| 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 | 43.3 | Very low | 44.5 | Very low | 241 Ų | 241 | 148.5 Ų | 148.5 | 100% | 1.187 | 80% | 0.795 | S | S | * | * | 0 | 72.5 | 0 | -69.6 | -68.7 | 177 | 0 | 0 | 108.8 | |||||
| 2 | L | 45.7 | Very low | 44.5 | Very low | 179 Ų | 179 | 148 Ų | 148 | 94% | 0.937 | 79% | 0.791 | S | S | * | * | trans | -127.2 | 125 | 172.7 | -95 | 89.8 | 0 | 0 | 0 | 106.4 | ||||
| 3 | G | 44.5 | Very low | 44.3 | Very low | 70 Ų | 70 | 144.4 Ų | 144.4 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | 147.7 | 42.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 4 | I | 48.8 | Very low | 44 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -137.6 | 2.5 | 164.2 | -54 | 177.1 | 0 | 0 | 0 | 112.5 | T6 | I4-T6 PolarHBondContact O-N 2.83Š|
| 5 | W | 41.9 | Very low | 43.9 | Very low | 258 Ų | 258 | 138.5 Ų | 138.5 | 98% | 0.977 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 24.3 | -174.4 | -135.4 | 42.8 | 0 | 0 | 0 | 116 | ||
| 6 | T | 47.6 | Very low | 43.8 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.5 | 2.4 | -179.3 | 51.8 | 0 | 0 | 0 | 0 | 115.4 | I4 P9 | I4-T6 PolarHBondContact O-N 2.83Å; T6-P9 WeakPolarHBondContact O-CD 3.3Å |
| 7 | L | 43.9 | Very low | 43.9 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -96.1 | 5.6 | -179.3 | -67.3 | 178.1 | 0 | 0 | 0 | 115 | ||
| 8 | L | 45.4 | Very low | 43.8 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -95.4 | -4.7 | 179.6 | -146.3 | 71.1 | 0 | 0 | 0 | 117.3 | ||
| 9 | P | 43.5 | Very low | 43.8 | Very low | 87 Ų | 87 | 140.6 Ų | 140.6 | 57% | 0.565 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -104.1 | 1.8 | 169.1 | 25 | -10.2 | 0 | 0 | 0 | 115.1 | T6 | T6-P9 WeakPolarHBondContact O-CD 3.3Š|
| 10 | L | 40.9 | Very low | 43.8 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -87.7 | -4.1 | -177.9 | -104.6 | 142.7 | 0 | 0 | 0 | 115 | ||
| 11 | V | 44.2 | Very low | 43.3 | Very low | 110 Ų | 110 | 142.5 Ų | 142.5 | 67% | 0.667 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -97.7 | -7.5 | 176.1 | -173.4 | 0 | 0 | 0 | 0 | 112.3 | ||
| 12 | L | 44.8 | Very low | 43 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -95.9 | 2 | -179.9 | -88 | 155.6 | 0 | 0 | 0 | 114.7 | ||
| 13 | T | 42 | Very low | 42.4 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 62% | 0.62 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -106.2 | 2.7 | 176.6 | 52.7 | 0 | 0 | 0 | 0 | 114.6 | ||
| 14 | S | 39.2 | Very low | 42 | Very low | 82 Ų | 82 | 135.9 Ų | 135.9 | 57% | 0.573 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -102.7 | -10.2 | 174.7 | 52.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 15 | V | 43.3 | Very low | 41.6 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -4.1 | 178.4 | -170.1 | 0 | 0 | 0 | 0 | 113 | ||
| 16 | A | 42.5 | Very low | 41.3 | Very low | 94 Ų | 94 | 128.3 Ų | 128.3 | 78% | 0.777 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 23.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 17 | R | 44.8 | Very low | 40.8 | Very low | 217 Ų | 217 | 129.4 Ų | 129.4 | 82% | 0.819 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -127.4 | 9.5 | 177.4 | -126.5 | -171.5 | -74.2 | 162.8 | -4.3 | 115.9 | ||
| 18 | L | 42.1 | Very low | 40.5 | Very low | 173 Ų | 173 | 128.4 Ų | 128.4 | 91% | 0.906 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -140.7 | 48 | 175 | -142.5 | 78.4 | 0 | 0 | 0 | 112.6 | ||
| 19 | S | 44.5 | Very low | 40.2 | Very low | 109 Ų | 109 | 127.4 Ų | 127.4 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -150.1 | 134.3 | 158.1 | -163 | 0 | 0 | 0 | 0 | 108.3 | ||
| 20 | S | 42.5 | Very low | 40.4 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | trans | 87.8 | 57.9 | -172.6 | -40.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 21 | K | 33 | Very low | 40.6 | Very low | 209 Ų | 209 | 130 Ų | 130 | 91% | 0.909 | 74% | 0.742 | S | S | * | * | trans | -106.9 | 67.5 | 139.3 | -132.2 | 176.2 | -172.9 | -177.2 | 0 | 108.1 | V23 | K21-V23 PolarHBondContact O-N 2.93Š| ||
| 22 | S | 37.9 | Very low | 41.1 | Very low | 89 Ų | 89 | 129.8 Ų | 129.8 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | trans | -59.1 | 114 | 157.4 | 167.8 | 0 | 0 | 0 | 0 | 106.6 | N24 | S22-N24 VanDerWaalsContact C-N 3.34Å; S22-N24 PolarHBondContact O-N 3.48Å; S22-N24 VanDerWaalsContact O-N 3.09Å; S22-N24 PolarHBondContact OG-OD1 3.46Å | ||
| 23 | V | 33.6 | Very low | 41.1 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 81% | 0.806 | 75% | 0.746 | S | S | * | * | trans | -71.8 | 101 | 163.2 | 177.1 | 0 | 0 | 0 | 0 | 105.4 | K21 A25 | K21-V23 PolarHBondContact O-N 2.93Å; V23-A25 PolarHBondContact O-N 3.3Å | ||
| 24 | N | 35.2 | Very low | 41.1 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 68% | 0.684 | 74% | 0.742 | S | S | * | * | trans | -58.8 | 110.6 | 165.3 | -76.6 | 2.9 | 0 | 0 | 0 | 107.6 | S22 Q26 | S22-N24 VanDerWaalsContact C-N 3.34Å; S22-N24 PolarHBondContact O-N 3.48Å; S22-N24 VanDerWaalsContact O-N 3.09Å; S22-N24 PolarHBondContact OG-OD1 3.46Å; N24-Q26 PolarHBondContact O-N 3.19Å; N24-Q26 VanDerWaalsContact O-N 3.14Å | ||
| 25 | A | 40.8 | Very low | 41.4 | Very low | 89 Ų | 89 | 130.4 Ų | 130.4 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | trans | -64.5 | 107.9 | 155.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | V23 V27 | V23-A25 PolarHBondContact O-N 3.3Å; A25-V27 PolarHBondContact O-N 2.99Å; A25-V27 VanDerWaalsContact O-N 3.08Å | ||
| 26 | Q | 36.5 | Very low | 41.4 | Very low | 168 Ų | 168 | 130.7 Ų | 130.7 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | -70.4 | 101.8 | 164.8 | -68.4 | -166.9 | 6.1 | 0 | 0 | 107 | N24 T28 | N24-Q26 PolarHBondContact O-N 3.19Å; N24-Q26 VanDerWaalsContact O-N 3.14Å; Q26-T28 PolarHBondContact O-N 3.08Å | ||
| 27 | V | 37.2 | Very low | 41.2 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | trans | -69.3 | 101.6 | 155.5 | 173.3 | 0 | 0 | 0 | 0 | 105.4 | A25 D29 | A25-V27 PolarHBondContact O-N 2.99Å; A25-V27 VanDerWaalsContact O-N 3.08Å; V27-D29 PolarHBondContact O-N 3.08Å; V27-D29 VanDerWaalsContact O-N 3.15Å | ||
| 28 | T | 36.1 | Very low | 41.1 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 69% | 0.693 | 73% | 0.733 | S | S | * | * | trans | -70.2 | 103.9 | 161.8 | 44.3 | 0 | 0 | 0 | 0 | 107.1 | Q26 I30 | Q26-T28 PolarHBondContact O-N 3.08Å; T28-I30 PolarHBondContact O-N 3.24Å | ||
| 29 | D | 39.3 | Very low | 41.1 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 77% | 0.765 | 72% | 0.717 | S | S | * | * | trans | -55.8 | 116.4 | 165.7 | -164.1 | -29.2 | 0 | 0 | 0 | 108.3 | V27 N31 | V27-D29 PolarHBondContact O-N 3.08Å; V27-D29 VanDerWaalsContact O-N 3.15Å; D29-N31 PolarHBondContact O-N 3.02Å | ||
| 30 | I | 47.3 | Very low | 40.7 | Very low | 150 Ų | 150 | 130.5 Ų | 130.5 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | trans | -71.9 | 102.4 | 175.4 | -61.3 | 177.3 | 0 | 0 | 0 | 106.1 | T28 S32 | T28-I30 PolarHBondContact O-N 3.24Å; I30-S32 PolarHBondContact O-N 3.28Å | ||
| 31 | N | 47 | Very low | 40.9 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 63% | 0.631 | 71% | 0.708 | S | S | * | * | trans | -54.3 | 110.6 | 172.9 | -174.8 | -12.6 | 0 | 0 | 0 | 109.9 | D29 K33 G34 | D29-N31 PolarHBondContact O-N 3.02Å; N31-K33 PolarHBondContact O-N 3.39Å; N31-K33 PolarHBondContact OD1-N 3.2Å; N31-G34 PolarHBondContact O-N 3.21Å | ||
| 32 | S | 53.2 | Low | 41.3 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.7 | -8.9 | -178.7 | 177.7 | 0 | 0 | 0 | 0 | 114.8 | I30 | I30-S32 PolarHBondContact O-N 3.28Š|
| 33 | K | 45.2 | Very low | 41.7 | Very low | 178 Ų | 178 | 127.5 Ų | 127.5 | 77% | 0.774 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -6.5 | 179.6 | -62.7 | -171.8 | 177 | -178.4 | 0 | 115.5 | N31 | N31-K33 PolarHBondContact O-N 3.39Å; N31-K33 PolarHBondContact OD1-N 3.2Å |
| 34 | G | 41.7 | Very low | 42.5 | Very low | 52 Ų | 52 | 126.9 Ų | 126.9 | 54% | 0.536 | 70% | 0.698 | S | S | . | * | S | Bend | trans | -89 | -13.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | N31 | N31-G34 PolarHBondContact O-N 3.21Š|
| 35 | L | 46.1 | Very low | 42.9 | Very low | 109 Ų | 109 | 129 Ų | 129 | 57% | 0.571 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -84.8 | -25.6 | -177.2 | -169.9 | 70.8 | 0 | 0 | 0 | 112.8 | K39 | L35-K39 PolarHBondContact O-N 3.27Š|
| 36 | E | 42.3 | Very low | 42.7 | Very low | 125 Ų | 125 | 131 Ų | 131 | 58% | 0.584 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -78.2 | -27.5 | 178.9 | -76 | -66.2 | 129.1 | 0 | 0 | 112.6 | R38 T40 | E36-R38 VanDerWaalsContact C-N 3.34Å; E36-R38 PolarHBondContact O-N 3.39Å; E36-T40 PolarHBondContact O-OG1 3.46Å; E36-T40 VanDerWaalsContact O-OG1 3.12Å |
| 37 | L | 38.8 | Very low | 43.3 | Very low | 145 Ų | 145 | 132.4 Ų | 132.4 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -80.3 | -14.4 | 177.2 | -146 | 80.7 | 0 | 0 | 0 | 113.5 | ||
| 38 | R | 43.9 | Very low | 43.1 | Very low | 207 Ų | 207 | 132.3 Ų | 132.3 | 78% | 0.781 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -93.5 | -19.5 | 173.9 | -84.2 | -175 | 171.2 | -170.5 | -2.3 | 113.7 | E36 T42 | E36-R38 VanDerWaalsContact C-N 3.34Å; E36-R38 PolarHBondContact O-N 3.39Å; R38-T42 PolarHBondContact O-OG1 2.91Å |
| 39 | K | 40.7 | Very low | 43.6 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 57% | 0.574 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -79.8 | -24 | 176.8 | -79.9 | -177.4 | 178.6 | 173.9 | 0 | 113.4 | L35 | L35-K39 PolarHBondContact O-N 3.27Å |
| 40 | T | 36.9 | Very low | 43.2 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 64% | 0.638 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -92.5 | -4.3 | -175.9 | -33.6 | 0 | 0 | 0 | 0 | 114.3 | E36 | E36-T40 PolarHBondContact O-OG1 3.46Å; E36-T40 VanDerWaalsContact O-OG1 3.12Å |
| 41 | V | 46.2 | Very low | 42.7 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -100.5 | -4.7 | 177 | -178.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 42 | T | 41.5 | Very low | 42 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 73% | 0.73 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -102.6 | 29.7 | -179.5 | -26 | 0 | 0 | 0 | 0 | 112.8 | R38 | R38-T42 PolarHBondContact O-OG1 2.91Š|
| 43 | T | 47.5 | Very low | 41.4 | Very low | 109 Ų | 109 | 136 Ų | 136 | 67% | 0.669 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -143.2 | 47.1 | 177.6 | 50.7 | 0 | 0 | 0 | 0 | 112.6 | ||
| 44 | V | 49.8 | Very low | 41.8 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -150.8 | 121.9 | 156 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | ||
| 45 | E | 43.3 | Very low | 42.7 | Very low | 171 Ų | 171 | 134.3 Ų | 134.3 | 80% | 0.799 | 70% | 0.703 | S | S | * | * | trans | 63.8 | 96 | 162.5 | -71.5 | 173.7 | 146.8 | 0 | 0 | 119.8 | ||||
| 46 | T | 35.5 | Very low | 43.5 | Very low | 131 Ų | 131 | 129.8 Ų | 129.8 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | -142.8 | 71.8 | 121.1 | -40.5 | 0 | 0 | 0 | 0 | 109.1 | N48 | T46-N48 HydrophobicContact CG2-CB 4.22Å; T46-N48 PolarHBondContact O-N 3.36Å | |||
| 47 | Q | 50.1 | Low | 45.1 | Very low | 199 Ų | 199 | 129.8 Ų | 129.8 | 93% | 0.93 | 68% | 0.683 | S | S | * | * | trans | -75.8 | 88.1 | 143.1 | -75.3 | -175.6 | -16.4 | 0 | 0 | 105.8 | ||||
| 48 | N | 33.3 | Very low | 47.3 | Very low | 128 Ų | 128 | 127.9 Ų | 127.9 | 68% | 0.684 | 67% | 0.669 | S | S | * | * | trans | -148.1 | 120.3 | 156.5 | -153.6 | -41.6 | 0 | 0 | 0 | 110.2 | T46 E50 | T46-N48 HydrophobicContact CG2-CB 4.22Å; T46-N48 PolarHBondContact O-N 3.36Å; N48-E50 PolarHBondContact O-N 2.95Å | ||
| 49 | L | 47.1 | Very low | 49.4 | Very low | 157 Ų | 157 | 118.7 Ų | 118.7 | 82% | 0.822 | 64% | 0.636 | S | S | * | * | trans | -41 | 105.6 | 171.9 | -175.6 | 73.7 | 0 | 0 | 0 | 113.8 | ||||
| 50 | E | 31 | Very low | 51.8 | Low | 187 Ų | 187 | 120 Ų | 120 | 87% | 0.874 | 64% | 0.644 | S | S | * | * | trans | -124.3 | 116.5 | 149.8 | -73.1 | -172.2 | 136.3 | 0 | 0 | 107.2 | N48 L52 | N48-E50 PolarHBondContact O-N 2.95Å; E50-L52 PolarHBondContact O-N 3.37Å | ||
| 51 | G | 35.3 | Very low | 54.4 | Low | 67 Ų | 67 | 122.2 Ų | 122.2 | 69% | 0.691 | 65% | 0.645 | S | S | * | * | trans | -60.7 | 94.1 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | H53 | G51-H53 PolarHBondContact O-N 3.32Å; G51-H53 VanDerWaalsContact O-N 3.09Å | ||
| 52 | L | 33.3 | Very low | 56.8 | Low | 134 Ų | 134 | 119.5 Ų | 119.5 | 70% | 0.702 | 63% | 0.629 | S | S | * | * | trans | -74.7 | 97.1 | 161.9 | -163.1 | 69.8 | 0 | 0 | 0 | 106.7 | E50 H54 | E50-L52 PolarHBondContact O-N 3.37Å; L52-H54 VanDerWaalsContact C-N 3.29Å; L52-H54 PolarHBondContact O-CD2 2.9Å; L52-H54 PolarHBondContact O-N 3.43Å | ||
