| 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 | 31.2 | Very low | 40.4 | Very low | 235 Ų | 235 | 121.3 Ų | 121.3 | 100% | 1.158 | 81% | 0.812 | S | S | * | * | 0 | 145.3 | 0 | -65.1 | 160.3 | 64.4 | 0 | 0 | 107.9 | |||||
| 2 | P | 49.1 | Very low | 40.5 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | cis | -90.1 | 159.9 | -38.2 | -1.5 | 24.7 | 0 | 0 | 0 | 110.1 | ||||
| 3 | Q | 45 | Very low | 40.7 | Very low | 164 Ų | 164 | 128.1 Ų | 128.1 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | 66.9 | 135.3 | 59.4 | -52.3 | -101.7 | -80.5 | 0 | 0 | 112.5 | |||||
| 4 | L | 43.7 | Very low | 41 | Very low | 138 Ų | 138 | 128.3 Ų | 128.3 | 72% | 0.723 | 82% | 0.818 | S | S | * | * | cis | -156.6 | 171.6 | -9.9 | -98.7 | 168.1 | 0 | 0 | 0 | 106.4 | ||||
| 5 | S | 38.8 | Very low | 40.9 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 74% | 0.741 | 82% | 0.819 | S | S | * | * | cis | -128.8 | -141.8 | 5.3 | -146.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 6 | G | 36.4 | Very low | 41 | Very low | 73 Ų | 73 | 125.1 Ų | 125.1 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | cis | 96.5 | 134.2 | 2.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 7 | G | 36 | Very low | 41 | Very low | 81 Ų | 81 | 127.2 Ų | 127.2 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | cis | 154.1 | 129.4 | -7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 8 | G | 34.2 | Very low | 41.6 | Very low | 88 Ų | 88 | 128.7 Ų | 128.7 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | trans | 86.2 | 154.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 9 | G | 34.3 | Very low | 41.6 | Very low | 83 Ų | 83 | 131.3 Ų | 131.3 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | cis | -143.2 | -161.3 | 6.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 10 | D | 40.4 | Very low | 42 | Very low | 159 Ų | 159 | 132 Ų | 132 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | -94.8 | -154.6 | -161.6 | -155.2 | 23.4 | 0 | 0 | 0 | 112.8 | ||||
| 11 | P | 55.3 | Low | 42.2 | Very low | 91 Ų | 91 | 131 Ų | 131 | 59% | 0.591 | 80% | 0.802 | S | S | * | * | -117.4 | -166.4 | -122.8 | 39.1 | -19.5 | 0 | 0 | 0 | 114 | |||||
| 12 | E | 41.5 | Very low | 42.2 | Very low | 176 Ų | 176 | 129.6 Ų | 129.6 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | 67.8 | 154.7 | -179.1 | -45.3 | -166.4 | 143 | 0 | 0 | 113 | ||||
| 13 | L | 42.8 | Very low | 42.1 | Very low | 155 Ų | 155 | 133 Ų | 133 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | cis | -127.8 | 170.8 | 12.1 | -72 | 156.3 | 0 | 0 | 0 | 111.1 | A15 | L13-A15 PolarHBondContact O-N 3.32Å; L13-A15 VanDerWaalsContact O-N 3.14Å | ||
| 14 | C | 44.9 | Very low | 42.1 | Very low | 131 Ų | 131 | 132 Ų | 132 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | trans | -62.7 | 111.8 | 165.4 | -65.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 15 | A | 40.3 | Very low | 42.6 | Very low | 100 Ų | 100 | 134.2 Ų | 134.2 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | -92.2 | 108.3 | 156.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | L13 | L13-A15 PolarHBondContact O-N 3.32Å; L13-A15 VanDerWaalsContact O-N 3.14Å | ||
| 16 | T | 41.9 | Very low | 43 | Very low | 106 Ų | 106 | 131 Ų | 131 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | trans | -62 | 130.8 | 169.3 | 37.4 | 0 | 0 | 0 | 0 | 109.7 | E18 | T16-E18 PolarHBondContact O-N 3.03Š| ||
| 17 | D | 41.6 | Very low | 43.6 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | -72.7 | 79.7 | 168.1 | -168.4 | 33.2 | 0 | 0 | 0 | 108.2 | M19 | D17-M19 PolarHBondContact O-N 3.09Š| ||
| 18 | E | 51.5 | Low | 44.3 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | trans | -62.3 | 117.9 | 177.7 | -68.8 | -168.7 | 156.8 | 0 | 0 | 108.8 | T16 I20 | T16-E18 PolarHBondContact O-N 3.03Å; E18-I20 PolarHBondContact O-N 3.14Å | ||
| 19 | M | 41.5 | Very low | 45 | Very low | 177 Ų | 177 | 133.2 Ų | 133.2 | 87% | 0.872 | 74% | 0.739 | S | S | * | * | trans | -51.2 | 99.8 | 177.1 | -70.3 | 167.9 | 49 | 0 | 0 | 110.4 | D17 P21 | D17-M19 PolarHBondContact O-N 3.09Å; M19-P21 WeakPolarHBondContact O-CD 3.46Å; M19-P21 WeakPolarHBondContact O-CG 3.44Å | ||
| 20 | I | 49.2 | Very low | 45.9 | Very low | 145 Ų | 145 | 135.8 Ų | 135.8 | 74% | 0.744 | 73% | 0.727 | S | S | * | * | trans | -59.8 | 108.2 | 179.2 | -58.6 | 177 | 0 | 0 | 0 | 108 | E18 F22 | E18-I20 PolarHBondContact O-N 3.14Å; I20-F22 PolarHBondContact O-N 2.99Å | ||
| 21 | P | 46.1 | Very low | 46.5 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | trans | -74.2 | 122.8 | 178.7 | -9.6 | 28.1 | 0 | 0 | 0 | 106.6 | M19 K23 | M19-P21 WeakPolarHBondContact O-CD 3.46Å; M19-P21 WeakPolarHBondContact O-CG 3.44Å; P21-K23 PolarHBondContact O-N 3.45Å | ||
| 22 | F | 31.4 | Very low | 46.2 | Very low | 206 Ų | 206 | 137 Ų | 137 | 90% | 0.904 | 72% | 0.72 | S | S | * | * | trans | -63.1 | 104.4 | 172.2 | -95.7 | -93.9 | 0 | 0 | 0 | 108.6 | I20 D24 | I20-F22 PolarHBondContact O-N 2.99Å; F22-D24 PolarHBondContact O-N 3.08Å | ||
| 23 | K | 46.8 | Very low | 46.8 | Very low | 187 Ų | 187 | 132.6 Ų | 132.6 | 81% | 0.813 | 70% | 0.701 | S | S | * | * | trans | -77.7 | 75.2 | -179.3 | -167.7 | 174.3 | -176.8 | 178.1 | 0 | 109.5 | P21 | P21-K23 PolarHBondContact O-N 3.45Š| ||
| 24 | D | 45.8 | Very low | 47.1 | Very low | 143 Ų | 143 | 133 Ų | 133 | 77% | 0.765 | 70% | 0.696 | S | S | * | * | trans | -66.8 | 127.3 | 169.3 | -169 | 30.5 | 0 | 0 | 0 | 108.9 | F22 G26 | F22-D24 PolarHBondContact O-N 3.08Å; D24-G26 PolarHBondContact O-N 2.99Å | ||
| 25 | E | 54.9 | Low | 47.3 | Very low | 184 Ų | 184 | 129.1 Ų | 129.1 | 86% | 0.86 | 67% | 0.674 | S | S | * | * | trans | -82.1 | 51.8 | 172 | -67.1 | -166.2 | 138.3 | 0 | 0 | 109.9 | D27 | E25-D27 PolarHBondContact O-N 3.45Š| ||
| 26 | G | 46.1 | Very low | 47.7 | Very low | 40 Ų | 40 | 131.7 Ų | 131.7 | 41% | 0.412 | 67% | 0.669 | S | S | . | * | trans | -85.3 | 94.5 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | D24 P28 | D24-G26 PolarHBondContact O-N 2.99Å; G26-P28 VanDerWaalsContact O-N 3.16Å | ||
| 27 | D | 48.4 | Very low | 48.2 | Very low | 75 Ų | 75 | 133 Ų | 133 | 40% | 0.401 | 67% | 0.672 | S | S | . | * | trans | -12.5 | 104.1 | 165.5 | 175.6 | 8.3 | 0 | 0 | 0 | 115.1 | E25 H29 K30 | E25-D27 PolarHBondContact O-N 3.45Å; D27-H29 PolarHBondContact O-N 3.17Å; D27-H29 WeakPolarHBondContact OD1-CB 3.38Å; D27-H29 PolarHBondContact OD1-N 3.1Å; D27-K30 HydrophobicContact CB-CD 4.42Å; D27-K30 HydrophobicContact CB-CG 4.32Å; D27-K30 VanDerWaalsContact CB-NZ 3.32Å; D27-K30 PolarHBondContact O-N 3.23Å; D27-K30 IonicContact OD2-NZ 2.64Å; D27-K30 PolarHBondContact OD2-NZ 2.85Å | ||
| 28 | P | 51.1 | Low | 48.5 | Very low | 94 Ų | 94 | 128.9 Ų | 128.9 | 61% | 0.61 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -66.7 | -13.5 | -169.1 | 26.9 | -35.8 | 0 | 0 | 0 | 113.8 | G26 K30 Q32 | G26-P28 VanDerWaalsContact O-N 3.16Å; P28-K30 PolarHBondContact O-N 3.2Å; P28-Q32 WeakPolarHBondContact O-CG 3.36Å |
| 29 | H | 49.8 | Very low | 47.9 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 55% | 0.546 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -71 | -21.1 | 175.7 | -160.4 | 32.6 | 0 | 0 | 0 | 112.2 | D27 I33 | D27-H29 PolarHBondContact O-N 3.17Å; D27-H29 WeakPolarHBondContact OD1-CB 3.38Å; D27-H29 PolarHBondContact OD1-N 3.1Å; H29-I33 WeakPolarHBondContact O-CD1 3.43Å; H29-I33 WeakPolarHBondContact O-CG1 3.43Å |
| 30 | K | 52.7 | Low | 47.8 | Very low | 137 Ų | 137 | 124.8 Ų | 124.8 | 60% | 0.596 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -77.4 | -39.1 | -179.7 | -64.5 | -171.2 | 179 | 77.9 | 0 | 113.4 | D27 P28 F34 | D27-K30 HydrophobicContact CB-CD 4.42Å; D27-K30 HydrophobicContact CB-CG 4.32Å; D27-K30 VanDerWaalsContact CB-NZ 3.32Å; D27-K30 PolarHBondContact O-N 3.23Å; D27-K30 IonicContact OD2-NZ 2.64Å; D27-K30 PolarHBondContact OD2-NZ 2.85Å; P28-K30 PolarHBondContact O-N 3.2Å; K30-F34 PolarHBondContact O-N 2.81Å |
| 31 | E | 53.1 | Low | 47.7 | Very low | 152 Ų | 152 | 127 Ų | 127 | 71% | 0.71 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73.7 | -38 | 178.6 | -68.6 | -162.5 | 129.6 | 0 | 0 | 112 | I33 F34 A35 | E31-I33 PolarHBondContact O-N 3.31Å; E31-F34 PolarHBondContact O-N 2.88Å; E31-A35 WeakPolarHBondContact O-CB 3.48Å; E31-A35 PolarHBondContact O-N 2.8Å |
| 32 | Q | 49.5 | Very low | 47.9 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 58% | 0.584 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -54.8 | -50.6 | 175.6 | -73.5 | 177.3 | -14.1 | 0 | 0 | 111.7 | P28 F34 A35 E36 | P28-Q32 WeakPolarHBondContact O-CG 3.36Å; Q32-F34 PolarHBondContact O-N 3.29Å; Q32-A35 PolarHBondContact O-N 2.88Å; Q32-E36 VanDerWaalsContact O-CB 3.26Å; Q32-E36 WeakPolarHBondContact O-CB 3.46Å; Q32-E36 PolarHBondContact O-N 2.9Å |
| 33 | I | 53.8 | Low | 48.6 | Very low | 82 Ų | 82 | 128.6 Ų | 128.6 | 42% | 0.421 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -59.4 | -36 | 177.4 | -66 | 167.7 | 0 | 0 | 0 | 111.4 | H29 E31 L37 | H29-I33 WeakPolarHBondContact O-CD1 3.43Å; H29-I33 WeakPolarHBondContact O-CG1 3.43Å; E31-I33 PolarHBondContact O-N 3.31Å; I33-L37 HydrophobicContact CG2-CD1 4.01Å; I33-L37 WeakPolarHBondContact O-CB 3.26Å; I33-L37 WeakPolarHBondContact O-CD1 3.44Å; I33-L37 WeakPolarHBondContact O-CG 2.99Å; I33-L37 PolarHBondContact O-N 3.45Å |
| 34 | F | 47.8 | Very low | 48.5 | Very low | 163 Ų | 163 | 121.8 Ų | 121.8 | 72% | 0.715 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -77.6 | -35.9 | -178.1 | -144.9 | -88 | 0 | 0 | 0 | 112.9 | K30 E31 Q32 S38 | K30-F34 PolarHBondContact O-N 2.81Å; E31-F34 PolarHBondContact O-N 2.88Å; Q32-F34 PolarHBondContact O-N 3.29Å; F34-S38 PolarHBondContact O-N 3.06Å; F34-S38 PolarHBondContact O-OG 3.43Å |
| 35 | A | 49.4 | Very low | 49 | Very low | 51 Ų | 51 | 120.6 Ų | 120.6 | 42% | 0.421 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -74.2 | -39.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E31 Q32 L37 S38 H39 | E31-A35 WeakPolarHBondContact O-CB 3.48Å; E31-A35 PolarHBondContact O-N 2.8Å; Q32-A35 PolarHBondContact O-N 2.88Å; A35-L37 VanDerWaalsContact C-N 3.32Å; A35-L37 PolarHBondContact O-N 3.41Å; A35-S38 WeakPolarHBondContact CA-OG 3.21Å; A35-S38 PolarHBondContact O-N 2.88Å; A35-S38 VanDerWaalsContact O-N 3.11Å; A35-S38 PolarHBondContact O-OG 3.4Å; A35-H39 PolarHBondContact O-N 3.11Å |
| 36 | E | 49.8 | Very low | 49 | Very low | 154 Ų | 154 | 118.2 Ų | 118.2 | 72% | 0.72 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.7 | -37.3 | 175.3 | -169 | 171 | -153.7 | 0 | 0 | 111.1 | Q32 S38 | Q32-E36 VanDerWaalsContact O-CB 3.26Å; Q32-E36 WeakPolarHBondContact O-CB 3.46Å; Q32-E36 PolarHBondContact O-N 2.9Å; E36-S38 VanDerWaalsContact C-N 3.29Å; E36-S38 PolarHBondContact O-N 3.4Å |
| 37 | L | 51 | Low | 49.4 | Very low | 134 Ų | 134 | 119.2 Ų | 119.2 | 70% | 0.702 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -13.4 | 172 | -74.8 | 172.3 | 0 | 0 | 0 | 114.8 | I33 A35 | I33-L37 HydrophobicContact CG2-CD1 4.01Å; I33-L37 WeakPolarHBondContact O-CB 3.26Å; I33-L37 WeakPolarHBondContact O-CD1 3.44Å; I33-L37 WeakPolarHBondContact O-CG 2.99Å; I33-L37 PolarHBondContact O-N 3.45Å; A35-L37 VanDerWaalsContact C-N 3.32Å; A35-L37 PolarHBondContact O-N 3.41Å |
| 38 | S | 48 | Very low | 50 | Low | 74 Ų | 74 | 120.8 Ų | 120.8 | 52% | 0.517 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.3 | -8.9 | 179.7 | 61.6 | 0 | 0 | 0 | 0 | 115 | F34 A35 E36 | F34-S38 PolarHBondContact O-N 3.06Å; F34-S38 PolarHBondContact O-OG 3.43Å; A35-S38 WeakPolarHBondContact CA-OG 3.21Å; A35-S38 PolarHBondContact O-N 2.88Å; A35-S38 VanDerWaalsContact O-N 3.11Å; A35-S38 PolarHBondContact O-OG 3.4Å; E36-S38 VanDerWaalsContact C-N 3.29Å; E36-S38 PolarHBondContact O-N 3.4Å |
| 39 | H | 40.5 | Very low | 50.4 | Low | 158 Ų | 158 | 122 Ų | 122 | 73% | 0.731 | 63% | 0.633 | S | S | * | * | trans | -116.1 | 18.6 | -174.3 | -78.4 | -56.3 | 0 | 0 | 0 | 114.9 | A35 E41 | A35-H39 PolarHBondContact O-N 3.11Å; H39-E41 VanDerWaalsContact C-N 3.28Å; H39-E41 PolarHBondContact O-N 3.32Å | ||
| 40 | S | 37.9 | Very low | 50.6 | Low | 87 Ų | 87 | 124.3 Ų | 124.3 | 61% | 0.608 | 64% | 0.641 | S | S | * | * | trans | -76.9 | 69.7 | 178.2 | 67.5 | 0 | 0 | 0 | 0 | 114.1 | E42 | S40-E42 VanDerWaalsContact C-N 3.28Å; S40-E42 PolarHBondContact O-N 3.5Å | ||
| 41 | E | 47.7 | Very low | 50.6 | Low | 190 Ų | 190 | 121.2 Ų | 121.2 | 89% | 0.888 | 64% | 0.637 | S | S | * | * | S | Bend | trans | 61.5 | -6.3 | 141.2 | -58.1 | 175.5 | 173.9 | 0 | 0 | 120.7 | H39 E43 | H39-E41 VanDerWaalsContact C-N 3.28Å; H39-E41 PolarHBondContact O-N 3.32Å; E41-E43 PolarHBondContact O-N 3.24Å |
| 42 | E | 50 | Low | 50.8 | Low | 164 Ų | 164 | 118.9 Ų | 118.9 | 77% | 0.766 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | 0.6 | -170.9 | -153.8 | 172.2 | -169 | 0 | 0 | 115.5 | S40 | S40-E42 VanDerWaalsContact C-N 3.28Å; S40-E42 PolarHBondContact O-N 3.5Å |
| 43 | E | 45.5 | Very low | 50.9 | Low | 188 Ų | 188 | 119.9 Ų | 119.9 | 88% | 0.879 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -5.3 | -174.8 | -164.7 | 156.8 | -159.8 | 0 | 0 | 114.9 | E41 | E41-E43 PolarHBondContact O-N 3.24Š|
| 44 | G | 46 | Very low | 50.6 | Low | 45 Ų | 45 | 121.3 Ų | 121.3 | 46% | 0.464 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -80.7 | -49.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L46 A47 | G44-L46 VanDerWaalsContact C-N 3.25Å; G44-L46 PolarHBondContact O-N 2.93Å; G44-L46 VanDerWaalsContact O-N 3.1Å; G44-A47 WeakPolarHBondContact O-CB 3.32Å; G44-A47 PolarHBondContact O-N 3.32Å |
| 45 | D | 55.6 | Low | 50.6 | Low | 118 Ų | 118 | 120.7 Ų | 120.7 | 63% | 0.631 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -64.7 | -25.4 | -161.4 | -136.5 | 33.5 | 0 | 0 | 0 | 113.9 | A47 I49 | D45-A47 VanDerWaalsContact C-N 3.31Å; D45-A47 PolarHBondContact O-N 3.28Å; D45-I49 WeakPolarHBondContact O-CG1 3.47Å |
| 46 | L | 54.8 | Low | 50.2 | Low | 134 Ų | 134 | 127.5 Ų | 127.5 | 70% | 0.702 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -73.3 | -17.4 | 176.8 | -84.4 | 142.2 | 0 | 0 | 0 | 114.1 | G44 | G44-L46 VanDerWaalsContact C-N 3.25Å; G44-L46 PolarHBondContact O-N 2.93Å; G44-L46 VanDerWaalsContact O-N 3.1Å |
| 47 | A | 54.8 | Low | 50.2 | Low | 60 Ų | 60 | 125.5 Ų | 125.5 | 50% | 0.496 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -76.7 | -45.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | G44 D45 K50 S51 | G44-A47 WeakPolarHBondContact O-CB 3.32Å; G44-A47 PolarHBondContact O-N 3.32Å; D45-A47 VanDerWaalsContact C-N 3.31Å; D45-A47 PolarHBondContact O-N 3.28Å; A47-K50 WeakPolarHBondContact O-CB 3.33Å; A47-K50 PolarHBondContact O-N 2.56Å; A47-K50 VanDerWaalsContact O-N 3.08Å; A47-S51 PolarHBondContact O-N 3.32Å |
| 48 | D | 60.9 | Low | 49.9 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 58% | 0.583 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -73.5 | -33.6 | -173.3 | -68.3 | -37.2 | 0 | 0 | 0 | 113.1 | K50 S51 S52 | D48-K50 PolarHBondContact O-N 3.26Å; D48-S51 WeakPolarHBondContact CA-OG 3.16Å; D48-S51 PolarHBondContact O-N 2.9Å; D48-S51 PolarHBondContact O-OG 3.03Å; D48-S52 WeakPolarHBondContact O-CB 3.33Å; D48-S52 PolarHBondContact O-N 3.24Å |
| 49 | I | 59.9 | Low | 49.4 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 62% | 0.615 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -62.4 | -26.6 | 170.8 | -62.3 | 168.7 | 0 | 0 | 0 | 111.1 | D45 | D45-I49 WeakPolarHBondContact O-CG1 3.47Å |
| 50 | K | 53.6 | Low | 49.3 | Very low | 165 Ų | 165 | 130.2 Ų | 130.2 | 72% | 0.717 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -90.7 | -33 | -179.1 | -167.4 | 179.5 | 177.5 | -172.2 | 0 | 113.3 | A47 D48 | A47-K50 WeakPolarHBondContact O-CB 3.33Å; A47-K50 PolarHBondContact O-N 2.56Å; A47-K50 VanDerWaalsContact O-N 3.08Å; D48-K50 PolarHBondContact O-N 3.26Å |
