ų | 134.4 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | -84.2 | 67.7 | 175.1 | 36.5 | -31.5 | 0 | 0 | 0 | 109.9 | ||||
| 27 | D | 49.7 | Very low | 50.3 | Low | 136 Ų | 136 | 137 Ų | 137 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -122.9 | 62 | -179.7 | -65.7 | -43.8 | 0 | 0 | 0 | 111.3 | G25 | G25-D27 VanDerWaalsContact C-N 3.26Å; G25-D27 PolarHBondContact O-N 3.23Å; G25-D27 VanDerWaalsContact O-N 3.09Å | ||
| 28 | F | 44.5 | Very low | 50.4 | Low | 217 Ų | 217 | 138.5 Ų | 138.5 | 95% | 0.952 | 78% | 0.781 | S | S | * | * | trans | -116.1 | 60.3 | 155.7 | -81 | -79.2 | 0 | 0 | 0 | 109.1 | ||||
| 29 | S | 54 | Low | 50.9 | Low | 109 Ų | 109 | 139.1 Ų | 139.1 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -120.3 | 77.2 | 169.1 | 169.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 30 | S | 53 | Low | 51.1 | Low | 114 Ų | 114 | 137.4 Ų | 137.4 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | 170.8 | 82.9 | 149.8 | 59.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 31 | L | 56.7 | Low | 51.5 | Low | 164 Ų | 164 | 137.6 Ų | 137.6 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | -102.9 | 127.7 | 150.6 | -75.4 | 170.6 | 0 | 0 | 0 | 106.9 | S33 | L31-S33 PolarHBondContact O-N 3.09Š| ||
| 32 | P | 55.6 | Low | 52 | Low | 101 Ų | 101 | 137.6 Ų | 137.6 | 66% | 0.656 | 78% | 0.777 | S | S | * | * | trans | -71.8 | 121 | -179.3 | 29.6 | -32.9 | 0 | 0 | 0 | 109.5 | F34 | P32-F34 VanDerWaalsContact C-N 3.28Å; P32-F34 HydrophobicContact CB-CD2 3.9Å; P32-F34 HydrophobicContact CB-CE2 4.09Å; P32-F34 PolarHBondContact O-N 2.8Å | ||
| 33 | S | 56.3 | Low | 52.4 | Low | 119 Ų | 119 | 133.2 Ų | 133.2 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -71.2 | 80.7 | 171.1 | 44.5 | 0 | 0 | 0 | 0 | 110.3 | L31 | L31-S33 PolarHBondContact O-N 3.09Š| ||
| 34 | F | 52 | Low | 52.7 | Low | 186 Ų | 186 | 134.4 Ų | 134.4 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | trans | -106.2 | 70.8 | 164 | -75.8 | -73.9 | 0 | 0 | 0 | 110.1 | P32 | P32-F34 VanDerWaalsContact C-N 3.28Å; P32-F34 HydrophobicContact CB-CD2 3.9Å; P32-F34 HydrophobicContact CB-CE2 4.09Å; P32-F34 PolarHBondContact O-N 2.8Å | ||
| 35 | L | 54.7 | Low | 52.8 | Low | 159 Ų | 159 | 135.2 Ų | 135.2 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -118.6 | 119 | 151.8 | -88.6 | 162.4 | 0 | 0 | 0 | 106.4 | Q37 | L35-Q37 PolarHBondContact O-N 3.24Š| ||
| 36 | P | 53.1 | Low | 52.9 | Low | 117 Ų | 117 | 142.1 Ų | 142.1 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | trans | -59.1 | 115.4 | 171.2 | -19.5 | 30.6 | 0 | 0 | 0 | 108.9 | T38 | P36-T38 PolarHBondContact O-N 3.07Å; P36-T38 VanDerWaalsContact O-N 3.09Å | ||
| 37 | Q | 51.9 | Low | 52.5 | Low | 193 Ų | 193 | 141.9 Ų | 141.9 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | -63.6 | 105 | 169.5 | -143 | 160.5 | 42.2 | 0 | 0 | 106.9 | L35 P39 | L35-Q37 PolarHBondContact O-N 3.24Å; Q37-P39 WeakPolarHBondContact O-CD 3.45Å | ||
| 38 | T | 51.9 | Low | 52.3 | Low | 128 Ų | 128 | 144.3 Ų | 144.3 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -83.4 | 117.5 | 169.5 | 47.1 | 0 | 0 | 0 | 0 | 108.4 | P36 | P36-T38 PolarHBondContact O-N 3.07Å; P36-T38 VanDerWaalsContact O-N 3.09Å | ||
| 39 | P | 57.2 | Low | 52.7 | Low | 125 Ų | 125 | 138.7 Ų | 138.7 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | -96.8 | 94.2 | 171.9 | 33.6 | -23 | 0 | 0 | 0 | 107.9 | Q37 | Q37-P39 WeakPolarHBondContact O-CD 3.45Š| ||
| 40 | S | 47.4 | Very low | 52.6 | Low | 87 Ų | 87 | 137.8 Ų | 137.8 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | trans | -166.8 | 77.2 | 160.8 | -156.6 | 0 | 0 | 0 | 0 | 112.6 | R42 | S40-R42 PolarHBondContact O-N 3.18Å; S40-R42 VanDerWaalsContact O-N 3.1Å | ||
| 41 | S | 54.3 | Low | 52.9 | Low | 122 Ų | 122 | 139.4 Ų | 139.4 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -71.9 | 84.3 | 150.7 | 56.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 42 | R | 55.5 | Low | 53.2 | Low | 211 Ų | 211 | 138.3 Ų | 138.3 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | -99.6 | 117.4 | 157.9 | -74.5 | -172.4 | -179.1 | -162.4 | 0.6 | 107.4 | S40 M44 | S40-R42 PolarHBondContact O-N 3.18Å; S40-R42 VanDerWaalsContact O-N 3.1Å; R42-M44 PolarHBondContact O-N 3.03Å; R42-M44 VanDerWaalsContact O-N 3.11Å | ||
| 43 | P | 53.2 | Low | 53.1 | Low | 112 Ų | 112 | 138.8 Ų | 138.8 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -63.8 | 115.8 | 165.4 | 26 | -29.5 | 0 | 0 | 0 | 107.2 | T45 | P43-T45 PolarHBondContact O-N 3.11Š| ||
| 44 | M | 53 | Low | 53.1 | Low | 142 Ų | 142 | 141.9 Ų | 141.9 | 70% | 0.7 | 77% | 0.768 | S | S | * | * | trans | -68.9 | 99.4 | 169.4 | -156.8 | 72 | 175.8 | 0 | 0 | 106.7 | R42 Y46 | R42-M44 PolarHBondContact O-N 3.03Å; R42-M44 VanDerWaalsContact O-N 3.11Å; M44-Y46 HydrophobicContact CB-CD2 4.33Å; M44-Y46 HydrophobicContact CB-CE2 3.81Å; M44-Y46 HydrophobicContact CG-CD2 4.33Å; M44-Y46 HydrophobicContact CG-CE1 4.31Å; M44-Y46 HydrophobicContact CG-CE2 3.75Å; M44-Y46 WeakPolarHBondContact O-CD2 3.31Å; M44-Y46 PolarHBondContact O-N 3.16Å | ||
| 45 | T | 51.7 | Low | 53.2 | Low | 122 Ų | 122 | 139.2 Ų | 139.2 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -75.3 | 93.1 | 174.6 | 53.2 | 0 | 0 | 0 | 0 | 108 | P43 S47 | P43-T45 PolarHBondContact O-N 3.11Å; T45-S47 PolarHBondContact O-N 3.36Å | ||
| 46 | Y | 48.8 | Very low | 52.7 | Low | 192 Ų | 192 | 138.6 Ų | 138.6 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | trans | -71 | 112.3 | 167.1 | -66.5 | -83.1 | 0 | 0 | 0 | 108.2 | M44 Y48 | M44-Y46 HydrophobicContact CB-CD2 4.33Å; M44-Y46 HydrophobicContact CB-CE2 3.81Å; M44-Y46 HydrophobicContact CG-CD2 4.33Å; M44-Y46 HydrophobicContact CG-CE1 4.31Å; M44-Y46 HydrophobicContact CG-CE2 3.75Å; M44-Y46 WeakPolarHBondContact O-CD2 3.31Å; M44-Y46 PolarHBondContact O-N 3.16Å; Y46-Y48 VanDerWaalsContact C-N 3.27Å; Y46-Y48 PolarHBondContact O-N 2.99Å | ||
| 47 | S | 48.6 | Very low | 52.9 | Low | 123 Ų | 123 | 138.1 Ų | 138.1 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | -68.9 | 85.7 | 169.1 | -56.4 | 0 | 0 | 0 | 0 | 109 | T45 S49 | T45-S47 PolarHBondContact O-N 3.36Å; S47-S49 PolarHBondContact O-N 3.22Å | ||
| 48 | Y | 44.7 | Very low | 53 | Low | 187 Ų | 187 | 134.9 Ų | 134.9 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | -79.2 | 108.2 | 169.3 | -165.1 | -97.6 | 0 | 0 | 0 | 108.5 | Y46 S50 | Y46-Y48 VanDerWaalsContact C-N 3.27Å; Y46-Y48 PolarHBondContact O-N 2.99Å; Y48-S50 PolarHBondContact O-N 3.29Å; Y48-S50 PolarHBondContact O-OG 3.36Å | ||
| 49 | S | 53.6 | Low | 53.2 | Low | 99 Ų | 99 | 139.5 Ų | 139.5 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | trans | -63.8 | 102.9 | 172.5 | -157.5 | 0 | 0 | 0 | 0 | 108.5 | S47 N51 | S47-S49 PolarHBondContact O-N 3.22Å; S49-N51 PolarHBondContact O-N 3.48Å; S49-N51 VanDerWaalsContact O-N 3.14Å | ||
| 50 | S | 51.7 | Low | 53 | Low | 91 Ų | 91 | 141.9 Ų | 141.9 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | trans | -87.3 | 76 | -174 | -57.6 | 0 | 0 | 0 | 0 | 109.9 | Y48 L52 | Y48-S50 PolarHBondContact O-N 3.29Å; Y48-S50 PolarHBondContact O-OG 3.36Å; S50-L52 PolarHBondContact O-N 3.22Å | ||
| 51 | N | 58.5 | Low | 53.1 | Low | 147 Ų | 147 | 142.7 Ų | 142.7 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | trans | -92.6 | 57.8 | 162.5 | -76.6 | -67.9 | 0 | 0 | 0 | 109.8 | S49 | S49-N51 PolarHBondContact O-N 3.48Å; S49-N51 VanDerWaalsContact O-N 3.14Å | ||
| 52 | L | 64.4 | Low | 53 | Low | 141 Ų | 141 | 142.7 Ų | 142.7 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -111.4 | 129.2 | 167.4 | -131.1 | 72.7 | 0 | 0 | 0 | 107.5 | S50 Q54 | S50-L52 PolarHBondContact O-N 3.22Å; L52-Q54 PolarHBondContact O-N 3.29Å |
| 53 | P | 52 | Low | 52.5 | Low | 112 Ų | 112 | 142.4 Ų | 142.4 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -55.6 | 130.5 | 179.2 | 20.6 | -30.5 | 0 | 0 | 0 | 109.7 | V55 | P53-V55 PolarHBondContact O-N 3.08Š| ||
| 54 | Q | 56.3 | Low | 52.5 | Low | 184 Ų | 184 | 148 Ų | 148 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | -57.9 | 99.7 | -177.3 | -174.5 | 161.4 | 1.7 | 0 | 0 | 110.5 | L52 | L52-Q54 PolarHBondContact O-N 3.29Š| ||
| 55 | V | 54.9 | Low | 51.9 | Low | 129 Ų | 129 | 149.5 Ų | 149.5 | 78% | 0.782 | 77% | 0.766 | S | S | * | * | trans | -81.4 | 121.3 | 172.3 | -175.5 | 0 | 0 | 0 | 0 | 108 | P53 | P53-V55 PolarHBondContact O-N 3.08Š| ||
| 56 | Q | 44.5 | Very low | 51.6 | Low | 146 Ų | 146 | 154 Ų | 154 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | trans | -58.4 | 144.4 | -178.1 | -70.9 | -77.5 | 57.2 | 0 | 0 | 112.3 | V58 | Q56-V58 PolarHBondContact O-N 3.39Å; Q56-V58 VanDerWaalsContact O-N 3.16Å | ||
| 57 | P | 57.6 | Low | 51.3 | Low | 108 Ų | 108 | 149.8 Ų | 149.8 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | -65.7 | 115.8 | 177.4 | 25.4 | -31.4 | 0 | 0 | 0 | 111 | R59 | P57-R59 VanDerWaalsContact C-N 3.25Å; P57-R59 PolarHBondContact O-N 3.37Å | ||
| 58 | V | 52.8 | Low | 51.1 | Low | 124 Ų | 124 | 151 Ų | 151 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 75.9 | 175.9 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | Q56 V61 | Q56-V58 PolarHBondContact O-N 3.39Å; Q56-V58 VanDerWaalsContact O-N 3.16Å; V58-V61 HydrophobicContact CG1-CG2 4.24Å |
| 59 | R | 57.4 | Low | 51 | Low | 225 Ų | 225 | 147.8 Ų | 147.8 | 85% | 0.849 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.9 | 0.4 | 161.7 | 75.6 | 176.5 | -154.6 | 154.1 | 6.6 | 115.4 | P57 | P57-R59 VanDerWaalsContact C-N 3.25Å; P57-R59 PolarHBondContact O-N 3.37Å |
| 60 | E | 51.6 | Low | 50.7 | Low | 175 Ų | 175 | 149.3 Ų | 149.3 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -142.2 | 71.8 | 167.7 | -67.4 | -170.9 | -171.3 | 0 | 0 | 109.7 | ||||
| 61 | V | 49.6 | Very low | 50.4 | Low | 105 Ų | 105 | 149.7 Ų | 149.7 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | trans | -102.7 | 97.7 | 159.8 | -177.9 | 0 | 0 | 0 | 0 | 105.9 | V58 F63 | V58-V61 HydrophobicContact CG1-CG2 4.24Å; V61-F63 PolarHBondContact O-N 3.4Å | ||
| 62 | T | 51.8 | Low | 49.5 | Very low | 121 Ų | 121 | 147.7 Ų | 147.7 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | trans | -48.5 | 123.1 | 166.4 | 18.9 | 0 | 0 | 0 | 0 | 109.3 | R64 | T62-R64 PolarHBondContact O-N 2.91Š| ||
| 63 | F | 45.4 | Very low | 48.6 | Very low | 206 Ų | 206 | 149.2 Ų | 149.2 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 59.8 | -175.4 | -149.3 | -89.3 | 0 | 0 | 0 | 111.4 | V61 | V61-F63 PolarHBondContact O-N 3.4Š|
| 64 | R | 53.3 | Low | 48 | Very low | 230 Ų | 230 | 155.6 Ų | 155.6 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135 | 5.3 | -175.5 | -75.3 | -113.9 | 176 | -97.1 | -0.4 | 115.1 | T62 | T62-R64 PolarHBondContact O-N 2.91Š|
| 65 | E | 41.4 | Very low | 47.3 | Very low | 173 Ų | 173 | 154.5 Ų | 154.5 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -129.5 | 43.8 | -174.3 | -153.1 | 175 | 177.8 | 0 | 0 | 114.4 | ||
| 66 | Y | 44.8 | Very low | 46.9 | Very low | 217 Ų | 217 | 153.9 Ų | 153.9 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | -137.3 | 62.1 | 155.4 | -68.8 | -75.4 | 0 | 0 | 0 | 108.8 | I68 | Y66-I68 PolarHBondContact O-N 3.22Š| ||
| 67 | A | 43.1 | Very low | 46.9 | Very low | 102 Ų | 102 | 158.8 Ų | 158.8 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -68.2 | 92.7 | 155.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | D69 | A67-D69 PolarHBondContact O-N 2.85Š| ||
| 68 | I | 44.6 | Very low | 45.6 | Very low | 150 Ų | 150 | 161.3 Ų | 161.3 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -64.9 | 112.3 | 165.1 | -64.7 | 168.3 | 0 | 0 | 0 | 105.9 | Y66 | Y66-I68 PolarHBondContact O-N 3.22Š| ||
| 69 | D | 42.5 | Very low | 45 | Very low | 118 Ų | 118 | 163 Ų | 163 | 63% | 0.631 | 80% | 0.802 | S | S | * | * | trans | -48.3 | 126.1 | 171.6 | -161.8 | -20.5 | 0 | 0 | 0 | 110.5 | A67 S71 | A67-D69 PolarHBondContact O-N 2.85Å; D69-S71 PolarHBondContact O-N 3.23Å; D69-S71 VanDerWaalsContact O-N 3.09Å | ||