| 53 | H | 40.6 | Very low | 59.4 | Low | 161 Ų | 161 | 113.9 Ų | 113.9 | 75% | 0.745 | 60% | 0.595 | S | S | * | * | trans | -52.9 | 99.6 | 166 | -79 | -106.8 | 0 | 0 | 0 | 107.6 | G51 D55 | G51-H53 PolarHBondContact O-N 3.32Å; G51-H53 VanDerWaalsContact O-N 3.09Å; H53-D55 PolarHBondContact O-N 2.9Å | ||
| 54 | H | 53.8 | Low | 61.8 | Low | 125 Ų | 125 | 111.6 Ų | 111.6 | 58% | 0.579 | 58% | 0.582 | S | S | * | * | trans | -68 | 87 | 169.4 | -79.7 | -85.1 | 0 | 0 | 0 | 106.8 | L52 G56 Q57 | L52-H54 VanDerWaalsContact C-N 3.29Å; L52-H54 PolarHBondContact O-CD2 2.9Å; L52-H54 PolarHBondContact O-N 3.43Å; H54-G56 PolarHBondContact O-N 3.23Å; H54-Q57 HydrophobicContact CB-CB 3.88Å; H54-Q57 HydrophobicContact CB-CG 4.34Å; H54-Q57 WeakPolarHBondContact O-CB 3.33Å; H54-Q57 PolarHBondContact O-N 3.38Å | ||
| 55 | D | 60.6 | Low | 64.2 | Low | 70 Ų | 70 | 108.6 Ų | 108.6 | 37% | 0.374 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -46.4 | 111.3 | 178.4 | -111.2 | 19.2 | 0 | 0 | 0 | 109.1 | H53 S98 | H53-D55 PolarHBondContact O-N 2.9Å; D55-S98 PolarHBondContact OD2-OG 3.32Å |
| 56 | G | 63.2 | Low | 66.8 | Low | 14 Ų | 14 | 100.7 Ų | 100.7 | 14% | 0.144 | 53% | 0.53 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | 11.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | H54 F58 C59 | H54-G56 PolarHBondContact O-N 3.23Å; G56-F58 PolarHBondContact O-N 2.94Å; G56-C59 PolarHBondContact O-N 3.11Å |
| 57 | Q | 75 | Confident | 69.8 | Low | 124 Ų | 124 | 97.6 Ų | 97.6 | 58% | 0.579 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -26.1 | 179.6 | -170.9 | 62.1 | 49.8 | 0 | 0 | 114.4 | H54 | H54-Q57 HydrophobicContact CB-CB 3.88Å; H54-Q57 HydrophobicContact CB-CG 4.34Å; H54-Q57 WeakPolarHBondContact O-CB 3.33Å; H54-Q57 PolarHBondContact O-N 3.38Å |
| 58 | F | 85.4 | Confident | 72 | Confident | 105 Ų | 105 | 91.4 Ų | 91.4 | 46% | 0.461 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 6.7 | -178 | -54.1 | -61.5 | 0 | 0 | 0 | 113.7 | G56 C73 V75 | G56-F58 PolarHBondContact O-N 2.94Å; F58-C73 HydrophobicContact CB-CB 4.01Å; F58-V75 HydrophobicContact CD1-CB 4.47Å; F58-V75 HydrophobicContact CD1-CG2 3.61Å; F58-V75 HydrophobicContact CD2-CG2 4.12Å; F58-V75 HydrophobicContact CE1-CG2 3.4Å; F58-V75 HydrophobicContact CE2-CG2 3.92Å; F58-V75 HydrophobicContact CG-CG2 3.96Å; F58-V75 HydrophobicContact CZ-CG2 3.55Å |
| 59 | C | 88.4 | Confident | 75.1 | Confident | 14 Ų | 14 | 85.5 Ų | 85.5 | 10% | 0.095 | 44% | 0.442 | C | S | . | . | trans | -87.7 | 131.6 | 176.8 | -56.9 | 0 | 0 | 0 | 0 | 110.1 | G56 C73 F97 | G56-C59 PolarHBondContact O-N 3.11Å; C59-C73 WeakPolarHBondContact CA-SG 3.42Å; C59-C73 HydrophobicContact CB-CB 3.96Å; C59-C73 WeakPolarHBondContact CB-SG 3.33Å; C59-C73 WeakPolarHBondContact SG-CB 3.33Å; C59-C73 CovalentContact SG-SG 2.02Å; C59-C73 PolarHBondContact SG-SG 3.19Å; C59-F97 HydrophobicContact CB-CB 3.94Å; C59-F97 HydrophobicContact CB-CD1 3.64Å; C59-F97 HydrophobicContact CB-CG 4.24Å; C59-F97 PolarHBondContact SG-O 2.82Å | ||
| 60 | H | 89.9 | Confident | 77.4 | Confident | 161 Ų | 161 | 80 Ų | 80 | 75% | 0.745 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -90.9 | -32.2 | 177.5 | -57.2 | -67.6 | 0 | 0 | 0 | 112.1 | E79 | H60-E79 WeakPolarHBondContact CB-OE2 3.41Å; H60-E79 IonicContact CD2-OE2 3.67Å; H60-E79 IonicContact CG-OE2 3.93Å; H60-E79 PolarHBondContact N-OE1 3.38Å; H60-E79 VanDerWaalsContact N-OE1 3.13Å; H60-E79 PolarHBondContact N-OE2 2.93Å |
| 61 | K | 92.3 | Very high | 80.3 | Confident | 149 Ų | 149 | 77.4 Ų | 77.4 | 65% | 0.648 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -113.5 | 127.8 | -176.5 | -62.2 | 179.6 | -174.3 | 176.3 | 0 | 110.9 | K69 E79 F97 | K61-K69 WeakPolarHBondContact O-CE 3.4Å; K61-K69 PolarHBondContact O-NZ 3.01Å; K61-E79 PolarHBondContact N-OE1 2.91Å; K61-F97 VanDerWaalsContact C-CE1 3.43Å |
| 62 | P | 95.3 | Very high | 83 | Confident | 64 Ų | 64 | 77.6 Ų | 77.6 | 42% | 0.416 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 152.6 | 174.6 | 31.4 | -33.5 | 0 | 0 | 0 | 110.4 | A95 H96 F97 | P62-A95 HydrophobicContact CB-CB 4.33Å; P62-H96 WeakPolarHBondContact CA-O 3.37Å; P62-F97 HydrophobicContact CB-CD1 4.14Å; P62-F97 HydrophobicContact CB-CD2 4.42Å; P62-F97 HydrophobicContact CB-CE1 3.8Å; P62-F97 HydrophobicContact CB-CE2 4.06Å; P62-F97 HydrophobicContact CB-CG 4.46Å; P62-F97 HydrophobicContact CB-CZ 3.74Å; P62-F97 HydrophobicContact CG-CE1 4.19Å; P62-F97 HydrophobicContact CG-CZ 4.04Å |
| 63 | C | 97.6 | Very high | 85.7 | Confident | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.007 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -83.4 | 145.1 | 165.1 | -64.4 | 0 | 0 | 0 | 0 | 110.1 | E67 R68 C82 A95 H96 | C63-E67 HydrophobicContact CB-CB 4.17Å; C63-R68 VanDerWaalsContact SG-C 3.55Å; C63-C82 WeakPolarHBondContact CA-SG 3.05Å; C63-C82 HydrophobicContact CB-CB 3.8Å; C63-C82 WeakPolarHBondContact CB-SG 3.5Å; C63-C82 WeakPolarHBondContact SG-CB 3.02Å; C63-C82 CovalentContact SG-SG 2.04Å; C63-C82 PolarHBondContact SG-SG 2.9Å; C63-A95 CarbonylContact O-C 3.54Å; C63-A95 WeakPolarHBondContact O-CA 3.27Å; C63-A95 VanDerWaalsContact O-CB 3.25Å; C63-A95 WeakPolarHBondContact O-CB 3.25Å; C63-H96 PolarHBondContact N-O 3.2Å; C63-H96 PolarHBondContact O-N 3.47Å; C63-H96 VanDerWaalsContact O-N 3.14Å |
| 64 | P | 98.3 | Very high | 88 | Confident | 61 Ų | 61 | 68 Ų | 68 | 40% | 0.396 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 166.6 | 175.4 | 31.2 | -35.7 | 0 | 0 | 0 | 111.6 | G66 E67 | P64-G66 PolarHBondContact O-N 3.35Å; P64-E67 WeakPolarHBondContact CD-OE2 3.45Å; P64-E67 HydrophobicContact CG-CB 4.39Å; P64-E67 HydrophobicContact CG-CG 4.3Å; P64-E67 WeakPolarHBondContact CG-OE2 3.22Å; P64-E67 PolarHBondContact O-N 3.33Å |
| 65 | P | 98.6 | Very high | 89.5 | Confident | 58 Ų | 58 | 66.8 Ų | 66.8 | 38% | 0.377 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 139.7 | 170.9 | -23.3 | 33.4 | 0 | 0 | 0 | 111.6 | T92 T122 | P65-T92 CarbonylContact C-O 3.57Å; P65-T92 WeakPolarHBondContact CA-O 3.27Å; P65-T92 WeakPolarHBondContact CB-O 3.4Å; P65-T122 HydrophobicContact CB-CG2 4.07Å |
| 66 | G | 98.3 | Very high | 90.5 | Very high | 5 Ų | 5 | 71.1 Ų | 71.1 | 5% | 0.052 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | -5.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | P64 P84 C85 T92 R121 | P64-G66 PolarHBondContact O-N 3.35Å; G66-P84 WeakPolarHBondContact O-CA 3.31Å; G66-C85 PolarHBondContact O-N 2.82Å; G66-C85 PolarHBondContact O-SG 2.93Å; G66-T92 WeakPolarHBondContact CA-OG1 3.34Å; G66-T92 PolarHBondContact N-O 3.37Å; G66-T92 PolarHBondContact N-OG1 3.45Å; G66-R121 VanDerWaalsContact CA-O 3.26Å; G66-R121 WeakPolarHBondContact CA-O 3.31Å |
| 67 | E | 98.5 | Very high | 91.3 | Very high | 65 Ų | 65 | 72.2 Ų | 72.2 | 30% | 0.304 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 163.2 | -179.2 | -61.8 | -178.4 | -175.1 | 0 | 0 | 112 | C63 P64 C82 V83 T92 H96 | C63-E67 HydrophobicContact CB-CB 4.17Å; P64-E67 WeakPolarHBondContact CD-OE2 3.45Å; P64-E67 HydrophobicContact CG-CB 4.39Å; P64-E67 HydrophobicContact CG-CG 4.3Å; P64-E67 WeakPolarHBondContact CG-OE2 3.22Å; P64-E67 PolarHBondContact O-N 3.33Å; E67-C82 HydrophobicContact CB-CB 4.12Å; E67-C82 WeakPolarHBondContact OE2-CB 3.27Å; E67-V83 CarbonylContact C-O 3.43Å; E67-V83 VanDerWaalsContact CA-O 3.25Å; E67-V83 WeakPolarHBondContact CA-O 3.35Å; E67-V83 WeakPolarHBondContact CB-O 3.5Å; E67-T92 PolarHBondContact N-OG1 3.41Å; E67-T92 PolarHBondContact O-OG1 3.45Å; E67-H96 PolarHBondContact O-NE2 3.42Å |
| 68 | R | 97.5 | Very high | 91.9 | Very high | 69 Ų | 69 | 73 Ų | 73 | 26% | 0.26 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 161.1 | 174.6 | 63.6 | -179.3 | -169.5 | 72.3 | 4 | 110.1 | C63 A70 C82 V83 S99 C101 | C63-R68 VanDerWaalsContact SG-C 3.55Å; R68-A70 PolarHBondContact NH1-O 3.36Å; R68-A70 PolarHBondContact O-N 3.41Å; R68-C82 CarbonylContact O-C 3.58Å; R68-C82 WeakPolarHBondContact O-CA 3.38Å; R68-V83 HydrophobicContact CG-CG2 3.92Å; R68-V83 PolarHBondContact N-O 3.04Å; R68-V83 PolarHBondContact O-N 3.46Å; R68-S99 WeakPolarHBondContact CD-O 3.27Å; R68-S99 PolarHBondContact NH1-O 2.99Å; R68-C101 VanDerWaalsContact CD-SG 3.51Å |
| 69 | K | 96.7 | Very high | 92 | Very high | 5 Ų | 5 | 70.7 Ų | 70.7 | 2% | 0.022 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 137.8 | 169.1 | -64.8 | -75.3 | 174.6 | 174 | 0 | 110 | K61 R71 E79 P80 F97 S98 S99 | K61-K69 WeakPolarHBondContact O-CE 3.4Å; K61-K69 PolarHBondContact O-NZ 3.01Å; K69-R71 VanDerWaalsContact CB-O 3.25Å; K69-R71 WeakPolarHBondContact CB-O 3.25Å; K69-R71 PolarHBondContact O-N 3.46Å; K69-E79 IonicContact NZ-OE1 3.73Å; K69-E79 PolarHBondContact NZ-OE1 3.38Å; K69-P80 HydrophobicContact CB-CB 4.47Å; K69-P80 HydrophobicContact CD-CB 4.44Å; K69-P80 VanDerWaalsContact CD-O 3.28Å; K69-P80 WeakPolarHBondContact CD-O 3.43Å; K69-P80 PolarHBondContact NZ-O 3.28Å; K69-F97 WeakPolarHBondContact CG-O 3.49Å; K69-S98 PolarHBondContact N-O 3.05Å; K69-S98 VanDerWaalsContact N-O 3.13Å; K69-S99 VanDerWaalsContact O-CA 3.26Å; K69-S99 WeakPolarHBondContact O-CA 3.31Å; K69-S99 WeakPolarHBondContact O-CB 3.47Å |
| 70 | A | 96.1 | Very high | 92.2 | Very high | 41 Ų | 41 | 70.3 Ų | 70.3 | 34% | 0.339 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -55.9 | -37.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R68 P80 D81 V83 | R68-A70 PolarHBondContact NH1-O 3.36Å; R68-A70 PolarHBondContact O-N 3.41Å; A70-P80 HydrophobicContact CB-CB 4.31Å; A70-D81 WeakPolarHBondContact CB-O 3.25Å; A70-D81 PolarHBondContact N-O 3.05Å; A70-V83 HydrophobicContact CB-CG1 3.93Å; A70-V83 HydrophobicContact CB-CG2 4.28Å |
| 71 | R | 92.9 | Very high | 92.5 | Very high | 132 Ų | 132 | 68.9 Ų | 68.9 | 50% | 0.498 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -146.3 | 172.3 | 175.2 | 62.8 | -178.1 | -179.9 | -82.7 | -6.2 | 109.3 | K69 D78 P80 S99 | K69-R71 VanDerWaalsContact CB-O 3.25Å; K69-R71 WeakPolarHBondContact CB-O 3.25Å; K69-R71 PolarHBondContact O-N 3.46Å; R71-D78 PolarHBondContact NH2-O 3.26Å; R71-P80 HydrophobicContact CG-CB 3.81Å; R71-P80 HydrophobicContact CG-CG 3.43Å; R71-P80 VanDerWaalsContact CG-CG 3.43Å; R71-P80 WeakPolarHBondContact O-CG 3.33Å; R71-S99 VanDerWaalsContact C-CB 3.46Å |
| 72 | D | 91.9 | Very high | 92.8 | Very high | 71 Ų | 71 | 63.9 Ų | 63.9 | 38% | 0.38 | 36% | 0.358 | S | S | . | . | trans | -64.6 | 143.7 | 174.1 | -66.2 | -39.7 | 0 | 0 | 0 | 111.7 | S99 | D72-S99 WeakPolarHBondContact OD1-CB 3.45Å; D72-S99 PolarHBondContact OD1-OG 3.04Å | ||
| 73 | C | 89.9 | Confident | 93 | Very high | 13 Ų | 13 | 62.8 Ų | 62.8 | 9% | 0.088 | 35% | 0.351 | C | S | . | . | trans | -73.2 | 140.1 | 173.3 | -57.9 | 0 | 0 | 0 | 0 | 110.3 | F58 C59 | F58-C73 HydrophobicContact CB-CB 4.01Å; C59-C73 WeakPolarHBondContact CA-SG 3.42Å; C59-C73 HydrophobicContact CB-CB 3.96Å; C59-C73 WeakPolarHBondContact CB-SG 3.33Å; C59-C73 WeakPolarHBondContact SG-CB 3.33Å; C59-C73 CovalentContact SG-SG 2.02Å; C59-C73 PolarHBondContact SG-SG 3.19Å | ||
| 74 | T | 88.3 | Confident | 93 | Very high | 81 Ų | 81 | 66.5 Ų | 66.5 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | trans | -119.3 | 147.2 | 177.9 | 55.1 | 0 | 0 | 0 | 0 | 109.7 | N76 G77 | T74-N76 PolarHBondContact O-N 3.3Å; T74-N76 VanDerWaalsContact O-N 3.13Å; T74-G77 PolarHBondContact O-N 2.9Å; T74-G77 WeakPolarHBondContact OG1-CA 3.34Å; T74-G77 PolarHBondContact OG1-N 3.01Å | ||
| 75 | V | 85.4 | Confident | 93 | Very high | 99 Ų | 99 | 63.8 Ų | 63.8 | 60% | 0.6 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | -42.1 | -177.8 | -173 | 0 | 0 | 0 | 0 | 113.6 | F58 | F58-V75 HydrophobicContact CD1-CB 4.47Å; F58-V75 HydrophobicContact CD1-CG2 3.61Å; F58-V75 HydrophobicContact CD2-CG2 4.12Å; F58-V75 HydrophobicContact CE1-CG2 3.4Å; F58-V75 HydrophobicContact CE2-CG2 3.92Å; F58-V75 HydrophobicContact CG-CG2 3.96Å; F58-V75 HydrophobicContact CZ-CG2 3.55Å |
| 76 | N | 81.1 | Confident | 93 | Very high | 161 Ų | 161 | 65.9 Ų | 65.9 | 86% | 0.861 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | 7.6 | -170.5 | -58.9 | -44.7 | 0 | 0 | 0 | 113.5 | T74 | T74-N76 PolarHBondContact O-N 3.3Å; T74-N76 VanDerWaalsContact O-N 3.13Å |
| 77 | G | 80.9 | Confident | 93 | Very high | 37 Ų | 37 | 69.7 Ų | 69.7 | 38% | 0.381 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -107.6 | 156.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T74 E79 | T74-G77 PolarHBondContact O-N 2.9Å; T74-G77 WeakPolarHBondContact OG1-CA 3.34Å; T74-G77 PolarHBondContact OG1-N 3.01Å; G77-E79 PolarHBondContact O-N 2.95Å |