| 51 | S | 52.3 | Low | 49.5 | Very low | 73 Ų | 73 | 131.6 Ų | 131.6 | 51% | 0.51 | 72% | 0.722 | S | S | . | * | H | α-helix | trans | -67.4 | -38.6 | 173.9 | 61.7 | 0 | 0 | 0 | 0 | 111.6 | A47 D48 L53 V54 | A47-S51 PolarHBondContact O-N 3.32Å; D48-S51 WeakPolarHBondContact CA-OG 3.16Å; D48-S51 PolarHBondContact O-N 2.9Å; D48-S51 PolarHBondContact O-OG 3.03Å; S51-L53 PolarHBondContact O-N 2.94Å; S51-L53 VanDerWaalsContact O-N 3.09Å; S51-V54 PolarHBondContact O-N 3.02Å |
| 52 | S | 57.5 | Low | 48.7 | Very low | 102 Ų | 102 | 129 Ų | 129 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -23.3 | 176.4 | -174.4 | 0 | 0 | 0 | 0 | 114.8 | D48 | D48-S52 WeakPolarHBondContact O-CB 3.33Å; D48-S52 PolarHBondContact O-N 3.24Å |
| 53 | L | 52.5 | Low | 48.1 | Very low | 147 Ų | 147 | 126.8 Ų | 126.8 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -8.6 | -174.4 | -167.5 | 56.4 | 0 | 0 | 0 | 114.5 | S51 | S51-L53 PolarHBondContact O-N 2.94Å; S51-L53 VanDerWaalsContact O-N 3.09Å |
| 54 | V | 47.5 | Very low | 47.5 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 68% | 0.679 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -139.1 | 39.8 | -168.1 | -67.5 | 0 | 0 | 0 | 0 | 115.4 | S51 | S51-V54 PolarHBondContact O-N 3.02Š|
| 55 | N | 47.1 | Very low | 46.7 | Very low | 150 Ų | 150 | 127.9 Ų | 127.9 | 80% | 0.802 | 73% | 0.727 | S | S | * | * | trans | -173 | 124.2 | 143.5 | -114 | 13.7 | 0 | 0 | 0 | 111.2 | ||||
| 56 | E | 42 | Very low | 45.8 | Very low | 193 Ų | 193 | 129.8 Ų | 129.8 | 90% | 0.902 | 73% | 0.732 | S | S | * | * | -168.2 | 141.7 | 126.9 | -77.9 | -134.8 | 125.7 | 0 | 0 | 106.8 | |||||
| 57 | S | 49.8 | Very low | 44.6 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | trans | -153.5 | 138 | -178.1 | -72.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 58 | E | 43.4 | Very low | 43.6 | Very low | 189 Ų | 189 | 131.8 Ų | 131.8 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | trans | 58.8 | 126.9 | -178.1 | -65.1 | -171.2 | 70.3 | 0 | 0 | 117.2 | ||||
| 59 | I | 38.3 | Very low | 42.3 | Very low | 165 Ų | 165 | 130.7 Ų | 130.7 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | -160.4 | 138.2 | 110.2 | -84.7 | 138 | 0 | 0 | 0 | 107 | |||||
| 60 | S | 37.9 | Very low | 41.3 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -113.7 | 147.9 | 165.5 | -69.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 61 | P | 43 | Very low | 40.3 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | -150.4 | 135.1 | 95.5 | 36.2 | -17.9 | 0 | 0 | 0 | 117.2 | |||||
| 62 | N | 31 | Very low | 39.4 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | 48.9 | 111.1 | 128.6 | -167.7 | 69.1 | 0 | 0 | 0 | 121.6 | |||||
| 63 | S | 36.8 | Very low | 38.2 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -145.6 | 147.1 | 140.4 | 65.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 64 | N | 33.4 | Very low | 37.4 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -89.3 | 145.7 | -159.9 | -63.7 | -21 | 0 | 0 | 0 | 115.2 | ||||
| 65 | S | 28.8 | Very low | 36.6 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | -162.8 | 144.1 | 124.5 | -175.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 66 | H | 35.9 | Very low | 36.6 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -46 | 158 | 162.2 | -77 | -111.5 | 0 | 0 | 0 | 113.5 | ||||
| 67 | D | 30.7 | Very low | 36 | Very low | 141 Ų | 141 | 135.2 Ų | 135.2 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | cis | -157.7 | 178.6 | 4.8 | -123.5 | -35.8 | 0 | 0 | 0 | 108.2 | ||||
| 68 | A | 33.9 | Very low | 35 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | cis | -148.9 | -175.5 | 11.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 69 | A | 32.8 | Very low | 34.5 | Very low | 86 Ų | 86 | 136.7 Ų | 136.7 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -97 | 143.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 70 | R | 39 | Very low | 34.7 | Very low | 246 Ų | 246 | 136.8 Ų | 136.8 | 93% | 0.928 | 77% | 0.767 | S | S | * | * | 162 | 148.4 | 127.1 | -88.7 | 165 | -179.7 | -168.1 | 0.8 | 111 | |||||
| 71 | Q | 32.2 | Very low | 34.4 | Very low | 157 Ų | 157 | 138.2 Ų | 138.2 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | cis | -179.3 | 120.1 | -24.6 | 172.5 | 72 | 15.8 | 0 | 0 | 106.3 | ||||
| 72 | S | 33.7 | Very low | 34.1 | Very low | 93 Ų | 93 | 141.3 Ų | 141.3 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | trans | 61 | 155.2 | 163.3 | 65.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 73 | Q | 33.3 | Very low | 34.3 | Very low | 164 Ų | 164 | 142 Ų | 142 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | cis | -166.3 | 143.3 | -15.6 | -109.7 | 171.4 | -3.9 | 0 | 0 | 110.6 | ||||
| 74 | I | 34.1 | Very low | 34.3 | Very low | 156 Ų | 156 | 148.3 Ų | 148.3 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | trans | 60.1 | 150.9 | 137.4 | -60.1 | 166.1 | 0 | 0 | 0 | 120.2 | ||||
| 75 | A | 32.5 | Very low | 34.4 | Very low | 83 Ų | 83 | 149.1 Ų | 149.1 | 69% | 0.686 | 77% | 0.767 | S | S | * | * | trans | -117.2 | -159.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 76 | P | 46.9 | Very low | 35.2 | Very low | 105 Ų | 105 | 151.8 Ų | 151.8 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | cis | -128.8 | -159.7 | -19.8 | 37.2 | -16.2 | 0 | 0 | 0 | 112.6 | ||||
| 77 | D | 29.4 | Very low | 36.3 | Very low | 154 Ų | 154 | 149.3 Ų | 149.3 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | trans | 61.4 | 130 | 157.1 | -58.8 | -28.2 | 0 | 0 | 0 | 122.4 | ||||
| 78 | S | 29 | Very low | 36.5 | Very low | 117 Ų | 117 | 149.4 Ų | 149.4 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | -177.9 | 145.2 | 120.5 | -168.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 79 | Y | 33.1 | Very low | 36.7 | Very low | 215 Ų | 215 | 151 Ų | 151 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | trans | -77.8 | 154.4 | 167.5 | -91.2 | -117.6 | 0 | 0 | 0 | 111.1 | ||||
| 80 | H | 41.2 | Very low | 36.9 | Very low | 167 Ų | 167 | 150.1 Ų | 150.1 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | -148.2 | 99 | 147.7 | -127.3 | -48.7 | 0 | 0 | 0 | 115.4 | ||||
| 81 | E | 32.5 | Very low | 36.7 | Very low | 140 Ų | 140 | 147 Ų | 147 | 65% | 0.654 | 75% | 0.753 | S | S | * | * | trans | -64.8 | 140.4 | 161.7 | -173.8 | 63.3 | -123.8 | 0 | 0 | 111.1 | H83 | E81-H83 IonicContact OE1-CD2 3.88Š| ||
| 82 | K | 35.9 | Very low | 37.1 | Very low | 182 Ų | 182 | 148.1 Ų | 148.1 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | -154.3 | 100.5 | 163.3 | -78.4 | -158.4 | 176.9 | 172.2 | 0 | 113.9 | ||||
| 83 | H | 36.1 | Very low | 37.8 | Very low | 148 Ų | 148 | 147.7 Ų | 147.7 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | trans | -69.8 | 150.1 | 162.2 | -103.1 | -114.4 | 0 | 0 | 0 | 113.4 | E81 | E81-H83 IonicContact OE1-CD2 3.88Š| ||
| 84 | R | 35.9 | Very low | 37.8 | Very low | 253 Ų | 253 | 147 Ų | 147 | 96% | 0.955 | 75% | 0.754 | S | S | * | * | trans | -162.9 | 149.9 | 137.6 | -130.8 | 174.3 | 178.3 | 129.9 | 2 | 111.8 | ||||
| 85 | E | 36.6 | Very low | 38 | Very low | 158 Ų | 158 | 148.6 Ų | 148.6 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | -128 | 148.6 | -166.1 | -54.4 | 175.3 | 131.5 | 0 | 0 | 113.3 | ||||
| 86 | H | 43.9 | Very low | 38.2 | Very low | 170 Ų | 170 | 155 Ų | 155 | 79% | 0.787 | 77% | 0.769 | S | S | * | * | trans | 55.2 | 168.3 | 149.3 | -124 | -130.3 | 0 | 0 | 0 | 119.3 | ||||
| 87 | P | 58.9 | Low | 37.7 | Very low | 105 Ų | 105 | 154.1 Ų | 154.1 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | cis | -140.9 | 174 | 7.8 | 45.1 | -26.8 | 0 | 0 | 0 | 120.4 | ||||
| 88 | D | 36.6 | Very low | 38.1 | Very low | 144 Ų | 144 | 157.3 Ų | 157.3 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | 97.2 | 172.3 | 139.2 | -129.3 | 76.4 | 0 | 0 | 0 | 122.6 | ||||
| 89 | D | 37.6 | Very low | 38.3 | Very low | 127 Ų | 127 | 154.6 Ų | 154.6 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | trans | -111.3 | 165.9 | -140.8 | -142.2 | -59.4 | 0 | 0 | 0 | 114.7 | ||||
| 90 | G | 36.7 | Very low | 38.5 | Very low | 69 Ų | 69 | 153.4 Ų | 153.4 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | trans | 175.5 | 140.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 91 | K | 35.7 | Very low | 38.8 | Very low | 180 Ų | 180 | 151 Ų | 151 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | -138.3 | 148.4 | -166.3 | -63.2 | 173.2 | -175.3 | 166.2 | 0 | 114.7 | ||||
| 92 | H | 38.8 | Very low | 38.9 | Very low | 180 Ų | 180 | 155.2 Ų | 155.2 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | trans | 74.7 | 153.6 | 158.5 | -123.3 | -120.7 | 0 | 0 | 0 | 117.7 | ||||
| 93 | P | 49.1 | Very low | 39.5 | Very low | 85 Ų | 85 | 152.5 Ų | 152.5 | 55% | 0.552 | 78% | 0.775 | S | S | * | * | cis | -136.7 | -174.6 | -47 | 43.4 | -29.8 | 0 | 0 | 0 | 115 | ||||
| 94 | D | 33.4 | Very low | 39.5 | Very low | 148 Ų | 148 | 150 Ų | 150 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | 50.2 | 107.3 | 148.4 | -57.6 | -31.2 | 0 | 0 | 0 | 122.5 | ||||
| 95 | M | 38.8 | Very low | 39.3 | Very low | 191 Ų | 191 | 148.6 Ų | 148.6 | 94% | 0.941 | 78% | 0.777 | S | S | * | * | trans | -152.4 | 104.6 | 135.2 | -165.9 | 114.4 | 73.5 | 0 | 0 | 114.4 | ||||
| 96 | Y | 37 | Very low | 39.8 | Very low | 216 Ų | 216 | 146.8 Ų | 146.8 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | trans | 6.2 | 133.9 | 154.4 | -143.7 | -125.6 | 0 | 0 | 0 | 123.5 | ||||
| 97 | S | 35.4 | Very low | 39.4 | Very low | 88 Ų | 88 | 142 Ų | 142 | 62% | 0.615 | 78% | 0.775 | S | S | * | * | trans | 69.4 | 101.2 | 143.5 | -73.1 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 98 | K | 38.5 | Very low | 38.6 | Very low | 221 Ų | 221 | 147 Ų | 147 | 96% | 0.961 | 78% | 0.782 | S | S | * | * | -154.9 | 142.1 | 117.3 | -125.2 | 171.8 | -176.1 | 173.6 | 0 | 109.8 | |||||
| 99 | G | 31.7 | Very low | 39.4 | Very low | 59 Ų | 59 | 147.8 Ų | 147.8 | 61% | 0.608 | 79% | 0.785 | S | S | * | * | trans | -132.8 | 154 | -163.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 100 | H | 37.8 | Very low | 39.8 | Very low | 191 Ų | 191 | 150.1 Ų | 150.1 | 88% | 0.884 | 79% | 0.793 | S | S | * | * | trans | 68.9 | 161.7 | 156.1 | -56.6 | -63.5 | 0 | 0 | 0 | 118.3 | ||||
| 101 | P | 46.8 | Very low | 40.3 | Very low | 117 Ų | 117 | 155.3 Ų | 155.3 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | cis | -124.2 | 156.5 | 2.1 | 39.1 | -24.8 | 0 | 0 | 0 | 116.7 | ||||
| 102 | Y | 34.7 | Very low | 40.5 | Very low | 227 Ų | 227 | 150 Ų | 150 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | -125.2 | 130.6 | 154.2 | -109.2 | -82.9 | 0 | 0 | 0 | 107.3 | ||||
| 103 | P | 48.6 | Very low | 40.5 | Very low | 125 Ų | 125 | 148.8 Ų | 148.8 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | -93.3 | 131.8 | 169.5 | 33.1 | -28.6 | 0 | 0 | 0 | 110.8 | ||||
| 104 | A | 35.8 | Very low | 40.1 | Very low | 96 Ų | 96 | 152.9 Ų | 152.9 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | trans | -127.1 | 145.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 105 | Y | 32.1 | Very low | 40.1 | Very low | 224 Ų | 224 | 152.4 Ų | 152.4 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | trans | 30.3 | 107.9 | 151.5 | -124.8 | -86.1 | 0 | 0 | 0 | 120 | ||||
| 106 | P | 47.7 | Very low | 39.8 | Very low | 120 Ų | 120 | 148 Ų | 148 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -82.7 | 150.5 | 154.9 | 35 | -32 | 0 | 0 | 0 | 110.8 | ||||
| 107 | G | 34.7 | Very low | 39.8 | Very low | 69 Ų | 69 | 145.7 Ų | 145.7 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | cis | 153.7 | 103.5 | -6.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 108 | Y | 42.8 | Very low | 39.7 | Very low | 211 Ų | 211 | 146.4 Ų | 146.4 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -150.3 | 135.2 | 156.9 | 56.4 | -93 | 0 | 0 | 0 | 109.9 | ||||
| 109 | I | 53.1 | Low | 39.5 | Very low | 160 Ų | 160 | 145.8 Ų | 145.8 | 82% | 0.821 | 80% | 0.797 | S | S | * | * | trans | -108.3 | 129 | 179.7 | -62.5 | 176.1 | 0 | 0 | 0 | 107.9 | M111 | I109-M111 PolarHBondContact O-N 3.41Š| ||
| 110 | M | 45.8 | Very low | 40 | Very low | 175 Ų | 175 | 151.4 Ų | 151.4 | 86% | 0.862 | 81% | 0.809 | S | S | * | * | trans | -78.3 | 109.7 | 174.4 | -64.7 | -77.3 | -78.2 | 0 | 0 | 108.8 | ||||
| 111 | M | 48 | Very low | 39.7 | Very low | 179 Ų | 179 | 148.1 Ų | 148.1 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | trans | -109.7 | 137.1 | 174.8 | -153.9 | 68.8 | -175.3 | 0 | 0 | 110.8 | I109 | I109-M111 PolarHBondContact O-N 3.41Š| ||
| 112 | G | 38.7 | Very low | 39.1 | Very low | 68 Ų | 68 | 149.5 Ų | 149.5 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | -84.9 | 143.9 | -166.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 113 | N | 39 | Very low | 39 | Very low | 155 Ų | 155 | 142.3 Ų | 142.3 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -16.6 | 128 | 160.2 | -179.1 | 27 | 0 | 0 | 0 | 117.4 | ||||
| 114 | M | 41.7 | Very low | 38.3 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 84% | 0.837 | 80% | 0.797 | S | S | * | * | trans | -138.4 | 127.1 | 157.8 | -85.5 | -72.3 | 170.8 | 0 | 0 | 109.7 | ||||
| 115 | N | 33.2 | Very low | 38.4 | Very low | 138 Ų | 138 | 145.4 Ų | 145.4 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | trans | 11.9 | 113.6 | 160.7 | -78.9 | 5.3 | 0 | 0 | 0 | 118.8 | ||||
| 116 | S | 31.7 | Very low | 38.7 | Very low | 98 Ų | 98 | 140.3 Ų | 140.3 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | 85 | 100.3 | 67.4 | 76.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 117 | D | 37.8 | Very low | 38.6 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 90% | 0.904 | 80% | 0.798 | S | S | * | * | trans | -151.9 | 163.6 | 151 | -120.7 | -37.3 | 0 | 0 | 0 | 110.5 | ||||
| 118 | S | 34 | Very low | 39.1 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | trans | -112.4 | 158.8 | -155 | -62 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 119 | Y | 33 | Very low | 39 | Very low | 208 Ų | 208 | 142 Ų | 142 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | trans | 63.3 | 111.4 | 164.5 | -95.7 | -103 | 0 | 0 | 0 | 118.5 | ||||
| 120 | M | 41.8 | Very low | 38.3 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | -160.3 | 175.6 | 103.4 | -102 | -55.6 | 157.1 | 0 | 0 | 112.3 | |||||
| 121 | N | 31.9 | Very low | 38.1 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 66% | 0.658 | 81% | 0.808 | S | S | * | * | trans | -124 | 160.7 | -154 | -171.8 | 21.3 | 0 | 0 | 0 | 114.3 | ||||
| 122 | N | 34.9 | Very low | 38.1 | Very low | 145 Ų | 145 | 140 Ų | 140 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | trans | 74.6 | 139.3 | 172.5 | -51.4 | -61.1 | 0 | 0 | 0 | 117.2 | ||||
| 123 | G | 32.3 | Very low | 37.9 | Very low | 77 Ų | 77 | 141.7 Ų | 141.7 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -173.8 | -10.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 124 | S | 34.7 | Very low | 38.1 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | 56.9 | 127.8 | 174 | -157.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 125 | L | 37.5 | Very low | 38 | Very low | 164 Ų | 164 | 143.1 Ų | 143.1 | 86% | 0.859 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 153.8 | 174 | -63.8 | 161.3 | 0 | 0 | 0 | 112 | ||
| 126 | S | 37.5 | Very low | 38.4 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 133.6 | 169.3 | -49.8 | 0 | 0 | 0 | 0 | 111.7 | ||
| 127 | P | 46.3 | Very low | 39.5 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 146.8 | 172.7 | -20.8 | 33.8 | 0 | 0 | 0 | 113.2 | ||
| 128 | P | 46 | Very low | 39.9 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 162.4 | -179.5 | 33.1 | -36.1 | 0 | 0 | 0 | 113.9 | ||
| 129 | M | 39.5 | Very low | 40.4 | Very low | 187 Ų | 187 | 143.1 Ų | 143.1 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 130.2 | -179.3 | -66.9 | 156.6 | 53.1 | 0 | 0 | 113.7 | ||
| 130 | A | 39 | Very low | 40.7 | Very low | 101 Ų | 101 | 141.5 Ų | 141.5 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -91 | 154.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 131 | R | 41.6 | Very low | 40.6 | Very low | 229 Ų | 229 | 138.4 Ų | 138.4 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -110.4 | 159.9 | -178.5 | -80.5 | 179.1 | 160 | 166.2 | -5.7 | 112.3 | ||||