| 70 | P | 45.6 | Very low | 44.2 | Very low | 132 Ų | 132 | 159.6 Ų | 159.6 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 10.4 | -176.8 | 31.3 | -34 | 0 | 0 | 0 | 113.8 | ||
| 71 | S | 45.3 | Very low | 44.2 | Very low | 98 Ų | 98 | 156.4 Ų | 156.4 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 10.3 | -174.8 | -168.9 | 0 | 0 | 0 | 0 | 116.1 | D69 K73 | D69-S71 PolarHBondContact O-N 3.23Å; D69-S71 VanDerWaalsContact O-N 3.09Å; S71-K73 PolarHBondContact O-N 3.41Å; S71-K73 VanDerWaalsContact O-N 3.09Å |
| 72 | S | 39.9 | Very low | 43.6 | Very low | 105 Ų | 105 | 160.1 Ų | 160.1 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | -87.9 | 80.3 | 175.2 | -67.3 | 0 | 0 | 0 | 0 | 111.8 | W74 | S72-W74 PolarHBondContact O-N 3.32Å; S72-W74 VanDerWaalsContact O-N 3.17Å | ||
| 73 | K | 45.4 | Very low | 42.9 | Very low | 174 Ų | 174 | 159.5 Ų | 159.5 | 76% | 0.757 | 80% | 0.803 | S | S | * | * | trans | -50.6 | 110.6 | 168.4 | -168.1 | 176.8 | -173.6 | 178.9 | 0 | 109.9 | S71 H75 | S71-K73 PolarHBondContact O-N 3.41Å; S71-K73 VanDerWaalsContact O-N 3.09Å; K73-H75 PolarHBondContact O-N 3.15Å | ||
| 74 | W | 39.8 | Very low | 42.5 | Very low | 246 Ų | 246 | 160.6 Ų | 160.6 | 93% | 0.932 | 80% | 0.803 | S | S | * | * | trans | -59.5 | 106.6 | 170.2 | -74.9 | 85.7 | 0 | 0 | 0 | 109.2 | S72 P76 | S72-W74 PolarHBondContact O-N 3.32Å; S72-W74 VanDerWaalsContact O-N 3.17Å; W74-P76 WeakPolarHBondContact O-CD 3.21Å | ||
| 75 | H | 42.6 | Very low | 42.2 | Very low | 160 Ų | 160 | 154.3 Ų | 154.3 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | -68.4 | 123.5 | 169.9 | -74.2 | -73.8 | 0 | 0 | 0 | 109.1 | K73 R77 | K73-H75 PolarHBondContact O-N 3.15Å; H75-R77 PolarHBondContact O-N 2.63Å | ||
| 76 | P | 45.3 | Very low | 41.8 | Very low | 116 Ų | 116 | 150.9 Ų | 150.9 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | -68.9 | 123.1 | 168.9 | 9.1 | 2.8 | 0 | 0 | 0 | 107.4 | W74 N78 | W74-P76 WeakPolarHBondContact O-CD 3.21Å; P76-N78 PolarHBondContact O-N 3.1Å | ||
| 77 | R | 44.6 | Very low | 41.8 | Very low | 250 Ų | 250 | 148.5 Ų | 148.5 | 94% | 0.943 | 79% | 0.792 | S | S | * | * | trans | -62.7 | 101.1 | 171.2 | -79.9 | -167.7 | 155.6 | -147.2 | -5.5 | 109.3 | H75 | H75-R77 PolarHBondContact O-N 2.63Š| ||
| 78 | N | 30.9 | Very low | 41.5 | Very low | 160 Ų | 160 | 151.6 Ų | 151.6 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -115 | 136.2 | 160.5 | -115.2 | 28.9 | 0 | 0 | 0 | 108.9 | P76 | P76-N78 PolarHBondContact O-N 3.1Š| ||
| 79 | N | 40.5 | Very low | 41.6 | Very low | 161 Ų | 161 | 151 Ų | 151 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | -50.7 | 135.6 | 179.8 | -75.1 | -38.8 | 0 | 0 | 0 | 113.9 | ||||
| 80 | L | 40.3 | Very low | 42 | Very low | 153 Ų | 153 | 153.5 Ų | 153.5 | 80% | 0.801 | 80% | 0.796 | S | S | * | * | trans | -169.8 | 141.3 | 130.4 | -147 | 54 | 0 | 0 | 0 | 111.2 | ||||
| 81 | P | 51.4 | Low | 41.9 | Very low | 107 Ų | 107 | 155.3 Ų | 155.3 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | trans | -82.7 | 142 | 178 | 34 | -31.4 | 0 | 0 | 0 | 110.2 | ||||
| 82 | H | 37.6 | Very low | 41.5 | Very low | 183 Ų | 183 | 160.4 Ų | 160.4 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | trans | -146.1 | 112.8 | 162.7 | -113.2 | -51.9 | 0 | 0 | 0 | 112.7 | ||||
| 83 | C | 37.1 | Very low | 41.3 | Very low | 109 Ų | 109 | 161.1 Ų | 161.1 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -67.6 | 159.3 | 155.5 | -62 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 84 | Y | 37.6 | Very low | 40.8 | Very low | 229 Ų | 229 | 159.3 Ų | 159.3 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | 96.3 | 109.6 | 166.6 | -86.4 | -88.2 | 0 | 0 | 0 | 119.2 | ||||
| 85 | S | 45.6 | Very low | 40.6 | Very low | 97 Ų | 97 | 155.6 Ų | 155.6 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | -68.7 | 141.4 | 159 | -175.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 86 | A | 33.1 | Very low | 40.6 | Very low | 102 Ų | 102 | 153.4 Ų | 153.4 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -157 | 117.8 | 153.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 87 | E | 45.4 | Very low | 39.9 | Very low | 166 Ų | 166 | 153.2 Ų | 153.2 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -68.7 | 162.1 | 170.5 | -64.9 | 150.8 | -175.8 | 0 | 0 | 110.4 | ||||
| 88 | E | 36.8 | Very low | 39.5 | Very low | 168 Ų | 168 | 147.7 Ų | 147.7 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | 88.4 | 135.3 | 146.3 | -104.7 | -170 | 147.9 | 0 | 0 | 121.8 | ||||
| 89 | I | 46.5 | Very low | 39.7 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | trans | 96.7 | 98.1 | 142.9 | -67.9 | 153 | 0 | 0 | 0 | 117.4 | ||||
| 90 | M | 51.1 | Low | 39.6 | Very low | 169 Ų | 169 | 146.7 Ų | 146.7 | 83% | 0.833 | 79% | 0.794 | S | S | * | * | trans | -57 | 139.2 | 153.9 | -46.2 | -148.7 | -128.7 | 0 | 0 | 110.2 | ||||
| 91 | H | 43.1 | Very low | 39.4 | Very low | 171 Ų | 171 | 143.7 Ų | 143.7 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | trans | 174.3 | 139.1 | 132.5 | -102.6 | -74.5 | 0 | 0 | 0 | 113.9 | ||||
| 92 | R | 37.1 | Very low | 38.6 | Very low | 205 Ų | 205 | 143.7 Ų | 143.7 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | trans | 97 | 131.3 | 138.8 | -79.2 | -72.2 | 178.7 | -165.8 | 4.5 | 121.8 | ||||
| 93 | D | 36 | Very low | 38.7 | Very low | 120 Ų | 120 | 144 Ų | 144 | 64% | 0.642 | 80% | 0.798 | S | S | * | * | trans | -58.1 | 146.1 | 178.1 | -43.8 | -78.7 | 0 | 0 | 0 | 114.5 | ||||
| 94 | C | 35 | Very low | 38.5 | Very low | 136 Ų | 136 | 142.2 Ų | 142.2 | 92% | 0.919 | 80% | 0.797 | S | S | * | * | trans | -175.2 | 127.2 | 138.6 | -90.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 95 | L | 35 | Very low | 38.7 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -74.2 | -175.2 | 176.5 | -59.4 | 171.9 | 0 | 0 | 0 | 112.5 | ||||
| 96 | P | 43.8 | Very low | 38.8 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | cis | -131.4 | 172.7 | -25.2 | 25 | -2.3 | 0 | 0 | 0 | 113.7 | ||||
| 97 | S | 30.3 | Very low | 39.4 | Very low | 113 Ų | 113 | 149.3 Ų | 149.3 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | -150.5 | 109.9 | 152.1 | -86.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 98 | T | 35.4 | Very low | 38.9 | Very low | 133 Ų | 133 | 145.1 Ų | 145.1 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | trans | 51.7 | 107.8 | 143.4 | 62.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 99 | N | 35.3 | Very low | 39.1 | Very low | 159 Ų | 159 | 145.9 Ų | 145.9 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | trans | -31.5 | 133.3 | 147.7 | -99.8 | -31 | 0 | 0 | 0 | 115.3 | ||||
| 100 | T | 38.8 | Very low | 38.5 | Very low | 142 Ų | 142 | 146 Ų | 146 | 87% | 0.871 | 81% | 0.814 | S | S | * | * | -140.8 | 124.3 | 123.8 | 61.3 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 101 | A | 35.2 | Very low | 37.7 | Very low | 90 Ų | 90 | 144 Ų | 144 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | trans | -66.7 | 156.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 102 | S | 35.7 | Very low | 37.5 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | 178.3 | 119.8 | 63.2 | 161.7 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 103 | M | 38.1 | Very low | 37.4 | Very low | 189 Ų | 189 | 136.9 Ų | 136.9 | 93% | 0.931 | 81% | 0.807 | S | S | * | * | 69.1 | 118.1 | 97.9 | -117.7 | -86 | -152.6 | 0 | 0 | 114.8 | |||||
| 104 | G | 33.3 | Very low | 37.4 | Very low | 71 Ų | 71 | 137.8 Ų | 137.8 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | trans | 155.2 | 64.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 105 | E | 41.6 | Very low | 37.4 | Very low | 179 Ų | 179 | 140.6 Ų | 140.6 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | trans | -68.2 | 141.4 | 151.6 | -70.8 | 176.5 | 124 | 0 | 0 | 108.7 | ||||
| 106 | M | 48.3 | Very low | 37.4 | Very low | 191 Ų | 191 | 141.5 Ų | 141.5 | 94% | 0.941 | 81% | 0.809 | S | S | * | * | trans | -161.5 | 123.8 | 133.5 | -61.4 | -158.6 | -150.7 | 0 | 0 | 110.6 | ||||
| 107 | F | 45.1 | Very low | 37.5 | Very low | 208 Ų | 208 | 141.4 Ų | 141.4 | 91% | 0.912 | 81% | 0.808 | S | S | * | * | trans | -69.5 | 146.3 | 164 | -86.5 | -96.4 | 0 | 0 | 0 | 111.1 | ||||
| 108 | G | 36.6 | Very low | 37.5 | Very low | 77 Ų | 77 | 140.7 Ų | 140.7 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -153.2 | 116.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 109 | K | 40.3 | Very low | 37.9 | Very low | 185 Ų | 185 | 140 Ų | 140 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -89.1 | 159.4 | -178.1 | -60.6 | 168.5 | 179.1 | 173.2 | 0 | 111.3 | ||||
| 110 | N | 33.4 | Very low | 37.8 | Very low | 139 Ų | 139 | 140 Ų | 140 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | trans | 89.8 | 114.2 | 145.1 | -74.9 | -20.6 | 0 | 0 | 0 | 122.2 | ||||
| 111 | T | 34.5 | Very low | 38 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | 53.6 | 123.6 | 125.8 | 64.5 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 112 | A | 38.2 | Very low | 38.1 | Very low | 91 Ų | 91 | 139.7 Ų | 139.7 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | 176.8 | 131.7 | 101.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 113 | N | 36.1 | Very low | 38.7 | Very low | 137 Ų | 137 | 140 Ų | 140 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | trans | 26.6 | 137 | 146.1 | -66.8 | -8.5 | 0 | 0 | 0 | 122 | ||||
| 114 | V | 35.2 | Very low | 38.6 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | -156.4 | 133.9 | 115.3 | 172.1 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 115 | Y | 35.3 | Very low | 39.2 | Very low | 194 Ų | 194 | 142 Ų | 142 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | trans | -74.4 | 147.5 | 175.7 | -79.8 | -104.7 | 0 | 0 | 0 | 112.7 | ||||
| 116 | H | 35.9 | Very low | 39.3 | Very low | 186 Ų | 186 | 142.2 Ų | 142.2 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -153.5 | 141.5 | 130.8 | -91.1 | -70 | 0 | 0 | 0 | 111.6 | ||||
| 117 | P | 44.4 | Very low | 39.2 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | -101.3 | 172.5 | -177.1 | 39.9 | -32.8 | 0 | 0 | 0 | 113.2 | ||||
| 118 | S | 31 | Very low | 39.1 | Very low | 98 Ų | 98 | 132.4 Ų | 132.4 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | trans | 109.6 | 106.1 | 147.1 | -140.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 119 | T | 43.8 | Very low | 39.8 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | 51.8 | 107.4 | 128.2 | 62.5 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 120 | N | 32.4 | Very low | 40.4 | Very low | 157 Ų | 157 | 128.3 Ų | 128.3 | 84% | 0.84 | 73% | 0.734 | S | S | * | * | -144.9 | 127.5 | 127.2 | -131.6 | -34.5 | 0 | 0 | 0 | 111.1 | |||||
| 121 | V | 44.3 | Very low | 41.4 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -89.6 | 106.8 | -178.5 | 178.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 122 | S | 36.7 | Very low | 42 | Very low | 92 Ų | 92 | 132.7 Ų | 132.7 | 64% | 0.643 | 74% | 0.736 | S | S | * | * | trans | -132.3 | 98 | 166.6 | -58.3 | 0 | 0 | 0 | 0 | 108.7 | N124 | S122-N124 PolarHBondContact O-N 2.62Å; S122-N124 VanDerWaalsContact O-N 3.07Å | ||
| 123 | S | 47.9 | Very low | 43 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 78% | 0.783 | 74% | 0.735 | S | S | * | * | trans | 1.8 | 88.5 | 155.8 | 165.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 124 | N | 36.7 | Very low | 44.3 | Very low | 123 Ų | 123 | 131 Ų | 131 | 66% | 0.658 | 74% | 0.735 | S | S | * | * | trans | -116.4 | 80.3 | 163.8 | -79 | -30.8 | 0 | 0 | 0 | 109.3 | S122 Y126 | S122-N124 PolarHBondContact O-N 2.62Å; S122-N124 VanDerWaalsContact O-N 3.07Å; N124-Y126 PolarHBondContact O-N 3.11Å | ||