| 78 | D | 85.9 | Confident | 92.8 | Very high | 140 Ų | 140 | 68.8 Ų | 68.8 | 75% | 0.749 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 135.6 | 173.7 | -60.4 | -54.4 | 0 | 0 | 0 | 110.7 | R71 P80 | R71-D78 PolarHBondContact NH2-O 3.26Å; D78-P80 WeakPolarHBondContact O-CD 3.44Å |
| 79 | E | 88.5 | Confident | 92.8 | Very high | 58 Ų | 58 | 71.4 Ų | 71.4 | 27% | 0.271 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 123.4 | -178.9 | -174.5 | 158.8 | -177 | 0 | 0 | 110.1 | H60 K61 K69 G77 | H60-E79 WeakPolarHBondContact CB-OE2 3.41Å; H60-E79 IonicContact CD2-OE2 3.67Å; H60-E79 IonicContact CG-OE2 3.93Å; H60-E79 PolarHBondContact N-OE1 3.38Å; H60-E79 VanDerWaalsContact N-OE1 3.13Å; H60-E79 PolarHBondContact N-OE2 2.93Å; K61-E79 PolarHBondContact N-OE1 2.91Å; K69-E79 IonicContact NZ-OE1 3.73Å; K69-E79 PolarHBondContact NZ-OE1 3.38Å; G77-E79 PolarHBondContact O-N 2.95Å |
| 80 | P | 93.1 | Very high | 92.9 | Very high | 5 Ų | 5 | 73.5 Ų | 73.5 | 3% | 0.032 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 142.3 | -178 | -22.1 | 33.7 | 0 | 0 | 0 | 112.8 | K69 A70 R71 D78 | K69-P80 HydrophobicContact CB-CB 4.47Å; K69-P80 HydrophobicContact CD-CB 4.44Å; K69-P80 VanDerWaalsContact CD-O 3.28Å; K69-P80 WeakPolarHBondContact CD-O 3.43Å; K69-P80 PolarHBondContact NZ-O 3.28Å; A70-P80 HydrophobicContact CB-CB 4.31Å; R71-P80 HydrophobicContact CG-CB 3.81Å; R71-P80 HydrophobicContact CG-CG 3.43Å; R71-P80 VanDerWaalsContact CG-CG 3.43Å; R71-P80 WeakPolarHBondContact O-CG 3.33Å; D78-P80 WeakPolarHBondContact O-CD 3.44Å |
| 81 | D | 96.3 | Very high | 93 | Very high | 132 Ų | 132 | 72.5 Ų | 72.5 | 71% | 0.706 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 155.4 | 170.3 | -65.8 | -44.2 | 0 | 0 | 0 | 111.8 | A70 | A70-D81 WeakPolarHBondContact CB-O 3.25Å; A70-D81 PolarHBondContact N-O 3.05Å |
| 82 | C | 98 | Very high | 93.3 | Very high | 43 Ų | 43 | 66.4 Ų | 66.4 | 29% | 0.291 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 133.9 | 171.5 | -60.4 | 0 | 0 | 0 | 0 | 109.9 | C63 E67 R68 | C63-C82 WeakPolarHBondContact CA-SG 3.05Å; C63-C82 HydrophobicContact CB-CB 3.8Å; C63-C82 WeakPolarHBondContact CB-SG 3.5Å; C63-C82 WeakPolarHBondContact SG-CB 3.02Å; C63-C82 CovalentContact SG-SG 2.04Å; C63-C82 PolarHBondContact SG-SG 2.9Å; E67-C82 HydrophobicContact CB-CB 4.12Å; E67-C82 WeakPolarHBondContact OE2-CB 3.27Å; R68-C82 CarbonylContact O-C 3.58Å; R68-C82 WeakPolarHBondContact O-CA 3.38Å |
| 83 | V | 98.4 | Very high | 93.6 | Very high | 42 Ų | 42 | 66.6 Ų | 66.6 | 26% | 0.255 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 146.4 | 179.5 | -63.6 | 0 | 0 | 0 | 0 | 109.6 | E67 R68 A70 | E67-V83 CarbonylContact C-O 3.43Å; E67-V83 VanDerWaalsContact CA-O 3.25Å; E67-V83 WeakPolarHBondContact CA-O 3.35Å; E67-V83 WeakPolarHBondContact CB-O 3.5Å; R68-V83 HydrophobicContact CG-CG2 3.92Å; R68-V83 PolarHBondContact N-O 3.04Å; R68-V83 PolarHBondContact O-N 3.46Å; A70-V83 HydrophobicContact CB-CG1 3.93Å; A70-V83 HydrophobicContact CB-CG2 4.28Å |
| 84 | P | 98.6 | Very high | 94 | Very high | 79 Ų | 79 | 73.2 Ų | 73.2 | 51% | 0.513 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 147 | -176.1 | 26.7 | -35 | 0 | 0 | 0 | 112.3 | G66 | G66-P84 WeakPolarHBondContact O-CA 3.31Å |
| 85 | C | 98.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 72.2 Ų | 72.2 | 2% | 0.02 | 40% | 0.402 | C | S | . | . | trans | -63.4 | 158.1 | 166.8 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | G66 E87 E90 C101 R121 | G66-C85 PolarHBondContact O-N 2.82Å; G66-C85 PolarHBondContact O-SG 2.93Å; C85-E87 PolarHBondContact O-N 3.34Å; C85-E90 HydrophobicContact CB-CB 4.12Å; C85-C101 WeakPolarHBondContact CA-SG 3.47Å; C85-C101 HydrophobicContact CB-CB 3.85Å; C85-C101 WeakPolarHBondContact CB-SG 3.48Å; C85-C101 WeakPolarHBondContact SG-CB 3.5Å; C85-C101 CovalentContact SG-SG 2.03Å; C85-C101 PolarHBondContact SG-SG 2.86Å; C85-R121 HydrophobicContact CB-CG 4.22Å; C85-R121 PolarHBondContact O-NE 2.79Å | ||
| 86 | Q | 98.3 | Very high | 94.8 | Very high | 103 Ų | 103 | 69.2 Ų | 69.2 | 48% | 0.481 | 38% | 0.382 | S | S | . | . | trans | -72 | 110.8 | 174.3 | -171.7 | 167.1 | 23.9 | 0 | 0 | 110.7 | G88 K89 E90 | Q86-G88 PolarHBondContact O-N 3.13Å; Q86-K89 HydrophobicContact CB-CB 4.32Å; Q86-K89 HydrophobicContact CG-CB 4.12Å; Q86-K89 HydrophobicContact CG-CD 4.15Å; Q86-K89 HydrophobicContact CG-CG 4.27Å; Q86-K89 PolarHBondContact O-N 3.49Å; Q86-E90 HydrophobicContact CB-CG 4.45Å; Q86-E90 PolarHBondContact O-N 2.04Å | ||
| 87 | E | 97.4 | Very high | 95.5 | Very high | 85 Ų | 85 | 65.4 Ų | 65.4 | 40% | 0.397 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 134 | -179.7 | -169 | 68 | -124 | 0 | 0 | 111.7 | C85 K89 T120 R121 | C85-E87 PolarHBondContact O-N 3.34Å; E87-K89 PolarHBondContact O-N 3.29Å; E87-K89 VanDerWaalsContact O-N 3.13Å; E87-T120 WeakPolarHBondContact OE1-CA 3.43Å; E87-R121 PolarHBondContact OE1-N 2.73Å; E87-R121 WeakPolarHBondContact OE2-CD 3.49Å; E87-R121 VanDerWaalsContact OE2-CG 3.26Å; E87-R121 WeakPolarHBondContact OE2-CG 3.49Å; E87-R121 IonicContact OE2-CZ 2.62Å; E87-R121 IonicContact OE2-NE 2.73Å; E87-R121 PolarHBondContact OE2-NE 2.72Å; E87-R121 IonicContact OE2-NH1 3.33Å; E87-R121 PolarHBondContact OE2-NH1 3.3Å |
| 88 | G | 95.5 | Very high | 96.2 | Very high | 45 Ų | 45 | 64.6 Ų | 64.6 | 46% | 0.464 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | -4.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116 | Q86 | Q86-G88 PolarHBondContact O-N 3.13Š|
| 89 | K | 97.9 | Very high | 96.6 | Very high | 125 Ų | 125 | 58.5 Ų | 58.5 | 54% | 0.543 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -32.6 | 178.5 | -59.1 | -167 | -167.1 | 167.8 | 0 | 113.6 | Q86 E87 C104 | Q86-K89 HydrophobicContact CB-CB 4.32Å; Q86-K89 HydrophobicContact CG-CB 4.12Å; Q86-K89 HydrophobicContact CG-CD 4.15Å; Q86-K89 HydrophobicContact CG-CG 4.27Å; Q86-K89 PolarHBondContact O-N 3.49Å; E87-K89 PolarHBondContact O-N 3.29Å; E87-K89 VanDerWaalsContact O-N 3.13Å; K89-C104 PolarHBondContact O-N 3.39Å; K89-C104 PolarHBondContact O-SG 2.86Å; K89-C104 VanDerWaalsContact O-SG 3.33Å |
| 90 | E | 98.5 | Very high | 97 | Very high | 49 Ų | 49 | 61.7 Ų | 61.7 | 23% | 0.229 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 151.6 | -179.2 | -57.9 | -175.9 | 150.2 | 0 | 0 | 111.9 | C85 Q86 C101 R102 C104 | C85-E90 HydrophobicContact CB-CB 4.12Å; Q86-E90 HydrophobicContact CB-CG 4.45Å; Q86-E90 PolarHBondContact O-N 2.04Å; E90-C101 HydrophobicContact CB-CB 3.64Å; E90-C101 HydrophobicContact CG-CB 4.41Å; E90-R102 CarbonylContact C-O 3.34Å; E90-R102 WeakPolarHBondContact CA-O 3.28Å; E90-R102 WeakPolarHBondContact CB-O 3.45Å; E90-C104 PolarHBondContact N-SG 2.02Å; E90-C104 VanDerWaalsContact N-SG 3.36Å |
| 91 | Y | 98.5 | Very high | 97.2 | Very high | 20 Ų | 20 | 62.3 Ų | 62.3 | 8% | 0.078 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 157.5 | -179.3 | 81.9 | -78.2 | 0 | 0 | 0 | 112.4 | D93 R102 R103 T120 R121 N124 | Y91-D93 HydrophobicContact CD2-CB 4.28Å; Y91-D93 HydrophobicContact CE2-CB 4.13Å; Y91-R102 HydrophobicContact CD1-CB 4.05Å; Y91-R102 WeakPolarHBondContact CD1-O 3.37Å; Y91-R102 HydrophobicContact CE1-CB 3.66Å; Y91-R102 PolarHBondContact N-O 2.91Å; Y91-R102 WeakPolarHBondContact O-CB 3.36Å; Y91-R102 PolarHBondContact O-N 3.4Å; Y91-R103 WeakPolarHBondContact CE1-O 3.04Å; Y91-T120 WeakPolarHBondContact CB-O 3.01Å; Y91-R121 CarbonylContact C-O 3.59Å; Y91-R121 WeakPolarHBondContact CA-O 3.04Å; Y91-R121 WeakPolarHBondContact CB-O 3.38Å; Y91-N124 HydrophobicContact CD1-CB 4.05Å; Y91-N124 HydrophobicContact CD2-CB 4.1Å; Y91-N124 HydrophobicContact CE1-CB 3.59Å; Y91-N124 WeakPolarHBondContact CE1-OD1 3.46Å; Y91-N124 HydrophobicContact CE2-CB 3.66Å; Y91-N124 HydrophobicContact CG-CB 4.29Å; Y91-N124 VanDerWaalsContact CZ-CG 3.46Å; Y91-N124 PolarHBondContact OH-ND2 2.85Å |
| 92 | T | 98.3 | Very high | 97.3 | Very high | 4 Ų | 4 | 63 Ų | 63 | 3% | 0.025 | 32% | 0.324 | C | S | . | . | trans | -139.2 | 117.3 | 166.9 | 58.6 | 0 | 0 | 0 | 0 | 108 | P65 G66 E67 H96 C101 R121 T122 | P65-T92 CarbonylContact C-O 3.57Å; P65-T92 WeakPolarHBondContact CA-O 3.27Å; P65-T92 WeakPolarHBondContact CB-O 3.4Å; G66-T92 WeakPolarHBondContact CA-OG1 3.34Å; G66-T92 PolarHBondContact N-O 3.37Å; G66-T92 PolarHBondContact N-OG1 3.45Å; E67-T92 PolarHBondContact N-OG1 3.41Å; E67-T92 PolarHBondContact O-OG1 3.45Å; T92-H96 WeakPolarHBondContact CG2-NE2 3.24Å; T92-C101 HydrophobicContact CG2-CB 3.85Å; T92-R121 PolarHBondContact N-O 2.74Å; T92-T122 WeakPolarHBondContact O-CA 3.05Å | ||
| 93 | D | 97.9 | Very high | 97.3 | Very high | 74 Ų | 74 | 71 Ų | 71 | 40% | 0.396 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -89.7 | -12.2 | -174.2 | 60.9 | -21.2 | 0 | 0 | 0 | 113.3 | Y91 T122 | Y91-D93 HydrophobicContact CD2-CB 4.28Å; Y91-D93 HydrophobicContact CE2-CB 4.13Å; D93-T122 WeakPolarHBondContact CA-O 3.37Å |
| 94 | K | 97.7 | Very high | 97.3 | Very high | 152 Ų | 152 | 69.9 Ų | 69.9 | 66% | 0.661 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -138.1 | 154.4 | -179.2 | -62.8 | -176.2 | -176.9 | -177.1 | 0 | 110 | H96 | K94-H96 PolarHBondContact O-CD2 2.88Š|
| 95 | A | 97.1 | Very high | 97.1 | Very high | 60 Ų | 60 | 70.9 Ų | 70.9 | 50% | 0.496 | 34% | 0.336 | S | S | . | . | trans | -63.5 | 140.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | P62 C63 | P62-A95 HydrophobicContact CB-CB 4.33Å; C63-A95 CarbonylContact O-C 3.54Å; C63-A95 WeakPolarHBondContact O-CA 3.27Å; C63-A95 VanDerWaalsContact O-CB 3.25Å; C63-A95 WeakPolarHBondContact O-CB 3.25Å | ||
| 96 | H | 95.3 | Very high | 97 | Very high | 37 Ų | 37 | 78.3 Ų | 78.3 | 17% | 0.171 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -154 | 171.7 | -178.7 | 68.1 | 82 | 0 | 0 | 0 | 112.9 | P62 C63 E67 T92 K94 S98 K100 | P62-H96 WeakPolarHBondContact CA-O 3.37Å; C63-H96 PolarHBondContact N-O 3.2Å; C63-H96 PolarHBondContact O-N 3.47Å; C63-H96 VanDerWaalsContact O-N 3.14Å; E67-H96 PolarHBondContact O-NE2 3.42Å; T92-H96 WeakPolarHBondContact CG2-NE2 3.24Å; K94-H96 PolarHBondContact O-CD2 2.88Å; H96-S98 PolarHBondContact CE1-O 2.76Å; H96-S98 PolarHBondContact ND1-N 3.16Å; H96-S98 PolarHBondContact ND1-O 3.49Å; H96-K100 PolarHBondContact CE1-O 3.26Å |
| 97 | F | 95.2 | Very high | 96.9 | Very high | 81 Ų | 81 | 74.2 Ų | 74.2 | 36% | 0.355 | 36% | 0.357 | S | S | . | . | trans | -105 | -8.3 | -178.7 | -61.2 | -87.3 | 0 | 0 | 0 | 114 | C59 K61 P62 K69 | C59-F97 HydrophobicContact CB-CB 3.94Å; C59-F97 HydrophobicContact CB-CD1 3.64Å; C59-F97 HydrophobicContact CB-CG 4.24Å; C59-F97 PolarHBondContact SG-O 2.82Å; K61-F97 VanDerWaalsContact C-CE1 3.43Å; P62-F97 HydrophobicContact CB-CD1 4.14Å; P62-F97 HydrophobicContact CB-CD2 4.42Å; P62-F97 HydrophobicContact CB-CE1 3.8Å; P62-F97 HydrophobicContact CB-CE2 4.06Å; P62-F97 HydrophobicContact CB-CG 4.46Å; P62-F97 HydrophobicContact CB-CZ 3.74Å; P62-F97 HydrophobicContact CG-CE1 4.19Å; P62-F97 HydrophobicContact CG-CZ 4.04Å; K69-F97 WeakPolarHBondContact CG-O 3.49Å | ||
| 98 | S | 94.4 | Very high | 96.8 | Very high | 19 Ų | 19 | 74.1 Ų | 74.1 | 13% | 0.133 | 36% | 0.359 | C | S | . | . | trans | -66.2 | 153 | 178.2 | 179.7 | 0 | 0 | 0 | 0 | 113 | D55 K69 H96 K100 | D55-S98 PolarHBondContact OD2-OG 3.32Å; K69-S98 PolarHBondContact N-O 3.05Å; K69-S98 VanDerWaalsContact N-O 3.13Å; H96-S98 PolarHBondContact CE1-O 2.76Å; H96-S98 PolarHBondContact ND1-N 3.16Å; H96-S98 PolarHBondContact ND1-O 3.49Å; S98-K100 VanDerWaalsContact C-N 3.26Å; S98-K100 PolarHBondContact OG-N 2.84Å; S98-K100 VanDerWaalsContact OG-N 3.1Å | ||
| 99 | S | 95.6 | Very high | 96.7 | Very high | 12 Ų | 12 | 78.6 Ų | 78.6 | 8% | 0.084 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -84 | 5.8 | 170.2 | 68.3 | 0 | 0 | 0 | 0 | 114 | R68 K69 R71 D72 | R68-S99 WeakPolarHBondContact CD-O 3.27Å; R68-S99 PolarHBondContact NH1-O 2.99Å; K69-S99 VanDerWaalsContact O-CA 3.26Å; K69-S99 WeakPolarHBondContact O-CA 3.31Å; K69-S99 WeakPolarHBondContact O-CB 3.47Å; R71-S99 VanDerWaalsContact C-CB 3.46Å; D72-S99 WeakPolarHBondContact OD1-CB 3.45Å; D72-S99 PolarHBondContact OD1-OG 3.04Å |
| 100 | K | 96.3 | Very high | 96.5 | Very high | 126 Ų | 126 | 75.9 Ų | 75.9 | 55% | 0.548 | 38% | 0.376 | S | S | . | . | trans | -121.5 | 141.9 | -176 | -65 | 170.5 | -175.7 | 152 | 0 | 112 | H96 S98 | H96-K100 PolarHBondContact CE1-O 3.26Å; S98-K100 VanDerWaalsContact C-N 3.26Å; S98-K100 PolarHBondContact OG-N 2.84Å; S98-K100 VanDerWaalsContact OG-N 3.1Å | ||