| 132 | T | 48.4 | Very low | 40.8 | Very low | 140 Ų | 140 | 138.2 Ų | 138.2 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | trans | 63.4 | 123.6 | 165.3 | 64.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 133 | S | 33.7 | Very low | 41 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | -178.6 | 144.9 | 109.2 | -168.4 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 134 | N | 44 | Very low | 41.6 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | trans | -84 | 113.1 | 176.6 | -73.3 | -25.7 | 0 | 0 | 0 | 110.5 | ||||
| 135 | K | 40 | Very low | 41.9 | Very low | 191 Ų | 191 | 142.1 Ų | 142.1 | 83% | 0.83 | 82% | 0.82 | S | S | * | * | trans | -140.2 | 135.1 | 160.9 | -70.6 | -163.8 | 175.3 | -173.2 | 0 | 111.3 | ||||
| 136 | V | 40.7 | Very low | 42 | Very low | 129 Ų | 129 | 142.9 Ų | 142.9 | 78% | 0.782 | 82% | 0.819 | S | S | * | * | trans | -74.7 | 134.3 | 175.7 | 179.7 | 0 | 0 | 0 | 0 | 109.2 | V138 | V136-V138 PolarHBondContact O-N 2.73Š| ||
| 137 | P | 54 | Low | 42.3 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | trans | -67.9 | 112 | 171.3 | -18.6 | 32.4 | 0 | 0 | 0 | 111.1 | ||||
| 138 | V | 47.7 | Very low | 42.1 | Very low | 137 Ų | 137 | 145 Ų | 145 | 83% | 0.83 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 125.2 | 165.4 | 172.2 | 0 | 0 | 0 | 0 | 108.1 | V136 | V136-V138 PolarHBondContact O-N 2.73Š|
| 139 | V | 44.9 | Very low | 41.7 | Very low | 125 Ų | 125 | 145 Ų | 145 | 76% | 0.758 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 124.3 | 177.2 | 174.1 | 0 | 0 | 0 | 0 | 109.7 | ||
| 140 | Q | 39.1 | Very low | 42.1 | Very low | 174 Ų | 174 | 141.6 Ų | 141.6 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 133 | 165 | -76 | -168.9 | -43.7 | 0 | 0 | 110.5 | ||
| 141 | P | 39.1 | Very low | 42.2 | Very low | 111 Ų | 111 | 143.5 Ų | 143.5 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 126.6 | 160.8 | -6.6 | 24.7 | 0 | 0 | 0 | 110 | ||
| 142 | S | 35.2 | Very low | 42.6 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -90 | 124.7 | 168.5 | -58 | 0 | 0 | 0 | 0 | 110.2 | ||
| 143 | H | 39.4 | Very low | 41.9 | Very low | 188 Ų | 188 | 138.4 Ų | 138.4 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 130.1 | 177.1 | -71.9 | -98.7 | 0 | 0 | 0 | 111.7 | ||
| 144 | A | 45 | Very low | 41.9 | Very low | 95 Ų | 95 | 144 Ų | 144 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -150.3 | 80.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 145 | V | 40.4 | Very low | 41.3 | Very low | 143 Ų | 143 | 141.1 Ų | 141.1 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | 36.1 | 114.2 | 152.2 | -150.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 146 | H | 40.7 | Very low | 41.2 | Very low | 180 Ų | 180 | 139.1 Ų | 139.1 | 83% | 0.833 | 79% | 0.789 | S | S | * | * | trans | -81.8 | 143.6 | 161 | -69.8 | -104.4 | 0 | 0 | 0 | 111.5 | ||||
| 147 | P | 43.9 | Very low | 41.3 | Very low | 111 Ų | 111 | 140.8 Ų | 140.8 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -83.4 | 142.3 | 163.8 | 33.5 | -31.9 | 0 | 0 | 0 | 111.9 | ||
| 148 | L | 42.4 | Very low | 40.7 | Very low | 173 Ų | 173 | 142.6 Ų | 142.6 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | trans | 74.8 | 101.3 | 171 | -53.6 | -178.1 | 0 | 0 | 0 | 117.9 | ||||
| 149 | T | 36.2 | Very low | 40 | Very low | 128 Ų | 128 | 145.2 Ų | 145.2 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -57.4 | 161.3 | 163.3 | -0.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 150 | P | 48 | Very low | 39.6 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | -136.3 | 136.3 | 69.7 | 34.8 | -17.9 | 0 | 0 | 0 | 117.6 | |||||
| 151 | L | 41.3 | Very low | 40.2 | Very low | 140 Ų | 140 | 141.1 Ų | 141.1 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | 41.2 | 105.3 | 136.1 | -67.3 | 152.3 | 0 | 0 | 0 | 119.2 | T153 | L151-T153 WeakPolarHBondContact CD2-OG1 3.35Š| ||
| 152 | I | 50.3 | Low | 39.8 | Very low | 174 Ų | 174 | 139 Ų | 139 | 89% | 0.892 | 78% | 0.784 | S | S | * | * | trans | -94.5 | 122.2 | 137 | -66.9 | 162.2 | 0 | 0 | 0 | 107.2 | ||||
| 153 | T | 34.6 | Very low | 39.6 | Very low | 89 Ų | 89 | 138 Ų | 138 | 55% | 0.546 | 78% | 0.777 | S | S | . | * | trans | -157.9 | 127.5 | 160.4 | -12.3 | 0 | 0 | 0 | 0 | 111.5 | L151 | L151-T153 WeakPolarHBondContact CD2-OG1 3.35Š| ||
| 154 | Y | 33.1 | Very low | 39.5 | Very low | 220 Ų | 220 | 137.4 Ų | 137.4 | 86% | 0.863 | 77% | 0.774 | S | S | * | * | trans | 65 | 145.4 | 173.9 | -64.6 | -77.3 | 0 | 0 | 0 | 116.6 | ||||
| 155 | S | 31.7 | Very low | 38.9 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | cis | -147.4 | 167.4 | -2.4 | -155.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 156 | D | 37.3 | Very low | 38.4 | Very low | 150 Ų | 150 | 134.3 Ų | 134.3 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | -59.5 | 172.1 | 162.7 | -84.3 | -74.3 | 0 | 0 | 0 | 114.1 | ||||
| 157 | E | 42.2 | Very low | 38.2 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | -27.5 | 142.6 | -179.9 | -49.6 | -174.3 | 130.1 | 0 | 0 | 118.1 | ||||
| 158 | H | 42.5 | Very low | 37.8 | Very low | 155 Ų | 155 | 137.9 Ų | 137.9 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | -179.4 | 140.4 | 116.2 | -95.9 | -52.2 | 0 | 0 | 0 | 114.9 | |||||
| 159 | F | 32.8 | Very low | 38.2 | Very low | 192 Ų | 192 | 133.9 Ų | 133.9 | 84% | 0.842 | 76% | 0.755 | S | S | * | * | trans | 49.3 | 128.9 | 156.4 | -69.8 | -75.9 | 0 | 0 | 0 | 122.8 | ||||
| 160 | A | 36.8 | Very low | 38.1 | Very low | 87 Ų | 87 | 136.1 Ų | 136.1 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | trans | -88.7 | -175.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 161 | P | 50.6 | Low | 37.4 | Very low | 126 Ų | 126 | 138 Ų | 138 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | cis | -139.9 | -178.3 | 4.2 | 43.8 | -25.8 | 0 | 0 | 0 | 116.8 | ||||
| 162 | G | 31.4 | Very low | 37.3 | Very low | 68 Ų | 68 | 135.3 Ų | 135.3 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | 96.4 | 163.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 163 | S | 30.8 | Very low | 36.4 | Very low | 97 Ų | 97 | 130.6 Ų | 130.6 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | cis | -162.3 | 162.6 | -7.7 | -76.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 164 | H | 36.4 | Very low | 36.4 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | trans | 72.9 | 145.3 | 165.9 | -49.7 | -63.3 | 0 | 0 | 0 | 118.7 | ||||
| 165 | S | 33.4 | Very low | 36.9 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | cis | 127.6 | 120.7 | -16.1 | 72.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 166 | G | 30.9 | Very low | 37.4 | Very low | 70 Ų | 70 | 134.1 Ų | 134.1 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | 92.6 | 158.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 167 | H | 36.4 | Very low | 37.3 | Very low | 198 Ų | 198 | 131.9 Ų | 131.9 | 92% | 0.917 | 77% | 0.772 | S | S | * | * | cis | -152.6 | 175.4 | -4.3 | -112.9 | -81.9 | 0 | 0 | 0 | 111.7 | ||||
| 168 | H | 34.5 | Very low | 36.9 | Very low | 169 Ų | 169 | 127.9 Ų | 127.9 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | trans | -98 | -171.1 | -179.4 | -174 | 66.7 | 0 | 0 | 0 | 110.7 | ||||
| 169 | P | 50.1 | Low | 36.6 | Very low | 88 Ų | 88 | 127.6 Ų | 127.6 | 57% | 0.571 | 78% | 0.775 | S | S | * | * | -101.7 | -166.6 | -82.1 | 41.5 | -27.1 | 0 | 0 | 0 | 113.5 | |||||
| 170 | Q | 35 | Very low | 37.1 | Very low | 175 Ų | 175 | 124.4 Ų | 124.4 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | 163.6 | 169.1 | 104.7 | -154.9 | 157.6 | 24.6 | 0 | 0 | 113.4 | |||||
| 171 | D | 32.8 | Very low | 37.1 | Very low | 155 Ų | 155 | 129.9 Ų | 129.9 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | -65.8 | 160.8 | -177.3 | -53.4 | -95.6 | 0 | 0 | 0 | 116.3 | ||||
| 172 | G | 38.8 | Very low | 36.2 | Very low | 83 Ų | 83 | 132.6 Ų | 132.6 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | -179.4 | 109.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 173 | G | 31.9 | Very low | 36.7 | Very low | 75 Ų | 75 | 138 Ų | 138 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -116.2 | 142.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 174 | N | 34.4 | Very low | 37.3 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | 83.3 | 149.3 | 149.4 | -159.5 | 8.5 | 0 | 0 | 0 | 119.2 | ||||
| 175 | K | 44.3 | Very low | 37.1 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 70% | 0.7 | 79% | 0.787 | S | S | * | * | trans | 74.9 | 138.2 | 170.8 | -51.7 | 172.8 | -168.2 | 172.4 | 0 | 115.2 | ||||
| 176 | Q | 41.2 | Very low | 38.4 | Very low | 178 Ų | 178 | 135 Ų | 135 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | cis | -158.9 | 165.2 | -6 | -111.2 | 155.5 | -20.5 | 0 | 0 | 105.7 | ||||
| 177 | A | 35.6 | Very low | 38.4 | Very low | 104 Ų | 104 | 139.4 Ų | 139.4 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | cis | -157.7 | -177.3 | 23.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 178 | G | 34 | Very low | 38.2 | Very low | 79 Ų | 79 | 138.5 Ų | 138.5 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | trans | 121.1 | 80.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 179 | M | 37 | Very low | 38.6 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 73% | 0.729 | 79% | 0.787 | S | S | * | * | trans | -112.9 | 148.5 | 161.4 | -94.1 | -159.5 | 78.3 | 0 | 0 | 108 | R181 | M179-R181 HydrophobicContact CE-CG 3.85Š| ||
| 180 | P | 43.4 | Very low | 37.8 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | -141 | 170.7 | 72.9 | 37.9 | -20.5 | 0 | 0 | 0 | 116.7 | |||||
| 181 | R | 36 | Very low | 37.7 | Very low | 203 Ų | 203 | 138 Ų | 138 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | trans | -72.9 | 160.1 | 163.2 | -69.1 | 169.4 | 169.4 | 141.6 | -4.7 | 110.1 | M179 | M179-R181 HydrophobicContact CE-CG 3.85Š| ||
| 182 | H | 32.3 | Very low | 37.7 | Very low | 183 Ų | 183 | 141.9 Ų | 141.9 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | -173.4 | 139.9 | 113.3 | -102.6 | -77.2 | 0 | 0 | 0 | 111.5 | |||||
| 183 | H | 42 | Very low | 37.6 | Very low | 181 Ų | 181 | 143.3 Ų | 143.3 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -92.4 | 150.3 | 158.4 | -62.6 | -88.7 | 0 | 0 | 0 | 108.4 | ||||
| 184 | P | 43.9 | Very low | 38 | Very low | 127 Ų | 127 | 147.8 Ų | 147.8 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | -144.2 | 168.7 | 112.9 | 39.4 | -26.7 | 0 | 0 | 0 | 114.6 | |||||
| 185 | G | 32.1 | Very low | 38 | Very low | 69 Ų | 69 | 146.2 Ų | 146.2 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | -128 | -159.6 | 147.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 186 | P | 58.8 | Low | 37.9 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | cis | -120.1 | -177.4 | -8.4 | 40.8 | -26.6 | 0 | 0 | 0 | 112.5 | ||||
| 187 | D | 31.5 | Very low | 37.9 | Very low | 163 Ų | 163 | 140.6 Ų | 140.6 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | 173.2 | 167.6 | 130 | -90.8 | -20.6 | 0 | 0 | 0 | 113.2 | |||||
| 188 | M | 33 | Very low | 38.1 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | -93.4 | 178.5 | -173.8 | -123.6 | 101 | 70.7 | 0 | 0 | 112.5 | ||||
| 189 | P | 42.1 | Very low | 38.3 | Very low | 101 Ų | 101 | 142.9 Ų | 142.9 | 66% | 0.656 | 81% | 0.813 | S | S | * | * | cis | -133.4 | -171 | -18.3 | 37.5 | -18.6 | 0 | 0 | 0 | 114.5 | ||||
| 190 | N | 32.9 | Very low | 38.1 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | trans | 81.9 | 144.8 | 153 | -78.4 | -25.6 | 0 | 0 | 0 | 122.2 | ||||
| 191 | F | 33.1 | Very low | 38.1 | Very low | 183 Ų | 183 | 142.4 Ų | 142.4 | 80% | 0.803 | 82% | 0.816 | S | S | * | * | trans | 50.9 | 83.4 | 165.4 | -64.9 | -66.8 | 0 | 0 | 0 | 119.5 | ||||
| 192 | Y | 34.2 | Very low | 38.2 | Very low | 238 Ų | 238 | 140.4 Ų | 140.4 | 93% | 0.933 | 82% | 0.818 | S | S | * | * | trans | -133 | 150.9 | 138.7 | -90 | -72.5 | 0 | 0 | 0 | 112.6 | ||||
| 193 | S | 35.1 | Very low | 38.6 | Very low | 112 Ų | 112 | 137.9 Ų | 137.9 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | trans | -68 | 154.7 | -158.1 | -51.2 | 0 | 0 | 0 | 0 | 116.4 | S195 | S193-S195 PolarHBondContact O-N 3.45Š| ||
| 194 | L | 40.6 | Very low | 38.6 | Very low | 169 Ų | 169 | 134.2 Ų | 134.2 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | trans | -61.1 | 128 | 168.7 | -68.9 | 165 | 0 | 0 | 0 | 112.1 | ||||
| 195 | S | 35.6 | Very low | 38.4 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -149.9 | 114.8 | 151.9 | -87.9 | 0 | 0 | 0 | 0 | 108.1 | S193 | S193-S195 PolarHBondContact O-N 3.45Š| ||
| 196 | P | 42.1 | Very low | 39 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | trans | -75.2 | 148.7 | -172.8 | -18 | 31.9 | 0 | 0 | 0 | 114.4 | ||||
| 197 | G | 40.1 | Very low | 38.2 | Very low | 83 Ų | 83 | 136.1 Ų | 136.1 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | 94 | 54.2 | 144.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 198 | G | 39.9 | Very low | 38.6 | Very low | 69 Ų | 69 | 139 Ų | 139 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | -99.7 | 137.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 199 | V | 38 | Very low | 39 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 98% | 0.982 | 80% | 0.8 | S | S | * | * | trans | 70.1 | 140.2 | 164.1 | -170.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 200 | G | 33.3 | Very low | 38.8 | Very low | 64 Ų | 64 | 141.4 Ų | 141.4 | 66% | 0.66 | 81% | 0.81 | S | S | * | * | trans | 154.5 | 85.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 201 | Q | 43.1 | Very low | 38.7 | Very low | 200 Ų | 200 | 144.6 Ų | 144.6 | 94% | 0.935 | 82% | 0.817 | S | S | * | * | trans | -77.7 | 116.8 | 158.6 | -89.6 | -160.1 | -13.5 | 0 | 0 | 109.4 | ||||
| 202 | I | 37.9 | Very low | 39 | Very low | 160 Ų | 160 | 141.5 Ų | 141.5 | 82% | 0.821 | 82% | 0.816 | S | S | * | * | trans | -146.7 | 134.6 | 159.1 | -8 | 175.3 | 0 | 0 | 0 | 110.2 | ||||
| 203 | T | 41.5 | Very low | 39 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 80% | 0.798 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 128 | -179.9 | -49.8 | 0 | 0 | 0 | 0 | 111.1 | ||
| 204 | P | 41.8 | Very low | 39.3 | Very low | 104 Ų | 104 | 141.9 Ų | 141.9 | 68% | 0.675 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 131.8 | 169.6 | 29.5 | -32.8 | 0 | 0 | 0 | 110.3 | ||
| 205 | P | 39.9 | Very low | 39.2 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 154.7 | -176.9 | 28.8 | -34.9 | 0 | 0 | 0 | 113.1 | G207 | P205-G207 PolarHBondContact O-N 2.89Š|
| 206 | L | 44.6 | Very low | 38.8 | Very low | 173 Ų | 173 | 145.7 Ų | 145.7 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -73.9 | 57.3 | -179.6 | -67.1 | 116.9 | 0 | 0 | 0 | 113.3 | ||
| 207 | G | 42.6 | Very low | 38.2 | Very low | 71 Ų | 71 | 143.7 Ų | 143.7 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | trans | -92.7 | -3.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | P205 | P205-G207 PolarHBondContact O-N 2.89Š| ||
| 208 | W | 39.3 | Very low | 38 | Very low | 224 Ų | 224 | 146.9 Ų | 146.9 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -124.1 | 10.6 | -159.9 | 48.4 | -67.7 | 0 | 0 | 0 | 116.5 | ||
| 209 | I | 41.5 | Very low | 37.7 | Very low | 133 Ų | 133 | 152.2 Ų | 152.2 | 68% | 0.682 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -97.4 | -7.5 | -179 | -73.5 | 174.9 | 0 | 0 | 0 | 113.7 | ||
| 210 | F | 36.6 | Very low | 37.1 | Very low | 196 Ų | 196 | 150.7 Ų | 150.7 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -123.3 | 91.1 | 180 | -86.3 | -85.7 | 0 | 0 | 0 | 114.5 | ||||
| 211 | K | 32.1 | Very low | 37.1 | Very low | 203 Ų | 203 | 154.2 Ų | 154.2 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -164.7 | 156.6 | 134.7 | -106.6 | 159.5 | -173.7 | 176.3 | 0 | 111.2 | ||
| 212 | P | 38.9 | Very low | 36.4 | Very low | 119 Ų | 119 | 148.9 Ų | 148.9 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -83.6 | 158.4 | -150.4 | 31.8 | -37.1 | 0 | 0 | 0 | 115.4 | S214 | P212-S214 PolarHBondContact O-N 2.91Å; P212-S214 VanDerWaalsContact O-N 3.12Å | ||