| 125 | F | 46.3 | Very low | 45.6 | Very low | 179 Ų | 179 | 128.5 Ų | 128.5 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -2.4 | -179.1 | -171.5 | -102.8 | 0 | 0 | 0 | 114.2 | ||
| 126 | Y | 43.9 | Very low | 47.4 | Very low | 184 Ų | 184 | 123.6 Ų | 123.6 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.2 | -3.5 | -179 | -86.3 | -82.2 | 0 | 0 | 0 | 116.3 | N124 T128 | N124-Y126 PolarHBondContact O-N 3.11Å; Y126-T128 PolarHBondContact O-N 2.84Å |
| 127 | S | 44.8 | Very low | 48.7 | Very low | 90 Ų | 90 | 122.8 Ų | 122.8 | 63% | 0.629 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -79 | -8.9 | -173.1 | -73.5 | 0 | 0 | 0 | 0 | 115.9 | ||
| 128 | T | 42.6 | Very low | 49.7 | Very low | 104 Ų | 104 | 121.2 Ų | 121.2 | 64% | 0.638 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -90.5 | -4.9 | -173 | 28.2 | 0 | 0 | 0 | 0 | 115.3 | Y126 G130 | Y126-T128 PolarHBondContact O-N 2.84Å; T128-G130 PolarHBondContact O-N 3.37Å; T128-G130 VanDerWaalsContact O-N 3.16Å |
| 129 | V | 51.4 | Low | 51.1 | Low | 124 Ų | 124 | 121.5 Ų | 121.5 | 75% | 0.752 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -74.3 | -2.8 | -176.9 | -61.7 | 0 | 0 | 0 | 0 | 115 | ||
| 130 | G | 54.3 | Low | 52.4 | Low | 51 Ų | 51 | 119.4 Ų | 119.4 | 53% | 0.526 | 68% | 0.675 | S | S | . | * | G | 310 helix | trans | -94.5 | -15.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | T128 N132 | T128-G130 PolarHBondContact O-N 3.37Å; T128-G130 VanDerWaalsContact O-N 3.16Å; G130-N132 PolarHBondContact O-N 3.34Å |
| 131 | R | 53.2 | Low | 54.1 | Low | 224 Ų | 224 | 118.5 Ų | 118.5 | 85% | 0.845 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | 7.8 | -163.9 | -76.7 | -171.9 | 176.7 | 172.4 | -0 | 116.6 | G133 | R131-G133 PolarHBondContact O-N 2.89Š|
| 132 | N | 48.5 | Very low | 55.1 | Low | 135 Ų | 135 | 118.9 Ų | 118.9 | 72% | 0.722 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 12.9 | 179.9 | -61.8 | -25.7 | 0 | 0 | 0 | 113.9 | G130 V134 | G130-N132 PolarHBondContact O-N 3.34Å; N132-V134 HydrophobicContact CB-CG2 4.22Å; N132-V134 WeakPolarHBondContact O-CG2 3.43Å; N132-V134 PolarHBondContact O-N 3.42Å |
| 133 | G | 58.2 | Low | 56.2 | Low | 70 Ų | 70 | 119.4 Ų | 119.4 | 72% | 0.722 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 62.6 | 13.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R131 | R131-G133 PolarHBondContact O-N 2.89Š|
| 134 | V | 64 | Low | 56.8 | Low | 121 Ų | 121 | 121.2 Ų | 121.2 | 73% | 0.733 | 64% | 0.644 | S | S | * | * | trans | -80.1 | -22.6 | -178.7 | -175.8 | 0 | 0 | 0 | 0 | 111.4 | N132 | N132-V134 HydrophobicContact CB-CG2 4.22Å; N132-V134 WeakPolarHBondContact O-CG2 3.43Å; N132-V134 PolarHBondContact O-N 3.42Å | ||
| 135 | L | 62.4 | Low | 58.3 | Low | 88 Ų | 88 | 120.9 Ų | 120.9 | 46% | 0.461 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -107.1 | 135.7 | 176.6 | -96.3 | 76.2 | 0 | 0 | 0 | 110.8 | Q137 F139 | L135-Q137 PolarHBondContact O-N 3.17Å; L135-F139 HydrophobicContact CB-CB 4.35Å; L135-F139 HydrophobicContact CD2-CB 3.79Å; L135-F139 HydrophobicContact CD2-CD1 3.48Å; L135-F139 VanDerWaalsContact CD2-CD1 3.48Å; L135-F139 HydrophobicContact CD2-CE1 4.19Å; L135-F139 HydrophobicContact CD2-CG 3.72Å; L135-F139 HydrophobicContact CG-CB 4.46Å |
| 136 | P | 73.5 | Confident | 58.7 | Low | 91 Ų | 91 | 115.3 Ų | 115.3 | 59% | 0.591 | 63% | 0.633 | S | S | * | * | trans | -54.8 | 139.4 | 170.3 | -23.8 | 33.4 | 0 | 0 | 0 | 110.8 | A138 F139 | P136-A138 PolarHBondContact O-N 3.2Å; P136-F139 WeakPolarHBondContact O-CB 3.41Å; P136-F139 PolarHBondContact O-N 3.29Å | ||
| 137 | Q | 63 | Low | 59.3 | Low | 168 Ų | 168 | 115.2 Ų | 115.2 | 79% | 0.785 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -56.1 | -22.2 | -177.2 | -163 | 157.3 | 2.4 | 0 | 0 | 113.9 | L135 F139 D140 | L135-Q137 PolarHBondContact O-N 3.17Å; Q137-F139 PolarHBondContact O-N 3.34Å; Q137-D140 PolarHBondContact O-N 3.22Å |
| 138 | A | 65.4 | Low | 59.1 | Low | 81 Ų | 81 | 113.3 Ų | 113.3 | 67% | 0.669 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -61.7 | -18.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | P136 | P136-A138 PolarHBondContact O-N 3.2Š|
| 139 | F | 59.2 | Low | 58.9 | Low | 104 Ų | 104 | 113.6 Ų | 113.6 | 46% | 0.456 | 63% | 0.629 | S | S | . | * | G | 310 helix | trans | -84.5 | -19.4 | 178.9 | -123.1 | -95.2 | 0 | 0 | 0 | 113.1 | L135 P136 Q137 Q141 F142 F143 | L135-F139 HydrophobicContact CB-CB 4.35Å; L135-F139 HydrophobicContact CD2-CB 3.79Å; L135-F139 HydrophobicContact CD2-CD1 3.48Å; L135-F139 VanDerWaalsContact CD2-CD1 3.48Å; L135-F139 HydrophobicContact CD2-CE1 4.19Å; L135-F139 HydrophobicContact CD2-CG 3.72Å; L135-F139 HydrophobicContact CG-CB 4.46Å; P136-F139 WeakPolarHBondContact O-CB 3.41Å; P136-F139 PolarHBondContact O-N 3.29Å; Q137-F139 PolarHBondContact O-N 3.34Å; F139-Q141 VanDerWaalsContact C-N 3.3Å; F139-Q141 PolarHBondContact O-N 3.46Å; F139-F142 WeakPolarHBondContact O-CB 3.47Å; F139-F142 PolarHBondContact O-N 2.87Å; F139-F143 HydrophobicContact CD1-CE2 4.09Å; F139-F143 WeakPolarHBondContact O-CD2 3.47Å; F139-F143 PolarHBondContact O-N 3.18Å |
| 140 | D | 70.6 | Confident | 58.4 | Low | 74 Ų | 74 | 114.7 Ų | 114.7 | 40% | 0.396 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -64.9 | -37.5 | 176.9 | -68.3 | -27 | 0 | 0 | 0 | 111 | Q137 F142 F143 E144 | Q137-D140 PolarHBondContact O-N 3.22Å; D140-F142 PolarHBondContact O-N 2.71Å; D140-F143 PolarHBondContact O-N 2.71Å; D140-E144 PolarHBondContact O-N 2.97Å |
| 141 | Q | 68.8 | Low | 58.1 | Low | 139 Ų | 139 | 119.3 Ų | 119.3 | 65% | 0.65 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -62.3 | -28.2 | 176.9 | -169 | 161.8 | 4.5 | 0 | 0 | 112.7 | F139 T145 | F139-Q141 VanDerWaalsContact C-N 3.3Å; F139-Q141 PolarHBondContact O-N 3.46Å; Q141-T145 WeakPolarHBondContact O-CB 3.36Å; Q141-T145 PolarHBondContact O-N 3Å; Q141-T145 PolarHBondContact O-OG1 3.48Å |
| 142 | F | 64.9 | Low | 57.7 | Low | 143 Ų | 143 | 116.3 Ų | 116.3 | 63% | 0.627 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.4 | -37.8 | 173.9 | -170.8 | -95 | 0 | 0 | 0 | 111.8 | F139 D140 A146 | F139-F142 WeakPolarHBondContact O-CB 3.47Å; F139-F142 PolarHBondContact O-N 2.87Å; D140-F142 PolarHBondContact O-N 2.71Å; F142-A146 WeakPolarHBondContact O-CB 3.32Å; F142-A146 PolarHBondContact O-N 2.81Å |
| 143 | F | 60.7 | Low | 57.2 | Low | 102 Ų | 102 | 118.7 Ų | 118.7 | 45% | 0.447 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -71.4 | -44.5 | 176.9 | -80 | -82.4 | 0 | 0 | 0 | 111.8 | F139 D140 T145 A146 Y147 | F139-F143 HydrophobicContact CD1-CE2 4.09Å; F139-F143 WeakPolarHBondContact O-CD2 3.47Å; F139-F143 PolarHBondContact O-N 3.18Å; D140-F143 PolarHBondContact O-N 2.71Å; F143-T145 VanDerWaalsContact C-N 3.29Å; F143-T145 PolarHBondContact O-N 3.01Å; F143-A146 PolarHBondContact O-N 3.41Å; F143-Y147 HydrophobicContact CD1-CD2 4.48Å; F143-Y147 AromaticContact CD1-CE2 3.91Å; F143-Y147 HydrophobicContact CD1-CE2 3.91Å; F143-Y147 WeakPolarHBondContact O-CD2 3.18Å; F143-Y147 PolarHBondContact O-N 2.99Å |
| 144 | E | 61.2 | Low | 56.1 | Low | 151 Ų | 151 | 120.4 Ų | 120.4 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -61.4 | -37.5 | 176.9 | -73.7 | -173 | 156.5 | 0 | 0 | 112.5 | D140 G148 | D140-E144 PolarHBondContact O-N 2.97Å; E144-G148 PolarHBondContact O-N 3.25Å |
| 145 | T | 66.9 | Low | 54.9 | Low | 115 Ų | 115 | 119.6 Ų | 119.6 | 71% | 0.706 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -71 | -31.9 | 178.2 | -54 | 0 | 0 | 0 | 0 | 112.6 | Q141 F143 | Q141-T145 WeakPolarHBondContact O-CB 3.36Å; Q141-T145 PolarHBondContact O-N 3Å; Q141-T145 PolarHBondContact O-OG1 3.48Å; F143-T145 VanDerWaalsContact C-N 3.29Å; F143-T145 PolarHBondContact O-N 3.01Å |
| 146 | A | 55.8 | Low | 53.7 | Low | 63 Ų | 63 | 119.6 Ų | 119.6 | 52% | 0.521 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -78.6 | -20.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F142 F143 | F142-A146 WeakPolarHBondContact O-CB 3.32Å; F142-A146 PolarHBondContact O-N 2.81Å; F143-A146 PolarHBondContact O-N 3.41Å |
| 147 | Y | 55.6 | Low | 51.7 | Low | 181 Ų | 181 | 123.1 Ų | 123.1 | 71% | 0.71 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -123.6 | 18.4 | -175.2 | -58.5 | -70.2 | 0 | 0 | 0 | 114 | F143 T149 | F143-Y147 HydrophobicContact CD1-CD2 4.48Å; F143-Y147 AromaticContact CD1-CE2 3.91Å; F143-Y147 HydrophobicContact CD1-CE2 3.91Å; F143-Y147 WeakPolarHBondContact O-CD2 3.18Å; F143-Y147 PolarHBondContact O-N 2.99Å; Y147-T149 PolarHBondContact O-N 3.48Å |
| 148 | G | 41.3 | Very low | 50.3 | Low | 50 Ų | 50 | 125.6 Ų | 125.6 | 52% | 0.515 | 70% | 0.7 | S | S | . | * | trans | -46.6 | 104.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E144 T150 | E144-G148 PolarHBondContact O-N 3.25Å; G148-T150 PolarHBondContact O-N 2.96Å | ||
| 149 | T | 37.9 | Very low | 49 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 68% | 0.675 | 71% | 0.708 | S | S | * | * | trans | 10.8 | 96.9 | 143.1 | -51.5 | 0 | 0 | 0 | 0 | 115.6 | Y147 E151 | Y147-T149 PolarHBondContact O-N 3.48Å; T149-E151 HydrophobicContact CG2-CG 3.6Å; T149-E151 PolarHBondContact O-N 2.85Å | ||
| 150 | T | 41.9 | Very low | 47.9 | Very low | 148 Ų | 148 | 128.3 Ų | 128.3 | 91% | 0.908 | 73% | 0.727 | S | S | * | * | trans | -95.7 | 70.3 | 166.3 | 38.7 | 0 | 0 | 0 | 0 | 109.4 | G148 | G148-T150 PolarHBondContact O-N 2.96Š| ||
| 151 | E | 47.7 | Very low | 46 | Very low | 148 Ų | 148 | 132.2 Ų | 132.2 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | trans | -145.7 | 70 | 170.2 | 58 | -157 | 148.1 | 0 | 0 | 110.5 | T149 | T149-E151 HydrophobicContact CG2-CG 3.6Å; T149-E151 PolarHBondContact O-N 2.85Å | ||
| 152 | N | 43.9 | Very low | 44.4 | Very low | 160 Ų | 160 | 135.1 Ų | 135.1 | 86% | 0.856 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 177.8 | 101.1 | 144.1 | -103.2 | -46.1 | 0 | 0 | 0 | 108.5 | ||
| 153 | L | 39.3 | Very low | 42.9 | Very low | 185 Ų | 185 | 134.3 Ų | 134.3 | 97% | 0.969 | 77% | 0.771 | S | S | * | * | trans | 164.3 | 69.9 | 152.2 | -86.8 | 156.1 | 0 | 0 | 0 | 107.8 | ||||
| 154 | A | 34.8 | Very low | 41.5 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 88% | 0.884 | 78% | 0.784 | S | S | * | * | trans | -143.1 | 70.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 155 | A | 38.2 | Very low | 40 | Very low | 104 Ų | 104 | 135 Ų | 135 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -142.3 | 88.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 156 | A | 37.2 | Very low | 38.3 | Very low | 87 Ų | 87 | 139.2 Ų | 139.2 | 72% | 0.719 | 80% | 0.803 | S | S | * | * | trans | -165.5 | 96.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 157 | D | 31.3 | Very low | 37.2 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | trans | 40.8 | 113.5 | 142.3 | -64.2 | -26.1 | 0 | 0 | 0 | 120.9 | ||||
| 158 | Y | 33.5 | Very low | 36.6 | Very low | 220 Ų | 220 | 137 Ų | 137 | 86% | 0.863 | 81% | 0.812 | S | S | * | * | trans | -144.8 | 108 | 140 | 51.3 | -87.5 | 0 | 0 | 0 | 110.1 | ||||
| 159 | A | 37.6 | Very low | 36.1 | Very low | 101 Ų | 101 | 139.2 Ų | 139.2 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | trans | -94.2 | 117.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 160 | V | 36.3 | Very low | 35.6 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 86% | 0.855 | 83% | 0.828 | S | S | * | * | trans | -138.5 | 125.7 | 165.5 | 177.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 161 | D | 30.9 | Very low | 35.1 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 83% | 0.834 | 83% | 0.828 | S | S | * | * | trans | -70.1 | 154.7 | -172.1 | -150.5 | -43.1 | 0 | 0 | 0 | 113.5 | ||||