| 101 | C | 98.1 | Very high | 96.4 | Very high | 17 Ų | 17 | 78.1 Ų | 78.1 | 12% | 0.115 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -90.8 | 162.5 | 165.8 | -63.2 | 0 | 0 | 0 | 0 | 110.6 | R68 C85 E90 T92 | R68-C101 VanDerWaalsContact CD-SG 3.51Å; C85-C101 WeakPolarHBondContact CA-SG 3.47Å; C85-C101 HydrophobicContact CB-CB 3.85Å; C85-C101 WeakPolarHBondContact CB-SG 3.48Å; C85-C101 WeakPolarHBondContact SG-CB 3.5Å; C85-C101 CovalentContact SG-SG 2.03Å; C85-C101 PolarHBondContact SG-SG 2.86Å; E90-C101 HydrophobicContact CB-CB 3.64Å; E90-C101 HydrophobicContact CG-CB 4.41Å; T92-C101 HydrophobicContact CG2-CB 3.85Å |
| 102 | R | 98 | Very high | 96.3 | Very high | 148 Ų | 148 | 77.3 Ų | 77.3 | 56% | 0.558 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 142.1 | 173.4 | -59.4 | 179.1 | 177.8 | -165.8 | -2.1 | 109.3 | E90 Y91 | E90-R102 CarbonylContact C-O 3.34Å; E90-R102 WeakPolarHBondContact CA-O 3.28Å; E90-R102 WeakPolarHBondContact CB-O 3.45Å; Y91-R102 HydrophobicContact CD1-CB 4.05Å; Y91-R102 WeakPolarHBondContact CD1-O 3.37Å; Y91-R102 HydrophobicContact CE1-CB 3.66Å; Y91-R102 PolarHBondContact N-O 2.91Å; Y91-R102 WeakPolarHBondContact O-CB 3.36Å; Y91-R102 PolarHBondContact O-N 3.4Å |
| 103 | R | 98.2 | Very high | 96.2 | Very high | 211 Ų | 211 | 77.6 Ų | 77.6 | 80% | 0.796 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 139 | 173.6 | -68.4 | -174.6 | -179.9 | 170.7 | 1.3 | 110.5 | Y91 | Y91-R103 WeakPolarHBondContact CE1-O 3.04Å |
| 104 | C | 97.9 | Very high | 96.1 | Very high | 18 Ų | 18 | 76.3 Ų | 76.3 | 12% | 0.122 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 137.5 | 171.7 | -62.1 | 0 | 0 | 0 | 0 | 110.1 | K89 E90 C119 N124 | K89-C104 PolarHBondContact O-N 3.39Å; K89-C104 PolarHBondContact O-SG 2.86Å; K89-C104 VanDerWaalsContact O-SG 3.33Å; E90-C104 PolarHBondContact N-SG 2.02Å; E90-C104 VanDerWaalsContact N-SG 3.36Å; C104-C119 HydrophobicContact CB-CB 3.55Å; C104-C119 WeakPolarHBondContact CB-SG 3.08Å; C104-C119 WeakPolarHBondContact SG-CB 3.39Å; C104-C119 CovalentContact SG-SG 2.01Å; C104-C119 PolarHBondContact SG-SG 2.79Å; C104-N124 WeakPolarHBondContact CA-OD1 3.46Å |
| 105 | R | 95.1 | Very high | 96.1 | Very high | 99 Ų | 99 | 72.3 Ų | 72.3 | 37% | 0.374 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 147.9 | 172.4 | 74.4 | 171.6 | 173.1 | 160.1 | -8.4 | 110.1 | N124 T125 | R105-N124 PolarHBondContact N-OD1 3.48Å; R105-T125 PolarHBondContact NE-O 2.82Å; R105-T125 PolarHBondContact NH2-O 3.13Å; R105-T125 VanDerWaalsContact O-CB 3.23Å; R105-T125 WeakPolarHBondContact O-CB 3.49Å; R105-T125 PolarHBondContact O-OG1 3.4Å |
| 106 | L | 95.3 | Very high | 96 | Very high | 159 Ų | 159 | 74.6 Ų | 74.6 | 83% | 0.832 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -96.4 | 146.7 | 170.8 | -58.9 | 178 | 0 | 0 | 0 | 109.1 | ||
| 107 | C | 95.8 | Very high | 96 | Very high | 18 Ų | 18 | 76 Ų | 76 | 12% | 0.122 | 37% | 0.373 | C | S | . | . | trans | -98.1 | 100.4 | 171.3 | -51.7 | 0 | 0 | 0 | 0 | 107 | E109 L113 V115 C127 | C107-E109 PolarHBondContact O-N 3.3Å; C107-L113 HydrophobicContact CB-CB 4.16Å; C107-V115 HydrophobicContact CB-CG2 4.01Å; C107-C127 WeakPolarHBondContact CA-SG 3.16Å; C107-C127 HydrophobicContact CB-CB 3.77Å; C107-C127 WeakPolarHBondContact CB-SG 3.5Å; C107-C127 WeakPolarHBondContact SG-CA 3.49Å; C107-C127 WeakPolarHBondContact SG-CB 3.14Å; C107-C127 CovalentContact SG-SG 2.03Å; C107-C127 PolarHBondContact SG-SG 3.07Å | ||
| 108 | D | 95.4 | Very high | 96.2 | Very high | 83 Ų | 83 | 77.9 Ų | 77.9 | 44% | 0.444 | 39% | 0.387 | S | S | . | . | trans | -71.8 | 114.5 | -176 | -168.8 | -19.2 | 0 | 0 | 0 | 110.5 | G110 H111 L113 | D108-G110 PolarHBondContact O-N 3.21Å; D108-G110 PolarHBondContact OD1-N 3.25Å; D108-H111 HydrophobicContact CB-CB 4.15Å; D108-H111 PolarHBondContact O-N 2.99Å; D108-H111 IonicContact OD2-CE1 3.1Å; D108-H111 IonicContact OD2-ND1 3.98Å; D108-L113 WeakPolarHBondContact O-CB 3.3Å; D108-L113 PolarHBondContact O-N 2.89Å | ||
| 109 | E | 94.4 | Very high | 96.3 | Very high | 138 Ų | 138 | 77.5 Ų | 77.5 | 65% | 0.645 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -60.2 | -30.9 | 177.3 | -77.2 | -152.6 | -159.2 | 0 | 0 | 113.6 | C107 H111 G112 L113 K130 | C107-E109 PolarHBondContact O-N 3.3Å; E109-H111 VanDerWaalsContact C-N 3.27Å; E109-G112 PolarHBondContact O-N 3.21Å; E109-L113 WeakPolarHBondContact CA-O 3.43Å; E109-K130 VanDerWaalsContact CD-NZ 3.35Å; E109-K130 VanDerWaalsContact CG-NZ 3.34Å; E109-K130 PolarHBondContact O-NZ 3.11Å; E109-K130 IonicContact OE2-NZ 2.74Å; E109-K130 PolarHBondContact OE2-NZ 3.24Å |
| 110 | G | 94.2 | Very high | 96.5 | Very high | 69 Ų | 69 | 79.3 Ų | 79.3 | 71% | 0.711 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -71.5 | -22.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D108 G112 | D108-G110 PolarHBondContact O-N 3.21Å; D108-G110 PolarHBondContact OD1-N 3.25Å; G110-G112 VanDerWaalsContact C-N 3.28Å |
| 111 | H | 95.6 | Very high | 96.6 | Very high | 96 Ų | 96 | 78.1 Ų | 78.1 | 44% | 0.444 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -90.1 | 12.7 | 171.5 | -67.7 | 171 | 0 | 0 | 0 | 113 | D108 E109 L113 H142 C143 | D108-H111 HydrophobicContact CB-CB 4.15Å; D108-H111 PolarHBondContact O-N 2.99Å; D108-H111 IonicContact OD2-CE1 3.1Å; D108-H111 IonicContact OD2-ND1 3.98Å; E109-H111 VanDerWaalsContact C-N 3.27Å; H111-L113 VanDerWaalsContact C-N 3.26Å; H111-L113 HydrophobicContact CB-CD1 4.22Å; H111-L113 PolarHBondContact O-N 3.06Å; H111-H142 HydrophobicContact CB-CB 3.88Å; H111-H142 WeakPolarHBondContact O-CA 3.37Å; H111-C143 PolarHBondContact O-N 2.84Å |
| 112 | G | 95.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 80.9 Ų | 80.9 | 2% | 0.021 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71 | 20.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E109 G110 C129 K130 | E109-G112 PolarHBondContact O-N 3.21Å; G110-G112 VanDerWaalsContact C-N 3.28Å; G112-C129 WeakPolarHBondContact O-CA 3.38Å; G112-K130 WeakPolarHBondContact O-CB 2.94Å; G112-K130 PolarHBondContact O-N 2.02Å |
| 113 | L | 96.9 | Very high | 96.6 | Very high | 11 Ų | 11 | 77.2 Ų | 77.2 | 6% | 0.058 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 153.2 | 178.3 | -65.7 | 162.8 | 0 | 0 | 0 | 111.3 | C107 D108 E109 H111 C127 R128 K130 E141 C143 | C107-L113 HydrophobicContact CB-CB 4.16Å; D108-L113 WeakPolarHBondContact O-CB 3.3Å; D108-L113 PolarHBondContact O-N 2.89Å; E109-L113 WeakPolarHBondContact CA-O 3.43Å; H111-L113 VanDerWaalsContact C-N 3.26Å; H111-L113 HydrophobicContact CB-CD1 4.22Å; H111-L113 PolarHBondContact O-N 3.06Å; L113-C127 HydrophobicContact CD2-CB 4.22Å; L113-R128 CarbonylContact C-O 3.56Å; L113-R128 WeakPolarHBondContact CA-O 3.02Å; L113-K130 VanDerWaalsContact O-CE 3.28Å; L113-K130 WeakPolarHBondContact O-CE 3.4Å; L113-E141 WeakPolarHBondContact CD1-O 3.49Å; L113-C143 VanDerWaalsContact CD2-SG 3.52Å |
| 114 | E | 96.1 | Very high | 96.5 | Very high | 47 Ų | 47 | 69 Ų | 69 | 22% | 0.22 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 160.8 | 169.9 | 62.4 | 177.7 | -146.9 | 0 | 0 | 110.8 | E116 C127 R128 K130 P131 | E114-E116 PolarHBondContact O-N 3.37Å; E114-C127 VanDerWaalsContact O-CA 3.31Å; E114-C127 WeakPolarHBondContact O-CA 3.46Å; E114-R128 HydrophobicContact CG-CG 3.74Å; E114-R128 PolarHBondContact N-O 2.92Å; E114-R128 PolarHBondContact O-N 2.84Å; E114-R128 IonicContact OE1-CZ 3.98Å; E114-R128 IonicContact OE1-NE 2.82Å; E114-R128 PolarHBondContact OE1-NE 3.42Å; E114-R128 IonicContact OE1-NH2 3.04Å; E114-R128 PolarHBondContact OE1-NH2 2.04Å; E114-K130 HydrophobicContact CB-CG 3.88Å; E114-K130 HydrophobicContact CG-CG 4.06Å; E114-P131 WeakPolarHBondContact OE2-CD 3.4Å |
| 115 | V | 96.6 | Very high | 96.5 | Very high | 67 Ų | 67 | 68.7 Ų | 68.7 | 41% | 0.406 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 122.2 | 178.7 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | C107 N118 T125 | C107-V115 HydrophobicContact CB-CG2 4.01Å; V115-N118 WeakPolarHBondContact CG1-OD1 3.37Å; V115-T125 HydrophobicContact CG1-CG2 3.96Å; V115-T125 HydrophobicContact CG2-CG2 4.22Å |
| 116 | E | 95.3 | Very high | 96.5 | Very high | 108 Ų | 108 | 68.3 Ų | 68.3 | 51% | 0.505 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -45.8 | 169.5 | -173.9 | 179.9 | -162.3 | 0 | 0 | 111 | E114 K126 R128 | E114-E116 PolarHBondContact O-N 3.37Å; E116-K126 HydrophobicContact CB-CB 4.47Å; E116-K126 WeakPolarHBondContact CB-O 2.9Å; E116-K126 PolarHBondContact N-O 2.82Å; E116-R128 HydrophobicContact CB-CB 4.12Å; E116-R128 HydrophobicContact CB-CG 3.91Å; E116-R128 HydrophobicContact CG-CG 4.49Å |
| 117 | I | 96.5 | Very high | 96.5 | Very high | 68 Ų | 68 | 61.7 Ų | 61.7 | 35% | 0.349 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 128.8 | 178.2 | -48.4 | -175 | 0 | 0 | 0 | 108.8 | T125 K126 | I117-T125 CarbonylContact O-C 3.6Å; I117-T125 WeakPolarHBondContact O-CA 3.12Å; I117-T125 WeakPolarHBondContact O-CG2 3.42Å; I117-K126 HydrophobicContact CB-CB 3.89Å; I117-K126 HydrophobicContact CB-CG 4.17Å; I117-K126 HydrophobicContact CD1-CB 4.4Å; I117-K126 HydrophobicContact CD1-CD 3.75Å; I117-K126 HydrophobicContact CD1-CG 4.26Å; I117-K126 HydrophobicContact CG1-CB 4.04Å; I117-K126 HydrophobicContact CG1-CD 4.32Å; I117-K126 HydrophobicContact CG1-CG 4.37Å; I117-K126 PolarHBondContact N-O 2.03Å; I117-K126 VanDerWaalsContact N-O 3.11Å; I117-K126 PolarHBondContact O-N 2.81Å |
| 118 | N | 97.8 | Very high | 96.5 | Very high | 120 Ų | 120 | 65.7 Ų | 65.7 | 64% | 0.642 | 34% | 0.342 | S | S | * | . | trans | -65 | 150.2 | 176.8 | -71.3 | -38.3 | 0 | 0 | 0 | 111.6 | V115 | V115-N118 WeakPolarHBondContact CG1-OD1 3.37Š| ||
| 119 | C | 98.1 | Very high | 96.5 | Very high | 11 Ų | 11 | 62.1 Ų | 62.1 | 7% | 0.074 | 32% | 0.323 | C | S | . | . | trans | -64 | 137.3 | 171.8 | -160.2 | 0 | 0 | 0 | 0 | 110.7 | C104 Q123 T125 | C104-C119 HydrophobicContact CB-CB 3.55Å; C104-C119 WeakPolarHBondContact CB-SG 3.08Å; C104-C119 WeakPolarHBondContact SG-CB 3.39Å; C104-C119 CovalentContact SG-SG 2.01Å; C104-C119 PolarHBondContact SG-SG 2.79Å; C119-Q123 WeakPolarHBondContact CA-O 3.42Å; C119-Q123 PolarHBondContact SG-O 2.86Å; C119-T125 WeakPolarHBondContact CB-OG1 3Å | ||
| 120 | T | 98.3 | Very high | 96.6 | Very high | 49 Ų | 49 | 57.5 Ų | 57.5 | 30% | 0.301 | 30% | 0.301 | S | S | . | . | B | Isolated β-bridge | trans | -121.6 | 169.4 | 169 | 73.6 | 0 | 0 | 0 | 0 | 109.7 | E87 Y91 T122 Q123 | E87-T120 WeakPolarHBondContact OE1-CA 3.43Å; Y91-T120 WeakPolarHBondContact CB-O 3.01Å; T120-T122 PolarHBondContact O-N 3.11Å; T120-T122 PolarHBondContact OG1-N 3.4Å; T120-Q123 PolarHBondContact N-O 2.74Å; T120-Q123 PolarHBondContact O-N 3.18Å; T120-Q123 VanDerWaalsContact O-N 3.17Å; T120-Q123 WeakPolarHBondContact OG1-CB 2.98Å; T120-Q123 PolarHBondContact OG1-N 2.94Å |
| 121 | R | 98.4 | Very high | 96.7 | Very high | 101 Ų | 101 | 58.2 Ų | 58.2 | 38% | 0.381 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -30.8 | 175.2 | -72.6 | 173.1 | -175.4 | 117.7 | -11.1 | 113.6 | G66 C85 E87 Y91 T92 | G66-R121 VanDerWaalsContact CA-O 3.26Å; G66-R121 WeakPolarHBondContact CA-O 3.31Å; C85-R121 HydrophobicContact CB-CG 4.22Å; C85-R121 PolarHBondContact O-NE 2.79Å; E87-R121 PolarHBondContact OE1-N 2.73Å; E87-R121 WeakPolarHBondContact OE2-CD 3.49Å; E87-R121 VanDerWaalsContact OE2-CG 3.26Å; E87-R121 WeakPolarHBondContact OE2-CG 3.49Å; E87-R121 IonicContact OE2-CZ 2.62Å; E87-R121 IonicContact OE2-NE 2.73Å; E87-R121 PolarHBondContact OE2-NE 2.72Å; E87-R121 IonicContact OE2-NH1 3.33Å; E87-R121 PolarHBondContact OE2-NH1 3.3Å; Y91-R121 CarbonylContact C-O 3.59Å; Y91-R121 WeakPolarHBondContact CA-O 3.04Å; Y91-R121 WeakPolarHBondContact CB-O 3.38Å; T92-R121 PolarHBondContact N-O 2.74Å |
| 122 | T | 98.3 | Very high | 96.6 | Very high | 75 Ų | 75 | 59.7 Ų | 59.7 | 46% | 0.46 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -2.8 | -176.3 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | P65 T92 D93 T120 | P65-T122 HydrophobicContact CB-CG2 4.07Å; T92-T122 WeakPolarHBondContact O-CA 3.05Å; D93-T122 WeakPolarHBondContact CA-O 3.37Å; T120-T122 PolarHBondContact O-N 3.11Å; T120-T122 PolarHBondContact OG1-N 3.4Å |
| 123 | Q | 97.8 | Very high | 96.7 | Very high | 71 Ų | 71 | 62.5 Ų | 62.5 | 33% | 0.332 | 32% | 0.316 | S | S | . | . | B | Isolated β-bridge | trans | -142.2 | 128 | -173.8 | -170 | -179.8 | 113.8 | 0 | 0 | 111.2 | C119 T120 | C119-Q123 WeakPolarHBondContact CA-O 3.42Å; C119-Q123 PolarHBondContact SG-O 2.86Å; T120-Q123 PolarHBondContact N-O 2.74Å; T120-Q123 PolarHBondContact O-N 3.18Å; T120-Q123 VanDerWaalsContact O-N 3.17Å; T120-Q123 WeakPolarHBondContact OG1-CB 2.98Å; T120-Q123 PolarHBondContact OG1-N 2.94Å |
