| 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 | 33 | Very low | 33.1 | Very low | 227 Ų | 227 | 147.2 Ų | 147.2 | 100% | 1.118 | 81% | 0.812 | S | S | * | * | 0 | 68.2 | 0 | -64.8 | -174.1 | -177.7 | 0 | 0 | 110.4 | |||||
| 2 | D | 32.8 | Very low | 32.7 | Very low | 138 Ų | 138 | 153.3 Ų | 153.3 | 74% | 0.738 | 81% | 0.814 | S | S | * | * | cis | -149.1 | 138.6 | -12 | -82.9 | -37 | 0 | 0 | 0 | 108 | ||||
| 3 | A | 31.5 | Very low | 32.6 | Very low | 94 Ų | 94 | 158.2 Ų | 158.2 | 78% | 0.777 | 82% | 0.817 | S | S | * | * | 45.8 | 129.8 | 100.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 4 | A | 35 | Very low | 32.5 | Very low | 92 Ų | 92 | 156.9 Ų | 156.9 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | cis | -170.4 | 174.8 | 12.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 5 | S | 33.6 | Very low | 32.6 | Very low | 90 Ų | 90 | 151.2 Ų | 151.2 | 63% | 0.629 | 81% | 0.807 | S | S | * | * | cis | 179.9 | 157.9 | -18 | 57.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 6 | L | 35.5 | Very low | 32.4 | Very low | 155 Ų | 155 | 149.5 Ų | 149.5 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | 67 | 128.7 | 158.5 | -61.6 | 161 | 0 | 0 | 0 | 116.1 | ||||
| 7 | N | 33.5 | Very low | 32.5 | Very low | 143 Ų | 143 | 147.2 Ų | 147.2 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | cis | 71.7 | 146.1 | 26.2 | -144.9 | 23.2 | 0 | 0 | 0 | 113.6 | ||||
| 8 | P | 37.4 | Very low | 32.4 | Very low | 103 Ų | 103 | 147.9 Ų | 147.9 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | -122.4 | -161.3 | -65.7 | 36.9 | -24.9 | 0 | 0 | 0 | 112.5 | L10 | P8-L10 PolarHBondContact O-N 2.82Å; P8-L10 VanDerWaalsContact O-N 3.07Å | |||
| 9 | R | 27.1 | Very low | 32.5 | Very low | 242 Ų | 242 | 147.8 Ų | 147.8 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | trans | -48.1 | 110.3 | 161.1 | -69.6 | 174.6 | 173.4 | 164.7 | -2.8 | 111.5 | ||||
| 10 | L | 31 | Very low | 32.8 | Very low | 163 Ų | 163 | 146 Ų | 146 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | 171.7 | 111.7 | 134.9 | -98 | 163.8 | 0 | 0 | 0 | 110.7 | P8 | P8-L10 PolarHBondContact O-N 2.82Å; P8-L10 VanDerWaalsContact O-N 3.07Å | ||
| 11 | L | 33.7 | Very low | 32.8 | Very low | 172 Ų | 172 | 146.2 Ų | 146.2 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | trans | -167 | 122.6 | 139.7 | -108.2 | 165.5 | 0 | 0 | 0 | 109.7 | ||||
| 12 | R | 28.5 | Very low | 32.8 | Very low | 221 Ų | 221 | 142.1 Ų | 142.1 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | -79.8 | 143.7 | 154.2 | -61.9 | 174.4 | 176.7 | 175.9 | -2.5 | 106.7 | ||||
| 13 | Y | 31.8 | Very low | 32.7 | Very low | 216 Ų | 216 | 140.5 Ų | 140.5 | 85% | 0.847 | 77% | 0.769 | S | S | * | * | -166.2 | 166.9 | 118 | -119.5 | -87 | 0 | 0 | 0 | 111.6 | |||||
| 14 | N | 30.4 | Very low | 32.9 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | trans | -82.6 | 164.8 | -168.5 | -53.9 | -33.9 | 0 | 0 | 0 | 113.8 | ||||
| 15 | G | 35 | Very low | 32.8 | Very low | 71 Ų | 71 | 145.6 Ų | 145.6 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | trans | 154.1 | 73.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 16 | T | 29.4 | Very low | 32.7 | Very low | 124 Ų | 124 | 147.5 Ų | 147.5 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | cis | 56.2 | 76.7 | 49.8 | 68.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 17 | C | 33.3 | Very low | 32.5 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | -150.5 | 129.4 | 131.5 | -86.3 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 18 | Q | 30.8 | Very low | 32.5 | Very low | 161 Ų | 161 | 142.9 Ų | 142.9 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | 58.6 | 101.4 | 73.3 | -68.1 | -179.8 | -43.4 | 0 | 0 | 109.9 | |||||
| 19 | D | 34.2 | Very low | 32.2 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | 75.3 | 164.3 | 83 | -76.3 | -47.6 | 0 | 0 | 0 | 111.2 | |||||
| 20 | P | 39.4 | Very low | 32.2 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | cis | -106.5 | -148.3 | -17.7 | 16.2 | 7.4 | 0 | 0 | 0 | 109.5 | ||||
| 21 | E | 31.3 | Very low | 32.1 | Very low | 151 Ų | 151 | 135.8 Ų | 135.8 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | cis | -166.5 | 150.1 | 35.4 | -92.7 | -159.6 | 142.3 | 0 | 0 | 113.9 | ||||
| 22 | I | 33 | Very low | 31.9 | Very low | 141 Ų | 141 | 132 Ų | 132 | 72% | 0.723 | 71% | 0.71 | S | S | * | * | trans | 61.3 | 142 | 132.7 | -64.4 | 177.5 | 0 | 0 | 0 | 120.3 | ||||
| 23 | S | 32.3 | Very low | 32 | Very low | 103 Ų | 103 | 128.3 Ų | 128.3 | 72% | 0.72 | 71% | 0.707 | S | S | * | * | cis | -173.8 | 154.8 | -21 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 24 | G | 35.1 | Very low | 32.2 | Very low | 61 Ų | 61 | 123.2 Ų | 123.2 | 63% | 0.629 | 70% | 0.7 | S | S | * | * | trans | 146.3 | 101.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 25 | R | 33.2 | Very low | 32.5 | Very low | 233 Ų | 233 | 122 Ų | 122 | 88% | 0.879 | 70% | 0.698 | S | S | * | * | 53.3 | 135 | 61 | -58.2 | -174.1 | 168.5 | -166.2 | -0.4 | 112.5 | |||||
| 26 | V | 31.8 | Very low | 32.4 | Very low | 130 Ų | 130 | 123.8 Ų | 123.8 | 79% | 0.788 | 70% | 0.696 | S | S | * | * | cis | -161.7 | 143.1 | -8 | 127.7 | 0 | 0 | 0 | 0 | 103 | ||||
| 27 | G | 31.1 | Very low | 32.4 | Very low | 33 Ų | 33 | 126.7 Ų | 126.7 | 34% | 0.34 | 70% | 0.699 | S | S | . | * | cis | 139 | -167.2 | 26.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 28 | K | 32.5 | Very low | 32.2 | Very low | 168 Ų | 168 | 129.3 Ų | 129.3 | 73% | 0.73 | 70% | 0.699 | S | S | * | * | trans | 28.1 | 135.2 | 143.7 | -62.5 | 167.7 | -175.4 | 175.3 | 0 | 118 | ||||
| 29 | K | 30.5 | Very low | 32.2 | Very low | 135 Ų | 135 | 127 Ų | 127 | 59% | 0.587 | 70% | 0.697 | S | S | * | * | cis | -179 | 170.1 | 45.6 | -139.2 | 174.6 | 173.3 | -173 | 0 | 108.9 | K1521 | K29-K1521 WeakPolarHBondContact O-CD 3.44Å; K29-K1521 WeakPolarHBondContact O-CE 3.17Å; K29-K1521 PolarHBondContact O-NZ 3.03Å | ||
| 30 | I | 28 | Very low | 32.1 | Very low | 109 Ų | 109 | 124.1 Ų | 124.1 | 56% | 0.559 | 69% | 0.686 | S | S | * | * | trans | 68.4 | 142.5 | 148.1 | -78 | 163.9 | 0 | 0 | 0 | 118 | K1521 | I30-K1521 PolarHBondContact O-NZ 2.88Š| ||
| 31 | V | 28.7 | Very low | 31.7 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 69% | 0.691 | 69% | 0.689 | S | S | * | * | cis | -167.4 | 168.7 | -22.1 | 77.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 32 | C | 29.3 | Very low | 31.5 | Very low | 94 Ų | 94 | 127.1 Ų | 127.1 | 64% | 0.635 | 68% | 0.683 | S | S | * | * | trans | 58 | 138.4 | 162.8 | -69.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 33 | D | 30.8 | Very low | 31.4 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 77% | 0.765 | 69% | 0.688 | S | S | * | * | cis | 75.4 | 138.3 | 47.5 | -63.6 | -52.9 | 0 | 0 | 0 | 113.4 | ||||
| 34 | P | 35.6 | Very low | 31.3 | Very low | 108 Ų | 108 | 130 Ų | 130 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | cis | -140.1 | -154.2 | -20.5 | 36.9 | -15.5 | 0 | 0 | 0 | 113 | ||||
| 35 | T | 36.6 | Very low | 31 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | trans | -30.9 | 150.8 | 148.9 | 51.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 36 | P | 33.2 | Very low | 30.8 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 71% | 0.708 | 68% | 0.679 | S | S | * | * | cis | -139 | 156.6 | 49.9 | 41.1 | -22.5 | 0 | 0 | 0 | 115.3 | ||||
| 37 | K | 29.3 | Very low | 30.7 | Very low | 186 Ų | 186 | 127.5 Ų | 127.5 | 81% | 0.809 | 68% | 0.676 | S | S | * | * | 30.3 | 111.1 | 91 | -57.1 | -178.1 | -178.1 | 178.8 | 0 | 114.7 | |||||
| 38 | H | 29 | Very low | 30.7 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 76% | 0.759 | 69% | 0.693 | S | S | * | * | trans | 172.4 | 130.2 | 144 | -97.8 | -64.3 | 0 | 0 | 0 | 104.5 | ||||
| 39 | T | 32 | Very low | 30.6 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 69% | 0.693 | 69% | 0.694 | S | S | * | * | cis | 57.2 | 152 | 34.5 | 81.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 40 | P | 32.4 | Very low | 30.7 | Very low | 86 Ų | 86 | 131.2 Ų | 131.2 | 56% | 0.558 | 70% | 0.7 | S | S | * | * | cis | -124.1 | -156.4 | -9.4 | 11.5 | 16.4 | 0 | 0 | 0 | 111.4 | ||||
| 41 | Y | 29.1 | Very low | 30.8 | Very low | 201 Ų | 201 | 132.8 Ų | 132.8 | 79% | 0.788 | 71% | 0.709 | S | S | * | * | trans | 68.7 | 118.2 | 166 | -52.6 | -62.9 | 0 | 0 | 0 | 116.4 | ||||
| 42 | Q | 29.1 | Very low | 31 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 58% | 0.579 | 71% | 0.707 | S | S | * | * | cis | 58 | 82.6 | 25.5 | -165.9 | -162.6 | -11.5 | 0 | 0 | 113.9 | ||||
| 43 | M | 29.4 | Very low | 31.4 | Very low | 166 Ų | 166 | 132.1 Ų | 132.1 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | -130.5 | 138.3 | 117.8 | -86.1 | 176.1 | 175.9 | 0 | 0 | 105.8 | |||||
| 44 | Q | 30.4 | Very low | 31.3 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 64% | 0.64 | 69% | 0.689 | S | S | * | * | 60.7 | 128.3 | 66 | -67.2 | 175.9 | -55.3 | 0 | 0 | 110.9 | |||||
| 45 | T | 29.7 | Very low | 30.8 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 62% | 0.62 | 69% | 0.686 | S | S | * | * | cis | -151.3 | 165.1 | 15.2 | -13.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 46 | E | 28.8 | Very low | 30.6 | Very low | 170 Ų | 170 | 127.2 Ų | 127.2 | 79% | 0.794 | 68% | 0.676 | S | S | * | * | trans | 18.4 | 139.8 | 131.1 | -76.4 | 150.9 | -140.2 | 0 | 0 | 118.8 | ||||
| 47 | S | 29.8 | Very low | 30.5 | Very low | 101 Ų | 101 | 126 Ų | 126 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | cis | -177.1 | -165.9 | 21.2 | 42.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 48 | V | 31.2 | Very low | 30.4 | Very low | 117 Ų | 117 | 122.8 Ų | 122.8 | 71% | 0.709 | 67% | 0.673 | S | S | * | * | trans | 65.4 | 93.5 | 163.6 | -174 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 49 | H | 30.7 | Very low | 30.3 | Very low | 163 Ų | 163 | 124.3 Ų | 124.3 | 76% | 0.755 | 68% | 0.68 | S | S | * | * | 74 | 142.7 | 81.4 | -84.4 | 47.2 | 0 | 0 | 0 | 115.8 | |||||
| 50 | N | 30.7 | Very low | 30.3 | Very low | 134 Ų | 134 | 123.3 Ų | 123.3 | 72% | 0.717 | 68% | 0.684 | S | S | * | * | trans | 71.6 | 149.3 | 163.7 | -55.2 | -20.1 | 0 | 0 | 0 | 117 | ||||
| 51 | I | 30.4 | Very low | 29.9 | Very low | 142 Ų | 142 | 127 Ų | 127 | 73% | 0.728 | 70% | 0.698 | S | S | * | * | cis | -154.1 | 148.5 | -18.6 | -112.4 | 163.8 | 0 | 0 | 0 | 107.4 | ||||
| 52 | P | 34.6 | Very low | 30 | Very low | 103 Ų | 103 | 124.8 Ų | 124.8 | 67% | 0.669 | 70% | 0.698 | S | S | * | * | trans | -95.6 | -169.9 | 175.2 | 41.7 | -37.9 | 0 | 0 | 0 | 111.5 | ||||
| 53 | P | 35.6 | Very low | 29.9 | Very low | 91 Ų | 91 | 124 Ų | 124 | 59% | 0.591 | 71% | 0.706 | S | S | * | * | cis | -122.9 | -148.6 | -22.4 | 34.1 | -13.2 | 0 | 0 | 0 | 110.7 | ||||
| 54 | S | 29 | Very low | 30 | Very low | 60 Ų | 60 | 121 Ų | 121 | 42% | 0.42 | 70% | 0.702 | S | S | . | * | trans | 74.5 | 154.2 | 168.8 | 80.5 | 0 | 0 | 0 | 0 | 116.8 | N1363 | S54-N1363 PolarHBondContact O-OD1 2.69Š| ||
| 55 | S | 26.4 | Very low | 29.9 | Very low | 92 Ų | 92 | 121.4 Ų | 121.4 | 64% | 0.643 | 71% | 0.714 | S | S | * | * | cis | -168.5 | 79.3 | -25.2 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | N1363 | S55-N1363 PolarHBondContact N-OD1 2.99Š| ||
| 56 | F | 30.9 | Very low | 30.1 | Very low | 111 Ų | 111 | 123.1 Ų | 123.1 | 49% | 0.487 | 72% | 0.723 | S | S | . | * | trans | -135.9 | 123.2 | 169.5 | -83 | -56.8 | 0 | 0 | 0 | 115.6 | S1361 N1362 N1363 | F56-S1361 VanDerWaalsContact CZ-CB 3.4Å; F56-N1362 VanDerWaalsContact CZ-C 3.44Å; F56-N1362 WeakPolarHBondContact CZ-O 3.08Å; F56-N1363 WeakPolarHBondContact CD2-OD1 3.4Å; F56-N1363 HydrophobicContact CE2-CB 4.27Å; F56-N1363 WeakPolarHBondContact CE2-OD1 3.22Å | ||
| 57 | A | 31.2 | Very low | 30.4 | Very low | 84 Ų | 84 | 118.2 Ų | 118.2 | 69% | 0.694 | 72% | 0.719 | S | S | * | * | trans | -77.8 | 156.7 | 137.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 58 | P | 28.3 | Very low | 30.3 | Very low | 118 Ų | 118 | 119.6 Ų | 119.6 | 77% | 0.766 | 72% | 0.723 | S | S | * | * | -138 | -173.4 | 63.8 | 39.7 | -23.1 | 0 | 0 | 0 | 114.8 | |||||
| 59 | H | 26.4 | Very low | 30.5 | Very low | 197 Ų | 197 | 118.9 Ų | 118.9 | 91% | 0.912 | 72% | 0.721 | S | S | * | * | trans | -56.9 | 129.4 | 179.5 | -58.3 | -95 | 0 | 0 | 0 | 113.7 | ||||
| 60 | A | 31.3 | Very low | 30.7 | Very low | 92 Ų | 92 | 116.4 Ų | 116.4 | 76% | 0.76 | 72% | 0.719 | S | S | * | * | trans | -139.1 | 135.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | I62 | A60-I62 PolarHBondContact O-N 2.8Š| ||
| 61 | L | 25.7 | Very low | 30.5 | Very low | 164 Ų | 164 | 118.3 Ų | 118.3 | 86% | 0.859 | 73% | 0.728 | S | S | * | * | trans | -83 | 111.5 | -177.5 | -72 | 162.3 | 0 | 0 | 0 | 110.6 | ||||
| 62 | I | 31 | Very low | 30.5 | Very low | 154 Ų | 154 | 116.2 Ų | 116.2 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | trans | -132.9 | 121.3 | 163.7 | -57.1 | -178 | 0 | 0 | 0 | 109 | A60 S64 | A60-I62 PolarHBondContact O-N 2.8Å; I62-S64 PolarHBondContact O-N 3.07Å | ||
| 63 | S | 25.9 | Very low | 30.1 | Very low | 106 Ų | 106 | 115.7 Ų | 115.7 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | trans | -74 | 122.1 | 176 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 64 | S | 32.5 | Very low | 29.8 | Very low | 105 Ų | 105 | 117.5 Ų | 117.5 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | trans | -133.8 | 112.2 | 161.2 | 57.7 | 0 | 0 | 0 | 0 | 110.3 | I62 V66 | I62-S64 PolarHBondContact O-N 3.07Å; S64-V66 PolarHBondContact O-N 3.26Å | ||
| 65 | T | 28.6 | Very low | 29.9 | Very low | 145 Ų | 145 | 124.2 Ų | 124.2 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | trans | -69.9 | 112.7 | -178.7 | 47.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 66 | V | 33.6 | Very low | 30.1 | Very low | 136 Ų | 136 | 127.1 Ų | 127.1 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -107.2 | 118 | 160.2 | -178.8 | 0 | 0 | 0 | 0 | 107.2 | S64 T68 | S64-V66 PolarHBondContact O-N 3.26Å; V66-T68 PolarHBondContact O-N 3.41Å | ||
| 67 | G | 33.6 | Very low | 30.3 | Very low | 68 Ų | 68 | 130.5 Ų | 130.5 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 129.8 | -164.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 68 | T | 28.7 | Very low | 30.1 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 129.6 | 153.7 | 44.1 | 0 | 0 | 0 | 0 | 108.7 | V66 | V66-T68 PolarHBondContact O-N 3.41Š|
| 69 | P | 35 | Very low | 30.4 | Very low | 102 Ų | 102 | 133.2 Ų | 133.2 | 66% | 0.662 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 137.8 | 168.9 | 26.5 | -33.4 | 0 | 0 | 0 | 108.1 | I71 | P69-I71 PolarHBondContact O-N 3.44Š|
| 70 | P | 34.7 | Very low | 30.7 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 141.2 | -173.1 | 24.6 | -34.3 | 0 | 0 | 0 | 110.3 | S72 | P70-S72 PolarHBondContact O-N 3.02Š|
| 71 | I | 26.1 | Very low | 30.6 | Very low | 174 Ų | 174 | 137.5 Ų | 137.5 | 89% | 0.892 | 78% | 0.779 | S | S | * | * | trans | -64.2 | 93.6 | 167.2 | -62.2 | 172.1 | 0 | 0 | 0 | 105.8 | P69 S73 | P69-I71 PolarHBondContact O-N 3.44Å; I71-S73 PolarHBondContact O-N 2.81Å | ||
| 72 | S | 31.5 | Very low | 31.1 | Very low | 97 Ų | 97 | 138.8 Ų | 138.8 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | -69.1 | 106 | -177.4 | 56.8 | 0 | 0 | 0 | 0 | 108.6 | P70 V74 | P70-S72 PolarHBondContact O-N 3.02Å; S72-V74 PolarHBondContact O-N 3.16Å | ||
| 73 | S | 25.7 | Very low | 31.3 | Very low | 92 Ų | 92 | 138.5 Ų | 138.5 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | trans | -53.4 | 103.1 | 172.8 | 52.8 | 0 | 0 | 0 | 0 | 110.2 | I71 Y75 | I71-S73 PolarHBondContact O-N 2.81Å; S73-Y75 PolarHBondContact O-N 2.93Å; S73-Y75 VanDerWaalsContact O-N 3.16Å | ||
| 74 | V | 30.4 | Very low | 32.1 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | trans | -69.7 | 106.8 | 156.8 | 179.2 | 0 | 0 | 0 | 0 | 105.3 | S72 L76 | S72-V74 PolarHBondContact O-N 3.16Å; V74-L76 PolarHBondContact O-N 2.93Å | ||
| 75 | Y | 30.6 | Very low | 32.5 | Very low | 201 Ų | 201 | 142.8 Ų | 142.8 | 79% | 0.788 | 78% | 0.778 | S | S | * | * | trans | -56.4 | 123.8 | 168.5 | -92.4 | -112.2 | 0 | 0 | 0 | 107.9 | S73 E77 | S73-Y75 PolarHBondContact O-N 2.93Å; S73-Y75 VanDerWaalsContact O-N 3.16Å; Y75-E77 PolarHBondContact O-N 3.24Å | ||
| 76 | L | 30.1 | Very low | 33.3 | Very low | 152 Ų | 152 | 144 Ų | 144 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | trans | -74.3 | 80.3 | 162.7 | -82.9 | 167.6 | 0 | 0 | 0 | 107.5 | V74 | V74-L76 PolarHBondContact O-N 2.93Š| ||
| 77 | E | 35 | Very low | 33.5 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | -61.4 | 139.4 | 167.1 | -166.7 | 165.2 | -146.5 | 0 | 0 | 108.9 | Y75 G79 | Y75-E77 PolarHBondContact O-N 3.24Å; E77-G79 PolarHBondContact O-N 2.9Å | ||
| 78 | Q | 28 | Very low | 33.7 | Very low | 195 Ų | 195 | 148 Ų | 148 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | trans | -75.8 | 87.8 | -165.5 | -69.9 | 172.6 | -25.9 | 0 | 0 | 111.4 | ||||
| 79 | G | 33.4 | Very low | 34.1 | Very low | 64 Ų | 64 | 151.3 Ų | 151.3 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 128.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E77 | E77-G79 PolarHBondContact O-N 2.9Š|
| 80 | E | 33 | Very low | 34.4 | Very low | 185 Ų | 185 | 152 Ų | 152 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 134.5 | -172.6 | -61.4 | 173.3 | 134.1 | 0 | 0 | 112.6 | ||
| 81 | Y | 30.4 | Very low | 34.3 | Very low | 195 Ų | 195 | 155.4 Ų | 155.4 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 123.2 | 173.7 | -83.2 | -98.8 | 0 | 0 | 0 | 110.7 | F83 | Y81-F83 HydrophobicContact CD1-CD2 4.09Å; Y81-F83 AromaticContact CD1-CE2 3.32Å; Y81-F83 HydrophobicContact CD1-CE2 3.32Å; Y81-F83 AromaticContact CD1-CZ 3.71Å; Y81-F83 HydrophobicContact CD1-CZ 3.71Å; Y81-F83 AromaticContact CE1-CE2 3.98Å; Y81-F83 HydrophobicContact CE1-CE2 3.98Å; Y81-F83 AromaticContact CE1-CZ 3.98Å; Y81-F83 HydrophobicContact CE1-CZ 3.98Å; Y81-F83 HydrophobicContact CG-CD2 4.48Å; Y81-F83 AromaticContact CG-CE2 3.93Å; Y81-F83 HydrophobicContact CG-CE2 3.93Å |
| 82 | F | 35.3 | Very low | 35 | Very low | 190 Ų | 190 | 154.9 Ų | 154.9 | 83% | 0.833 | 79% | 0.794 | S | S | * | * | trans | -97.4 | 115.8 | 153.8 | -93.3 | -99.1 | 0 | 0 | 0 | 108.8 | ||||
| 83 | F | 35.1 | Very low | 35.2 | Very low | 148 Ų | 148 | 154.5 Ų | 154.5 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | trans | -103.2 | 128.3 | 161.5 | -76.1 | -84.4 | 0 | 0 | 0 | 107.9 | Y81 D85 | Y81-F83 HydrophobicContact CD1-CD2 4.09Å; Y81-F83 AromaticContact CD1-CE2 3.32Å; Y81-F83 HydrophobicContact CD1-CE2 3.32Å; Y81-F83 AromaticContact CD1-CZ 3.71Å; Y81-F83 HydrophobicContact CD1-CZ 3.71Å; Y81-F83 AromaticContact CE1-CE2 3.98Å; Y81-F83 HydrophobicContact CE1-CE2 3.98Å; Y81-F83 AromaticContact CE1-CZ 3.98Å; Y81-F83 HydrophobicContact CE1-CZ 3.98Å; Y81-F83 HydrophobicContact CG-CD2 4.48Å; Y81-F83 AromaticContact CG-CE2 3.93Å; Y81-F83 HydrophobicContact CG-CE2 3.93Å; F83-D85 PolarHBondContact O-N 3.04Å | ||
| 84 | D | 43.2 | Very low | 35.5 | Very low | 157 Ų | 157 | 158.3 Ų | 158.3 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | -84.9 | 89.2 | 167.8 | -72 | -52.8 | 0 | 0 | 0 | 108.8 | E86 | D84-E86 PolarHBondContact O-N 3.47Å; D84-E86 VanDerWaalsContact O-N 3.12Å | ||
| 85 | D | 40.4 | Very low | 35.8 | Very low | 145 Ų | 145 | 160 Ų | 160 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | trans | -75.4 | 89.8 | 175.5 | -78 | -43 | 0 | 0 | 0 | 111.2 | F83 | F83-D85 PolarHBondContact O-N 3.04Š| ||
| 86 | E | 44.9 | Very low | 36.1 | Very low | 170 Ų | 170 | 157.7 Ų | 157.7 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -109.5 | 7.8 | 178.4 | -145.9 | -169.9 | 176 | 0 | 0 | 114.4 | D84 | D84-E86 PolarHBondContact O-N 3.47Å; D84-E86 VanDerWaalsContact O-N 3.12Å | ||
| 87 | F | 38.2 | Very low | 36.2 | Very low | 209 Ų | 209 | 156.9 Ų | 156.9 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -139.2 | 27.9 | -176.5 | -95.1 | -75.1 | 0 | 0 | 0 | 116.4 | ||
| 88 | A | 37.4 | Very low | 36.3 | Very low | 80 Ų | 80 | 155.2 Ų | 155.2 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | trans | -113.9 | 109.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | P90 | A88-P90 WeakPolarHBondContact O-CD 3.32Š| ||
| 89 | E | 38.7 | Very low | 36.6 | Very low | 198 Ų | 198 | 155.4 Ų | 155.4 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 117.2 | 161.1 | -79 | -167.3 | 155.6 | 0 | 0 | 108.7 | ||
| 90 | P | 40.9 | Very low | 36.7 | Very low | 115 Ų | 115 | 157.6 Ų | 157.6 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -80 | 131.9 | 165 | -3.3 | 23.2 | 0 | 0 | 0 | 108.8 | A88 | A88-P90 WeakPolarHBondContact O-CD 3.32Š|
| 91 | M | 33.2 | Very low | 36.8 | Very low | 185 Ų | 185 | 155.5 Ų | 155.5 | 91% | 0.911 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 136.5 | 161.5 | -80.2 | -79.6 | 177.8 | 0 | 0 | 109.2 | P93 | M91-P93 WeakPolarHBondContact O-CD 3.35Š|
| 92 | D | 39.3 | Very low | 37 | Very low | 162 Ų | 162 | 151.9 Ų | 151.9 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | trans | -109.6 | 105.8 | -178.4 | -169.3 | 13.7 | 0 | 0 | 0 | 110.5 | ||||
| 93 | P | 35.6 | Very low | 37 | Very low | 90 Ų | 90 | 147.2 Ų | 147.2 | 58% | 0.584 | 75% | 0.75 | S | S | * | * | trans | -106.1 | 144.6 | -178.2 | 36.8 | -30 | 0 | 0 | 0 | 114.1 | M91 | M91-P93 WeakPolarHBondContact O-CD 3.35Š| ||
| 94 | H | 33.5 | Very low | 36.9 | Very low | 171 Ų | 171 | 151 Ų | 151 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | trans | 105.1 | 157.4 | 164.7 | -59.3 | -72.4 | 0 | 0 | 0 | 118.3 | ||||
| 95 | L | 36.5 | Very low | 36.3 | Very low | 165 Ų | 165 | 153.8 Ų | 153.8 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | 72.3 | 105.7 | -175 | -48.3 | 174.9 | 0 | 0 | 0 | 113.7 | ||||
| 96 | Q | 35.6 | Very low | 36.3 | Very low | 154 Ų | 154 | 152.1 Ų | 152.1 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | cis | 62.7 | 129 | 15 | -166.5 | 172.5 | 26.4 | 0 | 0 | 114.5 | ||||
| 97 | E | 33.4 | Very low | 35.7 | Very low | 135 Ų | 135 | 151 Ų | 151 | 63% | 0.631 | 76% | 0.756 | S | S | * | * | cis | -157.7 | 175.1 | -18 | -116.2 | 175.1 | 135.6 | 0 | 0 | 106.7 | ||||
| 98 | D | 35.7 | Very low | 35.5 | Very low | 147 Ų | 147 | 148.5 Ų | 148.5 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | trans | 116.6 | 143.3 | 165.7 | -71.9 | -28.6 | 0 | 0 | 0 | 117.4 | ||||
| 99 | R | 34.9 | Very low | 35.3 | Very low | 198 Ų | 198 | 150.2 Ų | 150.2 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | cis | -165.7 | 162.1 | -38.2 | -126.7 | -175.6 | 110.1 | 155.6 | 2.5 | 112.8 | ||||
| 100 | D | 36.1 | Very low | 35.1 | Very low | 110 Ų | 110 | 148.3 Ų | 148.3 | 59% | 0.588 | 74% | 0.743 | S | S | * | * | trans | 70 | 149.2 | 154.3 | -59.8 | -36.8 | 0 | 0 | 0 | 123.5 | ||||
| 101 | D | 35.1 | Very low | 34.7 | Very low | 141 Ų | 141 | 147.6 Ų | 147.6 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | 67.6 | 143.4 | 151.8 | -82.6 | 9 | 0 | 0 | 0 | 124.3 | ||||
| 102 | N | 33.7 | Very low | 34.8 | Very low | 119 Ų | 119 | 146.8 Ų | 146.8 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | cis | -163.7 | 157.4 | -27.6 | -142.4 | -36.7 | 0 | 0 | 0 | 114.1 | ||||
| 103 | T | 35.6 | Very low | 34.5 | Very low | 93 Ų | 93 | 145.5 Ų | 145.5 | 57% | 0.571 | 73% | 0.73 | S | S | * | * | trans | 55.1 | 127.9 | 154.4 | 51.5 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 104 | R | 33.6 | Very low | 34.1 | Very low | 227 Ų | 227 | 144.9 Ų | 144.9 | 86% | 0.857 | 73% | 0.726 | S | S | * | * | 110.3 | 132.5 | 121.1 | -97.2 | 176.7 | -92.3 | -148.2 | -7.1 | 121.9 | |||||
| 105 | Y | 31.1 | Very low | 34 | Very low | 215 Ų | 215 | 142.4 Ų | 142.4 | 84% | 0.843 | 73% | 0.728 | S | S | * | * | trans | -98.3 | 169.3 | 175.1 | -82.1 | -100.2 | 0 | 0 | 0 | 112.6 | ||||
| 106 | P | 39 | Very low | 33.7 | Very low | 111 Ų | 111 | 144.5 Ų | 144.5 | 72% | 0.721 | 73% | 0.725 | S | S | * | * | -123.8 | 132.3 | 116.4 | 4.4 | 16.8 | 0 | 0 | 0 | 111.7 | |||||
| 107 | L | 32 | Very low | 33.4 | Very low | 146 Ų | 146 | 146.6 Ų | 146.6 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | 74.1 | 135.3 | 85.4 | -74.9 | 166 | 0 | 0 | 0 | 113.4 | |||||
| 108 | M | 34.3 | Very low | 33.2 | Very low | 156 Ų | 156 | 145.7 Ų | 145.7 | 77% | 0.768 | 74% | 0.737 | S | S | * | * | cis | -148.5 | 153.2 | 21.6 | -72.4 | -162.9 | 178.1 | 0 | 0 | 115.4 | ||||
| 109 | V | 34.6 | Very low | 33.1 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 71% | 0.709 | 74% | 0.737 | S | S | * | * | trans | 64.1 | 136.6 | 133.7 | 165.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 110 | Q | 33.9 | Very low | 33 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | cis | -153.7 | 144.8 | -14.6 | -106.6 | 166.1 | -15.9 | 0 | 0 | 106.6 | ||||
| 111 | S | 31.2 | Very low | 32.6 | Very low | 99 Ų | 99 | 142.5 Ų | 142.5 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | 58.6 | 138.2 | 81.6 | -39.4 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 112 | M | 35.9 | Very low | 32.4 | Very low | 168 Ų | 168 | 142.8 Ų | 142.8 | 83% | 0.828 | 75% | 0.749 | S | S | * | * | cis | -151.1 | 172.8 | 14.2 | -14.7 | -169.3 | 66.6 | 0 | 0 | 110 | ||||
| 113 | D | 32.4 | Very low | 32.4 | Very low | 136 Ų | 136 | 144.7 Ų | 144.7 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | cis | -156 | -139.8 | -7.4 | -151.9 | -102.1 | 0 | 0 | 0 | 112.8 | ||||
| 114 | C | 28 | Very low | 32.2 | Very low | 76 Ų | 76 | 142.8 Ų | 142.8 | 51% | 0.514 | 76% | 0.757 | S | S | . | * | trans | -97.7 | 153.1 | -166.8 | -67.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 115 | S | 32.1 | Very low | 32.2 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | 165.4 | 121.1 | 115.7 | -74.8 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 116 | R | 28.7 | Very low | 32.2 | Very low | 208 Ų | 208 | 135.9 Ų | 135.9 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | cis | 94.2 | 78.6 | 24.3 | -157.4 | -150.1 | -59.3 | -145.5 | 7 | 116.2 | ||||
| 117 | K | 29.7 | Very low | 31.8 | Very low | 199 Ų | 199 | 141.9 Ų | 141.9 | 87% | 0.865 | 76% | 0.762 | S | S | * | * | -177.3 | 158.9 | 128.1 | -101.9 | 170.4 | -178.3 | -177.9 | 0 | 113.7 | |||||
| 118 | P | 29 | Very low | 31.7 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | trans | -111.3 | 165.4 | -174.4 | 41.3 | -33.5 | 0 | 0 | 0 | 115.4 | ||||
| 119 | P | 33.8 | Very low | 31.4 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | trans | -98.2 | 169.3 | 164.6 | 38.2 | -32.3 | 0 | 0 | 0 | 113.6 | ||||
| 120 | P | 32.8 | Very low | 31.1 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | trans | -121.4 | -169.3 | -157.6 | 44.5 | -32.9 | 0 | 0 | 0 | 117 | ||||
| 121 | D | 28.8 | Very low | 30.8 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | trans | -63.5 | 154.3 | -174.4 | -83.4 | -57.4 | 0 | 0 | 0 | 120.2 | ||||
| 122 | L | 31.3 | Very low | 30.6 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | trans | 66.5 | 163.2 | 137.1 | -75.9 | 163 | 0 | 0 | 0 | 123.2 | ||||
| 123 | I | 33.6 | Very low | 30.1 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 82% | 0.821 | 76% | 0.761 | S | S | * | * | trans | 71.6 | 136 | 171.9 | -52.9 | 121.1 | 0 | 0 | 0 | 115.1 | ||||
| 124 | G | 30.9 | Very low | 29.8 | Very low | 53 Ų | 53 | 135.8 Ų | 135.8 | 55% | 0.546 | 75% | 0.748 | S | S | . | * | cis | 160.7 | 143.9 | -10.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 125 | H | 33.3 | Very low | 30 | Very low | 185 Ų | 185 | 134.9 Ų | 134.9 | 86% | 0.856 | 74% | 0.741 | S | S | * | * | trans | 66.8 | 128.2 | 169.5 | -43.6 | -65.2 | 0 | 0 | 0 | 116 | ||||
| 126 | S | 31.1 | Very low | 30 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 78% | 0.783 | 72% | 0.719 | S | S | * | * | cis | 95 | 93.3 | 40.7 | -169.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 127 | R | 30.8 | Very low | 30 | Very low | 236 Ų | 236 | 127.4 Ų | 127.4 | 89% | 0.891 | 71% | 0.71 | S | S | * | * | trans | -171.2 | 115.9 | 163.5 | -95.5 | 153.5 | -177.6 | -170.3 | -0.8 | 104.7 | ||||
| 128 | S | 28.8 | Very low | 29.9 | Very low | 88 Ų | 88 | 122.3 Ų | 122.3 | 62% | 0.615 | 70% | 0.699 | S | S | * | * | cis | 94.2 | 141.8 | 48 | 80 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 129 | D | 29.1 | Very low | 30 | Very low | 155 Ų | 155 | 126.3 Ų | 126.3 | 83% | 0.829 | 70% | 0.699 | S | S | * | * | trans | 76.2 | 170.1 | 163 | -45 | -53.6 | 0 | 0 | 0 | 118.7 | ||||
| 130 | S | 28.7 | Very low | 29.8 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 71% | 0.713 | 69% | 0.691 | S | S | * | * | trans | -112.2 | 154.7 | -150.9 | 53.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 131 | C | 26.3 | Very low | 29.8 | Very low | 113 Ų | 113 | 125.2 Ų | 125.2 | 76% | 0.764 | 68% | 0.683 | S | S | * | * | trans | 78.8 | 144.9 | 164 | -59.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 132 | I | 27.3 | Very low | 29.9 | Very low | 150 Ų | 150 | 121.8 Ų | 121.8 | 77% | 0.769 | 68% | 0.681 | S | S | * | * | trans | 71.8 | 117.7 | 152 | -69.2 | 163.7 | 0 | 0 | 0 | 118.7 | ||||
| 133 | F | 25.5 | Very low | 30 | Very low | 179 Ų | 179 | 122.5 Ų | 122.5 | 79% | 0.785 | 69% | 0.685 | S | S | * | * | trans | 41 | 124.6 | 147.4 | -77.5 | -104.3 | 0 | 0 | 0 | 121.7 | ||||
| 134 | S | 27.3 | Very low | 30 | Very low | 65 Ų | 65 | 119.1 Ų | 119.1 | 46% | 0.455 | 68% | 0.675 | S | S | . | * | 88 | 162.6 | 127.3 | -72.4 | 0 | 0 | 0 | 0 | 121.1 | G514 | S134-G514 WeakPolarHBondContact CB-O 3.36Å; S134-G514 PolarHBondContact OG-O 3.22Å | |||
| 135 | P | 32.3 | Very low | 30.1 | Very low | 57 Ų | 57 | 123.6 Ų | 123.6 | 37% | 0.37 | 69% | 0.687 | S | S | . | * | cis | -148.8 | -169 | -47.5 | 43.4 | -26 | 0 | 0 | 0 | 114.9 | N515 S516 | P135-N515 WeakPolarHBondContact CG-OD1 3.35Å; P135-S516 WeakPolarHBondContact CD-OG 3.45Å | ||
| 136 | V | 31.5 | Very low | 30 | Very low | 63 Ų | 63 | 118.6 Ų | 118.6 | 38% | 0.382 | 67% | 0.673 | S | S | . | * | trans | 63.9 | 122.9 | 139.3 | 172.9 | 0 | 0 | 0 | 0 | 121.2 | K513 | V136-K513 HydrophobicContact CG2-CB 3.8Å; V136-K513 HydrophobicContact CG2-CD 3.62Å; V136-K513 HydrophobicContact CG2-CG 3.61Å | ||
| 137 | N | 27.3 | Very low | 30.1 | Very low | 109 Ų | 109 | 122.1 Ų | 122.1 | 58% | 0.583 | 67% | 0.674 | S | S | * | * | trans | 87.5 | 125.4 | 156.5 | -67.9 | -8.6 | 0 | 0 | 0 | 117.5 | K513 | N137-K513 PolarHBondContact OD1-NZ 3.28Š| ||
| 138 | S | 29.5 | Very low | 30.1 | Very low | 92 Ų | 92 | 118.1 Ų | 118.1 | 64% | 0.643 | 67% | 0.669 | S | S | * | * | cis | 80.8 | 151.3 | 34.4 | -53 | 0 | 0 | 0 | 0 | 114 | ||||
| 139 | R | 30.2 | Very low | 30.1 | Very low | 198 Ų | 198 | 118 Ų | 118 | 75% | 0.747 | 67% | 0.674 | S | S | * | * | trans | 80.1 | 138.8 | 176.3 | -49.9 | -170.7 | 95.4 | 173.6 | -3.2 | 113.5 | ||||
| 140 | E | 30 | Very low | 30.3 | Very low | 129 Ų | 129 | 114.3 Ų | 114.3 | 60% | 0.603 | 67% | 0.671 | S | S | * | * | cis | -162.3 | 174 | -7.2 | -125.9 | 165.3 | -176.8 | 0 | 0 | 114.6 | ||||
| 141 | S | 31.6 | Very low | 30.3 | Very low | 97 Ų | 97 | 116 Ų | 116 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | trans | 45.9 | 133 | 139.7 | -59.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 142 | G | 32.1 | Very low | 30.5 | Very low | 69 Ų | 69 | 117.3 Ų | 117.3 | 71% | 0.711 | 67% | 0.667 | S | S | * | * | trans | 166.5 | 62.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 143 | L | 33.6 | Very low | 30.6 | Very low | 160 Ų | 160 | 118.6 Ų | 118.6 | 84% | 0.838 | 67% | 0.668 | S | S | * | * | 60.4 | 130.5 | 85.3 | -62.2 | 173.6 | 0 | 0 | 0 | 110.9 | |||||
| 144 | S | 33.4 | Very low | 30.8 | Very low | 89 Ų | 89 | 114 Ų | 114 | 62% | 0.622 | 66% | 0.657 | S | S | * | * | cis | -161.8 | 153.2 | 18.1 | 47.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 145 | D | 32 | Very low | 30.9 | Very low | 148 Ų | 148 | 117 Ų | 117 | 79% | 0.791 | 67% | 0.669 | S | S | * | * | trans | 57.8 | 149.1 | 137.9 | -66.5 | -33.7 | 0 | 0 | 0 | 122.7 | ||||
| 146 | S | 32.5 | Very low | 30.7 | Very low | 80 Ų | 80 | 120.2 Ų | 120.2 | 56% | 0.559 | 68% | 0.683 | S | S | * | * | cis | -170 | 164.2 | -19.8 | 62.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 147 | K | 33 | Very low | 30.7 | Very low | 185 Ų | 185 | 123.6 Ų | 123.6 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | trans | 65.7 | 154.4 | 149.5 | -73.5 | 169.5 | 176.4 | 176.3 | 0 | 117.4 | ||||
| 148 | I | 30.3 | Very low | 30.8 | Very low | 152 Ų | 152 | 124.3 Ų | 124.3 | 78% | 0.779 | 70% | 0.701 | S | S | * | * | cis | -147.9 | 175 | -10 | -129.1 | 161.1 | 0 | 0 | 0 | 111.7 | ||||
| 149 | A | 29.4 | Very low | 30.8 | Very low | 87 Ų | 87 | 126.8 Ų | 126.8 | 72% | 0.719 | 70% | 0.702 | S | S | * | * | trans | -46 | 164.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 150 | G | 31.9 | Very low | 30.7 | Very low | 76 Ų | 76 | 124.8 Ų | 124.8 | 78% | 0.784 | 70% | 0.701 | S | S | * | * | trans | -164.6 | 26 | -178.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 151 | N | 29 | Very low | 30.6 | Very low | 139 Ų | 139 | 129 Ų | 129 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | trans | 34.7 | 132.8 | 156.7 | -75.9 | 7.1 | 0 | 0 | 0 | 123.8 | ||||
| 152 | H | 30.1 | Very low | 30.5 | Very low | 140 Ų | 140 | 130.8 Ų | 130.8 | 65% | 0.648 | 71% | 0.713 | S | S | * | * | 93.9 | 145.8 | 129.5 | -99.8 | -108.5 | 0 | 0 | 0 | 123.6 | |||||
| 153 | F | 30 | Very low | 30.2 | Very low | 177 Ų | 177 | 131.6 Ų | 131.6 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | trans | 65.8 | 144.4 | 160 | -60.8 | -54 | 0 | 0 | 0 | 119.4 | ||||
| 154 | S | 29.4 | Very low | 29.9 | Very low | 81 Ų | 81 | 130.8 Ų | 130.8 | 57% | 0.566 | 70% | 0.704 | S | S | * | * | cis | -171.3 | 159.9 | -28.7 | -142 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 155 | N | 29.7 | Very low | 29.5 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 70% | 0.695 | 71% | 0.71 | S | S | * | * | trans | 68.4 | 147.8 | 155.2 | -56.2 | -1.2 | 0 | 0 | 0 | 116.2 | ||||
| 156 | N | 28.6 | Very low | 29.2 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 66% | 0.663 | 71% | 0.712 | S | S | * | * | cis | -165.6 | 167.5 | -10.5 | -119.1 | -8.7 | 0 | 0 | 0 | 110.4 | ||||
| 157 | I | 31.4 | Very low | 29 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 69% | 0.687 | 72% | 0.724 | S | S | * | * | trans | 65 | 125.1 | 146.4 | -70 | 164.1 | 0 | 0 | 0 | 116.7 | ||||
| 158 | N | 29.5 | Very low | 28.7 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 66% | 0.658 | 72% | 0.723 | S | S | * | * | cis | -157.1 | 155 | 2.3 | -108.8 | 4.9 | 0 | 0 | 0 | 111.9 | ||||
| 159 | H | 28.6 | Very low | 28.6 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | trans | 30.2 | 141.5 | 137.5 | -63.7 | -118.6 | 0 | 0 | 0 | 120.3 | ||||
| 160 | E | 29.8 | Very low | 28.7 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 72% | 0.724 | 73% | 0.732 | S | S | * | * | cis | -159.7 | 153.2 | 10.6 | -118.7 | 151.8 | -161 | 0 | 0 | 108.2 | ||||
| 161 | R | 27.7 | Very low | 28.6 | Very low | 218 Ų | 218 | 140.9 Ų | 140.9 | 82% | 0.823 | 73% | 0.728 | S | S | * | * | cis | 65 | 136.4 | 49.8 | -91.5 | -168.9 | 174.3 | -164.1 | -1.1 | 112.9 | ||||