| 162 | K | 35.8 | Very low | 34.2 | Very low | 201 Ų | 201 | 132.6 Ų | 132.6 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | trans | -121.4 | 117.6 | -177.2 | -100.6 | -169.2 | 177.2 | 179.9 | 0 | 110.5 | ||||
| 163 | S | 32.7 | Very low | 33.5 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | trans | -156.3 | 141.6 | 156.4 | 63.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 164 | G | 31.8 | Very low | 33.1 | Very low | 70 Ų | 70 | 126.6 Ų | 126.6 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | cis | 168.3 | 135.4 | 7.6 | 0 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 165 | E | 30.5 | Very low | 32.9 | Very low | 197 Ų | 197 | 126.3 Ų | 126.3 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | 27.7 | 132.6 | 160 | -62.4 | 176.1 | 117.7 | 0 | 0 | 122.1 | ||||
| 166 | K | 31.2 | Very low | 32.4 | Very low | 205 Ų | 205 | 125.3 Ų | 125.3 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | 153.5 | 112.3 | 114.9 | -168.1 | 165.5 | -174.5 | 175.6 | 0 | 112.6 | |||||
| 167 | A | 32.3 | Very low | 32.1 | Very low | 83 Ų | 83 | 127.1 Ų | 127.1 | 69% | 0.686 | 81% | 0.807 | S | S | * | * | trans | -84 | 172.1 | 153.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 168 | P | 43.3 | Very low | 32.1 | Very low | 114 Ų | 114 | 124 Ų | 124 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | cis | -153 | -172.5 | 36.3 | 40.4 | -16.8 | 0 | 0 | 0 | 117.5 | ||||
| 169 | A | 29.5 | Very low | 31.9 | Very low | 96 Ų | 96 | 118.4 Ų | 118.4 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | 74 | 151.3 | 146.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 170 | A | 28.2 | Very low | 31.8 | Very low | 89 Ų | 89 | 119.1 Ų | 119.1 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | cis | -176.5 | 167.1 | -14.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 171 | A | 30.7 | Very low | 31.6 | Very low | 109 Ų | 109 | 119.9 Ų | 119.9 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | trans | 67.9 | 146 | 163.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 172 | G | 29.1 | Very low | 31.7 | Very low | 70 Ų | 70 | 120.8 Ų | 120.8 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | cis | 162.8 | 138.4 | 6.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 173 | A | 30.1 | Very low | 31.5 | Very low | 88 Ų | 88 | 120.8 Ų | 120.8 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 18.5 | 135.5 | 149.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 174 | T | 30.8 | Very low | 31.4 | Very low | 131 Ų | 131 | 120.1 Ų | 120.1 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | 166.5 | 156 | 68.6 | 31.2 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 175 | A | 30.2 | Very low | 31.4 | Very low | 100 Ų | 100 | 122.1 Ų | 122.1 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | 61.6 | 159.3 | 143.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 176 | A | 27.8 | Very low | 32 | Very low | 84 Ų | 84 | 118.3 Ų | 118.3 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | cis | -178.5 | -177 | -22.7 | 0 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 177 | T | 29.9 | Very low | 32.9 | Very low | 125 Ų | 125 | 114.5 Ų | 114.5 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | trans | 98 | 94.1 | 167.4 | -41.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 178 | S | 31.4 | Very low | 33 | Very low | 99 Ų | 99 | 119.4 Ų | 119.4 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | 58.9 | 144.2 | 87.5 | 81.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 179 | S | 30.4 | Very low | 32.9 | Very low | 103 Ų | 103 | 119.6 Ų | 119.6 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | cis | 170.7 | 136.3 | 2.3 | 40.4 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 180 | S | 34.8 | Very low | 33.4 | Very low | 115 Ų | 115 | 120.5 Ų | 120.5 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 164.2 | 107.1 | 156.3 | 48 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 181 | E | 31.3 | Very low | 34.1 | Very low | 157 Ų | 157 | 121.9 Ų | 121.9 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | 68.7 | 110.9 | 86.7 | -73.2 | -150.6 | 107.2 | 0 | 0 | 117.4 | |||||
| 182 | K | 33.7 | Very low | 34.2 | Very low | 176 Ų | 176 | 120 Ų | 120 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | trans | 50.7 | 118.9 | 135.9 | -60.6 | 176.9 | -177.6 | 139.9 | 0 | 121.5 | ||||
| 183 | K | 32.1 | Very low | 34.7 | Very low | 200 Ų | 200 | 123.9 Ų | 123.9 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | 173.8 | 122.4 | 126 | -97.7 | 168.8 | 178 | -177.3 | 0 | 108.3 | |||||
| 184 | S | 29.7 | Very low | 35.1 | Very low | 112 Ų | 112 | 127 Ų | 127 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | 51.7 | 96.1 | 89.8 | 178.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 185 | S | 33 | Very low | 35.9 | Very low | 112 Ų | 112 | 129.7 Ų | 129.7 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | 175.4 | 137.7 | 126.9 | 52.5 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 186 | S | 43.5 | Very low | 36.5 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -52.7 | 155.7 | 169.1 | -56 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 187 | P | 49.3 | Very low | 37.3 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -112.4 | 135.9 | 144.5 | 30.4 | -19.3 | 0 | 0 | 0 | 111.3 | ||||
| 188 | E | 34.5 | Very low | 38 | Very low | 187 Ų | 187 | 136.7 Ų | 136.7 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -42.8 | 154.1 | 166.6 | -113.6 | 165.2 | 82.4 | 0 | 0 | 115 | ||||
| 189 | S | 40.2 | Very low | 38.2 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -40.3 | 131.3 | 163.8 | -59.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 190 | S | 40.2 | Very low | 39 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -135.4 | 100.2 | 154.2 | 174.1 | 0 | 0 | 0 | 0 | 108.2 | G192 | S190-G192 PolarHBondContact O-N 3.14Å; S190-G192 VanDerWaalsContact O-N 3.15Å | ||
| 191 | S | 43.9 | Very low | 39.4 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -61 | 103.3 | 162.3 | -79.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 192 | G | 32 | Very low | 40.3 | Very low | 68 Ų | 68 | 134.2 Ų | 134.2 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | -102.7 | 82.8 | 166 | 0 | 0 | 0 | 0 | 0 | 110 | S190 N194 | S190-G192 PolarHBondContact O-N 3.14Å; S190-G192 VanDerWaalsContact O-N 3.15Å; G192-N194 PolarHBondContact O-N 3.3Å | ||
| 193 | N | 40.6 | Very low | 40.9 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -64.5 | 118 | 161.2 | -78.3 | -12.3 | 0 | 0 | 0 | 107.7 | ||||
| 194 | N | 37.5 | Very low | 42.2 | Very low | 153 Ų | 153 | 127.5 Ų | 127.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -124.8 | 69.7 | 167.3 | -125.7 | -3.8 | 0 | 0 | 0 | 108 | G192 | G192-N194 PolarHBondContact O-N 3.3Š| ||
| 195 | E | 47.8 | Very low | 43.6 | Very low | 188 Ų | 188 | 134 Ų | 134 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -93.8 | 91.2 | 160.6 | -74 | -169.1 | 141.3 | 0 | 0 | 107.6 | ||||
| 196 | E | 42.7 | Very low | 45.2 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -133.9 | 117.1 | 162.9 | -74 | -150.5 | 119.3 | 0 | 0 | 111.7 | ||||
| 197 | K | 44.1 | Very low | 46.8 | Very low | 177 Ų | 177 | 138.8 Ų | 138.8 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | 77 | 97.6 | 133.6 | -138.5 | 107.1 | 176.9 | -169.3 | 0 | 118.2 | G199 | K197-G199 PolarHBondContact O-N 2.56Š| ||
| 198 | S | 45.1 | Very low | 48.4 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -2.5 | 101.7 | 131.1 | 44.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 199 | G | 36.6 | Very low | 50.8 | Low | 66 Ų | 66 | 142.4 Ų | 142.4 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | trans | -117 | 88.6 | 155 | 0 | 0 | 0 | 0 | 0 | 109 | K197 S201 | K197-G199 PolarHBondContact O-N 2.56Å; G199-S201 VanDerWaalsContact C-N 3.27Å; G199-S201 PolarHBondContact O-N 3Å | ||
| 200 | S | 47.1 | Very low | 53.2 | Low | 127 Ų | 127 | 146.9 Ų | 146.9 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -65.3 | 91.4 | 166.3 | -174.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 201 | S | 42 | Very low | 55.6 | Low | 103 Ų | 103 | 146.7 Ų | 146.7 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | -105.8 | 109.5 | 161.5 | 54.3 | 0 | 0 | 0 | 0 | 107.2 | G199 G203 | G199-S201 VanDerWaalsContact C-N 3.27Å; G199-S201 PolarHBondContact O-N 3Å; S201-G203 PolarHBondContact O-N 3.35Å | ||
| 202 | S | 51.2 | Low | 58.1 | Low | 126 Ų | 126 | 146.8 Ų | 146.8 | 88% | 0.881 | 79% | 0.79 | S | S | * | * | trans | -66.3 | 45.5 | 164 | 46.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 203 | G | 46.4 | Very low | 61.2 | Low | 49 Ų | 49 | 146.9 Ų | 146.9 | 51% | 0.505 | 77% | 0.77 | S | S | . | * | trans | -78.6 | 125.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | S201 R205 | S201-G203 PolarHBondContact O-N 3.35Å; G203-R205 PolarHBondContact O-N 2.96Å | ||
| 204 | Q | 58.3 | Low | 64 | Low | 186 Ų | 186 | 143.2 Ų | 143.2 | 87% | 0.869 | 75% | 0.753 | S | S | * | * | trans | -42.5 | 115.8 | 169.8 | -67.8 | -168.6 | -44.5 | 0 | 0 | 109.2 | T206 | Q204-T206 PolarHBondContact O-N 2.9Š| ||
| 205 | R | 60.8 | Low | 66.8 | Low | 248 Ų | 248 | 144.8 Ų | 144.8 | 94% | 0.936 | 75% | 0.753 | S | S | * | * | trans | -63.8 | 87.8 | 176.1 | -72.1 | 178.6 | 150.8 | -170.6 | -5.6 | 107.5 | G203 R207 | G203-R205 PolarHBondContact O-N 2.96Å; R205-R207 PolarHBondContact O-N 3.39Å | ||
| 206 | T | 65.1 | Low | 69.2 | Low | 131 Ų | 131 | 140.8 Ų | 140.8 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | -54.3 | 107.2 | 172.8 | 39 | 0 | 0 | 0 | 0 | 106.7 | Q204 K208 | Q204-T206 PolarHBondContact O-N 2.9Å; T206-K208 PolarHBondContact O-N 3.49Å | ||
| 207 | R | 77.9 | Confident | 71.9 | Confident | 198 Ų | 198 | 134.2 Ų | 134.2 | 75% | 0.747 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 117.3 | -176.1 | -173.3 | -179.4 | -173.6 | 178.2 | 5.6 | 107.3 | R205 K209 | R205-R207 PolarHBondContact O-N 3.39Å; R207-K209 PolarHBondContact O-N 3.39Å; R207-K209 VanDerWaalsContact O-N 3.08Å |
| 208 | K | 83 | Confident | 74.5 | Confident | 197 Ų | 197 | 128.5 Ų | 128.5 | 86% | 0.857 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 121.5 | 178.5 | -154.1 | 115.8 | 174 | 174.1 | 0 | 108.2 | T206 R210 | T206-K208 PolarHBondContact O-N 3.49Å; K208-R210 PolarHBondContact O-N 2.91Å |
| 209 | K | 85.1 | Confident | 77 | Confident | 190 Ų | 190 | 128.6 Ų | 128.6 | 83% | 0.826 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 134.7 | 179.3 | -68.9 | -77.5 | -175.7 | 173.2 | 0 | 108.1 | R207 C211 | R207-K209 PolarHBondContact O-N 3.39Å; R207-K209 VanDerWaalsContact O-N 3.08Å; K209-C211 PolarHBondContact O-N 3.38Å |
| 210 | R | 90.4 | Very high | 79.9 | Confident | 213 Ų | 213 | 126 Ų | 126 | 80% | 0.804 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 125 | -179.9 | -72.8 | -178.5 | 168 | -176.3 | -3.7 | 108.6 | K208 | K208-R210 PolarHBondContact O-N 2.91Š|
| 211 | C | 90.9 | Very high | 82.4 | Confident | 111 Ų | 111 | 120 Ų | 120 | 75% | 0.75 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 125.7 | 168.4 | -59.5 | 0 | 0 | 0 | 0 | 108.8 | K209 | K209-C211 PolarHBondContact O-N 3.38Š|
| 212 | P | 95.3 | Very high | 85.1 | Confident | 120 Ų | 120 | 119.4 Ų | 119.4 | 78% | 0.779 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 150.1 | 172.9 | 28.8 | -33.4 | 0 | 0 | 0 | 110.5 | ||
| 213 | Y | 97.7 | Very high | 87.3 | Confident | 69 Ų | 69 | 118.2 Ų | 118.2 | 27% | 0.271 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -71.7 | 144.4 | 172.9 | -60.5 | -46.6 | 0 | 0 | 0 | 110.6 | L245 W253 | Y213-L245 HydrophobicContact CD1-CD1 4.29Å; Y213-L245 HydrophobicContact CD1-CD2 3.87Å; Y213-L245 HydrophobicContact CE1-CD1 4.18Å; Y213-L245 HydrophobicContact CE1-CD2 3.68Å; Y213-W253 AromaticContact CD2-CD1 3.76Å; Y213-W253 AromaticContact CE2-CD1 3.61Å; Y213-W253 HydrophobicContact CE2-CG 4.49Å |