| 124 | N | 97.9 | Very high | 96.7 | Very high | 39 Ų | 39 | 62.7 Ų | 62.7 | 21% | 0.209 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 153.4 | 170.7 | -156.7 | -3 | 0 | 0 | 0 | 111.2 | Y91 C104 R105 K126 | Y91-N124 HydrophobicContact CD1-CB 4.05Å; Y91-N124 HydrophobicContact CD2-CB 4.1Å; Y91-N124 HydrophobicContact CE1-CB 3.59Å; Y91-N124 WeakPolarHBondContact CE1-OD1 3.46Å; Y91-N124 HydrophobicContact CE2-CB 3.66Å; Y91-N124 HydrophobicContact CG-CB 4.29Å; Y91-N124 VanDerWaalsContact CZ-CG 3.46Å; Y91-N124 PolarHBondContact OH-ND2 2.85Å; C104-N124 WeakPolarHBondContact CA-OD1 3.46Å; R105-N124 PolarHBondContact N-OD1 3.48Å; N124-K126 PolarHBondContact O-N 3.42Å |
| 125 | T | 96.7 | Very high | 96.7 | Very high | 12 Ų | 12 | 61.1 Ų | 61.1 | 7% | 0.074 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -47.3 | 137.3 | 168.9 | -41.7 | 0 | 0 | 0 | 0 | 110.4 | R105 V115 I117 C119 | R105-T125 PolarHBondContact NE-O 2.82Å; R105-T125 PolarHBondContact NH2-O 3.13Å; R105-T125 VanDerWaalsContact O-CB 3.23Å; R105-T125 WeakPolarHBondContact O-CB 3.49Å; R105-T125 PolarHBondContact O-OG1 3.4Å; V115-T125 HydrophobicContact CG1-CG2 3.96Å; V115-T125 HydrophobicContact CG2-CG2 4.22Å; I117-T125 CarbonylContact O-C 3.6Å; I117-T125 WeakPolarHBondContact O-CA 3.12Å; I117-T125 WeakPolarHBondContact O-CG2 3.42Å; C119-T125 WeakPolarHBondContact CB-OG1 3Å |
| 126 | K | 95.3 | Very high | 96.5 | Very high | 91 Ų | 91 | 63.6 Ų | 63.6 | 40% | 0.396 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 124.9 | 165.4 | -59.8 | -161.8 | -166.8 | 172.4 | 0 | 110.1 | E116 I117 N124 | E116-K126 HydrophobicContact CB-CB 4.47Å; E116-K126 WeakPolarHBondContact CB-O 2.9Å; E116-K126 PolarHBondContact N-O 2.82Å; I117-K126 HydrophobicContact CB-CB 3.89Å; I117-K126 HydrophobicContact CB-CG 4.17Å; I117-K126 HydrophobicContact CD1-CB 4.4Å; I117-K126 HydrophobicContact CD1-CD 3.75Å; I117-K126 HydrophobicContact CD1-CG 4.26Å; I117-K126 HydrophobicContact CG1-CB 4.04Å; I117-K126 HydrophobicContact CG1-CD 4.32Å; I117-K126 HydrophobicContact CG1-CG 4.37Å; I117-K126 PolarHBondContact N-O 2.03Å; I117-K126 VanDerWaalsContact N-O 3.11Å; I117-K126 PolarHBondContact O-N 2.81Å; N124-K126 PolarHBondContact O-N 3.42Å |
| 127 | C | 95.6 | Very high | 96.3 | Very high | 20 Ų | 20 | 61.7 Ų | 61.7 | 14% | 0.135 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 145.4 | 175.3 | -52.5 | 0 | 0 | 0 | 0 | 109.6 | C107 L113 E114 | C107-C127 WeakPolarHBondContact CA-SG 3.16Å; C107-C127 HydrophobicContact CB-CB 3.77Å; C107-C127 WeakPolarHBondContact CB-SG 3.5Å; C107-C127 WeakPolarHBondContact SG-CA 3.49Å; C107-C127 WeakPolarHBondContact SG-CB 3.14Å; C107-C127 CovalentContact SG-SG 2.03Å; C107-C127 PolarHBondContact SG-SG 3.07Å; L113-C127 HydrophobicContact CD2-CB 4.22Å; E114-C127 VanDerWaalsContact O-CA 3.31Å; E114-C127 WeakPolarHBondContact O-CA 3.46Å |
| 128 | R | 94.8 | Very high | 95.7 | Very high | 102 Ų | 102 | 65.4 Ų | 65.4 | 39% | 0.385 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 164.9 | 169.1 | 67.4 | 179.2 | -174.1 | -165.8 | 2.6 | 110 | L113 E114 E116 | L113-R128 CarbonylContact C-O 3.56Å; L113-R128 WeakPolarHBondContact CA-O 3.02Å; E114-R128 HydrophobicContact CG-CG 3.74Å; E114-R128 PolarHBondContact N-O 2.92Å; E114-R128 PolarHBondContact O-N 2.84Å; E114-R128 IonicContact OE1-CZ 3.98Å; E114-R128 IonicContact OE1-NE 2.82Å; E114-R128 PolarHBondContact OE1-NE 3.42Å; E114-R128 IonicContact OE1-NH2 3.04Å; E114-R128 PolarHBondContact OE1-NH2 2.04Å; E116-R128 HydrophobicContact CB-CB 4.12Å; E116-R128 HydrophobicContact CB-CG 3.91Å; E116-R128 HydrophobicContact CG-CG 4.49Å |
| 129 | C | 96.6 | Very high | 95.2 | Very high | 7 Ų | 7 | 64.8 Ų | 64.8 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 144.6 | 171.1 | -60.7 | 0 | 0 | 0 | 0 | 110.7 | G112 F133 C143 L159 | G112-C129 WeakPolarHBondContact O-CA 3.38Å; C129-F133 HydrophobicContact CB-CB 4.13Å; C129-C143 WeakPolarHBondContact CA-SG 3.44Å; C129-C143 HydrophobicContact CB-CB 3.69Å; C129-C143 WeakPolarHBondContact CB-SG 3.14Å; C129-C143 WeakPolarHBondContact SG-CB 3.13Å; C129-C143 CovalentContact SG-SG 2.04Å; C129-C143 PolarHBondContact SG-SG 3.42Å; C129-L159 HydrophobicContact CB-CB 4.44Å; C129-L159 HydrophobicContact CB-CD2 4.17Å; C129-L159 WeakPolarHBondContact O-CD2 3.39Å; C129-L159 PolarHBondContact SG-O 3.35Å; C129-L159 VanDerWaalsContact SG-O 3.4Å |
| 130 | K | 96.4 | Very high | 94.8 | Very high | 42 Ų | 42 | 65.8 Ų | 65.8 | 18% | 0.183 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 160.5 | 170.3 | -79.7 | -179.4 | 170.4 | -176.3 | 0 | 111.1 | E109 G112 L113 E114 N132 F133 | E109-K130 VanDerWaalsContact CD-NZ 3.35Å; E109-K130 VanDerWaalsContact CG-NZ 3.34Å; E109-K130 PolarHBondContact O-NZ 3.11Å; E109-K130 IonicContact OE2-NZ 2.74Å; E109-K130 PolarHBondContact OE2-NZ 3.24Å; G112-K130 WeakPolarHBondContact O-CB 2.94Å; G112-K130 PolarHBondContact O-N 2.02Å; L113-K130 VanDerWaalsContact O-CE 3.28Å; L113-K130 WeakPolarHBondContact O-CE 3.4Å; E114-K130 HydrophobicContact CB-CG 3.88Å; E114-K130 HydrophobicContact CG-CG 4.06Å; K130-N132 PolarHBondContact O-N 2.8Å; K130-F133 HydrophobicContact CB-CD2 4Å; K130-F133 WeakPolarHBondContact O-CB 3.23Å; K130-F133 PolarHBondContact O-N 3.35Å |
| 131 | P | 95.3 | Very high | 94.5 | Very high | 83 Ų | 83 | 71 Ų | 71 | 54% | 0.539 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 135.8 | 170.5 | -25.2 | 34 | 0 | 0 | 0 | 111.7 | E114 F133 | E114-P131 WeakPolarHBondContact OE2-CD 3.4Å; P131-F133 VanDerWaalsContact C-N 3.29Å; P131-F133 WeakPolarHBondContact O-CD2 3.21Å |
| 132 | N | 94.4 | Very high | 94.3 | Very high | 127 Ų | 127 | 70.9 Ų | 70.9 | 68% | 0.679 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 19.1 | -174.9 | -45.1 | -68.5 | 0 | 0 | 0 | 115.4 | K130 C146 | K130-N132 PolarHBondContact O-N 2.8Å; N132-C146 PolarHBondContact O-N 3.36Å; N132-C146 PolarHBondContact O-SG 2.84Å |
| 133 | F | 97.1 | Very high | 94.2 | Very high | 62 Ų | 62 | 67.7 Ų | 67.7 | 27% | 0.272 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 155.2 | 169 | -71.2 | -107.1 | 0 | 0 | 0 | 110.6 | C129 K130 P131 C143 D144 P145 | C129-F133 HydrophobicContact CB-CB 4.13Å; K130-F133 HydrophobicContact CB-CD2 4Å; K130-F133 WeakPolarHBondContact O-CB 3.23Å; K130-F133 PolarHBondContact O-N 3.35Å; P131-F133 VanDerWaalsContact C-N 3.29Å; P131-F133 WeakPolarHBondContact O-CD2 3.21Å; F133-C143 HydrophobicContact CB-CB 3.79Å; F133-C143 HydrophobicContact CD1-CB 4.33Å; F133-C143 WeakPolarHBondContact CD1-O 3.1Å; F133-D144 CarbonylContact C-O 3.43Å; F133-D144 WeakPolarHBondContact CA-O 3.46Å; F133-D144 WeakPolarHBondContact CB-O 3.27Å; F133-D144 VanDerWaalsContact CD1-C 3.49Å; F133-P145 HydrophobicContact CD1-CB 4.3Å; F133-P145 HydrophobicContact CE1-CB 4.05Å; F133-P145 HydrophobicContact CZ-CB 4.35Å |
| 134 | F | 96.6 | Very high | 94.2 | Very high | 15 Ų | 15 | 67.9 Ų | 67.9 | 7% | 0.066 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 159.8 | 179.2 | 78 | -82.9 | 0 | 0 | 0 | 111.8 | C143 D144 T158 L159 N162 | F134-C143 CarbonylContact O-C 3.47Å; F134-C143 WeakPolarHBondContact O-CA 3.26Å; F134-D144 HydrophobicContact CD1-CB 4.3Å; F134-D144 VanDerWaalsContact CD1-O 3.3Å; F134-D144 WeakPolarHBondContact CD1-O 3.26Å; F134-D144 HydrophobicContact CE1-CB 3.72Å; F134-D144 HydrophobicContact CZ-CB 3.87Å; F134-D144 PolarHBondContact N-O 3.29Å; F134-D144 PolarHBondContact O-N 2.01Å; F134-T158 WeakPolarHBondContact CB-O 3.07Å; F134-L159 WeakPolarHBondContact CA-O 3.38Å; F134-N162 HydrophobicContact CD1-CB 3.89Å; F134-N162 HydrophobicContact CD2-CB 3.84Å; F134-N162 VanDerWaalsContact CD2-N 3.3Å; F134-N162 HydrophobicContact CE1-CB 3.59Å; F134-N162 WeakPolarHBondContact CE1-OD1 3.38Å; F134-N162 HydrophobicContact CE2-CB 3.57Å; F134-N162 HydrophobicContact CG-CB 4.02Å; F134-N162 HydrophobicContact CZ-CB 3.44Å; F134-N162 VanDerWaalsContact CZ-CB 3.44Å |
| 135 | C | 96.4 | Very high | 94.1 | Very high | 14 Ų | 14 | 70 Ų | 70 | 10% | 0.095 | 38% | 0.378 | C | S | . | . | trans | -147.9 | 129.2 | 167.8 | 165.3 | 0 | 0 | 0 | 0 | 110.2 | S137 C140 L159 T160 | C135-S137 VanDerWaalsContact C-N 3.34Å; C135-C140 HydrophobicContact CB-CB 3.68Å; C135-C140 WeakPolarHBondContact CB-SG 3.44Å; C135-C140 WeakPolarHBondContact SG-CB 3.49Å; C135-C140 CovalentContact SG-SG 2.02Å; C135-C140 PolarHBondContact SG-SG 3.32Å; C135-L159 PolarHBondContact N-O 2.9Å; C135-L159 VanDerWaalsContact N-O 3.11Å; C135-T160 CarbonylContact O-C 3.58Å; C135-T160 WeakPolarHBondContact O-CA 3.46Å | ||
| 136 | N | 93.3 | Very high | 94.1 | Very high | 119 Ų | 119 | 70.6 Ų | 70.6 | 64% | 0.636 | 38% | 0.382 | S | S | * | . | trans | -82.7 | -11.3 | -175.4 | -61.8 | -30.8 | 0 | 0 | 0 | 113.8 | T160 | N136-T160 PolarHBondContact OD1-O 3.09Š| ||
| 137 | S | 90.7 | Very high | 94.1 | Very high | 67 Ų | 67 | 69.5 Ų | 69.5 | 47% | 0.469 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -83.7 | 158 | -178.1 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | C135 V139 C140 | C135-S137 VanDerWaalsContact C-N 3.34Å; S137-V139 VanDerWaalsContact C-N 3.29Å; S137-V139 VanDerWaalsContact CB-O 3.27Å; S137-V139 WeakPolarHBondContact CB-O 3.49Å; S137-V139 PolarHBondContact OG-N 3.25Å; S137-V139 PolarHBondContact OG-O 3.13Å; S137-C140 PolarHBondContact O-SG 3.05Å; S137-C140 VanDerWaalsContact O-SG 3.35Å |
| 138 | T | 85.1 | Confident | 94.1 | Very high | 146 Ų | 146 | 78.1 Ų | 78.1 | 90% | 0.896 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -71.1 | -28.7 | 169.9 | 53.7 | 0 | 0 | 0 | 0 | 112.1 | ||
| 139 | V | 86.4 | Confident | 94 | Very high | 107 Ų | 107 | 74.7 Ų | 74.7 | 65% | 0.648 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -122.8 | 118.5 | 175.2 | -176.7 | 0 | 0 | 0 | 0 | 108 | S137 | S137-V139 VanDerWaalsContact C-N 3.29Å; S137-V139 VanDerWaalsContact CB-O 3.27Å; S137-V139 WeakPolarHBondContact CB-O 3.49Å; S137-V139 PolarHBondContact OG-N 3.25Å; S137-V139 PolarHBondContact OG-O 3.13Å |
| 140 | C | 89.8 | Confident | 93.8 | Very high | 32 Ų | 32 | 82.8 Ų | 82.8 | 22% | 0.216 | 45% | 0.447 | C | S | . | . | trans | -112.6 | 116.4 | -175.6 | -57 | 0 | 0 | 0 | 0 | 109.6 | C135 S137 | C135-C140 HydrophobicContact CB-CB 3.68Å; C135-C140 WeakPolarHBondContact CB-SG 3.44Å; C135-C140 WeakPolarHBondContact SG-CB 3.49Å; C135-C140 CovalentContact SG-SG 2.02Å; C135-C140 PolarHBondContact SG-SG 3.32Å; S137-C140 PolarHBondContact O-SG 3.05Å; S137-C140 VanDerWaalsContact O-SG 3.35Å | ||
| 141 | E | 91.1 | Very high | 93.5 | Very high | 159 Ų | 159 | 85.1 Ų | 85.1 | 74% | 0.743 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -80.9 | -29.6 | 170.8 | -64.2 | -178.1 | 168.9 | 0 | 0 | 111.5 | L113 | L113-E141 WeakPolarHBondContact CD1-O 3.49Š|
| 142 | H | 94.7 | Very high | 93.3 | Very high | 99 Ų | 99 | 82.9 Ų | 82.9 | 46% | 0.458 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -144.9 | 162.7 | 172.9 | 60.7 | -79.3 | 0 | 0 | 0 | 109.9 | H111 D144 | H111-H142 HydrophobicContact CB-CB 3.88Å; H111-H142 WeakPolarHBondContact O-CA 3.37Å; H142-D144 IonicContact CD2-OD1 3.17Å |
| 143 | C | 96.8 | Very high | 93.3 | Very high | 7 Ų | 7 | 80.7 Ų | 80.7 | 5% | 0.047 | 44% | 0.437 | C | S | . | . | trans | -118.2 | 143.4 | 171.6 | -58 | 0 | 0 | 0 | 0 | 110 | H111 L113 C129 F133 F134 | H111-C143 PolarHBondContact O-N 2.84Å; L113-C143 VanDerWaalsContact CD2-SG 3.52Å; C129-C143 WeakPolarHBondContact CA-SG 3.44Å; C129-C143 HydrophobicContact CB-CB 3.69Å; C129-C143 WeakPolarHBondContact CB-SG 3.14Å; C129-C143 WeakPolarHBondContact SG-CB 3.13Å; C129-C143 CovalentContact SG-SG 2.04Å; C129-C143 PolarHBondContact SG-SG 3.42Å; F133-C143 HydrophobicContact CB-CB 3.79Å; F133-C143 HydrophobicContact CD1-CB 4.33Å; F133-C143 WeakPolarHBondContact CD1-O 3.1Å; F134-C143 CarbonylContact O-C 3.47Å; F134-C143 WeakPolarHBondContact O-CA 3.26Å | ||
| 144 | D | 96.5 | Very high | 93.1 | Very high | 76 Ų | 76 | 83.3 Ų | 83.3 | 41% | 0.406 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 145.8 | 178.6 | -68 | -45.9 | 0 | 0 | 0 | 110.7 | F133 F134 H142 | F133-D144 CarbonylContact C-O 3.43Å; F133-D144 WeakPolarHBondContact CA-O 3.46Å; F133-D144 WeakPolarHBondContact CB-O 3.27Å; F133-D144 VanDerWaalsContact CD1-C 3.49Å; F134-D144 HydrophobicContact CD1-CB 4.3Å; F134-D144 VanDerWaalsContact CD1-O 3.3Å; F134-D144 WeakPolarHBondContact CD1-O 3.26Å; F134-D144 HydrophobicContact CE1-CB 3.72Å; F134-D144 HydrophobicContact CZ-CB 3.87Å; F134-D144 PolarHBondContact N-O 3.29Å; F134-D144 PolarHBondContact O-N 2.01Å; H142-D144 IonicContact CD2-OD1 3.17Å |