| 162 | L | 28.4 | Very low | 28.4 | Very low | 134 Ų | 134 | 140 Ų | 140 | 70% | 0.702 | 72% | 0.723 | S | S | * | * | cis | -148.8 | 143.8 | -0.3 | -80.4 | 151.5 | 0 | 0 | 0 | 106.1 | ||||
| 163 | S | 27 | Very low | 28.1 | Very low | 86 Ų | 86 | 140.1 Ų | 140.1 | 60% | 0.601 | 73% | 0.729 | S | S | * | * | 69.2 | 117.8 | 64 | 87.8 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 164 | N | 26.3 | Very low | 28 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | trans | 77.3 | 111.8 | 140.5 | -64.2 | 1.1 | 0 | 0 | 0 | 124.2 | ||||
| 165 | C | 24.4 | Very low | 27.8 | Very low | 109 Ų | 109 | 143 Ų | 143 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | 69.7 | 136.9 | 114.1 | -59.2 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 166 | R | 26.5 | Very low | 27.7 | Very low | 223 Ų | 223 | 140.4 Ų | 140.4 | 84% | 0.842 | 73% | 0.731 | S | S | * | * | trans | 85.9 | 117 | 134.6 | -84.8 | 179.4 | 175.3 | 178.2 | -1.2 | 122.9 | ||||
| 167 | N | 29.1 | Very low | 27.6 | Very low | 152 Ų | 152 | 141.8 Ų | 141.8 | 81% | 0.813 | 74% | 0.739 | S | S | * | * | 47 | 114.5 | 122.4 | -57.1 | 16.4 | 0 | 0 | 0 | 122.1 | |||||
| 168 | A | 26.2 | Very low | 27.3 | Very low | 95 Ų | 95 | 142.3 Ų | 142.3 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | 176.5 | 148.9 | 142.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 169 | Q | 27.2 | Very low | 27.3 | Very low | 186 Ų | 186 | 142.7 Ų | 142.7 | 87% | 0.869 | 74% | 0.743 | S | S | * | * | cis | -156.5 | 174.5 | -19.2 | -148.1 | 160.6 | -73 | 0 | 0 | 109.3 | ||||
| 170 | L | 32.3 | Very low | 27.4 | Very low | 154 Ų | 154 | 144.8 Ų | 144.8 | 81% | 0.806 | 75% | 0.753 | S | S | * | * | trans | -58.6 | 156.6 | 170.5 | -91.2 | 94.6 | 0 | 0 | 0 | 112.7 | ||||
| 171 | P | 30.3 | Very low | 27.3 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | -142.9 | 145.4 | 100.9 | 37.9 | -24.1 | 0 | 0 | 0 | 117 | |||||
| 172 | N | 24.7 | Very low | 27.1 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 64% | 0.642 | 75% | 0.747 | S | S | * | * | trans | 48.9 | 116.4 | 133.3 | -54.8 | -11 | 0 | 0 | 0 | 122.6 | ||||
| 173 | N | 24.2 | Very low | 27 | Very low | 143 Ų | 143 | 138.2 Ų | 138.2 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | trans | 66.5 | 174.3 | 131.4 | -54.5 | -15.7 | 0 | 0 | 0 | 118.7 | ||||
| 174 | I | 26.9 | Very low | 26.8 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | 68.6 | 114.7 | 170.2 | -55.1 | 174.1 | 0 | 0 | 0 | 113 | ||||
| 175 | E | 26 | Very low | 26.8 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | cis | -163.8 | -173.9 | -4.6 | -144.1 | 168.2 | -167.4 | 0 | 0 | 111.2 | ||||
| 176 | S | 26.2 | Very low | 26.9 | Very low | 77 Ų | 77 | 141 Ų | 141 | 54% | 0.538 | 74% | 0.744 | S | S | . | * | trans | 25.4 | 115.5 | 153.7 | 55.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 177 | N | 26 | Very low | 27 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | 69.4 | 160.7 | 69.3 | -66.3 | -40.1 | 0 | 0 | 0 | 114.8 | |||||
| 178 | I | 26.5 | Very low | 26.8 | Very low | 144 Ų | 144 | 137 Ų | 137 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | trans | 74.1 | 121 | 165.3 | -51 | 130.3 | 0 | 0 | 0 | 113.2 | ||||
| 179 | L | 28.6 | Very low | 27 | Very low | 132 Ų | 132 | 139 Ų | 139 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | cis | -120.4 | 153.4 | 5.3 | -64.5 | 92.3 | 0 | 0 | 0 | 109.1 | K181 | L179-K181 HydrophobicContact CD2-CB 4.18Å; L179-K181 HydrophobicContact CD2-CD 4.06Å; L179-K181 HydrophobicContact CD2-CG 4.41Å | ||
| 180 | Q | 31.4 | Very low | 27 | Very low | 189 Ų | 189 | 134.6 Ų | 134.6 | 88% | 0.883 | 72% | 0.717 | S | S | * | * | cis | 52.4 | 85 | 3.2 | -151.1 | -174.2 | 72 | 0 | 0 | 117.8 | ||||
| 181 | K | 26.7 | Very low | 26.8 | Very low | 168 Ų | 168 | 133.6 Ų | 133.6 | 73% | 0.73 | 71% | 0.712 | S | S | * | * | trans | 174.1 | 149.8 | 154.9 | -94.1 | 178.5 | -171.5 | 172.9 | 0 | 105.3 | L179 | L179-K181 HydrophobicContact CD2-CB 4.18Å; L179-K181 HydrophobicContact CD2-CD 4.06Å; L179-K181 HydrophobicContact CD2-CG 4.41Å | ||
| 182 | N | 24.4 | Very low | 26.8 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | cis | -147.2 | 147.1 | -11.6 | -115.2 | -6.1 | 0 | 0 | 0 | 106.6 | ||||
| 183 | A | 25.7 | Very low | 27.1 | Very low | 69 Ų | 69 | 139 Ų | 139 | 57% | 0.57 | 72% | 0.719 | S | S | * | * | 50 | 131.3 | 90.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 184 | N | 24.3 | Very low | 27.2 | Very low | 151 Ų | 151 | 135 Ų | 135 | 81% | 0.807 | 71% | 0.71 | S | S | * | * | trans | 49 | 99.1 | 158.2 | -52.8 | -12.3 | 0 | 0 | 0 | 116.9 | ||||
| 185 | E | 26.3 | Very low | 27.1 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | -162.4 | 125.2 | 100.8 | -94.9 | -170.6 | 146.2 | 0 | 0 | 108.5 | K187 | E185-K187 IonicContact OE1-NZ 3.97Š| |||
| 186 | S | 25.1 | Very low | 27.1 | Very low | 84 Ų | 84 | 134.2 Ų | 134.2 | 59% | 0.587 | 71% | 0.709 | S | S | * | * | 83.7 | 137.6 | 61.8 | -69 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 187 | K | 28.1 | Very low | 27 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 67% | 0.665 | 72% | 0.72 | S | S | * | * | trans | 65.8 | 108.7 | 154 | -62 | 151.3 | -166.7 | 165.3 | 0 | 116.4 | E185 | E185-K187 IonicContact OE1-NZ 3.97Š| ||
| 188 | N | 26.6 | Very low | 26.9 | Very low | 137 Ų | 137 | 137.4 Ų | 137.4 | 73% | 0.733 | 70% | 0.704 | S | S | * | * | 80.3 | 152.4 | 117.8 | -62.2 | -9.2 | 0 | 0 | 0 | 117.8 | |||||
| 189 | L | 28.7 | Very low | 26.8 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 72% | 0.717 | 68% | 0.683 | S | S | * | * | cis | -137.5 | 125 | 7.9 | -148.5 | 57 | 0 | 0 | 0 | 107.6 | ||||
| 190 | C | 27.4 | Very low | 26.7 | Very low | 94 Ų | 94 | 131.4 Ų | 131.4 | 64% | 0.635 | 69% | 0.688 | S | S | * | * | 65.3 | 154.9 | 116.9 | -73.8 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 191 | L | 29.2 | Very low | 26.4 | Very low | 133 Ų | 133 | 129.6 Ų | 129.6 | 70% | 0.696 | 68% | 0.684 | S | S | * | * | cis | -153.2 | 168.9 | -8.8 | -77.7 | 131.4 | 0 | 0 | 0 | 104.3 | ||||
| 192 | K | 30.8 | Very low | 26.5 | Very low | 168 Ų | 168 | 129.5 Ų | 129.5 | 73% | 0.73 | 69% | 0.687 | S | S | * | * | cis | -169.9 | 151.7 | -14.5 | -101.5 | 174.7 | 178.2 | 157.2 | 0 | 101.9 | ||||
| 193 | K | 30.1 | Very low | 26.7 | Very low | 175 Ų | 175 | 127.7 Ų | 127.7 | 76% | 0.761 | 68% | 0.68 | S | S | * | * | cis | -156.6 | 152.4 | -1.8 | -98.5 | 166.9 | 167.9 | -168.5 | 0 | 102.9 | ||||
| 194 | G | 26.5 | Very low | 26.8 | Very low | 57 Ų | 57 | 129 Ų | 129 | 59% | 0.588 | 69% | 0.685 | S | S | * | * | cis | 113.1 | 137 | 15.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 195 | F | 25.5 | Very low | 26.9 | Very low | 176 Ų | 176 | 127.2 Ų | 127.2 | 77% | 0.772 | 67% | 0.672 | S | S | * | * | trans | 72.9 | 120.7 | 178.7 | -54 | -77.1 | 0 | 0 | 0 | 113.6 | Y197 | F195-Y197 HydrophobicContact CD1-CD2 4.49Š| ||
| 196 | V | 24.8 | Very low | 27 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 76% | 0.764 | 67% | 0.669 | S | S | * | * | cis | 64.4 | 143.7 | 14 | -170.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 197 | Y | 24 | Very low | 27.1 | Very low | 194 Ų | 194 | 127 Ų | 127 | 76% | 0.761 | 67% | 0.673 | S | S | * | * | trans | 85.2 | 143.9 | -167.3 | -69.8 | -99.4 | 0 | 0 | 0 | 115 | F195 | F195-Y197 HydrophobicContact CD1-CD2 4.49Š| ||
| 198 | Q | 24.5 | Very low | 27 | Very low | 104 Ų | 104 | 127.6 Ų | 127.6 | 49% | 0.486 | 68% | 0.676 | S | S | . | * | cis | 177.8 | 148 | -31.8 | 157.6 | 161.8 | -1.6 | 0 | 0 | 107.5 | S907 | Q198-S907 PolarHBondContact NE2-OG 3.03Š| ||
| 199 | A | 23.9 | Very low | 27 | Very low | 36 Ų | 36 | 127.1 Ų | 127.1 | 30% | 0.298 | 67% | 0.674 | S | S | . | * | trans | 63.6 | 169 | 164.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | S906 | A199-S906 PolarHBondContact N-OG 3.42Š| ||
| 200 | S | 26.7 | Very low | 26.9 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 80% | 0.797 | 68% | 0.675 | S | S | * | * | trans | 80.1 | 114.5 | 164.3 | -54.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 201 | N | 25.6 | Very low | 26.9 | Very low | 150 Ų | 150 | 126.9 Ų | 126.9 | 80% | 0.802 | 67% | 0.667 | S | S | * | * | trans | -43.4 | 158.4 | 147.1 | -48.5 | -22.1 | 0 | 0 | 0 | 109.9 | ||||
| 202 | E | 28.1 | Very low | 26.8 | Very low | 167 Ų | 167 | 123.3 Ų | 123.3 | 78% | 0.78 | 66% | 0.656 | S | S | * | * | -151.4 | 175.1 | 51.1 | -73.7 | 179.4 | 154.5 | 0 | 0 | 114.2 | |||||
| 203 | T | 29 | Very low | 26.6 | Very low | 92 Ų | 92 | 119.3 Ų | 119.3 | 56% | 0.564 | 65% | 0.65 | S | S | * | * | trans | -68.4 | 128.9 | -176.3 | 45.4 | 0 | 0 | 0 | 0 | 115.3 | I901 | T203-I901 HydrophobicContact CG2-CG2 3.92Š| ||
| 204 | S | 27.7 | Very low | 26.5 | Very low | 97 Ų | 97 | 116.6 Ų | 116.6 | 68% | 0.678 | 64% | 0.64 | S | S | * | * | trans | -177 | 118 | 134.3 | 23.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 205 | E | 26 | Very low | 26.5 | Very low | 114 Ų | 114 | 120 Ų | 120 | 53% | 0.533 | 64% | 0.64 | S | S | . | * | 74 | 157.5 | 67.6 | -69.2 | -101.1 | 124.8 | 0 | 0 | 113.4 | I901 | E205-I901 HydrophobicContact CG-CD1 3.83Š| |||
| 206 | V | 29 | Very low | 26.4 | Very low | 115 Ų | 115 | 116.6 Ų | 116.6 | 70% | 0.697 | 63% | 0.626 | S | S | * | * | trans | 77.6 | 72.8 | 175.9 | -162.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 207 | D | 26.2 | Very low | 26.4 | Very low | 127 Ų | 127 | 114 Ų | 114 | 68% | 0.679 | 61% | 0.61 | S | S | * | * | 73.1 | 161.7 | 118.2 | -59.4 | -30.4 | 0 | 0 | 0 | 125 | |||||
| 208 | F | 27.6 | Very low | 26.4 | Very low | 166 Ų | 166 | 109.4 Ų | 109.4 | 73% | 0.728 | 61% | 0.606 | S | S | * | * | trans | 70 | 102.2 | 156.6 | -60.4 | -58.6 | 0 | 0 | 0 | 121 | ||||
| 209 | N | 26.6 | Very low | 26.4 | Very low | 127 Ų | 127 | 113.5 Ų | 113.5 | 68% | 0.679 | 63% | 0.625 | S | S | * | * | 32.3 | 113.3 | 112.7 | -58.6 | -15.7 | 0 | 0 | 0 | 116.2 | |||||
| 210 | N | 26.1 | Very low | 26.4 | Very low | 139 Ų | 139 | 117.3 Ų | 117.3 | 74% | 0.743 | 65% | 0.65 | S | S | * | * | -175.3 | 161.9 | 73.3 | -94.8 | -41.8 | 0 | 0 | 0 | 113.4 | |||||
| 211 | D | 26.8 | Very low | 26.4 | Very low | 87 Ų | 87 | 121.3 Ų | 121.3 | 47% | 0.465 | 66% | 0.656 | S | S | . | * | trans | 37.4 | 89 | 144.4 | -68 | -24.4 | 0 | 0 | 0 | 119.5 | N1328 N1329 | D211-N1328 PolarHBondContact O-ND2 3.5Å; D211-N1328 PolarHBondContact O-OD1 3.1Å; D211-N1329 PolarHBondContact OD2-ND2 3.12Å | ||
| 212 | A | 27 | Very low | 26.4 | Very low | 58 Ų | 58 | 117.3 Ų | 117.3 | 48% | 0.479 | 65% | 0.65 | S | S | . | * | trans | 37.3 | 129.5 | 132 | 0 | 0 | 0 | 0 | 0 | 122.2 | S1327 N1328 | A212-S1327 WeakPolarHBondContact O-CB 3.28Å; A212-S1327 PolarHBondContact O-OG 3.18Å; A212-N1328 WeakPolarHBondContact CB-OD1 3.46Å; A212-N1328 VanDerWaalsContact O-CG 3.24Å; A212-N1328 PolarHBondContact O-ND2 3.29Å; A212-N1328 PolarHBondContact O-OD1 3.07Å | ||
| 213 | S | 26.7 | Very low | 26.1 | Very low | 85 Ų | 85 | 113.8 Ų | 113.8 | 59% | 0.594 | 64% | 0.644 | S | S | * | * | -152.6 | 140.1 | 127.1 | -150 | 0 | 0 | 0 | 0 | 108.9 | S1327 | S213-S1327 WeakPolarHBondContact CB-OG 3.4Å; S213-S1327 VanDerWaalsContact OG-CB 3.23Å; S213-S1327 WeakPolarHBondContact OG-CB 3.27Å; S213-S1327 PolarHBondContact OG-OG 2.83Å | |||
| 214 | Q | 27.8 | Very low | 26 | Very low | 117 Ų | 117 | 114.8 Ų | 114.8 | 55% | 0.547 | 65% | 0.649 | S | S | . | * | B | Isolated β-bridge | trans | -139.7 | 67.7 | -160.3 | 67.7 | 105.2 | 12.5 | 0 | 0 | 113.6 | F216 A1325 N1326 | Q214-F216 VanDerWaalsContact C-N 3.27Å; Q214-F216 PolarHBondContact O-N 3.3Å; Q214-A1325 CarbonylContact C-O 3.59Å; Q214-A1325 PolarHBondContact N-O 3.42Å; Q214-N1326 HydrophobicContact CG-CB 4.21Å; Q214-N1326 WeakPolarHBondContact CG-ND2 3.49Å |
| 215 | Q | 26.5 | Very low | 25.8 | Very low | 129 Ų | 129 | 115.2 Ų | 115.2 | 60% | 0.603 | 64% | 0.641 | S | S | * | * | trans | -72.7 | 70.3 | -170.3 | -161.6 | 59.7 | 18.1 | 0 | 0 | 111.4 | S1324 A1325 | Q215-S1324 VanDerWaalsContact CD-C 3.41Å; Q215-S1324 PolarHBondContact NE2-O 3.25Å; Q215-S1324 VanDerWaalsContact O-CB 3.22Å; Q215-S1324 WeakPolarHBondContact O-CB 3.19Å; Q215-S1324 PolarHBondContact O-OG 3.43Å; Q215-S1324 VanDerWaalsContact OE1-C 3.25Å; Q215-S1324 PolarHBondContact OE1-O 3.46Å; Q215-A1325 PolarHBondContact N-O 2.77Å | ||
| 216 | F | 24.3 | Very low | 25.9 | Very low | 105 Ų | 105 | 119.6 Ų | 119.6 | 46% | 0.461 | 65% | 0.654 | S | S | . | * | trans | 14.9 | 154.7 | 177.8 | -51.9 | 171.9 | 0 | 0 | 0 | 120.2 | Q214 S1324 A1325 | Q214-F216 VanDerWaalsContact C-N 3.27Å; Q214-F216 PolarHBondContact O-N 3.3Å; F216-S1324 WeakPolarHBondContact CB-OG 3.39Å; F216-S1324 PolarHBondContact N-OG 2.77Å; F216-S1324 PolarHBondContact O-OG 3.47Å; F216-S1324 VanDerWaalsContact O-OG 3.12Å; F216-A1325 HydrophobicContact CD2-CB 4.39Å; F216-A1325 HydrophobicContact CE2-CB 3.66Å; F216-A1325 HydrophobicContact CZ-CB 4.32Å | ||
| 217 | T | 24.7 | Very low | 25.7 | Very low | 72 Ų | 72 | 120.8 Ų | 120.8 | 44% | 0.442 | 66% | 0.656 | S | S | . | * | 141.1 | 144 | 99.2 | -23.3 | 0 | 0 | 0 | 0 | 114.6 | N1323 | T217-N1323 WeakPolarHBondContact OG1-CA 3.31Å; T217-N1323 WeakPolarHBondContact OG1-CB 3.45Å; T217-N1323 PolarHBondContact OG1-ND2 3.27Å; T217-N1323 PolarHBondContact OG1-OD1 3.4Å | |||
| 218 | S | 23.7 | Very low | 25.8 | Very low | 96 Ų | 96 | 118.8 Ų | 118.8 | 67% | 0.671 | 66% | 0.657 | S | S | * | * | trans | 50.5 | 74.1 | 148.8 | 62.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 219 | E | 24.4 | Very low | 25.9 | Very low | 190 Ų | 190 | 116.6 Ų | 116.6 | 89% | 0.888 | 66% | 0.662 | S | S | * | * | trans | -148.7 | 160.4 | 134.3 | -121.2 | 159.6 | -151.4 | 0 | 0 | 112.4 | Q221 | E219-Q221 PolarHBondContact O-N 2.98Š| ||
| 220 | S | 24.9 | Very low | 26.1 | Very low | 116 Ų | 116 | 114.7 Ų | 114.7 | 81% | 0.811 | 67% | 0.673 | S | S | * | * | trans | -49.6 | 106.2 | -165.1 | 48.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 221 | Q | 25.5 | Very low | 26.4 | Very low | 199 Ų | 199 | 113.2 Ų | 113.2 | 93% | 0.93 | 67% | 0.673 | S | S | * | * | trans | -91.6 | 139.4 | 148.4 | -65.8 | -173.4 | -4.9 | 0 | 0 | 109.3 | E219 | E219-Q221 PolarHBondContact O-N 2.98Š| ||
| 222 | G | 25 | Very low | 27.2 | Very low | 66 Ų | 66 | 113.6 Ų | 113.6 | 68% | 0.68 | 68% | 0.679 | S | S | * | * | cis | 140.1 | 107.3 | 4.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | V224 | G222-V224 PolarHBondContact O-N 2.7Š| ||
| 223 | S | 23.2 | Very low | 28.4 | Very low | 93 Ų | 93 | 113.7 Ų | 113.7 | 65% | 0.65 | 68% | 0.676 | S | S | * | * | trans | -76.4 | 119.7 | -166.5 | 63.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 224 | V | 25.5 | Very low | 30.3 | Very low | 112 Ų | 112 | 118.5 Ų | 118.5 | 68% | 0.679 | 68% | 0.681 | S | S | * | * | trans | -96 | 98.5 | 159.2 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | G222 Y226 | G222-V224 PolarHBondContact O-N 2.7Å; V224-Y226 HydrophobicContact CB-CE2 4.38Å; V224-Y226 HydrophobicContact CG1-CD2 3.96Å; V224-Y226 HydrophobicContact CG1-CE2 3.56Å; V224-Y226 PolarHBondContact O-N 2.83Å; V224-Y226 VanDerWaalsContact O-N 3.16Å | ||
| 225 | H | 24.1 | Very low | 31.6 | Very low | 106 Ų | 106 | 114.7 Ų | 114.7 | 49% | 0.491 | 66% | 0.664 | S | S | . | * | trans | -74.6 | 98.4 | 177.5 | -113.9 | -90.2 | 0 | 0 | 0 | 110.5 | N227 I982 | H225-N227 PolarHBondContact ND1-OD1 2.79Å; H225-N227 PolarHBondContact O-N 3.15Å; H225-I982 VanDerWaalsContact NE2-CD1 3.34Å; H225-I982 WeakPolarHBondContact NE2-CD1 3.35Å | ||
| 226 | Y | 27.5 | Very low | 33.2 | Very low | 206 Ų | 206 | 112.6 Ų | 112.6 | 81% | 0.808 | 65% | 0.654 | S | S | * | * | trans | -76.6 | 70.5 | 167 | -78.1 | -80 | 0 | 0 | 0 | 110.8 | V224 A228 | V224-Y226 HydrophobicContact CB-CE2 4.38Å; V224-Y226 HydrophobicContact CG1-CD2 3.96Å; V224-Y226 HydrophobicContact CG1-CE2 3.56Å; V224-Y226 PolarHBondContact O-N 2.83Å; V224-Y226 VanDerWaalsContact O-N 3.16Å; Y226-A228 VanDerWaalsContact C-N 3.27Å; Y226-A228 PolarHBondContact O-N 3.27Å | ||
| 227 | N | 25.2 | Very low | 35.2 | Very low | 141 Ų | 141 | 110.2 Ų | 110.2 | 75% | 0.754 | 65% | 0.645 | S | S | * | * | trans | -75 | 79.5 | 169 | -74.8 | 1.9 | 0 | 0 | 0 | 109.5 | H225 | H225-N227 PolarHBondContact ND1-OD1 2.79Å; H225-N227 PolarHBondContact O-N 3.15Å | ||
| 228 | A | 28.4 | Very low | 36.9 | Very low | 85 Ų | 85 | 109.9 Ų | 109.9 | 70% | 0.702 | 64% | 0.64 | S | S | * | * | trans | -133.9 | 145.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y226 | Y226-A228 VanDerWaalsContact C-N 3.27Å; Y226-A228 PolarHBondContact O-N 3.27Å | ||
| 229 | S | 29.4 | Very low | 38.9 | Very low | 119 Ų | 119 | 107.3 Ų | 107.3 | 83% | 0.832 | 62% | 0.618 | S | S | * | * | trans | -61.5 | 129.7 | -165.7 | -62.9 | 0 | 0 | 0 | 0 | 116.4 | S231 | S229-S231 PolarHBondContact O-N 3.03Š| ||
| 230 | G | 31.4 | Very low | 40.8 | Very low | 87 Ų | 87 | 103.4 Ų | 103.4 | 90% | 0.897 | 60% | 0.6 | S | S | * | * | S | Bend | 81.3 | -8.2 | 105.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||
| 231 | S | 32.9 | Very low | 42.7 | Very low | 108 Ų | 108 | 105.6 Ų | 105.6 | 76% | 0.755 | 59% | 0.591 | S | S | * | * | trans | -146.8 | 112 | 170.2 | 64.9 | 0 | 0 | 0 | 0 | 113.8 | S229 | S229-S231 PolarHBondContact O-N 3.03Š| ||
| 232 | T | 42.9 | Very low | 44.5 | Very low | 96 Ų | 96 | 97 Ų | 97 | 59% | 0.589 | 55% | 0.553 | S | S | * | * | trans | -103.1 | 121.4 | 162.9 | 47.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 233 | S | 53.1 | Low | 45.9 | Very low | 60 Ų | 60 | 100.5 Ų | 100.5 | 42% | 0.42 | 57% | 0.565 | S | S | . | * | trans | -59.3 | 141.2 | 173.8 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | M235 H236 M237 | S233-M235 PolarHBondContact O-N 2.86Å; S233-M235 VanDerWaalsContact O-N 3.13Å; S233-M235 WeakPolarHBondContact OG-CB 3.13Å; S233-M235 PolarHBondContact OG-N 3.16Å; S233-H236 WeakPolarHBondContact O-CA 3.49Å; S233-H236 WeakPolarHBondContact O-CB 3.29Å; S233-H236 PolarHBondContact O-N 3.12Å; S233-M237 PolarHBondContact O-N 3.02Å | ||
| 234 | W | 65.7 | Low | 47.8 | Very low | 185 Ų | 185 | 99.6 Ų | 99.6 | 70% | 0.701 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -53.3 | -31.9 | 171.3 | 171.1 | 29.7 | 0 | 0 | 0 | 111.8 | M237 L238 | W234-M237 PolarHBondContact O-N 3.02Å; W234-L238 HydrophobicContact CZ2-CD1 4.35Å; W234-L238 WeakPolarHBondContact O-CG 3.33Å; W234-L238 PolarHBondContact O-N 3.43Å |
| 235 | M | 55.6 | Low | 50.1 | Low | 37 Ų | 37 | 99 Ų | 99 | 18% | 0.182 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -60.6 | -45 | 172.8 | -161.8 | 85.9 | 149.8 | 0 | 0 | 111.9 | S233 L238 M239 I251 T254 A255 Y260 | S233-M235 PolarHBondContact O-N 2.86Å; S233-M235 VanDerWaalsContact O-N 3.13Å; S233-M235 WeakPolarHBondContact OG-CB 3.13Å; S233-M235 PolarHBondContact OG-N 3.16Å; M235-L238 WeakPolarHBondContact O-CB 3.42Å; M235-L238 PolarHBondContact O-N 3.21Å; M235-M239 HydrophobicContact CG-CE 4.48Å; M235-M239 WeakPolarHBondContact O-CG 3.17Å; M235-M239 PolarHBondContact O-N 2.8Å; M235-I251 HydrophobicContact CE-CG2 3.81Å; M235-I251 HydrophobicContact CG-CG2 3.98Å; M235-I251 HydrophobicContact SD-CG2 3.85Å; M235-T254 HydrophobicContact CE-CG2 4Å; M235-A255 HydrophobicContact CE-CB 3.99Å; M235-Y260 WeakPolarHBondContact CB-OH 3.46Å; M235-Y260 VanDerWaalsContact CG-OH 3.29Å; M235-Y260 WeakPolarHBondContact CG-OH 3.26Å |
| 236 | H | 60.9 | Low | 52 | Low | 86 Ų | 86 | 101.4 Ų | 101.4 | 40% | 0.398 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.1 | -46.9 | 176 | -162.8 | -84.4 | 0 | 0 | 0 | 110.8 | S233 L238 M239 E240 | S233-H236 WeakPolarHBondContact O-CA 3.49Å; S233-H236 WeakPolarHBondContact O-CB 3.29Å; S233-H236 PolarHBondContact O-N 3.12Å; H236-L238 PolarHBondContact O-N 3.22Å; H236-M239 HydrophobicContact CB-CE 4.42Å; H236-M239 CarbonylContact O-C 3.54Å; H236-M239 PolarHBondContact O-N 3.01Å; H236-E240 IonicContact CE1-OE1 3.71Å; H236-E240 PolarHBondContact CE1-OE1 3.2Å; H236-E240 VanDerWaalsContact CE1-OE1 3.31Å; H236-E240 IonicContact CE1-OE2 3.31Å; H236-E240 IonicContact ND1-OE1 3.84Å; H236-E240 IonicContact ND1-OE2 3.54Å; H236-E240 PolarHBondContact ND1-OE2 2.86Å; H236-E240 WeakPolarHBondContact O-CG 3.46Å; H236-E240 PolarHBondContact O-N 3.26Å |
| 237 | M | 64.9 | Low | 53.7 | Low | 55 Ų | 55 | 95.1 Ų | 95.1 | 27% | 0.271 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.3 | -27.9 | 178.7 | -159.2 | -176.7 | -62.3 | 0 | 0 | 113.1 | S233 W234 R241 | S233-M237 PolarHBondContact O-N 3.02Å; W234-M237 PolarHBondContact O-N 3.02Å; M237-R241 WeakPolarHBondContact O-CB 3.48Å; M237-R241 WeakPolarHBondContact O-CG 3.4Å; M237-R241 PolarHBondContact O-N 2.93Å |
| 238 | L | 60.1 | Low | 55.9 | Low | 65 Ų | 65 | 93.9 Ų | 93.9 | 34% | 0.34 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -74.7 | -47.2 | 168.7 | -78.5 | 170.2 | 0 | 0 | 0 | 112 | W234 M235 H236 E240 R241 S242 I251 | W234-L238 HydrophobicContact CZ2-CD1 4.35Å; W234-L238 WeakPolarHBondContact O-CG 3.33Å; W234-L238 PolarHBondContact O-N 3.43Å; M235-L238 WeakPolarHBondContact O-CB 3.42Å; M235-L238 PolarHBondContact O-N 3.21Å; H236-L238 PolarHBondContact O-N 3.22Å; L238-E240 PolarHBondContact O-N 2.91Å; L238-R241 PolarHBondContact O-N 3.28Å; L238-S242 VanDerWaalsContact O-CB 3.32Å; L238-S242 WeakPolarHBondContact O-CB 3.44Å; L238-S242 PolarHBondContact O-N 2.86Å; L238-S242 PolarHBondContact O-OG 3.36Å; L238-I251 HydrophobicContact CB-CD1 4.19Å |
| 239 | M | 65.5 | Low | 57.9 | Low | 42 Ų | 42 | 91.7 Ų | 91.7 | 21% | 0.207 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -59.1 | -34.5 | 177.3 | -71.3 | -173.5 | -63 | 0 | 0 | 112.3 | M235 H236 R248 I251 N252 | M235-M239 HydrophobicContact CG-CE 4.48Å; M235-M239 WeakPolarHBondContact O-CG 3.17Å; M235-M239 PolarHBondContact O-N 2.8Å; H236-M239 HydrophobicContact CB-CE 4.42Å; H236-M239 CarbonylContact O-C 3.54Å; H236-M239 PolarHBondContact O-N 3.01Å; M239-R248 PolarHBondContact O-NE 2.74Å; M239-R248 PolarHBondContact O-NH2 2.81Å; M239-I251 HydrophobicContact CG-CB 4.34Å; M239-I251 HydrophobicContact CG-CG2 3.41Å; M239-I251 VanDerWaalsContact CG-CG2 3.41Å; M239-I251 HydrophobicContact SD-CG2 3.95Å; M239-N252 PolarHBondContact SD-OD1 3.3Å; M239-N252 VanDerWaalsContact SD-OD1 3.38Å |
| 240 | E | 65.6 | Low | 59.8 | Low | 108 Ų | 108 | 91 Ų | 91 | 51% | 0.505 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -75 | -38.6 | 176.3 | -70.2 | 173.6 | 120.8 | 0 | 0 | 113 | H236 L238 | H236-E240 IonicContact CE1-OE1 3.71Å; H236-E240 PolarHBondContact CE1-OE1 3.2Å; H236-E240 VanDerWaalsContact CE1-OE1 3.31Å; H236-E240 IonicContact CE1-OE2 3.31Å; H236-E240 IonicContact ND1-OE1 3.84Å; H236-E240 IonicContact ND1-OE2 3.54Å; H236-E240 PolarHBondContact ND1-OE2 2.86Å; H236-E240 WeakPolarHBondContact O-CG 3.46Å; H236-E240 PolarHBondContact O-N 3.26Å; L238-E240 PolarHBondContact O-N 2.91Å |
| 241 | R | 65.1 | Low | 61.6 | Low | 162 Ų | 162 | 87.7 Ų | 87.7 | 61% | 0.611 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -96.8 | -6.3 | -171.8 | -69.1 | -179.9 | 157.7 | 88.4 | -3.8 | 115.2 | M237 L238 C243 | M237-R241 WeakPolarHBondContact O-CB 3.48Å; M237-R241 WeakPolarHBondContact O-CG 3.4Å; M237-R241 PolarHBondContact O-N 2.93Å; L238-R241 PolarHBondContact O-N 3.28Å; R241-C243 PolarHBondContact O-N 3.01Å |
| 242 | S | 62.2 | Low | 63.2 | Low | 19 Ų | 19 | 86.6 Ų | 86.6 | 13% | 0.133 | 44% | 0.443 | C | S | . | . | trans | -78.5 | 107.2 | -179.3 | 68.2 | 0 | 0 | 0 | 0 | 112.9 | L238 N244 | L238-S242 VanDerWaalsContact O-CB 3.32Å; L238-S242 WeakPolarHBondContact O-CB 3.44Å; L238-S242 PolarHBondContact O-N 2.86Å; L238-S242 PolarHBondContact O-OG 3.36Å; S242-N244 PolarHBondContact O-N 3.07Å | ||
| 243 | C | 54.9 | Low | 64.3 | Low | 138 Ų | 138 | 90.8 Ų | 90.8 | 93% | 0.932 | 45% | 0.448 | S | S | * | . | trans | -72.5 | -0.9 | 173.5 | -51 | 0 | 0 | 0 | 0 | 114.6 | R241 | R241-C243 PolarHBondContact O-N 3.01Š| ||
| 244 | N | 63.9 | Low | 64.8 | Low | 75 Ų | 75 | 90.9 Ų | 90.9 | 40% | 0.401 | 45% | 0.446 | S | S | . | . | trans | -101.6 | 117.8 | 179.3 | 177.9 | -11.2 | 0 | 0 | 0 | 110.2 | S242 E246 L247 R248 | S242-N244 PolarHBondContact O-N 3.07Å; N244-E246 PolarHBondContact O-N 3.39Å; N244-E246 WeakPolarHBondContact OD1-CB 3.16Å; N244-E246 PolarHBondContact OD1-N 2.9Å; N244-L247 HydrophobicContact CB-CB 3.96Å; N244-L247 PolarHBondContact O-N 3.39Å; N244-L247 PolarHBondContact OD1-N 3.47Å; N244-R248 PolarHBondContact O-N 3.36Å | ||
| 245 | P | 73 | Confident | 64.3 | Low | 98 Ų | 98 | 83.2 Ų | 83.2 | 64% | 0.636 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -67.8 | -30.4 | -178.6 | 28.4 | -35.2 | 0 | 0 | 0 | 113.7 | R248 A249 | P245-R248 PolarHBondContact O-N 3.37Å; P245-A249 WeakPolarHBondContact O-CB 3.31Å; P245-A249 PolarHBondContact O-N 3.44Å |
| 246 | E | 63.3 | Low | 64.4 | Low | 157 Ų | 157 | 85.4 Ų | 85.4 | 73% | 0.734 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -69.3 | -40.6 | 176.2 | -63.2 | -170.5 | 141.9 | 0 | 0 | 111.3 | N244 R248 A249 L250 | N244-E246 PolarHBondContact O-N 3.39Å; N244-E246 WeakPolarHBondContact OD1-CB 3.16Å; N244-E246 PolarHBondContact OD1-N 2.9Å; E246-R248 VanDerWaalsContact C-N 3.34Å; E246-A249 PolarHBondContact O-N 3.18Å; E246-L250 WeakPolarHBondContact O-CB 3.39Å; E246-L250 PolarHBondContact O-N 3.19Å |
| 247 | L | 64.3 | Low | 64.1 | Low | 74 Ų | 74 | 85.5 Ų | 85.5 | 39% | 0.387 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 174.5 | -178 | 60.5 | 0 | 0 | 0 | 110.6 | N244 L250 I251 | N244-L247 HydrophobicContact CB-CB 3.96Å; N244-L247 PolarHBondContact O-N 3.39Å; N244-L247 PolarHBondContact OD1-N 3.47Å; L247-L250 PolarHBondContact O-N 3.38Å; L247-I251 HydrophobicContact CD1-CD1 3.93Å; L247-I251 HydrophobicContact CD1-CG1 4.21Å; L247-I251 HydrophobicContact CG-CD1 3.86Å; L247-I251 HydrophobicContact CG-CG1 4.5Å; L247-I251 WeakPolarHBondContact O-CB 3.27Å; L247-I251 VanDerWaalsContact O-CG1 3.26Å; L247-I251 WeakPolarHBondContact O-CG1 3.46Å; L247-I251 PolarHBondContact O-N 3.5Å |
| 248 | R | 71.8 | Confident | 63.5 | Low | 116 Ų | 116 | 86.7 Ų | 86.7 | 44% | 0.438 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 174.7 | -142.6 | 174.9 | -159.8 | -166 | 3.9 | 111.3 | M239 N244 P245 E246 L250 I251 N252 | M239-R248 PolarHBondContact O-NE 2.74Å; M239-R248 PolarHBondContact O-NH2 2.81Å; N244-R248 PolarHBondContact O-N 3.36Å; P245-R248 PolarHBondContact O-N 3.37Å; E246-R248 VanDerWaalsContact C-N 3.34Å; R248-L250 PolarHBondContact O-N 3.03Å; R248-I251 PolarHBondContact O-N 3.36Å; R248-N252 WeakPolarHBondContact O-CB 3.21Å; R248-N252 PolarHBondContact O-N 3.46Å; R248-N252 PolarHBondContact O-OD1 3.49Å; R248-N252 VanDerWaalsContact O-OD1 3.09Å |
| 249 | A | 70 | Confident | 62.9 | Low | 39 Ų | 39 | 87.7 Ų | 87.7 | 32% | 0.322 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.7 | -34.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | P245 E246 R253 | P245-A249 WeakPolarHBondContact O-CB 3.31Å; P245-A249 PolarHBondContact O-N 3.44Å; E246-A249 PolarHBondContact O-N 3.18Å; A249-R253 WeakPolarHBondContact O-CB 3.47Å; A249-R253 VanDerWaalsContact O-CG 3.3Å; A249-R253 WeakPolarHBondContact O-CG 3.47Å; A249-R253 PolarHBondContact O-N 2.94Å |
| 250 | L | 69.8 | Low | 61.4 | Low | 103 Ų | 103 | 90.1 Ų | 90.1 | 54% | 0.539 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.5 | -46 | 174.3 | -179.9 | 63.9 | 0 | 0 | 0 | 111.5 | E246 L247 R248 R253 T254 | E246-L250 WeakPolarHBondContact O-CB 3.39Å; E246-L250 PolarHBondContact O-N 3.19Å; L247-L250 PolarHBondContact O-N 3.38Å; R248-L250 PolarHBondContact O-N 3.03Å; L250-R253 PolarHBondContact O-N 3.02Å; L250-T254 PolarHBondContact O-N 2.84Å; L250-T254 PolarHBondContact O-OG1 2.92Å |
| 251 | I | 69.1 | Low | 60.4 | Low | 18 Ų | 18 | 92.9 Ų | 92.9 | 9% | 0.092 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 177.5 | -67.2 | 171.1 | 0 | 0 | 0 | 110.1 | M235 L238 M239 L247 R248 R253 T254 A255 | M235-I251 HydrophobicContact CE-CG2 3.81Å; M235-I251 HydrophobicContact CG-CG2 3.98Å; M235-I251 HydrophobicContact SD-CG2 3.85Å; L238-I251 HydrophobicContact CB-CD1 4.19Å; M239-I251 HydrophobicContact CG-CB 4.34Å; M239-I251 HydrophobicContact CG-CG2 3.41Å; M239-I251 VanDerWaalsContact CG-CG2 3.41Å; M239-I251 HydrophobicContact SD-CG2 3.95Å; L247-I251 HydrophobicContact CD1-CD1 3.93Å; L247-I251 HydrophobicContact CD1-CG1 4.21Å; L247-I251 HydrophobicContact CG-CD1 3.86Å; L247-I251 HydrophobicContact CG-CG1 4.5Å; L247-I251 WeakPolarHBondContact O-CB 3.27Å; L247-I251 VanDerWaalsContact O-CG1 3.26Å; L247-I251 WeakPolarHBondContact O-CG1 3.46Å; L247-I251 PolarHBondContact O-N 3.5Å; R248-I251 PolarHBondContact O-N 3.36Å; I251-R253 PolarHBondContact O-N 3.05Å; I251-T254 CarbonylContact O-C 3.32Å; I251-T254 WeakPolarHBondContact O-CB 3.24Å; I251-T254 PolarHBondContact O-N 3.38Å; I251-T254 VanDerWaalsContact O-N 3.13Å; I251-A255 WeakPolarHBondContact O-CB 3.38Å; I251-A255 PolarHBondContact O-N 2.59Å |
| 252 | N | 66.4 | Low | 59.3 | Low | 85 Ų | 85 | 92.2 Ų | 92.2 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 174.3 | -72 | 14.5 | 0 | 0 | 0 | 112.3 | M239 R248 T254 A255 A256 | M239-N252 PolarHBondContact SD-OD1 3.3Å; M239-N252 VanDerWaalsContact SD-OD1 3.38Å; R248-N252 WeakPolarHBondContact O-CB 3.21Å; R248-N252 PolarHBondContact O-N 3.46Å; R248-N252 PolarHBondContact O-OD1 3.49Å; R248-N252 VanDerWaalsContact O-OD1 3.09Å; N252-T254 VanDerWaalsContact C-N 3.34Å; N252-A255 PolarHBondContact O-N 3.05Å; N252-A256 WeakPolarHBondContact O-CB 3.29Å; N252-A256 PolarHBondContact O-N 3.1Å |
| 253 | R | 65.3 | Low | 58.3 | Low | 185 Ų | 185 | 94.2 Ų | 94.2 | 70% | 0.698 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.1 | -37.3 | 173.7 | -76.9 | 171.5 | 179.1 | 147.9 | -0.2 | 112.2 | A249 L250 I251 A256 A257 | A249-R253 WeakPolarHBondContact O-CB 3.47Å; A249-R253 VanDerWaalsContact O-CG 3.3Å; A249-R253 WeakPolarHBondContact O-CG 3.47Å; A249-R253 PolarHBondContact O-N 2.94Å; L250-R253 PolarHBondContact O-N 3.02Å; I251-R253 PolarHBondContact O-N 3.05Å; R253-A256 PolarHBondContact O-N 3.31Å; R253-A257 VanDerWaalsContact O-CB 3.28Å; R253-A257 WeakPolarHBondContact O-CB 3.49Å; R253-A257 PolarHBondContact O-N 3.01Å |
| 254 | T | 63 | Low | 57.3 | Low | 62 Ų | 62 | 95.7 Ų | 95.7 | 38% | 0.38 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.6 | -37.9 | 176.1 | -50.8 | 0 | 0 | 0 | 0 | 111.3 | M235 L250 I251 N252 A256 A257 V258 | M235-T254 HydrophobicContact CE-CG2 4Å; L250-T254 PolarHBondContact O-N 2.84Å; L250-T254 PolarHBondContact O-OG1 2.92Å; I251-T254 CarbonylContact O-C 3.32Å; I251-T254 WeakPolarHBondContact O-CB 3.24Å; I251-T254 PolarHBondContact O-N 3.38Å; I251-T254 VanDerWaalsContact O-N 3.13Å; N252-T254 VanDerWaalsContact C-N 3.34Å; T254-A256 VanDerWaalsContact C-N 3.3Å; T254-A256 PolarHBondContact O-N 2.72Å; T254-A257 PolarHBondContact O-N 3.48Å; T254-V258 WeakPolarHBondContact O-CB 3.41Å; T254-V258 PolarHBondContact O-N 3.22Å |
| 255 | A | 56.3 | Low | 55.7 | Low | 24 Ų | 24 | 95.2 Ų | 95.2 | 20% | 0.198 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -77.6 | -9.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | M235 I251 N252 V258 Y260 | M235-A255 HydrophobicContact CE-CB 3.99Å; I251-A255 WeakPolarHBondContact O-CB 3.38Å; I251-A255 PolarHBondContact O-N 2.59Å; N252-A255 PolarHBondContact O-N 3.05Å; A255-V258 CarbonylContact C-O 3.55Å; A255-V258 VanDerWaalsContact O-O 3.07Å; A255-Y260 HydrophobicContact CB-CD2 4.02Å; A255-Y260 HydrophobicContact CB-CE2 3.79Å; A255-Y260 WeakPolarHBondContact O-CD2 3.06Å |
| 256 | A | 56.2 | Low | 53.8 | Low | 82 Ų | 82 | 97.1 Ų | 97.1 | 68% | 0.678 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -97.9 | -23.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N252 R253 T254 | N252-A256 WeakPolarHBondContact O-CB 3.29Å; N252-A256 PolarHBondContact O-N 3.1Å; R253-A256 PolarHBondContact O-N 3.31Å; T254-A256 VanDerWaalsContact C-N 3.3Å; T254-A256 PolarHBondContact O-N 2.72Å |
| 257 | A | 55.5 | Low | 52.3 | Low | 89 Ų | 89 | 95.3 Ų | 95.3 | 74% | 0.736 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -89.1 | -32 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | R253 T254 | R253-A257 VanDerWaalsContact O-CB 3.28Å; R253-A257 WeakPolarHBondContact O-CB 3.49Å; R253-A257 PolarHBondContact O-N 3.01Å; T254-A257 PolarHBondContact O-N 3.48Å |
| 258 | V | 52.5 | Low | 50.8 | Low | 80 Ų | 80 | 98.8 Ų | 98.8 | 49% | 0.485 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 114.6 | 157.2 | 179.2 | 0 | 0 | 0 | 0 | 105.9 | T254 A255 Y260 | T254-V258 WeakPolarHBondContact O-CB 3.41Å; T254-V258 PolarHBondContact O-N 3.22Å; A255-V258 CarbonylContact C-O 3.55Å; A255-V258 VanDerWaalsContact O-O 3.07Å; V258-Y260 HydrophobicContact CB-CD2 4.48Å; V258-Y260 HydrophobicContact CB-CE2 4.43Å; V258-Y260 HydrophobicContact CG1-CD2 4.4Å; V258-Y260 HydrophobicContact CG1-CE2 4.38Å; V258-Y260 WeakPolarHBondContact O-CD2 3.32Å; V258-Y260 PolarHBondContact O-N 3.03Å |
| 259 | D | 46.2 | Very low | 48.8 | Very low | 85 Ų | 85 | 96.6 Ų | 96.6 | 46% | 0.455 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.2 | 95.4 | -179.4 | -169.6 | -12.9 | 0 | 0 | 0 | 110.5 | K261 L262 A263 | D259-K261 PolarHBondContact O-N 3.09Å; D259-K261 VanDerWaalsContact O-N 3.16Å; D259-K261 WeakPolarHBondContact OD1-CB 3.49Å; D259-K261 PolarHBondContact OD1-N 2.71Å; D259-L262 HydrophobicContact CB-CB 4.24Å; D259-L262 HydrophobicContact CB-CD1 4.03Å; D259-L262 HydrophobicContact CB-CG 4.18Å; D259-L262 PolarHBondContact O-N 2.79Å; D259-A263 PolarHBondContact O-N 2.87Å |
| 260 | Y | 35.6 | Very low | 46.8 | Very low | 94 Ų | 94 | 102.9 Ų | 102.9 | 37% | 0.369 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -59.7 | -23.9 | -179.2 | -96.3 | -106.4 | 0 | 0 | 0 | 112.8 | M235 A255 V258 A263 Y264 | M235-Y260 WeakPolarHBondContact CB-OH 3.46Å; M235-Y260 VanDerWaalsContact CG-OH 3.29Å; M235-Y260 WeakPolarHBondContact CG-OH 3.26Å; A255-Y260 HydrophobicContact CB-CD2 4.02Å; A255-Y260 HydrophobicContact CB-CE2 3.79Å; A255-Y260 WeakPolarHBondContact O-CD2 3.06Å; V258-Y260 HydrophobicContact CB-CD2 4.48Å; V258-Y260 HydrophobicContact CB-CE2 4.43Å; V258-Y260 HydrophobicContact CG1-CD2 4.4Å; V258-Y260 HydrophobicContact CG1-CE2 4.38Å; V258-Y260 WeakPolarHBondContact O-CD2 3.32Å; V258-Y260 PolarHBondContact O-N 3.03Å; Y260-A263 PolarHBondContact O-N 3.41Å; Y260-Y264 PolarHBondContact O-N 2.98Å |
| 261 | K | 43.1 | Very low | 44.8 | Very low | 166 Ų | 166 | 106.7 Ų | 106.7 | 72% | 0.722 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -76.6 | -19.6 | 174.8 | -75.4 | -172.5 | 167.6 | -171.6 | 0 | 113.9 | D259 | D259-K261 PolarHBondContact O-N 3.09Å; D259-K261 VanDerWaalsContact O-N 3.16Å; D259-K261 WeakPolarHBondContact OD1-CB 3.49Å; D259-K261 PolarHBondContact OD1-N 2.71Å |
| 262 | L | 44 | Very low | 42.7 | Very low | 147 Ų | 147 | 109.6 Ų | 109.6 | 77% | 0.77 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -89.3 | -22.9 | 171.6 | -68.4 | 177.1 | 0 | 0 | 0 | 112.4 | D259 | D259-L262 HydrophobicContact CB-CB 4.24Å; D259-L262 HydrophobicContact CB-CD1 4.03Å; D259-L262 HydrophobicContact CB-CG 4.18Å; D259-L262 PolarHBondContact O-N 2.79Å |
| 263 | A | 40 | Very low | 40.9 | Very low | 61 Ų | 61 | 115 Ų | 115 | 50% | 0.504 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -78.6 | -33 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D259 Y260 | D259-A263 PolarHBondContact O-N 2.87Å; Y260-A263 PolarHBondContact O-N 3.41Å |