| 214 | T | 98.3 | Very high | 89.8 | Confident | 75 Ų | 75 | 118 Ų | 118 | 46% | 0.46 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 158.6 | 176.5 | 73.6 | 0 | 0 | 0 | 0 | 110.7 | Y216 Q217 I218 | T214-Y216 PolarHBondContact O-N 3.19Å; T214-Q217 PolarHBondContact O-N 3.1Å; T214-Q217 VanDerWaalsContact O-N 3.11Å; T214-Q217 VanDerWaalsContact OG1-CG 3.31Å; T214-Q217 WeakPolarHBondContact OG1-CG 3.47Å; T214-Q217 PolarHBondContact OG1-N 3.5Å; T214-I218 WeakPolarHBondContact O-CG1 3.38Å; T214-I218 PolarHBondContact O-N 2.97Å |
| 215 | K | 98.1 | Very high | 91.7 | Very high | 186 Ų | 186 | 109.6 Ų | 109.6 | 81% | 0.809 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -55.8 | -38.2 | 175.4 | -65.9 | -175.4 | 179.3 | -179.2 | 0 | 111.9 | R219 | K215-R219 WeakPolarHBondContact O-CB 3.39Å; K215-R219 PolarHBondContact O-N 2.96Å |
| 216 | Y | 98.1 | Very high | 93.4 | Very high | 104 Ų | 104 | 106.4 Ų | 106.4 | 41% | 0.408 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62 | -51 | 175.5 | 177 | -92.3 | 0 | 0 | 0 | 111.4 | T214 I218 R219 E220 L243 | T214-Y216 PolarHBondContact O-N 3.19Å; Y216-I218 VanDerWaalsContact C-N 3.3Å; Y216-I218 PolarHBondContact O-N 2.83Å; Y216-R219 PolarHBondContact O-N 3.25Å; Y216-E220 HydrophobicContact CD1-CG 4.2Å; Y216-E220 HydrophobicContact CD2-CG 4.48Å; Y216-E220 HydrophobicContact CE1-CG 3.8Å; Y216-E220 HydrophobicContact CE2-CG 4.05Å; Y216-E220 WeakPolarHBondContact O-CG 3.41Å; Y216-E220 PolarHBondContact O-N 3.48Å; Y216-E220 VanDerWaalsContact O-N 3.11Å; Y216-L243 HydrophobicContact CD1-CD2 4.09Å; Y216-L243 HydrophobicContact CE1-CD2 3.61Å |
| 217 | Q | 98.3 | Very high | 94.9 | Very high | 28 Ų | 28 | 107 Ų | 107 | 13% | 0.131 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -56.7 | -44.7 | 179 | -70.5 | 171.7 | -29.9 | 0 | 0 | 112.1 | T214 L221 L243 | T214-Q217 PolarHBondContact O-N 3.1Å; T214-Q217 VanDerWaalsContact O-N 3.11Å; T214-Q217 VanDerWaalsContact OG1-CG 3.31Å; T214-Q217 WeakPolarHBondContact OG1-CG 3.47Å; T214-Q217 PolarHBondContact OG1-N 3.5Å; Q217-L221 WeakPolarHBondContact O-CB 3.36Å; Q217-L221 VanDerWaalsContact O-CD1 3.32Å; Q217-L221 WeakPolarHBondContact O-CD1 3.22Å; Q217-L221 WeakPolarHBondContact O-CG 3.27Å; Q217-L221 PolarHBondContact O-N 3.23Å; Q217-L221 VanDerWaalsContact O-N 3.15Å; Q217-L243 HydrophobicContact CG-CB 4.22Å; Q217-L243 PolarHBondContact NE2-O 3.38Å |
| 218 | I | 98.2 | Very high | 95.8 | Very high | 57 Ų | 57 | 100.4 Ų | 100.4 | 29% | 0.292 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.4 | -48 | 179.6 | -64.1 | 166.2 | 0 | 0 | 0 | 110.8 | T214 Y216 E220 L221 E222 | T214-I218 WeakPolarHBondContact O-CG1 3.38Å; T214-I218 PolarHBondContact O-N 2.97Å; Y216-I218 VanDerWaalsContact C-N 3.3Å; Y216-I218 PolarHBondContact O-N 2.83Å; I218-E220 PolarHBondContact O-N 3.1Å; I218-L221 PolarHBondContact O-N 3.08Å; I218-E222 HydrophobicContact CG2-CG 4.2Å; I218-E222 WeakPolarHBondContact O-CB 3.38Å; I218-E222 WeakPolarHBondContact O-CG 3.4Å; I218-E222 PolarHBondContact O-N 3.34Å |
| 219 | R | 98.4 | Very high | 96.5 | Very high | 116 Ų | 116 | 93.7 Ų | 93.7 | 44% | 0.438 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.7 | -43.2 | -178.1 | -167.3 | -145.5 | -43.3 | 99.3 | 2.6 | 112.6 | K215 Y216 E222 R223 | K215-R219 WeakPolarHBondContact O-CB 3.39Å; K215-R219 PolarHBondContact O-N 2.96Å; Y216-R219 PolarHBondContact O-N 3.25Å; R219-E222 PolarHBondContact O-N 3.28Å; R219-R223 WeakPolarHBondContact O-CB 3.36Å; R219-R223 PolarHBondContact O-N 3.02Å |
| 220 | E | 98.3 | Very high | 97.1 | Very high | 13 Ų | 13 | 92.1 Ų | 92.1 | 6% | 0.061 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 177.9 | -60 | -57.6 | 114.6 | 0 | 0 | 111.4 | Y216 I218 R223 E224 M242 L243 | Y216-E220 HydrophobicContact CD1-CG 4.2Å; Y216-E220 HydrophobicContact CD2-CG 4.48Å; Y216-E220 HydrophobicContact CE1-CG 3.8Å; Y216-E220 HydrophobicContact CE2-CG 4.05Å; Y216-E220 WeakPolarHBondContact O-CG 3.41Å; Y216-E220 PolarHBondContact O-N 3.48Å; Y216-E220 VanDerWaalsContact O-N 3.11Å; I218-E220 PolarHBondContact O-N 3.1Å; E220-R223 PolarHBondContact O-N 3.42Å; E220-R223 IonicContact OE1-CZ 3.28Å; E220-R223 IonicContact OE1-NH1 2.62Å; E220-R223 IonicContact OE1-NH2 3.1Å; E220-R223 PolarHBondContact OE1-NH2 2.89Å; E220-R223 IonicContact OE2-CZ 3.81Å; E220-R223 VanDerWaalsContact OE2-CZ 3.28Å; E220-R223 IonicContact OE2-NH1 2.63Å; E220-R223 PolarHBondContact OE2-NH1 3.22Å; E220-R223 IonicContact OE2-NH2 3.46Å; E220-R223 PolarHBondContact OE2-NH2 3.3Å; E220-R223 VanDerWaalsContact OE2-NH2 3.1Å; E220-E224 PolarHBondContact O-N 3.32Å; E220-E224 VanDerWaalsContact O-N 3.14Å; E220-M242 HydrophobicContact CB-CE 4.11Å; E220-M242 HydrophobicContact CG-CE 4.05Å; E220-M242 WeakPolarHBondContact OE2-CE 3.5Å; E220-L243 HydrophobicContact CB-CD1 4.08Å; E220-L243 HydrophobicContact CB-CD2 3.66Å; E220-L243 HydrophobicContact CB-CG 4.44Å; E220-L243 HydrophobicContact CG-CD2 3.63Å |
| 221 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 83.2 Ų | 83.2 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 176.4 | -69.5 | 165.1 | 0 | 0 | 0 | 112 | Q217 I218 F225 L239 L243 L245 V250 W253 F254 | Q217-L221 WeakPolarHBondContact O-CB 3.36Å; Q217-L221 VanDerWaalsContact O-CD1 3.32Å; Q217-L221 WeakPolarHBondContact O-CD1 3.22Å; Q217-L221 WeakPolarHBondContact O-CG 3.27Å; Q217-L221 PolarHBondContact O-N 3.23Å; Q217-L221 VanDerWaalsContact O-N 3.15Å; I218-L221 PolarHBondContact O-N 3.08Å; L221-F225 WeakPolarHBondContact O-CB 3.35Å; L221-F225 PolarHBondContact O-N 3.37Å; L221-L239 HydrophobicContact CD2-CD1 4.14Å; L221-L243 HydrophobicContact CD1-CD1 4.25Å; L221-L243 HydrophobicContact CD2-CD1 3.87Å; L221-L243 HydrophobicContact CG-CD1 3.66Å; L221-L245 HydrophobicContact CD1-CD1 4.18Å; L221-V250 HydrophobicContact CD2-CG1 4.04Å; L221-W253 HydrophobicContact CB-CD2 3.85Å; L221-W253 HydrophobicContact CB-CE3 3.81Å; L221-W253 HydrophobicContact CB-CH2 3.62Å; L221-W253 HydrophobicContact CB-CZ2 3.63Å; L221-W253 HydrophobicContact CB-CZ3 3.7Å; L221-W253 HydrophobicContact CD1-CB 4.42Å; L221-W253 HydrophobicContact CD1-CD2 3.8Å; L221-W253 HydrophobicContact CD1-CE3 4.44Å; L221-W253 HydrophobicContact CD1-CG 3.75Å; L221-W253 HydrophobicContact CD2-CD2 4.4Å; L221-W253 HydrophobicContact CD2-CE3 4.29Å; L221-W253 HydrophobicContact CG-CD2 4.23Å; L221-W253 HydrophobicContact CG-CE3 4.4Å; L221-F254 HydrophobicContact CD2-CE2 4.07Å |
| 222 | E | 98.3 | Very high | 97.8 | Very high | 91 Ų | 91 | 82 Ų | 82 | 43% | 0.425 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.8 | -40.6 | 175.7 | -74.8 | 179.9 | 164.1 | 0 | 0 | 112.2 | I218 R219 E224 F225 F226 W253 | I218-E222 HydrophobicContact CG2-CG 4.2Å; I218-E222 WeakPolarHBondContact O-CB 3.38Å; I218-E222 WeakPolarHBondContact O-CG 3.4Å; I218-E222 PolarHBondContact O-N 3.34Å; R219-E222 PolarHBondContact O-N 3.28Å; E222-E224 VanDerWaalsContact C-N 3.35Å; E222-E224 PolarHBondContact O-N 3.41Å; E222-F225 WeakPolarHBondContact O-CB 3.4Å; E222-F225 PolarHBondContact O-N 2.87Å; E222-F226 PolarHBondContact O-N 3.42Å; E222-W253 HydrophobicContact CG-CH2 3.85Å; E222-W253 HydrophobicContact CG-CZ2 3.88Å |
| 223 | R | 98.1 | Very high | 97.9 | Very high | 101 Ų | 101 | 83.9 Ų | 83.9 | 38% | 0.381 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.1 | -47.8 | 175.8 | -164.1 | -157.5 | -59 | 104 | -2.2 | 111.1 | R219 E220 F225 F226 F227 | R219-R223 WeakPolarHBondContact O-CB 3.36Å; R219-R223 PolarHBondContact O-N 3.02Å; E220-R223 PolarHBondContact O-N 3.42Å; E220-R223 IonicContact OE1-CZ 3.28Å; E220-R223 IonicContact OE1-NH1 2.62Å; E220-R223 IonicContact OE1-NH2 3.1Å; E220-R223 PolarHBondContact OE1-NH2 2.89Å; E220-R223 IonicContact OE2-CZ 3.81Å; E220-R223 VanDerWaalsContact OE2-CZ 3.28Å; E220-R223 IonicContact OE2-NH1 2.63Å; E220-R223 PolarHBondContact OE2-NH1 3.22Å; E220-R223 IonicContact OE2-NH2 3.46Å; E220-R223 PolarHBondContact OE2-NH2 3.3Å; E220-R223 VanDerWaalsContact OE2-NH2 3.1Å; R223-F225 VanDerWaalsContact C-N 3.33Å; R223-F225 PolarHBondContact O-N 3.03Å; R223-F226 WeakPolarHBondContact O-CB 3.45Å; R223-F226 PolarHBondContact O-N 3.36Å; R223-F227 HydrophobicContact CG-CD2 4.32Å; R223-F227 HydrophobicContact CG-CE2 3.72Å; R223-F227 WeakPolarHBondContact O-CD2 3.21Å; R223-F227 PolarHBondContact O-N 2.88Å |
| 224 | E | 98.1 | Very high | 97.9 | Very high | 45 Ų | 45 | 87.8 Ų | 87.8 | 21% | 0.21 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.7 | -34.5 | 178 | -71.9 | -66.9 | 172.5 | 0 | 0 | 112.6 | E220 E222 F226 F227 S228 L239 F254 | E220-E224 PolarHBondContact O-N 3.32Å; E220-E224 VanDerWaalsContact O-N 3.14Å; E222-E224 VanDerWaalsContact C-N 3.35Å; E222-E224 PolarHBondContact O-N 3.41Å; E224-F226 VanDerWaalsContact C-N 3.26Å; E224-F226 PolarHBondContact O-N 2.89Å; E224-F227 PolarHBondContact O-N 3.26Å; E224-S228 PolarHBondContact O-N 2.96Å; E224-L239 HydrophobicContact CB-CD1 3.99Å; E224-L239 HydrophobicContact CG-CD1 3.83Å; E224-L239 HydrophobicContact CG-CD2 3.96Å; E224-L239 HydrophobicContact CG-CG 4.29Å; E224-F254 HydrophobicContact CB-CZ 4.22Å |
| 225 | F | 97.9 | Very high | 97.9 | Very high | 9 Ų | 9 | 88.1 Ų | 88.1 | 4% | 0.039 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.7 | -34.7 | 174.3 | -173 | -94.4 | 0 | 0 | 0 | 112.6 | L221 E222 R223 S228 V229 W253 F254 R257 R258 E261 | L221-F225 WeakPolarHBondContact O-CB 3.35Å; L221-F225 PolarHBondContact O-N 3.37Å; E222-F225 WeakPolarHBondContact O-CB 3.4Å; E222-F225 PolarHBondContact O-N 2.87Å; R223-F225 VanDerWaalsContact C-N 3.33Å; R223-F225 PolarHBondContact O-N 3.03Å; F225-S228 CarbonylContact O-C 3.23Å; F225-S228 VanDerWaalsContact O-C 3.23Å; F225-V229 HydrophobicContact CE1-CG2 4.46Å; F225-V229 HydrophobicContact CE2-CB 4.29Å; F225-V229 HydrophobicContact CE2-CG1 3.89Å; F225-V229 WeakPolarHBondContact CE2-O 3.42Å; F225-V229 HydrophobicContact CZ-CB 4.31Å; F225-V229 HydrophobicContact CZ-CG1 3.83Å; F225-V229 HydrophobicContact CZ-CG2 4.23Å; F225-V229 PolarHBondContact O-N 3.48Å; F225-W253 HydrophobicContact CB-CH2 4.33Å; F225-W253 HydrophobicContact CB-CZ3 4.11Å; F225-W253 HydrophobicContact CD2-CZ3 4.41Å; F225-W253 HydrophobicContact CG-CZ3 4.47Å; F225-F254 HydrophobicContact CB-CE1 4.24Å; F225-F254 AromaticContact CD2-CD1 3.88Å; F225-F254 HydrophobicContact CD2-CD1 3.88Å; F225-F254 AromaticContact CD2-CE1 3.89Å; F225-F254 HydrophobicContact CD2-CE1 3.89Å; F225-R257 HydrophobicContact CD1-CG 3.86Å; F225-R257 HydrophobicContact CD2-CB 4.23Å; F225-R257 HydrophobicContact CD2-CG 3.61Å; F225-R257 HydrophobicContact CE1-CG 3.88Å; F225-R257 HydrophobicContact CE2-CB 4.16Å; F225-R257 HydrophobicContact CE2-CG 3.64Å; F225-R257 HydrophobicContact CG-CG 3.72Å; F225-R257 HydrophobicContact CZ-CG 3.77Å; F225-R258 HydrophobicContact CE2-CG 3.74Å; F225-R258 HydrophobicContact CZ-CG 4.12Å; F225-E261 VanDerWaalsContact CE1-OE2 3.28Å; F225-E261 WeakPolarHBondContact CE1-OE2 3.12Å; F225-E261 VanDerWaalsContact CZ-OE2 3.26Å; F225-E261 WeakPolarHBondContact CZ-OE2 3.17Å |
| 226 | F | 97.1 | Very high | 97.9 | Very high | 180 Ų | 180 | 81.5 Ų | 81.5 | 79% | 0.789 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65.4 | -40 | 174.3 | -178 | -92.9 | 0 | 0 | 0 | 112 | E222 R223 E224 | E222-F226 PolarHBondContact O-N 3.42Å; R223-F226 WeakPolarHBondContact O-CB 3.45Å; R223-F226 PolarHBondContact O-N 3.36Å; E224-F226 VanDerWaalsContact C-N 3.26Å; E224-F226 PolarHBondContact O-N 2.89Å |
| 227 | F | 97 | Very high | 97.9 | Very high | 145 Ų | 145 | 79.3 Ų | 79.3 | 64% | 0.636 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -70.5 | -40.9 | 175.2 | -69.5 | -64.6 | 0 | 0 | 0 | 112.6 | R223 E224 | R223-F227 HydrophobicContact CG-CD2 4.32Å; R223-F227 HydrophobicContact CG-CE2 3.72Å; R223-F227 WeakPolarHBondContact O-CD2 3.21Å; R223-F227 PolarHBondContact O-N 2.88Å; E224-F227 PolarHBondContact O-N 3.26Å |