| 145 | P | 96.6 | Very high | 93 | Very high | 84 Ų | 84 | 87.2 Ų | 87.2 | 55% | 0.545 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 139.7 | 174.8 | 27.1 | -33.3 | 0 | 0 | 0 | 111 | F133 | F133-P145 HydrophobicContact CD1-CB 4.3Å; F133-P145 HydrophobicContact CE1-CB 4.05Å; F133-P145 HydrophobicContact CZ-CB 4.35Å |
| 146 | C | 96.8 | Very high | 93 | Very high | 24 Ų | 24 | 92.6 Ų | 92.6 | 16% | 0.162 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 137.6 | 177 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | N132 C157 | N132-C146 PolarHBondContact O-N 3.36Å; N132-C146 PolarHBondContact O-SG 2.84Å; C146-C157 HydrophobicContact CB-CB 3.64Å; C146-C157 WeakPolarHBondContact CB-SG 3.34Å; C146-C157 WeakPolarHBondContact SG-CB 3.49Å; C146-C157 CovalentContact SG-SG 2.02Å; C146-C157 PolarHBondContact SG-SG 2.86Å |
| 147 | T | 95.5 | Very high | 93.1 | Very high | 67 Ų | 67 | 88.5 Ų | 88.5 | 41% | 0.411 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 135 | 174.5 | -57.6 | 0 | 0 | 0 | 0 | 110.8 | N162 T163 | T147-N162 PolarHBondContact N-OD1 2.72Å; T147-N162 PolarHBondContact OG1-ND2 2.82Å; T147-N162 PolarHBondContact OG1-OD1 2.71Å; T147-T163 VanDerWaalsContact O-CB 3.24Å; T147-T163 WeakPolarHBondContact O-CB 3.46Å; T147-T163 PolarHBondContact O-OG1 3.2Å |
| 148 | K | 94.7 | Very high | 93.3 | Very high | 201 Ų | 201 | 88.2 Ų | 88.2 | 87% | 0.874 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -92.8 | 131 | 171.7 | -63.4 | -179.6 | -177.9 | 177.8 | 0 | 109.1 | ||
| 149 | C | 93.3 | Very high | 93.8 | Very high | 31 Ų | 31 | 85 Ų | 85 | 21% | 0.209 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -99.9 | 134.1 | -177.6 | -54.5 | 0 | 0 | 0 | 0 | 111.1 | G152 I153 T163 C165 | C149-G152 WeakPolarHBondContact CB-O 3.46Å; C149-I153 HydrophobicContact CB-CG1 4.07Å; C149-T163 VanDerWaalsContact SG-CG2 3.51Å; C149-C165 WeakPolarHBondContact CA-SG 3.36Å; C149-C165 HydrophobicContact CB-CB 3.66Å; C149-C165 WeakPolarHBondContact CB-SG 3.47Å; C149-C165 WeakPolarHBondContact SG-CA 3.2Å; C149-C165 WeakPolarHBondContact SG-CB 3.47Å; C149-C165 CovalentContact SG-SG 2.04Å; C149-C165 PolarHBondContact SG-SG 2.83Å |
| 150 | E | 91.6 | Very high | 94.1 | Very high | 177 Ų | 177 | 84.6 Ų | 84.6 | 83% | 0.827 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -81.2 | -38.8 | 175.3 | -65 | -179.7 | 165.7 | 0 | 0 | 112.1 | ||
| 151 | H | 91.3 | Very high | 94.4 | Very high | 90 Ų | 90 | 84.2 Ų | 84.2 | 42% | 0.417 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -98.8 | 19.6 | -172 | -60.9 | 96.9 | 0 | 0 | 0 | 114.4 | E168 | H151-E168 VanDerWaalsContact CE1-CG 3.41Å; H151-E168 WeakPolarHBondContact CE1-CG 3.25Å; H151-E168 IonicContact CE1-OE1 3.84Å; H151-E168 PolarHBondContact CE1-OE1 3.4Å; H151-E168 WeakPolarHBondContact ND1-CG 3.49Å; H151-E168 IonicContact ND1-OE1 2.74Å; H151-E168 IonicContact NE2-OE1 2.76Å; H151-E168 PolarHBondContact NE2-OE1 3.04Å |
| 152 | G | 90.5 | Very high | 94.6 | Very high | 36 Ų | 36 | 78.5 Ų | 78.5 | 37% | 0.371 | 42% | 0.417 | S | S | . | . | trans | 92.9 | 165.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | C149 K166 | C149-G152 WeakPolarHBondContact CB-O 3.46Å; G152-K166 PolarHBondContact O-N 2.62Å | ||
| 153 | I | 93.9 | Very high | 94.7 | Very high | 81 Ų | 81 | 74.4 Ų | 74.4 | 42% | 0.415 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 128.9 | -171.8 | -60.6 | 172.3 | 0 | 0 | 0 | 109.2 | C149 K155 E156 T163 | C149-I153 HydrophobicContact CB-CG1 4.07Å; I153-K155 VanDerWaalsContact CG2-O 3.31Å; I153-K155 WeakPolarHBondContact CG2-O 3.06Å; I153-E156 HydrophobicContact CG2-CG 4.43Å; I153-T163 HydrophobicContact CD1-CG2 4.41Å; I153-T163 HydrophobicContact CG1-CG2 4.13Å; I153-T163 HydrophobicContact CG2-CG2 3.76Å |
| 154 | I | 94.3 | Very high | 94.6 | Very high | 117 Ų | 117 | 80.1 Ų | 80.1 | 60% | 0.6 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -42.9 | 170.5 | -62.8 | 177.1 | 0 | 0 | 0 | 109.9 | K164 C165 K166 | I154-K164 HydrophobicContact CB-CB 4.4Å; I154-K164 WeakPolarHBondContact CB-O 3.35Å; I154-K164 PolarHBondContact N-O 3.33Å; I154-C165 WeakPolarHBondContact CD1-O 3.02Å; I154-K166 HydrophobicContact CD1-CB 4.34Å; I154-K166 HydrophobicContact CG1-CB 4.1Å |
| 155 | K | 94.7 | Very high | 94.5 | Very high | 97 Ų | 97 | 78.7 Ų | 78.7 | 42% | 0.422 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 127 | 178.1 | -169.1 | -171.7 | 176.5 | -164.8 | 0 | 109.1 | I153 T163 K164 | I153-K155 VanDerWaalsContact CG2-O 3.31Å; I153-K155 WeakPolarHBondContact CG2-O 3.06Å; K155-T163 WeakPolarHBondContact O-CA 3.46Å; K155-T163 WeakPolarHBondContact O-CG2 3.26Å; K155-K164 HydrophobicContact CB-CB 3.93Å; K155-K164 HydrophobicContact CB-CD 4.44Å; K155-K164 HydrophobicContact CB-CG 4.21Å; K155-K164 PolarHBondContact N-O 2.86Å; K155-K164 PolarHBondContact O-N 3.42Å |
| 156 | E | 95.3 | Very high | 94.3 | Very high | 127 Ų | 127 | 81 Ų | 81 | 59% | 0.593 | 42% | 0.42 | S | S | * | . | trans | -62.9 | 153.4 | 176.7 | -66 | -62.7 | 161.2 | 0 | 0 | 112.1 | I153 | I153-E156 HydrophobicContact CG2-CG 4.43Š| ||
| 157 | C | 95.9 | Very high | 93.8 | Very high | 34 Ų | 34 | 88.1 Ų | 88.1 | 23% | 0.23 | 45% | 0.451 | C | S | . | . | trans | -68.5 | 141.3 | 172.9 | -158.9 | 0 | 0 | 0 | 0 | 111 | C146 S161 T163 | C146-C157 HydrophobicContact CB-CB 3.64Å; C146-C157 WeakPolarHBondContact CB-SG 3.34Å; C146-C157 WeakPolarHBondContact SG-CB 3.49Å; C146-C157 CovalentContact SG-SG 2.02Å; C146-C157 PolarHBondContact SG-SG 2.86Å; C157-S161 PolarHBondContact SG-O 3.39Å; C157-T163 WeakPolarHBondContact CB-OG1 3.09Å | ||
| 158 | T | 95.4 | Very high | 92.9 | Very high | 61 Ų | 61 | 91.2 Ų | 91.2 | 37% | 0.374 | 46% | 0.461 | S | S | . | . | B | Isolated β-bridge | trans | -126.1 | 167 | 169.7 | 70.2 | 0 | 0 | 0 | 0 | 109.5 | F134 T160 S161 | F134-T158 WeakPolarHBondContact CB-O 3.07Å; T158-T160 PolarHBondContact O-N 3.28Å; T158-T160 PolarHBondContact OG1-N 3.33Å; T158-T160 PolarHBondContact OG1-OG1 3.14Å; T158-S161 PolarHBondContact N-O 3.07Å; T158-S161 PolarHBondContact O-N 3.25Å; T158-S161 VanDerWaalsContact O-O 3.05Å; T158-S161 WeakPolarHBondContact OG1-CB 3.49Å; T158-S161 PolarHBondContact OG1-N 3.06Å; T158-S161 VanDerWaalsContact OG1-N 3.13Å |
| 159 | L | 94.3 | Very high | 91.5 | Very high | 77 Ų | 77 | 85 Ų | 85 | 40% | 0.403 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -18.3 | 175.7 | -57.3 | -179.3 | 0 | 0 | 0 | 113.2 | C129 F134 C135 | C129-L159 HydrophobicContact CB-CB 4.44Å; C129-L159 HydrophobicContact CB-CD2 4.17Å; C129-L159 WeakPolarHBondContact O-CD2 3.39Å; C129-L159 PolarHBondContact SG-O 3.35Å; C129-L159 VanDerWaalsContact SG-O 3.4Å; F134-L159 WeakPolarHBondContact CA-O 3.38Å; C135-L159 PolarHBondContact N-O 2.9Å; C135-L159 VanDerWaalsContact N-O 3.11Å |
| 160 | T | 94.1 | Very high | 90 | Very high | 99 Ų | 99 | 88.2 Ų | 88.2 | 61% | 0.607 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.6 | 1.9 | -176.4 | 57.2 | 0 | 0 | 0 | 0 | 114.6 | C135 N136 T158 | C135-T160 CarbonylContact O-C 3.58Å; C135-T160 WeakPolarHBondContact O-CA 3.46Å; N136-T160 PolarHBondContact OD1-O 3.09Å; T158-T160 PolarHBondContact O-N 3.28Å; T158-T160 PolarHBondContact OG1-N 3.33Å; T158-T160 PolarHBondContact OG1-OG1 3.14Å |
| 161 | S | 94.7 | Very high | 88.6 | Confident | 25 Ų | 25 | 90.8 Ų | 90.8 | 18% | 0.175 | 48% | 0.478 | C | S | . | . | B | Isolated β-bridge | trans | -156.9 | 131.8 | -174.3 | -167.6 | 0 | 0 | 0 | 0 | 111.2 | C157 T158 | C157-S161 PolarHBondContact SG-O 3.39Å; T158-S161 PolarHBondContact N-O 3.07Å; T158-S161 PolarHBondContact O-N 3.25Å; T158-S161 VanDerWaalsContact O-O 3.05Å; T158-S161 WeakPolarHBondContact OG1-CB 3.49Å; T158-S161 PolarHBondContact OG1-N 3.06Å; T158-S161 VanDerWaalsContact OG1-N 3.13Å |
| 162 | N | 96.2 | Very high | 87.2 | Confident | 38 Ų | 38 | 90.8 Ų | 90.8 | 20% | 0.203 | 49% | 0.489 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 158.3 | 176 | -159.7 | 7 | 0 | 0 | 0 | 112.7 | F134 T147 | F134-N162 HydrophobicContact CD1-CB 3.89Å; F134-N162 HydrophobicContact CD2-CB 3.84Å; F134-N162 VanDerWaalsContact CD2-N 3.3Å; F134-N162 HydrophobicContact CE1-CB 3.59Å; F134-N162 WeakPolarHBondContact CE1-OD1 3.38Å; F134-N162 HydrophobicContact CE2-CB 3.57Å; F134-N162 HydrophobicContact CG-CB 4.02Å; F134-N162 HydrophobicContact CZ-CB 3.44Å; F134-N162 VanDerWaalsContact CZ-CB 3.44Å; T147-N162 PolarHBondContact N-OD1 2.72Å; T147-N162 PolarHBondContact OG1-ND2 2.82Å; T147-N162 PolarHBondContact OG1-OD1 2.71Å |
| 163 | T | 95.9 | Very high | 85.9 | Confident | 14 Ų | 14 | 95.7 Ų | 95.7 | 9% | 0.086 | 51% | 0.506 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 135.9 | 164.6 | -40.1 | 0 | 0 | 0 | 0 | 110.6 | T147 C149 I153 K155 C157 | T147-T163 VanDerWaalsContact O-CB 3.24Å; T147-T163 WeakPolarHBondContact O-CB 3.46Å; T147-T163 PolarHBondContact O-OG1 3.2Å; C149-T163 VanDerWaalsContact SG-CG2 3.51Å; I153-T163 HydrophobicContact CD1-CG2 4.41Å; I153-T163 HydrophobicContact CG1-CG2 4.13Å; I153-T163 HydrophobicContact CG2-CG2 3.76Å; K155-T163 WeakPolarHBondContact O-CA 3.46Å; K155-T163 WeakPolarHBondContact O-CG2 3.26Å; C157-T163 WeakPolarHBondContact CB-OG1 3.09Å |
| 164 | K | 94.8 | Very high | 84.4 | Confident | 127 Ų | 127 | 97.4 Ų | 97.4 | 55% | 0.552 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 118.9 | 166.3 | -65 | -169.4 | 174.8 | -171.8 | 0 | 109.8 | I154 K155 | I154-K164 HydrophobicContact CB-CB 4.4Å; I154-K164 WeakPolarHBondContact CB-O 3.35Å; I154-K164 PolarHBondContact N-O 3.33Å; K155-K164 HydrophobicContact CB-CB 3.93Å; K155-K164 HydrophobicContact CB-CD 4.44Å; K155-K164 HydrophobicContact CB-CG 4.21Å; K155-K164 PolarHBondContact N-O 2.86Å; K155-K164 PolarHBondContact O-N 3.42Å |
| 165 | C | 94.8 | Very high | 83.1 | Confident | 46 Ų | 46 | 94.2 Ų | 94.2 | 31% | 0.311 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 150.8 | -179.8 | -58.1 | 0 | 0 | 0 | 0 | 112.2 | C149 I154 E167 | C149-C165 WeakPolarHBondContact CA-SG 3.36Å; C149-C165 HydrophobicContact CB-CB 3.66Å; C149-C165 WeakPolarHBondContact CB-SG 3.47Å; C149-C165 WeakPolarHBondContact SG-CA 3.2Å; C149-C165 WeakPolarHBondContact SG-CB 3.47Å; C149-C165 CovalentContact SG-SG 2.04Å; C149-C165 PolarHBondContact SG-SG 2.83Å; I154-C165 WeakPolarHBondContact CD1-O 3.02Å; C165-E167 PolarHBondContact O-N 2.78Å |
| 166 | K | 92.7 | Very high | 82 | Confident | 132 Ų | 132 | 98 Ų | 98 | 57% | 0.574 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 129 | 168 | -168.3 | 178.1 | 179.7 | -179.4 | 0 | 109.4 | G152 I154 | G152-K166 PolarHBondContact O-N 2.62Å; I154-K166 HydrophobicContact CD1-CB 4.34Å; I154-K166 HydrophobicContact CG1-CB 4.1Å |
| 167 | E | 86.1 | Confident | 81.1 | Confident | 173 Ų | 173 | 95.7 Ų | 95.7 | 81% | 0.808 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 140.4 | 173.3 | -66.7 | -176.2 | 174.5 | 0 | 0 | 109.8 | C165 G169 | C165-E167 PolarHBondContact O-N 2.78Å; E167-G169 PolarHBondContact O-N 2.85Å |
| 168 | E | 76.1 | Confident | 80 | Confident | 133 Ų | 133 | 97.7 Ų | 97.7 | 62% | 0.621 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 122.2 | 165.3 | -80.8 | -158.7 | 177.7 | 0 | 0 | 108.2 | H151 S170 | H151-E168 VanDerWaalsContact CE1-CG 3.41Å; H151-E168 WeakPolarHBondContact CE1-CG 3.25Å; H151-E168 IonicContact CE1-OE1 3.84Å; H151-E168 PolarHBondContact CE1-OE1 3.4Å; H151-E168 WeakPolarHBondContact ND1-CG 3.49Å; H151-E168 IonicContact ND1-OE1 2.74Å; H151-E168 IonicContact NE2-OE1 2.76Å; H151-E168 PolarHBondContact NE2-OE1 3.04Å; E168-S170 PolarHBondContact O-N 3.19Å |
| 169 | G | 66.1 | Low | 79.2 | Confident | 69 Ų | 69 | 101 Ų | 101 | 71% | 0.711 | 54% | 0.543 | S | S | * | . | trans | -61.4 | 103.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | E167 R171 | E167-G169 PolarHBondContact O-N 2.85Å; G169-R171 PolarHBondContact O-N 3.17Å | ||
| 170 | S | 60.8 | Low | 78.5 | Confident | 100 Ų | 100 | 103.1 Ų | 103.1 | 70% | 0.699 | 55% | 0.554 | S | S | * | * | trans | -51 | 104.9 | 171.8 | 174.1 | 0 | 0 | 0 | 0 | 107.2 | E168 S172 | E168-S170 PolarHBondContact O-N 3.19Å; S170-S172 PolarHBondContact O-N 3.17Å | ||
| 171 | R | 62.2 | Low | 77.9 | Confident | 230 Ų | 230 | 103.3 Ų | 103.3 | 87% | 0.868 | 55% | 0.551 | S | S | * | * | trans | -64.7 | 86.2 | 165.9 | -86.5 | 173.1 | 62 | 177.1 | -1.5 | 104.9 | G169 N173 | G169-R171 PolarHBondContact O-N 3.17Å; R171-N173 PolarHBondContact O-N 3.18Å | ||
| 172 | S | 62.5 | Low | 77.4 | Confident | 91 Ų | 91 | 107.9 Ų | 107.9 | 64% | 0.636 | 57% | 0.573 | S | S | * | * | trans | -47.8 | 113.6 | 169.6 | -73.7 | 0 | 0 | 0 | 0 | 106.2 | S170 L174 | S170-S172 PolarHBondContact O-N 3.17Å; S172-L174 PolarHBondContact O-N 3.08Å | ||