| 264 | Y | 33.3 | Very low | 39 | Very low | 169 Ų | 169 | 113.8 Ų | 113.8 | 66% | 0.663 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -132.7 | 115.7 | 174.3 | -75.1 | -93.5 | 0 | 0 | 0 | 109.5 | Y260 D266 | Y260-Y264 PolarHBondContact O-N 2.98Å; Y264-D266 PolarHBondContact O-N 3.27Å; Y264-D266 VanDerWaalsContact O-N 3.08Å |
| 265 | G | 30.9 | Very low | 37.5 | Very low | 66 Ų | 66 | 118 Ų | 118 | 68% | 0.68 | 67% | 0.674 | S | S | * | * | trans | -74.2 | 96.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | S267 | G265-S267 PolarHBondContact O-N 3.4Å; G265-S267 PolarHBondContact O-OG 3.11Å | ||
| 266 | D | 32.8 | Very low | 36.2 | Very low | 137 Ų | 137 | 123.2 Ų | 123.2 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | trans | -53.5 | 106.2 | 167.6 | -90.3 | -31.4 | 0 | 0 | 0 | 109 | Y264 I268 | Y264-D266 PolarHBondContact O-N 3.27Å; Y264-D266 VanDerWaalsContact O-N 3.08Å; D266-I268 VanDerWaalsContact C-N 3.26Å; D266-I268 PolarHBondContact O-N 2.92Å | ||
| 267 | S | 33.1 | Very low | 34.9 | Very low | 120 Ų | 120 | 129 Ų | 129 | 84% | 0.839 | 70% | 0.703 | S | S | * | * | trans | -79 | 80.4 | -178.9 | -64 | 0 | 0 | 0 | 0 | 108.7 | G265 G269 | G265-S267 PolarHBondContact O-N 3.4Å; G265-S267 PolarHBondContact O-OG 3.11Å; S267-G269 PolarHBondContact O-N 3.02Å | ||
| 268 | I | 32.8 | Very low | 33.6 | Very low | 147 Ų | 147 | 129.7 Ų | 129.7 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | trans | -56.2 | 107.4 | 177.4 | -62.1 | 175.4 | 0 | 0 | 0 | 108.5 | D266 L270 | D266-I268 VanDerWaalsContact C-N 3.26Å; D266-I268 PolarHBondContact O-N 2.92Å; I268-L270 PolarHBondContact O-N 3.24Å | ||
| 269 | G | 29 | Very low | 32.3 | Very low | 69 Ų | 69 | 130.9 Ų | 130.9 | 71% | 0.711 | 71% | 0.713 | S | S | * | * | trans | -68.5 | 98.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S267 Q271 | S267-G269 PolarHBondContact O-N 3.02Å; G269-Q271 VanDerWaalsContact C-N 3.35Å; G269-Q271 PolarHBondContact O-N 3.38Å | ||
| 270 | L | 27.3 | Very low | 31.6 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 90% | 0.895 | 73% | 0.731 | S | S | * | * | trans | -70.1 | 87.6 | 171.1 | -77.5 | 167.3 | 0 | 0 | 0 | 110.2 | I268 | I268-L270 PolarHBondContact O-N 3.24Š| ||
| 271 | Q | 28 | Very low | 31.3 | Very low | 184 Ų | 184 | 134.7 Ų | 134.7 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | trans | -133.8 | 75.4 | -178.6 | -166.6 | 73.3 | 53.1 | 0 | 0 | 111.2 | G269 | G269-Q271 VanDerWaalsContact C-N 3.35Å; G269-Q271 PolarHBondContact O-N 3.38Å | ||
| 272 | G | 26.4 | Very low | 30.9 | Very low | 79 Ų | 79 | 131.8 Ų | 131.8 | 81% | 0.814 | 75% | 0.747 | S | S | * | * | trans | 82.7 | 151.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 273 | R | 26.9 | Very low | 30.3 | Very low | 197 Ų | 197 | 133 Ų | 133 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | cis | -136.2 | 145.9 | 6.8 | -164.7 | 177.4 | -173.6 | -76.8 | 2.5 | 108.7 | E275 | R273-E275 IonicContact CZ-OE1 2.78Å; R273-E275 IonicContact CZ-OE2 3.56Å; R273-E275 IonicContact NH1-OE1 2.78Å; R273-E275 PolarHBondContact NH1-OE1 3.21Å; R273-E275 IonicContact NH1-OE2 3.67Å; R273-E275 PolarHBondContact NH1-OE2 3.25Å; R273-E275 IonicContact NH2-OE1 3.98Å | ||
| 274 | L | 27.1 | Very low | 30 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | trans | -76.8 | 144.5 | 169.3 | -92.9 | 79.6 | 0 | 0 | 0 | 110.3 | ||||
| 275 | E | 30.2 | Very low | 29.8 | Very low | 150 Ų | 150 | 136 Ų | 136 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | trans | 177.9 | 100.9 | 139.1 | -93.3 | 139.4 | -148.4 | 0 | 0 | 104.7 | R273 | R273-E275 IonicContact CZ-OE1 2.78Å; R273-E275 IonicContact CZ-OE2 3.56Å; R273-E275 IonicContact NH1-OE1 2.78Å; R273-E275 PolarHBondContact NH1-OE1 3.21Å; R273-E275 IonicContact NH1-OE2 3.67Å; R273-E275 PolarHBondContact NH1-OE2 3.25Å; R273-E275 IonicContact NH2-OE1 3.98Å | ||
| 276 | D | 29.1 | Very low | 29.8 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | 65.7 | 137.8 | 97.7 | -134.5 | 26 | 0 | 0 | 0 | 112 | |||||
| 277 | R | 29 | Very low | 29.8 | Very low | 205 Ų | 205 | 137.5 Ų | 137.5 | 77% | 0.774 | 77% | 0.765 | S | S | * | * | cis | -167 | 153.5 | 31 | -164.1 | 173.5 | -138.6 | -159.4 | -1.6 | 112.6 | ||||
| 278 | S | 28.2 | Very low | 29.6 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | 64 | 147.6 | 156.4 | 61.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 279 | C | 26.2 | Very low | 29.3 | Very low | 105 Ų | 105 | 136 Ų | 136 | 71% | 0.709 | 77% | 0.765 | S | S | * | * | cis | -164.9 | 142.9 | -11.8 | -111.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 280 | L | 31.1 | Very low | 29.3 | Very low | 161 Ų | 161 | 139.1 Ų | 139.1 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | 64.5 | 150.2 | 143.4 | -59.8 | 171.2 | 0 | 0 | 0 | 119.8 | ||||
| 281 | S | 29.3 | Very low | 29.3 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | cis | -167 | 176.8 | -18.4 | -171.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 282 | S | 33.5 | Very low | 29.1 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | 71.8 | 105.1 | 176.6 | -151.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 283 | K | 32.6 | Very low | 29.1 | Very low | 173 Ų | 173 | 132.9 Ų | 132.9 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | cis | 83.3 | 104 | 41.3 | -63.9 | -172.8 | 174.2 | 179.8 | 0 | 115.9 | ||||
| 284 | H | 32.7 | Very low | 29 | Very low | 161 Ų | 161 | 134.2 Ų | 134.2 | 75% | 0.745 | 76% | 0.759 | S | S | * | * | 174.7 | 115.4 | 112 | -101.2 | -102.1 | 0 | 0 | 0 | 107.7 | |||||
| 285 | N | 29.8 | Very low | 28.9 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | 68.8 | 140.7 | 80.4 | -73.3 | -8.2 | 0 | 0 | 0 | 113.4 | |||||
| 286 | V | 31.9 | Very low | 28.9 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | cis | -169.5 | 153.8 | 0.8 | 119.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 287 | S | 31.5 | Very low | 28.9 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | cis | -171 | 164.1 | -25 | -91.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 288 | G | 29 | Very low | 28.9 | Very low | 72 Ų | 72 | 124.1 Ų | 124.1 | 74% | 0.742 | 74% | 0.736 | S | S | * | * | cis | -178.5 | 168.3 | 4.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 289 | L | 27.2 | Very low | 28.8 | Very low | 162 Ų | 162 | 121.7 Ų | 121.7 | 85% | 0.848 | 73% | 0.727 | S | S | * | * | trans | -92.7 | 126.5 | -176.6 | 180 | 70.3 | 0 | 0 | 0 | 110.8 | ||||
| 290 | V | 28.7 | Very low | 29.3 | Very low | 135 Ų | 135 | 121 Ų | 121 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | -94.1 | 114.4 | 168.5 | 177.2 | 0 | 0 | 0 | 0 | 108.9 | G292 | V290-G292 VanDerWaalsContact C-N 3.34Å; V290-G292 PolarHBondContact O-N 3.41Å | ||
| 291 | T | 26.7 | Very low | 29.4 | Very low | 120 Ų | 120 | 119.9 Ų | 119.9 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | trans | -71.5 | 85.4 | 175.1 | 48.6 | 0 | 0 | 0 | 0 | 110.6 | S293 | T291-S293 PolarHBondContact O-N 3.21Š| ||
| 292 | G | 24.6 | Very low | 29.7 | Very low | 62 Ų | 62 | 122.4 Ų | 122.4 | 64% | 0.639 | 72% | 0.723 | S | S | * | * | trans | -77.4 | 99.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V290 R294 | V290-G292 VanDerWaalsContact C-N 3.34Å; V290-G292 PolarHBondContact O-N 3.41Å; G292-R294 PolarHBondContact O-N 3.32Å | ||
| 293 | S | 25.2 | Very low | 30 | Very low | 121 Ų | 121 | 119.5 Ų | 119.5 | 85% | 0.846 | 71% | 0.705 | S | S | * | * | trans | -60.6 | 94.7 | 176.3 | -55.1 | 0 | 0 | 0 | 0 | 112 | T291 S295 | T291-S293 PolarHBondContact O-N 3.21Å; S293-S295 PolarHBondContact O-N 3.04Å; S293-S295 VanDerWaalsContact O-N 3.15Å | ||
| 294 | R | 26 | Very low | 30.2 | Very low | 226 Ų | 226 | 114.6 Ų | 114.6 | 85% | 0.853 | 70% | 0.696 | S | S | * | * | trans | -79.3 | 94.4 | 172.8 | -75 | -172.1 | 173.9 | -122.6 | -1.3 | 110.3 | G292 L296 | G292-R294 PolarHBondContact O-N 3.32Å; R294-L296 PolarHBondContact O-N 3.36Å | ||
| 295 | S | 24.8 | Very low | 30.7 | Very low | 98 Ų | 98 | 110.2 Ų | 110.2 | 69% | 0.685 | 69% | 0.688 | S | S | * | * | trans | -58.3 | 119.2 | 159.5 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | S293 S297 | S293-S295 PolarHBondContact O-N 3.04Å; S293-S295 VanDerWaalsContact O-N 3.15Å; S295-S297 VanDerWaalsContact C-N 3.33Å; S295-S297 PolarHBondContact OG-OG 2.83Å | ||
| 296 | L | 30.4 | Very low | 31.2 | Very low | 146 Ų | 146 | 105.7 Ų | 105.7 | 76% | 0.764 | 67% | 0.667 | S | S | * | * | trans | -101.1 | 49.4 | 176.6 | -69.6 | 179 | 0 | 0 | 0 | 111 | R294 Q298 | R294-L296 PolarHBondContact O-N 3.36Å; L296-Q298 PolarHBondContact O-N 3.27Å | ||
| 297 | S | 29.4 | Very low | 32 | Very low | 87 Ų | 87 | 105 Ų | 105 | 61% | 0.608 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -71.6 | 107.9 | 166.7 | 39.8 | 0 | 0 | 0 | 0 | 109.5 | S295 | S295-S297 VanDerWaalsContact C-N 3.33Å; S295-S297 PolarHBondContact OG-OG 2.83Å |
| 298 | Q | 28.7 | Very low | 33.3 | Very low | 105 Ų | 105 | 103 Ų | 103 | 49% | 0.491 | 65% | 0.648 | S | S | . | * | S | Bend | trans | 53.9 | 76.3 | 172.8 | -55.5 | -153 | 42.6 | 0 | 0 | 116.6 | L296 L1023 A1024 | L296-Q298 PolarHBondContact O-N 3.27Å; Q298-L1023 HydrophobicContact CB-CB 4.07Å; Q298-L1023 HydrophobicContact CB-CD1 3.74Å; Q298-L1023 VanDerWaalsContact CD-CB 3.43Å; Q298-L1023 HydrophobicContact CG-CB 4.14Å; Q298-L1023 PolarHBondContact NE2-O 3.49Å; Q298-A1024 PolarHBondContact NE2-O 3.13Å |
| 299 | G | 26.7 | Very low | 34.4 | Very low | 52 Ų | 52 | 100.5 Ų | 100.5 | 54% | 0.536 | 62% | 0.623 | S | S | . | * | trans | -171.7 | 151.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L301 | G299-L301 VanDerWaalsContact C-N 3.29Å; G299-L301 PolarHBondContact O-N 3.4Å | ||
| 300 | S | 35 | Very low | 35.8 | Very low | 89 Ų | 89 | 97.5 Ų | 97.5 | 62% | 0.622 | 61% | 0.607 | S | S | * | * | trans | 64.3 | 3.9 | 156.1 | -163.9 | 0 | 0 | 0 | 0 | 119.7 | L302 A303 A304 | S300-L302 VanDerWaalsContact C-N 3.28Å; S300-L302 PolarHBondContact O-N 2.95Å; S300-A303 PolarHBondContact O-N 3.07Å; S300-A303 WeakPolarHBondContact OG-CB 3.34Å; S300-A304 PolarHBondContact O-N 3.14Å; S300-A304 VanDerWaalsContact O-N 3.12Å | ||
| 301 | L | 33.3 | Very low | 37.2 | Very low | 139 Ų | 139 | 99.1 Ų | 99.1 | 73% | 0.728 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -57 | -42 | 174.8 | -128.3 | 174.2 | 0 | 0 | 0 | 111.8 | G299 A303 A305 | G299-L301 VanDerWaalsContact C-N 3.29Å; G299-L301 PolarHBondContact O-N 3.4Å; L301-A303 VanDerWaalsContact C-N 3.31Å; L301-A303 PolarHBondContact O-N 3.17Å; L301-A305 WeakPolarHBondContact O-CB 3.42Å; L301-A305 PolarHBondContact O-N 3.44Å; L301-A305 VanDerWaalsContact O-N 3.17Å |
| 302 | L | 36.8 | Very low | 38.9 | Very low | 151 Ų | 151 | 99 Ų | 99 | 79% | 0.791 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.6 | -23.5 | 172.8 | -79 | 174.1 | 0 | 0 | 0 | 114.1 | S300 A305 S306 | S300-L302 VanDerWaalsContact C-N 3.28Å; S300-L302 PolarHBondContact O-N 2.95Å; L302-A305 CarbonylContact O-C 3.57Å; L302-S306 WeakPolarHBondContact O-CA 3.42Å; L302-S306 VanDerWaalsContact O-CB 3.25Å; L302-S306 WeakPolarHBondContact O-CB 3.46Å; L302-S306 PolarHBondContact O-N 3.48Å |
| 303 | A | 38.5 | Very low | 40.6 | Very low | 44 Ų | 44 | 98.5 Ų | 98.5 | 36% | 0.364 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -80.4 | -38.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S300 L301 A305 S306 G309 | S300-A303 PolarHBondContact O-N 3.07Å; S300-A303 WeakPolarHBondContact OG-CB 3.34Å; L301-A303 VanDerWaalsContact C-N 3.31Å; L301-A303 PolarHBondContact O-N 3.17Å; A303-A305 VanDerWaalsContact C-N 3.32Å; A303-S306 WeakPolarHBondContact O-CB 3.41Å; A303-S306 PolarHBondContact O-N 3.44Å; A303-S306 PolarHBondContact O-OG 3.22Å; A303-G309 VanDerWaalsContact O-CA 3.32Å; A303-G309 WeakPolarHBondContact O-CA 3.48Å; A303-G309 PolarHBondContact O-N 3.08Å |
| 304 | A | 37.6 | Very low | 42.1 | Very low | 69 Ų | 69 | 98.1 Ų | 98.1 | 57% | 0.57 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.7 | -39.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S300 S306 | S300-A304 PolarHBondContact O-N 3.14Å; S300-A304 VanDerWaalsContact O-N 3.12Å; A304-S306 VanDerWaalsContact C-N 3.28Å; A304-S306 PolarHBondContact O-N 3.47Å |
| 305 | A | 42.1 | Very low | 43.8 | Very low | 70 Ų | 70 | 91.8 Ų | 91.8 | 58% | 0.579 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -4.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L301 L302 A303 | L301-A305 WeakPolarHBondContact O-CB 3.42Å; L301-A305 PolarHBondContact O-N 3.44Å; L301-A305 VanDerWaalsContact O-N 3.17Å; L302-A305 CarbonylContact O-C 3.57Å; A303-A305 VanDerWaalsContact C-N 3.32Å |
| 306 | S | 41.6 | Very low | 45.6 | Very low | 36 Ų | 36 | 92.2 Ų | 92.2 | 25% | 0.252 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -79.3 | 158.1 | -179 | 76.4 | 0 | 0 | 0 | 0 | 111.8 | L302 A303 A304 A308 G309 L310 | L302-S306 WeakPolarHBondContact O-CA 3.42Å; L302-S306 VanDerWaalsContact O-CB 3.25Å; L302-S306 WeakPolarHBondContact O-CB 3.46Å; L302-S306 PolarHBondContact O-N 3.48Å; A303-S306 WeakPolarHBondContact O-CB 3.41Å; A303-S306 PolarHBondContact O-N 3.44Å; A303-S306 PolarHBondContact O-OG 3.22Å; A304-S306 VanDerWaalsContact C-N 3.28Å; A304-S306 PolarHBondContact O-N 3.47Å; S306-A308 PolarHBondContact O-N 3.26Å; S306-A308 VanDerWaalsContact O-N 3.11Å; S306-A308 PolarHBondContact OG-N 3.4Å; S306-G309 PolarHBondContact O-N 3.07Å; S306-G309 PolarHBondContact OG-N 2.93Å; S306-L310 PolarHBondContact O-N 3.44Å |
| 307 | L | 47.2 | Very low | 46.5 | Very low | 108 Ų | 108 | 88.8 Ų | 88.8 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -56.6 | -25.2 | 169.5 | -158.4 | 79.5 | 0 | 0 | 0 | 112.7 | R311 | L307-R311 WeakPolarHBondContact O-CB 3.32Å; L307-R311 VanDerWaalsContact O-CD 3.27Å; L307-R311 WeakPolarHBondContact O-CD 3.22Å; L307-R311 WeakPolarHBondContact O-CG 3.41Å; L307-R311 PolarHBondContact O-N 3.36Å |
| 308 | A | 59.5 | Low | 47.7 | Very low | 70 Ų | 70 | 88.9 Ų | 88.9 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -78.6 | -44.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S306 R311 H312 | S306-A308 PolarHBondContact O-N 3.26Å; S306-A308 VanDerWaalsContact O-N 3.11Å; S306-A308 PolarHBondContact OG-N 3.4Å; A308-R311 PolarHBondContact O-N 2.89Å; A308-H312 WeakPolarHBondContact O-CB 3.18Å; A308-H312 PolarHBondContact O-N 2.82Å |
| 309 | G | 52.2 | Low | 48.6 | Very low | 21 Ų | 21 | 90.6 Ų | 90.6 | 22% | 0.216 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A303 S306 R311 H312 A313 | A303-G309 VanDerWaalsContact O-CA 3.32Å; A303-G309 WeakPolarHBondContact O-CA 3.48Å; A303-G309 PolarHBondContact O-N 3.08Å; S306-G309 PolarHBondContact O-N 3.07Å; S306-G309 PolarHBondContact OG-N 2.93Å; G309-R311 VanDerWaalsContact C-N 3.33Å; G309-R311 PolarHBondContact O-N 2.86Å; G309-H312 PolarHBondContact O-N 3.37Å; G309-A313 WeakPolarHBondContact O-CB 3.41Å; G309-A313 PolarHBondContact O-N 2.92Å |
| 310 | L | 56.7 | Low | 49.4 | Very low | 98 Ų | 98 | 95.1 Ų | 95.1 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 173.9 | -73.7 | 169.2 | 0 | 0 | 0 | 112.6 | S306 L314 | S306-L310 PolarHBondContact O-N 3.44Å; L310-L314 WeakPolarHBondContact O-CB 3.26Å; L310-L314 PolarHBondContact O-N 3.27Å |
| 311 | R | 58.9 | Low | 49.5 | Very low | 169 Ų | 169 | 96.9 Ų | 96.9 | 64% | 0.638 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.3 | -44 | 172 | -79.1 | 169.1 | -179.2 | -174.4 | -1.6 | 112 | L307 A308 G309 A313 L314 D315 | L307-R311 WeakPolarHBondContact O-CB 3.32Å; L307-R311 VanDerWaalsContact O-CD 3.27Å; L307-R311 WeakPolarHBondContact O-CD 3.22Å; L307-R311 WeakPolarHBondContact O-CG 3.41Å; L307-R311 PolarHBondContact O-N 3.36Å; A308-R311 PolarHBondContact O-N 2.89Å; G309-R311 VanDerWaalsContact C-N 3.33Å; G309-R311 PolarHBondContact O-N 2.86Å; R311-A313 VanDerWaalsContact C-N 3.35Å; R311-A313 PolarHBondContact O-N 3.29Å; R311-L314 PolarHBondContact O-N 2.86Å; R311-D315 WeakPolarHBondContact O-CB 3.44Å; R311-D315 PolarHBondContact O-N 3Å |
| 312 | H | 62.7 | Low | 49.6 | Very low | 118 Ų | 118 | 96 Ų | 96 | 55% | 0.546 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.4 | -32.8 | -179.8 | -162.3 | -63.7 | 0 | 0 | 0 | 112.5 | A308 G309 Q316 | A308-H312 WeakPolarHBondContact O-CB 3.18Å; A308-H312 PolarHBondContact O-N 2.82Å; G309-H312 PolarHBondContact O-N 3.37Å; H312-Q316 PolarHBondContact CE1-NE2 2.87Å; H312-Q316 WeakPolarHBondContact O-CG 3.09Å; H312-Q316 PolarHBondContact O-N 3.16Å; H312-Q316 VanDerWaalsContact O-N 3.12Å |
| 313 | A | 58.5 | Low | 49.4 | Very low | 52 Ų | 52 | 98.2 Ų | 98.2 | 43% | 0.43 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71.5 | -37.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G309 R311 T317 | G309-A313 WeakPolarHBondContact O-CB 3.41Å; G309-A313 PolarHBondContact O-N 2.92Å; R311-A313 VanDerWaalsContact C-N 3.35Å; R311-A313 PolarHBondContact O-N 3.29Å; A313-T317 PolarHBondContact O-N 2.99Å; A313-T317 PolarHBondContact O-OG1 2.79Å |
| 314 | L | 56.6 | Low | 49.4 | Very low | 112 Ų | 112 | 102 Ų | 102 | 59% | 0.586 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.2 | -44.5 | 171.3 | -96.7 | 163.4 | 0 | 0 | 0 | 111.9 | L310 R311 Q316 T317 T318 | L310-L314 WeakPolarHBondContact O-CB 3.26Å; L310-L314 PolarHBondContact O-N 3.27Å; R311-L314 PolarHBondContact O-N 2.86Å; L314-Q316 VanDerWaalsContact C-N 3.35Å; L314-Q316 PolarHBondContact O-N 2.86Å; L314-T317 WeakPolarHBondContact CA-OG1 3.37Å; L314-T317 PolarHBondContact O-N 3.45Å; L314-T317 PolarHBondContact O-OG1 3.24Å; L314-T317 VanDerWaalsContact O-OG1 3.08Å; L314-T318 PolarHBondContact O-N 3.1Å; L314-T318 PolarHBondContact O-OG1 3.07Å; L314-T318 VanDerWaalsContact O-OG1 3.12Å |
| 315 | D | 62.6 | Low | 49.3 | Very low | 93 Ų | 93 | 105.1 Ų | 105.1 | 50% | 0.497 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.2 | -38.5 | 179.3 | -162.4 | 79.1 | 0 | 0 | 0 | 112.3 | R311 T318 Q319 | R311-D315 WeakPolarHBondContact O-CB 3.44Å; R311-D315 PolarHBondContact O-N 3Å; D315-T318 WeakPolarHBondContact CA-OG1 3.43Å; D315-T318 PolarHBondContact O-OG1 2.82Å; D315-Q319 VanDerWaalsContact O-CG 3.3Å; D315-Q319 WeakPolarHBondContact O-CG 3.39Å; D315-Q319 PolarHBondContact O-N 3.02Å; D315-Q319 PolarHBondContact O-NE2 3.46Å; D315-Q319 PolarHBondContact OD2-NE2 3.45Å |
| 316 | Q | 61.9 | Low | 48.7 | Very low | 108 Ų | 108 | 108.9 Ų | 108.9 | 51% | 0.505 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -71.1 | -30.2 | 173.4 | -74.5 | -173.5 | -20.4 | 0 | 0 | 113.5 | H312 L314 | H312-Q316 PolarHBondContact CE1-NE2 2.87Å; H312-Q316 WeakPolarHBondContact O-CG 3.09Å; H312-Q316 PolarHBondContact O-N 3.16Å; H312-Q316 VanDerWaalsContact O-N 3.12Å; L314-Q316 VanDerWaalsContact C-N 3.35Å; L314-Q316 PolarHBondContact O-N 2.86Å |
| 317 | T | 50.7 | Low | 48.4 | Very low | 74 Ų | 74 | 118.6 Ų | 118.6 | 45% | 0.454 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -78.5 | -31.8 | 175.3 | 38.9 | 0 | 0 | 0 | 0 | 112.9 | A313 L314 Q319 L320 L321 | A313-T317 PolarHBondContact O-N 2.99Å; A313-T317 PolarHBondContact O-OG1 2.79Å; L314-T317 WeakPolarHBondContact CA-OG1 3.37Å; L314-T317 PolarHBondContact O-N 3.45Å; L314-T317 PolarHBondContact O-OG1 3.24Å; L314-T317 VanDerWaalsContact O-OG1 3.08Å; T317-Q319 VanDerWaalsContact C-N 3.28Å; T317-Q319 PolarHBondContact O-N 3.21Å; T317-L320 PolarHBondContact O-N 2.88Å; T317-L320 VanDerWaalsContact O-N 3.12Å; T317-L321 WeakPolarHBondContact O-CD1 3.39Å |
| 318 | T | 54.3 | Low | 47.4 | Very low | 89 Ų | 89 | 121 Ų | 121 | 55% | 0.546 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -67.8 | -27.1 | 171 | 47.9 | 0 | 0 | 0 | 0 | 112.8 | L314 D315 L320 | L314-T318 PolarHBondContact O-N 3.1Å; L314-T318 PolarHBondContact O-OG1 3.07Å; L314-T318 VanDerWaalsContact O-OG1 3.12Å; D315-T318 WeakPolarHBondContact CA-OG1 3.43Å; D315-T318 PolarHBondContact O-OG1 2.82Å; T318-L320 PolarHBondContact O-N 2.84Å |
| 319 | Q | 47.7 | Very low | 46.2 | Very low | 141 Ų | 141 | 124.3 Ų | 124.3 | 66% | 0.659 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -11 | 171.2 | -70.3 | 175.9 | 48.1 | 0 | 0 | 114.1 | D315 T317 | D315-Q319 VanDerWaalsContact O-CG 3.3Å; D315-Q319 WeakPolarHBondContact O-CG 3.39Å; D315-Q319 PolarHBondContact O-N 3.02Å; D315-Q319 PolarHBondContact O-NE2 3.46Å; D315-Q319 PolarHBondContact OD2-NE2 3.45Å; T317-Q319 VanDerWaalsContact C-N 3.28Å; T317-Q319 PolarHBondContact O-N 3.21Å |
| 320 | L | 44.1 | Very low | 45 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 76% | 0.764 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | -2.5 | -178.8 | -69.7 | 172.1 | 0 | 0 | 0 | 114.5 | T317 T318 | T317-L320 PolarHBondContact O-N 2.88Å; T317-L320 VanDerWaalsContact O-N 3.12Å; T318-L320 PolarHBondContact O-N 2.84Å |
| 321 | L | 36.7 | Very low | 43.8 | Very low | 127 Ų | 127 | 135.4 Ų | 135.4 | 67% | 0.665 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -79.2 | 142.9 | 171.8 | -93.3 | 76.5 | 0 | 0 | 0 | 111.3 | T317 K323 | T317-L321 WeakPolarHBondContact O-CD1 3.39Å; L321-K323 PolarHBondContact O-N 2.9Å |
| 322 | P | 34.8 | Very low | 42.3 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 130.5 | 177.3 | 28 | -34.1 | 0 | 0 | 0 | 110.8 | P324 | P322-P324 WeakPolarHBondContact O-CD 3.42Š|
| 323 | K | 32.4 | Very low | 40.6 | Very low | 198 Ų | 198 | 133.1 Ų | 133.1 | 86% | 0.861 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 123.6 | 174.1 | -72.4 | -176.5 | 175.6 | -177.6 | 0 | 110.3 | L321 T325 | L321-K323 PolarHBondContact O-N 2.9Å; K323-T325 PolarHBondContact O-N 2.73Å |
| 324 | P | 38.3 | Very low | 39.3 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 80% | 0.799 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 130.2 | 164.5 | 29.7 | -32.2 | 0 | 0 | 0 | 109 | P322 | P322-P324 WeakPolarHBondContact O-CD 3.42Š|
| 325 | T | 35.9 | Very low | 38 | Very low | 136 Ų | 136 | 135 Ų | 135 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 146.4 | 177.2 | 41.9 | 0 | 0 | 0 | 0 | 112.2 | K323 | K323-T325 PolarHBondContact O-N 2.73Š|
| 326 | D | 29.6 | Very low | 36.5 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 136.4 | -175.7 | -55.8 | -81.3 | 0 | 0 | 0 | 114.4 | ||
| 327 | R | 34.1 | Very low | 35.1 | Very low | 241 Ų | 241 | 137 Ų | 137 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | trans | -141.4 | 121.4 | 150.1 | -79.5 | -160.7 | 167.1 | -171 | -4.6 | 110.2 | ||||
| 328 | N | 27.7 | Very low | 33.9 | Very low | 157 Ų | 157 | 138.1 Ų | 138.1 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | -76.7 | 123.6 | -179 | -58.1 | -30.6 | 0 | 0 | 0 | 111.2 | ||||
| 329 | T | 33.8 | Very low | 33 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | -145.4 | 137.7 | 150.1 | -46.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 330 | E | 27.8 | Very low | 32.2 | Very low | 174 Ų | 174 | 141.9 Ų | 141.9 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -77.9 | 130.4 | -173.3 | -59 | 162.4 | 163.6 | 0 | 0 | 112.2 | ||||
| 331 | L | 29.8 | Very low | 31.7 | Very low | 179 Ų | 179 | 143 Ų | 143 | 94% | 0.937 | 82% | 0.815 | S | S | * | * | trans | -140.7 | 110.9 | 158 | -80.7 | -178.6 | 0 | 0 | 0 | 109.6 | ||||
| 332 | C | 28.2 | Very low | 31.3 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | trans | -76.3 | 150.6 | -172 | -65.1 | 0 | 0 | 0 | 0 | 113.2 | V334 | C332-V334 PolarHBondContact O-N 3.4Š| ||
| 333 | S | 27.5 | Very low | 31.3 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -69.8 | 119 | 171.7 | 35.6 | 0 | 0 | 0 | 0 | 111.7 | G335 | S333-G335 PolarHBondContact O-N 3.29Å; S333-G335 VanDerWaalsContact O-N 3.11Å | ||
| 334 | V | 31.4 | Very low | 31 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | -82.1 | 87.8 | 171.1 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | C332 | C332-V334 PolarHBondContact O-N 3.4Š| ||
| 335 | G | 27.6 | Very low | 30.6 | Very low | 65 Ų | 65 | 140.1 Ų | 140.1 | 67% | 0.67 | 81% | 0.813 | S | S | * | * | trans | -72.1 | 147.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | S333 | S333-G335 PolarHBondContact O-N 3.29Å; S333-G335 VanDerWaalsContact O-N 3.11Å | ||
| 336 | V | 31.3 | Very low | 30.2 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | -118.8 | 102 | 170.8 | -180 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 337 | S | 32.3 | Very low | 30.1 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | -66.4 | 147.7 | 174.5 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 338 | A | 27.4 | Very low | 29.7 | Very low | 97 Ų | 97 | 134.4 Ų | 134.4 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | -112.7 | 94.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 339 | D | 34.2 | Very low | 29.7 | Very low | 155 Ų | 155 | 133.5 Ų | 133.5 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | -83.7 | 146.5 | 172.6 | -78.5 | -50.1 | 0 | 0 | 0 | 111.8 | ||||
| 340 | L | 30.9 | Very low | 29.5 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | trans | -83.6 | 161.6 | 176.1 | -71 | 69.3 | 0 | 0 | 0 | 110.2 | ||||
| 341 | I | 34.6 | Very low | 29.4 | Very low | 170 Ų | 170 | 131.9 Ų | 131.9 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | -171.8 | 147.3 | 120 | -95 | 152.5 | 0 | 0 | 0 | 109.3 | |||||
| 342 | S | 27.4 | Very low | 29.4 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | trans | -87.6 | 153.1 | 176.9 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 343 | D | 34.3 | Very low | 29.3 | Very low | 161 Ų | 161 | 130.6 Ų | 130.6 | 86% | 0.861 | 75% | 0.747 | S | S | * | * | 176.2 | 175.2 | 109.9 | -88 | -14.3 | 0 | 0 | 0 | 113 | |||||
| 344 | T | 27 | Very low | 29.4 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 80% | 0.798 | 74% | 0.741 | S | S | * | * | trans | -114.4 | 179.9 | -162.8 | 50.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 345 | V | 30.8 | Very low | 29.4 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | trans | 94.6 | 75.1 | 166.4 | -165.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 346 | T | 25.6 | Very low | 29.5 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 66% | 0.656 | 75% | 0.748 | S | S | * | * | 29.6 | 148.6 | 121.6 | 60.7 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 347 | M | 28.4 | Very low | 29.4 | Very low | 158 Ų | 158 | 130.6 Ų | 130.6 | 78% | 0.778 | 74% | 0.743 | S | S | * | * | trans | 87.3 | 139.1 | 159.1 | -55.1 | -41.7 | -179.8 | 0 | 0 | 117.5 | ||||
| 348 | E | 26.1 | Very low | 29.6 | Very low | 140 Ų | 140 | 132.5 Ų | 132.5 | 65% | 0.654 | 75% | 0.746 | S | S | * | * | cis | -163.7 | 158.3 | -22.4 | -159.8 | 176.6 | -148.3 | 0 | 0 | 109.6 | ||||
| 349 | H | 28 | Very low | 29.8 | Very low | 138 Ų | 138 | 133.6 Ų | 133.6 | 64% | 0.639 | 74% | 0.742 | S | S | * | * | trans | 64.4 | 156.8 | 164.2 | -73.9 | -34.1 | 0 | 0 | 0 | 117.5 | ||||
| 350 | K | 28.3 | Very low | 29.8 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | cis | -150.8 | 162.7 | -4.6 | -130.5 | 159 | -175.9 | 164.8 | 0 | 110.5 | ||||
| 351 | N | 26.6 | Very low | 29.8 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 66% | 0.658 | 73% | 0.731 | S | S | * | * | trans | 4.8 | 143.1 | 147 | -59.8 | 33.7 | 0 | 0 | 0 | 118 | ||||
| 352 | Q | 29.1 | Very low | 29.7 | Very low | 150 Ų | 150 | 134.6 Ų | 134.6 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | cis | -174 | 170.1 | 12.7 | -118.3 | 171.9 | -80.7 | 0 | 0 | 107.5 | ||||
| 353 | D | 27.7 | Very low | 29.8 | Very low | 123 Ų | 123 | 134 Ų | 134 | 66% | 0.658 | 74% | 0.74 | S | S | * | * | cis | -160.9 | -174 | -2.3 | -147.9 | -32.4 | 0 | 0 | 0 | 109.8 | ||||
| 354 | S | 28.4 | Very low | 29.7 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | trans | 80.6 | 165.3 | 155 | 85.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 355 | S | 32.4 | Very low | 29.9 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | trans | 71 | 79.3 | 177.1 | 71.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 356 | T | 28 | Very low | 30 | Very low | 138 Ų | 138 | 139.7 Ų | 139.7 | 85% | 0.847 | 74% | 0.738 | S | S | * | * | trans | -72.3 | 127.6 | 159.9 | 49.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 357 | S | 29.2 | Very low | 30.1 | Very low | 106 Ų | 106 | 136.9 Ų | 136.9 | 74% | 0.741 | 73% | 0.731 | S | S | * | * | trans | -176.5 | 161 | 149.3 | -88.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 358 | N | 37.5 | Very low | 30.4 | Very low | 146 Ų | 146 | 134.8 Ų | 134.8 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | trans | 82.6 | 114 | 166.3 | -51.5 | -39.5 | 0 | 0 | 0 | 117.2 | ||||
| 359 | T | 31 | Very low | 30.6 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | cis | 92.1 | 130.3 | 30.6 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 360 | T | 34.4 | Very low | 30.8 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 73% | 0.73 | 74% | 0.739 | S | S | * | * | cis | -141.7 | 150.7 | 6.9 | -18.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 361 | T | 32 | Very low | 30.8 | Very low | 110 Ų | 110 | 136 Ų | 136 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | cis | 97.3 | 54.2 | 8.4 | -37.3 | 0 | 0 | 0 | 0 | 117.9 | A363 | T361-A363 PolarHBondContact O-N 3.44Š| ||
| 362 | W | 32 | Very low | 31.1 | Very low | 271 Ų | 271 | 138.6 Ų | 138.6 | 100% | 1.027 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -71.2 | 62.9 | 169.8 | -88 | 104 | 0 | 0 | 0 | 113.7 | ||
| 363 | A | 28.2 | Very low | 31.1 | Very low | 82 Ų | 82 | 140.6 Ų | 140.6 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | trans | -151.4 | 44.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T361 | T361-A363 PolarHBondContact O-N 3.44Š| ||
| 364 | K | 32.4 | Very low | 31.1 | Very low | 178 Ų | 178 | 145.7 Ų | 145.7 | 77% | 0.774 | 77% | 0.773 | S | S | * | * | trans | -160.8 | 123 | 166.9 | -126 | 169.8 | -174.3 | 173.9 | 0 | 115.4 | ||||
| 365 | K | 32.2 | Very low | 31.1 | Very low | 189 Ų | 189 | 151.8 Ų | 151.8 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -137.7 | 120.7 | 136.9 | -173 | 159.5 | -175.7 | 174.5 | 0 | 108.3 | ||
| 366 | H | 32 | Very low | 31 | Very low | 164 Ų | 164 | 151.7 Ų | 151.7 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | 44.5 | 89.9 | -177.7 | -60.9 | -66.4 | 0 | 0 | 0 | 118.3 | ||||
| 367 | G | 27.9 | Very low | 31 | Very low | 49 Ų | 49 | 153.3 Ų | 153.3 | 51% | 0.505 | 78% | 0.782 | S | S | . | * | trans | -114.9 | 119.8 | 135.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 368 | S | 35.2 | Very low | 31 | Very low | 114 Ų | 114 | 159.7 Ų | 159.7 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -96.4 | 112.6 | 149.8 | -64.1 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 369 | R | 29.4 | Very low | 30.6 | Very low | 200 Ų | 200 | 158.5 Ų | 158.5 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | 64.5 | 81.6 | 54.4 | -158.4 | 170.1 | -167.7 | -151.1 | -1.7 | 109.2 | |||||
| 370 | E | 32.3 | Very low | 30.4 | Very low | 147 Ų | 147 | 158.7 Ų | 158.7 | 69% | 0.687 | 80% | 0.795 | S | S | * | * | 97.9 | 156.3 | 83.3 | -87.5 | 162 | -159.4 | 0 | 0 | 110.3 | |||||
| 371 | S | 29.7 | Very low | 30.2 | Very low | 113 Ų | 113 | 162.4 Ų | 162.4 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | 51.1 | 111 | 168.4 | 59.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 372 | L | 31.3 | Very low | 30 | Very low | 177 Ų | 177 | 164.5 Ų | 164.5 | 93% | 0.927 | 81% | 0.808 | S | S | * | * | -152.1 | 164.4 | 114.2 | -111.4 | 170.6 | 0 | 0 | 0 | 111.8 | |||||
| 373 | K | 30.2 | Very low | 30 | Very low | 191 Ų | 191 | 158.4 Ų | 158.4 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | trans | -88.6 | 165.7 | -164.3 | -65.4 | 170 | -179.6 | 171.8 | 0 | 112.1 | R375 | K373-R375 PolarHBondContact O-N 3.4Š| ||
| 374 | R | 28.2 | Very low | 30.1 | Very low | 230 Ų | 230 | 159.5 Ų | 159.5 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | -61.6 | 100.8 | 168.4 | -67 | -179.4 | -179.3 | 178.8 | 1.3 | 111.3 | ||||
| 375 | R | 27.4 | Very low | 29.9 | Very low | 229 Ų | 229 | 159.9 Ų | 159.9 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -146.8 | 120.9 | 149.2 | -112.3 | 174.9 | 174.1 | 165.5 | -2.1 | 105 | K373 | K373-R375 PolarHBondContact O-N 3.4Š| ||
| 376 | S | 29.6 | Very low | 29.8 | Very low | 113 Ų | 113 | 156.2 Ų | 156.2 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | 58.3 | 72.4 | 52.9 | -167.5 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 377 | L | 29.3 | Very low | 29.5 | Very low | 172 Ų | 172 | 158.5 Ų | 158.5 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | trans | -155 | 152.6 | 138.5 | -103.4 | 167 | 0 | 0 | 0 | 108.1 | ||||
| 378 | R | 28.4 | Very low | 30 | Very low | 240 Ų | 240 | 162 Ų | 162 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | trans | -86.6 | 142.7 | 167.2 | -66.7 | 174.7 | 174.2 | 173.1 | -4 | 107.7 | ||||
| 379 | S | 28.6 | Very low | 29.8 | Very low | 121 Ų | 121 | 164.1 Ų | 164.1 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | -147.5 | 146.3 | 137 | -157.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 380 | T | 28.2 | Very low | 29.8 | Very low | 124 Ų | 124 | 159.6 Ų | 159.6 | 76% | 0.761 | 82% | 0.815 | S | S | * | * | trans | -86.6 | 135.3 | 177.4 | -51.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 381 | E | 29 | Very low | 29.5 | Very low | 197 Ų | 197 | 157.3 Ų | 157.3 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -152.2 | 153.5 | 142.2 | -141.4 | 163.7 | -151 | 0 | 0 | 110.3 | ||||
| 382 | M | 28.5 | Very low | 29.6 | Very low | 154 Ų | 154 | 161.8 Ų | 161.8 | 76% | 0.759 | 82% | 0.82 | S | S | * | * | trans | -139.2 | 122 | -158.8 | -171.6 | 161.8 | 76.7 | 0 | 0 | 111 | V384 | M382-V384 HydrophobicContact CG-CG2 3.99Å; M382-V384 HydrophobicContact SD-CG2 4.49Å | ||
| 383 | T | 32.7 | Very low | 29.5 | Very low | 143 Ų | 143 | 161.7 Ų | 161.7 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -123.1 | 118.1 | 171 | 22.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 384 | V | 29.9 | Very low | 29.4 | Very low | 104 Ų | 104 | 159.8 Ų | 159.8 | 63% | 0.63 | 81% | 0.814 | S | S | * | * | trans | -106.1 | 136.4 | -173 | 178.1 | 0 | 0 | 0 | 0 | 109.5 | M382 | M382-V384 HydrophobicContact CG-CG2 3.99Å; M382-V384 HydrophobicContact SD-CG2 4.49Å | ||
| 385 | F | 28.5 | Very low | 29.4 | Very low | 187 Ų | 187 | 158 Ų | 158 | 82% | 0.82 | 82% | 0.816 | S | S | * | * | trans | -130.1 | 151.1 | 159.4 | -84.4 | -87.9 | 0 | 0 | 0 | 108.9 | ||||
| 386 | P | 30 | Very low | 29.6 | Very low | 111 Ų | 111 | 155.6 Ų | 155.6 | 72% | 0.721 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 154.2 | -136.1 | -12 | 30 | 0 | 0 | 0 | 115.4 | ||
| 387 | Y | 26.2 | Very low | 29.6 | Very low | 212 Ų | 212 | 157 Ų | 157 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 139.8 | 160.8 | -80.4 | -97 | 0 | 0 | 0 | 110.3 | ||
| 388 | P | 37.1 | Very low | 29.7 | Very low | 124 Ų | 124 | 152.9 Ų | 152.9 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 142.5 | 156.1 | -16.6 | 31.5 | 0 | 0 | 0 | 110 | ||
| 389 | N | 30.8 | Very low | 30.2 | Very low | 157 Ų | 157 | 147 Ų | 147 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 172.1 | -172.6 | -95.4 | -23.7 | 0 | 0 | 0 | 114.4 | ||
| 390 | S | 30.3 | Very low | 31 | Very low | 106 Ų | 106 | 148.5 Ų | 148.5 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 168.1 | 165.9 | 62.2 | 0 | 0 | 0 | 0 | 113.4 | ||