| 228 | S | 96.7 | Very high | 97.9 | Very high | 58 Ų | 58 | 82.6 Ų | 82.6 | 41% | 0.406 | 38% | 0.377 | S | S | . | . | trans | -149.1 | 120.3 | 176 | -174.6 | 0 | 0 | 0 | 0 | 112 | E224 F225 Y230 | E224-S228 PolarHBondContact O-N 2.96Å; F225-S228 CarbonylContact O-C 3.23Å; F225-S228 VanDerWaalsContact O-C 3.23Å; S228-Y230 PolarHBondContact O-N 2.93Å; S228-Y230 VanDerWaalsContact O-N 3.11Å; S228-Y230 PolarHBondContact OG-N 3.39Å; S228-Y230 PolarHBondContact OG-O 3.16Å | ||
| 229 | V | 97.2 | Very high | 97.9 | Very high | 57 Ų | 57 | 80 Ų | 80 | 35% | 0.345 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -59.4 | -24.9 | 175 | 176.1 | 0 | 0 | 0 | 0 | 112 | F225 R258 | F225-V229 HydrophobicContact CE1-CG2 4.46Å; F225-V229 HydrophobicContact CE2-CB 4.29Å; F225-V229 HydrophobicContact CE2-CG1 3.89Å; F225-V229 WeakPolarHBondContact CE2-O 3.42Å; F225-V229 HydrophobicContact CZ-CB 4.31Å; F225-V229 HydrophobicContact CZ-CG1 3.83Å; F225-V229 HydrophobicContact CZ-CG2 4.23Å; F225-V229 PolarHBondContact O-N 3.48Å; V229-R258 HydrophobicContact CG1-CG 3.79Å |
| 230 | Y | 97.8 | Very high | 97.9 | Very high | 157 Ų | 157 | 75.6 Ų | 75.6 | 62% | 0.616 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -119.2 | 125.2 | 177.9 | -65.2 | -96.4 | 0 | 0 | 0 | 110.9 | S228 | S228-Y230 PolarHBondContact O-N 2.93Å; S228-Y230 VanDerWaalsContact O-N 3.11Å; S228-Y230 PolarHBondContact OG-N 3.39Å; S228-Y230 PolarHBondContact OG-O 3.16Å |
| 231 | I | 97.6 | Very high | 97.9 | Very high | 25 Ų | 25 | 83.7 Ų | 83.7 | 13% | 0.128 | 38% | 0.381 | C | S | . | . | trans | -92 | 126.7 | -180 | -162.7 | 167.8 | 0 | 0 | 0 | 112.1 | K235 R236 L239 V250 F254 | I231-K235 HydrophobicContact CD1-CB 4.17Å; I231-K235 HydrophobicContact CG1-CB 3.85Å; I231-R236 HydrophobicContact CD1-CB 4.03Å; I231-R236 HydrophobicContact CG1-CB 4.14Å; I231-R236 HydrophobicContact CG2-CB 4.3Å; I231-R236 HydrophobicContact CG2-CG 4.43Å; I231-R236 PolarHBondContact O-NH2 3.23Å; I231-L239 HydrophobicContact CD1-CD1 3.44Å; I231-L239 VanDerWaalsContact CD1-CD1 3.44Å; I231-L239 HydrophobicContact CD1-CG 4.37Å; I231-V250 HydrophobicContact CD1-CG1 4.1Å; I231-F254 HydrophobicContact CB-CD1 3.92Å; I231-F254 HydrophobicContact CB-CD2 4.26Å; I231-F254 HydrophobicContact CB-CE1 3.76Å; I231-F254 HydrophobicContact CB-CE2 4.12Å; I231-F254 HydrophobicContact CB-CG 4.17Å; I231-F254 HydrophobicContact CB-CZ 3.87Å; I231-F254 HydrophobicContact CD1-CD2 4.31Å; I231-F254 HydrophobicContact CD1-CE1 4.5Å; I231-F254 HydrophobicContact CD1-CE2 3.62Å; I231-F254 HydrophobicContact CD1-CZ 3.74Å; I231-F254 HydrophobicContact CG1-CE2 4.45Å; I231-F254 HydrophobicContact CG1-CZ 4.26Å; I231-F254 HydrophobicContact CG2-CB 4.33Å; I231-F254 HydrophobicContact CG2-CD1 4.02Å; I231-F254 HydrophobicContact CG2-CD2 3.9Å; I231-F254 HydrophobicContact CG2-CE1 4.32Å; I231-F254 HydrophobicContact CG2-CE2 4.21Å; I231-F254 HydrophobicContact CG2-CG 3.8Å; I231-F254 HydrophobicContact CG2-CZ 4.42Å | ||
| 232 | N | 97.8 | Very high | 97.9 | Very high | 85 Ų | 85 | 87.5 Ų | 87.5 | 46% | 0.455 | 40% | 0.399 | S | S | . | . | trans | -71 | 169.7 | 173.1 | 72.5 | 18.3 | 0 | 0 | 0 | 111.3 | E234 K235 R236 | N232-E234 PolarHBondContact OD1-N 2.79Å; N232-K235 WeakPolarHBondContact OD1-CB 3.29Å; N232-K235 VanDerWaalsContact OD1-CG 3.23Å; N232-K235 WeakPolarHBondContact OD1-CG 3.24Å; N232-K235 PolarHBondContact OD1-N 3.43Å; N232-R236 VanDerWaalsContact O-CB 3.27Å; N232-R236 WeakPolarHBondContact O-CB 3.49Å; N232-R236 PolarHBondContact O-N 3.2Å; N232-R236 VanDerWaalsContact O-N 3.16Å | ||
| 233 | K | 97.9 | Very high | 97.9 | Very high | 161 Ų | 161 | 83.3 Ų | 83.3 | 70% | 0.7 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.6 | -46 | -177.4 | -176.3 | 179 | 177.2 | -175 | 0 | 111.7 | R236 L237 | K233-R236 WeakPolarHBondContact O-CB 3.49Å; K233-R236 PolarHBondContact O-N 2.89Å; K233-L237 HydrophobicContact CG-CD1 3.84Å; K233-L237 WeakPolarHBondContact O-CD1 3.11Å; K233-L237 PolarHBondContact O-N 3.49Å |
| 234 | E | 98 | Very high | 97.8 | Very high | 151 Ų | 151 | 85.5 Ų | 85.5 | 71% | 0.706 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63 | -52.3 | -175.9 | -175.5 | -179.2 | -175 | 0 | 0 | 112.8 | N232 R236 L237 Q238 | N232-E234 PolarHBondContact OD1-N 2.79Å; E234-R236 PolarHBondContact O-N 3.36Å; E234-L237 PolarHBondContact O-N 3.49Å; E234-L237 VanDerWaalsContact O-N 3.12Å; E234-Q238 PolarHBondContact O-N 2.91Å |
| 235 | K | 97.8 | Very high | 97.8 | Very high | 81 Ų | 81 | 84 Ų | 84 | 35% | 0.352 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.4 | -35.3 | 176.8 | -68.3 | -68.4 | -177.8 | 179.7 | 0 | 111.9 | I231 N232 Q238 L239 | I231-K235 HydrophobicContact CD1-CB 4.17Å; I231-K235 HydrophobicContact CG1-CB 3.85Å; N232-K235 WeakPolarHBondContact OD1-CB 3.29Å; N232-K235 VanDerWaalsContact OD1-CG 3.23Å; N232-K235 WeakPolarHBondContact OD1-CG 3.24Å; N232-K235 PolarHBondContact OD1-N 3.43Å; K235-Q238 WeakPolarHBondContact O-CB 3.24Å; K235-Q238 PolarHBondContact O-N 3.11Å; K235-L239 PolarHBondContact O-N 3.26Å |
| 236 | R | 98.4 | Very high | 97.8 | Very high | 47 Ų | 47 | 87.2 Ų | 87.2 | 18% | 0.177 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 174.7 | -168.7 | -172.3 | -56.7 | 147 | 13.7 | 111.8 | I231 N232 K233 E234 Q238 L239 S240 D247 V250 | I231-R236 HydrophobicContact CD1-CB 4.03Å; I231-R236 HydrophobicContact CG1-CB 4.14Å; I231-R236 HydrophobicContact CG2-CB 4.3Å; I231-R236 HydrophobicContact CG2-CG 4.43Å; I231-R236 PolarHBondContact O-NH2 3.23Å; N232-R236 VanDerWaalsContact O-CB 3.27Å; N232-R236 WeakPolarHBondContact O-CB 3.49Å; N232-R236 PolarHBondContact O-N 3.2Å; N232-R236 VanDerWaalsContact O-N 3.16Å; K233-R236 WeakPolarHBondContact O-CB 3.49Å; K233-R236 PolarHBondContact O-N 2.89Å; E234-R236 PolarHBondContact O-N 3.36Å; R236-Q238 VanDerWaalsContact C-N 3.34Å; R236-L239 PolarHBondContact O-N 3.4Å; R236-S240 VanDerWaalsContact O-CB 3.24Å; R236-S240 WeakPolarHBondContact O-CB 3.06Å; R236-S240 PolarHBondContact O-N 3.03Å; R236-D247 VanDerWaalsContact CD-CG 3.41Å; R236-D247 WeakPolarHBondContact CD-OD1 3.4Å; R236-D247 WeakPolarHBondContact CD-OD2 3.41Å; R236-D247 WeakPolarHBondContact CG-OD2 3.24Å; R236-D247 IonicContact NH1-OD1 3.7Å; R236-V250 HydrophobicContact CG-CB 3.92Å; R236-V250 HydrophobicContact CG-CG1 3.77Å |
| 237 | L | 98.4 | Very high | 97.9 | Very high | 58 Ų | 58 | 81.3 Ų | 81.3 | 30% | 0.304 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 174.1 | -89 | 87.8 | 0 | 0 | 0 | 111.7 | K233 E234 S240 R241 | K233-L237 HydrophobicContact CG-CD1 3.84Å; K233-L237 WeakPolarHBondContact O-CD1 3.11Å; K233-L237 PolarHBondContact O-N 3.49Å; E234-L237 PolarHBondContact O-N 3.49Å; E234-L237 VanDerWaalsContact O-N 3.12Å; L237-S240 WeakPolarHBondContact O-CB 3.4Å; L237-S240 PolarHBondContact O-N 3.46Å; L237-R241 WeakPolarHBondContact O-CG 3.34Å; L237-R241 PolarHBondContact O-N 3.22Å; L237-R241 VanDerWaalsContact O-N 3.1Å |
| 238 | Q | 98.3 | Very high | 97.9 | Very high | 97 Ų | 97 | 82.9 Ų | 82.9 | 45% | 0.453 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.1 | -49.8 | 176.7 | -172.5 | 179.3 | 4.4 | 0 | 0 | 111.5 | E234 K235 R236 R241 M242 | E234-Q238 PolarHBondContact O-N 2.91Å; K235-Q238 WeakPolarHBondContact O-CB 3.24Å; K235-Q238 PolarHBondContact O-N 3.11Å; R236-Q238 VanDerWaalsContact C-N 3.34Å; Q238-R241 PolarHBondContact O-N 3.39Å; Q238-M242 WeakPolarHBondContact O-CB 3.36Å; Q238-M242 PolarHBondContact O-N 2.86Å |
| 239 | L | 98.1 | Very high | 97.9 | Very high | 4 Ų | 4 | 83.3 Ų | 83.3 | 2% | 0.021 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.2 | -39.4 | 177 | -72.7 | -179.2 | 0 | 0 | 0 | 112.7 | L221 E224 I231 K235 R236 R241 M242 L243 V250 F254 | L221-L239 HydrophobicContact CD2-CD1 4.14Å; E224-L239 HydrophobicContact CB-CD1 3.99Å; E224-L239 HydrophobicContact CG-CD1 3.83Å; E224-L239 HydrophobicContact CG-CD2 3.96Å; E224-L239 HydrophobicContact CG-CG 4.29Å; I231-L239 HydrophobicContact CD1-CD1 3.44Å; I231-L239 VanDerWaalsContact CD1-CD1 3.44Å; I231-L239 HydrophobicContact CD1-CG 4.37Å; K235-L239 PolarHBondContact O-N 3.26Å; R236-L239 PolarHBondContact O-N 3.4Å; L239-R241 VanDerWaalsContact C-N 3.3Å; L239-R241 PolarHBondContact O-N 3.49Å; L239-M242 HydrophobicContact CD2-CE 3.73Å; L239-M242 PolarHBondContact O-N 3.41Å; L239-L243 HydrophobicContact CB-CD1 4.47Å; L239-L243 HydrophobicContact CD2-CD1 4.36Å; L239-L243 WeakPolarHBondContact O-CB 3.4Å; L239-L243 VanDerWaalsContact O-CG 3.27Å; L239-L243 WeakPolarHBondContact O-CG 3.2Å; L239-L243 PolarHBondContact O-N 3.34Å; L239-V250 HydrophobicContact CB-CG1 4.35Å; L239-V250 HydrophobicContact CD1-CG1 4.36Å; L239-F254 HydrophobicContact CD1-CE2 4.22Å |
| 240 | S | 98.4 | Very high | 98 | Very high | 23 Ų | 23 | 80.6 Ų | 80.6 | 16% | 0.161 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -54.4 | -48.7 | 176 | 170 | 0 | 0 | 0 | 0 | 110.9 | R236 L237 N244 L245 D247 | R236-S240 VanDerWaalsContact O-CB 3.24Å; R236-S240 WeakPolarHBondContact O-CB 3.06Å; R236-S240 PolarHBondContact O-N 3.03Å; L237-S240 WeakPolarHBondContact O-CB 3.4Å; L237-S240 PolarHBondContact O-N 3.46Å; S240-N244 PolarHBondContact O-N 3.3Å; S240-L245 CarbonylContact C-O 3.37Å; S240-L245 VanDerWaalsContact CA-O 3.24Å; S240-L245 WeakPolarHBondContact CA-O 3.26Å; S240-L245 VanDerWaalsContact CB-O 3.29Å; S240-L245 WeakPolarHBondContact CB-O 3.42Å; S240-L245 PolarHBondContact O-N 3.47Å; S240-L245 PolarHBondContact OG-O 2.9Å; S240-D247 PolarHBondContact OG-N 3.21Å |
| 241 | R | 98.3 | Very high | 98 | Very high | 183 Ų | 183 | 78.7 Ų | 78.7 | 69% | 0.691 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -67 | -49.1 | 177.5 | -66.9 | 170.8 | -177.2 | 157.8 | -0.8 | 112 | L237 Q238 L239 L243 N244 | L237-R241 WeakPolarHBondContact O-CG 3.34Å; L237-R241 PolarHBondContact O-N 3.22Å; L237-R241 VanDerWaalsContact O-N 3.1Å; Q238-R241 PolarHBondContact O-N 3.39Å; L239-R241 VanDerWaalsContact C-N 3.3Å; L239-R241 PolarHBondContact O-N 3.49Å; R241-L243 VanDerWaalsContact C-N 3.3Å; R241-L243 PolarHBondContact O-N 2.89Å; R241-N244 PolarHBondContact O-N 3.11Å |
| 242 | M | 98 | Very high | 98 | Very high | 79 Ų | 79 | 79.8 Ų | 79.8 | 39% | 0.389 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.1 | -32.4 | -175.7 | -170.2 | 178 | 77.5 | 0 | 0 | 113.3 | E220 Q238 L239 | E220-M242 HydrophobicContact CB-CE 4.11Å; E220-M242 HydrophobicContact CG-CE 4.05Å; E220-M242 WeakPolarHBondContact OE2-CE 3.5Å; Q238-M242 WeakPolarHBondContact O-CB 3.36Å; Q238-M242 PolarHBondContact O-N 2.86Å; L239-M242 HydrophobicContact CD2-CE 3.73Å; L239-M242 PolarHBondContact O-N 3.41Å |
| 243 | L | 97.9 | Very high | 98.1 | Very high | 4 Ų | 4 | 77 Ų | 77 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -100.1 | -1.5 | -175.7 | -57.6 | -174.5 | 0 | 0 | 0 | 113.7 | Y216 Q217 E220 L221 L239 R241 L245 | Y216-L243 HydrophobicContact CD1-CD2 4.09Å; Y216-L243 HydrophobicContact CE1-CD2 3.61Å; Q217-L243 HydrophobicContact CG-CB 4.22Å; Q217-L243 PolarHBondContact NE2-O 3.38Å; E220-L243 HydrophobicContact CB-CD1 4.08Å; E220-L243 HydrophobicContact CB-CD2 3.66Å; E220-L243 HydrophobicContact CB-CG 4.44Å; E220-L243 HydrophobicContact CG-CD2 3.63Å; L221-L243 HydrophobicContact CD1-CD1 4.25Å; L221-L243 HydrophobicContact CD2-CD1 3.87Å; L221-L243 HydrophobicContact CG-CD1 3.66Å; L239-L243 HydrophobicContact CB-CD1 4.47Å; L239-L243 HydrophobicContact CD2-CD1 4.36Å; L239-L243 WeakPolarHBondContact O-CB 3.4Å; L239-L243 VanDerWaalsContact O-CG 3.27Å; L239-L243 WeakPolarHBondContact O-CG 3.2Å; L239-L243 PolarHBondContact O-N 3.34Å; R241-L243 VanDerWaalsContact C-N 3.3Å; R241-L243 PolarHBondContact O-N 2.89Å; L243-L245 HydrophobicContact CB-CB 4.5Å; L243-L245 HydrophobicContact CB-CD1 4.07Å; L243-L245 HydrophobicContact CB-CG 3.98Å; L243-L245 HydrophobicContact CD1-CD1 4.34Å; L243-L245 PolarHBondContact O-N 2.9Å |