| 173 | N | 63.5 | Low | 76.9 | Confident | 138 Ų | 138 | 108.7 Ų | 108.7 | 74% | 0.738 | 58% | 0.58 | S | S | * | * | trans | -70.4 | 47.1 | 177.4 | -98.4 | -68.7 | 0 | 0 | 0 | 110.2 | R171 G175 W176 | R171-N173 PolarHBondContact O-N 3.18Å; N173-G175 PolarHBondContact O-N 2.03Å; N173-G175 VanDerWaalsContact O-N 3.13Å; N173-W176 PolarHBondContact O-N 2.89Å | ||
| 174 | L | 62.2 | Low | 76.5 | Confident | 118 Ų | 118 | 112.1 Ų | 112.1 | 62% | 0.618 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -2.7 | 174.8 | -141 | 78 | 0 | 0 | 0 | 111.8 | S172 W176 L177 | S172-L174 PolarHBondContact O-N 3.08Å; L174-W176 VanDerWaalsContact C-N 3.31Å; L174-L177 HydrophobicContact CD1-CD1 3.66Å; L174-L177 HydrophobicContact CG-CD1 4.17Å; L174-L177 PolarHBondContact O-N 2.87Å |
| 175 | G | 65.9 | Low | 76.2 | Confident | 50 Ų | 50 | 110.1 Ų | 110.1 | 52% | 0.515 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.5 | -30.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N173 L177 C178 | N173-G175 PolarHBondContact O-N 2.03Å; N173-G175 VanDerWaalsContact O-N 3.13Å; G175-L177 VanDerWaalsContact C-N 3.29Å; G175-L177 PolarHBondContact O-N 3.47Å; G175-C178 PolarHBondContact O-N 2.88Å |
| 176 | W | 73.4 | Confident | 75.9 | Confident | 175 Ų | 175 | 113.3 Ų | 113.3 | 66% | 0.663 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.5 | -24.4 | 179.4 | 88.4 | -34.4 | 0 | 0 | 0 | 113 | N173 L174 C178 L179 | N173-W176 PolarHBondContact O-N 2.89Å; L174-W176 VanDerWaalsContact C-N 3.31Å; W176-C178 VanDerWaalsContact C-N 3.31Å; W176-L179 PolarHBondContact O-N 3.22Å |
| 177 | L | 74.7 | Confident | 75.7 | Confident | 79 Ų | 79 | 111.9 Ų | 111.9 | 41% | 0.414 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70.2 | -33.8 | 178.9 | -99.3 | 116.6 | 0 | 0 | 0 | 110.1 | L174 G175 L180 L181 | L174-L177 HydrophobicContact CD1-CD1 3.66Å; L174-L177 HydrophobicContact CG-CD1 4.17Å; L174-L177 PolarHBondContact O-N 2.87Å; G175-L177 VanDerWaalsContact C-N 3.29Å; G175-L177 PolarHBondContact O-N 3.47Å; L177-L180 PolarHBondContact O-N 2.83Å; L177-L181 WeakPolarHBondContact O-CG 3.05Å; L177-L181 PolarHBondContact O-N 3.36Å |
| 178 | C | 73.9 | Confident | 75.9 | Confident | 76 Ų | 76 | 106.9 Ų | 106.9 | 51% | 0.514 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.8 | -37.5 | 175.7 | -62.6 | 0 | 0 | 0 | 0 | 112.2 | G175 W176 L180 L181 L182 | G175-C178 PolarHBondContact O-N 2.88Å; W176-C178 VanDerWaalsContact C-N 3.31Å; C178-L180 VanDerWaalsContact C-N 3.27Å; C178-L180 PolarHBondContact O-N 3.02Å; C178-L181 PolarHBondContact O-N 3.48Å; C178-L182 VanDerWaalsContact O-CG 3.25Å; C178-L182 WeakPolarHBondContact O-CG 3.25Å; C178-L182 PolarHBondContact O-N 3.21Å |
| 179 | L | 78.5 | Confident | 76.7 | Confident | 130 Ų | 130 | 107.3 Ų | 107.3 | 68% | 0.681 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.3 | -32.2 | 177.6 | -91.2 | 139.8 | 0 | 0 | 0 | 113.1 | W176 P183 | W176-L179 PolarHBondContact O-N 3.22Å; L179-P183 WeakPolarHBondContact O-CD 3.09Å |
| 180 | L | 78.8 | Confident | 77.9 | Confident | 122 Ų | 122 | 107.5 Ų | 107.5 | 64% | 0.639 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -80.4 | -26.7 | 176.6 | -66.9 | 174 | 0 | 0 | 0 | 113.2 | L177 C178 P183 | L177-L180 PolarHBondContact O-N 2.83Å; C178-L180 VanDerWaalsContact C-N 3.27Å; C178-L180 PolarHBondContact O-N 3.02Å; L180-P183 WeakPolarHBondContact O-CD 3.03Å |
| 181 | L | 81.9 | Confident | 79.4 | Confident | 104 Ų | 104 | 109.6 Ų | 109.6 | 55% | 0.545 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -87.4 | -30.1 | -177.8 | -66.8 | 175.4 | 0 | 0 | 0 | 113.7 | L177 C178 I184 P185 | L177-L181 WeakPolarHBondContact O-CG 3.05Å; L177-L181 PolarHBondContact O-N 3.36Å; C178-L181 PolarHBondContact O-N 3.48Å; L181-I184 HydrophobicContact CD2-CD1 3.76Å; L181-I184 PolarHBondContact O-N 3.15Å; L181-P185 VanDerWaalsContact O-CD 3.25Å; L181-P185 WeakPolarHBondContact O-CD 3.49Å |
| 182 | L | 84.2 | Confident | 80.6 | Confident | 121 Ų | 121 | 107.3 Ų | 107.3 | 63% | 0.634 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -38.5 | 178 | -74.4 | 169.4 | 0 | 0 | 0 | 116 | C178 P185 | C178-L182 VanDerWaalsContact O-CG 3.25Å; C178-L182 WeakPolarHBondContact O-CG 3.25Å; C178-L182 PolarHBondContact O-N 3.21Å; L182-P185 WeakPolarHBondContact O-CD 3.25Å; L182-P185 WeakPolarHBondContact O-CG 3.49Å |
| 183 | P | 86.5 | Confident | 81.8 | Confident | 55 Ų | 55 | 107.4 Ų | 107.4 | 36% | 0.357 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -76.4 | -20.3 | -179.9 | 27.7 | -34.7 | 0 | 0 | 0 | 113.9 | L179 L180 L186 I187 | L179-P183 WeakPolarHBondContact O-CD 3.09Å; L180-P183 WeakPolarHBondContact O-CD 3.03Å; P183-L186 PolarHBondContact O-N 3.26Å; P183-I187 HydrophobicContact CB-CD1 4.31Å; P183-I187 VanDerWaalsContact O-CG1 3.27Å; P183-I187 WeakPolarHBondContact O-CG1 3.5Å; P183-I187 PolarHBondContact O-N 3.21Å |
| 184 | I | 87.1 | Confident | 82.8 | Confident | 86 Ų | 86 | 105.1 Ų | 105.1 | 44% | 0.441 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -57.9 | -50 | -177.2 | -56.2 | 178.7 | 0 | 0 | 0 | 112.9 | L181 L186 I187 V188 | L181-I184 HydrophobicContact CD2-CD1 3.76Å; L181-I184 PolarHBondContact O-N 3.15Å; I184-L186 VanDerWaalsContact C-N 3.33Å; I184-L186 PolarHBondContact O-N 2.89Å; I184-I187 PolarHBondContact O-N 2.82Å; I184-V188 HydrophobicContact CG2-CG2 4.4Å; I184-V188 WeakPolarHBondContact O-CG2 3.43Å; I184-V188 PolarHBondContact O-N 3.15Å |
| 185 | P | 87.6 | Confident | 83.9 | Confident | 85 Ų | 85 | 104 Ų | 104 | 55% | 0.552 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.8 | -34.5 | 179.1 | 21.1 | -32.1 | 0 | 0 | 0 | 113.3 | L181 L182 W189 | L181-P185 VanDerWaalsContact O-CD 3.25Å; L181-P185 WeakPolarHBondContact O-CD 3.49Å; L182-P185 WeakPolarHBondContact O-CD 3.25Å; L182-P185 WeakPolarHBondContact O-CG 3.49Å; P185-W189 VanDerWaalsContact O-CB 3.27Å; P185-W189 WeakPolarHBondContact O-CB 3.04Å; P185-W189 PolarHBondContact O-N 3.21Å |
| 186 | L | 89.3 | Confident | 84.6 | Confident | 112 Ų | 112 | 106 Ų | 106 | 59% | 0.586 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.3 | -44.8 | 174.4 | -92.3 | 154.6 | 0 | 0 | 0 | 111.4 | P183 I184 W189 V190 | P183-L186 PolarHBondContact O-N 3.26Å; I184-L186 VanDerWaalsContact C-N 3.33Å; I184-L186 PolarHBondContact O-N 2.89Å; L186-W189 PolarHBondContact O-N 3.1Å; L186-V190 WeakPolarHBondContact O-CG2 3.35Å; L186-V190 PolarHBondContact O-N 2.75Å |
| 187 | I | 88.6 | Confident | 84.9 | Confident | 102 Ų | 102 | 103.3 Ų | 103.3 | 52% | 0.523 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 177.1 | -66 | 164.1 | 0 | 0 | 0 | 110.5 | P183 I184 W189 V190 K191 | P183-I187 HydrophobicContact CB-CD1 4.31Å; P183-I187 VanDerWaalsContact O-CG1 3.27Å; P183-I187 WeakPolarHBondContact O-CG1 3.5Å; P183-I187 PolarHBondContact O-N 3.21Å; I184-I187 PolarHBondContact O-N 2.82Å; I187-W189 VanDerWaalsContact C-N 3.33Å; I187-W189 PolarHBondContact O-N 3.48Å; I187-V190 PolarHBondContact O-N 2.88Å; I187-K191 WeakPolarHBondContact O-CB 3.21Å; I187-K191 VanDerWaalsContact O-CG 3.31Å; I187-K191 WeakPolarHBondContact O-CG 3.28Å; I187-K191 PolarHBondContact O-N 3.13Å |
| 188 | V | 90.6 | Very high | 84.9 | Confident | 68 Ų | 68 | 103.1 Ų | 103.1 | 41% | 0.412 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 176.1 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | I184 K191 R192 | I184-V188 HydrophobicContact CG2-CG2 4.4Å; I184-V188 WeakPolarHBondContact O-CG2 3.43Å; I184-V188 PolarHBondContact O-N 3.15Å; V188-K191 PolarHBondContact O-N 3.49Å; V188-R192 HydrophobicContact CG1-CG 4.5Å; V188-R192 WeakPolarHBondContact O-CB 3.42Å; V188-R192 WeakPolarHBondContact O-CG 3.4Å; V188-R192 PolarHBondContact O-N 3.14Å |
| 189 | W | 92 | Very high | 84.7 | Confident | 143 Ų | 143 | 102.7 Ų | 102.7 | 54% | 0.542 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 178.5 | -177.6 | 80.8 | 0 | 0 | 0 | 112.8 | P185 L186 I187 R192 K193 | P185-W189 VanDerWaalsContact O-CB 3.27Å; P185-W189 WeakPolarHBondContact O-CB 3.04Å; P185-W189 PolarHBondContact O-N 3.21Å; L186-W189 PolarHBondContact O-N 3.1Å; I187-W189 VanDerWaalsContact C-N 3.33Å; I187-W189 PolarHBondContact O-N 3.48Å; W189-R192 PolarHBondContact O-N 3.21Å; W189-K193 HydrophobicContact CH2-CD 4.08Å; W189-K193 HydrophobicContact CZ2-CD 3.94Å; W189-K193 VanDerWaalsContact CZ2-CE 3.44Å; W189-K193 HydrophobicContact CZ3-CD 4.5Å; W189-K193 PolarHBondContact O-N 3.22Å |
| 190 | V | 92.1 | Very high | 84.3 | Confident | 72 Ų | 72 | 104.3 Ų | 104.3 | 44% | 0.436 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 176.3 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | L186 I187 K193 E194 | L186-V190 WeakPolarHBondContact O-CG2 3.35Å; L186-V190 PolarHBondContact O-N 2.75Å; I187-V190 PolarHBondContact O-N 2.88Å; V190-K193 PolarHBondContact O-N 3.37Å; V190-E194 PolarHBondContact O-N 3.1Å |
| 191 | K | 92.4 | Very high | 83.9 | Confident | 145 Ų | 145 | 105.7 Ų | 105.7 | 63% | 0.63 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.9 | -42.9 | 177.2 | -71 | -67.2 | -175 | -179 | 0 | 112.1 | I187 V188 K193 E194 V195 | I187-K191 WeakPolarHBondContact O-CB 3.21Å; I187-K191 VanDerWaalsContact O-CG 3.31Å; I187-K191 WeakPolarHBondContact O-CG 3.28Å; I187-K191 PolarHBondContact O-N 3.13Å; V188-K191 PolarHBondContact O-N 3.49Å; K191-K193 VanDerWaalsContact C-N 3.31Å; K191-K193 PolarHBondContact O-N 2.82Å; K191-E194 PolarHBondContact O-N 2.53Å; K191-V195 WeakPolarHBondContact O-CG2 3.33Å; K191-V195 PolarHBondContact O-N 2.04Å |
| 192 | R | 87.6 | Confident | 82.9 | Confident | 182 Ų | 182 | 106.3 Ų | 106.3 | 69% | 0.687 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.1 | -41.7 | 173.3 | -78.2 | -176.8 | 179.9 | -170.7 | 1.3 | 111.7 | V188 W189 Q196 | V188-R192 HydrophobicContact CG1-CG 4.5Å; V188-R192 WeakPolarHBondContact O-CB 3.42Å; V188-R192 WeakPolarHBondContact O-CG 3.4Å; V188-R192 PolarHBondContact O-N 3.14Å; W189-R192 PolarHBondContact O-N 3.21Å; R192-Q196 VanDerWaalsContact O-CB 3.25Å; R192-Q196 WeakPolarHBondContact O-CB 2.99Å; R192-Q196 PolarHBondContact O-N 2.84Å |
| 193 | K | 87.9 | Confident | 81.6 | Confident | 92 Ų | 92 | 109.7 Ų | 109.7 | 40% | 0.4 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 176.9 | -92.5 | -157.9 | 172.2 | -178.7 | 0 | 113.1 | W189 V190 K191 Q196 K197 | W189-K193 HydrophobicContact CH2-CD 4.08Å; W189-K193 HydrophobicContact CZ2-CD 3.94Å; W189-K193 VanDerWaalsContact CZ2-CE 3.44Å; W189-K193 HydrophobicContact CZ3-CD 4.5Å; W189-K193 PolarHBondContact O-N 3.22Å; V190-K193 PolarHBondContact O-N 3.37Å; K191-K193 VanDerWaalsContact C-N 3.31Å; K191-K193 PolarHBondContact O-N 2.82Å; K193-Q196 PolarHBondContact O-N 3.07Å; K193-K197 WeakPolarHBondContact O-CB 3.38Å; K193-K197 VanDerWaalsContact O-CG 3.3Å; K193-K197 WeakPolarHBondContact O-CG 3.42Å; K193-K197 PolarHBondContact O-N 2.96Å |
| 194 | E | 84.3 | Confident | 80.2 | Confident | 91 Ų | 91 | 115.3 Ų | 115.3 | 43% | 0.425 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 177.5 | -75.6 | -57.9 | 128.7 | 0 | 0 | 111.8 | V190 K191 Q196 K197 T198 | V190-E194 PolarHBondContact O-N 3.1Å; K191-E194 PolarHBondContact O-N 2.53Å; E194-Q196 PolarHBondContact O-N 3.41Å; E194-K197 PolarHBondContact O-N 2.73Å; E194-K197 IonicContact OE1-NZ 2.83Å; E194-K197 PolarHBondContact OE1-NZ 2.79Å; E194-T198 PolarHBondContact O-N 2.8Å; E194-T198 PolarHBondContact O-OG1 3.23Å; E194-T198 VanDerWaalsContact O-OG1 3.08Å |
| 195 | V | 84 | Confident | 78.7 | Confident | 93 Ų | 93 | 117.9 Ų | 117.9 | 56% | 0.564 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.6 | -45.7 | 173 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | K191 K197 T198 C199 | K191-V195 WeakPolarHBondContact O-CG2 3.33Å; K191-V195 PolarHBondContact O-N 2.04Å; V195-K197 VanDerWaalsContact C-N 3.33Å; V195-K197 PolarHBondContact O-N 3.09Å; V195-T198 PolarHBondContact O-N 3.4Å; V195-C199 PolarHBondContact O-N 3.04Å; V195-C199 PolarHBondContact O-SG 3.02Å |
| 196 | Q | 80.8 | Confident | 77 | Confident | 94 Ų | 94 | 120.6 Ų | 120.6 | 44% | 0.439 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.2 | -38.3 | 178.8 | -171.3 | -178.7 | 14.1 | 0 | 0 | 112.5 | R192 K193 E194 R200 | R192-Q196 VanDerWaalsContact O-CB 3.25Å; R192-Q196 WeakPolarHBondContact O-CB 2.99Å; R192-Q196 PolarHBondContact O-N 2.84Å; K193-Q196 PolarHBondContact O-N 3.07Å; E194-Q196 PolarHBondContact O-N 3.41Å; Q196-R200 WeakPolarHBondContact O-CB 3.06Å; Q196-R200 VanDerWaalsContact O-CG 3.27Å; Q196-R200 WeakPolarHBondContact O-CG 3.42Å; Q196-R200 PolarHBondContact O-N 2.86Å |