| 213 | W | 35.4 | Very low | 36.2 | Very low | 254 Ų | 254 | 146.1 Ų | 146.1 | 96% | 0.962 | 79% | 0.789 | S | S | * | * | trans | -67 | 100.3 | -179 | -169.7 | 68.7 | 0 | 0 | 0 | 112.4 | ||||
| 214 | S | 41 | Very low | 36.2 | Very low | 103 Ų | 103 | 147.1 Ų | 147.1 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | trans | -146.3 | 142.4 | 161.1 | -173.3 | 0 | 0 | 0 | 0 | 108.6 | P212 | P212-S214 PolarHBondContact O-N 2.91Å; P212-S214 VanDerWaalsContact O-N 3.12Å | ||
| 215 | H | 37.1 | Very low | 35.8 | Very low | 178 Ų | 178 | 148.1 Ų | 148.1 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | 58.2 | 87.9 | -175.9 | -109.6 | -112.4 | 0 | 0 | 0 | 115.6 | ||||
| 216 | F | 27.8 | Very low | 35.4 | Very low | 188 Ų | 188 | 146.4 Ų | 146.4 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | -154.1 | 146.1 | 109.7 | -131.1 | -94.6 | 0 | 0 | 0 | 112 | |||||
| 217 | C | 29.9 | Very low | 35 | Very low | 96 Ų | 96 | 146.9 Ų | 146.9 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | trans | -126 | 151.5 | -178.1 | -122.5 | 0 | 0 | 0 | 0 | 110.4 | H219 | C217-H219 PolarHBondContact O-N 2.78Š| ||
| 218 | N | 35 | Very low | 34.4 | Very low | 150 Ų | 150 | 152.6 Ų | 152.6 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 36.8 | 64.8 | 148.6 | -61.5 | -35.1 | 0 | 0 | 0 | 118.8 | ||
| 219 | H | 33.3 | Very low | 34 | Very low | 180 Ų | 180 | 145.7 Ų | 145.7 | 83% | 0.833 | 77% | 0.766 | S | S | * | * | trans | -162.4 | 109.7 | 139.1 | -128.9 | -98.1 | 0 | 0 | 0 | 112.9 | C217 | C217-H219 PolarHBondContact O-N 2.78Š| ||
| 220 | C | 27.2 | Very low | 33.5 | Very low | 130 Ų | 130 | 147.4 Ų | 147.4 | 88% | 0.878 | 77% | 0.769 | S | S | * | * | trans | -171 | 139 | 147.6 | -119.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 221 | V | 32.6 | Very low | 33.4 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 84% | 0.842 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 138.9 | 177.6 | 175.3 | 0 | 0 | 0 | 0 | 109.7 | P223 | V221-P223 WeakPolarHBondContact O-CD 3.4Š|
| 222 | A | 28.8 | Very low | 33.5 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 72% | 0.719 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 122.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 223 | P | 33.2 | Very low | 33.2 | Very low | 102 Ų | 102 | 132.4 Ų | 132.4 | 66% | 0.662 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 138.9 | 159.8 | 32.1 | -32.3 | 0 | 0 | 0 | 109.8 | V221 I225 | V221-P223 WeakPolarHBondContact O-CD 3.4Å; P223-I225 VanDerWaalsContact C-N 3.29Å; P223-I225 PolarHBondContact O-N 2.72Å |
| 224 | T | 40.5 | Very low | 33.4 | Very low | 151 Ų | 151 | 126.5 Ų | 126.5 | 93% | 0.926 | 70% | 0.702 | S | S | * | * | trans | -79 | 71.5 | -178.4 | 50.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 225 | I | 33.8 | Very low | 33.3 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 64% | 0.641 | 70% | 0.699 | S | S | * | * | trans | -97.9 | 140.3 | 172.3 | -62.2 | 178.2 | 0 | 0 | 0 | 109.6 | P223 K227 | P223-I225 VanDerWaalsContact C-N 3.29Å; P223-I225 PolarHBondContact O-N 2.72Å; I225-K227 PolarHBondContact O-N 3.18Å | ||
| 226 | S | 31.5 | Very low | 33.2 | Very low | 73 Ų | 73 | 121.6 Ų | 121.6 | 51% | 0.51 | 68% | 0.681 | S | S | . | * | trans | -59.9 | 125.1 | -172.8 | -178 | 0 | 0 | 0 | 0 | 112.6 | Y228 S229 | S226-Y228 PolarHBondContact O-N 3.28Å; S226-S229 PolarHBondContact O-N 2.92Å | ||
| 227 | K | 36.7 | Very low | 33.7 | Very low | 182 Ų | 182 | 118.3 Ų | 118.3 | 79% | 0.791 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -56.2 | -26.1 | -178.7 | -62.9 | 179.4 | -179.5 | 175.8 | 0 | 113.3 | I225 C231 | I225-K227 PolarHBondContact O-N 3.18Å; K227-C231 PolarHBondContact O-SG 3.21Å; K227-C231 VanDerWaalsContact O-SG 3.35Å |
| 228 | Y | 30.7 | Very low | 34.3 | Very low | 192 Ų | 192 | 116.4 Ų | 116.4 | 75% | 0.753 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -69.6 | -32.2 | 177.9 | -70.8 | -81.6 | 0 | 0 | 0 | 113.7 | S226 C231 S232 | S226-Y228 PolarHBondContact O-N 3.28Å; Y228-C231 PolarHBondContact O-N 3.13Å; Y228-S232 PolarHBondContact O-N 3.3Å |
| 229 | S | 31 | Very low | 34.3 | Very low | 78 Ų | 78 | 117.5 Ų | 117.5 | 55% | 0.545 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -68.3 | -43.2 | -175.7 | -167.4 | 0 | 0 | 0 | 0 | 112 | S226 C231 S232 A233 | S226-S229 PolarHBondContact O-N 2.92Å; S229-C231 VanDerWaalsContact C-N 3.32Å; S229-C231 PolarHBondContact O-N 2.9Å; S229-S232 PolarHBondContact O-N 3.07Å; S229-A233 PolarHBondContact O-N 2.64Å |
| 230 | F | 31.4 | Very low | 34.4 | Very low | 170 Ų | 170 | 113 Ų | 113 | 75% | 0.746 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.4 | -33.9 | 176.9 | -121 | -88.4 | 0 | 0 | 0 | 112.6 | H234 | F230-H234 WeakPolarHBondContact O-CB 3.27Å; F230-H234 PolarHBondContact O-N 3.38Å |
| 231 | C | 32.8 | Very low | 34.8 | Very low | 64 Ų | 64 | 115.3 Ų | 115.3 | 43% | 0.432 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -64.7 | -44.8 | 176.6 | -69 | 0 | 0 | 0 | 0 | 112.3 | K227 Y228 S229 H234 L235 | K227-C231 PolarHBondContact O-SG 3.21Å; K227-C231 VanDerWaalsContact O-SG 3.35Å; Y228-C231 PolarHBondContact O-N 3.13Å; S229-C231 VanDerWaalsContact C-N 3.32Å; S229-C231 PolarHBondContact O-N 2.9Å; C231-H234 PolarHBondContact O-N 3.07Å; C231-L235 WeakPolarHBondContact O-CB 3.41Å; C231-L235 WeakPolarHBondContact O-CG 3.34Å; C231-L235 PolarHBondContact O-N 3.12Å |
| 232 | S | 34 | Very low | 34.8 | Very low | 81 Ų | 81 | 113.8 Ų | 113.8 | 57% | 0.566 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.6 | -40.7 | -179.7 | -62.5 | 0 | 0 | 0 | 0 | 112.8 | Y228 S229 L235 A236 | Y228-S232 PolarHBondContact O-N 3.3Å; S229-S232 PolarHBondContact O-N 3.07Å; S232-L235 PolarHBondContact O-N 3.1Å; S232-A236 WeakPolarHBondContact O-CB 3.49Å; S232-A236 PolarHBondContact O-N 3.36Å |
| 233 | A | 34.4 | Very low | 35.4 | Very low | 58 Ų | 58 | 116.3 Ų | 116.3 | 48% | 0.479 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.6 | -40.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S229 A236 L237 | S229-A233 PolarHBondContact O-N 2.64Å; A233-A236 PolarHBondContact O-N 3.18Å; A233-L237 PolarHBondContact O-N 3.06Å; A233-L237 VanDerWaalsContact O-N 3.13Å |
| 234 | H | 37.8 | Very low | 35.4 | Very low | 130 Ų | 130 | 118.8 Ų | 118.8 | 60% | 0.602 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.1 | -39.2 | 178.3 | -153.1 | -128.1 | 0 | 0 | 0 | 111.9 | F230 C231 V238 | F230-H234 WeakPolarHBondContact O-CB 3.27Å; F230-H234 PolarHBondContact O-N 3.38Å; C231-H234 PolarHBondContact O-N 3.07Å; H234-V238 WeakPolarHBondContact O-CG2 3.46Å; H234-V238 PolarHBondContact O-N 3.08Å; H234-V238 VanDerWaalsContact O-N 3.12Å |
| 235 | L | 39.6 | Very low | 35.1 | Very low | 123 Ų | 123 | 119.4 Ų | 119.4 | 64% | 0.644 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.6 | -39.7 | 171.8 | -75.7 | 166.9 | 0 | 0 | 0 | 112.1 | C231 S232 V238 Y239 | C231-L235 WeakPolarHBondContact O-CB 3.41Å; C231-L235 WeakPolarHBondContact O-CG 3.34Å; C231-L235 PolarHBondContact O-N 3.12Å; S232-L235 PolarHBondContact O-N 3.1Å; L235-V238 PolarHBondContact O-N 3.39Å; L235-Y239 WeakPolarHBondContact O-CB 3.13Å; L235-Y239 PolarHBondContact O-N 3.34Å |
| 236 | A | 34.4 | Very low | 35.5 | Very low | 54 Ų | 54 | 119.8 Ų | 119.8 | 45% | 0.446 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66.2 | -42.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S232 A233 V238 Y239 S240 | S232-A236 WeakPolarHBondContact O-CB 3.49Å; S232-A236 PolarHBondContact O-N 3.36Å; A233-A236 PolarHBondContact O-N 3.18Å; A236-V238 VanDerWaalsContact C-N 3.34Å; A236-V238 PolarHBondContact O-N 3.29Å; A236-Y239 VanDerWaalsContact O-CB 3.31Å; A236-Y239 WeakPolarHBondContact O-CB 3.49Å; A236-Y239 PolarHBondContact O-N 2.93Å; A236-Y239 VanDerWaalsContact O-N 3.11Å; A236-S240 PolarHBondContact O-N 3.02Å; A236-S240 PolarHBondContact O-OG 3.39Å |
| 237 | L | 39.5 | Very low | 35.6 | Very low | 119 Ų | 119 | 120 Ų | 120 | 62% | 0.623 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.8 | -37.7 | 174.9 | -73.7 | 170.3 | 0 | 0 | 0 | 112.2 | A233 Y239 S240 Y241 | A233-L237 PolarHBondContact O-N 3.06Å; A233-L237 VanDerWaalsContact O-N 3.13Å; L237-Y239 VanDerWaalsContact C-N 3.33Å; L237-S240 PolarHBondContact O-N 3.25Å; L237-Y241 PolarHBondContact O-N 2.91Å |
| 238 | V | 43 | Very low | 35.8 | Very low | 56 Ų | 56 | 116.9 Ų | 116.9 | 34% | 0.339 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.1 | -37.2 | 170.7 | 171.5 | 0 | 0 | 0 | 0 | 111 | H234 L235 A236 S240 Y241 M242 | H234-V238 WeakPolarHBondContact O-CG2 3.46Å; H234-V238 PolarHBondContact O-N 3.08Å; H234-V238 VanDerWaalsContact O-N 3.12Å; L235-V238 PolarHBondContact O-N 3.39Å; A236-V238 VanDerWaalsContact C-N 3.34Å; A236-V238 PolarHBondContact O-N 3.29Å; V238-S240 VanDerWaalsContact C-N 3.32Å; V238-S240 PolarHBondContact O-N 3.32Å; V238-Y241 CarbonylContact O-C 3.6Å; V238-Y241 PolarHBondContact O-N 3.28Å; V238-Y241 VanDerWaalsContact O-N 3.11Å; V238-M242 HydrophobicContact CG1-CE 3.95Å; V238-M242 HydrophobicContact CG1-CG 4.04Å; V238-M242 WeakPolarHBondContact O-CG 3.44Å; V238-M242 PolarHBondContact O-N 3.16Å |
| 239 | Y | 35.2 | Very low | 35.9 | Very low | 174 Ų | 174 | 114 Ų | 114 | 68% | 0.682 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.3 | -36.2 | 176.8 | -152.7 | -87.4 | 0 | 0 | 0 | 112.5 | L235 A236 L237 Y241 M242 | L235-Y239 WeakPolarHBondContact O-CB 3.13Å; L235-Y239 PolarHBondContact O-N 3.34Å; A236-Y239 VanDerWaalsContact O-CB 3.31Å; A236-Y239 WeakPolarHBondContact O-CB 3.49Å; A236-Y239 PolarHBondContact O-N 2.93Å; A236-Y239 VanDerWaalsContact O-N 3.11Å; L237-Y239 VanDerWaalsContact C-N 3.33Å; Y239-Y241 VanDerWaalsContact C-N 3.34Å; Y239-M242 PolarHBondContact O-N 3.46Å |
| 240 | S | 34.2 | Very low | 36.4 | Very low | 86 Ų | 86 | 112.8 Ų | 112.8 | 60% | 0.601 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.4 | -31.4 | 172.3 | -61.2 | 0 | 0 | 0 | 0 | 113.3 | A236 L237 V238 | A236-S240 PolarHBondContact O-N 3.02Å; A236-S240 PolarHBondContact O-OG 3.39Å; L237-S240 PolarHBondContact O-N 3.25Å; V238-S240 VanDerWaalsContact C-N 3.32Å; V238-S240 PolarHBondContact O-N 3.32Å |
| 241 | Y | 36.4 | Very low | 36.8 | Very low | 178 Ų | 178 | 108 Ų | 108 | 70% | 0.698 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -77.9 | -34.7 | 172.9 | -96.5 | -88.3 | 0 | 0 | 0 | 113.1 | L237 V238 Y239 L243 F244 | L237-Y241 PolarHBondContact O-N 2.91Å; V238-Y241 CarbonylContact O-C 3.6Å; V238-Y241 PolarHBondContact O-N 3.28Å; V238-Y241 VanDerWaalsContact O-N 3.11Å; Y239-Y241 VanDerWaalsContact C-N 3.34Å; Y241-L243 PolarHBondContact O-N 3.49Å; Y241-F244 PolarHBondContact O-N 3.01Å |
| 242 | M | 33 | Very low | 37.1 | Very low | 107 Ų | 107 | 112.9 Ų | 112.9 | 53% | 0.527 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.9 | -14.3 | 179.2 | -75.5 | -81.2 | -170.5 | 0 | 0 | 114.2 | V238 Y239 V250 | V238-M242 HydrophobicContact CG1-CE 3.95Å; V238-M242 HydrophobicContact CG1-CG 4.04Å; V238-M242 WeakPolarHBondContact O-CG 3.44Å; V238-M242 PolarHBondContact O-N 3.16Å; Y239-M242 PolarHBondContact O-N 3.46Å; M242-V250 HydrophobicContact CE-CG1 3.96Å; M242-V250 HydrophobicContact SD-CG1 3.79Å |
| 243 | L | 41.4 | Very low | 37.5 | Very low | 139 Ų | 139 | 113 Ų | 113 | 73% | 0.728 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | 0.8 | 176.9 | -78.6 | 168.2 | 0 | 0 | 0 | 114 | Y241 | Y241-L243 PolarHBondContact O-N 3.49Š|
| 244 | F | 32.3 | Very low | 37.9 | Very low | 155 Ų | 155 | 111.5 Ų | 111.5 | 68% | 0.68 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -134.7 | 125.4 | -179.9 | -139.7 | -98.2 | 0 | 0 | 0 | 114.2 | Y241 | Y241-F244 PolarHBondContact O-N 3.01Š|
| 245 | E | 34 | Very low | 38.2 | Very low | 164 Ų | 164 | 107.6 Ų | 107.6 | 77% | 0.766 | 57% | 0.565 | S | S | * | * | trans | 62.2 | 143 | 171.4 | -74.5 | 177.1 | 122.5 | 0 | 0 | 119.8 | D247 | E245-D247 PolarHBondContact O-N 3.44Å; E245-D247 VanDerWaalsContact O-N 3.12Å | ||
| 246 | S | 42.3 | Very low | 38.3 | Very low | 132 Ų | 132 | 105.9 Ų | 105.9 | 92% | 0.923 | 55% | 0.553 | S | S | * | * | trans | -88.2 | 65.3 | -171.1 | 56.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 247 | D | 34.7 | Very low | 39 | Very low | 78 Ų | 78 | 107.6 Ų | 107.6 | 42% | 0.417 | 55% | 0.554 | S | S | . | * | trans | -108 | 132.6 | -179.8 | -160.5 | -0.2 | 0 | 0 | 0 | 114.1 | E245 Q249 V250 | E245-D247 PolarHBondContact O-N 3.44Å; E245-D247 VanDerWaalsContact O-N 3.12Å; D247-Q249 PolarHBondContact O-N 3.39Å; D247-Q249 VanDerWaalsContact O-N 3.07Å; D247-Q249 PolarHBondContact OD2-NE2 3.3Å; D247-V250 PolarHBondContact O-N 2.93Å | ||
| 248 | T | 39.3 | Very low | 39.5 | Very low | 116 Ų | 116 | 104.9 Ų | 104.9 | 71% | 0.712 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -56.8 | -22.8 | -177 | 59 | 0 | 0 | 0 | 0 | 114.2 | V250 A251 W252 | T248-V250 PolarHBondContact O-N 3.41Å; T248-A251 PolarHBondContact O-N 3.16Å; T248-W252 PolarHBondContact O-N 2.98Å |
| 249 | Q | 33.8 | Very low | 39.5 | Very low | 131 Ų | 131 | 103 Ų | 103 | 61% | 0.612 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.9 | -34.4 | -179.7 | -59 | -174.9 | 80.1 | 0 | 0 | 112.5 | D247 A251 W252 V253 | D247-Q249 PolarHBondContact O-N 3.39Å; D247-Q249 VanDerWaalsContact O-N 3.07Å; D247-Q249 PolarHBondContact OD2-NE2 3.3Å; Q249-A251 PolarHBondContact O-N 3.19Å; Q249-W252 WeakPolarHBondContact O-CB 3.42Å; Q249-W252 PolarHBondContact O-N 3.5Å; Q249-W252 VanDerWaalsContact O-N 3.13Å; Q249-V253 PolarHBondContact O-N 2.92Å; Q249-V253 VanDerWaalsContact O-N 3.09Å |
| 250 | V | 41.5 | Very low | 39.9 | Very low | 54 Ų | 54 | 98.3 Ų | 98.3 | 33% | 0.327 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 179.6 | -176.6 | 0 | 0 | 0 | 0 | 110.9 | M242 D247 T248 W252 V253 A254 | M242-V250 HydrophobicContact CE-CG1 3.96Å; M242-V250 HydrophobicContact SD-CG1 3.79Å; D247-V250 PolarHBondContact O-N 2.93Å; T248-V250 PolarHBondContact O-N 3.41Å; V250-W252 VanDerWaalsContact C-N 3.27Å; V250-W252 PolarHBondContact O-N 3.39Å; V250-V253 PolarHBondContact O-N 3.31Å; V250-A254 PolarHBondContact O-N 3.07Å |
| 251 | A | 39.7 | Very low | 40.3 | Very low | 68 Ų | 68 | 102.1 Ų | 102.1 | 56% | 0.562 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.2 | -32.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T248 Q249 F255 | T248-A251 PolarHBondContact O-N 3.16Å; Q249-A251 PolarHBondContact O-N 3.19Å; A251-F255 WeakPolarHBondContact O-CB 3.23Å; A251-F255 PolarHBondContact O-N 2.89Å |
| 252 | W | 39.3 | Very low | 40.6 | Very low | 167 Ų | 167 | 96.3 Ų | 96.3 | 63% | 0.633 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -72 | -40.3 | 178 | -159.8 | 94.1 | 0 | 0 | 0 | 112.5 | T248 Q249 V250 F255 E256 | T248-W252 PolarHBondContact O-N 2.98Å; Q249-W252 WeakPolarHBondContact O-CB 3.42Å; Q249-W252 PolarHBondContact O-N 3.5Å; Q249-W252 VanDerWaalsContact O-N 3.13Å; V250-W252 VanDerWaalsContact C-N 3.27Å; V250-W252 PolarHBondContact O-N 3.39Å; W252-F255 WeakPolarHBondContact O-CB 3.16Å; W252-F255 PolarHBondContact O-N 3.04Å; W252-E256 HydrophobicContact CE3-CG 4.18Å; W252-E256 HydrophobicContact CH2-CG 4.05Å; W252-E256 HydrophobicContact CZ3-CG 3.85Å; W252-E256 PolarHBondContact O-N 3.46Å |
| 253 | V | 41 | Very low | 40.9 | Very low | 83 Ų | 83 | 96 Ų | 96 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.8 | -42 | 174.4 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | Q249 V250 F255 E256 I257 | Q249-V253 PolarHBondContact O-N 2.92Å; Q249-V253 VanDerWaalsContact O-N 3.09Å; V250-V253 PolarHBondContact O-N 3.31Å; V253-F255 VanDerWaalsContact C-N 3.33Å; V253-F255 PolarHBondContact O-N 3.21Å; V253-E256 PolarHBondContact O-N 2.92Å; V253-I257 HydrophobicContact CG1-CD1 4.27Å; V253-I257 WeakPolarHBondContact O-CG1 3.41Å; V253-I257 PolarHBondContact O-N 2.97Å |
| 254 | A | 44.5 | Very low | 40.9 | Very low | 27 Ų | 27 | 100.2 Ų | 100.2 | 22% | 0.223 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V250 E256 I257 I258 | V250-A254 PolarHBondContact O-N 3.07Å; A254-E256 PolarHBondContact O-N 3.46Å; A254-I257 PolarHBondContact O-N 3Å; A254-I258 WeakPolarHBondContact O-CB 3.31Å; A254-I258 WeakPolarHBondContact O-CD1 3.34Å; A254-I258 VanDerWaalsContact O-CG1 3.23Å; A254-I258 WeakPolarHBondContact O-CG1 3.4Å; A254-I258 PolarHBondContact O-N 3.44Å |