| 244 | N | 98 | Very high | 98.1 | Very high | 147 Ų | 147 | 69.6 Ų | 69.6 | 79% | 0.786 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 43.6 | -170.9 | -61.6 | -62.1 | 0 | 0 | 0 | 112.3 | S240 R241 | S240-N244 PolarHBondContact O-N 3.3Å; R241-N244 PolarHBondContact O-N 3.11Å |
| 245 | L | 97.4 | Very high | 98.1 | Very high | 13 Ų | 13 | 67.2 Ų | 67.2 | 7% | 0.068 | 31% | 0.311 | C | S | . | . | trans | -113.9 | 151.6 | 175.3 | -64.9 | -179.7 | 0 | 0 | 0 | 109.1 | Y213 L221 S240 L243 Q249 V250 | Y213-L245 HydrophobicContact CD1-CD1 4.29Å; Y213-L245 HydrophobicContact CD1-CD2 3.87Å; Y213-L245 HydrophobicContact CE1-CD1 4.18Å; Y213-L245 HydrophobicContact CE1-CD2 3.68Å; L221-L245 HydrophobicContact CD1-CD1 4.18Å; S240-L245 CarbonylContact C-O 3.37Å; S240-L245 VanDerWaalsContact CA-O 3.24Å; S240-L245 WeakPolarHBondContact CA-O 3.26Å; S240-L245 VanDerWaalsContact CB-O 3.29Å; S240-L245 WeakPolarHBondContact CB-O 3.42Å; S240-L245 PolarHBondContact O-N 3.47Å; S240-L245 PolarHBondContact OG-O 2.9Å; L243-L245 HydrophobicContact CB-CB 4.5Å; L243-L245 HydrophobicContact CB-CD1 4.07Å; L243-L245 HydrophobicContact CB-CG 3.98Å; L243-L245 HydrophobicContact CD1-CD1 4.34Å; L243-L245 PolarHBondContact O-N 2.9Å; L245-Q249 HydrophobicContact CB-CB 4.31Å; L245-V250 HydrophobicContact CB-CG2 4.09Å | ||
| 246 | T | 98.1 | Very high | 98.1 | Very high | 77 Ų | 77 | 68 Ų | 68 | 47% | 0.472 | 32% | 0.319 | S | S | . | . | trans | -70.4 | 150.7 | 171.1 | 60.6 | 0 | 0 | 0 | 0 | 111.1 | R248 Q249 V250 | T246-R248 PolarHBondContact O-N 2.86Å; T246-R248 VanDerWaalsContact O-N 3.13Å; T246-Q249 WeakPolarHBondContact O-CA 3.42Å; T246-Q249 WeakPolarHBondContact O-CB 3.49Å; T246-Q249 PolarHBondContact O-N 3.2Å; T246-Q249 WeakPolarHBondContact OG1-CB 3.26Å; T246-Q249 WeakPolarHBondContact OG1-CG 3.28Å; T246-Q249 PolarHBondContact OG1-N 3.13Å; T246-Q249 PolarHBondContact OG1-OE1 3.23Å; T246-V250 PolarHBondContact O-N 3.25Å; T246-V250 VanDerWaalsContact O-N 3.11Å | ||
| 247 | D | 98 | Very high | 98.1 | Very high | 56 Ų | 56 | 68.3 Ų | 68.3 | 30% | 0.299 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -48.4 | -43 | 173.6 | -176.7 | -88.5 | 0 | 0 | 0 | 111.7 | R236 S240 Q249 V250 K251 | R236-D247 VanDerWaalsContact CD-CG 3.41Å; R236-D247 WeakPolarHBondContact CD-OD1 3.4Å; R236-D247 WeakPolarHBondContact CD-OD2 3.41Å; R236-D247 WeakPolarHBondContact CG-OD2 3.24Å; R236-D247 IonicContact NH1-OD1 3.7Å; S240-D247 PolarHBondContact OG-N 3.21Å; D247-Q249 PolarHBondContact O-N 3.38Å; D247-V250 PolarHBondContact O-N 2.94Å; D247-K251 WeakPolarHBondContact O-CB 3.34Å; D247-K251 PolarHBondContact O-N 3.06Å |
| 248 | R | 97.6 | Very high | 98.1 | Very high | 178 Ų | 178 | 69.4 Ų | 69.4 | 67% | 0.672 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -62 | -41.8 | 177.2 | -174 | 174.5 | -177.6 | -83.5 | -1.7 | 112.7 | T246 K251 I252 | T246-R248 PolarHBondContact O-N 2.86Å; T246-R248 VanDerWaalsContact O-N 3.13Å; R248-K251 PolarHBondContact O-N 3.32Å; R248-I252 HydrophobicContact CG-CD1 3.83Å; R248-I252 HydrophobicContact CG-CG1 4.43Å; R248-I252 VanDerWaalsContact NH1-CD1 3.3Å; R248-I252 WeakPolarHBondContact O-CB 3.49Å; R248-I252 VanDerWaalsContact O-CG1 3.24Å; R248-I252 WeakPolarHBondContact O-CG1 3.42Å; R248-I252 PolarHBondContact O-N 3.34Å |
| 249 | Q | 97.9 | Very high | 98 | Very high | 66 Ų | 66 | 69.7 Ų | 69.7 | 31% | 0.308 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 177 | -79.6 | 166.4 | -52.1 | 0 | 0 | 111.3 | L245 T246 D247 I252 W253 | L245-Q249 HydrophobicContact CB-CB 4.31Å; T246-Q249 WeakPolarHBondContact O-CA 3.42Å; T246-Q249 WeakPolarHBondContact O-CB 3.49Å; T246-Q249 PolarHBondContact O-N 3.2Å; T246-Q249 WeakPolarHBondContact OG1-CB 3.26Å; T246-Q249 WeakPolarHBondContact OG1-CG 3.28Å; T246-Q249 PolarHBondContact OG1-N 3.13Å; T246-Q249 PolarHBondContact OG1-OE1 3.23Å; D247-Q249 PolarHBondContact O-N 3.38Å; Q249-I252 PolarHBondContact O-N 3.16Å; Q249-W253 WeakPolarHBondContact O-CB 3.48Å; Q249-W253 PolarHBondContact O-N 2.93Å |
| 250 | V | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.9 | -46 | 175.5 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | L221 I231 R236 L239 L245 T246 D247 I252 W253 F254 | L221-V250 HydrophobicContact CD2-CG1 4.04Å; I231-V250 HydrophobicContact CD1-CG1 4.1Å; R236-V250 HydrophobicContact CG-CB 3.92Å; R236-V250 HydrophobicContact CG-CG1 3.77Å; L239-V250 HydrophobicContact CB-CG1 4.35Å; L239-V250 HydrophobicContact CD1-CG1 4.36Å; L245-V250 HydrophobicContact CB-CG2 4.09Å; T246-V250 PolarHBondContact O-N 3.25Å; T246-V250 VanDerWaalsContact O-N 3.11Å; D247-V250 PolarHBondContact O-N 2.94Å; V250-I252 PolarHBondContact O-N 3.12Å; V250-W253 PolarHBondContact O-N 3.28Å; V250-F254 HydrophobicContact CG1-CD2 4.03Å; V250-F254 HydrophobicContact CG1-CE2 4.08Å; V250-F254 WeakPolarHBondContact O-CD2 3.42Å; V250-F254 PolarHBondContact O-N 3.43Å |
| 251 | K | 98.1 | Very high | 97.8 | Very high | 118 Ų | 118 | 77.9 Ų | 77.9 | 51% | 0.513 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.2 | -46.9 | 176 | -175.2 | 179.5 | 178.2 | -179.2 | 0 | 112.4 | D247 R248 F254 Q255 | D247-K251 WeakPolarHBondContact O-CB 3.34Å; D247-K251 PolarHBondContact O-N 3.06Å; R248-K251 PolarHBondContact O-N 3.32Å; K251-F254 PolarHBondContact O-N 2.94Å; K251-Q255 PolarHBondContact O-N 2.95Å; K251-Q255 VanDerWaalsContact O-N 3.1Å |
| 252 | I | 98.3 | Very high | 97.6 | Very high | 47 Ų | 47 | 75.7 Ų | 75.7 | 24% | 0.241 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 178.6 | -71.8 | 168.8 | 0 | 0 | 0 | 110.8 | R248 Q249 V250 F254 Q255 N256 | R248-I252 HydrophobicContact CG-CD1 3.83Å; R248-I252 HydrophobicContact CG-CG1 4.43Å; R248-I252 VanDerWaalsContact NH1-CD1 3.3Å; R248-I252 WeakPolarHBondContact O-CB 3.49Å; R248-I252 VanDerWaalsContact O-CG1 3.24Å; R248-I252 WeakPolarHBondContact O-CG1 3.42Å; R248-I252 PolarHBondContact O-N 3.34Å; Q249-I252 PolarHBondContact O-N 3.16Å; V250-I252 PolarHBondContact O-N 3.12Å; I252-F254 PolarHBondContact O-N 2.78Å; I252-Q255 WeakPolarHBondContact O-CB 3.49Å; I252-Q255 PolarHBondContact O-N 3.32Å; I252-N256 WeakPolarHBondContact O-CB 3.24Å; I252-N256 VanDerWaalsContact O-CG 3.3Å; I252-N256 PolarHBondContact O-N 3.22Å; I252-N256 PolarHBondContact O-ND2 3.15Å |
| 253 | W | 98.3 | Very high | 97.4 | Very high | 27 Ų | 27 | 77.7 Ų | 77.7 | 10% | 0.102 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 177.9 | -172 | 100.4 | 0 | 0 | 0 | 111.3 | Y213 L221 E222 F225 Q249 V250 Q255 N256 R257 | Y213-W253 AromaticContact CD2-CD1 3.76Å; Y213-W253 AromaticContact CE2-CD1 3.61Å; Y213-W253 HydrophobicContact CE2-CG 4.49Å; L221-W253 HydrophobicContact CB-CD2 3.85Å; L221-W253 HydrophobicContact CB-CE3 3.81Å; L221-W253 HydrophobicContact CB-CH2 3.62Å; L221-W253 HydrophobicContact CB-CZ2 3.63Å; L221-W253 HydrophobicContact CB-CZ3 3.7Å; L221-W253 HydrophobicContact CD1-CB 4.42Å; L221-W253 HydrophobicContact CD1-CD2 3.8Å; L221-W253 HydrophobicContact CD1-CE3 4.44Å; L221-W253 HydrophobicContact CD1-CG 3.75Å; L221-W253 HydrophobicContact CD2-CD2 4.4Å; L221-W253 HydrophobicContact CD2-CE3 4.29Å; L221-W253 HydrophobicContact CG-CD2 4.23Å; L221-W253 HydrophobicContact CG-CE3 4.4Å; E222-W253 HydrophobicContact CG-CH2 3.85Å; E222-W253 HydrophobicContact CG-CZ2 3.88Å; F225-W253 HydrophobicContact CB-CH2 4.33Å; F225-W253 HydrophobicContact CB-CZ3 4.11Å; F225-W253 HydrophobicContact CD2-CZ3 4.41Å; F225-W253 HydrophobicContact CG-CZ3 4.47Å; Q249-W253 WeakPolarHBondContact O-CB 3.48Å; Q249-W253 PolarHBondContact O-N 2.93Å; V250-W253 PolarHBondContact O-N 3.28Å; W253-Q255 VanDerWaalsContact C-N 3.3Å; W253-Q255 PolarHBondContact O-N 2.86Å; W253-N256 PolarHBondContact O-N 3.44Å; W253-R257 HydrophobicContact CD2-CB 4.47Å; W253-R257 HydrophobicContact CE3-CB 3.98Å; W253-R257 HydrophobicContact CH2-CB 3.99Å; W253-R257 HydrophobicContact CH2-CG 3.72Å; W253-R257 HydrophobicContact CZ2-CB 4.49Å; W253-R257 HydrophobicContact CZ2-CG 4.44Å; W253-R257 HydrophobicContact CZ3-CB 3.72Å; W253-R257 HydrophobicContact CZ3-CG 3.77Å; W253-R257 WeakPolarHBondContact O-CB 3.5Å; W253-R257 PolarHBondContact O-N 3.03Å |
| 254 | F | 98.6 | Very high | 97.1 | Very high | 5 Ų | 5 | 82 Ų | 82 | 2% | 0.022 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.6 | -35.6 | 176.7 | -90.8 | -99 | 0 | 0 | 0 | 112.6 | L221 E224 F225 I231 L239 V250 K251 I252 R258 | L221-F254 HydrophobicContact CD2-CE2 4.07Å; E224-F254 HydrophobicContact CB-CZ 4.22Å; F225-F254 HydrophobicContact CB-CE1 4.24Å; F225-F254 AromaticContact CD2-CD1 3.88Å; F225-F254 HydrophobicContact CD2-CD1 3.88Å; F225-F254 AromaticContact CD2-CE1 3.89Å; F225-F254 HydrophobicContact CD2-CE1 3.89Å; I231-F254 HydrophobicContact CB-CD1 3.92Å; I231-F254 HydrophobicContact CB-CD2 4.26Å; I231-F254 HydrophobicContact CB-CE1 3.76Å; I231-F254 HydrophobicContact CB-CE2 4.12Å; I231-F254 HydrophobicContact CB-CG 4.17Å; I231-F254 HydrophobicContact CB-CZ 3.87Å; I231-F254 HydrophobicContact CD1-CD2 4.31Å; I231-F254 HydrophobicContact CD1-CE1 4.5Å; I231-F254 HydrophobicContact CD1-CE2 3.62Å; I231-F254 HydrophobicContact CD1-CZ 3.74Å; I231-F254 HydrophobicContact CG1-CE2 4.45Å; I231-F254 HydrophobicContact CG1-CZ 4.26Å; I231-F254 HydrophobicContact CG2-CB 4.33Å; I231-F254 HydrophobicContact CG2-CD1 4.02Å; I231-F254 HydrophobicContact CG2-CD2 3.9Å; I231-F254 HydrophobicContact CG2-CE1 4.32Å; I231-F254 HydrophobicContact CG2-CE2 4.21Å; I231-F254 HydrophobicContact CG2-CG 3.8Å; I231-F254 HydrophobicContact CG2-CZ 4.42Å; L239-F254 HydrophobicContact CD1-CE2 4.22Å; V250-F254 HydrophobicContact CG1-CD2 4.03Å; V250-F254 HydrophobicContact CG1-CE2 4.08Å; V250-F254 WeakPolarHBondContact O-CD2 3.42Å; V250-F254 PolarHBondContact O-N 3.43Å; K251-F254 PolarHBondContact O-N 2.94Å; I252-F254 PolarHBondContact O-N 2.78Å; F254-R258 WeakPolarHBondContact O-CG 3.35Å; F254-R258 PolarHBondContact O-N 3.3Å; F254-R258 VanDerWaalsContact O-N 3.16Å; F254-R258 PolarHBondContact O-NE 3.2Å |
| 255 | Q | 98.3 | Very high | 96.6 | Very high | 102 Ų | 102 | 79.5 Ų | 79.5 | 48% | 0.477 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.9 | -49 | 173.6 | -171.8 | 175.7 | 16.3 | 0 | 0 | 111.4 | K251 I252 W253 R257 R258 M259 | K251-Q255 PolarHBondContact O-N 2.95Å; K251-Q255 VanDerWaalsContact O-N 3.1Å; I252-Q255 WeakPolarHBondContact O-CB 3.49Å; I252-Q255 PolarHBondContact O-N 3.32Å; W253-Q255 VanDerWaalsContact C-N 3.3Å; W253-Q255 PolarHBondContact O-N 2.86Å; Q255-R257 VanDerWaalsContact C-N 3.32Å; Q255-R257 PolarHBondContact O-N 2.99Å; Q255-R258 PolarHBondContact O-N 3.35Å; Q255-M259 WeakPolarHBondContact O-CG 3.46Å; Q255-M259 PolarHBondContact O-N 3.49Å; Q255-M259 VanDerWaalsContact O-N 3.09Å |
| 256 | N | 97.9 | Very high | 96.1 | Very high | 97 Ų | 97 | 85.6 Ų | 85.6 | 52% | 0.519 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 178.3 | -70.1 | -17.7 | 0 | 0 | 0 | 111.8 | I252 W253 M259 K260 | I252-N256 WeakPolarHBondContact O-CB 3.24Å; I252-N256 VanDerWaalsContact O-CG 3.3Å; I252-N256 PolarHBondContact O-N 3.22Å; I252-N256 PolarHBondContact O-ND2 3.15Å; W253-N256 PolarHBondContact O-N 3.44Å; N256-M259 PolarHBondContact O-N 2.86Å; N256-K260 WeakPolarHBondContact O-CB 3.27Å; N256-K260 PolarHBondContact O-N 3.02Å |