| 391 | S | 26.2 | Very low | 32.1 | Very low | 99 Ų | 99 | 146.6 Ų | 146.6 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | cis | -163.1 | 150 | 29.9 | 47.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 392 | K | 31.5 | Very low | 33.7 | Very low | 206 Ų | 206 | 140.6 Ų | 140.6 | 90% | 0.896 | 75% | 0.747 | S | S | * | * | 179.8 | 150.9 | 122.9 | -98.1 | 170.7 | -178.2 | -177 | 0 | 110 | |||||
| 393 | E | 29.7 | Very low | 35.1 | Very low | 175 Ų | 175 | 136.6 Ų | 136.6 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | -93.7 | 175.3 | -178.9 | -62.6 | 171.4 | 126.8 | 0 | 0 | 111 | ||||
| 394 | N | 27.9 | Very low | 36.3 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 81% | 0.807 | 72% | 0.723 | S | S | * | * | trans | 68.5 | 85.6 | 167.5 | -49.7 | -32.9 | 0 | 0 | 0 | 116.6 | ||||
| 395 | E | 28.6 | Very low | 37.9 | Very low | 194 Ų | 194 | 137.1 Ų | 137.1 | 91% | 0.907 | 71% | 0.709 | S | S | * | * | -152.8 | 151.5 | 108.5 | -119.6 | 177.5 | 158.9 | 0 | 0 | 111.7 | |||||
| 396 | I | 30.2 | Very low | 39.7 | Very low | 177 Ų | 177 | 130.9 Ų | 130.9 | 91% | 0.908 | 69% | 0.687 | S | S | * | * | trans | -99 | 85.1 | 178.5 | -56.6 | 170.6 | 0 | 0 | 0 | 107.4 | ||||
| 397 | D | 30 | Very low | 41.4 | Very low | 143 Ų | 143 | 127.4 Ų | 127.4 | 77% | 0.765 | 66% | 0.662 | S | S | * | * | trans | -109.7 | 135.8 | 166.8 | -156.9 | -5.6 | 0 | 0 | 0 | 111.1 | D399 | D397-D399 PolarHBondContact O-N 3.36Š| ||
| 398 | S | 31.6 | Very low | 43.3 | Very low | 85 Ų | 85 | 123.6 Ų | 123.6 | 59% | 0.594 | 65% | 0.649 | S | S | * | * | trans | -100.2 | 34.7 | -157.3 | 62.3 | 0 | 0 | 0 | 0 | 113 | H400 | S398-H400 PolarHBondContact O-N 2.98Å; S398-H400 PolarHBondContact O-ND1 2.89Å | ||
| 399 | D | 38.6 | Very low | 44.6 | Very low | 116 Ų | 116 | 123.7 Ų | 123.7 | 62% | 0.62 | 64% | 0.643 | S | S | * | * | trans | -59.8 | 105.2 | -159.7 | -161.4 | 8.9 | 0 | 0 | 0 | 113.5 | D397 T401 | D397-D399 PolarHBondContact O-N 3.36Å; D399-T401 PolarHBondContact O-N 2.91Å | ||
| 400 | H | 46 | Very low | 46.2 | Very low | 153 Ų | 153 | 117.3 Ų | 117.3 | 71% | 0.708 | 61% | 0.613 | S | S | * | * | trans | -79.4 | 66 | -170.8 | 10 | -75 | 0 | 0 | 0 | 111 | S398 T402 | S398-H400 PolarHBondContact O-N 2.98Å; S398-H400 PolarHBondContact O-ND1 2.89Å; H400-T402 PolarHBondContact O-N 3.4Å | ||
| 401 | T | 49.8 | Very low | 46.8 | Very low | 85 Ų | 85 | 118.7 Ų | 118.7 | 52% | 0.521 | 61% | 0.612 | S | S | . | * | trans | -61.5 | 97.1 | 177.4 | 42.4 | 0 | 0 | 0 | 0 | 111 | D399 | D399-T401 PolarHBondContact O-N 2.91Š| ||
| 402 | T | 63.2 | Low | 48.1 | Very low | 71 Ų | 71 | 118 Ų | 118 | 44% | 0.436 | 62% | 0.619 | S | S | . | * | trans | -62.1 | 158.2 | 179.6 | 68.6 | 0 | 0 | 0 | 0 | 111.2 | H400 W404 Q405 T406 | H400-T402 PolarHBondContact O-N 3.4Å; T402-W404 PolarHBondContact O-N 3.42Å; T402-W404 PolarHBondContact OG1-N 2.74Å; T402-Q405 PolarHBondContact O-N 3.13Å; T402-Q405 PolarHBondContact OG1-N 2.9Å; T402-Q405 PolarHBondContact OG1-OE1 2.9Å; T402-T406 PolarHBondContact O-N 3.17Å; T402-T406 PolarHBondContact O-OG1 3.38Å; T402-T406 VanDerWaalsContact O-OG1 3.09Å | ||
| 403 | T | 58.4 | Low | 49.3 | Very low | 69 Ų | 69 | 111 Ų | 111 | 42% | 0.423 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -50 | -24.9 | 168.9 | -48.8 | 0 | 0 | 0 | 0 | 112.8 | I407 A427 | T403-I407 HydrophobicContact CG2-CD1 4.21Å; T403-I407 VanDerWaalsContact O-CD1 3.31Å; T403-I407 WeakPolarHBondContact O-CD1 3.44Å; T403-I407 VanDerWaalsContact O-CG1 3.25Å; T403-I407 WeakPolarHBondContact O-CG1 3.36Å; T403-I407 PolarHBondContact O-N 2.95Å; T403-A427 HydrophobicContact CG2-CB 3.86Å |
| 404 | W | 56.8 | Low | 50.6 | Low | 183 Ų | 183 | 105.4 Ų | 105.4 | 69% | 0.693 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -80.7 | -36.8 | 178.4 | -159.4 | -131.4 | 0 | 0 | 0 | 113 | T402 I407 K408 | T402-W404 PolarHBondContact O-N 3.42Å; T402-W404 PolarHBondContact OG1-N 2.74Å; W404-I407 HydrophobicContact CE3-CB 4.29Å; W404-I407 HydrophobicContact CE3-CD1 4.18Å; W404-I407 HydrophobicContact CE3-CG2 4.23Å; W404-I407 HydrophobicContact CZ3-CD1 4.39Å; W404-I407 HydrophobicContact CZ3-CG2 3.98Å; W404-I407 PolarHBondContact O-N 2.82Å; W404-K408 WeakPolarHBondContact O-CB 3.31Å; W404-K408 PolarHBondContact O-N 3.24Å |
| 405 | Q | 65.1 | Low | 52.2 | Low | 75 Ų | 75 | 105 Ų | 105 | 35% | 0.35 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.1 | -50.2 | 168.2 | -82.9 | 133.8 | -62.7 | 0 | 0 | 110.6 | T402 I407 K408 D409 | T402-Q405 PolarHBondContact O-N 3.13Å; T402-Q405 PolarHBondContact OG1-N 2.9Å; T402-Q405 PolarHBondContact OG1-OE1 2.9Å; Q405-I407 PolarHBondContact O-N 3.35Å; Q405-K408 CarbonylContact O-C 2.96Å; Q405-K408 WeakPolarHBondContact O-CA 3.14Å; Q405-K408 PolarHBondContact O-N 3.04Å; Q405-D409 PolarHBondContact O-N 3.32Å |
| 406 | T | 66.6 | Low | 54.4 | Low | 56 Ų | 56 | 98.9 Ų | 98.9 | 34% | 0.344 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.9 | -20.7 | 179.6 | 4.6 | 0 | 0 | 0 | 0 | 114.7 | T402 | T402-T406 PolarHBondContact O-N 3.17Å; T402-T406 PolarHBondContact O-OG1 3.38Å; T402-T406 VanDerWaalsContact O-OG1 3.09Å |
| 407 | I | 64.4 | Low | 55.9 | Low | 38 Ų | 38 | 98.3 Ų | 98.3 | 20% | 0.195 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -86.7 | -35 | 172.6 | -70.8 | 167.9 | 0 | 0 | 0 | 111.5 | T403 W404 Q405 V423 V424 | T403-I407 HydrophobicContact CG2-CD1 4.21Å; T403-I407 VanDerWaalsContact O-CD1 3.31Å; T403-I407 WeakPolarHBondContact O-CD1 3.44Å; T403-I407 VanDerWaalsContact O-CG1 3.25Å; T403-I407 WeakPolarHBondContact O-CG1 3.36Å; T403-I407 PolarHBondContact O-N 2.95Å; W404-I407 HydrophobicContact CE3-CB 4.29Å; W404-I407 HydrophobicContact CE3-CD1 4.18Å; W404-I407 HydrophobicContact CE3-CG2 4.23Å; W404-I407 HydrophobicContact CZ3-CD1 4.39Å; W404-I407 HydrophobicContact CZ3-CG2 3.98Å; W404-I407 PolarHBondContact O-N 2.82Å; Q405-I407 PolarHBondContact O-N 3.35Å; I407-V423 HydrophobicContact CG1-CG1 3.98Å; I407-V424 HydrophobicContact CD1-CG2 4.08Å |
| 408 | K | 66 | Low | 58 | Low | 132 Ų | 132 | 96.8 Ų | 96.8 | 57% | 0.574 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -74.7 | -35.1 | 179.3 | -156.6 | 177.7 | -172.6 | -174.3 | 0 | 112.4 | W404 Q405 A410 N411 | W404-K408 WeakPolarHBondContact O-CB 3.31Å; W404-K408 PolarHBondContact O-N 3.24Å; Q405-K408 CarbonylContact O-C 2.96Å; Q405-K408 WeakPolarHBondContact O-CA 3.14Å; Q405-K408 PolarHBondContact O-N 3.04Å; K408-A410 PolarHBondContact O-N 3.03Å; K408-N411 VanDerWaalsContact O-CB 3.31Å; K408-N411 WeakPolarHBondContact O-CB 3.17Å; K408-N411 PolarHBondContact O-N 2.83Å; K408-N411 PolarHBondContact O-ND2 3.47Å; K408-N411 VanDerWaalsContact O-ND2 3.13Å; K408-N411 PolarHBondContact O-OD1 3.14Å |
| 409 | D | 65.3 | Low | 59.9 | Low | 126 Ų | 126 | 95.1 Ų | 95.1 | 67% | 0.674 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -19.5 | 177.6 | -55.9 | -32.1 | 0 | 0 | 0 | 111.9 | Q405 N411 | Q405-D409 PolarHBondContact O-N 3.32Å; D409-N411 PolarHBondContact O-N 3.46Å |
| 410 | A | 63.6 | Low | 61.6 | Low | 24 Ų | 24 | 92.3 Ų | 92.3 | 20% | 0.198 | 49% | 0.494 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 17.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K408 G412 A413 L414 | K408-A410 PolarHBondContact O-N 3.03Å; A410-G412 PolarHBondContact O-N 2.88Å; A410-A413 PolarHBondContact O-N 3.38Å; A410-A413 VanDerWaalsContact O-N 3.15Å; A410-L414 HydrophobicContact CB-CD1 3.87Å; A410-L414 HydrophobicContact CB-CD2 4.27Å; A410-L414 HydrophobicContact CB-CG 4.01Å |
| 411 | N | 42.7 | Very low | 62.9 | Low | 135 Ų | 135 | 90.8 Ų | 90.8 | 72% | 0.722 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.4 | 120.9 | -176 | -105.8 | -25.4 | 0 | 0 | 0 | 113 | K408 D409 A413 | K408-N411 VanDerWaalsContact O-CB 3.31Å; K408-N411 WeakPolarHBondContact O-CB 3.17Å; K408-N411 PolarHBondContact O-N 2.83Å; K408-N411 PolarHBondContact O-ND2 3.47Å; K408-N411 VanDerWaalsContact O-ND2 3.13Å; K408-N411 PolarHBondContact O-OD1 3.14Å; D409-N411 PolarHBondContact O-N 3.46Å; N411-A413 VanDerWaalsContact C-N 3.3Å; N411-A413 PolarHBondContact O-N 3.4Å |
| 412 | G | 54 | Low | 64.1 | Low | 83 Ų | 83 | 94.2 Ų | 94.2 | 86% | 0.856 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | -14 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | A410 | A410-G412 PolarHBondContact O-N 2.88Š|
| 413 | A | 56.5 | Low | 64.6 | Low | 61 Ų | 61 | 92.1 Ų | 92.1 | 50% | 0.504 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -12 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | A410 N411 I415 | A410-A413 PolarHBondContact O-N 3.38Å; A410-A413 VanDerWaalsContact O-N 3.15Å; N411-A413 VanDerWaalsContact C-N 3.3Å; N411-A413 PolarHBondContact O-N 3.4Å; A413-I415 PolarHBondContact O-N 2.87Å; A413-I415 VanDerWaalsContact O-N 3.15Å |
| 414 | L | 57.2 | Low | 65.3 | Low | 56 Ų | 56 | 90.9 Ų | 90.9 | 29% | 0.293 | 47% | 0.468 | S | S | . | . | trans | -91.9 | 63.8 | -169.6 | -58.1 | -178.3 | 0 | 0 | 0 | 113.4 | A410 T416 Q419 L420 V423 | A410-L414 HydrophobicContact CB-CD1 3.87Å; A410-L414 HydrophobicContact CB-CD2 4.27Å; A410-L414 HydrophobicContact CB-CG 4.01Å; L414-T416 PolarHBondContact O-N 3.26Å; L414-Q419 HydrophobicContact CD2-CB 3.81Å; L414-L420 HydrophobicContact CD1-CD1 4.03Å; L414-V423 HydrophobicContact CD1-CG2 4.36Å; L414-V423 HydrophobicContact CD2-CG2 3.82Å | ||
| 415 | I | 61.2 | Low | 66.1 | Low | 144 Ų | 144 | 89.9 Ų | 89.9 | 74% | 0.738 | 47% | 0.469 | S | S | * | . | trans | -67 | -10.5 | -178.9 | 58 | 168.5 | 0 | 0 | 0 | 115.5 | A413 | A413-I415 PolarHBondContact O-N 2.87Å; A413-I415 VanDerWaalsContact O-N 3.15Å | ||
| 416 | T | 74.4 | Confident | 66 | Low | 65 Ų | 65 | 94.4 Ų | 94.4 | 40% | 0.399 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -138.5 | 148.6 | 179.9 | 63.2 | 0 | 0 | 0 | 0 | 114.1 | L414 N418 Q419 L420 | L414-T416 PolarHBondContact O-N 3.26Å; T416-N418 PolarHBondContact O-N 3.37Å; T416-N418 VanDerWaalsContact O-N 3.12Å; T416-Q419 WeakPolarHBondContact O-CB 3.39Å; T416-Q419 PolarHBondContact O-N 3.2Å; T416-Q419 WeakPolarHBondContact OG1-CG 3.42Å; T416-Q419 PolarHBondContact OG1-N 2.91Å; T416-Q419 PolarHBondContact OG1-OE1 3.33Å; T416-L420 PolarHBondContact O-N 3.12Å; T416-L420 VanDerWaalsContact O-N 3.16Å |
| 417 | W | 62.3 | Low | 65.8 | Low | 165 Ų | 165 | 92.2 Ų | 92.2 | 63% | 0.625 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -53.3 | -30.8 | 171.8 | -172 | -120.2 | 0 | 0 | 0 | 113.5 | L420 K421 | W417-L420 HydrophobicContact CE3-CD2 3.86Å; W417-L420 HydrophobicContact CZ3-CD2 3.74Å; W417-K421 WeakPolarHBondContact O-CB 3.38Å; W417-K421 PolarHBondContact O-N 3.06Å |
| 418 | N | 73.5 | Confident | 65.7 | Low | 110 Ų | 110 | 95 Ų | 95 | 59% | 0.588 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -78.5 | -16.9 | 176.7 | -73.6 | -21.8 | 0 | 0 | 0 | 113.8 | T416 R422 | T416-N418 PolarHBondContact O-N 3.37Å; T416-N418 VanDerWaalsContact O-N 3.12Å; N418-R422 WeakPolarHBondContact O-CG 3.35Å; N418-R422 PolarHBondContact O-NE 2.73Å |
| 419 | Q | 72.4 | Confident | 65.2 | Low | 51 Ų | 51 | 92 Ų | 92 | 24% | 0.238 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -80.3 | -47.7 | 165.4 | -70.8 | 156.2 | -54 | 0 | 0 | 110 | L414 T416 K421 R422 V423 | L414-Q419 HydrophobicContact CD2-CB 3.81Å; T416-Q419 WeakPolarHBondContact O-CB 3.39Å; T416-Q419 PolarHBondContact O-N 3.2Å; T416-Q419 WeakPolarHBondContact OG1-CG 3.42Å; T416-Q419 PolarHBondContact OG1-N 2.91Å; T416-Q419 PolarHBondContact OG1-OE1 3.33Å; Q419-K421 PolarHBondContact O-N 2.99Å; Q419-R422 WeakPolarHBondContact O-CA 3.3Å; Q419-R422 WeakPolarHBondContact O-CB 3.19Å; Q419-R422 PolarHBondContact O-N 3.14Å; Q419-V423 PolarHBondContact O-N 2.96Å |
| 420 | L | 74.8 | Confident | 64.5 | Low | 56 Ų | 56 | 91.9 Ų | 91.9 | 29% | 0.293 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -55.2 | -48.8 | 176.5 | -175.8 | 67.2 | 0 | 0 | 0 | 111.9 | L414 T416 W417 R422 V423 V424 | L414-L420 HydrophobicContact CD1-CD1 4.03Å; T416-L420 PolarHBondContact O-N 3.12Å; T416-L420 VanDerWaalsContact O-N 3.16Å; W417-L420 HydrophobicContact CE3-CD2 3.86Å; W417-L420 HydrophobicContact CZ3-CD2 3.74Å; L420-R422 PolarHBondContact O-N 3.21Å; L420-V423 PolarHBondContact O-N 3.22Å; L420-V424 HydrophobicContact CD1-CG2 4.5Å; L420-V424 WeakPolarHBondContact O-CG2 3.42Å; L420-V424 PolarHBondContact O-N 2.86Å |
| 421 | K | 73.6 | Confident | 63.4 | Low | 122 Ų | 122 | 94.1 Ų | 94.1 | 53% | 0.53 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.7 | -31 | 174.1 | -85.2 | -171.3 | 168.7 | -174.8 | 0 | 113.7 | W417 Q419 K425 | W417-K421 WeakPolarHBondContact O-CB 3.38Å; W417-K421 PolarHBondContact O-N 3.06Å; Q419-K421 PolarHBondContact O-N 2.99Å; K421-K425 WeakPolarHBondContact O-CB 3.36Å; K421-K425 PolarHBondContact O-N 2.82Å |
| 422 | R | 73.9 | Confident | 63.4 | Low | 156 Ų | 156 | 94.7 Ų | 94.7 | 59% | 0.589 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -76.1 | -37.7 | 176.3 | -81.9 | -177.6 | -71.5 | 166.8 | -2.6 | 112.2 | N418 Q419 L420 R426 | N418-R422 WeakPolarHBondContact O-CG 3.35Å; N418-R422 PolarHBondContact O-NE 2.73Å; Q419-R422 WeakPolarHBondContact O-CA 3.3Å; Q419-R422 WeakPolarHBondContact O-CB 3.19Å; Q419-R422 PolarHBondContact O-N 3.14Å; L420-R422 PolarHBondContact O-N 3.21Å; R422-R426 VanDerWaalsContact O-CB 3.23Å; R422-R426 WeakPolarHBondContact O-CB 3.35Å; R422-R426 PolarHBondContact O-N 3.35Å |
| 423 | V | 73.5 | Confident | 62.4 | Low | 27 Ų | 27 | 95.3 Ų | 95.3 | 16% | 0.164 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -64.1 | -53.2 | 173.8 | 175 | 0 | 0 | 0 | 0 | 110.3 | I407 L414 Q419 L420 K425 R426 A427 | I407-V423 HydrophobicContact CG1-CG1 3.98Å; L414-V423 HydrophobicContact CD1-CG2 4.36Å; L414-V423 HydrophobicContact CD2-CG2 3.82Å; Q419-V423 PolarHBondContact O-N 2.96Å; L420-V423 PolarHBondContact O-N 3.22Å; V423-K425 PolarHBondContact O-N 3.11Å; V423-R426 PolarHBondContact O-N 2.8Å; V423-R426 VanDerWaalsContact O-N 3.12Å; V423-A427 PolarHBondContact O-N 3.35Å |
| 424 | V | 73.1 | Confident | 61.1 | Low | 44 Ų | 44 | 98.2 Ų | 98.2 | 27% | 0.267 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -56.2 | -50.2 | 177.8 | 175 | 0 | 0 | 0 | 0 | 111 | I407 L420 R426 A427 E428 | I407-V424 HydrophobicContact CD1-CG2 4.08Å; L420-V424 HydrophobicContact CD1-CG2 4.5Å; L420-V424 WeakPolarHBondContact O-CG2 3.42Å; L420-V424 PolarHBondContact O-N 2.86Å; V424-R426 VanDerWaalsContact C-N 3.25Å; V424-R426 PolarHBondContact O-N 2.96Å; V424-A427 PolarHBondContact O-N 3.45Å; V424-E428 VanDerWaalsContact O-CB 3.29Å; V424-E428 WeakPolarHBondContact O-CB 3.17Å; V424-E428 PolarHBondContact O-N 3.3Å |
| 425 | K | 73.3 | Confident | 60 | Low | 161 Ų | 161 | 101 Ų | 101 | 70% | 0.7 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.9 | -22.5 | -179.1 | -165.5 | 173.5 | -176.4 | -177 | 0 | 113.8 | K421 V423 S429 | K421-K425 WeakPolarHBondContact O-CB 3.36Å; K421-K425 PolarHBondContact O-N 2.82Å; V423-K425 PolarHBondContact O-N 3.11Å; K425-S429 PolarHBondContact O-N 3.49Å |
| 426 | R | 64.8 | Low | 58.7 | Low | 171 Ų | 171 | 100.3 Ų | 100.3 | 65% | 0.645 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -80.1 | -46 | 173.8 | -175.5 | 179.1 | -75.9 | 155.1 | -10.7 | 111.2 | R422 V423 V424 E428 S429 L430 | R422-R426 VanDerWaalsContact O-CB 3.23Å; R422-R426 WeakPolarHBondContact O-CB 3.35Å; R422-R426 PolarHBondContact O-N 3.35Å; V423-R426 PolarHBondContact O-N 2.8Å; V423-R426 VanDerWaalsContact O-N 3.12Å; V424-R426 VanDerWaalsContact C-N 3.25Å; V424-R426 PolarHBondContact O-N 2.96Å; R426-E428 VanDerWaalsContact C-N 3.31Å; R426-E428 PolarHBondContact O-N 3.29Å; R426-S429 WeakPolarHBondContact O-CB 3.38Å; R426-S429 PolarHBondContact O-N 3.07Å; R426-S429 PolarHBondContact O-OG 3.34Å; R426-L430 PolarHBondContact O-N 3.08Å |
| 427 | A | 62.3 | Low | 56.4 | Low | 9 Ų | 9 | 108.6 Ų | 108.6 | 7% | 0.074 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -60.4 | -41.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T403 V423 V424 S429 L430 G431 | T403-A427 HydrophobicContact CG2-CB 3.86Å; V423-A427 PolarHBondContact O-N 3.35Å; V424-A427 PolarHBondContact O-N 3.45Å; A427-S429 PolarHBondContact O-N 3.42Å; A427-S429 VanDerWaalsContact O-N 3.15Å; A427-L430 PolarHBondContact O-N 3.17Å; A427-G431 PolarHBondContact O-N 2.93Å |
| 428 | E | 61.8 | Low | 55 | Low | 96 Ų | 96 | 107.7 Ų | 107.7 | 45% | 0.449 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.1 | -16.2 | 170.6 | -90 | -165.4 | -126.9 | 0 | 0 | 115 | V424 R426 K432 | V424-E428 VanDerWaalsContact O-CB 3.29Å; V424-E428 WeakPolarHBondContact O-CB 3.17Å; V424-E428 PolarHBondContact O-N 3.3Å; R426-E428 VanDerWaalsContact C-N 3.31Å; R426-E428 PolarHBondContact O-N 3.29Å; E428-K432 VanDerWaalsContact O-CD 3.29Å; E428-K432 WeakPolarHBondContact O-CD 3.27Å; E428-K432 WeakPolarHBondContact O-CE 3.28Å; E428-K432 WeakPolarHBondContact O-CG 3.34Å; E428-K432 PolarHBondContact O-NZ 2.89Å; E428-K432 IonicContact OE2-NZ 2.86Å; E428-K432 PolarHBondContact OE2-NZ 3.21Å; E428-K432 VanDerWaalsContact OE2-NZ 3.07Å |
| 429 | S | 55.1 | Low | 52.9 | Low | 71 Ų | 71 | 106.9 Ų | 106.9 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -92.6 | -28.3 | 176.4 | 68.2 | 0 | 0 | 0 | 0 | 112.9 | K425 R426 A427 | K425-S429 PolarHBondContact O-N 3.49Å; R426-S429 WeakPolarHBondContact O-CB 3.38Å; R426-S429 PolarHBondContact O-N 3.07Å; R426-S429 PolarHBondContact O-OG 3.34Å; A427-S429 PolarHBondContact O-N 3.42Å; A427-S429 VanDerWaalsContact O-N 3.15Å |
| 430 | L | 49.8 | Very low | 50.9 | Low | 123 Ų | 123 | 115.7 Ų | 115.7 | 64% | 0.644 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69 | -40.8 | 170.8 | -78.1 | 144.4 | 0 | 0 | 0 | 111.2 | R426 A427 K432 S433 | R426-L430 PolarHBondContact O-N 3.08Å; A427-L430 PolarHBondContact O-N 3.17Å; L430-K432 PolarHBondContact O-N 2.61Å; L430-S433 PolarHBondContact O-OG 2.66Å |
| 431 | G | 41.8 | Very low | 49 | Very low | 71 Ų | 71 | 123.9 Ų | 123.9 | 73% | 0.732 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 13.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116 | A427 | A427-G431 PolarHBondContact O-N 2.93Š|
| 432 | K | 43.1 | Very low | 47 | Very low | 146 Ų | 146 | 124.4 Ų | 124.4 | 64% | 0.635 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.5 | 8.2 | -177.3 | -66.2 | -177 | -175.5 | 109.5 | 0 | 113.9 | E428 L430 | E428-K432 VanDerWaalsContact O-CD 3.29Å; E428-K432 WeakPolarHBondContact O-CD 3.27Å; E428-K432 WeakPolarHBondContact O-CE 3.28Å; E428-K432 WeakPolarHBondContact O-CG 3.34Å; E428-K432 PolarHBondContact O-NZ 2.89Å; E428-K432 IonicContact OE2-NZ 2.86Å; E428-K432 PolarHBondContact OE2-NZ 3.21Å; E428-K432 VanDerWaalsContact OE2-NZ 3.07Å; L430-K432 PolarHBondContact O-N 2.61Å |
| 433 | S | 31.3 | Very low | 45.4 | Very low | 97 Ų | 97 | 125.1 Ų | 125.1 | 68% | 0.678 | 64% | 0.638 | S | S | * | * | trans | -114.9 | 51 | 178.8 | 57.3 | 0 | 0 | 0 | 0 | 112.5 | L430 | L430-S433 PolarHBondContact O-OG 2.66Š| ||
| 434 | S | 30.9 | Very low | 43.5 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 85% | 0.846 | 66% | 0.663 | S | S | * | * | trans | -147.7 | 75.5 | 172.9 | -166.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 435 | S | 32.2 | Very low | 41.5 | Very low | 116 Ų | 116 | 134 Ų | 134 | 81% | 0.811 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -155.1 | 104.2 | 161.1 | 64.1 | 0 | 0 | 0 | 0 | 109.5 | ||
| 436 | V | 34.2 | Very low | 39.7 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 78% | 0.776 | 68% | 0.683 | S | S | * | * | trans | -17.7 | 124.2 | 179.8 | -175.5 | 0 | 0 | 0 | 0 | 116.6 | E438 | V436-E438 HydrophobicContact CG1-CB 4.41Å; V436-E438 PolarHBondContact O-N 3.01Å | ||
| 437 | R | 27.6 | Very low | 38.3 | Very low | 239 Ų | 239 | 130.9 Ų | 130.9 | 90% | 0.902 | 69% | 0.685 | S | S | * | * | trans | -86.6 | 72.5 | 173.1 | -176.4 | -170.7 | 175.8 | -178.4 | -2.1 | 110.3 | S439 | R437-S439 PolarHBondContact O-N 3.27Š| ||
| 438 | E | 31.4 | Very low | 36.9 | Very low | 147 Ų | 147 | 138.1 Ų | 138.1 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | trans | -69.3 | 126.2 | -178.8 | -167.7 | 50.3 | -121.7 | 0 | 0 | 111.3 | V436 | V436-E438 HydrophobicContact CG1-CB 4.41Å; V436-E438 PolarHBondContact O-N 3.01Å | ||
| 439 | S | 30.3 | Very low | 35.7 | Very low | 93 Ų | 93 | 138.1 Ų | 138.1 | 65% | 0.65 | 73% | 0.731 | S | S | * | * | trans | -128.2 | 75.9 | -164.8 | 177.3 | 0 | 0 | 0 | 0 | 111.7 | R437 R441 | R437-S439 PolarHBondContact O-N 3.27Å; S439-R441 PolarHBondContact O-N 3.18Å | ||
| 440 | R | 30.9 | Very low | 34.6 | Very low | 236 Ų | 236 | 144.5 Ų | 144.5 | 89% | 0.891 | 75% | 0.75 | S | S | * | * | trans | -70.1 | 122.1 | 175.3 | -68 | -172.5 | 176.4 | -164.9 | -3.7 | 111.4 | ||||
| 441 | R | 33.2 | Very low | 33.8 | Very low | 227 Ų | 227 | 144.3 Ų | 144.3 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | trans | -96.4 | 159.6 | 156.5 | -86.7 | -174.5 | 179.5 | 155 | -1.4 | 110.5 | S439 | S439-R441 PolarHBondContact O-N 3.18Š| ||
| 442 | D | 32.1 | Very low | 33.5 | Very low | 133 Ų | 133 | 146 Ų | 146 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | -36.1 | 137.6 | 173.5 | -44.5 | -86.5 | 0 | 0 | 0 | 115.8 | ||||
| 443 | H | 39.7 | Very low | 33.1 | Very low | 171 Ų | 171 | 147.6 Ų | 147.6 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | -163.8 | 123.4 | 109 | -95.5 | -48.3 | 0 | 0 | 0 | 113.8 | |||||
| 444 | H | 34.6 | Very low | 33 | Very low | 147 Ų | 147 | 150.6 Ų | 150.6 | 68% | 0.681 | 76% | 0.764 | S | S | * | * | trans | 39.2 | 123.5 | 142 | -73.7 | -51.8 | 0 | 0 | 0 | 124.9 | ||||
| 445 | N | 32 | Very low | 32.9 | Very low | 111 Ų | 111 | 151.3 Ų | 151.3 | 59% | 0.594 | 76% | 0.758 | S | S | * | * | 83.2 | 120.6 | 121.3 | -65 | 1.1 | 0 | 0 | 0 | 122 | |||||
| 446 | Q | 35 | Very low | 32.8 | Very low | 168 Ų | 168 | 153 Ų | 153 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | 70.2 | 145.4 | 130 | -63.6 | 170.7 | 35 | 0 | 0 | 119 | |||||
| 447 | S | 35 | Very low | 32.5 | Very low | 98 Ų | 98 | 153.2 Ų | 153.2 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | cis | -166.6 | 127.4 | -16.8 | 47.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 448 | D | 33.3 | Very low | 32.4 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 87% | 0.866 | 75% | 0.75 | S | S | * | * | trans | 60.8 | 169.6 | 149.6 | -88.6 | -30.7 | 0 | 0 | 0 | 120.2 | ||||
| 449 | P | 35.1 | Very low | 32.3 | Very low | 96 Ų | 96 | 144 Ų | 144 | 62% | 0.623 | 76% | 0.757 | S | S | * | * | trans | -119.2 | 170.5 | -141.1 | 43.5 | -36.5 | 0 | 0 | 0 | 115.8 | ||||
| 450 | F | 33.7 | Very low | 32.3 | Very low | 205 Ų | 205 | 144.7 Ų | 144.7 | 90% | 0.899 | 76% | 0.757 | S | S | * | * | trans | -159.9 | 175.4 | 132.9 | -108 | -67.9 | 0 | 0 | 0 | 112.1 | ||||
| 451 | T | 33.4 | Very low | 32.3 | Very low | 119 Ų | 119 | 142.5 Ų | 142.5 | 73% | 0.73 | 75% | 0.754 | S | S | * | * | trans | -129.1 | -177.1 | -163.6 | 54.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 452 | P | 35.1 | Very low | 32.1 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 69% | 0.688 | 75% | 0.753 | S | S | * | * | -134.1 | 171.6 | -57.3 | 38.7 | -24.1 | 0 | 0 | 0 | 112.7 | |||||
| 453 | K | 33.7 | Very low | 31.8 | Very low | 180 Ų | 180 | 143 Ų | 143 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | 172.7 | 141.7 | 136.9 | -100.4 | 161.5 | -175.6 | 176.3 | 0 | 113.9 | ||||
| 454 | M | 30 | Very low | 31.2 | Very low | 159 Ų | 159 | 140 Ų | 140 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | 45.5 | 137.5 | 136.7 | -68 | 170.8 | 169.8 | 0 | 0 | 120.6 | ||||
| 455 | N | 29.1 | Very low | 30.9 | Very low | 137 Ų | 137 | 142.6 Ų | 142.6 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | cis | -163.5 | 178.7 | -9 | -135.4 | 3.9 | 0 | 0 | 0 | 110.2 | ||||
| 456 | M | 29.1 | Very low | 30.6 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 74% | 0.739 | 78% | 0.782 | S | S | * | * | trans | 89.4 | 109.8 | 168.9 | -67.5 | -65.8 | 157 | 0 | 0 | 119.5 | ||||
| 457 | T | 27.9 | Very low | 30.2 | Very low | 134 Ų | 134 | 142.2 Ų | 142.2 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | 50.8 | 112.7 | 138.5 | 58.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 458 | G | 25.9 | Very low | 30 | Very low | 72 Ų | 72 | 143.6 Ų | 143.6 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 141.2 | 114.6 | 135.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 459 | S | 28.4 | Very low | 29.7 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | 78.3 | 161.8 | 151.2 | -155.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 460 | V | 30 | Very low | 29.5 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 64% | 0.642 | 79% | 0.794 | S | S | * | * | trans | 80.3 | 84.6 | 163.3 | -159.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 461 | K | 32.1 | Very low | 29.1 | Very low | 190 Ų | 190 | 137.6 Ų | 137.6 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | 66 | 116.5 | 134.5 | -57.7 | 167.7 | -168 | 159.6 | 0 | 121 | ||||
| 462 | S | 28.5 | Very low | 29 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | -151.5 | 134.1 | 122 | -95.9 | 0 | 0 | 0 | 0 | 115.2 | S464 | S462-S464 PolarHBondContact O-N 2.99Š| |||
| 463 | R | 25.9 | Very low | 28.6 | Very low | 251 Ų | 251 | 137 Ų | 137 | 95% | 0.947 | 80% | 0.803 | S | S | * | * | trans | -6.9 | 104.2 | 173.8 | -68.7 | 175.2 | 167.8 | 175.9 | -4.1 | 118 | ||||
| 464 | S | 26.5 | Very low | 28.4 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -126.7 | 144.7 | 151.2 | -74.9 | 0 | 0 | 0 | 0 | 109.4 | S462 S466 | S462-S464 PolarHBondContact O-N 2.99Å; S464-S466 VanDerWaalsContact C-N 3.34Å; S464-S466 PolarHBondContact O-N 3.28Å | ||
| 465 | H | 28.6 | Very low | 28.3 | Very low | 203 Ų | 203 | 136 Ų | 136 | 94% | 0.94 | 80% | 0.801 | S | S | * | * | trans | -89.1 | 61.3 | -165.8 | -160.2 | -59.8 | 0 | 0 | 0 | 112.5 | ||||
| 466 | S | 26 | Very low | 28.6 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -85.9 | 161.3 | -173.2 | 52 | 0 | 0 | 0 | 0 | 114.9 | S464 | S464-S466 VanDerWaalsContact C-N 3.34Å; S464-S466 PolarHBondContact O-N 3.28Å | ||
| 467 | Q | 27.7 | Very low | 29 | Very low | 163 Ų | 163 | 139.4 Ų | 139.4 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -79.4 | 151.8 | -173.1 | -58.6 | -178.7 | 1.8 | 0 | 0 | 113.8 | ||||
| 468 | P | 29.4 | Very low | 29.3 | Very low | 126 Ų | 126 | 141 Ų | 141 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -80.5 | 116 | 154.3 | 32.3 | -28.5 | 0 | 0 | 0 | 110 | ||||
| 469 | L | 27.9 | Very low | 30 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | trans | -76.4 | 155.1 | 166.9 | -106.7 | 68 | 0 | 0 | 0 | 111.1 | ||||
| 470 | A | 30.4 | Very low | 31 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 88% | 0.876 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 26.2 | 104.7 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||
| 471 | G | 26.2 | Very low | 32.5 | Very low | 85 Ų | 85 | 137.8 Ų | 137.8 | 88% | 0.876 | 77% | 0.771 | S | S | * | * | trans | 176.5 | 10.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 472 | A | 29.9 | Very low | 33.7 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -149.6 | 71.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 473 | S | 27.5 | Very low | 35.1 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -76.3 | 152.9 | 163.8 | -170.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 474 | H | 29.8 | Very low | 36.6 | Very low | 147 Ų | 147 | 129.8 Ų | 129.8 | 68% | 0.681 | 74% | 0.737 | S | S | * | * | trans | 57.8 | 95.9 | 177.6 | -83.2 | 43.4 | 0 | 0 | 0 | 116.7 | ||||
| 475 | M | 28.3 | Very low | 38.3 | Very low | 172 Ų | 172 | 127.4 Ų | 127.4 | 85% | 0.847 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -163.9 | 20.5 | 140.1 | -109 | -55.6 | -79 | 0 | 0 | 115.6 | ||
| 476 | H | 33.8 | Very low | 40.1 | Very low | 182 Ų | 182 | 123.1 Ų | 123.1 | 84% | 0.843 | 69% | 0.694 | S | S | * | * | trans | -136.6 | 80.1 | 179.5 | -74.4 | -24.1 | 0 | 0 | 0 | 112.1 | ||||
| 477 | R | 37.4 | Very low | 41.9 | Very low | 176 Ų | 176 | 122.4 Ų | 122.4 | 66% | 0.664 | 68% | 0.679 | S | S | * | * | trans | -120 | 1.5 | 177.4 | -98.4 | -171.7 | 173.7 | -166.5 | -0.2 | 116.1 | ||||
| 478 | F | 36 | Very low | 43.3 | Very low | 168 Ų | 168 | 120.3 Ų | 120.3 | 74% | 0.737 | 67% | 0.669 | S | S | * | * | trans | -127.1 | 73.4 | -174.8 | -58.8 | -69.4 | 0 | 0 | 0 | 112.6 | I485 | F478-I485 HydrophobicContact CD1-CD1 4.18Å; F478-I485 HydrophobicContact CD1-CG1 4.29Å; F478-I485 HydrophobicContact CD1-CG2 4.19Å; F478-I485 HydrophobicContact CE1-CG2 4.22Å | ||
| 479 | S | 39.8 | Very low | 44.7 | Very low | 125 Ų | 125 | 117 Ų | 117 | 87% | 0.874 | 65% | 0.653 | S | S | * | * | trans | -127.1 | 65.5 | 167.2 | 64.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 480 | G | 48.5 | Very low | 45.8 | Very low | 31 Ų | 31 | 116.3 Ų | 116.3 | 32% | 0.32 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -146.8 | 168.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | E484 | G480-E484 WeakPolarHBondContact CA-OE2 3.39Š|
| 481 | T | 62.1 | Low | 46.8 | Very low | 75 Ų | 75 | 113.9 Ų | 113.9 | 46% | 0.46 | 62% | 0.62 | S | S | . | * | trans | -64.4 | 162 | 170.5 | 61.3 | 0 | 0 | 0 | 0 | 111.5 | F483 E484 I485 | T481-F483 PolarHBondContact O-N 3.27Å; T481-E484 PolarHBondContact N-OE2 3.18Å; T481-E484 WeakPolarHBondContact O-CB 3.3Å; T481-E484 PolarHBondContact O-N 3.14Å; T481-E484 VanDerWaalsContact OG1-CB 3.23Å; T481-E484 WeakPolarHBondContact OG1-CB 3.37Å; T481-E484 PolarHBondContact OG1-N 3.42Å; T481-E484 PolarHBondContact OG1-OE2 3.02Å; T481-I485 WeakPolarHBondContact O-CG1 3.4Å; T481-I485 PolarHBondContact O-N 2.9Å | ||
| 482 | L | 58.3 | Low | 48 | Very low | 154 Ų | 154 | 114.1 Ų | 114.1 | 81% | 0.806 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -55.8 | -35.3 | 175 | -89.6 | 165.7 | 0 | 0 | 0 | 112.6 | F486 | L482-F486 VanDerWaalsContact O-CB 3.32Å; L482-F486 WeakPolarHBondContact O-CB 3.21Å; L482-F486 PolarHBondContact O-N 3.4Å |
| 483 | F | 57.1 | Low | 48.6 | Very low | 147 Ų | 147 | 111.2 Ų | 111.2 | 65% | 0.645 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.4 | -42.9 | 174 | -179.9 | -100 | 0 | 0 | 0 | 112.3 | T481 F486 M487 | T481-F483 PolarHBondContact O-N 3.27Å; F483-F486 WeakPolarHBondContact O-CB 3.41Å; F483-F486 PolarHBondContact O-N 3.09Å; F483-M487 HydrophobicContact CD1-CG 4.1Å; F483-M487 HydrophobicContact CE1-CG 3.73Å; F483-M487 HydrophobicContact CE1-SD 4.45Å; F483-M487 HydrophobicContact CE2-CG 4.33Å; F483-M487 HydrophobicContact CZ-CG 3.86Å; F483-M487 HydrophobicContact CZ-SD 4.07Å; F483-M487 WeakPolarHBondContact O-CB 3.33Å; F483-M487 VanDerWaalsContact O-CG 3.26Å; F483-M487 WeakPolarHBondContact O-CG 3.4Å; F483-M487 PolarHBondContact O-N 3.36Å |
| 484 | E | 58 | Low | 49.5 | Very low | 92 Ų | 92 | 111.9 Ų | 111.9 | 43% | 0.43 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.4 | -37.9 | 179.1 | -172.8 | 173.6 | -168.3 | 0 | 0 | 111.9 | G480 T481 M487 H488 | G480-E484 WeakPolarHBondContact CA-OE2 3.39Å; T481-E484 PolarHBondContact N-OE2 3.18Å; T481-E484 WeakPolarHBondContact O-CB 3.3Å; T481-E484 PolarHBondContact O-N 3.14Å; T481-E484 VanDerWaalsContact OG1-CB 3.23Å; T481-E484 WeakPolarHBondContact OG1-CB 3.37Å; T481-E484 PolarHBondContact OG1-N 3.42Å; T481-E484 PolarHBondContact OG1-OE2 3.02Å; E484-M487 PolarHBondContact O-N 2.93Å; E484-H488 WeakPolarHBondContact O-CB 3.49Å; E484-H488 PolarHBondContact O-N 3.4Å |
| 485 | I | 62 | Low | 50 | Low | 57 Ų | 57 | 108.5 Ų | 108.5 | 29% | 0.292 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.2 | -43.6 | 170.3 | -64.5 | 168.6 | 0 | 0 | 0 | 110.5 | F478 T481 H488 A489 | F478-I485 HydrophobicContact CD1-CD1 4.18Å; F478-I485 HydrophobicContact CD1-CG1 4.29Å; F478-I485 HydrophobicContact CD1-CG2 4.19Å; F478-I485 HydrophobicContact CE1-CG2 4.22Å; T481-I485 WeakPolarHBondContact O-CG1 3.4Å; T481-I485 PolarHBondContact O-N 2.9Å; I485-H488 PolarHBondContact O-N 2.95Å; I485-A489 PolarHBondContact O-N 3.2Å |
| 486 | F | 64.9 | Low | 50.5 | Low | 113 Ų | 113 | 105 Ų | 105 | 50% | 0.496 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.3 | -41.5 | 176.4 | -178.7 | -95.3 | 0 | 0 | 0 | 112.5 | L482 F483 A489 R490 | L482-F486 VanDerWaalsContact O-CB 3.32Å; L482-F486 WeakPolarHBondContact O-CB 3.21Å; L482-F486 PolarHBondContact O-N 3.4Å; F483-F486 WeakPolarHBondContact O-CB 3.41Å; F483-F486 PolarHBondContact O-N 3.09Å; F486-A489 PolarHBondContact O-N 3.42Å; F486-R490 WeakPolarHBondContact O-CB 3.32Å; F486-R490 PolarHBondContact O-N 3.15Å |
| 487 | M | 64.1 | Low | 50.7 | Low | 93 Ų | 93 | 103.6 Ų | 103.6 | 46% | 0.458 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64 | -40.3 | 173.4 | -72.9 | -69.5 | -74.3 | 0 | 0 | 111.6 | F483 E484 R490 A491 | F483-M487 HydrophobicContact CD1-CG 4.1Å; F483-M487 HydrophobicContact CE1-CG 3.73Å; F483-M487 HydrophobicContact CE1-SD 4.45Å; F483-M487 HydrophobicContact CE2-CG 4.33Å; F483-M487 HydrophobicContact CZ-CG 3.86Å; F483-M487 HydrophobicContact CZ-SD 4.07Å; F483-M487 WeakPolarHBondContact O-CB 3.33Å; F483-M487 VanDerWaalsContact O-CG 3.26Å; F483-M487 WeakPolarHBondContact O-CG 3.4Å; F483-M487 PolarHBondContact O-N 3.36Å; E484-M487 PolarHBondContact O-N 2.93Å; M487-R490 PolarHBondContact O-N 3.42Å; M487-A491 WeakPolarHBondContact O-CB 3.35Å; M487-A491 PolarHBondContact O-N 3.14Å |
| 488 | H | 58 | Low | 50.5 | Low | 119 Ų | 119 | 98.3 Ų | 98.3 | 55% | 0.551 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.2 | -41.2 | 174 | -116.9 | -58.4 | 0 | 0 | 0 | 112.5 | E484 I485 A491 Q492 | E484-H488 WeakPolarHBondContact O-CB 3.49Å; E484-H488 PolarHBondContact O-N 3.4Å; I485-H488 PolarHBondContact O-N 2.95Å; H488-A491 PolarHBondContact O-N 2.77Å; H488-Q492 WeakPolarHBondContact O-CB 3.39Å; H488-Q492 WeakPolarHBondContact O-CG 3.24Å; H488-Q492 PolarHBondContact O-N 2.78Å |
| 489 | A | 57.8 | Low | 50.3 | Low | 57 Ų | 57 | 96.5 Ų | 96.5 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.4 | -39.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I485 F486 Q492 G493 | I485-A489 PolarHBondContact O-N 3.2Å; F486-A489 PolarHBondContact O-N 3.42Å; A489-Q492 PolarHBondContact O-N 3.43Å; A489-G493 PolarHBondContact O-N 2.88Å |
| 490 | R | 51.2 | Low | 49.8 | Very low | 130 Ų | 130 | 98.8 Ų | 98.8 | 49% | 0.491 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.8 | -41.8 | 175.2 | -170.6 | 176.5 | -175.9 | 175.9 | 2.4 | 112.2 | F486 M487 G493 I494 | F486-R490 WeakPolarHBondContact O-CB 3.32Å; F486-R490 PolarHBondContact O-N 3.15Å; M487-R490 PolarHBondContact O-N 3.42Å; R490-G493 PolarHBondContact O-N 3.26Å; R490-I494 WeakPolarHBondContact O-CG1 3.21Å; R490-I494 PolarHBondContact O-N 2.89Å |
| 491 | A | 52.8 | Low | 49 | Very low | 56 Ų | 56 | 102.5 Ų | 102.5 | 46% | 0.463 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65 | -42 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M487 H488 I494 A495 | M487-A491 WeakPolarHBondContact O-CB 3.35Å; M487-A491 PolarHBondContact O-N 3.14Å; H488-A491 PolarHBondContact O-N 2.77Å; A491-I494 PolarHBondContact O-N 3.29Å; A491-A495 PolarHBondContact O-N 3.39Å; A491-A495 VanDerWaalsContact O-N 3.08Å |