| 255 | F | 42.9 | Very low | 41.4 | Very low | 48 Ų | 48 | 97.8 Ų | 97.8 | 21% | 0.211 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -58 | -45.8 | 175.6 | 166.7 | -104 | 0 | 0 | 0 | 112.6 | A251 W252 V253 I258 N259 R279 | A251-F255 WeakPolarHBondContact O-CB 3.23Å; A251-F255 PolarHBondContact O-N 2.89Å; W252-F255 WeakPolarHBondContact O-CB 3.16Å; W252-F255 PolarHBondContact O-N 3.04Å; V253-F255 VanDerWaalsContact C-N 3.33Å; V253-F255 PolarHBondContact O-N 3.21Å; F255-I258 PolarHBondContact O-N 3.23Å; F255-N259 WeakPolarHBondContact CD1-ND2 3.44Å; F255-N259 WeakPolarHBondContact CE1-ND2 3.38Å; F255-N259 WeakPolarHBondContact CE2-ND2 3.37Å; F255-N259 WeakPolarHBondContact CE2-OD1 3.38Å; F255-N259 WeakPolarHBondContact CZ-ND2 3.45Å; F255-N259 WeakPolarHBondContact O-CB 3.45Å; F255-N259 PolarHBondContact O-N 3.35Å; F255-N259 PolarHBondContact O-ND2 3.1Å; F255-N259 PolarHBondContact O-OD1 3.37Å; F255-R279 HydrophobicContact CE2-CG 4.26Å |
| 256 | E | 41.4 | Very low | 41.6 | Very low | 87 Ų | 87 | 94.8 Ų | 94.8 | 41% | 0.407 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.2 | -37.7 | 177.9 | -81.4 | -57.2 | 108.2 | 0 | 0 | 113.7 | W252 V253 A254 N259 S260 | W252-E256 HydrophobicContact CE3-CG 4.18Å; W252-E256 HydrophobicContact CH2-CG 4.05Å; W252-E256 HydrophobicContact CZ3-CG 3.85Å; W252-E256 PolarHBondContact O-N 3.46Å; V253-E256 PolarHBondContact O-N 2.92Å; A254-E256 PolarHBondContact O-N 3.46Å; E256-N259 PolarHBondContact O-N 3.24Å; E256-N259 PolarHBondContact OE1-ND2 3.29Å; E256-S260 WeakPolarHBondContact O-CB 3.46Å; E256-S260 PolarHBondContact O-N 3.08Å |
| 257 | I | 49.5 | Very low | 41.2 | Very low | 90 Ų | 90 | 93.4 Ų | 93.4 | 46% | 0.462 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 173.4 | -65.6 | 168.9 | 0 | 0 | 0 | 110 | V253 A254 N259 S260 Y261 | V253-I257 HydrophobicContact CG1-CD1 4.27Å; V253-I257 WeakPolarHBondContact O-CG1 3.41Å; V253-I257 PolarHBondContact O-N 2.97Å; A254-I257 PolarHBondContact O-N 3Å; I257-N259 PolarHBondContact O-N 2.97Å; I257-S260 WeakPolarHBondContact O-CB 3.32Å; I257-S260 PolarHBondContact O-N 3.2Å; I257-Y261 HydrophobicContact CG2-CD2 4Å; I257-Y261 HydrophobicContact CG2-CE2 4.11Å; I257-Y261 WeakPolarHBondContact O-CD2 3.42Å; I257-Y261 PolarHBondContact O-N 3.19Å |
| 258 | I | 50.1 | Low | 41.6 | Very low | 63 Ų | 63 | 95.1 Ų | 95.1 | 32% | 0.323 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 178.2 | -67.8 | 165.4 | 0 | 0 | 0 | 111.2 | A254 F255 S260 Y261 L262 V289 | A254-I258 WeakPolarHBondContact O-CB 3.31Å; A254-I258 WeakPolarHBondContact O-CD1 3.34Å; A254-I258 VanDerWaalsContact O-CG1 3.23Å; A254-I258 WeakPolarHBondContact O-CG1 3.4Å; A254-I258 PolarHBondContact O-N 3.44Å; F255-I258 PolarHBondContact O-N 3.23Å; I258-S260 VanDerWaalsContact C-N 3.33Å; I258-S260 PolarHBondContact O-N 2.92Å; I258-Y261 PolarHBondContact O-N 2.88Å; I258-L262 HydrophobicContact CG2-CD1 4.01Å; I258-L262 WeakPolarHBondContact O-CD1 3.4Å; I258-L262 PolarHBondContact O-N 3.34Å; I258-V289 HydrophobicContact CD1-CG1 3.73Å |
| 259 | N | 42.8 | Very low | 41.9 | Very low | 17 Ų | 17 | 99.2 Ų | 99.2 | 9% | 0.091 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -58.9 | -42.7 | 175.2 | -69.6 | -24 | 0 | 0 | 0 | 112.3 | F255 E256 I257 N263 W275 | F255-N259 WeakPolarHBondContact CD1-ND2 3.44Å; F255-N259 WeakPolarHBondContact CE1-ND2 3.38Å; F255-N259 WeakPolarHBondContact CE2-ND2 3.37Å; F255-N259 WeakPolarHBondContact CE2-OD1 3.38Å; F255-N259 WeakPolarHBondContact CZ-ND2 3.45Å; F255-N259 WeakPolarHBondContact O-CB 3.45Å; F255-N259 PolarHBondContact O-N 3.35Å; F255-N259 PolarHBondContact O-ND2 3.1Å; F255-N259 PolarHBondContact O-OD1 3.37Å; E256-N259 PolarHBondContact O-N 3.24Å; E256-N259 PolarHBondContact OE1-ND2 3.29Å; I257-N259 PolarHBondContact O-N 2.97Å; N259-N263 WeakPolarHBondContact O-CB 3.42Å; N259-N263 PolarHBondContact O-N 3.46Å; N259-N263 PolarHBondContact O-ND2 3.16Å; N259-N263 VanDerWaalsContact O-ND2 3.13Å; N259-W275 VanDerWaalsContact OD1-CH2 3.3Å; N259-W275 WeakPolarHBondContact OD1-CH2 3.46Å |
| 260 | S | 44.3 | Very low | 42 | Very low | 75 Ų | 75 | 95.8 Ų | 95.8 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.4 | -44 | 179.1 | -172 | 0 | 0 | 0 | 0 | 112 | E256 I257 I258 | E256-S260 WeakPolarHBondContact O-CB 3.46Å; E256-S260 PolarHBondContact O-N 3.08Å; I257-S260 WeakPolarHBondContact O-CB 3.32Å; I257-S260 PolarHBondContact O-N 3.2Å; I258-S260 VanDerWaalsContact C-N 3.33Å; I258-S260 PolarHBondContact O-N 2.92Å |
| 261 | Y | 41.3 | Very low | 42.3 | Very low | 166 Ų | 166 | 98.4 Ų | 98.4 | 65% | 0.651 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68 | -40.7 | 176.6 | -88.8 | -90.2 | 0 | 0 | 0 | 113.1 | I257 I258 R264 | I257-Y261 HydrophobicContact CG2-CD2 4Å; I257-Y261 HydrophobicContact CG2-CE2 4.11Å; I257-Y261 WeakPolarHBondContact O-CD2 3.42Å; I257-Y261 PolarHBondContact O-N 3.19Å; I258-Y261 PolarHBondContact O-N 2.88Å; Y261-R264 PolarHBondContact O-N 3.38Å |
| 262 | L | 42.7 | Very low | 42.9 | Very low | 56 Ų | 56 | 97.7 Ų | 97.7 | 29% | 0.293 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -72.1 | -39.3 | 179.6 | -93.6 | 71.8 | 0 | 0 | 0 | 113.1 | I258 R264 S265 | I258-L262 HydrophobicContact CG2-CD1 4.01Å; I258-L262 WeakPolarHBondContact O-CD1 3.4Å; I258-L262 PolarHBondContact O-N 3.34Å; L262-R264 PolarHBondContact O-N 3.03Å; L262-S265 PolarHBondContact O-N 3.45Å |
| 263 | N | 40.3 | Very low | 43.1 | Very low | 100 Ų | 100 | 91.2 Ų | 91.2 | 54% | 0.535 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.5 | -30.9 | 176.2 | -98.5 | -67 | 0 | 0 | 0 | 112.7 | N259 S265 | N259-N263 WeakPolarHBondContact O-CB 3.42Å; N259-N263 PolarHBondContact O-N 3.46Å; N259-N263 PolarHBondContact O-ND2 3.16Å; N259-N263 VanDerWaalsContact O-ND2 3.13Å; N263-S265 VanDerWaalsContact C-N 3.28Å; N263-S265 PolarHBondContact O-N 2.98Å |
| 264 | R | 42.1 | Very low | 43.3 | Very low | 227 Ų | 227 | 92.8 Ų | 92.8 | 86% | 0.857 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -13.1 | -175 | -151.6 | 171 | -171.3 | 107.9 | 4.4 | 114.1 | Y261 L262 | Y261-R264 PolarHBondContact O-N 3.38Å; L262-R264 PolarHBondContact O-N 3.03Å |
| 265 | S | 42.5 | Very low | 43.8 | Very low | 105 Ų | 105 | 95.3 Ų | 95.3 | 73% | 0.734 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.5 | -10.8 | -167.4 | -61.7 | 0 | 0 | 0 | 0 | 115.6 | L262 N263 | L262-S265 PolarHBondContact O-N 3.45Å; N263-S265 VanDerWaalsContact C-N 3.28Å; N263-S265 PolarHBondContact O-N 2.98Å |
| 266 | V | 36.8 | Very low | 44.4 | Very low | 101 Ų | 101 | 96.7 Ų | 96.7 | 61% | 0.612 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -133.8 | 133.4 | 178.5 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | I268 | V266-I268 PolarHBondContact O-N 3Š|
| 267 | S | 35.7 | Very low | 45 | Very low | 102 Ų | 102 | 94.4 Ų | 94.4 | 71% | 0.713 | 48% | 0.475 | S | S | * | . | trans | -45.6 | 124.2 | 179.3 | -172.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 268 | I | 43 | Very low | 45.6 | Very low | 114 Ų | 114 | 93 Ų | 93 | 59% | 0.585 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 150.3 | -171.2 | -70.4 | 165.2 | 0 | 0 | 0 | 112.9 | V266 | V266-I268 PolarHBondContact O-N 3Š|
| 269 | R | 44.4 | Very low | 46 | Very low | 203 Ų | 203 | 94.4 Ų | 94.4 | 77% | 0.766 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 24.9 | 169.5 | -80.5 | 179.6 | -72.4 | 176.7 | -3.8 | 118.3 | ||
| 270 | L | 35.5 | Very low | 46.7 | Very low | 58 Ų | 58 | 95.6 Ų | 95.6 | 30% | 0.304 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -98.9 | 0.8 | 179.8 | -140.9 | 80.7 | 0 | 0 | 0 | 117.4 | Y343 | L270-Y343 HydrophobicContact CD1-CD1 3.6Å; L270-Y343 HydrophobicContact CD1-CD2 3.8Å; L270-Y343 HydrophobicContact CD1-CE1 3.61Å; L270-Y343 HydrophobicContact CD1-CE2 3.8Å; L270-Y343 HydrophobicContact CD1-CG 3.69Å; L270-Y343 HydrophobicContact CD2-CE1 4.38Å; L270-Y343 HydrophobicContact CG-CD1 4Å; L270-Y343 HydrophobicContact CG-CE1 3.58Å; L270-Y343 HydrophobicContact CG-CE2 4.37Å; L270-Y343 PolarHBondContact O-OH 3.37Å; L270-Y343 VanDerWaalsContact O-OH 3.07Å |
| 271 | K | 48.1 | Very low | 47.3 | Very low | 110 Ų | 110 | 92.3 Ų | 92.3 | 48% | 0.478 | 45% | 0.45 | S | S | . | . | trans | -151 | 30.5 | -165 | -58.7 | -170.6 | 176 | -174.3 | 0 | 118.8 | A273 I274 W275 | K271-A273 PolarHBondContact O-N 2.88Å; K271-I274 PolarHBondContact O-N 3.25Å; K271-W275 HydrophobicContact CB-CB 3.7Å; K271-W275 HydrophobicContact CD-CB 4.47Å; K271-W275 WeakPolarHBondContact O-CA 3.31Å; K271-W275 WeakPolarHBondContact O-CB 3.34Å; K271-W275 PolarHBondContact O-N 2.77Å | ||
| 272 | S | 52.5 | Low | 48 | Very low | 53 Ų | 53 | 85.6 Ų | 85.6 | 37% | 0.371 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -50.6 | -54.7 | -172.4 | -155.2 | 0 | 0 | 0 | 0 | 114.5 | K276 E326 | S272-K276 VanDerWaalsContact O-CB 3.29Å; S272-K276 WeakPolarHBondContact O-CB 3.4Å; S272-K276 WeakPolarHBondContact O-CD 3.48Å; S272-K276 VanDerWaalsContact O-CG 3.24Å; S272-K276 WeakPolarHBondContact O-CG 3.22Å; S272-K276 PolarHBondContact O-N 3.34Å; S272-K276 VanDerWaalsContact O-N 3.12Å; S272-E326 PolarHBondContact OG-OE1 3.11Å |
| 273 | A | 43.8 | Very low | 48.8 | Very low | 31 Ų | 31 | 88.9 Ų | 88.9 | 26% | 0.256 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.9 | -52.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K271 W275 K276 I277 E326 | K271-A273 PolarHBondContact O-N 2.88Å; A273-W275 VanDerWaalsContact C-N 3.3Å; A273-W275 PolarHBondContact O-N 2.89Å; A273-K276 PolarHBondContact O-N 3.46Å; A273-K276 VanDerWaalsContact O-N 3.09Å; A273-I277 WeakPolarHBondContact O-CG1 3.47Å; A273-I277 PolarHBondContact O-N 3.26Å; A273-E326 HydrophobicContact CB-CG 4.15Å |
| 274 | I | 46.1 | Very low | 49.3 | Very low | 116 Ų | 116 | 89.5 Ų | 89.5 | 60% | 0.595 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62.5 | -36.3 | -175.5 | -61.5 | 176.3 | 0 | 0 | 0 | 112 | K271 F278 | K271-I274 PolarHBondContact O-N 3.25Å; I274-F278 VanDerWaalsContact O-CB 3.26Å; I274-F278 WeakPolarHBondContact O-CB 3.39Å; I274-F278 PolarHBondContact O-N 3.3Å |
| 275 | W | 54.8 | Low | 50 | Low | 80 Ų | 80 | 80.9 Ų | 80.9 | 30% | 0.303 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -79.6 | -25.1 | 177.5 | -163.1 | 72 | 0 | 0 | 0 | 112.3 | N259 K271 A273 R279 | N259-W275 VanDerWaalsContact OD1-CH2 3.3Å; N259-W275 WeakPolarHBondContact OD1-CH2 3.46Å; K271-W275 HydrophobicContact CB-CB 3.7Å; K271-W275 HydrophobicContact CD-CB 4.47Å; K271-W275 WeakPolarHBondContact O-CA 3.31Å; K271-W275 WeakPolarHBondContact O-CB 3.34Å; K271-W275 PolarHBondContact O-N 2.77Å; A273-W275 VanDerWaalsContact C-N 3.3Å; A273-W275 PolarHBondContact O-N 2.89Å; W275-R279 WeakPolarHBondContact O-CB 3.46Å; W275-R279 PolarHBondContact O-N 3.33Å |
| 276 | K | 55 | Low | 50.6 | Low | 77 Ų | 77 | 79.1 Ų | 79.1 | 34% | 0.335 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -72.2 | -38.5 | 167.2 | -79.1 | 171.1 | 173.1 | 174.6 | 0 | 112.3 | S272 A273 R279 L280 E326 | S272-K276 VanDerWaalsContact O-CB 3.29Å; S272-K276 WeakPolarHBondContact O-CB 3.4Å; S272-K276 WeakPolarHBondContact O-CD 3.48Å; S272-K276 VanDerWaalsContact O-CG 3.24Å; S272-K276 WeakPolarHBondContact O-CG 3.22Å; S272-K276 PolarHBondContact O-N 3.34Å; S272-K276 VanDerWaalsContact O-N 3.12Å; A273-K276 PolarHBondContact O-N 3.46Å; A273-K276 VanDerWaalsContact O-N 3.09Å; K276-R279 PolarHBondContact O-N 2.86Å; K276-L280 WeakPolarHBondContact O-CB 3.48Å; K276-L280 WeakPolarHBondContact O-CD1 3.44Å; K276-L280 VanDerWaalsContact O-CG 3.26Å; K276-L280 WeakPolarHBondContact O-CG 3.26Å; K276-L280 PolarHBondContact O-N 3.09Å; K276-E326 VanDerWaalsContact CD-CD 3.44Å; K276-E326 HydrophobicContact CD-CG 3.99Å; K276-E326 WeakPolarHBondContact CD-OE1 3.37Å; K276-E326 WeakPolarHBondContact CD-OE2 3.44Å; K276-E326 IonicContact NZ-OE1 2.65Å; K276-E326 PolarHBondContact NZ-OE1 3.45Å; K276-E326 IonicContact NZ-OE2 2.74Å; K276-E326 PolarHBondContact NZ-OE2 3.06Å |
| 277 | I | 54.2 | Low | 51.2 | Low | 38 Ų | 38 | 80.6 Ų | 80.6 | 20% | 0.195 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.5 | -50.6 | 169.4 | -60.6 | 163.3 | 0 | 0 | 0 | 109.7 | A273 R279 L280 V281 W308 A323 | A273-I277 WeakPolarHBondContact O-CG1 3.47Å; A273-I277 PolarHBondContact O-N 3.26Å; I277-R279 VanDerWaalsContact C-N 3.33Å; I277-R279 PolarHBondContact O-N 3.49Å; I277-L280 PolarHBondContact O-N 2.91Å; I277-L280 VanDerWaalsContact O-N 3.1Å; I277-V281 HydrophobicContact CG2-CG2 4.31Å; I277-V281 WeakPolarHBondContact O-CG2 3.24Å; I277-V281 PolarHBondContact O-N 2.93Å; I277-W308 HydrophobicContact CG2-CZ3 3.98Å; I277-A323 HydrophobicContact CD1-CB 3.81Å; I277-A323 HydrophobicContact CG1-CB 4.18Å |
| 278 | F | 60.8 | Low | 51.9 | Low | 61 Ų | 61 | 76.1 Ų | 76.1 | 27% | 0.268 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -53.9 | -48.8 | 176.3 | -177 | -87.7 | 0 | 0 | 0 | 111.5 | I274 L280 V281 T282 F292 I304 | I274-F278 VanDerWaalsContact O-CB 3.26Å; I274-F278 WeakPolarHBondContact O-CB 3.39Å; I274-F278 PolarHBondContact O-N 3.3Å; F278-L280 PolarHBondContact O-N 2.74Å; F278-V281 PolarHBondContact O-N 3.49Å; F278-T282 HydrophobicContact CD1-CG2 4.27Å; F278-T282 HydrophobicContact CE1-CG2 4.03Å; F278-T282 HydrophobicContact CZ-CG2 4.37Å; F278-T282 WeakPolarHBondContact O-CG2 3.35Å; F278-T282 PolarHBondContact O-N 3.22Å; F278-T282 PolarHBondContact O-OG1 3.42Å; F278-F292 HydrophobicContact CZ-CE2 4.44Å; F278-I304 HydrophobicContact CD2-CD1 4.23Å; F278-I304 HydrophobicContact CD2-CG2 4.27Å; F278-I304 HydrophobicContact CE1-CD1 4.45Å; F278-I304 HydrophobicContact CE2-CD1 3.4Å; F278-I304 VanDerWaalsContact CE2-CD1 3.4Å; F278-I304 HydrophobicContact CE2-CG2 4.32Å; F278-I304 HydrophobicContact CZ-CD1 3.53Å |
| 279 | R | 59.9 | Low | 52.2 | Low | 92 Ų | 92 | 73.4 Ų | 73.4 | 35% | 0.347 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -53.7 | -51.5 | 173.5 | 173.7 | -174.7 | 173.9 | 173.6 | 2.8 | 111.5 | F255 W275 K276 I277 T282 Q283 | F255-R279 HydrophobicContact CE2-CG 4.26Å; W275-R279 WeakPolarHBondContact O-CB 3.46Å; W275-R279 PolarHBondContact O-N 3.33Å; K276-R279 PolarHBondContact O-N 2.86Å; I277-R279 VanDerWaalsContact C-N 3.33Å; I277-R279 PolarHBondContact O-N 3.49Å; R279-T282 WeakPolarHBondContact CA-OG1 3.35Å; R279-T282 CarbonylContact O-C 3.58Å; R279-T282 PolarHBondContact O-N 3Å; R279-T282 PolarHBondContact O-OG1 2.9Å; R279-Q283 WeakPolarHBondContact O-CB 3.42Å; R279-Q283 PolarHBondContact O-N 2.63Å |
| 280 | L | 57.2 | Low | 52.5 | Low | 43 Ų | 43 | 70 Ų | 70 | 23% | 0.225 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.3 | -42.4 | -178.8 | -77.2 | 162.9 | 0 | 0 | 0 | 112.5 | K276 I277 F278 Q283 H284 Y319 L322 | K276-L280 WeakPolarHBondContact O-CB 3.48Å; K276-L280 WeakPolarHBondContact O-CD1 3.44Å; K276-L280 VanDerWaalsContact O-CG 3.26Å; K276-L280 WeakPolarHBondContact O-CG 3.26Å; K276-L280 PolarHBondContact O-N 3.09Å; I277-L280 PolarHBondContact O-N 2.91Å; I277-L280 VanDerWaalsContact O-N 3.1Å; F278-L280 PolarHBondContact O-N 2.74Å; L280-Q283 PolarHBondContact O-N 2.62Å; L280-H284 PolarHBondContact O-N 3.12Å; L280-Y319 HydrophobicContact CB-CD1 4Å; L280-Y319 HydrophobicContact CB-CE1 3.71Å; L280-Y319 HydrophobicContact CD1-CD1 4.03Å; L280-Y319 HydrophobicContact CD1-CE1 4.31Å; L280-Y319 HydrophobicContact CG-CE1 4.41Å; L280-L322 HydrophobicContact CD1-CD2 3.67Å |
| 281 | V | 56.3 | Low | 53.2 | Low | 5 Ų | 5 | 70.9 Ų | 70.9 | 3% | 0.03 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63 | -49.8 | 174 | 174.8 | 0 | 0 | 0 | 0 | 110.2 | I277 F278 Q283 H284 F285 I304 W308 | I277-V281 HydrophobicContact CG2-CG2 4.31Å; I277-V281 WeakPolarHBondContact O-CG2 3.24Å; I277-V281 PolarHBondContact O-N 2.93Å; F278-V281 PolarHBondContact O-N 3.49Å; V281-Q283 PolarHBondContact O-N 2.84Å; V281-H284 PolarHBondContact O-N 3.47Å; V281-F285 HydrophobicContact CG1-CD2 3.98Å; V281-F285 HydrophobicContact CG1-CE2 4.09Å; V281-F285 WeakPolarHBondContact O-CD2 3.29Å; V281-F285 PolarHBondContact O-N 2.85Å; V281-F285 VanDerWaalsContact O-N 3.08Å; V281-I304 HydrophobicContact CG1-CG2 4.16Å; V281-W308 HydrophobicContact CG2-CE3 3.86Å; V281-W308 HydrophobicContact CG2-CZ3 4.27Å |