| 257 | R | 98.1 | Very high | 95.4 | Very high | 53 Ų | 53 | 85 Ų | 85 | 20% | 0.2 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 179.5 | -177.9 | 61 | -171.5 | 75 | 4.8 | 112 | F225 W253 Q255 K260 E261 | F225-R257 HydrophobicContact CD1-CG 3.86Å; F225-R257 HydrophobicContact CD2-CB 4.23Å; F225-R257 HydrophobicContact CD2-CG 3.61Å; F225-R257 HydrophobicContact CE1-CG 3.88Å; F225-R257 HydrophobicContact CE2-CB 4.16Å; F225-R257 HydrophobicContact CE2-CG 3.64Å; F225-R257 HydrophobicContact CG-CG 3.72Å; F225-R257 HydrophobicContact CZ-CG 3.77Å; W253-R257 HydrophobicContact CD2-CB 4.47Å; W253-R257 HydrophobicContact CE3-CB 3.98Å; W253-R257 HydrophobicContact CH2-CB 3.99Å; W253-R257 HydrophobicContact CH2-CG 3.72Å; W253-R257 HydrophobicContact CZ2-CB 4.49Å; W253-R257 HydrophobicContact CZ2-CG 4.44Å; W253-R257 HydrophobicContact CZ3-CB 3.72Å; W253-R257 HydrophobicContact CZ3-CG 3.77Å; W253-R257 WeakPolarHBondContact O-CB 3.5Å; W253-R257 PolarHBondContact O-N 3.03Å; Q255-R257 VanDerWaalsContact C-N 3.32Å; Q255-R257 PolarHBondContact O-N 2.99Å; R257-K260 PolarHBondContact O-N 3.09Å; R257-E261 IonicContact CZ-OE1 3.41Å; R257-E261 IonicContact NH1-OE1 2.93Å; R257-E261 PolarHBondContact NH1-OE1 2.65Å; R257-E261 IonicContact NH2-OE1 2.96Å; R257-E261 PolarHBondContact NH2-OE1 3.18Å; R257-E261 PolarHBondContact O-N 3.1Å |
| 258 | R | 97.8 | Very high | 94.7 | Very high | 82 Ų | 82 | 89.9 Ų | 89.9 | 31% | 0.309 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 172.9 | -72.4 | -176.8 | -69.4 | 145.5 | -5.1 | 112.2 | F225 V229 F254 Q255 K260 E261 K262 | F225-R258 HydrophobicContact CE2-CG 3.74Å; F225-R258 HydrophobicContact CZ-CG 4.12Å; V229-R258 HydrophobicContact CG1-CG 3.79Å; F254-R258 WeakPolarHBondContact O-CG 3.35Å; F254-R258 PolarHBondContact O-N 3.3Å; F254-R258 VanDerWaalsContact O-N 3.16Å; F254-R258 PolarHBondContact O-NE 3.2Å; Q255-R258 PolarHBondContact O-N 3.35Å; R258-K260 VanDerWaalsContact C-N 3.34Å; R258-K260 PolarHBondContact O-N 3.36Å; R258-E261 PolarHBondContact O-N 3.41Å; R258-K262 PolarHBondContact O-N 3.4Å |
| 259 | M | 97.8 | Very high | 93.6 | Very high | 103 Ų | 103 | 86.6 Ų | 86.6 | 51% | 0.507 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 176.3 | -67.8 | -59 | -71.4 | 0 | 0 | 111.9 | Q255 N256 K262 K263 | Q255-M259 WeakPolarHBondContact O-CG 3.46Å; Q255-M259 PolarHBondContact O-N 3.49Å; Q255-M259 VanDerWaalsContact O-N 3.09Å; N256-M259 PolarHBondContact O-N 2.86Å; M259-K262 PolarHBondContact O-N 3.3Å; M259-K263 WeakPolarHBondContact O-CB 3.37Å; M259-K263 PolarHBondContact O-N 2.93Å |
| 260 | K | 96.1 | Very high | 92.3 | Very high | 126 Ų | 126 | 89 Ų | 89 | 55% | 0.548 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 175.1 | -171.5 | 179.8 | 179.2 | -174.6 | 0 | 111.5 | N256 R257 R258 K263 I264 | N256-K260 WeakPolarHBondContact O-CB 3.27Å; N256-K260 PolarHBondContact O-N 3.02Å; R257-K260 PolarHBondContact O-N 3.09Å; R258-K260 VanDerWaalsContact C-N 3.34Å; R258-K260 PolarHBondContact O-N 3.36Å; K260-K263 PolarHBondContact O-N 3.09Å; K260-I264 HydrophobicContact CD-CD1 4.46Å; K260-I264 HydrophobicContact CG-CD1 3.83Å; K260-I264 HydrophobicContact CG-CG1 4.47Å; K260-I264 VanDerWaalsContact O-CG1 3.26Å; K260-I264 WeakPolarHBondContact O-CG1 3.28Å; K260-I264 PolarHBondContact O-N 3.09Å |
| 261 | E | 95 | Very high | 90.8 | Very high | 73 Ų | 73 | 96.4 Ų | 96.4 | 34% | 0.341 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.1 | -48.8 | 177.1 | -164.2 | 141.6 | -89.9 | 0 | 0 | 112.7 | F225 R257 R258 K263 I264 N265 | F225-E261 VanDerWaalsContact CE1-OE2 3.28Å; F225-E261 WeakPolarHBondContact CE1-OE2 3.12Å; F225-E261 VanDerWaalsContact CZ-OE2 3.26Å; F225-E261 WeakPolarHBondContact CZ-OE2 3.17Å; R257-E261 IonicContact CZ-OE1 3.41Å; R257-E261 IonicContact NH1-OE1 2.93Å; R257-E261 PolarHBondContact NH1-OE1 2.65Å; R257-E261 IonicContact NH2-OE1 2.96Å; R257-E261 PolarHBondContact NH2-OE1 3.18Å; R257-E261 PolarHBondContact O-N 3.1Å; R258-E261 PolarHBondContact O-N 3.41Å; E261-K263 VanDerWaalsContact C-N 3.26Å; E261-K263 PolarHBondContact O-N 3Å; E261-I264 PolarHBondContact O-N 3.17Å; E261-N265 WeakPolarHBondContact O-CB 3.23Å; E261-N265 PolarHBondContact O-N 2.99Å |
| 262 | K | 94.9 | Very high | 89 | Confident | 136 Ų | 136 | 97.5 Ų | 97.5 | 59% | 0.591 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -59.2 | -41.3 | 177.4 | -173.8 | 175.8 | 66.9 | 172.5 | 0 | 111.1 | R258 M259 R266 | R258-K262 PolarHBondContact O-N 3.4Å; M259-K262 PolarHBondContact O-N 3.3Å; K262-R266 WeakPolarHBondContact O-CB 3.38Å; K262-R266 PolarHBondContact O-N 3.23Å |
| 263 | K | 94.3 | Very high | 87.3 | Confident | 121 Ų | 121 | 99.8 Ų | 99.8 | 53% | 0.526 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.6 | -48.9 | 176.6 | -175.5 | 176 | 178.8 | -176.6 | 0 | 111.3 | M259 K260 E261 N265 R266 D267 | M259-K263 WeakPolarHBondContact O-CB 3.37Å; M259-K263 PolarHBondContact O-N 2.93Å; K260-K263 PolarHBondContact O-N 3.09Å; E261-K263 VanDerWaalsContact C-N 3.26Å; E261-K263 PolarHBondContact O-N 3Å; K263-N265 VanDerWaalsContact C-N 3.32Å; K263-N265 PolarHBondContact O-N 2.78Å; K263-R266 PolarHBondContact O-N 3.09Å; K263-D267 WeakPolarHBondContact CE-OD2 3.37Å; K263-D267 WeakPolarHBondContact CG-OD2 3.37Å; K263-D267 WeakPolarHBondContact O-CB 3.42Å; K263-D267 PolarHBondContact O-N 3.19Å |
| 264 | I | 90.3 | Very high | 85.4 | Confident | 94 Ų | 94 | 101.9 Ų | 101.9 | 48% | 0.482 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 179.3 | -68.4 | 165.4 | 0 | 0 | 0 | 111 | K260 E261 D267 R268 | K260-I264 HydrophobicContact CD-CD1 4.46Å; K260-I264 HydrophobicContact CG-CD1 3.83Å; K260-I264 HydrophobicContact CG-CG1 4.47Å; K260-I264 VanDerWaalsContact O-CG1 3.26Å; K260-I264 WeakPolarHBondContact O-CG1 3.28Å; K260-I264 PolarHBondContact O-N 3.09Å; E261-I264 PolarHBondContact O-N 3.17Å; I264-D267 PolarHBondContact O-N 3.29Å; I264-R268 WeakPolarHBondContact O-CB 3.46Å; I264-R268 PolarHBondContact O-N 3.16Å |
| 265 | N | 88.4 | Confident | 82.9 | Confident | 96 Ų | 96 | 106.1 Ų | 106.1 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64 | -45.5 | 178.5 | -166.6 | -20.8 | 0 | 0 | 0 | 111.3 | E261 K263 R268 L269 | E261-N265 WeakPolarHBondContact O-CB 3.23Å; E261-N265 PolarHBondContact O-N 2.99Å; K263-N265 VanDerWaalsContact C-N 3.32Å; K263-N265 PolarHBondContact O-N 2.78Å; N265-R268 PolarHBondContact O-N 2.94Å; N265-L269 WeakPolarHBondContact O-CG 3.05Å; N265-L269 PolarHBondContact O-N 2.93Å |
| 266 | R | 86.5 | Confident | 80.8 | Confident | 140 Ų | 140 | 106.8 Ų | 106.8 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.6 | -49 | 174.7 | -175.3 | -163.8 | 65.9 | -175.5 | 3.4 | 112.1 | K262 K263 R268 L269 Q270 | K262-R266 WeakPolarHBondContact O-CB 3.38Å; K262-R266 PolarHBondContact O-N 3.23Å; K263-R266 PolarHBondContact O-N 3.09Å; R266-R268 VanDerWaalsContact C-N 3.27Å; R266-R268 PolarHBondContact O-N 3.05Å; R266-L269 PolarHBondContact O-N 3.25Å; R266-Q270 VanDerWaalsContact O-CG 3.28Å; R266-Q270 WeakPolarHBondContact O-CG 3.34Å; R266-Q270 PolarHBondContact O-N 3.1Å |
| 267 | D | 83.8 | Confident | 78.5 | Confident | 66 Ų | 66 | 109.7 Ų | 109.7 | 35% | 0.353 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.4 | -33.7 | -177.2 | -63.1 | -5.9 | 0 | 0 | 0 | 110.6 | K263 I264 Q270 Y271 | K263-D267 WeakPolarHBondContact CE-OD2 3.37Å; K263-D267 WeakPolarHBondContact CG-OD2 3.37Å; K263-D267 WeakPolarHBondContact O-CB 3.42Å; K263-D267 PolarHBondContact O-N 3.19Å; I264-D267 PolarHBondContact O-N 3.29Å; D267-Q270 PolarHBondContact O-N 2.88Å; D267-Y271 PolarHBondContact O-N 3.4Å |
| 268 | R | 82.8 | Confident | 75.9 | Confident | 157 Ų | 157 | 119.1 Ų | 119.1 | 59% | 0.592 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65 | -44.6 | 171.6 | -176.2 | 174.6 | -174.7 | -162.8 | -3.2 | 112.2 | I264 N265 R266 Q270 Y271 Y272 | I264-R268 WeakPolarHBondContact O-CB 3.46Å; I264-R268 PolarHBondContact O-N 3.16Å; N265-R268 PolarHBondContact O-N 2.94Å; R266-R268 VanDerWaalsContact C-N 3.27Å; R266-R268 PolarHBondContact O-N 3.05Å; R268-Q270 VanDerWaalsContact C-N 3.32Å; R268-Q270 PolarHBondContact O-N 3.09Å; R268-Y271 PolarHBondContact O-N 3.02Å; R268-Y272 HydrophobicContact CG-CD2 4.02Å; R268-Y272 HydrophobicContact CG-CE2 3.51Å; R268-Y272 WeakPolarHBondContact O-CD2 3.08Å; R268-Y272 PolarHBondContact O-N 3.26Å |
| 269 | L | 74.2 | Confident | 74.8 | Confident | 109 Ų | 109 | 121 Ų | 121 | 57% | 0.571 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.2 | -38.3 | 175.3 | -72.2 | 170.4 | 0 | 0 | 0 | 112 | N265 R266 Y272 S273 | N265-L269 WeakPolarHBondContact O-CG 3.05Å; N265-L269 PolarHBondContact O-N 2.93Å; R266-L269 PolarHBondContact O-N 3.25Å; L269-Y272 PolarHBondContact O-N 2.9Å; L269-S273 WeakPolarHBondContact O-CB 3.5Å; L269-S273 PolarHBondContact O-N 2.97Å |
| 270 | Q | 70.8 | Confident | 73.6 | Confident | 118 Ų | 118 | 121.9 Ų | 121.9 | 55% | 0.551 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.8 | -38.6 | 175.3 | -69.4 | -71.3 | -36.6 | 0 | 0 | 111.9 | R266 D267 R268 Y272 S273 A274 | R266-Q270 VanDerWaalsContact O-CG 3.28Å; R266-Q270 WeakPolarHBondContact O-CG 3.34Å; R266-Q270 PolarHBondContact O-N 3.1Å; D267-Q270 PolarHBondContact O-N 2.88Å; R268-Q270 VanDerWaalsContact C-N 3.32Å; R268-Q270 PolarHBondContact O-N 3.09Å; Q270-Y272 VanDerWaalsContact C-N 3.33Å; Q270-Y272 PolarHBondContact O-N 3.17Å; Q270-S273 PolarHBondContact O-N 3.14Å; Q270-A274 WeakPolarHBondContact O-CB 3.35Å; Q270-A274 PolarHBondContact O-N 3.11Å |
| 271 | Y | 67.1 | Low | 72.3 | Confident | 154 Ų | 154 | 121.7 Ų | 121.7 | 60% | 0.604 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.4 | -37.3 | 175.2 | -178.9 | -95.2 | 0 | 0 | 0 | 113.2 | D267 R268 N275 | D267-Y271 PolarHBondContact O-N 3.4Å; R268-Y271 PolarHBondContact O-N 3.02Å; Y271-N275 PolarHBondContact O-ND2 3.04Å; Y271-N275 VanDerWaalsContact O-ND2 3.08Å |
| 272 | Y | 59.8 | Low | 71 | Confident | 142 Ų | 142 | 124.5 Ų | 124.5 | 56% | 0.557 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -78.7 | -29 | 175.5 | -66.3 | -65.9 | 0 | 0 | 0 | 113.1 | R268 L269 Q270 | R268-Y272 HydrophobicContact CG-CD2 4.02Å; R268-Y272 HydrophobicContact CG-CE2 3.51Å; R268-Y272 WeakPolarHBondContact O-CD2 3.08Å; R268-Y272 PolarHBondContact O-N 3.26Å; L269-Y272 PolarHBondContact O-N 2.9Å; Q270-Y272 VanDerWaalsContact C-N 3.33Å; Q270-Y272 PolarHBondContact O-N 3.17Å |
| 273 | S | 62.4 | Low | 69.5 | Low | 94 Ų | 94 | 123.8 Ų | 123.8 | 66% | 0.657 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -81.4 | -26.3 | 177.5 | -174.1 | 0 | 0 | 0 | 0 | 113.8 | L269 Q270 | L269-S273 WeakPolarHBondContact O-CB 3.5Å; L269-S273 PolarHBondContact O-N 2.97Å; Q270-S273 PolarHBondContact O-N 3.14Å |
| 274 | A | 57.9 | Low | 67.9 | Low | 72 Ų | 72 | 124 Ų | 124 | 60% | 0.595 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -90.7 | 4.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q270 P276 | Q270-A274 WeakPolarHBondContact O-CB 3.35Å; Q270-A274 PolarHBondContact O-N 3.11Å; A274-P276 VanDerWaalsContact C-CD 3.49Å; A274-P276 VanDerWaalsContact O-CD 3.24Å; A274-P276 WeakPolarHBondContact O-CD 3.43Å |
| 275 | N | 47.3 | Very low | 66.3 | Low | 94 Ų | 94 | 126.1 Ų | 126.1 | 50% | 0.503 | 64% | 0.637 | S | S | . | * | trans | -108.5 | 85.7 | 169.9 | -83.2 | -56.2 | 0 | 0 | 0 | 110.1 | Y271 L277 | Y271-N275 PolarHBondContact O-ND2 3.04Å; Y271-N275 VanDerWaalsContact O-ND2 3.08Å; N275-L277 PolarHBondContact O-N 3.34Å; N275-L277 VanDerWaalsContact O-N 3.1Å | ||
| 276 | P | 54 | Low | 64.6 | Low | 115 Ų | 115 | 128.5 Ų | 128.5 | 75% | 0.747 | 65% | 0.646 | S | S | * | * | trans | -84.5 | 53.4 | 173.5 | 37.6 | -35.2 | 0 | 0 | 0 | 110.8 | A274 | A274-P276 VanDerWaalsContact C-CD 3.49Å; A274-P276 VanDerWaalsContact O-CD 3.24Å; A274-P276 WeakPolarHBondContact O-CD 3.43Å | ||
| 277 | L | 49 | Very low | 62.7 | Low | 158 Ų | 158 | 127.5 Ų | 127.5 | 83% | 0.827 | 66% | 0.656 | S | S | * | * | trans | -127.1 | 73.2 | 172.5 | -69.5 | -179.5 | 0 | 0 | 0 | 110 | N275 | N275-L277 PolarHBondContact O-N 3.34Å; N275-L277 VanDerWaalsContact O-N 3.1Å | ||
| 278 | L | 43.8 | Very low | 60.8 | Low | 251 Ų | 251 | 133.1 Ų | 133.1 | 100% | 1.314 | 68% | 0.683 | S | S | * | * | trans | -140.5 | 0 | 139.9 | -86 | 176.7 | 0 | 0 | 0 | 107.4 |
Retrieved 278 of 278 residues in 77.6 ms
(Link to these results)