| 197 | K | 81 | Confident | 75.2 | Confident | 117 Ų | 117 | 123 Ų | 123 | 51% | 0.509 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.7 | -44.7 | 174.9 | -75.2 | 177.2 | -165.7 | 166.8 | 0 | 111.5 | K193 E194 V195 R200 K201 | K193-K197 WeakPolarHBondContact O-CB 3.38Å; K193-K197 VanDerWaalsContact O-CG 3.3Å; K193-K197 WeakPolarHBondContact O-CG 3.42Å; K193-K197 PolarHBondContact O-N 2.96Å; E194-K197 PolarHBondContact O-N 2.73Å; E194-K197 IonicContact OE1-NZ 2.83Å; E194-K197 PolarHBondContact OE1-NZ 2.79Å; V195-K197 VanDerWaalsContact C-N 3.33Å; V195-K197 PolarHBondContact O-N 3.09Å; K197-R200 PolarHBondContact O-N 3.22Å; K197-K201 PolarHBondContact O-N 3.27Å |
| 198 | T | 74.4 | Confident | 73 | Confident | 75 Ų | 75 | 121.6 Ų | 121.6 | 46% | 0.46 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.6 | -44.2 | 177.7 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | E194 V195 R200 K201 H202 | E194-T198 PolarHBondContact O-N 2.8Å; E194-T198 PolarHBondContact O-OG1 3.23Å; E194-T198 VanDerWaalsContact O-OG1 3.08Å; V195-T198 PolarHBondContact O-N 3.4Å; T198-R200 PolarHBondContact O-N 2.87Å; T198-K201 PolarHBondContact O-N 3.17Å; T198-H202 PolarHBondContact O-CD2 3.29Å; T198-H202 PolarHBondContact O-N 3.04Å; T198-H202 VanDerWaalsContact O-N 3.08Å |
| 199 | C | 69.7 | Low | 70.5 | Confident | 68 Ų | 68 | 123.9 Ų | 123.9 | 46% | 0.459 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.9 | -40 | 173.5 | -65.1 | 0 | 0 | 0 | 0 | 112.5 | V195 K201 R203 | V195-C199 PolarHBondContact O-N 3.04Å; V195-C199 PolarHBondContact O-SG 3.02Å; C199-K201 VanDerWaalsContact C-N 3.31Å; C199-K201 PolarHBondContact O-N 3.35Å; C199-R203 PolarHBondContact O-N 3.31Å; C199-R203 VanDerWaalsContact O-N 3.11Å |
| 200 | R | 70.3 | Confident | 67.9 | Low | 164 Ų | 164 | 125.7 Ų | 125.7 | 62% | 0.619 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66 | -31.9 | 175.4 | -79.7 | 178.6 | 176.2 | -171.4 | -0.7 | 112.7 | Q196 K197 T198 K204 | Q196-R200 WeakPolarHBondContact O-CB 3.06Å; Q196-R200 VanDerWaalsContact O-CG 3.27Å; Q196-R200 WeakPolarHBondContact O-CG 3.42Å; Q196-R200 PolarHBondContact O-N 2.86Å; K197-R200 PolarHBondContact O-N 3.22Å; T198-R200 PolarHBondContact O-N 2.87Å; R200-K204 PolarHBondContact O-N 3.03Å |
| 201 | K | 69.2 | Low | 65 | Low | 150 Ų | 150 | 131.6 Ų | 131.6 | 65% | 0.652 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -71 | -48.5 | 177.5 | -169.7 | 178.3 | 178.1 | -174.4 | 0 | 111.2 | K197 T198 C199 R203 K204 E205 | K197-K201 PolarHBondContact O-N 3.27Å; T198-K201 PolarHBondContact O-N 3.17Å; C199-K201 VanDerWaalsContact C-N 3.31Å; C199-K201 PolarHBondContact O-N 3.35Å; K201-R203 PolarHBondContact O-N 2.89Å; K201-K204 PolarHBondContact O-N 3.13Å; K201-E205 PolarHBondContact O-N 2.02Å |
| 202 | H | 61.5 | Low | 62.6 | Low | 117 Ų | 117 | 129 Ų | 129 | 54% | 0.542 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -59.4 | -34.2 | 174.2 | -82.4 | -76.4 | 0 | 0 | 0 | 112.8 | T198 K204 N206 | T198-H202 PolarHBondContact O-CD2 3.29Å; T198-H202 PolarHBondContact O-N 3.04Å; T198-H202 VanDerWaalsContact O-N 3.08Å; H202-K204 VanDerWaalsContact C-N 3.33Å; H202-K204 PolarHBondContact O-N 3.28Å; H202-N206 PolarHBondContact O-N 3.49Å |
| 203 | R | 57.2 | Low | 61.1 | Low | 193 Ų | 193 | 125.5 Ų | 125.5 | 73% | 0.728 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.5 | -30.2 | 174.7 | -171.8 | 174.3 | 178.7 | 176.1 | 1.6 | 113.6 | C199 K201 | C199-R203 PolarHBondContact O-N 3.31Å; C199-R203 VanDerWaalsContact O-N 3.11Å; K201-R203 PolarHBondContact O-N 2.89Å |
| 204 | K | 56.3 | Low | 58.3 | Low | 172 Ų | 172 | 127.4 Ų | 127.4 | 75% | 0.748 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -81.8 | -29.4 | 179.2 | -75.1 | -173.3 | 176.7 | -170.5 | 0 | 113 | R200 K201 H202 Q207 | R200-K204 PolarHBondContact O-N 3.03Å; K201-K204 PolarHBondContact O-N 3.13Å; H202-K204 VanDerWaalsContact C-N 3.33Å; H202-K204 PolarHBondContact O-N 3.28Å; K204-Q207 PolarHBondContact O-N 3.29Å |
| 205 | E | 56.3 | Low | 55.7 | Low | 140 Ų | 140 | 131 Ų | 131 | 65% | 0.654 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -72.8 | -30.7 | 177.1 | -131.4 | 167.2 | 159.7 | 0 | 0 | 112.2 | K201 Q207 | K201-E205 PolarHBondContact O-N 2.02Å; E205-Q207 VanDerWaalsContact C-N 3.29Å; E205-Q207 PolarHBondContact O-N 3.47Å |
| 206 | N | 51.9 | Low | 53.2 | Low | 142 Ų | 142 | 133.6 Ų | 133.6 | 76% | 0.759 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 0.9 | 176 | -72.9 | -5.9 | 0 | 0 | 0 | 114.6 | H202 | H202-N206 PolarHBondContact O-N 3.49Š|
| 207 | Q | 51.3 | Low | 51.5 | Low | 162 Ų | 162 | 134.3 Ų | 134.3 | 76% | 0.757 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | 25.3 | -177.8 | -151.6 | 161.6 | 20 | 0 | 0 | 112.8 | K204 E205 | K204-Q207 PolarHBondContact O-N 3.29Å; E205-Q207 VanDerWaalsContact C-N 3.29Å; E205-Q207 PolarHBondContact O-N 3.47Å |
| 208 | G | 42.8 | Very low | 49.2 | Very low | 73 Ų | 73 | 137.4 Ų | 137.4 | 75% | 0.753 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -118.6 | 17.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 209 | S | 38.5 | Very low | 47.2 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -146.4 | 104.1 | 167.5 | -166.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 210 | H | 36 | Very low | 45.3 | Very low | 181 Ų | 181 | 144.7 Ų | 144.7 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | trans | -108.2 | 101.7 | 173.1 | -156.5 | -83.3 | 0 | 0 | 0 | 108 | ||||
| 211 | E | 32.7 | Very low | 43.7 | Very low | 196 Ų | 196 | 142.8 Ų | 142.8 | 92% | 0.916 | 76% | 0.763 | S | S | * | * | trans | -132.2 | 134.8 | 147.6 | -127.7 | -178.9 | 121.5 | 0 | 0 | 106.2 | ||||
| 212 | S | 41 | Very low | 42.1 | Very low | 91 Ų | 91 | 140.2 Ų | 140.2 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | trans | -125 | 168.5 | -168.1 | -171.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 213 | P | 57.1 | Low | 41.1 | Very low | 107 Ų | 107 | 142.2 Ų | 142.2 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | cis | -120.4 | 164.9 | -4.1 | 16.4 | 9.2 | 0 | 0 | 0 | 111.6 | ||||
| 214 | T | 29 | Very low | 39.8 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | -173.8 | 147 | 86.4 | -36.7 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 215 | L | 29.7 | Very low | 38.7 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | 87.6 | 107.8 | 164.7 | -132.9 | 100.9 | 0 | 0 | 0 | 119.6 | ||||
| 216 | N | 30 | Very low | 37.5 | Very low | 147 Ų | 147 | 137 Ų | 137 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | trans | -74.3 | 178.2 | 166.8 | -73.3 | -55.4 | 0 | 0 | 0 | 112.2 | ||||
| 217 | P | 45 | Very low | 36.5 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | cis | -132.6 | 180 | -34.9 | 31.9 | -12.8 | 0 | 0 | 0 | 112.6 | ||||
| 218 | M | 33.7 | Very low | 35.7 | Very low | 183 Ų | 183 | 133.2 Ų | 133.2 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | trans | 65.6 | 105.1 | 153.2 | -83.2 | -178.9 | 157.8 | 0 | 0 | 117.4 | ||||
| 219 | E | 31.4 | Very low | 35.1 | Very low | 200 Ų | 200 | 138.6 Ų | 138.6 | 94% | 0.935 | 81% | 0.813 | S | S | * | * | -143.6 | 131.1 | 125.5 | -119.3 | -179.5 | 154.6 | 0 | 0 | 112.9 | |||||
| 220 | S | 31.1 | Very low | 34.6 | Very low | 95 Ų | 95 | 136.1 Ų | 136.1 | 66% | 0.664 | 81% | 0.805 | S | S | * | * | trans | -65.5 | 150.5 | -175.2 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | S222 | S220-S222 PolarHBondContact O-N 3.12Š| ||
| 221 | C | 37.1 | Very low | 34.2 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -68 | 87.1 | 164.2 | -166.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 222 | S | 33.6 | Very low | 34 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 67% | 0.671 | 81% | 0.808 | S | S | * | * | trans | -90.3 | 132.1 | 174.4 | -69.3 | 0 | 0 | 0 | 0 | 110 | S220 A224 | S220-S222 PolarHBondContact O-N 3.12Å; S222-A224 PolarHBondContact O-N 3.44Å; S222-A224 VanDerWaalsContact O-N 3.16Å | ||
| 223 | I | 41.5 | Very low | 33.6 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 82% | 0.815 | 82% | 0.821 | S | S | * | * | trans | -57.6 | 114.3 | 172.4 | -63.8 | 178.4 | 0 | 0 | 0 | 107.9 | Q225 | I223-Q225 PolarHBondContact O-N 3.29Š| ||
| 224 | A | 30.8 | Very low | 32.5 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | -68.5 | 98.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | S222 | S222-A224 PolarHBondContact O-N 3.44Å; S222-A224 VanDerWaalsContact O-N 3.16Å | ||
| 225 | Q | 31.5 | Very low | 32.6 | Very low | 181 Ų | 181 | 135.1 Ų | 135.1 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | -73.3 | 118 | 153.1 | -73.5 | 178.1 | -73.9 | 0 | 0 | 107 | I223 G227 | I223-Q225 PolarHBondContact O-N 3.29Å; Q225-G227 PolarHBondContact O-N 3.13Å; Q225-G227 VanDerWaalsContact O-N 3.07Å | ||
| 226 | A | 31.9 | Very low | 32.7 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 93% | 0.926 | 83% | 0.825 | S | S | * | * | trans | -68.4 | 101.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 227 | G | 31.7 | Very low | 32.8 | Very low | 72 Ų | 72 | 137 Ų | 137 | 74% | 0.742 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 126.1 | 167 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q225 | Q225-G227 PolarHBondContact O-N 3.13Å; Q225-G227 VanDerWaalsContact O-N 3.07Å |
| 228 | V | 33.3 | Very low | 32.7 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 140.9 | 170.4 | 174.5 | 0 | 0 | 0 | 0 | 109.4 | ||
| 229 | Q | 31 | Very low | 32.6 | Very low | 187 Ų | 187 | 137.8 Ų | 137.8 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 135.4 | -170.3 | -173.4 | 157.7 | 8.8 | 0 | 0 | 114.4 | ||
| 230 | G | 28.5 | Very low | 32.9 | Very low | 64 Ų | 64 | 133.5 Ų | 133.5 | 66% | 0.66 | 82% | 0.82 | S | S | * | * | trans | 60.6 | 145.3 | 144 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 231 | C | 27.5 | Very low | 33.4 | Very low | 130 Ų | 130 | 135 Ų | 135 | 88% | 0.878 | 83% | 0.828 | S | S | * | * | cis | -149.5 | 141.4 | 38.4 | -64 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 232 | N | 28.4 | Very low | 33.1 | Very low | 174 Ų | 174 | 132.5 Ų | 132.5 | 93% | 0.93 | 82% | 0.824 | S | S | * | * | trans | -109.3 | 127.4 | 161.4 | -87 | -28.5 | 0 | 0 | 0 | 108.6 | ||||
| 233 | H | 32.7 | Very low | 33.3 | Very low | 198 Ų | 198 | 136 Ų | 136 | 92% | 0.917 | 83% | 0.834 | S | S | * | * | trans | -92.4 | 134 | 173.1 | -142.2 | -98.8 | 0 | 0 | 0 | 108.8 | ||||
| 234 | G | 34.1 | Very low | 33.1 | Very low | 76 Ų | 76 | 141.6 Ų | 141.6 | 78% | 0.784 | 85% | 0.852 | S | S | * | * | trans | -68.7 | 160.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 235 | S | 29.5 | Very low | 33.3 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 77% | 0.769 | 85% | 0.853 | S | S | * | * | trans | -104.7 | 134.6 | 170.7 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 236 | L | 31.6 | Very low | 33.4 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 92% | 0.916 | 85% | 0.853 | S | S | * | * | trans | -140 | 133.4 | 153.6 | -130.9 | 82.2 | 0 | 0 | 0 | 107.5 | ||||
| 237 | Q | 33.3 | Very low | 33.4 | Very low | 176 Ų | 176 | 143.3 Ų | 143.3 | 82% | 0.822 | 85% | 0.849 | S | S | * | * | trans | -77.1 | -157 | -170.5 | -61.4 | 179.6 | -72.1 | 0 | 0 | 114.2 | ||||
| 238 | P | 42.7 | Very low | 33.5 | Very low | 104 Ų | 104 | 147.5 Ų | 147.5 | 68% | 0.675 | 86% | 0.855 | S | S | * | * | -117.1 | 166.4 | -91.9 | 36.7 | -19.3 | 0 | 0 | 0 | 112.7 | |||||
| 239 | Q | 31.2 | Very low | 33.6 | Very low | 205 Ų | 205 | 147.2 Ų | 147.2 | 96% | 0.958 | 85% | 0.851 | S | S | * | * | trans | -169.3 | 136.1 | 152.3 | -108.4 | 167.5 | 36.5 | 0 | 0 | 112.2 | ||||
| 240 | S | 37.1 | Very low | 33.7 | Very low | 110 Ų | 110 | 144.5 Ų | 144.5 | 77% | 0.769 | 85% | 0.85 | S | S | * | * | trans | -107.9 | 152.2 | 162.3 | -177.8 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 241 | P | 41.6 | Very low | 34.1 | Very low | 127 Ų | 127 | 150.3 Ų | 150.3 | 83% | 0.825 | 86% | 0.863 | S | S | * | * | -150.9 | 177.7 | 52.7 | 37.7 | -14.4 | 0 | 0 | 0 | 116.7 | |||||
| 242 | G | 31.6 | Very low | 34.6 | Very low | 73 Ų | 73 | 151.8 Ų | 151.8 | 75% | 0.753 | 86% | 0.862 | S | S | * | * | trans | 151.6 | 104 | 154.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 243 | L | 38.3 | Very low | 35.1 | Very low | 169 Ų | 169 | 150 Ų | 150 | 89% | 0.885 | 86% | 0.856 | S | S | * | * | trans | -14.8 | 128.5 | 155.4 | -88 | 62.1 | 0 | 0 | 0 | 118 | ||||
| 244 | K | 37.9 | Very low | 35.4 | Very low | 277 Ų | 277 | 145.6 Ų | 145.6 | 100% | 1.204 | 85% | 0.851 | S | S | * | * | -175.5 | 0 | 99.4 | -103.5 | 178.5 | -178.7 | 178.3 | 0 | 110.6 |
Retrieved 244 of 244 residues in 50 ms
(Link to these results)