| 492 | Q | 50.9 | Low | 47.4 | Very low | 90 Ų | 90 | 105.6 Ų | 105.6 | 42% | 0.421 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65 | -39.6 | 174.1 | -73.3 | 169.7 | 6.7 | 0 | 0 | 111.6 | H488 A489 I494 A495 S496 | H488-Q492 WeakPolarHBondContact O-CB 3.39Å; H488-Q492 WeakPolarHBondContact O-CG 3.24Å; H488-Q492 PolarHBondContact O-N 2.78Å; A489-Q492 PolarHBondContact O-N 3.43Å; Q492-I494 PolarHBondContact O-N 3.1Å; Q492-A495 PolarHBondContact O-N 2.98Å; Q492-S496 WeakPolarHBondContact O-CB 3.29Å; Q492-S496 PolarHBondContact O-N 2.76Å; Q492-S496 PolarHBondContact O-OG 3.13Å |
| 493 | G | 41.8 | Very low | 46.1 | Very low | 41 Ų | 41 | 104.7 Ų | 104.7 | 42% | 0.423 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.8 | -19 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A489 R490 | A489-G493 PolarHBondContact O-N 2.88Å; R490-G493 PolarHBondContact O-N 3.26Å |
| 494 | I | 46.4 | Very low | 44.9 | Very low | 125 Ų | 125 | 103.5 Ų | 103.5 | 64% | 0.641 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -89.7 | -38.4 | 172.5 | -64.3 | 164 | 0 | 0 | 0 | 110.5 | R490 A491 Q492 | R490-I494 WeakPolarHBondContact O-CG1 3.21Å; R490-I494 PolarHBondContact O-N 2.89Å; A491-I494 PolarHBondContact O-N 3.29Å; Q492-I494 PolarHBondContact O-N 3.1Å |
| 495 | A | 41.1 | Very low | 43.5 | Very low | 75 Ų | 75 | 103.2 Ų | 103.2 | 62% | 0.62 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.7 | -34.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A491 Q492 L497 | A491-A495 PolarHBondContact O-N 3.39Å; A491-A495 VanDerWaalsContact O-N 3.08Å; Q492-A495 PolarHBondContact O-N 2.98Å; A495-L497 PolarHBondContact O-N 2.71Å |
| 496 | S | 38.3 | Very low | 41.9 | Very low | 99 Ų | 99 | 106.8 Ų | 106.8 | 69% | 0.692 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 11.1 | -178.4 | -62.9 | 0 | 0 | 0 | 0 | 114.8 | Q492 | Q492-S496 WeakPolarHBondContact O-CB 3.29Å; Q492-S496 PolarHBondContact O-N 2.76Å; Q492-S496 PolarHBondContact O-OG 3.13Å |
| 497 | L | 37.3 | Very low | 40.3 | Very low | 153 Ų | 153 | 108.9 Ų | 108.9 | 80% | 0.801 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.6 | 9.3 | -175.4 | -114.1 | 159.9 | 0 | 0 | 0 | 113.7 | A495 | A495-L497 PolarHBondContact O-N 2.71Š|
| 498 | G | 33.7 | Very low | 38.6 | Very low | 65 Ų | 65 | 110.8 Ų | 110.8 | 67% | 0.67 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -126.5 | 1.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 499 | V | 32.4 | Very low | 37.1 | Very low | 129 Ų | 129 | 111.4 Ų | 111.4 | 78% | 0.782 | 68% | 0.681 | S | S | * | * | trans | -141.8 | 88.1 | 178.5 | -170.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 500 | H | 28.7 | Very low | 36 | Very low | 173 Ų | 173 | 116.4 Ų | 116.4 | 80% | 0.801 | 70% | 0.7 | S | S | * | * | trans | -124.8 | 99.1 | 159.4 | -113.1 | -73.2 | 0 | 0 | 0 | 107 | ||||
| 501 | S | 31.7 | Very low | 34.8 | Very low | 110 Ų | 110 | 119.9 Ų | 119.9 | 77% | 0.769 | 72% | 0.719 | S | S | * | * | trans | -156.5 | 109.6 | 172 | -179 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 502 | D | 29.1 | Very low | 33.9 | Very low | 139 Ų | 139 | 122.5 Ų | 122.5 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | -87.4 | 132.7 | -169.7 | -53.6 | -80.4 | 0 | 0 | 0 | 111.8 | ||||
| 503 | C | 31.1 | Very low | 33 | Very low | 135 Ų | 135 | 124.7 Ų | 124.7 | 91% | 0.912 | 74% | 0.739 | S | S | * | * | trans | -160.2 | 135.3 | 148.1 | -107.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 504 | S | 31.9 | Very low | 32.6 | Very low | 122 Ų | 122 | 124.6 Ų | 124.6 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | trans | -76.9 | 163.6 | 174.4 | 45.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 505 | A | 28.6 | Very low | 31.9 | Very low | 86 Ų | 86 | 124.9 Ų | 124.9 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | trans | -93.3 | 157.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 506 | V | 27.8 | Very low | 31.5 | Very low | 133 Ų | 133 | 124.7 Ų | 124.7 | 81% | 0.806 | 74% | 0.736 | S | S | * | * | trans | 58.2 | 127.9 | 165.2 | -63.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 507 | D | 31.2 | Very low | 31.2 | Very low | 157 Ų | 157 | 124.3 Ų | 124.3 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | -145 | -166.1 | 74.5 | -133.7 | -39.6 | 0 | 0 | 0 | 115.9 | |||||
| 508 | L | 29 | Very low | 30.8 | Very low | 132 Ų | 132 | 122.4 Ų | 122.4 | 69% | 0.691 | 74% | 0.738 | S | S | * | * | trans | -102.1 | 162.7 | -158 | -129.6 | 70.6 | 0 | 0 | 0 | 116.8 | ||||
| 509 | N | 27.4 | Very low | 30.6 | Very low | 132 Ų | 132 | 123.4 Ų | 123.4 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | trans | 71.4 | 110.7 | 159.3 | -51 | -32.5 | 0 | 0 | 0 | 119.9 | ||||
| 510 | D | 33.5 | Very low | 30.5 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 87% | 0.872 | 75% | 0.746 | S | S | * | * | -179.9 | 164.5 | 103.6 | -94 | -18.1 | 0 | 0 | 0 | 113.6 | |||||
| 511 | F | 27.1 | Very low | 30.5 | Very low | 203 Ų | 203 | 125.4 Ų | 125.4 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | trans | -141.6 | 156.6 | -176.4 | -94.2 | -72.6 | 0 | 0 | 0 | 108.6 | ||||
| 512 | P | 32.8 | Very low | 30.5 | Very low | 110 Ų | 110 | 128.1 Ų | 128.1 | 71% | 0.714 | 75% | 0.751 | S | S | * | * | -160.6 | 167.4 | 56.8 | 42.5 | -19.9 | 0 | 0 | 0 | 121.3 | |||||
| 513 | K | 32.1 | Very low | 30.8 | Very low | 136 Ų | 136 | 127 Ų | 127 | 59% | 0.591 | 75% | 0.751 | S | S | * | * | trans | 42.2 | 131.4 | 139.8 | -63.7 | 175.1 | 155.8 | -169.5 | 0 | 123.3 | V136 N137 | V136-K513 HydrophobicContact CG2-CB 3.8Å; V136-K513 HydrophobicContact CG2-CD 3.62Å; V136-K513 HydrophobicContact CG2-CG 3.61Å; N137-K513 PolarHBondContact OD1-NZ 3.28Å | ||
| 514 | G | 32.9 | Very low | 30.9 | Very low | 40 Ų | 40 | 124.7 Ų | 124.7 | 41% | 0.412 | 74% | 0.742 | S | S | . | * | trans | -172.5 | 160.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | S134 | S134-G514 WeakPolarHBondContact CB-O 3.36Å; S134-G514 PolarHBondContact OG-O 3.22Å | ||
| 515 | N | 32 | Very low | 31 | Very low | 130 Ų | 130 | 126.3 Ų | 126.3 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | trans | -108.5 | 172.8 | -158.9 | -76.6 | 27.5 | 0 | 0 | 0 | 115.3 | P135 | P135-N515 WeakPolarHBondContact CG-OD1 3.35Š| ||
| 516 | S | 32.1 | Very low | 31.1 | Very low | 71 Ų | 71 | 130 Ų | 130 | 50% | 0.497 | 74% | 0.742 | S | S | . | * | cis | -177.9 | 165 | -24.6 | -81.4 | 0 | 0 | 0 | 0 | 111.3 | P135 | P135-S516 WeakPolarHBondContact CD-OG 3.45Š| ||
| 517 | A | 32.2 | Very low | 31.3 | Very low | 91 Ų | 91 | 129 Ų | 129 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | trans | 68.8 | 132.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 518 | S | 30.6 | Very low | 31.4 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | 75.3 | 140.4 | 50.5 | 96.4 | 0 | 0 | 0 | 0 | 114 | |||||
| 519 | A | 28.2 | Very low | 31.6 | Very low | 85 Ų | 85 | 128.9 Ų | 128.9 | 70% | 0.702 | 72% | 0.722 | S | S | * | * | cis | -158.4 | -158.2 | 11.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 520 | Y | 31.3 | Very low | 31.8 | Very low | 232 Ų | 232 | 129.5 Ų | 129.5 | 91% | 0.91 | 72% | 0.72 | S | S | * | * | trans | 96.4 | 96.2 | 171.4 | -69.4 | -78.8 | 0 | 0 | 0 | 119.9 | ||||
| 521 | S | 28.8 | Very low | 31.9 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 78% | 0.783 | 71% | 0.714 | S | S | * | * | trans | -115.8 | 147.3 | 152.9 | -46.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 522 | N | 31.1 | Very low | 32.2 | Very low | 167 Ų | 167 | 123.3 Ų | 123.3 | 89% | 0.893 | 70% | 0.704 | S | S | * | * | trans | -171 | 167.2 | 150.3 | -105.1 | -8.6 | 0 | 0 | 0 | 113.5 | ||||
| 523 | P | 35.8 | Very low | 32.2 | Very low | 116 Ų | 116 | 123.9 Ų | 123.9 | 75% | 0.753 | 70% | 0.701 | S | S | * | * | trans | -129.4 | -171.6 | -150.6 | 45.6 | -31.7 | 0 | 0 | 0 | 115.3 | ||||
| 524 | A | 32.4 | Very low | 32.2 | Very low | 87 Ų | 87 | 127.2 Ų | 127.2 | 72% | 0.719 | 71% | 0.71 | S | S | * | * | trans | -153.1 | 150 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 525 | H | 35.1 | Very low | 32.2 | Very low | 155 Ų | 155 | 129.2 Ų | 129.2 | 72% | 0.718 | 72% | 0.722 | S | S | * | * | cis | -153.9 | 139 | -13.5 | -128.4 | -70 | 0 | 0 | 0 | 108.4 | I527 | H525-I527 HydrophobicContact CB-CG1 4.18Š| ||
| 526 | I | 29.7 | Very low | 32 | Very low | 163 Ų | 163 | 130 Ų | 130 | 84% | 0.836 | 73% | 0.726 | S | S | * | * | trans | -98.9 | 146.1 | 147.4 | -65.7 | 173.6 | 0 | 0 | 0 | 105.4 | ||||
| 527 | I | 33 | Very low | 31.9 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 59% | 0.585 | 74% | 0.737 | S | S | * | * | trans | -129.4 | 149.5 | -173.4 | -33.1 | 178.2 | 0 | 0 | 0 | 109.2 | H525 | H525-I527 HydrophobicContact CB-CG1 4.18Š| ||
| 528 | H | 31.7 | Very low | 31.7 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | trans | 76 | 128.7 | 173.5 | -58.6 | -72.5 | 0 | 0 | 0 | 115.3 | ||||
| 529 | Q | 33.2 | Very low | 31.7 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 63% | 0.631 | 74% | 0.736 | S | S | * | * | cis | -155.6 | 173.8 | -5.3 | -159.1 | 144.8 | -19.3 | 0 | 0 | 112.8 | ||||
| 530 | E | 32.1 | Very low | 31.7 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | trans | -30.6 | 156 | 162.9 | -62.9 | 100.8 | -121.9 | 0 | 0 | 115.4 | ||||
| 531 | D | 34.7 | Very low | 31.6 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | cis | -152.9 | 173.9 | 31.8 | -143.1 | -31.3 | 0 | 0 | 0 | 115 | ||||
| 532 | S | 33.6 | Very low | 31.6 | Very low | 98 Ų | 98 | 143 Ų | 143 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | trans | -40.5 | 161.1 | 165.4 | -38.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 533 | D | 33.9 | Very low | 31.6 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 65% | 0.647 | 73% | 0.726 | S | S | * | * | cis | -159.3 | 168.2 | 23.9 | -161.7 | 9.6 | 0 | 0 | 0 | 112.4 | ||||
| 534 | R | 32.3 | Very low | 31.2 | Very low | 207 Ų | 207 | 145.2 Ų | 145.2 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | trans | 43.3 | 107.8 | 156 | -84 | 175.3 | 172.6 | 88 | 0.4 | 121.9 | ||||
| 535 | A | 31.4 | Very low | 31.1 | Very low | 81 Ų | 81 | 146.1 Ų | 146.1 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | 76.7 | 124.5 | 115.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 536 | D | 28.4 | Very low | 30.7 | Very low | 146 Ų | 146 | 147.3 Ų | 147.3 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | trans | 77.7 | 130 | 138.2 | -68.2 | -21.4 | 0 | 0 | 0 | 123.1 | ||||
| 537 | I | 30.4 | Very low | 30.7 | Very low | 142 Ų | 142 | 142.8 Ų | 142.8 | 73% | 0.728 | 73% | 0.732 | S | S | * | * | trans | 76 | 99 | 147.4 | -63 | 163.4 | 0 | 0 | 0 | 118.2 | ||||
| 538 | L | 28.2 | Very low | 30.5 | Very low | 158 Ų | 158 | 143 Ų | 143 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | trans | 74.1 | 155.9 | 143.2 | -69.1 | 172.7 | 0 | 0 | 0 | 121 | ||||
| 539 | S | 30.1 | Very low | 30.2 | Very low | 98 Ų | 98 | 140.9 Ų | 140.9 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | trans | 76.4 | 109.5 | 153.8 | -61 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 540 | N | 27.9 | Very low | 30.2 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | trans | 43.8 | 107.3 | 135.8 | -66.4 | -26.2 | 0 | 0 | 0 | 118.7 | ||||
| 541 | R | 29.4 | Very low | 30 | Very low | 235 Ų | 235 | 140.8 Ų | 140.8 | 89% | 0.887 | 76% | 0.763 | S | S | * | * | -157.5 | 124.5 | 118 | -102.1 | 141.2 | -154.9 | -114.3 | 7.1 | 115.5 | |||||
| 542 | Y | 30.2 | Very low | 29.6 | Very low | 200 Ų | 200 | 139.3 Ų | 139.3 | 78% | 0.784 | 76% | 0.76 | S | S | * | * | 46.8 | 116.4 | 129.3 | -74.2 | -109.3 | 0 | 0 | 0 | 120.9 | |||||
| 543 | N | 29.5 | Very low | 29.2 | Very low | 118 Ų | 118 | 144.9 Ų | 144.9 | 63% | 0.631 | 77% | 0.767 | S | S | * | * | 68.1 | 107.2 | 126.2 | -64.7 | 3.3 | 0 | 0 | 0 | 121.9 | |||||
| 544 | Y | 28.5 | Very low | 29 | Very low | 212 Ų | 212 | 146.4 Ų | 146.4 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | 63.1 | 167.2 | 116.4 | -77.5 | -62.8 | 0 | 0 | 0 | 121 | |||||
| 545 | P | 30.8 | Very low | 28.7 | Very low | 106 Ų | 106 | 142 Ų | 142 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | cis | -135.5 | 85.9 | -22.1 | 31 | -8.7 | 0 | 0 | 0 | 112.1 | ||||
| 546 | L | 26.5 | Very low | 28.6 | Very low | 181 Ų | 181 | 141.2 Ų | 141.2 | 95% | 0.948 | 77% | 0.774 | S | S | * | * | trans | -131 | 134 | 178.6 | -120.3 | 75.4 | 0 | 0 | 0 | 111.8 | ||||
| 547 | G | 28 | Very low | 28.6 | Very low | 68 Ų | 68 | 139 Ų | 139 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 136.8 | 93.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 548 | V | 29.2 | Very low | 28.5 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | trans | 37.2 | 88.5 | 145.1 | -155.9 | 0 | 0 | 0 | 0 | 117.5 | M550 | V548-M550 HydrophobicContact CG1-CE 3.97Å; V548-M550 HydrophobicContact CG1-CG 3.83Å; V548-M550 HydrophobicContact CG1-SD 4.31Å; V548-M550 PolarHBondContact O-N 3.4Å | ||
| 549 | A | 26.2 | Very low | 28.4 | Very low | 107 Ų | 107 | 143 Ų | 143 | 88% | 0.884 | 78% | 0.775 | S | S | * | * | trans | -73.1 | 68.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S551 | A549-S551 PolarHBondContact O-N 2.76Š| ||
| 550 | M | 32.2 | Very low | 28.2 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | -57 | 133.5 | 165.5 | -75 | -63.6 | -176.6 | 0 | 0 | 109.5 | V548 P552 | V548-M550 HydrophobicContact CG1-CE 3.97Å; V548-M550 HydrophobicContact CG1-CG 3.83Å; V548-M550 HydrophobicContact CG1-SD 4.31Å; V548-M550 PolarHBondContact O-N 3.4Å; M550-P552 VanDerWaalsContact O-CD 3.24Å; M550-P552 WeakPolarHBondContact O-CD 3.42Å | ||
| 551 | S | 28.8 | Very low | 28.2 | Very low | 126 Ų | 126 | 144 Ų | 144 | 88% | 0.881 | 77% | 0.768 | S | S | * | * | trans | -116.8 | 74.7 | 174 | -164.4 | 0 | 0 | 0 | 0 | 110.9 | A549 | A549-S551 PolarHBondContact O-N 2.76Š| ||
| 552 | P | 27.1 | Very low | 28 | Very low | 106 Ų | 106 | 140 Ų | 140 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | trans | -92.1 | 160.9 | -177.1 | 37.7 | -35.5 | 0 | 0 | 0 | 113.1 | M550 | M550-P552 VanDerWaalsContact O-CD 3.24Å; M550-P552 WeakPolarHBondContact O-CD 3.42Å | ||
| 553 | R | 24.4 | Very low | 27.8 | Very low | 216 Ų | 216 | 139.4 Ų | 139.4 | 82% | 0.815 | 77% | 0.766 | S | S | * | * | trans | -75.8 | 128.8 | -173.9 | -58.5 | 160.5 | -179.1 | 147 | -0.5 | 112.5 | ||||
| 554 | I | 28.9 | Very low | 27.6 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -135 | 113.3 | 156.2 | -56.4 | 178 | 0 | 0 | 0 | 105.2 | ||||
| 555 | S | 27 | Very low | 27.5 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | cis | 66.8 | 87.6 | 7.7 | -151.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 556 | G | 28.2 | Very low | 27.6 | Very low | 65 Ų | 65 | 131.8 Ų | 131.8 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | trans | 120.7 | 134.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 557 | A | 29 | Very low | 27.8 | Very low | 99 Ų | 99 | 128.4 Ų | 128.4 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | cis | -156 | 176.6 | -9.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | K559 | A557-K559 PolarHBondContact O-N 3.13Š| ||
| 558 | R | 28.9 | Very low | 28 | Very low | 231 Ų | 231 | 130.3 Ų | 130.3 | 87% | 0.872 | 75% | 0.747 | S | S | * | * | trans | -55.5 | 124.1 | 165 | -70.7 | 169 | 166.7 | 172.1 | -7.1 | 110.1 | S560 | R558-S560 PolarHBondContact O-OG 3.07Š| ||
| 559 | K | 26.2 | Very low | 28.1 | Very low | 154 Ų | 154 | 135 Ų | 135 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | -106.2 | 123 | 127.7 | -63.6 | -176.5 | -178.8 | -178 | 0 | 104.3 | A557 Y561 | A557-K559 PolarHBondContact O-N 3.13Å; K559-Y561 HydrophobicContact CB-CD2 3.87Å; K559-Y561 HydrophobicContact CB-CE2 3.79Å; K559-Y561 HydrophobicContact CD-CE1 4.31Å; K559-Y561 HydrophobicContact CD-CE2 3.79Å; K559-Y561 WeakPolarHBondContact CD-OH 3.45Å; K559-Y561 HydrophobicContact CG-CE2 4.44Å | |||
| 560 | S | 25.6 | Very low | 28.2 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | cis | 52.8 | 45.7 | 22.1 | 81.6 | 0 | 0 | 0 | 0 | 113.7 | R558 L562 | R558-S560 PolarHBondContact O-OG 3.07Å; S560-L562 VanDerWaalsContact C-N 3.27Å; S560-L562 PolarHBondContact O-N 3.22Å | ||
| 561 | Y | 27.8 | Very low | 28 | Very low | 168 Ų | 168 | 138.3 Ų | 138.3 | 66% | 0.659 | 75% | 0.752 | S | S | * | * | trans | -73.2 | 90.3 | 147.6 | -72.6 | -76.9 | 0 | 0 | 0 | 108.3 | K559 F563 | K559-Y561 HydrophobicContact CB-CD2 3.87Å; K559-Y561 HydrophobicContact CB-CE2 3.79Å; K559-Y561 HydrophobicContact CD-CE1 4.31Å; K559-Y561 HydrophobicContact CD-CE2 3.79Å; K559-Y561 WeakPolarHBondContact CD-OH 3.45Å; K559-Y561 HydrophobicContact CG-CE2 4.44Å; Y561-F563 HydrophobicContact CD1-CE2 4.46Å; Y561-F563 PolarHBondContact O-N 2.98Å | ||
| 562 | L | 24.9 | Very low | 28.2 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | trans | -73.5 | 98.2 | 154.5 | -85.3 | 168.8 | 0 | 0 | 0 | 107.3 | S560 A564 | S560-L562 VanDerWaalsContact C-N 3.27Å; S560-L562 PolarHBondContact O-N 3.22Å; L562-A564 HydrophobicContact CB-CB 4.08Å | ||
| 563 | F | 26.7 | Very low | 28.5 | Very low | 187 Ų | 187 | 137.3 Ų | 137.3 | 82% | 0.82 | 74% | 0.743 | S | S | * | * | trans | -109 | 109.2 | 142.4 | -79.1 | -83.8 | 0 | 0 | 0 | 104.8 | Y561 | Y561-F563 HydrophobicContact CD1-CE2 4.46Å; Y561-F563 PolarHBondContact O-N 2.98Å | ||
| 564 | A | 25.9 | Very low | 28.8 | Very low | 75 Ų | 75 | 135.5 Ų | 135.5 | 62% | 0.62 | 74% | 0.744 | S | S | * | * | cis | 62.5 | 99.8 | 9.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L562 | L562-A564 HydrophobicContact CB-CB 4.08Š| ||
| 565 | G | 26.3 | Very low | 28.7 | Very low | 64 Ų | 64 | 135.1 Ų | 135.1 | 66% | 0.66 | 74% | 0.743 | S | S | * | * | trans | 109.2 | 123.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 566 | T | 32.9 | Very low | 28.8 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 83% | 0.834 | 74% | 0.741 | S | S | * | * | trans | 49.9 | 104.1 | 155.8 | 55.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 567 | D | 29.1 | Very low | 29 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 59% | 0.594 | 75% | 0.752 | S | S | * | * | cis | 47.1 | 113 | 44.1 | -153.4 | 19.9 | 0 | 0 | 0 | 110.9 | R569 | D567-R569 PolarHBondContact OD1-N 3.12Š| ||
| 568 | P | 32.9 | Very low | 29 | Very low | 108 Ų | 108 | 148.2 Ų | 148.2 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | -131.5 | 131.5 | 86.7 | 15.6 | 4.9 | 0 | 0 | 0 | 115.5 | |||||
| 569 | R | 32 | Very low | 29 | Very low | 216 Ų | 216 | 145 Ų | 145 | 82% | 0.815 | 75% | 0.751 | S | S | * | * | trans | 81.4 | 106.7 | 149.4 | -58.9 | 159.2 | -167.3 | -162.6 | 0.8 | 113.4 | D567 | D567-R569 PolarHBondContact OD1-N 3.12Š| ||
| 570 | R | 27 | Very low | 29.3 | Very low | 207 Ų | 207 | 145.6 Ų | 145.6 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | 65.8 | 145.3 | 57.1 | -60.6 | -178.6 | 171.4 | -136.4 | 0.3 | 112.7 | |||||
| 571 | S | 28.5 | Very low | 29.7 | Very low | 121 Ų | 121 | 149.5 Ų | 149.5 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | 62.2 | 130.4 | -175 | 60.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 572 | S | 32.5 | Very low | 29.7 | Very low | 96 Ų | 96 | 152.2 Ų | 152.2 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | cis | -157.7 | 165.5 | -11.9 | 56.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 573 | T | 34.8 | Very low | 29.9 | Very low | 116 Ų | 116 | 153.4 Ų | 153.4 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | trans | 42 | 93.7 | 146.6 | 54.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 574 | E | 29 | Very low | 30.1 | Very low | 178 Ų | 178 | 149.5 Ų | 149.5 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | S | Bend | 32 | 116.3 | 116.3 | -164.6 | 169.5 | -152.3 | 0 | 0 | 117.7 | |||
| 575 | N | 27 | Very low | 30.2 | Very low | 144 Ų | 144 | 155.3 Ų | 155.3 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | 83 | 83.1 | -174.9 | -50.1 | -76 | 0 | 0 | 0 | 115.9 | ||||
| 576 | D | 29 | Very low | 30.5 | Very low | 143 Ų | 143 | 159.1 Ų | 159.1 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | trans | -154.8 | 81.8 | 141.2 | -112 | -18.9 | 0 | 0 | 0 | 112.9 | ||||
| 577 | K | 32.5 | Very low | 30.2 | Very low | 205 Ų | 205 | 162.1 Ų | 162.1 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -140.7 | 36.2 | 151.2 | -114.9 | -175 | -174.8 | -176.7 | 0 | 111.4 | ||
| 578 | Y | 29.9 | Very low | 30.3 | Very low | 206 Ų | 206 | 162 Ų | 162 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -141.7 | 152 | 168.2 | -77.8 | -78.1 | 0 | 0 | 0 | 107.2 | ||
| 579 | L | 29.1 | Very low | 30.1 | Very low | 164 Ų | 164 | 161.1 Ų | 161.1 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | 82.3 | 161.2 | -172 | -50.4 | 176.8 | 0 | 0 | 0 | 115.2 | ||||
| 580 | L | 33.1 | Very low | 30 | Very low | 166 Ų | 166 | 160.8 Ų | 160.8 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | 60 | 113.7 | -152.4 | -51.9 | -177.5 | 0 | 0 | 0 | 112 | ||||
| 581 | L | 33 | Very low | 30.2 | Very low | 177 Ų | 177 | 154.8 Ų | 154.8 | 93% | 0.927 | 79% | 0.785 | S | S | * | * | cis | -102 | 151.6 | 12.2 | -77.8 | 155.3 | 0 | 0 | 0 | 114.2 | ||||
| 582 | R | 27.4 | Very low | 30.3 | Very low | 224 Ų | 224 | 156.6 Ų | 156.6 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | -79 | 167.1 | 163.2 | -70.4 | 174.7 | 165.2 | 138 | -7.7 | 110 | ||||
| 583 | K | 29.7 | Very low | 30.3 | Very low | 178 Ų | 178 | 159.2 Ų | 159.2 | 77% | 0.774 | 79% | 0.79 | S | S | * | * | trans | 74 | 143.5 | 167 | -60.9 | -179.5 | 163.1 | -111 | 0 | 115.3 | ||||
| 584 | E | 32 | Very low | 30 | Very low | 105 Ų | 105 | 162 Ų | 162 | 49% | 0.491 | 80% | 0.795 | S | S | . | * | cis | -156.4 | 146.3 | -12.7 | -122.1 | 174.2 | -117 | 0 | 0 | 112.4 | ||||
| 585 | R | 27.4 | Very low | 30.1 | Very low | 196 Ų | 196 | 163.2 Ų | 163.2 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | trans | 55.5 | 140.4 | 143.2 | -86.5 | -170.3 | -88.9 | -153.4 | 0.2 | 122.5 | ||||
| 586 | I | 32.1 | Very low | 30.3 | Very low | 144 Ų | 144 | 161.5 Ų | 161.5 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | trans | 86.3 | 90.4 | 147.5 | -65.2 | 159.5 | 0 | 0 | 0 | 118.1 | ||||
| 587 | F | 25.7 | Very low | 30.5 | Very low | 200 Ų | 200 | 160.8 Ų | 160.8 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -48.8 | 143.4 | 134.7 | -81.6 | -89.4 | 0 | 0 | 0 | 109.9 | ||||
| 588 | P | 31.8 | Very low | 30.4 | Very low | 109 Ų | 109 | 159.1 Ų | 159.1 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | -152.5 | 175.7 | 73 | 38.6 | -19.3 | 0 | 0 | 0 | 114.5 | |||||
| 589 | S | 29.8 | Very low | 30.5 | Very low | 88 Ų | 88 | 159.4 Ų | 159.4 | 62% | 0.615 | 80% | 0.802 | S | S | * | * | cis | 175.2 | 153.8 | -24.6 | 68.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 590 | K | 28.2 | Very low | 30.5 | Very low | 209 Ų | 209 | 157 Ų | 157 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | 52.6 | 83.2 | 154 | -61.5 | 174.7 | -179.8 | 177.7 | 0 | 118.3 | ||||
| 591 | G | 32.1 | Very low | 30.4 | Very low | 82 Ų | 82 | 154.5 Ų | 154.5 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | -120.3 | 132.2 | 150.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 592 | N | 29.6 | Very low | 30.2 | Very low | 158 Ų | 158 | 151.1 Ų | 151.1 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | -118.1 | 102.4 | -161.4 | -176.1 | 29.6 | 0 | 0 | 0 | 113.1 | ||||
| 593 | I | 33 | Very low | 30.4 | Very low | 151 Ų | 151 | 147.9 Ų | 147.9 | 77% | 0.774 | 79% | 0.787 | S | S | * | * | trans | -138.5 | 134.6 | 172.4 | -58.1 | -178.2 | 0 | 0 | 0 | 109.9 | F595 | I593-F595 HydrophobicContact CG2-CD2 4.35Å; I593-F595 HydrophobicContact CG2-CE2 4.15Å | ||
| 594 | Q | 28.6 | Very low | 30.6 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -84.4 | 142 | 177.5 | -58.9 | 170.8 | -47.7 | 0 | 0 | 111.8 | ||||
| 595 | F | 31.9 | Very low | 30.8 | Very low | 204 Ų | 204 | 145.7 Ų | 145.7 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | trans | -145.4 | 160.7 | 152.2 | -87.5 | -68.5 | 0 | 0 | 0 | 112 | I593 | I593-F595 HydrophobicContact CG2-CD2 4.35Å; I593-F595 HydrophobicContact CG2-CE2 4.15Å | ||
| 596 | S | 30.6 | Very low | 31.1 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -102 | 170.9 | -158.8 | -54.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 597 | P | 33 | Very low | 31.1 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | -83.2 | 158.7 | -165 | 34.2 | -35.9 | 0 | 0 | 0 | 114.4 | ||||
| 598 | L | 31.4 | Very low | 31.2 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | trans | -104.3 | 135.7 | 175.7 | -67.5 | 175.1 | 0 | 0 | 0 | 112.1 | ||||
| 599 | Y | 31.1 | Very low | 31.2 | Very low | 211 Ų | 211 | 145.4 Ų | 145.4 | 83% | 0.827 | 82% | 0.823 | S | S | * | * | trans | -152.6 | 120.1 | 176.4 | -149.1 | -99.3 | 0 | 0 | 0 | 111.5 | ||||
| 600 | T | 29.1 | Very low | 31.2 | Very low | 114 Ų | 114 | 152.4 Ų | 152.4 | 70% | 0.699 | 84% | 0.836 | S | S | * | * | trans | 65.3 | 154.9 | 158.1 | 55.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 601 | S | 31.1 | Very low | 31.3 | Very low | 113 Ų | 113 | 149 Ų | 149 | 79% | 0.79 | 83% | 0.828 | S | S | * | * | trans | 94.4 | 138.7 | 154.5 | 77.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 602 | A | 29.4 | Very low | 31.2 | Very low | 107 Ų | 107 | 155.1 Ų | 155.1 | 88% | 0.884 | 83% | 0.832 | S | S | * | * | trans | -117.8 | 87.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 603 | D | 31.1 | Very low | 31.1 | Very low | 155 Ų | 155 | 151.5 Ų | 151.5 | 83% | 0.829 | 83% | 0.832 | S | S | * | * | trans | -148.8 | 73.9 | 172.7 | -171.9 | 18.7 | 0 | 0 | 0 | 108.2 | ||||
| 604 | A | 33.9 | Very low | 31.1 | Very low | 92 Ų | 92 | 148.5 Ų | 148.5 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | trans | -157.4 | 62.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 605 | V | 34.9 | Very low | 31.2 | Very low | 145 Ų | 145 | 147.7 Ų | 147.7 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -111 | 135.9 | 142.9 | 175.6 | 0 | 0 | 0 | 0 | 106.7 | ||
| 606 | A | 34.1 | Very low | 31.1 | Very low | 90 Ų | 90 | 146.2 Ų | 146.2 | 74% | 0.744 | 82% | 0.819 | S | S | * | * | S | Bend | trans | 56.5 | 77 | -172 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 607 | R | 31.7 | Very low | 31.4 | Very low | 247 Ų | 247 | 146.1 Ų | 146.1 | 93% | 0.932 | 82% | 0.815 | S | S | * | * | -173.4 | 122.3 | 75.2 | -89.7 | 161.5 | 169.9 | 162 | -0.9 | 113.6 | |||||
| 608 | S | 28.4 | Very low | 31.5 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -148.2 | 114.6 | 141.9 | -171.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 609 | M | 31.2 | Very low | 31.6 | Very low | 186 Ų | 186 | 145 Ų | 145 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | -176.7 | 79 | 169.2 | -104 | -79.1 | -89.1 | 0 | 0 | 107.9 | ||||
| 610 | R | 30 | Very low | 31.7 | Very low | 235 Ų | 235 | 141.5 Ų | 141.5 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | -154.8 | 98.4 | 162.5 | -85.3 | -158.8 | 178.7 | -169.3 | -2.7 | 109.4 | ||||
| 611 | N | 30.4 | Very low | 31.7 | Very low | 137 Ų | 137 | 142.2 Ų | 142.2 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | 175.4 | 160 | 121.6 | -84.3 | -8.5 | 0 | 0 | 0 | 109.7 | |||||
| 612 | F | 31.4 | Very low | 31.8 | Very low | 211 Ų | 211 | 141.6 Ų | 141.6 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | 68.2 | 132.4 | -176.9 | -47.3 | -78.8 | 0 | 0 | 0 | 115.4 | ||||
| 613 | G | 27.5 | Very low | 31.8 | Very low | 82 Ų | 82 | 144.7 Ų | 144.7 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | cis | 163.1 | 95 | -13.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 614 | A | 33 | Very low | 31.6 | Very low | 87 Ų | 87 | 144.5 Ų | 144.5 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | trans | -157.5 | 134.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 615 | Q | 30.4 | Very low | 31.5 | Very low | 158 Ų | 158 | 146.2 Ų | 146.2 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | 62 | 121.2 | 60.2 | -68.5 | -172.8 | -10.1 | 0 | 0 | 111.7 | |||||
| 616 | F | 28.9 | Very low | 31 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | cis | -159 | -171.6 | -0.6 | -90.3 | -64.6 | 0 | 0 | 0 | 107 | ||||
| 617 | P | 37.5 | Very low | 30.7 | Very low | 105 Ų | 105 | 144.4 Ų | 144.4 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | cis | -119.5 | 176 | -41 | 37.1 | -23.1 | 0 | 0 | 0 | 112.1 | ||||
| 618 | P | 34.6 | Very low | 30.5 | Very low | 120 Ų | 120 | 144.1 Ų | 144.1 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | -98.6 | 135.7 | 168.2 | 35.7 | -29.1 | 0 | 0 | 0 | 113.3 | ||||
| 619 | L | 35 | Very low | 30.5 | Very low | 155 Ų | 155 | 141.7 Ų | 141.7 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | -158.6 | 155 | 166.5 | -78.3 | 172.3 | 0 | 0 | 0 | 107.3 | ||||
| 620 | D | 31.6 | Very low | 30.5 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | cis | -162.4 | 164.2 | -44 | -135.2 | -29.3 | 0 | 0 | 0 | 108.5 | ||||
| 621 | D | 30.7 | Very low | 30.6 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | trans | 56.1 | 155 | 153.1 | -121 | -31.5 | 0 | 0 | 0 | 125.1 | ||||
| 622 | S | 32.7 | Very low | 30.6 | Very low | 99 Ų | 99 | 137.3 Ų | 137.3 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | trans | 62.3 | 123.8 | 164.7 | 70.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 623 | K | 29.7 | Very low | 30.6 | Very low | 173 Ų | 173 | 132.5 Ų | 132.5 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | cis | 93.3 | 111.1 | 39.9 | -76.1 | 175.3 | 179 | 164.1 | 0 | 114.9 | ||||
| 624 | N | 27.1 | Very low | 30.8 | Very low | 150 Ų | 150 | 134.5 Ų | 134.5 | 80% | 0.802 | 74% | 0.735 | S | S | * | * | trans | 66.9 | 173.3 | 146 | -61.7 | -15.8 | 0 | 0 | 0 | 119.1 | ||||
| 625 | V | 30.5 | Very low | 30.7 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 78% | 0.782 | 74% | 0.735 | S | S | * | * | trans | 68.5 | 99.3 | 170.7 | -167.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 626 | S | 25.1 | Very low | 30.8 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | cis | 69.4 | 147.7 | 47.5 | -161.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 627 | S | 26.9 | Very low | 31 | Very low | 87 Ų | 87 | 139.8 Ų | 139.8 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | trans | 88.5 | 130.1 | 174.7 | -45.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 628 | R | 28.8 | Very low | 30.7 | Very low | 241 Ų | 241 | 138.3 Ų | 138.3 | 91% | 0.909 | 75% | 0.746 | S | S | * | * | trans | 53.5 | 111 | 144.7 | -55.2 | 163.6 | -164.6 | -166 | 2.9 | 116.9 | ||||
| 629 | G | 28.6 | Very low | 30.4 | Very low | 70 Ų | 70 | 140.2 Ų | 140.2 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | cis | 91 | 126.3 | 9.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 630 | L | 30.9 | Very low | 30.2 | Very low | 160 Ų | 160 | 140 Ų | 140 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | trans | -160.2 | 123 | 166.8 | -106.5 | 121.5 | 0 | 0 | 0 | 112.1 | ||||
| 631 | F | 30.4 | Very low | 30.1 | Very low | 167 Ų | 167 | 142.2 Ų | 142.2 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | trans | 46 | 114.2 | 139.3 | -70.4 | -92 | 0 | 0 | 0 | 120.1 | ||||
| 632 | N | 30.9 | Very low | 29.9 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | 89.9 | 148.8 | 80.7 | -86.9 | 28.9 | 0 | 0 | 0 | 113.9 | |||||
| 633 | D | 31.9 | Very low | 29.9 | Very low | 111 Ų | 111 | 146 Ų | 146 | 59% | 0.594 | 77% | 0.773 | S | S | * | * | cis | -166 | 156 | -19 | -167.9 | 15.5 | 0 | 0 | 0 | 109.9 | ||||
| 634 | Q | 32.7 | Very low | 29.9 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 58% | 0.579 | 77% | 0.77 | S | S | * | * | trans | 62.6 | 159.3 | 161.2 | -47.3 | -147.7 | 26.8 | 0 | 0 | 122 | ||||
| 635 | R | 30.6 | Very low | 30.4 | Very low | 188 Ų | 188 | 141.7 Ų | 141.7 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | cis | -166.7 | 158.3 | -32.6 | -102.7 | -166.9 | -174 | 137.7 | -7.7 | 110.7 | ||||
| 636 | K | 31.7 | Very low | 30.3 | Very low | 178 Ų | 178 | 142 Ų | 142 | 77% | 0.774 | 77% | 0.769 | S | S | * | * | trans | 80 | 150.8 | 144.4 | -87.3 | -179.9 | 175.8 | -173.1 | 0 | 121.1 | ||||
| 637 | N | 32.4 | Very low | 30.6 | Very low | 162 Ų | 162 | 149.3 Ų | 149.3 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | trans | 65.6 | 125.1 | 175 | -60.2 | 5.7 | 0 | 0 | 0 | 115.8 | ||||
| 638 | G | 31.3 | Very low | 30.7 | Very low | 75 Ų | 75 | 150 Ų | 150 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | cis | 174.1 | 155.4 | -9.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 639 | N | 29.6 | Very low | 30.7 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | trans | 68.4 | 154.1 | 171.2 | -97.4 | 11.6 | 0 | 0 | 0 | 120.9 | ||||
| 640 | N | 30 | Very low | 30.8 | Very low | 150 Ų | 150 | 151 Ų | 151 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | 70 | 107.3 | 164.8 | -63.1 | 5.8 | 0 | 0 | 0 | 118.8 | ||||
| 641 | Q | 28.8 | Very low | 30.8 | Very low | 186 Ų | 186 | 150.1 Ų | 150.1 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | -72.9 | 134.3 | 164.2 | -59.9 | 164.3 | -9 | 0 | 0 | 110 | ||||
| 642 | N | 28.1 | Very low | 31 | Very low | 159 Ų | 159 | 148.3 Ų | 148.3 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | -179 | 101.2 | 153.9 | -98.6 | -27.7 | 0 | 0 | 0 | 109 | ||||
| 643 | T | 31.2 | Very low | 30.8 | Very low | 148 Ų | 148 | 148 Ų | 148 | 91% | 0.908 | 79% | 0.785 | S | S | * | * | trans | -117.6 | 73.1 | -175.3 | 53.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 644 | S | 31.4 | Very low | 30.8 | Very low | 99 Ų | 99 | 154.3 Ų | 154.3 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -87.2 | 153.2 | 152.4 | -55.1 | 0 | 0 | 0 | 0 | 108.9 | I646 | S644-I646 PolarHBondContact O-N 3.04Š|
| 645 | P | 37.1 | Very low | 30.5 | Very low | 135 Ų | 135 | 155.2 Ų | 155.2 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | trans | -67.6 | 109.4 | -169.6 | 25.5 | -34.1 | 0 | 0 | 0 | 112.8 | ||||
| 646 | I | 29 | Very low | 30.6 | Very low | 136 Ų | 136 | 149.5 Ų | 149.5 | 70% | 0.697 | 81% | 0.808 | S | S | * | * | trans | -72.3 | 150.9 | 160.7 | -41.2 | 171.8 | 0 | 0 | 0 | 107.5 | S644 | S644-I646 PolarHBondContact O-N 3.04Š| ||
| 647 | W | 30.6 | Very low | 30.4 | Very low | 263 Ų | 263 | 146.4 Ų | 146.4 | 100% | 0.996 | 81% | 0.809 | S | S | * | * | -158 | 115.5 | 115 | -92.3 | 3.7 | 0 | 0 | 0 | 109.8 | |||||
| 648 | S | 28.4 | Very low | 30.4 | Very low | 100 Ų | 100 | 144.5 Ų | 144.5 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | trans | -92.1 | 164.5 | 170.8 | -173.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 649 | T | 29.4 | Very low | 30.3 | Very low | 125 Ų | 125 | 145.8 Ų | 145.8 | 77% | 0.767 | 81% | 0.812 | S | S | * | * | trans | -25.2 | 125.5 | 172.4 | 54.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 650 | K | 30.8 | Very low | 30.5 | Very low | 208 Ų | 208 | 142.5 Ų | 142.5 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | trans | -165.5 | 144.6 | 135.5 | -107.6 | 155.6 | -171.7 | 175.3 | 0 | 112 | ||||
| 651 | L | 30.6 | Very low | 30.5 | Very low | 141 Ų | 141 | 146.7 Ų | 146.7 | 74% | 0.738 | 81% | 0.813 | S | S | * | * | trans | -69.3 | 161.9 | 179.8 | -67.6 | 159.6 | 0 | 0 | 0 | 111.7 | L653 | L651-L653 HydrophobicContact CD1-CD1 4.45Å; L651-L653 HydrophobicContact CD1-CG 4.24Å | ||
| 652 | P | 34.3 | Very low | 30.8 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | -121.6 | 133.5 | 112.5 | 34 | -32.5 | 0 | 0 | 0 | 113.2 | |||||