| 282 | T | 56.1 | Low | 53.5 | Low | 26 Ų | 26 | 69 Ų | 69 | 16% | 0.16 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.1 | -22.1 | 175.8 | 54.1 | 0 | 0 | 0 | 0 | 113.9 | F278 R279 F285 I304 | F278-T282 HydrophobicContact CD1-CG2 4.27Å; F278-T282 HydrophobicContact CE1-CG2 4.03Å; F278-T282 HydrophobicContact CZ-CG2 4.37Å; F278-T282 WeakPolarHBondContact O-CG2 3.35Å; F278-T282 PolarHBondContact O-N 3.22Å; F278-T282 PolarHBondContact O-OG1 3.42Å; R279-T282 WeakPolarHBondContact CA-OG1 3.35Å; R279-T282 CarbonylContact O-C 3.58Å; R279-T282 PolarHBondContact O-N 3Å; R279-T282 PolarHBondContact O-OG1 2.9Å; T282-F285 CarbonylContact O-C 3.42Å; T282-I304 HydrophobicContact CG2-CD1 3.78Å; T282-I304 HydrophobicContact CG2-CG1 4.45Å |
| 283 | Q | 59.3 | Low | 53.4 | Low | 124 Ų | 124 | 71 Ų | 71 | 58% | 0.579 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -80.8 | -34.4 | 176 | -178 | 177.1 | -17.6 | 0 | 0 | 112 | R279 L280 V281 | R279-Q283 WeakPolarHBondContact O-CB 3.42Å; R279-Q283 PolarHBondContact O-N 2.63Å; L280-Q283 PolarHBondContact O-N 2.62Å; V281-Q283 PolarHBondContact O-N 2.84Å |
| 284 | H | 51.5 | Low | 53.8 | Low | 113 Ų | 113 | 76.7 Ų | 76.7 | 52% | 0.523 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 168.4 | -104.5 | -120.6 | 0 | 0 | 0 | 111.3 | L280 V281 A286 Y319 | L280-H284 PolarHBondContact O-N 3.12Å; V281-H284 PolarHBondContact O-N 3.47Å; H284-A286 PolarHBondContact O-N 2.82Å; H284-Y319 PolarHBondContact CD2-OH 2.99Å; H284-Y319 PolarHBondContact NE2-OH 3.3Å |
| 285 | F | 56.2 | Low | 54.4 | Low | 47 Ų | 47 | 75.2 Ų | 75.2 | 21% | 0.206 | 38% | 0.381 | C | S | . | . | trans | -96.1 | 68.5 | 179.4 | -58.2 | -73.7 | 0 | 0 | 0 | 111.8 | V281 T282 N287 V288 Q307 L311 | V281-F285 HydrophobicContact CG1-CD2 3.98Å; V281-F285 HydrophobicContact CG1-CE2 4.09Å; V281-F285 WeakPolarHBondContact O-CD2 3.29Å; V281-F285 PolarHBondContact O-N 2.85Å; V281-F285 VanDerWaalsContact O-N 3.08Å; T282-F285 CarbonylContact O-C 3.42Å; F285-N287 PolarHBondContact O-N 3.32Å; F285-V288 HydrophobicContact CB-CB 4.01Å; F285-V288 HydrophobicContact CB-CG2 3.61Å; F285-V288 HydrophobicContact CG-CG2 4.43Å; F285-V288 VanDerWaalsContact O-CB 3.31Å; F285-V288 WeakPolarHBondContact O-CB 3.26Å; F285-V288 PolarHBondContact O-N 3.26Å; F285-Q307 HydrophobicContact CD1-CG 4.39Å; F285-Q307 HydrophobicContact CD2-CB 3.95Å; F285-Q307 HydrophobicContact CD2-CG 4.29Å; F285-Q307 HydrophobicContact CE1-CB 4.4Å; F285-Q307 HydrophobicContact CE1-CG 4.3Å; F285-Q307 HydrophobicContact CE2-CB 3.6Å; F285-Q307 HydrophobicContact CE2-CG 4.25Å; F285-Q307 HydrophobicContact CG-CG 4.39Å; F285-Q307 HydrophobicContact CZ-CB 3.83Å; F285-Q307 HydrophobicContact CZ-CG 4.24Å; F285-L311 HydrophobicContact CE2-CD2 4.47Å; F285-L311 HydrophobicContact CZ-CD2 4.21Å | ||
| 286 | A | 54.6 | Low | 54.6 | Low | 68 Ų | 68 | 78.1 Ų | 78.1 | 56% | 0.562 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -49.7 | -37 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | H284 V288 V289 | H284-A286 PolarHBondContact O-N 2.82Å; A286-V288 VanDerWaalsContact C-N 3.25Å; A286-V288 PolarHBondContact O-N 3.07Å; A286-V289 WeakPolarHBondContact O-CB 3.16Å; A286-V289 PolarHBondContact O-N 3.26Å; A286-V289 VanDerWaalsContact O-N 3.1Å |
| 287 | N | 51.2 | Low | 54.5 | Low | 131 Ų | 131 | 81 Ų | 81 | 70% | 0.701 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.1 | -24.8 | 176.3 | -62.9 | -14.3 | 0 | 0 | 0 | 113.8 | F285 V289 L290 I291 | F285-N287 PolarHBondContact O-N 3.32Å; N287-V289 VanDerWaalsContact C-N 3.27Å; N287-V289 PolarHBondContact O-N 2.99Å; N287-L290 PolarHBondContact O-N 2.88Å; N287-I291 WeakPolarHBondContact O-CG1 3.47Å; N287-I291 PolarHBondContact O-N 2.82Å |
| 288 | V | 50.2 | Low | 54.5 | Low | 9 Ų | 9 | 83.1 Ų | 83.1 | 6% | 0.055 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -69.3 | -26.4 | 175.7 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | F285 A286 L290 I291 F292 I303 I304 | F285-V288 HydrophobicContact CB-CB 4.01Å; F285-V288 HydrophobicContact CB-CG2 3.61Å; F285-V288 HydrophobicContact CG-CG2 4.43Å; F285-V288 VanDerWaalsContact O-CB 3.31Å; F285-V288 WeakPolarHBondContact O-CB 3.26Å; F285-V288 PolarHBondContact O-N 3.26Å; A286-V288 VanDerWaalsContact C-N 3.25Å; A286-V288 PolarHBondContact O-N 3.07Å; V288-L290 VanDerWaalsContact C-N 3.3Å; V288-L290 PolarHBondContact O-N 3.45Å; V288-I291 PolarHBondContact O-N 3.23Å; V288-F292 WeakPolarHBondContact O-CB 3.31Å; V288-F292 PolarHBondContact O-N 2.86Å; V288-I303 HydrophobicContact CG2-CG2 4.17Å; V288-I304 HydrophobicContact CG1-CG1 4.32Å |
| 289 | V | 47.8 | Very low | 54.8 | Low | 57 Ų | 57 | 83.6 Ų | 83.6 | 35% | 0.345 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.2 | -38.5 | 172.9 | -176.5 | 0 | 0 | 0 | 0 | 111 | I258 A286 N287 F292 | I258-V289 HydrophobicContact CD1-CG1 3.73Å; A286-V289 WeakPolarHBondContact O-CB 3.16Å; A286-V289 PolarHBondContact O-N 3.26Å; A286-V289 VanDerWaalsContact O-N 3.1Å; N287-V289 VanDerWaalsContact C-N 3.27Å; N287-V289 PolarHBondContact O-N 2.99Å; V289-F292 VanDerWaalsContact O-CB 3.29Å; V289-F292 WeakPolarHBondContact O-CB 3.45Å; V289-F292 PolarHBondContact O-N 3.01Å |
| 290 | L | 50.9 | Low | 54.9 | Low | 131 Ų | 131 | 79.6 Ų | 79.6 | 69% | 0.686 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -68.8 | -44.3 | 176 | -169.7 | 66.9 | 0 | 0 | 0 | 111.4 | N287 V288 F292 T293 | N287-L290 PolarHBondContact O-N 2.88Å; V288-L290 VanDerWaalsContact C-N 3.3Å; V288-L290 PolarHBondContact O-N 3.45Å; L290-F292 VanDerWaalsContact C-N 3.26Å; L290-F292 PolarHBondContact O-N 3.01Å; L290-T293 WeakPolarHBondContact O-CB 3.21Å; L290-T293 WeakPolarHBondContact O-CG2 3.37Å; L290-T293 PolarHBondContact O-N 2.98Å; L290-T293 PolarHBondContact O-OG1 2.94Å |
| 291 | I | 51.2 | Low | 55.2 | Low | 76 Ų | 76 | 81 Ų | 81 | 39% | 0.39 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.6 | -35.4 | 176.8 | -64.2 | 166.5 | 0 | 0 | 0 | 111.5 | N287 V288 T293 N294 I303 | N287-I291 WeakPolarHBondContact O-CG1 3.47Å; N287-I291 PolarHBondContact O-N 2.82Å; V288-I291 PolarHBondContact O-N 3.23Å; I291-T293 PolarHBondContact O-N 3.23Å; I291-T293 VanDerWaalsContact O-N 3.11Å; I291-N294 PolarHBondContact O-N 2.95Å; I291-I303 HydrophobicContact CG2-CD1 4.04Å |
| 292 | F | 53 | Low | 55.8 | Low | 70 Ų | 70 | 85.8 Ų | 85.8 | 31% | 0.307 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -55.7 | -27.9 | 178.5 | -142.2 | -75.3 | 0 | 0 | 0 | 113.5 | F278 V288 V289 L290 N294 I300 | F278-F292 HydrophobicContact CZ-CE2 4.44Å; V288-F292 WeakPolarHBondContact O-CB 3.31Å; V288-F292 PolarHBondContact O-N 2.86Å; V289-F292 VanDerWaalsContact O-CB 3.29Å; V289-F292 WeakPolarHBondContact O-CB 3.45Å; V289-F292 PolarHBondContact O-N 3.01Å; L290-F292 VanDerWaalsContact C-N 3.26Å; L290-F292 PolarHBondContact O-N 3.01Å; F292-N294 VanDerWaalsContact C-N 3.26Å; F292-N294 PolarHBondContact O-N 2.92Å; F292-I300 HydrophobicContact CB-CD1 4.48Å; F292-I300 HydrophobicContact CD1-CD1 3.57Å; F292-I300 HydrophobicContact CD2-CD1 4.1Å; F292-I300 HydrophobicContact CD2-CG1 4.25Å; F292-I300 HydrophobicContact CD2-CG2 3.69Å; F292-I300 HydrophobicContact CE1-CD1 3.75Å; F292-I300 HydrophobicContact CE2-CD1 4.27Å; F292-I300 HydrophobicContact CE2-CG2 3.3Å; F292-I300 HydrophobicContact CG-CD1 3.76Å; F292-I300 HydrophobicContact CG-CG1 4.27Å; F292-I300 HydrophobicContact CG-CG2 4.46Å; F292-I300 HydrophobicContact CZ-CD1 4.1Å; F292-I300 HydrophobicContact CZ-CG2 3.77Å |
| 293 | T | 51.1 | Low | 56.4 | Low | 97 Ų | 97 | 86.6 Ų | 86.6 | 60% | 0.595 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -67.9 | -20.4 | -171.2 | 62.5 | 0 | 0 | 0 | 0 | 114.8 | L290 I291 | L290-T293 WeakPolarHBondContact O-CB 3.21Å; L290-T293 WeakPolarHBondContact O-CG2 3.37Å; L290-T293 PolarHBondContact O-N 2.98Å; L290-T293 PolarHBondContact O-OG1 2.94Å; I291-T293 PolarHBondContact O-N 3.23Å; I291-T293 VanDerWaalsContact O-N 3.11Å |
| 294 | N | 52.1 | Low | 56.9 | Low | 149 Ų | 149 | 81.5 Ų | 81.5 | 80% | 0.797 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -135 | 12.2 | -171.9 | -78.5 | -87.2 | 0 | 0 | 0 | 114.2 | I291 F292 | I291-N294 PolarHBondContact O-N 2.95Å; F292-N294 VanDerWaalsContact C-N 3.26Å; F292-N294 PolarHBondContact O-N 2.92Å |
| 295 | Q | 59.3 | Low | 57.7 | Low | 86 Ų | 86 | 79.5 Ų | 79.5 | 40% | 0.402 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -122 | 152.4 | -179.4 | -83.9 | -169.3 | -8.7 | 0 | 0 | 114 | N299 I300 | Q295-N299 HydrophobicContact CB-CB 4.42Å; Q295-I300 HydrophobicContact CB-CD1 4.5Å; Q295-I300 HydrophobicContact CB-CG1 4.24Å; Q295-I300 VanDerWaalsContact O-CD1 3.24Å; Q295-I300 WeakPolarHBondContact O-CD1 3.06Å |
| 296 | E | 58.3 | Low | 58.6 | Low | 141 Ų | 141 | 83.7 Ų | 83.7 | 66% | 0.659 | 45% | 0.45 | S | S | * | . | trans | -66.3 | 150.2 | 175 | -61.4 | -165.5 | 154.8 | 0 | 0 | 112.8 | S298 N299 I300 | E296-S298 PolarHBondContact O-N 3.07Å; E296-N299 PolarHBondContact O-N 3.3Å; E296-I300 PolarHBondContact O-N 3.38Å | ||
| 297 | I | 54.3 | Low | 59.4 | Low | 137 Ų | 137 | 83.5 Ų | 83.5 | 70% | 0.703 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -54.1 | -31.2 | 179.6 | -61.3 | 171 | 0 | 0 | 0 | 112.2 | T301 | I297-T301 WeakPolarHBondContact O-CB 3.12Å; I297-T301 PolarHBondContact O-N 2.97Å; I297-T301 PolarHBondContact O-OG1 3.18Å |
| 298 | S | 53.4 | Low | 60.6 | Low | 83 Ų | 83 | 79.2 Ų | 79.2 | 58% | 0.58 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -64.2 | -51.4 | 175 | -165.4 | 0 | 0 | 0 | 0 | 111.8 | E296 I300 T301 H302 | E296-S298 PolarHBondContact O-N 3.07Å; S298-I300 PolarHBondContact O-N 2.57Å; S298-T301 PolarHBondContact O-N 3.37Å; S298-T301 VanDerWaalsContact O-N 3.16Å; S298-H302 PolarHBondContact O-N 3.35Å |
| 299 | N | 67.4 | Low | 62.1 | Low | 71 Ų | 71 | 85.1 Ų | 85.1 | 38% | 0.38 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | -178.5 | -63.4 | -16.1 | 0 | 0 | 0 | 111.2 | Q295 E296 T301 H302 I303 | Q295-N299 HydrophobicContact CB-CB 4.42Å; E296-N299 PolarHBondContact O-N 3.3Å; N299-T301 VanDerWaalsContact C-N 3.35Å; N299-T301 PolarHBondContact O-N 2.98Å; N299-H302 PolarHBondContact O-N 2.85Å; N299-I303 VanDerWaalsContact O-CG1 3.31Å; N299-I303 WeakPolarHBondContact O-CG1 3.28Å; N299-I303 PolarHBondContact O-N 3.07Å |
| 300 | I | 61.7 | Low | 63.5 | Low | 7 Ų | 7 | 86 Ų | 86 | 4% | 0.036 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -56.1 | -47.8 | 172.2 | -72.6 | 161.2 | 0 | 0 | 0 | 111.3 | F292 Q295 E296 S298 H302 I303 I304 | F292-I300 HydrophobicContact CB-CD1 4.48Å; F292-I300 HydrophobicContact CD1-CD1 3.57Å; F292-I300 HydrophobicContact CD2-CD1 4.1Å; F292-I300 HydrophobicContact CD2-CG1 4.25Å; F292-I300 HydrophobicContact CD2-CG2 3.69Å; F292-I300 HydrophobicContact CE1-CD1 3.75Å; F292-I300 HydrophobicContact CE2-CD1 4.27Å; F292-I300 HydrophobicContact CE2-CG2 3.3Å; F292-I300 HydrophobicContact CG-CD1 3.76Å; F292-I300 HydrophobicContact CG-CG1 4.27Å; F292-I300 HydrophobicContact CG-CG2 4.46Å; F292-I300 HydrophobicContact CZ-CD1 4.1Å; F292-I300 HydrophobicContact CZ-CG2 3.77Å; Q295-I300 HydrophobicContact CB-CD1 4.5Å; Q295-I300 HydrophobicContact CB-CG1 4.24Å; Q295-I300 VanDerWaalsContact O-CD1 3.24Å; Q295-I300 WeakPolarHBondContact O-CD1 3.06Å; E296-I300 PolarHBondContact O-N 3.38Å; S298-I300 PolarHBondContact O-N 2.57Å; I300-H302 VanDerWaalsContact C-N 3.33Å; I300-H302 PolarHBondContact O-N 3.5Å; I300-I303 PolarHBondContact O-N 2.73Å; I300-I304 HydrophobicContact CG2-CD1 3.92Å; I300-I304 WeakPolarHBondContact O-CG1 3.18Å; I300-I304 PolarHBondContact O-N 3.06Å |
| 301 | T | 64.1 | Low | 64.8 | Low | 72 Ų | 72 | 80.4 Ų | 80.4 | 44% | 0.442 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | -180 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | I297 S298 N299 I304 V305 | I297-T301 WeakPolarHBondContact O-CB 3.12Å; I297-T301 PolarHBondContact O-N 2.97Å; I297-T301 PolarHBondContact O-OG1 3.18Å; S298-T301 PolarHBondContact O-N 3.37Å; S298-T301 VanDerWaalsContact O-N 3.16Å; N299-T301 VanDerWaalsContact C-N 3.35Å; N299-T301 PolarHBondContact O-N 2.98Å; T301-I304 PolarHBondContact O-N 3.06Å; T301-V305 WeakPolarHBondContact O-CG2 3.08Å; T301-V305 PolarHBondContact O-N 2.95Å |
| 302 | H | 68 | Low | 66.2 | Low | 106 Ų | 106 | 79 Ų | 79 | 49% | 0.491 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 176.8 | 178.5 | -139.5 | 0 | 0 | 0 | 112.9 | S298 N299 I300 V305 K306 | S298-H302 PolarHBondContact O-N 3.35Å; N299-H302 PolarHBondContact O-N 2.85Å; I300-H302 VanDerWaalsContact C-N 3.33Å; I300-H302 PolarHBondContact O-N 3.5Å; H302-V305 PolarHBondContact O-N 3.29Å; H302-K306 WeakPolarHBondContact NE2-CE 3.43Å; H302-K306 PolarHBondContact O-N 3.11Å |
| 303 | I | 69.8 | Low | 67.6 | Low | 43 Ų | 43 | 86 Ų | 86 | 22% | 0.221 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 174 | -71.5 | 165.7 | 0 | 0 | 0 | 110.8 | V288 I291 N299 I300 V305 K306 Q307 | V288-I303 HydrophobicContact CG2-CG2 4.17Å; I291-I303 HydrophobicContact CG2-CD1 4.04Å; N299-I303 VanDerWaalsContact O-CG1 3.31Å; N299-I303 WeakPolarHBondContact O-CG1 3.28Å; N299-I303 PolarHBondContact O-N 3.07Å; I300-I303 PolarHBondContact O-N 2.73Å; I303-V305 PolarHBondContact O-N 3.48Å; I303-K306 PolarHBondContact O-N 3.46Å; I303-Q307 HydrophobicContact CG2-CG 4.41Å; I303-Q307 WeakPolarHBondContact O-CB 3.29Å; I303-Q307 WeakPolarHBondContact O-CG 3.45Å; I303-Q307 PolarHBondContact O-N 3.1Å |
| 304 | I | 68.1 | Low | 69.1 | Low | 18 Ų | 18 | 87.1 Ų | 87.1 | 9% | 0.092 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -67.2 | -36.4 | 179.4 | -69.2 | 170.5 | 0 | 0 | 0 | 111.5 | F278 V281 T282 V288 I300 T301 W308 | F278-I304 HydrophobicContact CD2-CD1 4.23Å; F278-I304 HydrophobicContact CD2-CG2 4.27Å; F278-I304 HydrophobicContact CE1-CD1 4.45Å; F278-I304 HydrophobicContact CE2-CD1 3.4Å; F278-I304 VanDerWaalsContact CE2-CD1 3.4Å; F278-I304 HydrophobicContact CE2-CG2 4.32Å; F278-I304 HydrophobicContact CZ-CD1 3.53Å; V281-I304 HydrophobicContact CG1-CG2 4.16Å; T282-I304 HydrophobicContact CG2-CD1 3.78Å; T282-I304 HydrophobicContact CG2-CG1 4.45Å; V288-I304 HydrophobicContact CG1-CG1 4.32Å; I300-I304 HydrophobicContact CG2-CD1 3.92Å; I300-I304 WeakPolarHBondContact O-CG1 3.18Å; I300-I304 PolarHBondContact O-N 3.06Å; T301-I304 PolarHBondContact O-N 3.06Å; I304-W308 WeakPolarHBondContact O-CB 3.3Å; I304-W308 PolarHBondContact O-N 3.35Å |
| 305 | V | 69.8 | Low | 70.3 | Confident | 70 Ų | 70 | 82.8 Ų | 82.8 | 42% | 0.424 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.7 | -47.6 | 171.7 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | T301 H302 I303 Q307 W308 H309 | T301-V305 WeakPolarHBondContact O-CG2 3.08Å; T301-V305 PolarHBondContact O-N 2.95Å; H302-V305 PolarHBondContact O-N 3.29Å; I303-V305 PolarHBondContact O-N 3.48Å; V305-Q307 VanDerWaalsContact C-N 3.33Å; V305-Q307 PolarHBondContact O-N 2.94Å; V305-W308 WeakPolarHBondContact O-CB 3.38Å; V305-W308 PolarHBondContact O-N 3.33Å; V305-H309 PolarHBondContact O-CD2 3.38Å; V305-H309 PolarHBondContact O-N 3.49Å; V305-H309 VanDerWaalsContact O-N 3.1Å |
| 306 | K | 74.6 | Confident | 71.1 | Confident | 136 Ų | 136 | 80.5 Ų | 80.5 | 59% | 0.591 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -58 | -44.2 | 175.9 | -80.4 | -169.6 | 165.8 | -168 | 0 | 112.5 | H302 I303 H309 A310 | H302-K306 WeakPolarHBondContact NE2-CE 3.43Å; H302-K306 PolarHBondContact O-N 3.11Å; I303-K306 PolarHBondContact O-N 3.46Å; K306-H309 PolarHBondContact O-N 2.69Å; K306-A310 PolarHBondContact O-N 3.13Å; K306-A310 VanDerWaalsContact O-N 3.16Å |