| 653 | L | 27.3 | Very low | 31 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 70% | 0.696 | 80% | 0.799 | S | S | * | * | trans | -79.3 | 134 | 173.3 | -71.3 | 156.2 | 0 | 0 | 0 | 111.2 | L651 | L651-L653 HydrophobicContact CD1-CD1 4.45Å; L651-L653 HydrophobicContact CD1-CG 4.24Å | ||
| 654 | R | 31.7 | Very low | 31 | Very low | 242 Ų | 242 | 140.7 Ų | 140.7 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | trans | -160.2 | 89.4 | 157.7 | -154.1 | 170.8 | -174.4 | 178.1 | 1.2 | 108.9 | ||||
| 655 | N | 27 | Very low | 31 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | 55.1 | 126.4 | 76.5 | -72.2 | 3.1 | 0 | 0 | 0 | 114.5 | |||||
| 656 | G | 32.8 | Very low | 30.8 | Very low | 67 Ų | 67 | 142.2 Ų | 142.2 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | 101.3 | 95.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 657 | S | 27.1 | Very low | 31.1 | Very low | 114 Ų | 114 | 142.6 Ų | 142.6 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | cis | 77.4 | 137 | 26.5 | -43.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 658 | S | 31.7 | Very low | 31 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | 65.6 | 128.1 | -168.9 | -60.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 659 | A | 28.5 | Very low | 31.1 | Very low | 102 Ų | 102 | 145.5 Ų | 145.5 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | cis | 86.6 | 96 | 22.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 660 | A | 33.6 | Very low | 31.2 | Very low | 90 Ų | 90 | 145.1 Ų | 145.1 | 74% | 0.744 | 81% | 0.814 | S | S | * | * | trans | -166.1 | 115.2 | 151.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 661 | Y | 31.7 | Very low | 31.4 | Very low | 237 Ų | 237 | 143 Ų | 143 | 93% | 0.929 | 81% | 0.807 | S | S | * | * | 81.1 | 127.1 | 74 | -97.5 | -71.7 | 0 | 0 | 0 | 115.1 | |||||
| 662 | A | 33.4 | Very low | 31.6 | Very low | 83 Ų | 83 | 142.5 Ų | 142.5 | 69% | 0.686 | 81% | 0.812 | S | S | * | * | trans | 65.1 | 148.9 | 163 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 663 | N | 33 | Very low | 31.5 | Very low | 139 Ų | 139 | 143.6 Ų | 143.6 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | cis | -156.3 | 155.9 | -17.2 | -110 | -12.6 | 0 | 0 | 0 | 110.6 | ||||
| 664 | N | 31.8 | Very low | 31.6 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | trans | 41.8 | 100.6 | 151.6 | -57.9 | -17.4 | 0 | 0 | 0 | 119.4 | ||||
| 665 | C | 31.6 | Very low | 31.5 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 91% | 0.905 | 80% | 0.802 | S | S | * | * | -151.8 | 138.5 | 127.9 | -135.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 666 | T | 33.1 | Very low | 31.6 | Very low | 132 Ų | 132 | 142 Ų | 142 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -76.4 | 137.4 | -167.8 | 49.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 667 | V | 34.7 | Very low | 31.6 | Very low | 145 Ų | 145 | 145 Ų | 145 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | -170.5 | 153.7 | 128.9 | 141.4 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 668 | R | 29.3 | Very low | 31.8 | Very low | 242 Ų | 242 | 144.2 Ų | 144.2 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | trans | -87.8 | 153.9 | -162.7 | -66.3 | -178 | 175.8 | -173.5 | -1.9 | 115.1 | ||||
| 669 | H | 29.8 | Very low | 31.7 | Very low | 182 Ų | 182 | 148.6 Ų | 148.6 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -65.1 | 152.8 | 171.2 | -58.3 | -101 | 0 | 0 | 0 | 113.5 | ||||
| 670 | S | 32.1 | Very low | 31.9 | Very low | 117 Ų | 117 | 148.7 Ų | 148.7 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -147.2 | 123.7 | 156.2 | 49.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 671 | H | 33.7 | Very low | 31.7 | Very low | 163 Ų | 163 | 151.3 Ų | 151.3 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -76.7 | 155 | 167.8 | -75.3 | -111.5 | 0 | 0 | 0 | 110.2 | Q673 | H671-Q673 PolarHBondContact O-N 3.2Š| ||
| 672 | P | 35.7 | Very low | 31.7 | Very low | 131 Ų | 131 | 144.9 Ų | 144.9 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | trans | -68.3 | 95.7 | 159.1 | 30.2 | -32 | 0 | 0 | 0 | 108.9 | ||||
| 673 | Q | 31.4 | Very low | 31.6 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | -70.4 | 153.6 | 176.6 | -89.8 | -161.7 | -22.7 | 0 | 0 | 112.5 | H671 | H671-Q673 PolarHBondContact O-N 3.2Š| ||
| 674 | P | 29.3 | Very low | 31.4 | Very low | 102 Ų | 102 | 145.4 Ų | 145.4 | 66% | 0.662 | 78% | 0.781 | S | S | * | * | trans | -65 | 144.8 | 164.3 | 30.6 | -35.1 | 0 | 0 | 0 | 110.4 | Y676 | P674-Y676 VanDerWaalsContact C-N 3.29Å; P674-Y676 PolarHBondContact O-N 3.36Å | ||
| 675 | L | 30.9 | Very low | 31.3 | Very low | 167 Ų | 167 | 146 Ų | 146 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -79.8 | 74.5 | 179.4 | -72.7 | 176.6 | 0 | 0 | 0 | 112.4 | ||
| 676 | Y | 28.6 | Very low | 31 | Very low | 217 Ų | 217 | 144.2 Ų | 144.2 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | trans | -123.8 | 105.1 | 159.1 | -95 | -84.1 | 0 | 0 | 0 | 109.6 | P674 | P674-Y676 VanDerWaalsContact C-N 3.29Å; P674-Y676 PolarHBondContact O-N 3.36Å | ||
| 677 | L | 31.9 | Very low | 30.8 | Very low | 130 Ų | 130 | 145 Ų | 145 | 68% | 0.681 | 76% | 0.761 | S | S | * | * | trans | -118 | 119.4 | 162.8 | -77.7 | 84.4 | 0 | 0 | 0 | 106 | ||||
| 678 | S | 31.2 | Very low | 30.7 | Very low | 98 Ų | 98 | 145.4 Ų | 145.4 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | 63.6 | 130.1 | 62.7 | 94.5 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 679 | R | 31.2 | Very low | 30.7 | Very low | 214 Ų | 214 | 141 Ų | 141 | 81% | 0.808 | 75% | 0.751 | S | S | * | * | cis | -157.8 | -179.8 | 28.3 | -119.9 | -179.3 | 164 | -163.9 | -4.3 | 108.3 | ||||
| 680 | P | 32 | Very low | 31.1 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | cis | -127.8 | 168.8 | -3.4 | 40.2 | -24.1 | 0 | 0 | 0 | 116 | ||||
| 681 | M | 29.5 | Very low | 31.1 | Very low | 146 Ų | 146 | 139.4 Ų | 139.4 | 72% | 0.719 | 74% | 0.735 | S | S | * | * | 19.8 | 138.5 | 126.7 | -38 | -72.1 | -74.7 | 0 | 0 | 117.8 | |||||
| 682 | S | 31.8 | Very low | 30.9 | Very low | 102 Ų | 102 | 140.5 Ų | 140.5 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | cis | -144.5 | 144.7 | 25.4 | -58 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 683 | A | 30.5 | Very low | 30.9 | Very low | 88 Ų | 88 | 140.3 Ų | 140.3 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | 62.1 | 138.3 | 94.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 684 | L | 29.4 | Very low | 31 | Very low | 145 Ų | 145 | 138.8 Ų | 138.8 | 76% | 0.759 | 72% | 0.718 | S | S | * | * | cis | -165.4 | 151.9 | -4.9 | -117.5 | 171.8 | 0 | 0 | 0 | 109.3 | ||||
| 685 | H | 29.2 | Very low | 31.3 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 73% | 0.731 | 73% | 0.726 | S | S | * | * | trans | 56.2 | 130.7 | 153.5 | -86 | 25.6 | 0 | 0 | 0 | 120.5 | ||||
| 686 | C | 26.2 | Very low | 31.5 | Very low | 96 Ų | 96 | 142.3 Ų | 142.3 | 65% | 0.649 | 72% | 0.715 | S | S | * | * | 71.2 | 148.9 | 76.2 | -58.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 687 | H | 29 | Very low | 31.7 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 69% | 0.69 | 71% | 0.71 | S | S | * | * | cis | -158.6 | -161.8 | 13 | -150.8 | -143.3 | 0 | 0 | 0 | 111.5 | ||||
| 688 | I | 31.8 | Very low | 31.8 | Very low | 152 Ų | 152 | 139 Ų | 139 | 78% | 0.779 | 71% | 0.711 | S | S | * | * | trans | 84 | 108.3 | 153.1 | -68.5 | 148.9 | 0 | 0 | 0 | 118.9 | ||||
| 689 | N | 30.1 | Very low | 31.9 | Very low | 151 Ų | 151 | 142.3 Ų | 142.3 | 81% | 0.807 | 72% | 0.716 | S | S | * | * | trans | -76.2 | -141.5 | 161.3 | -146 | -10.5 | 0 | 0 | 0 | 107.7 | ||||
| 690 | P | 38.4 | Very low | 32 | Very low | 84 Ų | 84 | 141.3 Ų | 141.3 | 55% | 0.545 | 72% | 0.721 | S | S | . | * | cis | -130.1 | -147.4 | -25.5 | 27.6 | -1.1 | 0 | 0 | 0 | 111.1 | ||||
| 691 | K | 31.7 | Very low | 31.7 | Very low | 180 Ų | 180 | 141.7 Ų | 141.7 | 78% | 0.783 | 73% | 0.726 | S | S | * | * | trans | 82.6 | 142 | 154.1 | -73.6 | 166.2 | -175.1 | 173.8 | 0 | 117.2 | ||||
| 692 | R | 29.1 | Very low | 31.9 | Very low | 187 Ų | 187 | 140 Ų | 140 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | cis | -168.7 | 178.4 | -12.7 | -160.4 | -177.6 | 160.2 | 148.2 | -0.1 | 109.3 | E694 | R692-E694 IonicContact CZ-OE1 3.23Å; R692-E694 VanDerWaalsContact CZ-OE1 3.23Å; R692-E694 IonicContact NE-OE1 2.69Å; R692-E694 PolarHBondContact NE-OE1 3.11Å; R692-E694 IonicContact NH2-OE1 2.8Å; R692-E694 PolarHBondContact NH2-OE1 2.97Å | ||
| 693 | N | 34.6 | Very low | 31.7 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 68% | 0.679 | 73% | 0.729 | S | S | * | * | trans | 93.7 | 142.8 | 155.9 | -64 | 5.8 | 0 | 0 | 0 | 117.7 | ||||
| 694 | E | 34.6 | Very low | 31.7 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 55% | 0.551 | 73% | 0.727 | S | S | * | * | cis | -174.9 | 175.2 | -36.1 | -118.8 | 166.7 | -152.2 | 0 | 0 | 108.7 | R692 | R692-E694 IonicContact CZ-OE1 3.23Å; R692-E694 VanDerWaalsContact CZ-OE1 3.23Å; R692-E694 IonicContact NE-OE1 2.69Å; R692-E694 PolarHBondContact NE-OE1 3.11Å; R692-E694 IonicContact NH2-OE1 2.8Å; R692-E694 PolarHBondContact NH2-OE1 2.97Å | ||
| 695 | R | 36.3 | Very low | 31.9 | Very low | 220 Ų | 220 | 142.8 Ų | 142.8 | 83% | 0.83 | 73% | 0.734 | S | S | * | * | trans | 77.6 | 136.1 | 172.2 | -54.4 | -176.5 | -176.8 | 179.2 | -0.4 | 115.3 | ||||
| 696 | N | 35.4 | Very low | 32 | Very low | 123 Ų | 123 | 142 Ų | 142 | 66% | 0.658 | 73% | 0.731 | S | S | * | * | cis | -156.3 | 145.4 | -1.5 | -103.7 | -7.4 | 0 | 0 | 0 | 110.6 | ||||
| 697 | N | 32.2 | Very low | 32.4 | Very low | 137 Ų | 137 | 142.6 Ų | 142.6 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | trans | 50.4 | 136.9 | 137.4 | -63.5 | -0.9 | 0 | 0 | 0 | 120.7 | ||||
| 698 | I | 34.2 | Very low | 32.7 | Very low | 140 Ų | 140 | 140.6 Ų | 140.6 | 72% | 0.718 | 73% | 0.733 | S | S | * | * | cis | -148.4 | 123.8 | 16.4 | -104.1 | 142.3 | 0 | 0 | 0 | 111.2 | ||||
| 699 | Q | 32.2 | Very low | 32.6 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | trans | 32 | 105.1 | 132.4 | -164.2 | -179.7 | 13.8 | 0 | 0 | 121.2 | ||||
| 700 | Q | 32.8 | Very low | 32.6 | Very low | 193 Ų | 193 | 138.3 Ų | 138.3 | 90% | 0.902 | 73% | 0.726 | S | S | * | * | -168.3 | 156 | 116.6 | -101.7 | 165.5 | 54.7 | 0 | 0 | 111.1 | |||||
| 701 | S | 27.1 | Very low | 32.1 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | -134.5 | 178.6 | -169.1 | 63.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 702 | P | 33.5 | Very low | 31.9 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 71% | 0.714 | 73% | 0.727 | S | S | * | * | cis | -136.4 | -157.5 | 4.2 | 44 | -25.6 | 0 | 0 | 0 | 114.1 | ||||
| 703 | S | 27.6 | Very low | 31.8 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | 82.2 | 157 | 159.6 | 79.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 704 | P | 30.4 | Very low | 31.5 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 69% | 0.688 | 72% | 0.724 | S | S | * | * | trans | -96.6 | 162.6 | -155 | 37.9 | -36.1 | 0 | 0 | 0 | 114.8 | ||||
| 705 | I | 33.6 | Very low | 31.4 | Very low | 176 Ų | 176 | 130.1 Ų | 130.1 | 90% | 0.903 | 74% | 0.739 | S | S | * | * | trans | -106.9 | 90 | 162.5 | -56.8 | 178.5 | 0 | 0 | 0 | 107.6 | ||||
| 706 | E | 32 | Very low | 31.4 | Very low | 143 Ų | 143 | 123.6 Ų | 123.6 | 67% | 0.668 | 73% | 0.732 | S | S | * | * | trans | -61.1 | 157.4 | 162.9 | -71.9 | -179 | 102.2 | 0 | 0 | 110.6 | ||||
| 707 | P | 32.9 | Very low | 31.3 | Very low | 108 Ų | 108 | 123.7 Ų | 123.7 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | -56.7 | 131.9 | 159.4 | 27.9 | -34 | 0 | 0 | 0 | 108.1 | T709 | P707-T709 PolarHBondContact O-N 2.83Š| ||
| 708 | P | 35.5 | Very low | 31.6 | Very low | 107 Ų | 107 | 120 Ų | 120 | 70% | 0.695 | 73% | 0.731 | S | S | * | * | trans | -65.5 | 107.7 | -175.4 | 25 | -33.4 | 0 | 0 | 0 | 110.1 | I710 | P708-I710 HydrophobicContact CB-CG1 4.15Å; P708-I710 WeakPolarHBondContact O-CG1 3.44Å; P708-I710 PolarHBondContact O-N 3.47Å | ||
| 709 | T | 29.5 | Very low | 32.3 | Very low | 112 Ų | 112 | 115.1 Ų | 115.1 | 69% | 0.687 | 71% | 0.714 | S | S | * | * | trans | -65.1 | 85.8 | 166.5 | -61.5 | 0 | 0 | 0 | 0 | 108.2 | P707 A711 | P707-T709 PolarHBondContact O-N 2.83Å; T709-A711 HydrophobicContact CG2-CB 4.21Å; T709-A711 PolarHBondContact O-N 3.39Å | ||
| 710 | I | 30.9 | Very low | 33.3 | Very low | 143 Ų | 143 | 111.2 Ų | 111.2 | 73% | 0.733 | 70% | 0.704 | S | S | * | * | trans | -79.2 | 62.8 | 174.9 | -49.6 | -176.5 | 0 | 0 | 0 | 109.1 | P708 | P708-I710 HydrophobicContact CB-CG1 4.15Å; P708-I710 WeakPolarHBondContact O-CG1 3.44Å; P708-I710 PolarHBondContact O-N 3.47Å | ||
| 711 | A | 28.3 | Very low | 34.5 | Very low | 72 Ų | 72 | 109.1 Ų | 109.1 | 60% | 0.595 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -128 | 137.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | T709 | T709-A711 HydrophobicContact CG2-CB 4.21Å; T709-A711 PolarHBondContact O-N 3.39Å |
| 712 | A | 28.1 | Very low | 36.6 | Very low | 92 Ų | 92 | 105 Ų | 105 | 76% | 0.76 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 69.3 | 168.9 | -163.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 713 | C | 27.1 | Very low | 37.8 | Very low | 116 Ų | 116 | 105.1 Ų | 105.1 | 78% | 0.784 | 67% | 0.671 | S | S | * | * | trans | 67.4 | 49.8 | 174.2 | -59 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 714 | L | 27.6 | Very low | 38.8 | Very low | 104 Ų | 104 | 105.4 Ų | 105.4 | 55% | 0.545 | 66% | 0.656 | S | S | . | * | trans | -123.8 | 43.2 | 153.8 | -79.1 | -178.4 | 0 | 0 | 0 | 113 | P752 | L714-P752 HydrophobicContact CD1-CG 4.44Š| ||
| 715 | T | 33 | Very low | 40.4 | Very low | 140 Ų | 140 | 104.1 Ų | 104.1 | 86% | 0.859 | 64% | 0.641 | S | S | * | * | trans | -105.7 | 42.8 | 167.7 | 34.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 716 | A | 35.6 | Very low | 41.9 | Very low | 82 Ų | 82 | 98 Ų | 98 | 68% | 0.678 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -142.3 | 140.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | A718 | A716-A718 PolarHBondContact O-N 3.47Š|
| 717 | S | 33.1 | Very low | 43.2 | Very low | 126 Ų | 126 | 94 Ų | 94 | 88% | 0.881 | 61% | 0.608 | S | S | * | * | trans | -75.5 | 85.4 | -177.5 | 57.1 | 0 | 0 | 0 | 0 | 112 | G719 | S717-G719 PolarHBondContact O-N 2.94Š| ||
| 718 | A | 38.5 | Very low | 44.2 | Very low | 59 Ų | 59 | 94.1 Ų | 94.1 | 49% | 0.488 | 60% | 0.603 | S | S | . | * | trans | -66.7 | 117 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | A716 | A716-A718 PolarHBondContact O-N 3.47Š| ||
| 719 | G | 48.2 | Very low | 45.4 | Very low | 37 Ų | 37 | 97.2 Ų | 97.2 | 38% | 0.381 | 60% | 0.6 | S | S | . | * | trans | -63.4 | 166.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | S717 D721 S722 | S717-G719 PolarHBondContact O-N 2.94Å; G719-D721 PolarHBondContact O-N 2.95Å; G719-D721 VanDerWaalsContact O-N 3.09Å; G719-S722 VanDerWaalsContact O-CB 3.31Å; G719-S722 WeakPolarHBondContact O-CB 3.13Å; G719-S722 PolarHBondContact O-N 3.45Å; G719-S722 PolarHBondContact O-OG 2.84Å | ||
| 720 | P | 54.1 | Low | 46.5 | Very low | 87 Ų | 87 | 95 Ų | 95 | 57% | 0.565 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -23.2 | -175.9 | 25.5 | -35 | 0 | 0 | 0 | 113.6 | R729 | P720-R729 PolarHBondContact O-NH2 3.06Š|
| 721 | D | 57 | Low | 46.9 | Very low | 150 Ų | 150 | 91.2 Ų | 91.2 | 80% | 0.802 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | 8 | -178.5 | -49.2 | -54.9 | 0 | 0 | 0 | 113.2 | G719 | G719-D721 PolarHBondContact O-N 2.95Å; G719-D721 VanDerWaalsContact O-N 3.09Å |
| 722 | S | 71.9 | Confident | 47.4 | Very low | 23 Ų | 23 | 93 Ų | 93 | 16% | 0.161 | 60% | 0.597 | C | S | . | * | trans | -62.8 | 142.7 | 176.5 | 59.5 | 0 | 0 | 0 | 0 | 111.7 | G719 Y724 M725 A726 | G719-S722 VanDerWaalsContact O-CB 3.31Å; G719-S722 WeakPolarHBondContact O-CB 3.13Å; G719-S722 PolarHBondContact O-N 3.45Å; G719-S722 PolarHBondContact O-OG 2.84Å; S722-Y724 PolarHBondContact O-N 3.31Å; S722-Y724 VanDerWaalsContact O-N 3.11Å; S722-M725 CarbonylContact O-C 3.58Å; S722-M725 PolarHBondContact O-N 3.29Å; S722-M725 WeakPolarHBondContact OG-CB 3.09Å; S722-M725 VanDerWaalsContact OG-CG 3.27Å; S722-M725 WeakPolarHBondContact OG-CG 3.41Å; S722-A726 PolarHBondContact O-N 3.05Å | ||
| 723 | P | 59.9 | Low | 47.9 | Very low | 113 Ų | 113 | 93.3 Ų | 93.3 | 73% | 0.734 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -61.7 | -24.3 | -178.7 | 23.4 | -33.4 | 0 | 0 | 0 | 112.9 | A726 A727 | P723-A726 PolarHBondContact O-N 3.38Å; P723-A727 WeakPolarHBondContact O-CB 3.45Å; P723-A727 PolarHBondContact O-N 2.9Å |
| 724 | Y | 48.5 | Very low | 48.5 | Very low | 118 Ų | 118 | 91.9 Ų | 91.9 | 46% | 0.463 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65 | -48.6 | 170.8 | -171.4 | -98.2 | 0 | 0 | 0 | 112.1 | S722 A726 A727 L728 | S722-Y724 PolarHBondContact O-N 3.31Å; S722-Y724 VanDerWaalsContact O-N 3.11Å; Y724-A726 VanDerWaalsContact C-N 3.26Å; Y724-A726 PolarHBondContact O-N 2.84Å; Y724-A727 PolarHBondContact O-N 2.84Å; Y724-L728 HydrophobicContact CD1-CD1 3.92Å; Y724-L728 HydrophobicContact CE1-CD1 3.6Å; Y724-L728 HydrophobicContact CE1-CG 4.43Å; Y724-L728 PolarHBondContact O-N 3.21Å |
| 725 | M | 62.3 | Low | 48.7 | Very low | 78 Ų | 78 | 99.4 Ų | 99.4 | 38% | 0.384 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -71.2 | -20.2 | 175 | -66.4 | -66.7 | -85.4 | 0 | 0 | 112.6 | S722 L728 R729 | S722-M725 CarbonylContact O-C 3.58Å; S722-M725 PolarHBondContact O-N 3.29Å; S722-M725 WeakPolarHBondContact OG-CB 3.09Å; S722-M725 VanDerWaalsContact OG-CG 3.27Å; S722-M725 WeakPolarHBondContact OG-CG 3.41Å; M725-L728 HydrophobicContact SD-CD1 4.12Å; M725-R729 PolarHBondContact O-NE 2.9Å; M725-R729 PolarHBondContact O-NH2 3.03Å |
| 726 | A | 66.4 | Low | 48.7 | Very low | 48 Ų | 48 | 96.1 Ų | 96.1 | 40% | 0.397 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -72.4 | -49.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S722 P723 Y724 L728 R729 A730 | S722-A726 PolarHBondContact O-N 3.05Å; P723-A726 PolarHBondContact O-N 3.38Å; Y724-A726 VanDerWaalsContact C-N 3.26Å; Y724-A726 PolarHBondContact O-N 2.84Å; A726-L728 VanDerWaalsContact C-N 3.35Å; A726-L728 PolarHBondContact O-N 3.41Å; A726-R729 CarbonylContact O-C 3.56Å; A726-R729 PolarHBondContact O-N 2.77Å; A726-A730 WeakPolarHBondContact O-CB 3.29Å; A726-A730 PolarHBondContact O-N 3.35Å |
| 727 | A | 58.1 | Low | 48.5 | Very low | 58 Ų | 58 | 102.6 Ų | 102.6 | 48% | 0.479 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -59.1 | -41.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P723 Y724 R729 A730 G731 | P723-A727 WeakPolarHBondContact O-CB 3.45Å; P723-A727 PolarHBondContact O-N 2.9Å; Y724-A727 PolarHBondContact O-N 2.84Å; A727-R729 VanDerWaalsContact C-N 3.26Å; A727-R729 PolarHBondContact O-N 3.03Å; A727-A730 PolarHBondContact O-N 3.06Å; A727-A730 VanDerWaalsContact O-N 3.13Å; A727-G731 PolarHBondContact O-N 3.14Å |
| 728 | L | 55.2 | Low | 48.6 | Very low | 112 Ų | 112 | 101.3 Ų | 101.3 | 59% | 0.586 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -62.1 | -29.3 | 174.7 | -74.9 | 173.7 | 0 | 0 | 0 | 113.5 | Y724 M725 A726 | Y724-L728 HydrophobicContact CD1-CD1 3.92Å; Y724-L728 HydrophobicContact CE1-CD1 3.6Å; Y724-L728 HydrophobicContact CE1-CG 4.43Å; Y724-L728 PolarHBondContact O-N 3.21Å; M725-L728 HydrophobicContact SD-CD1 4.12Å; A726-L728 VanDerWaalsContact C-N 3.35Å; A726-L728 PolarHBondContact O-N 3.41Å |
| 729 | R | 59.1 | Low | 48.2 | Very low | 171 Ų | 171 | 104.4 Ų | 104.4 | 65% | 0.645 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -87.5 | -21 | 173.6 | -80.1 | 174.7 | -69.5 | -173.3 | 1.6 | 113.4 | P720 M725 A726 A727 | P720-R729 PolarHBondContact O-NH2 3.06Å; M725-R729 PolarHBondContact O-NE 2.9Å; M725-R729 PolarHBondContact O-NH2 3.03Å; A726-R729 CarbonylContact O-C 3.56Å; A726-R729 PolarHBondContact O-N 2.77Å; A727-R729 VanDerWaalsContact C-N 3.26Å; A727-R729 PolarHBondContact O-N 3.03Å |
| 730 | A | 54.5 | Low | 47.5 | Very low | 66 Ų | 66 | 104.3 Ų | 104.3 | 55% | 0.545 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -80.2 | -13.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | A726 A727 C732 | A726-A730 WeakPolarHBondContact O-CB 3.29Å; A726-A730 PolarHBondContact O-N 3.35Å; A727-A730 PolarHBondContact O-N 3.06Å; A727-A730 VanDerWaalsContact O-N 3.13Å; A730-C732 VanDerWaalsContact C-N 3.28Å; A730-C732 PolarHBondContact O-N 3.26Å |
| 731 | G | 39.2 | Very low | 46.4 | Very low | 63 Ų | 63 | 111 Ų | 111 | 65% | 0.649 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.6 | 23 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | A727 A733 | A727-G731 PolarHBondContact O-N 3.14Å; G731-A733 PolarHBondContact O-N 3.43Å |
| 732 | C | 38.7 | Very low | 45.4 | Very low | 110 Ų | 110 | 111.7 Ų | 111.7 | 74% | 0.743 | 64% | 0.644 | S | S | * | * | trans | -70.4 | 95.2 | -174.1 | -58.4 | 0 | 0 | 0 | 0 | 112.5 | A730 A734 | A730-C732 VanDerWaalsContact C-N 3.28Å; A730-C732 PolarHBondContact O-N 3.26Å; C732-A734 PolarHBondContact O-N 2.79Å | ||
| 733 | A | 38.6 | Very low | 43.4 | Very low | 99 Ų | 99 | 113 Ų | 113 | 82% | 0.818 | 66% | 0.661 | S | S | * | * | trans | -65.7 | 112.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | G731 R735 | G731-A733 PolarHBondContact O-N 3.43Å; A733-R735 PolarHBondContact O-N 2.87Å | ||
| 734 | A | 38.4 | Very low | 42.3 | Very low | 86 Ų | 86 | 111.4 Ų | 111.4 | 71% | 0.711 | 65% | 0.646 | S | S | * | * | trans | -67.3 | 122.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | C732 G736 | C732-A734 PolarHBondContact O-N 2.79Å; A734-G736 PolarHBondContact O-N 3.37Å | ||
| 735 | R | 32.6 | Very low | 41.8 | Very low | 261 Ų | 261 | 111.3 Ų | 111.3 | 99% | 0.985 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 79.2 | -170 | -168.1 | -174.1 | -165.5 | 178.5 | 5.4 | 112.3 | A733 | A733-R735 PolarHBondContact O-N 2.87Š|
| 736 | G | 33.1 | Very low | 40.5 | Very low | 72 Ų | 72 | 118.5 Ų | 118.5 | 74% | 0.742 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -176.5 | -33.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | A734 | A734-G736 PolarHBondContact O-N 3.37Š|
| 737 | Y | 32.1 | Very low | 39.1 | Very low | 218 Ų | 218 | 119.9 Ų | 119.9 | 86% | 0.855 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -87.9 | 147.6 | -177.3 | -76.1 | -90.8 | 0 | 0 | 0 | 113.1 | V739 | Y737-V739 PolarHBondContact O-N 2.94Š|
| 738 | A | 33.7 | Very low | 37.9 | Very low | 98 Ų | 98 | 121.1 Ų | 121.1 | 81% | 0.81 | 70% | 0.7 | S | S | * | * | trans | -76.6 | 78.5 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 739 | V | 31.4 | Very low | 36.8 | Very low | 125 Ų | 125 | 122.2 Ų | 122.2 | 76% | 0.758 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 31.8 | 123.9 | 149.2 | -174.7 | 0 | 0 | 0 | 0 | 117.9 | Y737 R1228 | Y737-V739 PolarHBondContact O-N 2.94Å; V739-R1228 VanDerWaalsContact O-CZ 3.32Å; V739-R1228 PolarHBondContact O-NH1 2.82Å; V739-R1228 PolarHBondContact O-NH2 2.75Å |
| 740 | G | 31.8 | Very low | 35.8 | Very low | 35 Ų | 35 | 118 Ų | 118 | 36% | 0.361 | 71% | 0.707 | S | S | . | * | trans | 116.6 | 45.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | R1228 | G740-R1228 VanDerWaalsContact C-NH1 3.27Å; G740-R1228 WeakPolarHBondContact O-CD 3.34Å; G740-R1228 PolarHBondContact O-NH1 3.24Å | ||
| 741 | W | 31.6 | Very low | 34.7 | Very low | 227 Ų | 227 | 125 Ų | 125 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | trans | -127.3 | 163.7 | 152 | -70.7 | 82.7 | 0 | 0 | 0 | 106.6 | ||||
| 742 | I | 37.3 | Very low | 34.5 | Very low | 165 Ų | 165 | 126.7 Ų | 126.7 | 85% | 0.846 | 72% | 0.72 | S | S | * | * | trans | 72.7 | 77.8 | -171.9 | -45.5 | 169.8 | 0 | 0 | 0 | 112.7 | ||||
| 743 | G | 30.1 | Very low | 34.3 | Very low | 50 Ų | 50 | 125.1 Ų | 125.1 | 52% | 0.515 | 72% | 0.723 | S | S | . | * | trans | -123 | -3.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E1229 | G743-E1229 WeakPolarHBondContact CA-OE1 3.26Š| ||
| 744 | N | 35.5 | Very low | 34.1 | Very low | 79 Ų | 79 | 126.3 Ų | 126.3 | 42% | 0.422 | 72% | 0.715 | S | S | . | * | trans | -148.1 | 120.9 | -178.6 | -166.2 | -33 | 0 | 0 | 0 | 111.7 | R746 A747 | N744-R746 PolarHBondContact O-N 3.33Å; N744-R746 VanDerWaalsContact O-N 3.12Å; N744-R746 PolarHBondContact OD1-N 2.8Å; N744-A747 HydrophobicContact CB-CB 4.24Å; N744-A747 PolarHBondContact O-N 3.42Å | ||
| 745 | P | 38.7 | Very low | 33.9 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 76% | 0.76 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -3.4 | -179.7 | 29.5 | -35.8 | 0 | 0 | 0 | 114.3 | S748 | P745-S748 PolarHBondContact O-OG 3.15Š|
| 746 | R | 34.7 | Very low | 33.8 | Very low | 228 Ų | 228 | 120.5 Ų | 120.5 | 86% | 0.86 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -15.7 | 166.7 | -80 | -178.7 | 157 | 179.7 | -6.7 | 114.2 | N744 | N744-R746 PolarHBondContact O-N 3.33Å; N744-R746 VanDerWaalsContact O-N 3.12Å; N744-R746 PolarHBondContact OD1-N 2.8Å |
| 747 | A | 37.7 | Very low | 33.7 | Very low | 78 Ų | 78 | 123.3 Ų | 123.3 | 65% | 0.645 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -93.9 | -8.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | N744 | N744-A747 HydrophobicContact CB-CB 4.24Å; N744-A747 PolarHBondContact O-N 3.42Å |
| 748 | S | 31.9 | Very low | 33.5 | Very low | 84 Ų | 84 | 118.4 Ų | 118.4 | 59% | 0.587 | 70% | 0.702 | S | S | * | * | trans | -86.4 | 3.2 | -175 | 47 | 0 | 0 | 0 | 0 | 115.3 | P745 A750 | P745-S748 PolarHBondContact O-OG 3.15Å; S748-A750 PolarHBondContact O-N 3.2Å; S748-A750 VanDerWaalsContact O-N 3.14Å | ||
| 749 | I | 32.2 | Very low | 33.4 | Very low | 134 Ų | 134 | 119.5 Ų | 119.5 | 69% | 0.687 | 70% | 0.698 | S | S | * | * | trans | -88.3 | 63.9 | 172.3 | -47.4 | -179 | 0 | 0 | 0 | 109.5 | Y751 | I749-Y751 HydrophobicContact CG2-CE2 4.32Š| ||
| 750 | A | 37.6 | Very low | 33.3 | Very low | 84 Ų | 84 | 119.1 Ų | 119.1 | 69% | 0.694 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 117 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | S748 P752 | S748-A750 PolarHBondContact O-N 3.2Å; S748-A750 VanDerWaalsContact O-N 3.14Å; A750-P752 WeakPolarHBondContact O-CD 3.42Å |
| 751 | Y | 32.2 | Very low | 33.3 | Very low | 211 Ų | 211 | 127.6 Ų | 127.6 | 83% | 0.827 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 124.2 | 179.7 | -78.7 | -98.9 | 0 | 0 | 0 | 111.2 | I749 | I749-Y751 HydrophobicContact CG2-CE2 4.32Š|
| 752 | P | 35.7 | Very low | 33.3 | Very low | 99 Ų | 99 | 123.4 Ų | 123.4 | 64% | 0.643 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 140.5 | 170.1 | -20 | 33.9 | 0 | 0 | 0 | 111.3 | L714 A750 L754 | L714-P752 HydrophobicContact CD1-CG 4.44Å; A750-P752 WeakPolarHBondContact O-CD 3.42Å; P752-L754 PolarHBondContact O-N 3.09Å |
| 753 | G | 32.9 | Very low | 33.2 | Very low | 78 Ų | 78 | 119.7 Ų | 119.7 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 124.8 | -161.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 754 | L | 35.6 | Very low | 33.4 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | trans | -131.9 | 135.3 | 149.4 | -69 | 177 | 0 | 0 | 0 | 107.7 | P752 L757 | P752-L754 PolarHBondContact O-N 3.09Å; L754-L757 HydrophobicContact CD1-CB 4.13Å; L754-L757 HydrophobicContact CD1-CD1 3.88Å; L754-L757 HydrophobicContact CD1-CG 4.33Å | ||
| 755 | G | 33 | Very low | 33.2 | Very low | 68 Ų | 68 | 133.2 Ų | 133.2 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | S | Bend | cis | 78.6 | 55.1 | 10.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 756 | L | 31.7 | Very low | 33.2 | Very low | 156 Ų | 156 | 132 Ų | 132 | 82% | 0.817 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 58.3 | 73.4 | 172.9 | -59.3 | 175.9 | 0 | 0 | 0 | 116 | ||
| 757 | L | 30.2 | Very low | 33 | Very low | 131 Ų | 131 | 124 Ų | 124 | 69% | 0.686 | 74% | 0.741 | S | S | * | * | trans | -131.8 | 126.8 | 146 | -107 | 178.4 | 0 | 0 | 0 | 111.3 | L754 V759 | L754-L757 HydrophobicContact CD1-CB 4.13Å; L754-L757 HydrophobicContact CD1-CD1 3.88Å; L754-L757 HydrophobicContact CD1-CG 4.33Å; L757-V759 PolarHBondContact O-N 2.91Å | ||
| 758 | S | 27.2 | Very low | 32.8 | Very low | 115 Ų | 115 | 125.6 Ų | 125.6 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | -81.7 | 75.3 | -177.9 | 55.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 759 | V | 32.2 | Very low | 32.9 | Very low | 122 Ų | 122 | 124.6 Ų | 124.6 | 74% | 0.739 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 130.7 | 167.8 | -176.3 | 0 | 0 | 0 | 0 | 108.6 | L757 R761 | L757-V759 PolarHBondContact O-N 2.91Å; V759-R761 PolarHBondContact O-N 3.24Å; V759-R761 VanDerWaalsContact O-N 3.16Å |
| 760 | P | 30.6 | Very low | 33.1 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 120.1 | -174.1 | -24.7 | 34.4 | 0 | 0 | 0 | 112.4 | ||
| 761 | R | 31 | Very low | 33 | Very low | 213 Ų | 213 | 131.2 Ų | 131.2 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 139.8 | 160.5 | -78.4 | -178.6 | 175.3 | 166.7 | -0.3 | 108.3 | V759 S763 | V759-R761 PolarHBondContact O-N 3.24Å; V759-R761 VanDerWaalsContact O-N 3.16Å; R761-S763 WeakPolarHBondContact CB-OG 3.37Å; R761-S763 PolarHBondContact O-N 2.61Å; R761-S763 PolarHBondContact O-OG 3.48Å |
| 762 | P | 31.2 | Very low | 32.9 | Very low | 139 Ų | 139 | 125.4 Ų | 125.4 | 90% | 0.903 | 75% | 0.749 | S | S | * | * | trans | -66 | 80 | 166.9 | 28.3 | -33.8 | 0 | 0 | 0 | 109.4 | R764 | P762-R764 PolarHBondContact O-N 2.79Š| ||
| 763 | S | 35.2 | Very low | 33 | Very low | 87 Ų | 87 | 128.3 Ų | 128.3 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | trans | -91.4 | 93.5 | -165.9 | -59.3 | 0 | 0 | 0 | 0 | 108.8 | R761 L765 | R761-S763 WeakPolarHBondContact CB-OG 3.37Å; R761-S763 PolarHBondContact O-N 2.61Å; R761-S763 PolarHBondContact O-OG 3.48Å; S763-L765 PolarHBondContact O-N 2.74Å; S763-L765 VanDerWaalsContact O-N 3.15Å | ||
| 764 | R | 34.4 | Very low | 33.3 | Very low | 232 Ų | 232 | 131.1 Ų | 131.1 | 88% | 0.875 | 76% | 0.756 | S | S | * | * | trans | 23.1 | 80.1 | 162.5 | -69.8 | 179.6 | 168.7 | 176.7 | -4.9 | 114.1 | P762 A766 | P762-R764 PolarHBondContact O-N 2.79Å; R764-A766 PolarHBondContact O-N 3.35Å | ||
| 765 | L | 30.6 | Very low | 33.5 | Very low | 181 Ų | 181 | 132.2 Ų | 132.2 | 95% | 0.948 | 76% | 0.762 | S | S | * | * | trans | -68.1 | 79.8 | 161.7 | -95.3 | 167.4 | 0 | 0 | 0 | 108.9 | S763 | S763-L765 PolarHBondContact O-N 2.74Å; S763-L765 VanDerWaalsContact O-N 3.15Å | ||
| 766 | A | 38.5 | Very low | 34.2 | Very low | 91 Ų | 91 | 134.2 Ų | 134.2 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | trans | -88.6 | 106.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | R764 | R764-A766 PolarHBondContact O-N 3.35Š| ||
| 767 | G | 32.3 | Very low | 34.4 | Very low | 61 Ų | 61 | 132.3 Ų | 132.3 | 63% | 0.629 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 80.2 | 102.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 768 | S | 31.9 | Very low | 35.2 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | trans | 67.2 | 146.7 | 145.8 | 62.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 769 | A | 35.1 | Very low | 36.1 | Very low | 62 Ų | 62 | 128.9 Ų | 128.9 | 51% | 0.512 | 73% | 0.73 | S | S | . | * | trans | 73.7 | 150.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 770 | F | 35 | Very low | 36.6 | Very low | 197 Ų | 197 | 130.9 Ų | 130.9 | 86% | 0.864 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 60.5 | 69.6 | 177.1 | -64.4 | -81.1 | 0 | 0 | 0 | 118.1 | ||
| 771 | L | 36.2 | Very low | 37.2 | Very low | 160 Ų | 160 | 131.4 Ų | 131.4 | 84% | 0.838 | 73% | 0.725 | S | S | * | * | -163.5 | 62.9 | 123.4 | -105.1 | 176.5 | 0 | 0 | 0 | 110.6 | |||||
| 772 | S | 31.4 | Very low | 38 | Very low | 89 Ų | 89 | 125.9 Ų | 125.9 | 62% | 0.622 | 72% | 0.718 | S | S | * | * | trans | -80.5 | 153.5 | 159.6 | 50.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 773 | H | 37.8 | Very low | 38.5 | Very low | 160 Ų | 160 | 124.3 Ų | 124.3 | 74% | 0.741 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 73.8 | 136.3 | -171.5 | -41.5 | -75 | 0 | 0 | 0 | 114.9 | ||
| 774 | T | 38.9 | Very low | 38.9 | Very low | 137 Ų | 137 | 123 Ų | 123 | 84% | 0.84 | 69% | 0.693 | S | S | * | * | S | Bend | trans | 71.2 | 32.4 | 174.1 | 71.9 | 0 | 0 | 0 | 0 | 119 | ||
| 775 | L | 39.8 | Very low | 39.5 | Very low | 148 Ų | 148 | 114.5 Ų | 114.5 | 78% | 0.775 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -114.9 | 139.4 | 149.2 | -78.4 | 175.5 | 0 | 0 | 0 | 110.1 | ||
| 776 | P | 46.7 | Very low | 40.1 | Very low | 109 Ų | 109 | 108.3 Ų | 108.3 | 71% | 0.708 | 65% | 0.653 | S | S | * | * | trans | -61.5 | 148.3 | 169.3 | -20.2 | 32.9 | 0 | 0 | 0 | 111.1 | L778 | P776-L778 PolarHBondContact O-N 3.38Š| ||
| 777 | D | 37.2 | Very low | 40.5 | Very low | 116 Ų | 116 | 107 Ų | 107 | 62% | 0.62 | 63% | 0.631 | S | S | * | * | trans | -72.2 | 103 | -171.3 | -157.7 | -31.2 | 0 | 0 | 0 | 112 | S779 | D777-S779 PolarHBondContact O-N 3.44Å; D777-S779 WeakPolarHBondContact OD1-CB 3.45Å; D777-S779 PolarHBondContact OD1-N 3.48Å; D777-S779 VanDerWaalsContact OD1-N 3.1Å; D777-S779 PolarHBondContact OD1-OG 3.44Å | ||
| 778 | L | 45.1 | Very low | 41.3 | Very low | 121 Ų | 121 | 112.5 Ų | 112.5 | 63% | 0.634 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 1.7 | -179.2 | -69.3 | 171.7 | 0 | 0 | 0 | 113.4 | P776 F780 L781 | P776-L778 PolarHBondContact O-N 3.38Å; L778-F780 PolarHBondContact O-N 3.4Å; L778-L781 HydrophobicContact CD2-CD1 3.95Å; L778-L781 PolarHBondContact O-N 3.31Å |
| 779 | S | 46.6 | Very low | 42.1 | Very low | 53 Ų | 53 | 114.3 Ų | 114.3 | 37% | 0.371 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -51.3 | -37 | 168.6 | 54.7 | 0 | 0 | 0 | 0 | 112.1 | D777 L781 S782 Q783 | D777-S779 PolarHBondContact O-N 3.44Å; D777-S779 WeakPolarHBondContact OD1-CB 3.45Å; D777-S779 PolarHBondContact OD1-N 3.48Å; D777-S779 VanDerWaalsContact OD1-N 3.1Å; D777-S779 PolarHBondContact OD1-OG 3.44Å; S779-L781 PolarHBondContact O-N 2.74Å; S779-L781 VanDerWaalsContact O-N 3.13Å; S779-S782 PolarHBondContact O-N 3.13Å; S779-Q783 VanDerWaalsContact O-CB 3.3Å; S779-Q783 WeakPolarHBondContact O-CB 3.14Å; S779-Q783 PolarHBondContact O-N 3.4Å |
| 780 | F | 42.8 | Very low | 42.7 | Very low | 165 Ų | 165 | 121.8 Ų | 121.8 | 72% | 0.724 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -56 | -28.1 | 175.5 | -77.6 | -81.3 | 0 | 0 | 0 | 114.5 | L778 A784 | L778-F780 PolarHBondContact O-N 3.4Å; F780-A784 WeakPolarHBondContact O-CB 2.88Å; F780-A784 PolarHBondContact O-N 2.94Å |
| 781 | L | 43.2 | Very low | 42.9 | Very low | 127 Ų | 127 | 120.3 Ų | 120.3 | 67% | 0.665 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -86 | -36 | 179.3 | -90.1 | 163.1 | 0 | 0 | 0 | 113.1 | L778 S779 Q783 G785 | L778-L781 HydrophobicContact CD2-CD1 3.95Å; L778-L781 PolarHBondContact O-N 3.31Å; S779-L781 PolarHBondContact O-N 2.74Å; S779-L781 VanDerWaalsContact O-N 3.13Å; L781-Q783 VanDerWaalsContact C-N 3.34Å; L781-G785 PolarHBondContact O-N 3Å |
| 782 | S | 47.7 | Very low | 42.7 | Very low | 96 Ų | 96 | 115.5 Ų | 115.5 | 67% | 0.671 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -73 | -31 | 171.6 | -162.8 | 0 | 0 | 0 | 0 | 111.5 | S779 A786 | S779-S782 PolarHBondContact O-N 3.13Å; S782-A786 WeakPolarHBondContact O-CB 3.47Å; S782-A786 PolarHBondContact O-N 2.84Å |