| 307 | Q | 70.5 | Confident | 72.2 | Confident | 63 Ų | 63 | 76 Ų | 76 | 29% | 0.294 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.5 | -32.7 | 177.7 | -71.1 | -68.8 | 25 | 0 | 0 | 112.8 | F285 I303 V305 A310 | F285-Q307 HydrophobicContact CD1-CG 4.39Å; F285-Q307 HydrophobicContact CD2-CB 3.95Å; F285-Q307 HydrophobicContact CD2-CG 4.29Å; F285-Q307 HydrophobicContact CE1-CB 4.4Å; F285-Q307 HydrophobicContact CE1-CG 4.3Å; F285-Q307 HydrophobicContact CE2-CB 3.6Å; F285-Q307 HydrophobicContact CE2-CG 4.25Å; F285-Q307 HydrophobicContact CG-CG 4.39Å; F285-Q307 HydrophobicContact CZ-CB 3.83Å; F285-Q307 HydrophobicContact CZ-CG 4.24Å; I303-Q307 HydrophobicContact CG2-CG 4.41Å; I303-Q307 WeakPolarHBondContact O-CB 3.29Å; I303-Q307 WeakPolarHBondContact O-CG 3.45Å; I303-Q307 PolarHBondContact O-N 3.1Å; V305-Q307 VanDerWaalsContact C-N 3.33Å; V305-Q307 PolarHBondContact O-N 2.94Å; Q307-A310 PolarHBondContact O-N 3.39Å |
| 308 | W | 77.4 | Confident | 73.3 | Confident | 41 Ų | 41 | 75.1 Ų | 75.1 | 16% | 0.155 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 171.6 | 172 | -92.8 | 0 | 0 | 0 | 111.9 | I277 V281 I304 V305 A310 L311 Q316 Y319 Y320 | I277-W308 HydrophobicContact CG2-CZ3 3.98Å; V281-W308 HydrophobicContact CG2-CE3 3.86Å; V281-W308 HydrophobicContact CG2-CZ3 4.27Å; I304-W308 WeakPolarHBondContact O-CB 3.3Å; I304-W308 PolarHBondContact O-N 3.35Å; V305-W308 WeakPolarHBondContact O-CB 3.38Å; V305-W308 PolarHBondContact O-N 3.33Å; W308-A310 PolarHBondContact O-N 3.47Å; W308-L311 HydrophobicContact CE3-CD1 4.11Å; W308-L311 WeakPolarHBondContact O-CB 3.34Å; W308-L311 PolarHBondContact O-N 3.47Å; W308-Q316 HydrophobicContact CH2-CB 4.03Å; W308-Q316 HydrophobicContact CH2-CG 4.16Å; W308-Q316 HydrophobicContact CZ2-CB 3.89Å; W308-Q316 HydrophobicContact CZ2-CG 3.84Å; W308-Q316 PolarHBondContact O-NE2 3.39Å; W308-Y319 HydrophobicContact CH2-CD2 4.25Å; W308-Y319 AromaticContact CZ3-CD2 3.66Å; W308-Y319 HydrophobicContact CZ3-CD2 3.66Å; W308-Y319 HydrophobicContact CZ3-CG 4.07Å; W308-Y320 HydrophobicContact CH2-CE2 4.2Å; W308-Y320 AromaticContact CZ2-CE2 3.81Å; W308-Y320 HydrophobicContact CZ2-CE2 3.81Å; W308-Y320 AromaticContact CZ2-CZ 3.86Å |
| 309 | H | 80.6 | Confident | 74.2 | Confident | 134 Ų | 134 | 71.9 Ų | 71.9 | 62% | 0.62 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -72.1 | -11.9 | 178 | -68.1 | -68.8 | 0 | 0 | 0 | 114.2 | V305 K306 | V305-H309 PolarHBondContact O-CD2 3.38Å; V305-H309 PolarHBondContact O-N 3.49Å; V305-H309 VanDerWaalsContact O-N 3.1Å; K306-H309 PolarHBondContact O-N 2.69Å |
| 310 | A | 79.1 | Confident | 74.6 | Confident | 74 Ų | 74 | 74.6 Ų | 74.6 | 61% | 0.612 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -9.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K306 Q307 W308 | K306-A310 PolarHBondContact O-N 3.13Å; K306-A310 VanDerWaalsContact O-N 3.16Å; Q307-A310 PolarHBondContact O-N 3.39Å; W308-A310 PolarHBondContact O-N 3.47Å |
| 311 | L | 77.1 | Confident | 75.3 | Confident | 14 Ų | 14 | 77.9 Ų | 77.9 | 7% | 0.073 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -78.4 | 148.8 | 175.1 | -66 | 166.2 | 0 | 0 | 0 | 111.2 | F285 W308 E315 Q316 Y319 | F285-L311 HydrophobicContact CE2-CD2 4.47Å; F285-L311 HydrophobicContact CZ-CD2 4.21Å; W308-L311 HydrophobicContact CE3-CD1 4.11Å; W308-L311 WeakPolarHBondContact O-CB 3.34Å; W308-L311 PolarHBondContact O-N 3.47Å; L311-E315 HydrophobicContact CB-CB 4.15Å; L311-E315 HydrophobicContact CD2-CB 4.47Å; L311-Q316 HydrophobicContact CB-CG 4.01Å; L311-Q316 PolarHBondContact O-NE2 3.25Å; L311-Y319 HydrophobicContact CD1-CD2 4.36Å; L311-Y319 HydrophobicContact CD1-CE2 3.84Å |
| 312 | S | 81.5 | Confident | 75.8 | Confident | 47 Ų | 47 | 78.5 Ų | 78.5 | 33% | 0.329 | 38% | 0.381 | S | S | . | . | trans | -66.2 | 160.6 | 177.2 | 97.9 | 0 | 0 | 0 | 0 | 112.4 | E314 E315 Q316 | S312-E314 WeakPolarHBondContact CB-OE2 3.37Å; S312-E314 PolarHBondContact O-N 3.21Å; S312-E314 PolarHBondContact OG-N 3.07Å; S312-E314 PolarHBondContact OG-OE2 3.12Å; S312-E315 PolarHBondContact N-OE2 2.65Å; S312-E315 VanDerWaalsContact N-OE2 3.07Å; S312-E315 PolarHBondContact O-N 3.07Å; S312-E315 PolarHBondContact OG-N 2.85Å; S312-Q316 WeakPolarHBondContact O-CG 3.4Å; S312-Q316 PolarHBondContact O-N 3.01Å | ||
| 313 | R | 81.4 | Confident | 76 | Confident | 217 Ų | 217 | 74.4 Ų | 74.4 | 82% | 0.819 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.2 | -33 | 179 | -162.1 | 174.5 | -173.4 | 174 | 1.4 | 111.4 | A317 | R313-A317 VanDerWaalsContact O-CB 3.27Å; R313-A317 WeakPolarHBondContact O-CB 3.44Å; R313-A317 PolarHBondContact O-N 3.5Å |
| 314 | E | 83.8 | Confident | 76.4 | Confident | 121 Ų | 121 | 78.2 Ų | 78.2 | 57% | 0.565 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -72.6 | -32.8 | 176.4 | -52.1 | 65.9 | -135.1 | 0 | 0 | 111.9 | S312 K318 | S312-E314 WeakPolarHBondContact CB-OE2 3.37Å; S312-E314 PolarHBondContact O-N 3.21Å; S312-E314 PolarHBondContact OG-N 3.07Å; S312-E314 PolarHBondContact OG-OE2 3.12Å; E314-K318 WeakPolarHBondContact O-CE 3.02Å; E314-K318 WeakPolarHBondContact O-CG 3.47Å; E314-K318 PolarHBondContact O-N 2.85Å |
| 315 | E | 75.6 | Confident | 77 | Confident | 57 Ų | 57 | 83.6 Ų | 83.6 | 27% | 0.266 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -73.1 | -46 | 173.1 | -67.7 | -176 | 125.7 | 0 | 0 | 111.8 | L311 S312 A317 K318 Y319 | L311-E315 HydrophobicContact CB-CB 4.15Å; L311-E315 HydrophobicContact CD2-CB 4.47Å; S312-E315 PolarHBondContact N-OE2 2.65Å; S312-E315 VanDerWaalsContact N-OE2 3.07Å; S312-E315 PolarHBondContact O-N 3.07Å; S312-E315 PolarHBondContact OG-N 2.85Å; E315-A317 VanDerWaalsContact C-N 3.28Å; E315-A317 PolarHBondContact O-N 3.23Å; E315-K318 WeakPolarHBondContact O-CB 3.05Å; E315-K318 PolarHBondContact O-N 3.47Å; E315-Y319 WeakPolarHBondContact O-CD2 3.22Å; E315-Y319 PolarHBondContact O-N 3.36Å |
| 316 | Q | 75.8 | Confident | 77 | Confident | 39 Ų | 39 | 81.5 Ų | 81.5 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -57 | -43 | 172.3 | -66 | 179.5 | 37.6 | 0 | 0 | 110.8 | W308 L311 S312 K318 Y319 Y320 | W308-Q316 HydrophobicContact CH2-CB 4.03Å; W308-Q316 HydrophobicContact CH2-CG 4.16Å; W308-Q316 HydrophobicContact CZ2-CB 3.89Å; W308-Q316 HydrophobicContact CZ2-CG 3.84Å; W308-Q316 PolarHBondContact O-NE2 3.39Å; L311-Q316 HydrophobicContact CB-CG 4.01Å; L311-Q316 PolarHBondContact O-NE2 3.25Å; S312-Q316 WeakPolarHBondContact O-CG 3.4Å; S312-Q316 PolarHBondContact O-N 3.01Å; Q316-K318 PolarHBondContact O-N 3.09Å; Q316-Y319 PolarHBondContact O-N 3.3Å; Q316-Y319 VanDerWaalsContact O-N 3.08Å; Q316-Y320 HydrophobicContact CB-CE2 4.27Å; Q316-Y320 WeakPolarHBondContact O-CD2 3.44Å; Q316-Y320 PolarHBondContact O-N 3.03Å |
| 317 | A | 81.4 | Confident | 76.9 | Confident | 45 Ų | 45 | 84.5 Ų | 84.5 | 37% | 0.372 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -56.7 | -42.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R313 E315 Y319 Y320 E321 | R313-A317 VanDerWaalsContact O-CB 3.27Å; R313-A317 WeakPolarHBondContact O-CB 3.44Å; R313-A317 PolarHBondContact O-N 3.5Å; E315-A317 VanDerWaalsContact C-N 3.28Å; E315-A317 PolarHBondContact O-N 3.23Å; A317-Y319 VanDerWaalsContact C-N 3.26Å; A317-Y319 PolarHBondContact O-N 3.13Å; A317-Y320 PolarHBondContact O-N 3.46Å; A317-Y320 VanDerWaalsContact O-N 3.13Å; A317-E321 WeakPolarHBondContact O-CG 3.37Å; A317-E321 PolarHBondContact O-N 3.39Å |
| 318 | K | 78.2 | Confident | 77.3 | Confident | 119 Ų | 119 | 86.1 Ų | 86.1 | 52% | 0.517 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -56 | -42.2 | 175.1 | -65.8 | 159.7 | -159.3 | 163.6 | 0 | 111.2 | E314 E315 Q316 E321 L322 | E314-K318 WeakPolarHBondContact O-CE 3.02Å; E314-K318 WeakPolarHBondContact O-CG 3.47Å; E314-K318 PolarHBondContact O-N 2.85Å; E315-K318 WeakPolarHBondContact O-CB 3.05Å; E315-K318 PolarHBondContact O-N 3.47Å; Q316-K318 PolarHBondContact O-N 3.09Å; K318-E321 PolarHBondContact O-N 3.24Å; K318-L322 VanDerWaalsContact O-CD1 3.23Å; K318-L322 WeakPolarHBondContact O-CD1 3.43Å; K318-L322 PolarHBondContact O-N 3.37Å |
| 319 | Y | 71.4 | Confident | 77.2 | Confident | 16 Ų | 16 | 88 Ų | 88 | 6% | 0.063 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -70.3 | -35.4 | 178.1 | -59.9 | -56.5 | 0 | 0 | 0 | 113.1 | L280 H284 W308 L311 E315 Q316 A317 L322 A323 | L280-Y319 HydrophobicContact CB-CD1 4Å; L280-Y319 HydrophobicContact CB-CE1 3.71Å; L280-Y319 HydrophobicContact CD1-CD1 4.03Å; L280-Y319 HydrophobicContact CD1-CE1 4.31Å; L280-Y319 HydrophobicContact CG-CE1 4.41Å; H284-Y319 PolarHBondContact CD2-OH 2.99Å; H284-Y319 PolarHBondContact NE2-OH 3.3Å; W308-Y319 HydrophobicContact CH2-CD2 4.25Å; W308-Y319 AromaticContact CZ3-CD2 3.66Å; W308-Y319 HydrophobicContact CZ3-CD2 3.66Å; W308-Y319 HydrophobicContact CZ3-CG 4.07Å; L311-Y319 HydrophobicContact CD1-CD2 4.36Å; L311-Y319 HydrophobicContact CD1-CE2 3.84Å; E315-Y319 WeakPolarHBondContact O-CD2 3.22Å; E315-Y319 PolarHBondContact O-N 3.36Å; Q316-Y319 PolarHBondContact O-N 3.3Å; Q316-Y319 VanDerWaalsContact O-N 3.08Å; A317-Y319 VanDerWaalsContact C-N 3.26Å; A317-Y319 PolarHBondContact O-N 3.13Å; Y319-L322 PolarHBondContact O-N 3.5Å; Y319-A323 VanDerWaalsContact O-CB 3.31Å; Y319-A323 WeakPolarHBondContact O-CB 3.24Å; Y319-A323 PolarHBondContact O-N 3.42Å |
| 320 | Y | 75.9 | Confident | 76.8 | Confident | 127 Ų | 127 | 83.6 Ų | 83.6 | 50% | 0.498 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 171.2 | -72.2 | -67.2 | 0 | 0 | 0 | 112.4 | W308 Q316 A317 A323 R324 | W308-Y320 HydrophobicContact CH2-CE2 4.2Å; W308-Y320 AromaticContact CZ2-CE2 3.81Å; W308-Y320 HydrophobicContact CZ2-CE2 3.81Å; W308-Y320 AromaticContact CZ2-CZ 3.86Å; Q316-Y320 HydrophobicContact CB-CE2 4.27Å; Q316-Y320 WeakPolarHBondContact O-CD2 3.44Å; Q316-Y320 PolarHBondContact O-N 3.03Å; A317-Y320 PolarHBondContact O-N 3.46Å; A317-Y320 VanDerWaalsContact O-N 3.13Å; Y320-A323 PolarHBondContact O-N 2.83Å; Y320-R324 PolarHBondContact O-N 2.95Å |
| 321 | E | 78.2 | Confident | 76.4 | Confident | 77 Ų | 77 | 86.6 Ų | 86.6 | 36% | 0.36 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 175 | -71 | -52.9 | 127.6 | 0 | 0 | 112.4 | A317 K318 A323 R324 K325 | A317-E321 WeakPolarHBondContact O-CG 3.37Å; A317-E321 PolarHBondContact O-N 3.39Å; K318-E321 PolarHBondContact O-N 3.24Å; E321-A323 VanDerWaalsContact C-N 3.31Å; E321-A323 PolarHBondContact O-N 3.07Å; E321-R324 PolarHBondContact O-N 3.35Å; E321-R324 IonicContact OE1-CZ 3.14Å; E321-R324 IonicContact OE1-NH1 2.72Å; E321-R324 PolarHBondContact OE1-NH1 3.35Å; E321-R324 IonicContact OE1-NH2 2.73Å; E321-R324 PolarHBondContact OE1-NH2 3.38Å; E321-R324 IonicContact OE2-CZ 3.75Å; E321-R324 IonicContact OE2-NH1 2.78Å; E321-R324 PolarHBondContact OE2-NH1 3.03Å; E321-K325 WeakPolarHBondContact O-CG 3.22Å; E321-K325 PolarHBondContact O-N 3.09Å |
| 322 | L | 73.1 | Confident | 76.5 | Confident | 85 Ų | 85 | 92.8 Ų | 92.8 | 45% | 0.445 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.3 | -40 | 174 | -93.5 | 71.7 | 0 | 0 | 0 | 111.5 | L280 K318 Y319 K325 E326 | L280-L322 HydrophobicContact CD1-CD2 3.67Å; K318-L322 VanDerWaalsContact O-CD1 3.23Å; K318-L322 WeakPolarHBondContact O-CD1 3.43Å; K318-L322 PolarHBondContact O-N 3.37Å; Y319-L322 PolarHBondContact O-N 3.5Å; L322-K325 PolarHBondContact O-N 3.43Å; L322-E326 WeakPolarHBondContact O-CB 3.43Å; L322-E326 PolarHBondContact O-N 2.84Å |
| 323 | A | 73.4 | Confident | 76 | Confident | 19 Ų | 19 | 95.7 Ų | 95.7 | 16% | 0.157 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -66.4 | -35.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | I277 Y319 Y320 E321 R327 | I277-A323 HydrophobicContact CD1-CB 3.81Å; I277-A323 HydrophobicContact CG1-CB 4.18Å; Y319-A323 VanDerWaalsContact O-CB 3.31Å; Y319-A323 WeakPolarHBondContact O-CB 3.24Å; Y319-A323 PolarHBondContact O-N 3.42Å; Y320-A323 PolarHBondContact O-N 2.83Å; E321-A323 VanDerWaalsContact C-N 3.31Å; E321-A323 PolarHBondContact O-N 3.07Å; A323-R327 WeakPolarHBondContact O-CB 3.44Å; A323-R327 PolarHBondContact O-N 3.47Å |
| 324 | R | 78.2 | Confident | 75.8 | Confident | 124 Ų | 124 | 91.5 Ų | 91.5 | 47% | 0.468 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -69 | -44.4 | 175.7 | -156.4 | -174.8 | -54.2 | 115.8 | 8.1 | 111.2 | Y320 E321 R327 Q328 | Y320-R324 PolarHBondContact O-N 2.95Å; E321-R324 PolarHBondContact O-N 3.35Å; E321-R324 IonicContact OE1-CZ 3.14Å; E321-R324 IonicContact OE1-NH1 2.72Å; E321-R324 PolarHBondContact OE1-NH1 3.35Å; E321-R324 IonicContact OE1-NH2 2.73Å; E321-R324 PolarHBondContact OE1-NH2 3.38Å; E321-R324 IonicContact OE2-CZ 3.75Å; E321-R324 IonicContact OE2-NH1 2.78Å; E321-R324 PolarHBondContact OE2-NH1 3.03Å; R324-R327 PolarHBondContact O-N 3.29Å; R324-Q328 WeakPolarHBondContact O-CG 3.5Å; R324-Q328 PolarHBondContact O-N 3.39Å |
| 325 | K | 79.1 | Confident | 75.6 | Confident | 130 Ų | 130 | 91.1 Ų | 91.1 | 57% | 0.565 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -60.9 | -44.6 | 174.2 | -69.8 | 174.7 | -177.3 | 179.1 | 0 | 112 | E321 L322 R327 Q328 L329 | E321-K325 WeakPolarHBondContact O-CG 3.22Å; E321-K325 PolarHBondContact O-N 3.09Å; L322-K325 PolarHBondContact O-N 3.43Å; K325-R327 VanDerWaalsContact C-N 3.34Å; K325-R327 PolarHBondContact O-N 3.11Å; K325-Q328 PolarHBondContact O-N 3.27Å; K325-L329 WeakPolarHBondContact O-CB 3.42Å; K325-L329 PolarHBondContact O-N 2.95Å |
| 326 | E | 71.4 | Confident | 75.5 | Confident | 27 Ų | 27 | 92.3 Ų | 92.3 | 13% | 0.126 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -59.6 | -41.8 | 173.9 | 173.7 | 64.2 | -169 | 0 | 0 | 112.2 | S272 A273 K276 L322 L329 H330 | S272-E326 PolarHBondContact OG-OE1 3.11Å; A273-E326 HydrophobicContact CB-CG 4.15Å; K276-E326 VanDerWaalsContact CD-CD 3.44Å; K276-E326 HydrophobicContact CD-CG 3.99Å; K276-E326 WeakPolarHBondContact CD-OE1 3.37Å; K276-E326 WeakPolarHBondContact CD-OE2 3.44Å; K276-E326 IonicContact NZ-OE1 2.65Å; K276-E326 PolarHBondContact NZ-OE1 3.45Å; K276-E326 IonicContact NZ-OE2 2.74Å; K276-E326 PolarHBondContact NZ-OE2 3.06Å; L322-E326 WeakPolarHBondContact O-CB 3.43Å; L322-E326 PolarHBondContact O-N 2.84Å; E326-L329 PolarHBondContact O-N 3.05Å; E326-H330 WeakPolarHBondContact O-CB 3.48Å; E326-H330 PolarHBondContact O-N 3Å |
| 327 | R | 71.1 | Confident | 75.6 | Confident | 198 Ų | 198 | 94.4 Ų | 94.4 | 75% | 0.747 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.6 | -40.5 | 177 | -177.3 | 177.9 | 176.2 | -179.4 | -2.3 | 112 | A323 R324 K325 M331 | A323-R327 WeakPolarHBondContact O-CB 3.44Å; A323-R327 PolarHBondContact O-N 3.47Å; R324-R327 PolarHBondContact O-N 3.29Å; K325-R327 VanDerWaalsContact C-N 3.34Å; K325-R327 PolarHBondContact O-N 3.11Å; R327-M331 WeakPolarHBondContact O-CB 3.23Å; R327-M331 PolarHBondContact O-N 3.31Å; R327-M331 VanDerWaalsContact O-N 3.07Å |
| 328 | Q | 78.7 | Confident | 75.2 | Confident | 98 Ų | 98 | 94.1 Ų | 94.1 | 46% | 0.458 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.3 | -47.6 | 174.7 | -71.9 | 167.1 | -26.4 | 0 | 0 | 111.2 | R324 K325 H330 M331 Q332 | R324-Q328 WeakPolarHBondContact O-CG 3.5Å; R324-Q328 PolarHBondContact O-N 3.39Å; K325-Q328 PolarHBondContact O-N 3.27Å; Q328-H330 PolarHBondContact O-N 3.21Å; Q328-M331 WeakPolarHBondContact O-CB 3.33Å; Q328-M331 PolarHBondContact O-N 3.49Å; Q328-Q332 WeakPolarHBondContact O-CG 3.41Å; Q328-Q332 PolarHBondContact O-N 3.03Å |
| 329 | L | 76.3 | Confident | 74.8 | Confident | 80 Ų | 80 | 90.5 Ų | 90.5 | 42% | 0.419 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 176.9 | -178.3 | 64.4 | 0 | 0 | 0 | 112 | K325 E326 M331 Q332 L333 | K325-L329 WeakPolarHBondContact O-CB 3.42Å; K325-L329 PolarHBondContact O-N 2.95Å; E326-L329 PolarHBondContact O-N 3.05Å; L329-M331 VanDerWaalsContact C-N 3.31Å; L329-M331 PolarHBondContact O-N 3.19Å; L329-Q332 PolarHBondContact O-N 3.04Å; L329-L333 HydrophobicContact CD1-CD1 4.04Å; L329-L333 HydrophobicContact CD1-CG 4.15Å; L329-L333 HydrophobicContact CD2-CD1 4.46Å; L329-L333 HydrophobicContact CG-CD1 3.86Å; L329-L333 HydrophobicContact CG-CG 4.35Å; L329-L333 WeakPolarHBondContact O-CB 3.22Å; L329-L333 WeakPolarHBondContact O-CG 3.43Å; L329-L333 PolarHBondContact O-N 3.4Å |