| 783 | Q | 43 | Very low | 42.6 | Very low | 107 Ų | 107 | 117.5 Ų | 117.5 | 50% | 0.5 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -75.1 | -37.8 | 172.2 | -165.1 | 153.9 | 2.3 | 0 | 0 | 111.4 | S779 L781 G785 A786 E787 | S779-Q783 VanDerWaalsContact O-CB 3.3Å; S779-Q783 WeakPolarHBondContact O-CB 3.14Å; S779-Q783 PolarHBondContact O-N 3.4Å; L781-Q783 VanDerWaalsContact C-N 3.34Å; Q783-G785 VanDerWaalsContact C-N 3.26Å; Q783-G785 PolarHBondContact O-N 3.3Å; Q783-A786 PolarHBondContact O-N 3.13Å; Q783-E787 HydrophobicContact CG-CB 4.25Å; Q783-E787 WeakPolarHBondContact CG-OE2 3.37Å; Q783-E787 PolarHBondContact NE2-OE2 3.13Å; Q783-E787 WeakPolarHBondContact O-CB 3.37Å; Q783-E787 PolarHBondContact O-N 3.22Å |
| 784 | A | 42.8 | Very low | 42.4 | Very low | 58 Ų | 58 | 115.4 Ų | 115.4 | 48% | 0.479 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -54.7 | -42.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F780 A786 | F780-A784 WeakPolarHBondContact O-CB 2.88Å; F780-A784 PolarHBondContact O-N 2.94Å; A784-A786 VanDerWaalsContact C-N 3.32Å; A784-A786 PolarHBondContact O-N 2.82Å |
| 785 | G | 46.1 | Very low | 41.9 | Very low | 55 Ų | 55 | 114.5 Ų | 114.5 | 57% | 0.567 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -80.5 | 4.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | L781 Q783 | L781-G785 PolarHBondContact O-N 3Å; Q783-G785 VanDerWaalsContact C-N 3.26Å; Q783-G785 PolarHBondContact O-N 3.3Å |
| 786 | A | 44.4 | Very low | 41.4 | Very low | 50 Ų | 50 | 115.8 Ų | 115.8 | 41% | 0.413 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -135.6 | -19 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S782 Q783 A784 | S782-A786 WeakPolarHBondContact O-CB 3.47Å; S782-A786 PolarHBondContact O-N 2.84Å; Q783-A786 PolarHBondContact O-N 3.13Å; A784-A786 VanDerWaalsContact C-N 3.32Å; A784-A786 PolarHBondContact O-N 2.82Å |
| 787 | E | 47.7 | Very low | 40.7 | Very low | 64 Ų | 64 | 114.8 Ų | 114.8 | 30% | 0.299 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -76.4 | -28.3 | 169.9 | -158 | 76.9 | -135.2 | 0 | 0 | 110.7 | Q783 D789 R790 K791 | Q783-E787 HydrophobicContact CG-CB 4.25Å; Q783-E787 WeakPolarHBondContact CG-OE2 3.37Å; Q783-E787 PolarHBondContact NE2-OE2 3.13Å; Q783-E787 WeakPolarHBondContact O-CB 3.37Å; Q783-E787 PolarHBondContact O-N 3.22Å; E787-D789 PolarHBondContact O-N 3.18Å; E787-R790 PolarHBondContact O-N 3.4Å; E787-R790 VanDerWaalsContact O-N 3.13Å; E787-K791 HydrophobicContact CG-CD 4.12Å; E787-K791 HydrophobicContact CG-CG 4.01Å; E787-K791 PolarHBondContact O-N 3.47Å; E787-K791 WeakPolarHBondContact OE1-CE 3.31Å; E787-K791 VanDerWaalsContact OE1-CG 3.31Å; E787-K791 WeakPolarHBondContact OE1-CG 2.81Å; E787-K791 IonicContact OE1-NZ 3.87Å |
| 788 | E | 48.3 | Very low | 40.3 | Very low | 176 Ų | 176 | 119.4 Ų | 119.4 | 82% | 0.822 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -31.4 | 170.8 | -170.4 | 164.7 | -154.6 | 0 | 0 | 112.1 | ||
| 789 | D | 49.2 | Very low | 39.5 | Very low | 150 Ų | 150 | 123.2 Ų | 123.2 | 80% | 0.802 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -5.6 | 176.4 | -92.3 | -28.6 | 0 | 0 | 0 | 114.5 | E787 | E787-D789 PolarHBondContact O-N 3.18Š|
| 790 | R | 46.5 | Very low | 38.8 | Very low | 220 Ų | 220 | 130.8 Ų | 130.8 | 83% | 0.83 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.3 | -13.2 | -171 | -76 | -172.8 | 171.8 | 160.6 | 0.9 | 117.9 | E787 G792 | E787-R790 PolarHBondContact O-N 3.4Å; E787-R790 VanDerWaalsContact O-N 3.13Å; R790-G792 PolarHBondContact O-N 2.88Å |
| 791 | K | 40.3 | Very low | 38 | Very low | 165 Ų | 165 | 127 Ų | 127 | 72% | 0.717 | 68% | 0.679 | S | S | * | * | trans | -87.2 | 74.1 | 167.5 | -70.5 | -161 | -173.7 | -166.1 | 0 | 112.9 | E787 | E787-K791 HydrophobicContact CG-CD 4.12Å; E787-K791 HydrophobicContact CG-CG 4.01Å; E787-K791 PolarHBondContact O-N 3.47Å; E787-K791 WeakPolarHBondContact OE1-CE 3.31Å; E787-K791 VanDerWaalsContact OE1-CG 3.31Å; E787-K791 WeakPolarHBondContact OE1-CG 2.81Å; E787-K791 IonicContact OE1-NZ 3.87Å | ||
| 792 | G | 30.5 | Very low | 37.3 | Very low | 60 Ų | 60 | 126.3 Ų | 126.3 | 62% | 0.619 | 69% | 0.685 | S | S | * | * | trans | -75.5 | 160.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R790 | R790-G792 PolarHBondContact O-N 2.88Š| ||
| 793 | T | 30.7 | Very low | 36.4 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | trans | 83.2 | 136.8 | 172.5 | -36.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 794 | P | 32.7 | Very low | 35.6 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 75% | 0.753 | 71% | 0.71 | S | S | * | * | cis | -105.4 | 130.2 | 7.2 | 11.6 | 10.5 | 0 | 0 | 0 | 115.7 | ||||
| 795 | T | 29 | Very low | 35 | Very low | 118 Ų | 118 | 132 Ų | 132 | 72% | 0.724 | 72% | 0.717 | S | S | * | * | trans | -11.5 | 122.5 | 135.1 | 48.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 796 | M | 28.2 | Very low | 34.2 | Very low | 174 Ų | 174 | 134.8 Ų | 134.8 | 86% | 0.857 | 72% | 0.723 | S | S | * | * | trans | -134.8 | 90.5 | 133.8 | -95.7 | -137 | 71.8 | 0 | 0 | 111.8 | ||||
| 797 | T | 32.8 | Very low | 33.4 | Very low | 89 Ų | 89 | 138.1 Ų | 138.1 | 55% | 0.546 | 74% | 0.739 | S | S | . | * | trans | 27.8 | 103 | 143.5 | 59.8 | 0 | 0 | 0 | 0 | 119.1 | R799 | T797-R799 PolarHBondContact O-N 3.25Š| ||
| 798 | K | 29.7 | Very low | 32.6 | Very low | 213 Ų | 213 | 143.5 Ų | 143.5 | 93% | 0.926 | 76% | 0.764 | S | S | * | * | 7.8 | 88.8 | 111.6 | -174.8 | -176.2 | -175.5 | 175.8 | 0 | 114.8 | |||||
| 799 | R | 27.9 | Very low | 31.9 | Very low | 201 Ų | 201 | 140.8 Ų | 140.8 | 76% | 0.758 | 77% | 0.765 | S | S | * | * | trans | -147.6 | 98.7 | 163.6 | -100 | -172.1 | -175.1 | -165.1 | 2.6 | 112.9 | T797 | T797-R799 PolarHBondContact O-N 3.25Š| ||
| 800 | R | 30.7 | Very low | 31.2 | Very low | 212 Ų | 212 | 142.9 Ų | 142.9 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | 68 | 138.6 | 152.3 | -49.6 | 178.5 | 173.3 | 171.3 | -4.7 | 114.1 | ||||
| 801 | A | 26.9 | Very low | 30.8 | Very low | 85 Ų | 85 | 142.1 Ų | 142.1 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | cis | 65.6 | 128.8 | 40.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 802 | S | 27.6 | Very low | 30.8 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | 60 | 142.3 | -154.9 | 73.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 803 | C | 28.5 | Very low | 30.9 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | cis | -99.8 | 108.7 | 12.6 | -45.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 804 | L | 27.1 | Very low | 31.1 | Very low | 171 Ų | 171 | 146.3 Ų | 146.3 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | trans | -87.4 | 100 | 153 | -97.7 | 164.8 | 0 | 0 | 0 | 106.9 | ||||
| 805 | S | 31 | Very low | 31.2 | Very low | 90 Ų | 90 | 146.3 Ų | 146.3 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | trans | -139.7 | 95.8 | 161 | 54.6 | 0 | 0 | 0 | 0 | 106 | ||||
| 806 | T | 28 | Very low | 31.5 | Very low | 112 Ų | 112 | 147.4 Ų | 147.4 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | 42.9 | 132.7 | 83.9 | 67.3 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 807 | T | 27.3 | Very low | 32.2 | Very low | 121 Ų | 121 | 149 Ų | 149 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | 59.4 | 109.5 | 168.2 | 53.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 808 | Q | 30.7 | Very low | 32.3 | Very low | 176 Ų | 176 | 149.8 Ų | 149.8 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | 69.5 | 132.6 | 137.2 | -56.8 | -174.2 | 16.8 | 0 | 0 | 121.4 | ||||
| 809 | S | 34.2 | Very low | 32.6 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | 83 | 150.6 | 146.3 | 86.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 810 | K | 34.2 | Very low | 32.8 | Very low | 194 Ų | 194 | 139.4 Ų | 139.4 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -83 | 131.4 | -171.7 | -55.5 | 150.9 | 179.2 | 170.2 | 0 | 110.3 | ||||
| 811 | K | 39.7 | Very low | 33.1 | Very low | 203 Ų | 203 | 140.5 Ų | 140.5 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | 172.1 | 136.6 | 125.2 | -90.2 | 149.9 | -170.2 | 175.4 | 0 | 114.2 | |||||
| 812 | K | 38.7 | Very low | 33.5 | Very low | 199 Ų | 199 | 140.8 Ų | 140.8 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | trans | 21.1 | 114.9 | 153.5 | -64.2 | -177.7 | 175 | -177.1 | 0 | 120.5 | ||||
| 813 | C | 32.4 | Very low | 33.9 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | trans | -157.2 | 96.9 | 135.4 | -170.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 814 | T | 35 | Very low | 33.9 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | 44.9 | 76.4 | 87.2 | 60.2 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 815 | C | 34.7 | Very low | 34.2 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -129.4 | 125.6 | 161.3 | -171.7 | 0 | 0 | 0 | 0 | 110.5 | K817 | C815-K817 PolarHBondContact O-N 2.96Š| ||
| 816 | T | 36.3 | Very low | 34.2 | Very low | 140 Ų | 140 | 137.5 Ų | 137.5 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | -91.9 | 85.8 | -167.7 | 48.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 817 | K | 42.6 | Very low | 34.3 | Very low | 208 Ų | 208 | 143.7 Ų | 143.7 | 90% | 0.904 | 82% | 0.816 | S | S | * | * | trans | -150.2 | 4.6 | 169.1 | -133.4 | 162.9 | -175.9 | 172.3 | 0 | 118.5 | C815 | C815-K817 PolarHBondContact O-N 2.96Š| ||
| 818 | C | 34.8 | Very low | 34.6 | Very low | 106 Ų | 106 | 144 Ų | 144 | 72% | 0.716 | 82% | 0.817 | S | S | * | * | trans | -105.6 | 110.2 | 167.6 | 50 | 0 | 0 | 0 | 0 | 110.8 | C820 | C818-C820 VanDerWaalsContact C-N 3.27Å; C818-C820 PolarHBondContact O-N 3.28Å | ||
| 819 | G | 37 | Very low | 34.8 | Very low | 82 Ų | 82 | 141.6 Ų | 141.6 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | -81.5 | 44.1 | -171 | 0 | 0 | 0 | 0 | 0 | 115.7 | R821 | G819-R821 PolarHBondContact O-N 3.04Å; G819-R821 VanDerWaalsContact O-N 3.14Å | ||
| 820 | C | 30.7 | Very low | 34.9 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | trans | -82.4 | 90.3 | -171 | -60.1 | 0 | 0 | 0 | 0 | 113.5 | C818 | C818-C820 VanDerWaalsContact C-N 3.27Å; C818-C820 PolarHBondContact O-N 3.28Å | ||
| 821 | R | 37.7 | Very low | 34.9 | Very low | 236 Ų | 236 | 141.8 Ų | 141.8 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | trans | -151.5 | 152.3 | 164.1 | -68.3 | -174.3 | 177.8 | -126.5 | 2.4 | 109.8 | G819 | G819-R821 PolarHBondContact O-N 3.04Å; G819-R821 VanDerWaalsContact O-N 3.14Å | ||
| 822 | S | 34.3 | Very low | 34.6 | Very low | 91 Ų | 91 | 135.4 Ų | 135.4 | 64% | 0.636 | 81% | 0.81 | S | S | * | * | cis | -175.1 | 161.8 | -22.7 | -87.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 823 | T | 36.1 | Very low | 34.5 | Very low | 136 Ų | 136 | 132.2 Ų | 132.2 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | 62.4 | 171.6 | 162.2 | 51.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 824 | S | 29.3 | Very low | 34.4 | Very low | 104 Ų | 104 | 132.2 Ų | 132.2 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | -174 | 160.9 | -67.2 | 52 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 825 | A | 32.6 | Very low | 34.4 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | 83.3 | 152.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 826 | G | 31.1 | Very low | 34.3 | Very low | 75 Ų | 75 | 131.4 Ų | 131.4 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | 149.7 | 121.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 827 | R | 30.3 | Very low | 34.3 | Very low | 242 Ų | 242 | 134.2 Ų | 134.2 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | trans | -142.9 | 167.9 | -180 | -82.8 | -172.2 | 171.9 | -176.5 | -1.2 | 111.2 | ||||
| 828 | V | 33.5 | Very low | 33.9 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | 86.5 | 126.7 | 155.4 | -164.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 829 | S | 35.7 | Very low | 33.9 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 88% | 0.881 | 79% | 0.792 | S | S | * | * | trans | -149.3 | 149 | 141.6 | -175.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 830 | S | 35.5 | Very low | 33.8 | Very low | 99 Ų | 99 | 133.8 Ų | 133.8 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | -159.3 | 135.4 | -165.6 | 56 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 831 | K | 34.5 | Very low | 33.9 | Very low | 219 Ų | 219 | 134.6 Ų | 134.6 | 95% | 0.952 | 78% | 0.784 | S | S | * | * | trans | -151.2 | 143.8 | 164.2 | -68.2 | -178.5 | 176.7 | 178.5 | 0 | 107.2 | ||||
| 832 | G | 34.5 | Very low | 33.9 | Very low | 69 Ų | 69 | 130.5 Ų | 130.5 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | cis | 170.4 | 134.1 | -6.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 833 | T | 35.5 | Very low | 33.7 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | -172.8 | 138.5 | 71.4 | 35.8 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 834 | C | 30.2 | Very low | 33.7 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | 56.5 | 133 | 96 | -49.5 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 835 | S | 35.7 | Very low | 33.7 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | cis | -149.5 | 136.6 | 13.2 | -99.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 836 | D | 31.9 | Very low | 33.5 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | 75.9 | 100.9 | 88.5 | -62 | -63.8 | 0 | 0 | 0 | 117.5 | |||||
| 837 | K | 36.3 | Very low | 33.5 | Very low | 199 Ų | 199 | 138 Ų | 138 | 87% | 0.865 | 76% | 0.758 | S | S | * | * | -173.1 | 118 | 116.7 | -91.8 | 145.6 | -169.9 | 174.5 | 0 | 107.7 | |||||
| 838 | S | 33.9 | Very low | 33.3 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | 58.1 | 108.5 | 78.8 | -161.5 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 839 | S | 35.8 | Very low | 32.9 | Very low | 104 Ų | 104 | 131.4 Ų | 131.4 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | cis | -176.6 | 178.3 | 48 | 58.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 840 | K | 35 | Very low | 32.6 | Very low | 173 Ų | 173 | 133 Ų | 133 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | cis | -166.4 | 144.6 | 6.1 | -134.4 | 177.6 | 178.1 | -179.8 | 0 | 107.1 | ||||
| 841 | L | 33.2 | Very low | 32.2 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | trans | 64.2 | 155.9 | 153.2 | -52.4 | 168.1 | 0 | 0 | 0 | 117.3 | ||||
| 842 | Q | 37.2 | Very low | 31.9 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | cis | -144.5 | 150.7 | -10.9 | -125.1 | 159.5 | -33 | 0 | 0 | 112.2 | ||||
| 843 | T | 31 | Very low | 31.5 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 66% | 0.656 | 73% | 0.729 | S | S | * | * | trans | -8.5 | 146.7 | 143 | 64.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 844 | S | 34.6 | Very low | 31.1 | Very low | 98 Ų | 98 | 135.9 Ų | 135.9 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | cis | -149.5 | 158 | 45.8 | -69.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 845 | K | 29.3 | Very low | 31 | Very low | 183 Ų | 183 | 135.1 Ų | 135.1 | 80% | 0.796 | 72% | 0.723 | S | S | * | * | 50.3 | 136.8 | 63.9 | -84 | -178.4 | 174.9 | -177.5 | 0 | 110.3 | |||||
| 846 | I | 29.3 | Very low | 30.7 | Very low | 122 Ų | 122 | 141 Ų | 141 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | cis | -167.2 | 162.4 | 24.7 | -137.1 | 164.2 | 0 | 0 | 0 | 109.5 | ||||
| 847 | Q | 29.9 | Very low | 30.6 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | trans | 54.4 | 126 | 160.5 | -66.3 | 174.7 | -85.6 | 0 | 0 | 118.7 | ||||
| 848 | S | 26.6 | Very low | 30.4 | Very low | 83 Ų | 83 | 138.5 Ų | 138.5 | 58% | 0.58 | 72% | 0.719 | S | S | * | * | cis | 79.6 | 115.4 | 47 | 84 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 849 | D | 26.4 | Very low | 30.5 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | trans | 66 | 160.7 | 146.1 | -70.4 | -58.7 | 0 | 0 | 0 | 121 | ||||
| 850 | Q | 29 | Very low | 30.4 | Very low | 159 Ų | 159 | 140.1 Ų | 140.1 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | trans | 77.3 | 111.9 | 171.2 | -44.2 | -156.1 | 40.9 | 0 | 0 | 114 | ||||
| 851 | N | 26.5 | Very low | 30.2 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | 67.6 | 131.6 | 62.6 | -74.3 | -51.1 | 0 | 0 | 0 | 112.9 | |||||
| 852 | K | 27.7 | Very low | 30.2 | Very low | 180 Ų | 180 | 138.5 Ų | 138.5 | 78% | 0.783 | 70% | 0.699 | S | S | * | * | trans | 69 | 154 | 165.5 | -57.4 | 160.1 | -178.3 | 177 | 0 | 112.9 | ||||
| 853 | T | 27.1 | Very low | 29.8 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | cis | -155.4 | -168.3 | -12.9 | 12.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 854 | L | 27.5 | Very low | 29.8 | Very low | 153 Ų | 153 | 143.6 Ų | 143.6 | 80% | 0.801 | 71% | 0.705 | S | S | * | * | trans | 74.4 | 144.4 | 173.5 | -71.2 | 98.2 | 0 | 0 | 0 | 114.9 | ||||
| 855 | C | 26.3 | Very low | 29.5 | Very low | 98 Ų | 98 | 143.4 Ų | 143.4 | 66% | 0.662 | 70% | 0.696 | S | S | * | * | cis | -165 | 145.1 | -28.4 | -126.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 856 | R | 29.5 | Very low | 29.8 | Very low | 222 Ų | 222 | 141.2 Ų | 141.2 | 84% | 0.838 | 70% | 0.698 | S | S | * | * | trans | 65.7 | 151.8 | 170.7 | -57.6 | 173.9 | 179.8 | 170 | -1.6 | 113 | ||||
| 857 | N | 29.7 | Very low | 29.8 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 61% | 0.61 | 70% | 0.698 | S | S | * | * | cis | -154.5 | -170.5 | -18.4 | -114.6 | -4.5 | 0 | 0 | 0 | 108.5 | ||||
| 858 | F | 34 | Very low | 29.8 | Very low | 166 Ų | 166 | 138.5 Ų | 138.5 | 73% | 0.728 | 70% | 0.695 | S | S | * | * | trans | 6.1 | 131.5 | 136.7 | -50.1 | -45.6 | 0 | 0 | 0 | 117 | ||||
| 859 | K | 34.5 | Very low | 29.6 | Very low | 152 Ų | 152 | 141.6 Ų | 141.6 | 66% | 0.661 | 70% | 0.704 | S | S | * | * | cis | -172.6 | -172.7 | 7.1 | -131.1 | 164.5 | 145 | -98.3 | 0 | 111.4 | ||||
| 860 | D | 33.5 | Very low | 29.7 | Very low | 96 Ų | 96 | 141.6 Ų | 141.6 | 51% | 0.513 | 70% | 0.702 | S | S | . | * | trans | 43.8 | 106.8 | 145.7 | -54.2 | -24.6 | 0 | 0 | 0 | 116.1 | ||||
| 861 | N | 31.1 | Very low | 29.6 | Very low | 123 Ų | 123 | 139.2 Ų | 139.2 | 66% | 0.658 | 70% | 0.703 | S | S | * | * | 116.8 | 139.3 | 69.9 | -88 | -3.6 | 0 | 0 | 0 | 106.8 | |||||
| 862 | E | 33.1 | Very low | 29.6 | Very low | 144 Ų | 144 | 138.1 Ų | 138.1 | 67% | 0.673 | 70% | 0.702 | S | S | * | * | cis | -127 | 142.2 | -9.8 | -98.5 | 177.8 | 93.1 | 0 | 0 | 107.8 | ||||
| 863 | Q | 28.8 | Very low | 29.5 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 58% | 0.575 | 70% | 0.7 | S | S | * | * | 48.7 | 121.9 | 86.9 | -64.5 | 173.7 | -113.7 | 0 | 0 | 112.8 | N865 | Q863-N865 PolarHBondContact NE2-ND2 2.9Å; Q863-N865 PolarHBondContact NE2-OD1 3.44Å | |||
| 864 | R | 32.1 | Very low | 29.5 | Very low | 243 Ų | 243 | 136.6 Ų | 136.6 | 92% | 0.917 | 71% | 0.705 | S | S | * | * | cis | 54.6 | 43.9 | 32.2 | -158 | -140.9 | -99.4 | -177.5 | -6.2 | 113.4 | ||||
| 865 | N | 28.6 | Very low | 30.1 | Very low | 93 Ų | 93 | 140.6 Ų | 140.6 | 50% | 0.497 | 71% | 0.71 | S | S | . | * | trans | -123.2 | 143.3 | 149.3 | -55.9 | -45.2 | 0 | 0 | 0 | 105.1 | Q863 | Q863-N865 PolarHBondContact NE2-ND2 2.9Å; Q863-N865 PolarHBondContact NE2-OD1 3.44Å | ||
| 866 | T | 35.7 | Very low | 30.4 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 84% | 0.84 | 71% | 0.714 | S | S | * | * | cis | -119.8 | 147.3 | 14.9 | 44.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 867 | P | 28.6 | Very low | 30.3 | Very low | 95 Ų | 95 | 136.7 Ų | 136.7 | 62% | 0.617 | 71% | 0.705 | S | S | * | * | trans | -97.5 | -154.6 | 166.6 | 40 | -32.6 | 0 | 0 | 0 | 110.9 | ||||
| 868 | D | 28.8 | Very low | 30.4 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | trans | 71.7 | 136.2 | 168.7 | -54.1 | -32.6 | 0 | 0 | 0 | 116.2 | ||||
| 869 | I | 24 | Very low | 30.5 | Very low | 149 Ų | 149 | 131.2 Ų | 131.2 | 76% | 0.764 | 69% | 0.691 | S | S | * | * | cis | 72.9 | 75.8 | 34.3 | -47.5 | 168.2 | 0 | 0 | 0 | 112.3 | ||||
| 870 | I | 27.6 | Very low | 30.6 | Very low | 147 Ų | 147 | 130.9 Ų | 130.9 | 75% | 0.754 | 70% | 0.696 | S | S | * | * | trans | -122.5 | 113.9 | 146.1 | -63.8 | -174.9 | 0 | 0 | 0 | 108.8 | T872 | I870-T872 VanDerWaalsContact CG2-OG1 3.27Å; I870-T872 WeakPolarHBondContact CG2-OG1 3.1Å | ||
| 871 | S | 27.2 | Very low | 31.1 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 76% | 0.762 | 71% | 0.708 | S | S | * | * | trans | -120.6 | 87.6 | 161.5 | -69.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 872 | T | 25.5 | Very low | 31.8 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 67% | 0.669 | 71% | 0.713 | S | S | * | * | trans | -140.8 | 129.4 | 169.5 | 42.9 | 0 | 0 | 0 | 0 | 107.7 | I870 | I870-T872 VanDerWaalsContact CG2-OG1 3.27Å; I870-T872 WeakPolarHBondContact CG2-OG1 3.1Å | ||
| 873 | I | 26.4 | Very low | 31.8 | Very low | 148 Ų | 148 | 133 Ų | 133 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | 73.2 | 124.3 | 51.7 | -58.3 | 164.5 | 0 | 0 | 0 | 110.9 | |||||
| 874 | S | 27.5 | Very low | 31.6 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | 91.3 | 140.2 | 170.1 | -62.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 875 | R | 39.5 | Very low | 31.4 | Very low | 237 Ų | 237 | 131.4 Ų | 131.4 | 89% | 0.894 | 72% | 0.723 | S | S | * | * | trans | -80 | -178 | 167.8 | -51.1 | 151.8 | 158 | 168 | -11.3 | 109.9 | ||||
| 876 | P | 32.7 | Very low | 31.7 | Very low | 115 Ų | 115 | 135 Ų | 135 | 75% | 0.747 | 74% | 0.737 | S | S | * | * | cis | -135.5 | 175.6 | -20.1 | 36 | -16.5 | 0 | 0 | 0 | 116.4 | ||||
| 877 | N | 26.7 | Very low | 31.6 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 66% | 0.663 | 73% | 0.729 | S | S | * | * | trans | 63 | 138.6 | 151.3 | -91.7 | 2.2 | 0 | 0 | 0 | 125.8 | ||||
| 878 | S | 31.8 | Very low | 31.9 | Very low | 88 Ų | 88 | 137.9 Ų | 137.9 | 62% | 0.615 | 74% | 0.735 | S | S | * | * | trans | 76.7 | 107.1 | 142.4 | 53.3 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 879 | N | 36.8 | Very low | 32.2 | Very low | 77 Ų | 77 | 135.3 Ų | 135.3 | 41% | 0.412 | 72% | 0.724 | S | S | . | * | 61.6 | 162.7 | 123.7 | -50.4 | 106.3 | 0 | 0 | 0 | 123.6 | T889 T890 | N879-T889 VanDerWaalsContact CG-N 3.33Å; N879-T889 VanDerWaalsContact ND2-C 3.34Å; N879-T889 PolarHBondContact ND2-O 3.33Å; N879-T889 WeakPolarHBondContact OD1-CA 3.29Å; N879-T889 PolarHBondContact OD1-N 3.49Å; N879-T889 PolarHBondContact OD1-O 2.97Å; N879-T890 PolarHBondContact OD1-N 2.81Å | |||
| 880 | D | 37.6 | Very low | 32.8 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | cis | -170.5 | 171.5 | -41.1 | -99.4 | -53.5 | 0 | 0 | 0 | 112.4 | ||||
| 881 | V | 42.3 | Very low | 33.2 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 76% | 0.764 | 70% | 0.704 | S | S | * | * | trans | -145.3 | 133 | -177.3 | 179.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 882 | N | 46.3 | Very low | 33.5 | Very low | 146 Ų | 146 | 132.4 Ų | 132.4 | 78% | 0.781 | 71% | 0.705 | S | S | * | * | trans | 63.2 | 123.5 | 167.4 | -72.4 | -20.7 | 0 | 0 | 0 | 118.8 | ||||
| 883 | T | 33.4 | Very low | 33.8 | Very low | 136 Ų | 136 | 132 Ų | 132 | 83% | 0.834 | 71% | 0.706 | S | S | * | * | S | Bend | -140.8 | 126 | 50.7 | -59.5 | 0 | 0 | 0 | 0 | 113.3 | |||
| 884 | R | 25.5 | Very low | 34 | Very low | 219 Ų | 219 | 134.9 Ų | 134.9 | 83% | 0.826 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 59.8 | 108.6 | 177.5 | -166.4 | -168.8 | -176 | 172.7 | 3.3 | 115.1 | ||
| 885 | T | 26.7 | Very low | 34.1 | Very low | 114 Ų | 114 | 135.5 Ų | 135.5 | 70% | 0.699 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 56.1 | 123.6 | 163.4 | 47.6 | 0 | 0 | 0 | 0 | 118.8 | ||
| 886 | E | 35.2 | Very low | 33.7 | Very low | 169 Ų | 169 | 132 Ų | 132 | 79% | 0.79 | 69% | 0.694 | S | S | * | * | trans | 73.2 | 131 | 149.9 | -67.5 | -176.8 | 120.6 | 0 | 0 | 121.6 | ||||
| 887 | I | 33.4 | Very low | 33.5 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 69% | 0.687 | 70% | 0.695 | S | S | * | * | trans | 79.3 | 112.2 | 134.5 | -66.8 | 168.9 | 0 | 0 | 0 | 122 | ||||
| 888 | Q | 34.9 | Very low | 33.8 | Very low | 157 Ų | 157 | 129.6 Ų | 129.6 | 73% | 0.734 | 69% | 0.687 | S | S | * | * | trans | 66 | 142.2 | 137.1 | -74.8 | -173 | 2.3 | 0 | 0 | 127 | ||||
| 889 | T | 34.5 | Very low | 33.6 | Very low | 78 Ų | 78 | 132.1 Ų | 132.1 | 48% | 0.479 | 69% | 0.689 | S | S | . | * | trans | 92.1 | 144.2 | 133.7 | 44.3 | 0 | 0 | 0 | 0 | 125.7 | N879 | N879-T889 VanDerWaalsContact CG-N 3.33Å; N879-T889 VanDerWaalsContact ND2-C 3.34Å; N879-T889 PolarHBondContact ND2-O 3.33Å; N879-T889 WeakPolarHBondContact OD1-CA 3.29Å; N879-T889 PolarHBondContact OD1-N 3.49Å; N879-T889 PolarHBondContact OD1-O 2.97Å | ||
| 890 | T | 37 | Very low | 33.1 | Very low | 97 Ų | 97 | 131.6 Ų | 131.6 | 60% | 0.595 | 69% | 0.692 | S | S | * | * | trans | 75.2 | 110.1 | 143 | 38.5 | 0 | 0 | 0 | 0 | 124.4 | N879 | N879-T890 PolarHBondContact OD1-N 2.81Š| ||
| 891 | T | 35.5 | Very low | 32.5 | Very low | 83 Ų | 83 | 127.8 Ų | 127.8 | 51% | 0.509 | 67% | 0.671 | S | S | . | * | 40.8 | 156.2 | 117 | 69.8 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 892 | Q | 34.1 | Very low | 31.8 | Very low | 165 Ų | 165 | 127.4 Ų | 127.4 | 77% | 0.771 | 66% | 0.661 | S | S | * | * | trans | 88.6 | 128.7 | 135.4 | -95.1 | 176 | 77.4 | 0 | 0 | 120.2 | ||||
| 893 | S | 31.8 | Very low | 30.8 | Very low | 99 Ų | 99 | 128.6 Ų | 128.6 | 69% | 0.692 | 65% | 0.654 | S | S | * | * | trans | 70.2 | 176.1 | 142.6 | 83.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 894 | R | 31.1 | Very low | 30.4 | Very low | 209 Ų | 209 | 127.5 Ų | 127.5 | 79% | 0.789 | 65% | 0.651 | S | S | * | * | cis | -142.3 | 144.7 | 0.5 | -146 | 145.5 | -173.5 | -147 | -0.5 | 109.8 | ||||
| 895 | L | 28.6 | Very low | 30.5 | Very low | 129 Ų | 129 | 120.7 Ų | 120.7 | 68% | 0.675 | 64% | 0.637 | S | S | * | * | trans | 19.1 | 165.1 | 138.8 | -53.6 | 174 | 0 | 0 | 0 | 120.7 | ||||
| 896 | H | 31.7 | Very low | 30.5 | Very low | 162 Ų | 162 | 118.6 Ų | 118.6 | 75% | 0.75 | 63% | 0.627 | S | S | * | * | trans | 72.4 | 119.6 | 166.9 | -76 | -75.8 | 0 | 0 | 0 | 114.4 | ||||
| 897 | C | 29.3 | Very low | 30.1 | Very low | 112 Ų | 112 | 113.5 Ų | 113.5 | 76% | 0.757 | 61% | 0.61 | S | S | * | * | cis | 56.6 | 144.5 | 16.2 | -105.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 898 | P | 31.5 | Very low | 30.2 | Very low | 77 Ų | 77 | 115.8 Ų | 115.8 | 50% | 0.5 | 62% | 0.618 | S | S | . | * | cis | -137.9 | -144.9 | 22.8 | 21.3 | 7.8 | 0 | 0 | 0 | 111 | ||||
| 899 | E | 28.2 | Very low | 30.1 | Very low | 141 Ų | 141 | 113.2 Ų | 113.2 | 66% | 0.659 | 62% | 0.615 | S | S | * | * | trans | 51.8 | 146.6 | 131.5 | -81.5 | 138.3 | -120.8 | 0 | 0 | 122.1 | ||||
| 900 | S | 26.3 | Very low | 29.8 | Very low | 67 Ų | 67 | 116.1 Ų | 116.1 | 47% | 0.469 | 63% | 0.627 | S | S | . | * | cis | -175.3 | -175.5 | -16.6 | 48.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 901 | I | 26.2 | Very low | 29.5 | Very low | 64 Ų | 64 | 118.6 Ų | 118.6 | 33% | 0.328 | 64% | 0.636 | S | S | . | * | trans | 63.2 | 102.8 | 136.4 | -79 | 163.8 | 0 | 0 | 0 | 119.2 | T203 E205 | T203-I901 HydrophobicContact CG2-CG2 3.92Å; E205-I901 HydrophobicContact CG-CD1 3.83Å | ||
| 902 | E | 25.9 | Very low | 29.2 | Very low | 117 Ų | 117 | 119.8 Ų | 119.8 | 55% | 0.547 | 64% | 0.643 | S | S | . | * | 84.2 | 156.1 | 122.5 | -71.1 | -163.6 | 108.4 | 0 | 0 | 125 | |||||
| 903 | R | 26.6 | Very low | 29 | Very low | 172 Ų | 172 | 118.8 Ų | 118.8 | 65% | 0.649 | 64% | 0.643 | S | S | * | * | trans | 62.9 | 118 | 145.9 | -73.2 | 159 | -158.1 | -179.7 | 14.9 | 120.8 | ||||
| 904 | C | 25.4 | Very low | 29 | Very low | 112 Ų | 112 | 118.4 Ų | 118.4 | 76% | 0.757 | 64% | 0.64 | S | S | * | * | 28.8 | 150.3 | 112.3 | -53.1 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 905 | S | 26.3 | Very low | 29.1 | Very low | 77 Ų | 77 | 112.7 Ų | 112.7 | 54% | 0.538 | 63% | 0.632 | S | S | . | * | trans | 75.5 | 98.7 | 153.9 | -56 | 0 | 0 | 0 | 0 | 116 | ||||
| 906 | S | 27.5 | Very low | 29.2 | Very low | 70 Ų | 70 | 114.2 Ų | 114.2 | 49% | 0.49 | 64% | 0.639 | S | S | . | * | 89.1 | 148.1 | 77.9 | 69.1 | 0 | 0 | 0 | 0 | 114.4 | A199 | A199-S906 PolarHBondContact N-OG 3.42Š| |||
| 907 | S | 26 | Very low | 29.2 | Very low | 62 Ų | 62 | 110.9 Ų | 110.9 | 43% | 0.434 | 63% | 0.634 | S | S | . | * | trans | 67.2 | 122.6 | -179.9 | 24 | 0 | 0 | 0 | 0 | 116.6 | Q198 | Q198-S907 PolarHBondContact NE2-OG 3.03Š| ||
| 908 | E | 36.1 | Very low | 29.3 | Very low | 182 Ų | 182 | 110.2 Ų | 110.2 | 85% | 0.85 | 63% | 0.631 | S | S | * | * | 38.4 | 147.1 | 105.6 | -78.6 | 177 | 162 | 0 | 0 | 119.3 | |||||
| 909 | P | 33.1 | Very low | 29.3 | Very low | 103 Ų | 103 | 111.6 Ų | 111.6 | 67% | 0.669 | 64% | 0.642 | S | S | * | * | cis | -142.7 | 178.7 | 40.8 | 44.1 | -26.7 | 0 | 0 | 0 | 117.4 | ||||
| 910 | D | 27.6 | Very low | 29.4 | Very low | 138 Ų | 138 | 113.8 Ų | 113.8 | 74% | 0.738 | 65% | 0.65 | S | S | * | * | trans | 46.2 | 142.6 | 143 | -58.3 | -24.7 | 0 | 0 | 0 | 120.7 | ||||
| 911 | L | 30.1 | Very low | 29.6 | Very low | 149 Ų | 149 | 116 Ų | 116 | 78% | 0.78 | 66% | 0.66 | S | S | * | * | -158.5 | 140.4 | 51.2 | -83.7 | 166.9 | 0 | 0 | 0 | 113.5 | |||||
| 912 | V | 30.7 | Very low | 29.9 | Very low | 108 Ų | 108 | 119.4 Ų | 119.4 | 66% | 0.655 | 68% | 0.679 | S | S | * | * | trans | 77.6 | 114.1 | 131.7 | 174.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 913 | N | 29.5 | Very low | 30.3 | Very low | 145 Ų | 145 | 122.3 Ų | 122.3 | 78% | 0.775 | 69% | 0.692 | S | S | * | * | trans | 73.5 | 142.4 | 147.1 | -67.8 | 0.1 | 0 | 0 | 0 | 120.4 | ||||
| 914 | S | 32.1 | Very low | 31 | Very low | 90 Ų | 90 | 119.2 Ų | 119.2 | 63% | 0.629 | 70% | 0.695 | S | S | * | * | cis | -151.5 | 124.9 | -0.5 | -136.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 915 | S | 31.6 | Very low | 31 | Very low | 89 Ų | 89 | 122.8 Ų | 122.8 | 62% | 0.622 | 70% | 0.703 | S | S | * | * | 54.2 | 135.1 | 126.7 | 67.9 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 916 | I | 31.6 | Very low | 31.2 | Very low | 161 Ų | 161 | 130.4 Ų | 130.4 | 83% | 0.826 | 72% | 0.721 | S | S | * | * | trans | 78.4 | 128.5 | 142.4 | -71.4 | 162.7 | 0 | 0 | 0 | 117 | ||||
| 917 | S | 31.7 | Very low | 31.1 | Very low | 93 Ų | 93 | 130.6 Ų | 130.6 | 65% | 0.65 | 74% | 0.735 | S | S | * | * | cis | -164.8 | 171.7 | -12.4 | 62.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 918 | S | 31.6 | Very low | 31.3 | Very low | 97 Ų | 97 | 133.1 Ų | 133.1 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | trans | 62.8 | 96.7 | 142.7 | -63.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 919 | S | 31.3 | Very low | 30.8 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | 76.9 | 147.2 | 108.3 | 82.8 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 920 | K | 31.3 | Very low | 30.4 | Very low | 187 Ų | 187 | 132.1 Ų | 132.1 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | cis | -163 | 164.6 | 0.8 | -130.9 | 177 | -177.8 | 176 | 0 | 109.8 | ||||
| 921 | V | 30.2 | Very low | 30.4 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | trans | 75.3 | 113.8 | 148.5 | 168.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 922 | N | 31.7 | Very low | 30.3 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | 69 | 97.4 | 140.7 | -64.8 | 4.3 | 0 | 0 | 0 | 123.8 | ||||
| 923 | Q | 34.9 | Very low | 30.2 | Very low | 178 Ų | 178 | 131.5 Ų | 131.5 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | 72.2 | 152.6 | 106.5 | -70.5 | -85.3 | -29.7 | 0 | 0 | 120 | |||||
| 924 | P | 39.8 | Very low | 30.2 | Very low | 108 Ų | 108 | 130 Ų | 130 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | -113.5 | 162.5 | -155.5 | 41.4 | -32.4 | 0 | 0 | 0 | 115.5 | ||||
| 925 | M | 25.9 | Very low | 30 | Very low | 187 Ų | 187 | 136.6 Ų | 136.6 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | -146.3 | 170.9 | 146.3 | -138.3 | -173.1 | 179.1 | 0 | 0 | 111.4 | ||||
| 926 | Y | 30.2 | Very low | 29.9 | Very low | 236 Ų | 236 | 139.2 Ų | 139.2 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | trans | -60.9 | 139.2 | -176.9 | -85.4 | -115.6 | 0 | 0 | 0 | 112.4 | ||||
| 927 | G | 26 | Very low | 29.9 | Very low | 75 Ų | 75 | 134.6 Ų | 134.6 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -160.4 | 92.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 928 | S | 30.7 | Very low | 29.8 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -86.1 | 123.3 | 166.4 | -174.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 929 | V | 24.7 | Very low | 29.5 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -152.2 | 126.7 | 157 | -105.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 930 | D | 25.2 | Very low | 29.2 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | trans | -67.5 | 153.8 | 177.3 | -55.3 | -93.7 | 0 | 0 | 0 | 112.2 | N932 | D930-N932 PolarHBondContact O-ND2 2.68Š| ||
| 931 | S | 27.5 | Very low | 28.9 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | -126.2 | 92.9 | 160.8 | -70.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 932 | N | 28.2 | Very low | 28.6 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | 65.4 | 100.6 | 77 | -71.5 | -51.7 | 0 | 0 | 0 | 113.6 | D930 | D930-N932 PolarHBondContact O-ND2 2.68Š| |||
| 933 | S | 28.9 | Very low | 28.3 | Very low | 121 Ų | 121 | 136 Ų | 136 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -177.6 | 141.1 | 136.2 | 36 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 934 | S | 29.8 | Very low | 27.9 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | cis | -153.5 | 158.6 | -13.2 | 53.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 935 | W | 26.9 | Very low | 27.2 | Very low | 230 Ų | 230 | 136.5 Ų | 136.5 | 87% | 0.871 | 78% | 0.775 | S | S | * | * | trans | -94.3 | 149.4 | 169.6 | -88.4 | 69.6 | 0 | 0 | 0 | 111.1 | ||||
| 936 | I | 28.8 | Very low | 27.3 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | 26.2 | 116.3 | 150.1 | -59.8 | -175.4 | 0 | 0 | 0 | 118.2 | ||||
| 937 | G | 31.7 | Very low | 27.1 | Very low | 65 Ų | 65 | 128.9 Ų | 128.9 | 67% | 0.67 | 75% | 0.75 | S | S | * | * | 63.1 | 103.4 | 110.5 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 938 | A | 30 | Very low | 27.3 | Very low | 88 Ų | 88 | 131.7 Ų | 131.7 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | 53.7 | 119.2 | 133.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 939 | T | 26.2 | Very low | 27.3 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | trans | 73.6 | 119.7 | 137.6 | 52.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 940 | S | 24.4 | Very low | 27.5 | Very low | 101 Ų | 101 | 131.4 Ų | 131.4 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | trans | 79.1 | 121 | 136 | 55 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 941 | T | 24.2 | Very low | 27.8 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 72% | 0.724 | 72% | 0.722 | S | S | * | * | trans | 74.5 | 100.8 | 136.7 | 50.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 942 | T | 25.1 | Very low | 28.1 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | 71.4 | 118.6 | 124.4 | 59.3 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 943 | R | 25.3 | Very low | 28.2 | Very low | 209 Ų | 209 | 129.4 Ų | 129.4 | 79% | 0.789 | 71% | 0.71 | S | S | * | * | 69.5 | 131.9 | 126.6 | -73 | -178.6 | 169.1 | -176.2 | -2.1 | 120.5 | |||||