| 330 | H | 72.3 | Confident | 74.3 | Confident | 42 Ų | 42 | 100 Ų | 100 | 19% | 0.194 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 176.4 | -167.9 | 84.1 | 0 | 0 | 0 | 112.3 | E326 Q328 Q332 L333 Y334 W337 | E326-H330 WeakPolarHBondContact O-CB 3.48Å; E326-H330 PolarHBondContact O-N 3Å; Q328-H330 PolarHBondContact O-N 3.21Å; H330-Q332 VanDerWaalsContact C-N 3.35Å; H330-L333 PolarHBondContact O-N 3.11Å; H330-Y334 AromaticContact CE1-CD2 3.38Å; H330-Y334 WeakPolarHBondContact CE1-CD2 3.44Å; H330-Y334 AromaticContact CE1-CE2 3.65Å; H330-Y334 AromaticContact CG-CD2 3.98Å; H330-Y334 AromaticContact ND1-CD2 3.52Å; H330-Y334 AromaticContact ND1-CE2 3.67Å; H330-Y334 AromaticContact NE2-CD2 3.8Å; H330-Y334 WeakPolarHBondContact O-CD2 3.41Å; H330-Y334 PolarHBondContact O-N 3.24Å; H330-W337 AromaticContact CD2-CE3 3.91Å; H330-W337 AromaticContact NE2-CD2 3.44Å; H330-W337 AromaticContact NE2-CE2 3.73Å; H330-W337 AromaticContact NE2-CE3 3.61Å; H330-W337 AromaticContact NE2-CG 3.86Å |
| 331 | M | 70.6 | Confident | 73.9 | Confident | 137 Ų | 137 | 99.4 Ų | 99.4 | 68% | 0.675 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.2 | -33.7 | 176.1 | -172.9 | 175.5 | 71.7 | 0 | 0 | 112.6 | R327 Q328 L329 | R327-M331 WeakPolarHBondContact O-CB 3.23Å; R327-M331 PolarHBondContact O-N 3.31Å; R327-M331 VanDerWaalsContact O-N 3.07Å; Q328-M331 WeakPolarHBondContact O-CB 3.33Å; Q328-M331 PolarHBondContact O-N 3.49Å; L329-M331 VanDerWaalsContact C-N 3.31Å; L329-M331 PolarHBondContact O-N 3.19Å |
| 332 | Q | 79.3 | Confident | 73.3 | Confident | 144 Ų | 144 | 99.8 Ų | 99.8 | 67% | 0.673 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -73.5 | -41.2 | 174.3 | -70 | 170.5 | -7.3 | 0 | 0 | 112.7 | Q328 L329 H330 | Q328-Q332 WeakPolarHBondContact O-CG 3.41Å; Q328-Q332 PolarHBondContact O-N 3.03Å; L329-Q332 PolarHBondContact O-N 3.04Å; H330-Q332 VanDerWaalsContact C-N 3.35Å |
| 333 | L | 71.9 | Confident | 72.5 | Confident | 108 Ų | 108 | 100.5 Ų | 100.5 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -75.9 | -25.9 | -178.5 | -69.9 | 174.6 | 0 | 0 | 0 | 113.5 | L329 H330 P335 | L329-L333 HydrophobicContact CD1-CD1 4.04Å; L329-L333 HydrophobicContact CD1-CG 4.15Å; L329-L333 HydrophobicContact CD2-CD1 4.46Å; L329-L333 HydrophobicContact CG-CD1 3.86Å; L329-L333 HydrophobicContact CG-CG 4.35Å; L329-L333 WeakPolarHBondContact O-CB 3.22Å; L329-L333 WeakPolarHBondContact O-CG 3.43Å; L329-L333 PolarHBondContact O-N 3.4Å; H330-L333 PolarHBondContact O-N 3.11Å; L333-P335 VanDerWaalsContact C-CD 3.5Å |
| 334 | Y | 75.3 | Confident | 71.5 | Confident | 129 Ų | 129 | 102 Ų | 102 | 51% | 0.506 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -130.1 | 65.9 | -177.6 | -53.6 | -73.2 | 0 | 0 | 0 | 112.2 | H330 G336 W337 | H330-Y334 AromaticContact CE1-CD2 3.38Å; H330-Y334 WeakPolarHBondContact CE1-CD2 3.44Å; H330-Y334 AromaticContact CE1-CE2 3.65Å; H330-Y334 AromaticContact CG-CD2 3.98Å; H330-Y334 AromaticContact ND1-CD2 3.52Å; H330-Y334 AromaticContact ND1-CE2 3.67Å; H330-Y334 AromaticContact NE2-CD2 3.8Å; H330-Y334 WeakPolarHBondContact O-CD2 3.41Å; H330-Y334 PolarHBondContact O-N 3.24Å; Y334-G336 PolarHBondContact O-N 2.85Å; Y334-W337 VanDerWaalsContact O-CB 3.28Å; Y334-W337 WeakPolarHBondContact O-CB 3.37Å; Y334-W337 PolarHBondContact O-N 3.38Å |
| 335 | P | 80.3 | Confident | 70.4 | Confident | 113 Ų | 113 | 106.1 Ų | 106.1 | 73% | 0.734 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 128.1 | 172.2 | 26.1 | -34.2 | 0 | 0 | 0 | 109.9 | L333 | L333-P335 VanDerWaalsContact C-CD 3.5Š|
| 336 | G | 74.3 | Confident | 69.4 | Low | 81 Ų | 81 | 108.1 Ų | 108.1 | 84% | 0.835 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | -1.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y334 S338 | Y334-G336 PolarHBondContact O-N 2.85Å; G336-S338 PolarHBondContact O-N 3.5Å |
| 337 | W | 77.9 | Confident | 68.5 | Low | 84 Ų | 84 | 116.7 Ų | 116.7 | 32% | 0.318 | 58% | 0.577 | S | S | . | * | trans | -72.1 | 111.3 | 172 | -170.7 | 89.7 | 0 | 0 | 0 | 111.5 | H330 Y334 A339 N342 Y343 | H330-W337 AromaticContact CD2-CE3 3.91Å; H330-W337 AromaticContact NE2-CD2 3.44Å; H330-W337 AromaticContact NE2-CE2 3.73Å; H330-W337 AromaticContact NE2-CE3 3.61Å; H330-W337 AromaticContact NE2-CG 3.86Å; Y334-W337 VanDerWaalsContact O-CB 3.28Å; Y334-W337 WeakPolarHBondContact O-CB 3.37Å; Y334-W337 PolarHBondContact O-N 3.38Å; W337-A339 HydrophobicContact CH2-CB 4.02Å; W337-A339 HydrophobicContact CZ3-CB 3.92Å; W337-N342 HydrophobicContact CZ2-CB 4.41Å; W337-N342 PolarHBondContact NE1-OD1 3.12Å; W337-Y343 AromaticContact CH2-CE2 3.7Å; W337-Y343 HydrophobicContact CH2-CE2 3.7Å; W337-Y343 AromaticContact CZ2-CE2 3.72Å; W337-Y343 HydrophobicContact CZ2-CE2 3.72Å | ||
| 338 | S | 73.4 | Confident | 67.6 | Low | 39 Ų | 39 | 116.7 Ų | 116.7 | 27% | 0.273 | 58% | 0.582 | S | S | . | * | trans | -108.9 | 125.8 | 175.4 | 166.6 | 0 | 0 | 0 | 0 | 110.8 | G336 R340 D341 N342 | G336-S338 PolarHBondContact O-N 3.5Å; S338-R340 VanDerWaalsContact C-N 3.25Å; S338-R340 PolarHBondContact O-N 3.45Å; S338-R340 PolarHBondContact OG-N 3.46Å; S338-D341 WeakPolarHBondContact CB-OD2 3.42Å; S338-D341 PolarHBondContact O-N 2.93Å; S338-D341 PolarHBondContact OG-OD2 2.92Å; S338-N342 WeakPolarHBondContact O-CB 3.31Å; S338-N342 PolarHBondContact O-N 3.4Å; S338-N342 VanDerWaalsContact O-N 3.07Å; S338-N342 PolarHBondContact O-ND2 3.37Å | ||
| 339 | A | 68.3 | Low | 66.6 | Low | 43 Ų | 43 | 123.7 Ų | 123.7 | 36% | 0.355 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -61.8 | -34.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | W337 D341 Y343 | W337-A339 HydrophobicContact CH2-CB 4.02Å; W337-A339 HydrophobicContact CZ3-CB 3.92Å; A339-D341 VanDerWaalsContact C-N 3.29Å; A339-D341 PolarHBondContact O-N 3.37Å; A339-Y343 HydrophobicContact CB-CD2 4.32Å; A339-Y343 HydrophobicContact CB-CE2 4.29Å; A339-Y343 WeakPolarHBondContact O-CB 3.37Å; A339-Y343 WeakPolarHBondContact O-CD2 3.49Å; A339-Y343 VanDerWaalsContact O-CG 3.27Å; A339-Y343 PolarHBondContact O-N 3.13Å |
| 340 | R | 62 | Low | 65 | Low | 214 Ų | 214 | 127.3 Ų | 127.3 | 81% | 0.808 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -57.3 | -44 | 179.2 | -177.6 | -176.9 | -174.5 | 169.9 | 1.1 | 111.6 | S338 | S338-R340 VanDerWaalsContact C-N 3.25Å; S338-R340 PolarHBondContact O-N 3.45Å; S338-R340 PolarHBondContact OG-N 3.46Å |
| 341 | D | 67.4 | Low | 63.8 | Low | 115 Ų | 115 | 136.6 Ų | 136.6 | 62% | 0.615 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -89.4 | -32.6 | -170.7 | -51.9 | -63.9 | 0 | 0 | 0 | 111.2 | S338 A339 | S338-D341 WeakPolarHBondContact CB-OD2 3.42Å; S338-D341 PolarHBondContact O-N 2.93Å; S338-D341 PolarHBondContact OG-OD2 2.92Å; A339-D341 VanDerWaalsContact C-N 3.29Å; A339-D341 PolarHBondContact O-N 3.37Å |
| 342 | N | 64.1 | Low | 62.3 | Low | 85 Ų | 85 | 136.5 Ų | 136.5 | 46% | 0.455 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -77.1 | -21.5 | 174.7 | -75.3 | -96.4 | 0 | 0 | 0 | 113.7 | W337 S338 | W337-N342 HydrophobicContact CZ2-CB 4.41Å; W337-N342 PolarHBondContact NE1-OD1 3.12Å; S338-N342 WeakPolarHBondContact O-CB 3.31Å; S338-N342 PolarHBondContact O-N 3.4Å; S338-N342 VanDerWaalsContact O-N 3.07Å; S338-N342 PolarHBondContact O-ND2 3.37Å |
| 343 | Y | 57.6 | Low | 60.5 | Low | 100 Ų | 100 | 137.2 Ų | 137.2 | 39% | 0.392 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.5 | 14.9 | -176.9 | -67.8 | -145.2 | 0 | 0 | 0 | 111.7 | L270 W337 A339 K345 | L270-Y343 HydrophobicContact CD1-CD1 3.6Å; L270-Y343 HydrophobicContact CD1-CD2 3.8Å; L270-Y343 HydrophobicContact CD1-CE1 3.61Å; L270-Y343 HydrophobicContact CD1-CE2 3.8Å; L270-Y343 HydrophobicContact CD1-CG 3.69Å; L270-Y343 HydrophobicContact CD2-CE1 4.38Å; L270-Y343 HydrophobicContact CG-CD1 4Å; L270-Y343 HydrophobicContact CG-CE1 3.58Å; L270-Y343 HydrophobicContact CG-CE2 4.37Å; L270-Y343 PolarHBondContact O-OH 3.37Å; L270-Y343 VanDerWaalsContact O-OH 3.07Å; W337-Y343 AromaticContact CH2-CE2 3.7Å; W337-Y343 HydrophobicContact CH2-CE2 3.7Å; W337-Y343 AromaticContact CZ2-CE2 3.72Å; W337-Y343 HydrophobicContact CZ2-CE2 3.72Å; A339-Y343 HydrophobicContact CB-CD2 4.32Å; A339-Y343 HydrophobicContact CB-CE2 4.29Å; A339-Y343 WeakPolarHBondContact O-CB 3.37Å; A339-Y343 WeakPolarHBondContact O-CD2 3.49Å; A339-Y343 VanDerWaalsContact O-CG 3.27Å; A339-Y343 PolarHBondContact O-N 3.13Å; Y343-K345 PolarHBondContact O-N 3.12Å |
| 344 | G | 52 | Low | 58.9 | Low | 52 Ų | 52 | 140.9 Ų | 140.9 | 54% | 0.536 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57 | 125.8 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 345 | K | 55.4 | Low | 57.1 | Low | 210 Ų | 210 | 140.7 Ų | 140.7 | 91% | 0.913 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.9 | 53.2 | 158.1 | -53 | -179.4 | -176.7 | 175.2 | 0 | 117.2 | Y343 K347 | Y343-K345 PolarHBondContact O-N 3.12Å; K345-K347 PolarHBondContact O-N 2.82Å |
| 346 | K | 57.6 | Low | 55 | Low | 172 Ų | 172 | 144 Ų | 144 | 75% | 0.748 | 68% | 0.675 | S | S | * | * | trans | -61.7 | 123.7 | 150.8 | -75.9 | -173.7 | 179.6 | 176.9 | 0 | 109.4 | K348 | K346-K348 PolarHBondContact O-N 3.35Å; K346-K348 VanDerWaalsContact O-N 3.09Å | ||
| 347 | K | 51.8 | Low | 52.9 | Low | 207 Ų | 207 | 145.6 Ų | 145.6 | 90% | 0.9 | 67% | 0.668 | S | S | * | * | trans | -59.2 | 112.9 | 177.7 | -172 | 173.1 | -176.9 | 175.6 | 0 | 109.4 | K345 R349 | K345-K347 PolarHBondContact O-N 2.82Å; K347-R349 PolarHBondContact O-N 3.05Å | ||
| 348 | K | 52.2 | Low | 51.1 | Low | 197 Ų | 197 | 146.1 Ų | 146.1 | 86% | 0.857 | 69% | 0.691 | S | S | * | * | trans | -52.1 | 112.6 | 178.7 | -177.6 | 175.9 | -178.4 | 176.6 | 0 | 108.9 | K346 K350 | K346-K348 PolarHBondContact O-N 3.35Å; K346-K348 VanDerWaalsContact O-N 3.09Å; K348-K350 PolarHBondContact O-N 3.02Å | ||
| 349 | R | 57.9 | Low | 49.3 | Very low | 245 Ų | 245 | 150.7 Ų | 150.7 | 93% | 0.925 | 72% | 0.717 | S | S | * | * | trans | -60.5 | 111.3 | 168.5 | -107.7 | -178 | 166.1 | 174.2 | -5.2 | 106.3 | K347 R351 | K347-R349 PolarHBondContact O-N 3.05Å; R349-R351 PolarHBondContact O-N 3.37Å | ||
| 350 | K | 43.9 | Very low | 47.7 | Very low | 156 Ų | 156 | 152 Ų | 152 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | trans | -65.1 | 102.2 | 176.3 | -170.8 | -173.2 | 177.6 | -161.8 | 0 | 106.4 | K348 E352 | K348-K350 PolarHBondContact O-N 3.02Å; K350-E352 HydrophobicContact CB-CG 4.39Å; K350-E352 HydrophobicContact CD-CG 3.65Å; K350-E352 WeakPolarHBondContact CD-OE1 3.48Å; K350-E352 VanDerWaalsContact CE-OE1 3.22Å; K350-E352 WeakPolarHBondContact CE-OE1 3.36Å; K350-E352 HydrophobicContact CG-CG 3.75Å; K350-E352 IonicContact NZ-OE1 2.63Å; K350-E352 PolarHBondContact NZ-OE1 3.29Å; K350-E352 PolarHBondContact O-N 3.42Å | ||
| 351 | R | 47.6 | Very low | 46.4 | Very low | 238 Ų | 238 | 149.2 Ų | 149.2 | 90% | 0.898 | 74% | 0.742 | S | S | * | * | trans | -67.7 | 91.3 | 163.8 | -177.8 | -179 | -177 | -174.5 | 1.4 | 105.3 | R349 K353 | R349-R351 PolarHBondContact O-N 3.37Å; R351-K353 PolarHBondContact O-N 3.21Å | ||
| 352 | E | 37.8 | Very low | 44.8 | Very low | 134 Ų | 134 | 147.3 Ų | 147.3 | 63% | 0.626 | 75% | 0.75 | S | S | * | * | trans | -66.8 | 105.2 | 172.1 | -67.3 | -167.4 | 137 | 0 | 0 | 107 | K350 M354 | K350-E352 HydrophobicContact CB-CG 4.39Å; K350-E352 HydrophobicContact CD-CG 3.65Å; K350-E352 WeakPolarHBondContact CD-OE1 3.48Å; K350-E352 VanDerWaalsContact CE-OE1 3.22Å; K350-E352 WeakPolarHBondContact CE-OE1 3.36Å; K350-E352 HydrophobicContact CG-CG 3.75Å; K350-E352 IonicContact NZ-OE1 2.63Å; K350-E352 PolarHBondContact NZ-OE1 3.29Å; K350-E352 PolarHBondContact O-N 3.42Å; E352-M354 VanDerWaalsContact C-N 3.34Å; E352-M354 PolarHBondContact O-N 3.2Å | ||
| 353 | K | 41.8 | Very low | 43.5 | Very low | 159 Ų | 159 | 151.7 Ų | 151.7 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | trans | -64.1 | 101.4 | 167 | -175.9 | -169.5 | -178.2 | -161.4 | 0 | 105.5 | R351 Q355 | R351-K353 PolarHBondContact O-N 3.21Å; K353-Q355 HydrophobicContact CG-CB 4.49Å; K353-Q355 PolarHBondContact O-N 3.3Å | ||
| 354 | M | 38 | Very low | 42.5 | Very low | 185 Ų | 185 | 158.1 Ų | 158.1 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | -62.1 | 95.4 | 164 | -80.6 | 177.9 | 144.4 | 0 | 0 | 106.9 | E352 | E352-M354 VanDerWaalsContact C-N 3.34Å; E352-M354 PolarHBondContact O-N 3.2Å | ||
| 355 | Q | 37.9 | Very low | 41.9 | Very low | 126 Ų | 126 | 163.3 Ų | 163.3 | 59% | 0.589 | 80% | 0.803 | S | S | * | * | trans | -103.1 | 95.6 | 170 | -178.9 | 162.3 | -20.5 | 0 | 0 | 105 | K353 T357 | K353-Q355 HydrophobicContact CG-CB 4.49Å; K353-Q355 PolarHBondContact O-N 3.3Å; Q355-T357 PolarHBondContact O-N 2.9Å | ||
| 356 | E | 35.1 | Very low | 41.4 | Very low | 183 Ų | 183 | 162.7 Ų | 162.7 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | -65.8 | 98 | 179.4 | -68.8 | -173.6 | 122.6 | 0 | 0 | 109.8 | A358 | E356-A358 VanDerWaalsContact C-N 3.31Å; E356-A358 PolarHBondContact O-N 3.21Å | ||
| 357 | T | 31.5 | Very low | 40.4 | Very low | 113 Ų | 113 | 161.4 Ų | 161.4 | 69% | 0.693 | 81% | 0.807 | S | S | * | * | trans | -87.7 | 75.9 | 168.2 | 52.2 | 0 | 0 | 0 | 0 | 108.6 | Q355 T359 | Q355-T357 PolarHBondContact O-N 2.9Å; T357-T359 VanDerWaalsContact C-N 3.27Å; T357-T359 PolarHBondContact O-N 3.38Å | ||
| 358 | A | 39.9 | Very low | 39.9 | Very low | 96 Ų | 96 | 155.3 Ų | 155.3 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | trans | -77.4 | 68.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E356 | E356-A358 VanDerWaalsContact C-N 3.31Å; E356-A358 PolarHBondContact O-N 3.21Å | ||
| 359 | T | 34.6 | Very low | 39 | Very low | 135 Ų | 135 | 156.4 Ų | 156.4 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | trans | -137.8 | 119 | 169.7 | 50.9 | 0 | 0 | 0 | 0 | 110.6 | T357 | T357-T359 VanDerWaalsContact C-N 3.27Å; T357-T359 PolarHBondContact O-N 3.38Å | ||
| 360 | G | 34.6 | Very low | 38.2 | Very low | 71 Ų | 71 | 155.7 Ų | 155.7 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | cis | 151.3 | 95.6 | -11.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 361 | T | 35.6 | Very low | 37.9 | Very low | 154 Ų | 154 | 155.7 Ų | 155.7 | 95% | 0.945 | 82% | 0.815 | S | S | * | * | trans | -165.6 | 136.9 | 167.9 | 32.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 362 | G | 33.6 | Very low | 37.4 | Very low | 76 Ų | 76 | 151.4 Ų | 151.4 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | 158 | 45.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 363 | Q | 36.7 | Very low | 37.4 | Very low | 176 Ų | 176 | 152.3 Ų | 152.3 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | trans | 33.5 | 89.7 | 159.3 | -66.6 | 177.8 | -30.2 | 0 | 0 | 118.7 | M365 | Q363-M365 PolarHBondContact O-N 3.48Å; Q363-M365 VanDerWaalsContact O-N 3.11Å | ||
| 364 | R | 36.3 | Very low | 37.1 | Very low | 235 Ų | 235 | 151.9 Ų | 151.9 | 89% | 0.887 | 83% | 0.828 | S | S | * | * | trans | -71.4 | 99.3 | 156 | 178.5 | 179.2 | 175.1 | 179.6 | -0.2 | 109.1 | ||||
| 365 | M | 40 | Very low | 37.1 | Very low | 161 Ų | 161 | 149.9 Ų | 149.9 | 79% | 0.793 | 82% | 0.823 | S | S | * | * | trans | -60 | 137.5 | 169.2 | -69.8 | -167.2 | -179 | 0 | 0 | 110.3 | Q363 | Q363-M365 PolarHBondContact O-N 3.48Å; Q363-M365 VanDerWaalsContact O-N 3.11Å | ||
| 366 | K | 45.2 | Very low | 37 | Very low | 198 Ų | 198 | 151.5 Ų | 151.5 | 86% | 0.861 | 84% | 0.838 | S | S | * | * | trans | -105.1 | 111.5 | 166.6 | -67 | 179.7 | -179.1 | 178.7 | 0 | 107.5 | ||||
| 367 | T | 36.7 | Very low | 37.1 | Very low | 144 Ų | 144 | 149.2 Ų | 149.2 | 88% | 0.883 | 84% | 0.837 | S | S | * | * | trans | -103.5 | 133.3 | 162.2 | 1.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 368 | A | 40.3 | Very low | 37.6 | Very low | 79 Ų | 79 | 152 Ų | 152 | 65% | 0.653 | 85% | 0.848 | S | S | * | * | trans | -126.6 | 166.3 | 176 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 369 | Y | 33 | Very low | 37.4 | Very low | 221 Ų | 221 | 156.7 Ų | 156.7 | 87% | 0.867 | 85% | 0.853 | S | S | * | * | trans | 67.9 | 150.2 | -171.5 | -60.7 | -84.6 | 0 | 0 | 0 | 114 | ||||
| 370 | I | 41.9 | Very low | 37.6 | Very low | 230 Ų | 230 | 158.6 Ų | 158.6 | 100% | 1.179 | 86% | 0.855 | S | S | * | * | cis | -102 | 0 | 3.8 | -62.4 | 171.5 | 0 | 0 | 0 | 110.4 |
Retrieved 370 of 370 residues in 209 ms
(Link to these results)