| 944 | R | 26.3 | Very low | 28.3 | Very low | 209 Ų | 209 | 130.1 Ų | 130.1 | 79% | 0.789 | 70% | 0.704 | S | S | * | * | trans | 67.9 | 118.2 | 148 | -66.2 | 176.7 | 176.2 | -173.4 | -4.6 | 115.1 | ||||
| 945 | S | 25.5 | Very low | 28.3 | Very low | 89 Ų | 89 | 130.5 Ų | 130.5 | 62% | 0.622 | 70% | 0.697 | S | S | * | * | 77.1 | 148.4 | 50.7 | 84.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 946 | N | 27.6 | Very low | 28.5 | Very low | 123 Ų | 123 | 125.3 Ų | 125.3 | 66% | 0.658 | 69% | 0.687 | S | S | * | * | trans | 79 | 140 | 173 | -56.6 | 51.4 | 0 | 0 | 0 | 115.1 | ||||
| 947 | E | 27.1 | Very low | 28.8 | Very low | 139 Ų | 139 | 128.5 Ų | 128.5 | 65% | 0.65 | 70% | 0.695 | S | S | * | * | cis | -172.3 | 167.8 | -13 | -120 | 170.1 | 155.5 | 0 | 0 | 112.1 | ||||
| 948 | H | 29.7 | Very low | 28.6 | Very low | 135 Ų | 135 | 132.4 Ų | 132.4 | 63% | 0.625 | 70% | 0.7 | S | S | * | * | trans | 69 | 151 | 148.9 | -75.6 | 36.8 | 0 | 0 | 0 | 119.1 | ||||
| 949 | Q | 30.3 | Very low | 28.8 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 60% | 0.603 | 70% | 0.702 | S | S | * | * | cis | -165.7 | 156.7 | -18 | -118 | -176.4 | 12.4 | 0 | 0 | 111.2 | ||||
| 950 | N | 29.3 | Very low | 29.2 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 60% | 0.599 | 70% | 0.699 | S | S | * | * | trans | 63.6 | 151.2 | 146.5 | -57.4 | -9.6 | 0 | 0 | 0 | 121.4 | ||||
| 951 | N | 31.3 | Very low | 29.6 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 66% | 0.663 | 71% | 0.707 | S | S | * | * | cis | -167 | 176.4 | -21.8 | -103.1 | -10.6 | 0 | 0 | 0 | 111.7 | ||||
| 952 | D | 34.3 | Very low | 29.9 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | trans | 95.9 | 86.7 | 147.2 | -65.7 | -45.6 | 0 | 0 | 0 | 124.2 | ||||
| 953 | C | 29.2 | Very low | 29.9 | Very low | 95 Ų | 95 | 139 Ų | 139 | 64% | 0.642 | 71% | 0.714 | S | S | * | * | 71.4 | 106.6 | 103.4 | -67 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 954 | N | 31.1 | Very low | 30.1 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 72% | 0.722 | 71% | 0.709 | S | S | * | * | 93.8 | 122.5 | 113.5 | -70.4 | -26.2 | 0 | 0 | 0 | 125.7 | |||||
| 955 | N | 30.3 | Very low | 30.3 | Very low | 121 Ų | 121 | 131 Ų | 131 | 65% | 0.647 | 71% | 0.705 | S | S | * | * | 87.3 | 96.9 | 129.6 | -79.7 | -39.6 | 0 | 0 | 0 | 124.9 | |||||
| 956 | N | 30.1 | Very low | 30.2 | Very low | 121 Ų | 121 | 134 Ų | 134 | 65% | 0.647 | 71% | 0.713 | S | S | * | * | 56.8 | 120.1 | 111.3 | -77.6 | -42.5 | 0 | 0 | 0 | 122.9 | |||||
| 957 | K | 35 | Very low | 30.1 | Very low | 210 Ų | 210 | 132 Ų | 132 | 91% | 0.913 | 71% | 0.709 | S | S | * | * | -168.7 | 148.7 | 112.7 | -100.8 | 156.6 | -173.2 | 173.4 | 0 | 112.2 | |||||
| 958 | N | 29.2 | Very low | 30 | Very low | 146 Ų | 146 | 133.2 Ų | 133.2 | 78% | 0.781 | 72% | 0.719 | S | S | * | * | trans | -122 | 159.7 | -163 | -59.1 | -19.3 | 0 | 0 | 0 | 114.1 | ||||
| 959 | A | 33 | Very low | 29.9 | Very low | 91 Ų | 91 | 134.1 Ų | 134.1 | 75% | 0.752 | 73% | 0.729 | S | S | * | * | trans | -152.2 | 116.9 | 156.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 960 | S | 35.1 | Very low | 29.7 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 33 | 137.8 | 159.2 | 59.3 | 0 | 0 | 0 | 0 | 122.1 | ||
| 961 | E | 32.8 | Very low | 29.6 | Very low | 185 Ų | 185 | 137.6 Ų | 137.6 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | cis | -166.6 | 107.1 | -8 | -99 | 168.7 | 155.3 | 0 | 0 | 102.8 | ||||
| 962 | M | 29.7 | Very low | 29.4 | Very low | 174 Ų | 174 | 137 Ų | 137 | 86% | 0.857 | 75% | 0.745 | S | S | * | * | 67 | 111.1 | 64.3 | -92.4 | -175.7 | 166 | 0 | 0 | 117.5 | |||||
| 963 | D | 26.2 | Very low | 29.1 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | 36 | 125.4 | 149.2 | -60.7 | -60 | 0 | 0 | 0 | 122.7 | ||||
| 964 | E | 29.9 | Very low | 29 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | -141.4 | 99.2 | 126.5 | -134.5 | -159 | 151.6 | 0 | 0 | 110.9 | L966 S967 | E964-L966 CarbonylContact C-O 3.53Å; E964-L966 VanDerWaalsContact C-O 3.32Å; E964-L966 WeakPolarHBondContact CB-O 3.49Å; E964-L966 WeakPolarHBondContact CG-O 3.12Å; E964-S967 VanDerWaalsContact OE1-CB 3.28Å; E964-S967 WeakPolarHBondContact OE1-CB 3.37Å; E964-S967 PolarHBondContact OE1-N 3.18Å; E964-S967 PolarHBondContact OE1-OG 3.13Å | |||
| 965 | S | 28.8 | Very low | 28.8 | Very low | 100 Ų | 100 | 143.1 Ų | 143.1 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | -84 | 137.1 | 148.4 | 62 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 966 | L | 23.9 | Very low | 28.6 | Very low | 152 Ų | 152 | 144 Ų | 144 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | trans | 70.5 | 153.1 | -150.1 | -41.8 | 171.2 | 0 | 0 | 0 | 108.5 | E964 | E964-L966 CarbonylContact C-O 3.53Å; E964-L966 VanDerWaalsContact C-O 3.32Å; E964-L966 WeakPolarHBondContact CB-O 3.49Å; E964-L966 WeakPolarHBondContact CG-O 3.12Å | ||
| 967 | S | 25.8 | Very low | 28.5 | Very low | 81 Ų | 81 | 143.5 Ų | 143.5 | 57% | 0.566 | 78% | 0.778 | S | S | * | * | cis | -135.4 | 155.5 | 27.9 | -69 | 0 | 0 | 0 | 0 | 115.5 | E964 N969 | E964-S967 VanDerWaalsContact OE1-CB 3.28Å; E964-S967 WeakPolarHBondContact OE1-CB 3.37Å; E964-S967 PolarHBondContact OE1-N 3.18Å; E964-S967 PolarHBondContact OE1-OG 3.13Å; S967-N969 PolarHBondContact O-N 3.06Å | ||
| 968 | L | 25.8 | Very low | 28.3 | Very low | 165 Ų | 165 | 143 Ų | 143 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -65.4 | 118.3 | 167 | -74.2 | 156.8 | 0 | 0 | 0 | 110.4 | ||||
| 969 | N | 26.8 | Very low | 28.3 | Very low | 154 Ų | 154 | 140.8 Ų | 140.8 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | -141.8 | 67.6 | 160.8 | -118.8 | -51.8 | 0 | 0 | 0 | 113.7 | S967 R971 | S967-N969 PolarHBondContact O-N 3.06Å; N969-R971 PolarHBondContact O-N 3.34Å | ||
| 970 | S | 26.7 | Very low | 28.2 | Very low | 98 Ų | 98 | 139.9 Ų | 139.9 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | trans | -55.5 | 120.5 | 169.4 | 54.9 | 0 | 0 | 0 | 0 | 112.2 | P972 | S970-P972 WeakPolarHBondContact O-CD 3.45Š| ||
| 971 | R | 26.6 | Very low | 28 | Very low | 217 Ų | 217 | 142.4 Ų | 142.4 | 82% | 0.819 | 78% | 0.777 | S | S | * | * | trans | -108.4 | 75.8 | 161.9 | -91.6 | -173.4 | 163.8 | -171.7 | -3.2 | 111.6 | N969 K973 | N969-R971 PolarHBondContact O-N 3.34Å; R971-K973 PolarHBondContact O-N 3.25Å | ||
| 972 | P | 26.8 | Very low | 27.8 | Very low | 110 Ų | 110 | 139 Ų | 139 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | trans | -72.7 | 91.7 | 176.2 | 31.5 | -34.3 | 0 | 0 | 0 | 110 | S970 K974 | S970-P972 WeakPolarHBondContact O-CD 3.45Å; P972-K974 PolarHBondContact O-N 3.29Å | ||
| 973 | K | 27.8 | Very low | 27.9 | Very low | 184 Ų | 184 | 141.3 Ų | 141.3 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | trans | -74.8 | 75.2 | 179.1 | -80.1 | -171.4 | 174.8 | 179.8 | 0 | 112.6 | R971 | R971-K973 PolarHBondContact O-N 3.25Š| ||
| 974 | K | 26.7 | Very low | 28 | Very low | 197 Ų | 197 | 143.1 Ų | 143.1 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | trans | 64.2 | 66.8 | 151.5 | -55.9 | -178 | 178.4 | -177.4 | 0 | 117.3 | P972 | P972-K974 PolarHBondContact O-N 3.29Š| ||
| 975 | S | 26.9 | Very low | 28.1 | Very low | 111 Ų | 111 | 144 Ų | 144 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -89.7 | 117.9 | 141.3 | 52.4 | 0 | 0 | 0 | 0 | 108.6 | S977 | S975-S977 PolarHBondContact O-N 3.36Å; S975-S977 VanDerWaalsContact O-N 3.14Å | ||
| 976 | V | 27.7 | Very low | 28 | Very low | 140 Ų | 140 | 146.9 Ų | 146.9 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | -78.1 | 99.7 | -179.3 | -179.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 977 | S | 27.6 | Very low | 28.5 | Very low | 109 Ų | 109 | 148 Ų | 148 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -82.7 | 105.9 | 165.7 | 51.9 | 0 | 0 | 0 | 0 | 109.3 | S975 | S975-S977 PolarHBondContact O-N 3.36Å; S975-S977 VanDerWaalsContact O-N 3.14Å | ||
| 978 | F | 30.7 | Very low | 28.6 | Very low | 199 Ų | 199 | 150 Ų | 150 | 87% | 0.873 | 79% | 0.793 | S | S | * | * | trans | -77.9 | 125.7 | 168.3 | -165.9 | -92.4 | 0 | 0 | 0 | 108.9 | ||||
| 979 | S | 29.2 | Very low | 29 | Very low | 100 Ų | 100 | 148 Ų | 148 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | trans | -83.4 | 148.4 | -174.4 | 43.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 980 | G | 31.6 | Very low | 29.3 | Very low | 73 Ų | 73 | 150.2 Ų | 150.2 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -162.4 | 86.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 981 | N | 29.7 | Very low | 29.5 | Very low | 159 Ų | 159 | 152.9 Ų | 152.9 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -78.7 | 123.9 | -177.8 | -70.9 | -12.8 | 0 | 0 | 0 | 111.7 | ||||
| 982 | I | 29.1 | Very low | 29.9 | Very low | 112 Ų | 112 | 148.2 Ų | 148.2 | 57% | 0.574 | 80% | 0.802 | S | S | * | * | trans | -133.3 | 95.8 | 153.7 | -52.5 | -177 | 0 | 0 | 0 | 110.8 | H225 | H225-I982 VanDerWaalsContact NE2-CD1 3.34Å; H225-I982 WeakPolarHBondContact NE2-CD1 3.35Å | ||
| 983 | R | 31.4 | Very low | 30.1 | Very low | 223 Ų | 223 | 150.8 Ų | 150.8 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | trans | 28 | 114.7 | 143.9 | -59.5 | 177.1 | -179 | 167.9 | 0.2 | 118.4 | ||||
| 984 | L | 28.9 | Very low | 30.4 | Very low | 173 Ų | 173 | 150 Ų | 150 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | trans | -58.4 | 138.7 | 150.3 | -125.4 | 74.5 | 0 | 0 | 0 | 109.4 | ||||
| 985 | L | 31.2 | Very low | 30.6 | Very low | 166 Ų | 166 | 147.2 Ų | 147.2 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | -100.7 | 124.7 | 163.8 | -78.6 | 174.8 | 0 | 0 | 0 | 109.3 | ||||
| 986 | Q | 27.9 | Very low | 30.8 | Very low | 161 Ų | 161 | 151.7 Ų | 151.7 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | -99.4 | 101.4 | -169.5 | -178.2 | 175.9 | -9.1 | 0 | 0 | 109.8 | N988 | Q986-N988 PolarHBondContact O-N 2.88Š| ||
| 987 | L | 34 | Very low | 31 | Very low | 175 Ų | 175 | 149.9 Ų | 149.9 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | trans | -86.7 | 104.2 | 169.6 | -74.4 | 175.3 | 0 | 0 | 0 | 109.2 | ||||
| 988 | N | 28.3 | Very low | 31.1 | Very low | 124 Ų | 124 | 151.9 Ų | 151.9 | 66% | 0.663 | 79% | 0.79 | S | S | * | * | trans | -66.3 | 139.6 | 173.8 | -71.5 | -29.3 | 0 | 0 | 0 | 110.8 | Q986 | Q986-N988 PolarHBondContact O-N 2.88Š| ||
| 989 | S | 33.2 | Very low | 31.2 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -133.8 | 124.9 | 145.1 | -72.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 990 | K | 34 | Very low | 31.4 | Very low | 201 Ų | 201 | 149.4 Ų | 149.4 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -101.6 | 142.2 | 173.7 | -85.7 | -171.1 | 171.2 | -173 | 0 | 108.7 | ||||
| 991 | D | 30.7 | Very low | 31.3 | Very low | 154 Ų | 154 | 151.7 Ų | 151.7 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -68.3 | 151.8 | 177.6 | -43.6 | -93 | 0 | 0 | 0 | 112.2 | ||||
| 992 | S | 35.4 | Very low | 31.4 | Very low | 119 Ų | 119 | 151.6 Ų | 151.6 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -158.8 | 142 | 136.2 | 40 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 993 | H | 30.2 | Very low | 31.6 | Very low | 164 Ų | 164 | 154.2 Ų | 154.2 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -75.3 | 159.3 | 173.3 | -67.5 | -105.7 | 0 | 0 | 0 | 110.6 | ||||
| 994 | H | 33.3 | Very low | 31.4 | Very low | 167 Ų | 167 | 149 Ų | 149 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | -179 | 145.4 | 106.8 | -91.7 | -54 | 0 | 0 | 0 | 115.7 | |||||
| 995 | H | 32.1 | Very low | 31.9 | Very low | 138 Ų | 138 | 146.6 Ų | 146.6 | 64% | 0.639 | 79% | 0.788 | S | S | * | * | trans | 52.8 | 103.2 | 143.1 | -72.2 | -63 | 0 | 0 | 0 | 123.5 | ||||
| 996 | Y | 30.4 | Very low | 31.9 | Very low | 205 Ų | 205 | 144.9 Ų | 144.9 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | 91.4 | 150.1 | 107.8 | -97.6 | -134.2 | 0 | 0 | 0 | 123 | |||||
| 997 | S | 32.9 | Very low | 32 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | 80.8 | 107 | 152.4 | -61.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 998 | D | 28.7 | Very low | 32 | Very low | 150 Ų | 150 | 142 Ų | 142 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | trans | -56 | 156.8 | 158 | -49 | -95.8 | 0 | 0 | 0 | 113.2 | ||||
| 999 | T | 33.3 | Very low | 32.4 | Very low | 141 Ų | 141 | 142.5 Ų | 142.5 | 87% | 0.865 | 77% | 0.774 | S | S | * | * | -178.9 | 169.1 | 116.2 | 25.6 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1000 | S | 33.4 | Very low | 32.4 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | trans | 67 | 87 | 164.2 | -165.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1001 | T | 30.1 | Very low | 32.4 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | trans | -10.3 | 139.7 | 133.3 | 54.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1002 | Q | 31.1 | Very low | 32.7 | Very low | 157 Ų | 157 | 142 Ų | 142 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | -177.1 | 146.2 | 115.8 | -85.8 | -112.2 | 1 | 0 | 0 | 112.8 | |||||
| 1003 | Q | 33.3 | Very low | 32.8 | Very low | 167 Ų | 167 | 143 Ų | 143 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | trans | 55.9 | 119.4 | 155 | -67.3 | 176.4 | 17.3 | 0 | 0 | 122 | ||||
| 1004 | S | 27.5 | Very low | 32.9 | Very low | 115 Ų | 115 | 145.7 Ų | 145.7 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 134.8 | 161.8 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1005 | P | 38.3 | Very low | 32.8 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 133.6 | 172.5 | -14.9 | 30.7 | 0 | 0 | 0 | 113.1 | ||
| 1006 | E | 31.6 | Very low | 32.7 | Very low | 130 Ų | 130 | 142.1 Ų | 142.1 | 61% | 0.607 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 156.3 | 174.6 | -81.8 | -172.3 | 102.5 | 0 | 0 | 114.2 | K1008 | E1006-K1008 VanDerWaalsContact C-N 3.27Å; E1006-K1008 HydrophobicContact CB-CD 4.3Å; E1006-K1008 HydrophobicContact CB-CG 4.35Å; E1006-K1008 PolarHBondContact O-N 3.09Å; E1006-K1008 WeakPolarHBondContact OE1-CE 3.38Å; E1006-K1008 IonicContact OE1-NZ 3.55Å; E1006-K1008 PolarHBondContact OE1-NZ 2.84Å; E1006-K1008 WeakPolarHBondContact OE2-CE 3.3Å; E1006-K1008 IonicContact OE2-NZ 2.68Å; E1006-K1008 PolarHBondContact OE2-NZ 3.43Å |
| 1007 | P | 31 | Very low | 32.8 | Very low | 134 Ų | 134 | 143.6 Ų | 143.6 | 87% | 0.87 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -74.8 | 72.5 | 172.9 | 33.6 | -36.9 | 0 | 0 | 0 | 111.9 | ||
| 1008 | K | 32.9 | Very low | 32.7 | Very low | 141 Ų | 141 | 142.5 Ų | 142.5 | 61% | 0.613 | 77% | 0.77 | S | S | * | * | trans | -128.2 | 154.7 | 178.7 | -70.7 | 175.6 | -174.8 | 162.7 | 0 | 111.8 | E1006 | E1006-K1008 VanDerWaalsContact C-N 3.27Å; E1006-K1008 HydrophobicContact CB-CD 4.3Å; E1006-K1008 HydrophobicContact CB-CG 4.35Å; E1006-K1008 PolarHBondContact O-N 3.09Å; E1006-K1008 WeakPolarHBondContact OE1-CE 3.38Å; E1006-K1008 IonicContact OE1-NZ 3.55Å; E1006-K1008 PolarHBondContact OE1-NZ 2.84Å; E1006-K1008 WeakPolarHBondContact OE2-CE 3.3Å; E1006-K1008 IonicContact OE2-NZ 2.68Å; E1006-K1008 PolarHBondContact OE2-NZ 3.43Å | ||
| 1009 | V | 36.3 | Very low | 32.9 | Very low | 135 Ų | 135 | 144.1 Ų | 144.1 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | 68.2 | 75.6 | -172.5 | -163.7 | 0 | 0 | 0 | 0 | 114.2 | P1011 | V1009-P1011 WeakPolarHBondContact O-CD 3.42Š| ||
| 1010 | I | 34.1 | Very low | 32.9 | Very low | 142 Ų | 142 | 145.9 Ų | 145.9 | 73% | 0.728 | 77% | 0.771 | S | S | * | * | trans | -58 | 125.6 | 150.9 | -61.7 | 171.3 | 0 | 0 | 0 | 107.4 | R1012 | I1010-R1012 PolarHBondContact O-N 3.13Š| ||
| 1011 | P | 33.8 | Very low | 33 | Very low | 69 Ų | 69 | 149.8 Ų | 149.8 | 45% | 0.448 | 78% | 0.777 | S | S | . | * | trans | -60.8 | 125 | 175.2 | -22.4 | 33.5 | 0 | 0 | 0 | 110.1 | V1009 N1013 W1014 | V1009-P1011 WeakPolarHBondContact O-CD 3.42Å; P1011-N1013 WeakPolarHBondContact CB-OD1 3.27Å; P1011-N1013 PolarHBondContact O-N 3.47Å; P1011-W1014 PolarHBondContact O-N 3.26Å | ||
| 1012 | R | 36.3 | Very low | 33.2 | Very low | 256 Ų | 256 | 149.3 Ų | 149.3 | 97% | 0.966 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 11.1 | -176.8 | -75.9 | 179 | 166.7 | 153.3 | -4.5 | 114.7 | I1010 | I1010-R1012 PolarHBondContact O-N 3.13Š|
| 1013 | N | 38.7 | Very low | 33.4 | Very low | 140 Ų | 140 | 147.2 Ų | 147.2 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -25.3 | 177.1 | -42.3 | 47.9 | 0 | 0 | 0 | 111.9 | P1011 G1015 | P1011-N1013 WeakPolarHBondContact CB-OD1 3.27Å; P1011-N1013 PolarHBondContact O-N 3.47Å; N1013-G1015 PolarHBondContact O-N 2.92Å |
| 1014 | W | 32 | Very low | 33.5 | Very low | 222 Ų | 222 | 143.4 Ų | 143.4 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | trans | -80.2 | 40.5 | -176.4 | -69.8 | 74.3 | 0 | 0 | 0 | 112.6 | P1011 | P1011-W1014 PolarHBondContact O-N 3.26Š| ||
| 1015 | G | 30.6 | Very low | 33.8 | Very low | 63 Ų | 63 | 146.5 Ų | 146.5 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | trans | -104.3 | 96.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N1013 Y1017 | N1013-G1015 PolarHBondContact O-N 2.92Å; G1015-Y1017 PolarHBondContact O-N 2.87Å | ||
| 1016 | L | 30.7 | Very low | 33.3 | Very low | 166 Ų | 166 | 149.3 Ų | 149.3 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | -2.3 | 97.2 | 157.4 | -68.1 | 161.6 | 0 | 0 | 0 | 116.9 | ||||
| 1017 | Y | 32.7 | Very low | 33.5 | Very low | 237 Ų | 237 | 147 Ų | 147 | 93% | 0.929 | 76% | 0.76 | S | S | * | * | trans | -156.9 | 148.1 | 135 | -97.2 | -68.3 | 0 | 0 | 0 | 108.7 | G1015 Q1019 | G1015-Y1017 PolarHBondContact O-N 2.87Å; Y1017-Q1019 PolarHBondContact O-N 3.45Å | ||
| 1018 | G | 30.4 | Very low | 33.8 | Very low | 80 Ų | 80 | 145.7 Ų | 145.7 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | trans | -74.8 | 119.5 | -155.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1019 | Q | 33.9 | Very low | 33.8 | Very low | 184 Ų | 184 | 150 Ų | 150 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -146.8 | 164.6 | 149.4 | -154.5 | 153.4 | -5.7 | 0 | 0 | 108.6 | Y1017 Q1021 | Y1017-Q1019 PolarHBondContact O-N 3.45Å; Q1019-Q1021 PolarHBondContact O-N 3.13Å | ||
| 1020 | E | 32.3 | Very low | 33.6 | Very low | 178 Ų | 178 | 148.2 Ų | 148.2 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 130.2 | -164.4 | -63.9 | 166.4 | 130 | 0 | 0 | 113.9 | P1022 | E1020-P1022 VanDerWaalsContact O-CD 3.25Å; E1020-P1022 WeakPolarHBondContact O-CD 3.17Å |
| 1021 | Q | 34.7 | Very low | 33.5 | Very low | 187 Ų | 187 | 145.4 Ų | 145.4 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 117.1 | 159.2 | -96.5 | -172.6 | -45 | 0 | 0 | 108 | Q1019 L1023 | Q1019-Q1021 PolarHBondContact O-N 3.13Å; Q1021-L1023 PolarHBondContact O-N 2.87Å; Q1021-L1023 VanDerWaalsContact O-N 3.12Å |
| 1022 | P | 34.1 | Very low | 33.5 | Very low | 112 Ų | 112 | 148.3 Ų | 148.3 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 116.1 | 163.5 | 27.9 | -31.7 | 0 | 0 | 0 | 107.4 | E1020 A1024 | E1020-P1022 VanDerWaalsContact O-CD 3.25Å; E1020-P1022 WeakPolarHBondContact O-CD 3.17Å; P1022-A1024 PolarHBondContact O-N 3.05Å |
| 1023 | L | 35.4 | Very low | 33.2 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 59% | 0.586 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 132.4 | 169 | -82.1 | 159.8 | 0 | 0 | 0 | 108.5 | Q298 Q1021 E1025 | Q298-L1023 HydrophobicContact CB-CB 4.07Å; Q298-L1023 HydrophobicContact CB-CD1 3.74Å; Q298-L1023 VanDerWaalsContact CD-CB 3.43Å; Q298-L1023 HydrophobicContact CG-CB 4.14Å; Q298-L1023 PolarHBondContact NE2-O 3.49Å; Q1021-L1023 PolarHBondContact O-N 2.87Å; Q1021-L1023 VanDerWaalsContact O-N 3.12Å; L1023-E1025 PolarHBondContact O-N 2.92Å; L1023-E1025 VanDerWaalsContact O-N 3.14Å |
| 1024 | A | 36.8 | Very low | 32.9 | Very low | 87 Ų | 87 | 141.9 Ų | 141.9 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -49 | 122.7 | -173 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q298 P1022 F1026 | Q298-A1024 PolarHBondContact NE2-O 3.13Å; P1022-A1024 PolarHBondContact O-N 3.05Å; A1024-F1026 PolarHBondContact O-N 3.16Å; A1024-F1026 VanDerWaalsContact O-N 3.11Å |
| 1025 | E | 32.4 | Very low | 32.9 | Very low | 180 Ų | 180 | 139 Ų | 139 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 117.8 | 178.5 | -175.1 | 173.2 | -170.7 | 0 | 0 | 108.3 | L1023 N1027 | L1023-E1025 PolarHBondContact O-N 2.92Å; L1023-E1025 VanDerWaalsContact O-N 3.14Å; E1025-N1027 PolarHBondContact O-N 3.43Å |
| 1026 | F | 29.2 | Very low | 33.2 | Very low | 180 Ų | 180 | 140.9 Ų | 140.9 | 79% | 0.789 | 77% | 0.766 | S | S | * | * | trans | -76.2 | 71.6 | -174 | -161.6 | -84.8 | 0 | 0 | 0 | 109.6 | A1024 P1028 | A1024-F1026 PolarHBondContact O-N 3.16Å; A1024-F1026 VanDerWaalsContact O-N 3.11Å; F1026-P1028 WeakPolarHBondContact O-CD 3.4Å; F1026-P1028 VanDerWaalsContact O-N 3.12Å | ||
| 1027 | N | 34.9 | Very low | 33.3 | Very low | 81 Ų | 81 | 142 Ų | 142 | 43% | 0.433 | 77% | 0.766 | S | S | . | * | trans | -62.4 | 109.2 | 179.9 | -178.1 | -10.7 | 0 | 0 | 0 | 109.2 | E1025 R1029 C1030 | E1025-N1027 PolarHBondContact O-N 3.43Å; N1027-R1029 PolarHBondContact O-N 3.02Å; N1027-R1029 WeakPolarHBondContact OD1-CB 2.88Å; N1027-R1029 PolarHBondContact OD1-N 3.2Å; N1027-R1029 VanDerWaalsContact OD1-N 3.12Å; N1027-C1030 PolarHBondContact ND2-SG 3.45Å; N1027-C1030 PolarHBondContact O-N 2.94Å; N1027-C1030 VanDerWaalsContact O-N 3.14Å | ||
| 1028 | P | 37.7 | Very low | 33.7 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -3.6 | -172.8 | -19.2 | 34.1 | 0 | 0 | 0 | 113.7 | F1026 | F1026-P1028 WeakPolarHBondContact O-CD 3.4Å; F1026-P1028 VanDerWaalsContact O-N 3.12Å |
| 1029 | R | 33.4 | Very low | 33.9 | Very low | 230 Ų | 230 | 141 Ų | 141 | 87% | 0.868 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 0.7 | -179.8 | -55.5 | -175.3 | 176.6 | -164.1 | -1.4 | 113.8 | N1027 | N1027-R1029 PolarHBondContact O-N 3.02Å; N1027-R1029 WeakPolarHBondContact OD1-CB 2.88Å; N1027-R1029 PolarHBondContact OD1-N 3.2Å; N1027-R1029 VanDerWaalsContact OD1-N 3.12Å |
| 1030 | C | 31.2 | Very low | 34 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 66% | 0.662 | 74% | 0.743 | S | S | * | * | trans | -110.9 | 17.4 | 179.9 | -64.9 | 0 | 0 | 0 | 0 | 114.1 | N1027 | N1027-C1030 PolarHBondContact ND2-SG 3.45Å; N1027-C1030 PolarHBondContact O-N 2.94Å; N1027-C1030 VanDerWaalsContact O-N 3.14Å | ||
| 1031 | S | 31.6 | Very low | 34.5 | Very low | 84 Ų | 84 | 135.8 Ų | 135.8 | 59% | 0.587 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -58.7 | 140.8 | 158.6 | -60.1 | 0 | 0 | 0 | 0 | 109.4 | S1033 | S1031-S1033 PolarHBondContact O-N 3.19Š|
| 1032 | P | 34.4 | Very low | 34.8 | Very low | 130 Ų | 130 | 130 Ų | 130 | 84% | 0.844 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 137.4 | -177 | 23.7 | -33.6 | 0 | 0 | 0 | 111.5 | ||
| 1033 | S | 30.4 | Very low | 35.1 | Very low | 104 Ų | 104 | 129 Ų | 129 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 148.7 | -173.6 | -171.8 | 0 | 0 | 0 | 0 | 113 | S1031 D1035 | S1031-S1033 PolarHBondContact O-N 3.19Å; S1033-D1035 PolarHBondContact O-N 2.84Å |
| 1034 | L | 32.9 | Very low | 36 | Very low | 157 Ų | 157 | 129.7 Ų | 129.7 | 82% | 0.822 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -5.3 | 107.7 | 157.6 | -67.2 | 150.3 | 0 | 0 | 0 | 116.1 | ||
| 1035 | D | 31.7 | Very low | 36.9 | Very low | 162 Ų | 162 | 130 Ų | 130 | 87% | 0.866 | 70% | 0.699 | S | S | * | * | trans | -171.7 | 65.3 | 144.3 | -103.6 | -23.9 | 0 | 0 | 0 | 111.6 | S1033 | S1033-D1035 PolarHBondContact O-N 2.84Š| ||
| 1036 | S | 35.9 | Very low | 38.7 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 71% | 0.713 | 68% | 0.678 | S | S | * | * | trans | -161.1 | 51.4 | 175.3 | -89.6 | 0 | 0 | 0 | 0 | 114.9 | K1038 | S1036-K1038 PolarHBondContact O-N 3.42Š| ||
| 1037 | E | 34 | Very low | 41 | Very low | 189 Ų | 189 | 121.2 Ų | 121.2 | 88% | 0.883 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 71 | 169.6 | -67 | -158.6 | 123.3 | 0 | 0 | 113 | ||
| 1038 | K | 39.6 | Very low | 43.2 | Very low | 209 Ų | 209 | 118.9 Ų | 118.9 | 91% | 0.909 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -164.9 | -11.7 | 167.5 | -104.4 | 128.9 | -163.4 | 157 | 0 | 115.8 | S1036 | S1036-K1038 PolarHBondContact O-N 3.42Š|
| 1039 | N | 35.6 | Very low | 45.4 | Very low | 87 Ų | 87 | 115.2 Ų | 115.2 | 47% | 0.465 | 63% | 0.632 | S | S | . | * | trans | -109.4 | 26.6 | -155.6 | -150.7 | 27.3 | 0 | 0 | 0 | 117.1 | K1041 S1042 | N1039-K1041 PolarHBondContact O-N 2.89Å; N1039-S1042 PolarHBondContact O-N 2.65Å; N1039-S1042 PolarHBondContact O-OG 2.67Å | ||
| 1040 | G | 36.4 | Very low | 48 | Very low | 72 Ų | 72 | 109.1 Ų | 109.1 | 74% | 0.742 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 24.6 | -180 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1041 | K | 41.8 | Very low | 50.8 | Low | 180 Ų | 180 | 110.1 Ų | 110.1 | 78% | 0.783 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | -17.1 | 178.5 | -69.7 | -178.1 | 178.4 | 177.8 | 0 | 113.9 | N1039 | N1039-K1041 PolarHBondContact O-N 2.89Š|
| 1042 | S | 41 | Very low | 53.7 | Low | 65 Ų | 65 | 106.4 Ų | 106.4 | 46% | 0.455 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -72.9 | -46.7 | -176 | 50.6 | 0 | 0 | 0 | 0 | 113 | N1039 H1044 H1045 | N1039-S1042 PolarHBondContact O-N 2.65Å; N1039-S1042 PolarHBondContact O-OG 2.67Å; S1042-H1044 VanDerWaalsContact C-N 3.27Å; S1042-H1044 PolarHBondContact O-N 2.98Å; S1042-H1045 WeakPolarHBondContact O-CB 3.35Å; S1042-H1045 PolarHBondContact O-N 2.98Å |
| 1043 | T | 41.4 | Very low | 56.5 | Low | 92 Ų | 92 | 104.3 Ų | 104.3 | 56% | 0.564 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -59.4 | -35 | -179.3 | 48.4 | 0 | 0 | 0 | 0 | 113.1 | H1045 S1046 | T1043-H1045 PolarHBondContact O-N 3.09Å; T1043-S1046 PolarHBondContact O-OG 3.26Å |
| 1044 | H | 53.2 | Low | 59.4 | Low | 126 Ų | 126 | 101.8 Ų | 101.8 | 58% | 0.583 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -72.7 | -15.5 | 179.7 | -153.6 | -40.4 | 0 | 0 | 0 | 112.9 | S1042 I1048 | S1042-H1044 VanDerWaalsContact C-N 3.27Å; S1042-H1044 PolarHBondContact O-N 2.98Å; H1044-I1048 VanDerWaalsContact O-CD1 3.31Å; H1044-I1048 WeakPolarHBondContact O-CD1 3.49Å; H1044-I1048 VanDerWaalsContact O-CG1 3.29Å; H1044-I1048 WeakPolarHBondContact O-CG1 3.44Å |
| 1045 | H | 57.1 | Low | 62.3 | Low | 95 Ų | 95 | 95.3 Ų | 95.3 | 44% | 0.44 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -78.2 | -49.2 | 175.3 | -155.7 | -59.7 | 0 | 0 | 0 | 110.7 | S1042 T1043 D1047 I1048 D1049 | S1042-H1045 WeakPolarHBondContact O-CB 3.35Å; S1042-H1045 PolarHBondContact O-N 2.98Å; T1043-H1045 PolarHBondContact O-N 3.09Å; H1045-D1047 VanDerWaalsContact C-N 3.35Å; H1045-D1047 PolarHBondContact O-N 2.99Å; H1045-I1048 WeakPolarHBondContact O-CB 3.46Å; H1045-I1048 PolarHBondContact O-N 3.39Å; H1045-I1048 VanDerWaalsContact O-N 3.08Å; H1045-D1049 IonicContact CE1-OD1 2.74Å; H1045-D1049 PolarHBondContact CE1-OD1 2.93Å; H1045-D1049 IonicContact CE1-OD2 3.19Å; H1045-D1049 PolarHBondContact CE1-OD2 3.49Å; H1045-D1049 IonicContact CG-OD2 2.7Å; H1045-D1049 VanDerWaalsContact ND1-CG 3.32Å; H1045-D1049 IonicContact ND1-OD1 2.76Å; H1045-D1049 PolarHBondContact ND1-OD1 3.31Å; H1045-D1049 IonicContact ND1-OD2 3.53Å; H1045-D1049 PolarHBondContact ND1-OD2 2.86Å; H1045-D1049 VanDerWaalsContact O-CG 3.23Å; H1045-D1049 PolarHBondContact O-N 3.43Å; H1045-D1049 VanDerWaalsContact O-OD2 3.1Å |
| 1046 | S | 70 | Confident | 65.2 | Low | 57 Ų | 57 | 87.6 Ų | 87.6 | 40% | 0.399 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.4 | -40 | -177.9 | 46.5 | 0 | 0 | 0 | 0 | 113.6 | T1043 I1048 D1049 V1050 | T1043-S1046 PolarHBondContact O-OG 3.26Å; S1046-I1048 VanDerWaalsContact C-N 3.29Å; S1046-I1048 PolarHBondContact O-N 3.22Å; S1046-D1049 PolarHBondContact O-N 2.86Å; S1046-V1050 WeakPolarHBondContact O-CB 3.22Å; S1046-V1050 VanDerWaalsContact O-CG2 3.31Å; S1046-V1050 WeakPolarHBondContact O-CG2 3.17Å; S1046-V1050 PolarHBondContact O-N 2.83Å |
| 1047 | D | 77.6 | Confident | 68 | Low | 118 Ų | 118 | 87 Ų | 87 | 63% | 0.631 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.8 | -33.7 | 178.6 | -71.3 | 4.1 | 0 | 0 | 0 | 112.2 | H1045 R1051 | H1045-D1047 VanDerWaalsContact C-N 3.35Å; H1045-D1047 PolarHBondContact O-N 2.99Å; D1047-R1051 WeakPolarHBondContact O-CB 2.97Å; D1047-R1051 PolarHBondContact O-N 2.86Å |
| 1048 | I | 80.3 | Confident | 70.8 | Confident | 32 Ų | 32 | 82.4 Ų | 82.4 | 16% | 0.164 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -72 | -44.2 | 176.4 | -71 | 176.9 | 0 | 0 | 0 | 110.1 | H1044 H1045 S1046 R1051 Y1052 | H1044-I1048 VanDerWaalsContact O-CD1 3.31Å; H1044-I1048 WeakPolarHBondContact O-CD1 3.49Å; H1044-I1048 VanDerWaalsContact O-CG1 3.29Å; H1044-I1048 WeakPolarHBondContact O-CG1 3.44Å; H1045-I1048 WeakPolarHBondContact O-CB 3.46Å; H1045-I1048 PolarHBondContact O-N 3.39Å; H1045-I1048 VanDerWaalsContact O-N 3.08Å; S1046-I1048 VanDerWaalsContact C-N 3.29Å; S1046-I1048 PolarHBondContact O-N 3.22Å; I1048-R1051 WeakPolarHBondContact O-CB 3.47Å; I1048-R1051 PolarHBondContact O-N 3.45Å; I1048-Y1052 HydrophobicContact CG2-CD2 3.72Å; I1048-Y1052 HydrophobicContact CG2-CE2 3.32Å; I1048-Y1052 VanDerWaalsContact O-CD2 3.25Å; I1048-Y1052 WeakPolarHBondContact O-CD2 3.45Å; I1048-Y1052 PolarHBondContact O-N 3.02Å |
| 1049 | D | 83.3 | Confident | 73.3 | Confident | 31 Ų | 31 | 72.5 Ų | 72.5 | 17% | 0.166 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.3 | -48.4 | 178.9 | -57.5 | -36 | 0 | 0 | 0 | 111.2 | H1045 S1046 R1051 Y1052 H1053 Q1227 | H1045-D1049 IonicContact CE1-OD1 2.74Å; H1045-D1049 PolarHBondContact CE1-OD1 2.93Å; H1045-D1049 IonicContact CE1-OD2 3.19Å; H1045-D1049 PolarHBondContact CE1-OD2 3.49Å; H1045-D1049 IonicContact CG-OD2 2.7Å; H1045-D1049 VanDerWaalsContact ND1-CG 3.32Å; H1045-D1049 IonicContact ND1-OD1 2.76Å; H1045-D1049 PolarHBondContact ND1-OD1 3.31Å; H1045-D1049 IonicContact ND1-OD2 3.53Å; H1045-D1049 PolarHBondContact ND1-OD2 2.86Å; H1045-D1049 VanDerWaalsContact O-CG 3.23Å; H1045-D1049 PolarHBondContact O-N 3.43Å; H1045-D1049 VanDerWaalsContact O-OD2 3.1Å; S1046-D1049 PolarHBondContact O-N 2.86Å; D1049-R1051 PolarHBondContact O-N 3.03Å; D1049-Y1052 CarbonylContact O-C 3.55Å; D1049-Y1052 WeakPolarHBondContact O-CA 3.41Å; D1049-Y1052 PolarHBondContact O-N 3.15Å; D1049-H1053 PolarHBondContact O-CD2 3.48Å; D1049-H1053 PolarHBondContact O-N 3.14Å; D1049-Q1227 PolarHBondContact OD1-NE2 2.88Å |
| 1050 | V | 88.5 | Confident | 76.1 | Confident | 102 Ų | 102 | 69 Ų | 69 | 62% | 0.618 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -56.8 | -40.1 | 176.3 | 169 | 0 | 0 | 0 | 0 | 111.3 | S1046 H1053 A1054 | S1046-V1050 WeakPolarHBondContact O-CB 3.22Å; S1046-V1050 VanDerWaalsContact O-CG2 3.31Å; S1046-V1050 WeakPolarHBondContact O-CG2 3.17Å; S1046-V1050 PolarHBondContact O-N 2.83Å; V1050-H1053 PolarHBondContact O-N 2.83Å; V1050-A1054 PolarHBondContact O-N 2.92Å |
| 1051 | R | 90.2 | Very high | 78.7 | Confident | 119 Ų | 119 | 71.1 Ų | 71.1 | 45% | 0.449 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.7 | -37.2 | 175 | -178.4 | 176.6 | 174.5 | -104.2 | -10.2 | 112.4 | D1047 I1048 D1049 M1055 D1123 | D1047-R1051 WeakPolarHBondContact O-CB 2.97Å; D1047-R1051 PolarHBondContact O-N 2.86Å; I1048-R1051 WeakPolarHBondContact O-CB 3.47Å; I1048-R1051 PolarHBondContact O-N 3.45Å; D1049-R1051 PolarHBondContact O-N 3.03Å; R1051-M1055 HydrophobicContact CG-CE 4.17Å; R1051-M1055 WeakPolarHBondContact O-CG 3.49Å; R1051-M1055 PolarHBondContact O-N 3.35Å; R1051-M1055 VanDerWaalsContact O-N 3.14Å; R1051-D1123 IonicContact CZ-OD1 2.65Å; R1051-D1123 IonicContact NH1-OD1 3.52Å; R1051-D1123 PolarHBondContact NH1-OD1 2.83Å; R1051-D1123 IonicContact NH1-OD2 3.07Å; R1051-D1123 IonicContact NH2-OD1 2.68Å; R1051-D1123 PolarHBondContact NH2-OD1 3.2Å |
| 1052 | Y | 93.1 | Very high | 81.1 | Confident | 6 Ų | 6 | 62.9 Ų | 62.9 | 2% | 0.024 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -74.6 | -39.2 | 175.7 | -69.3 | -47.3 | 0 | 0 | 0 | 113.2 | I1048 D1049 A1054 M1055 V1056 D1123 N1217 F1219 Q1227 L1230 | I1048-Y1052 HydrophobicContact CG2-CD2 3.72Å; I1048-Y1052 HydrophobicContact CG2-CE2 3.32Å; I1048-Y1052 VanDerWaalsContact O-CD2 3.25Å; I1048-Y1052 WeakPolarHBondContact O-CD2 3.45Å; I1048-Y1052 PolarHBondContact O-N 3.02Å; D1049-Y1052 CarbonylContact O-C 3.55Å; D1049-Y1052 WeakPolarHBondContact O-CA 3.41Å; D1049-Y1052 PolarHBondContact O-N 3.15Å; Y1052-A1054 VanDerWaalsContact C-N 3.27Å; Y1052-A1054 PolarHBondContact O-N 3.26Å; Y1052-M1055 HydrophobicContact CD1-CE 3.41Å; Y1052-M1055 VanDerWaalsContact CD1-CE 3.41Å; Y1052-M1055 HydrophobicContact CE1-CE 3.45Å; Y1052-M1055 VanDerWaalsContact CE1-CE 3.45Å; Y1052-M1055 PolarHBondContact O-N 2.97Å; Y1052-V1056 WeakPolarHBondContact O-CB 3.42Å; Y1052-V1056 WeakPolarHBondContact O-CG2 3.48Å; Y1052-V1056 PolarHBondContact O-N 3.43Å; Y1052-D1123 WeakPolarHBondContact CE1-OD2 3.39Å; Y1052-D1123 VanDerWaalsContact CZ-OD2 3.3Å; Y1052-D1123 PolarHBondContact OH-OD2 2.9Å; Y1052-N1217 PolarHBondContact OH-O 3.47Å; Y1052-F1219 HydrophobicContact CD1-CB 3.77Å; Y1052-F1219 AromaticContact CD1-CD2 3.61Å; Y1052-F1219 HydrophobicContact CD1-CD2 3.61Å; Y1052-F1219 HydrophobicContact CD1-CG 4.02Å; Y1052-F1219 HydrophobicContact CD2-CD2 4.32Å; Y1052-F1219 HydrophobicContact CE1-CB 3.52Å; Y1052-F1219 HydrophobicContact CE1-CD2 4.24Å; Y1052-F1219 HydrophobicContact CE1-CG 4.29Å; Y1052-F1219 AromaticContact CG-CD2 3.72Å; Y1052-F1219 HydrophobicContact CG-CD2 3.72Å; Y1052-F1219 PolarHBondContact OH-N 2.99Å; Y1052-Q1227 HydrophobicContact CD2-CG 4.46Å; Y1052-L1230 VanDerWaalsContact C-CD1 3.47Å |
| 1053 | H | 91.4 | Very high | 83.5 | Confident | 85 Ų | 85 | 59.8 Ų | 59.8 | 39% | 0.394 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.1 | -43.7 | 170.7 | -75.7 | -74.6 | 0 | 0 | 0 | 110.8 | D1049 V1050 N1057 L1230 | D1049-H1053 PolarHBondContact O-CD2 3.48Å; D1049-H1053 PolarHBondContact O-N 3.14Å; V1050-H1053 PolarHBondContact O-N 2.83Å; H1053-N1057 WeakPolarHBondContact O-CB 3.5Å; H1053-N1057 PolarHBondContact O-N 2.71Å; H1053-N1057 PolarHBondContact O-ND2 3.28Å; H1053-L1230 HydrophobicContact CB-CD1 4.42Å; H1053-L1230 WeakPolarHBondContact ND1-CD2 3.49Å |
| 1054 | A | 93 | Very high | 85.9 | Confident | 51 Ų | 51 | 60 Ų | 60 | 42% | 0.421 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.8 | -52.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1050 Y1052 V1056 N1057 D1058 | V1050-A1054 PolarHBondContact O-N 2.92Å; Y1052-A1054 VanDerWaalsContact C-N 3.27Å; Y1052-A1054 PolarHBondContact O-N 3.26Å; A1054-V1056 PolarHBondContact O-N 3.02Å; A1054-N1057 PolarHBondContact O-N 2.9Å; A1054-D1058 PolarHBondContact O-N 3.14Å |
| 1055 | M | 92.9 | Very high | 87.5 | Confident | 22 Ų | 22 | 58.1 Ų | 58.1 | 11% | 0.108 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69 | -30.8 | -176.9 | -66 | -172.2 | -54.8 | 0 | 0 | 113.4 | R1051 Y1052 V1059 I1119 L1120 D1123 | R1051-M1055 HydrophobicContact CG-CE 4.17Å; R1051-M1055 WeakPolarHBondContact O-CG 3.49Å; R1051-M1055 PolarHBondContact O-N 3.35Å; R1051-M1055 VanDerWaalsContact O-N 3.14Å; Y1052-M1055 HydrophobicContact CD1-CE 3.41Å; Y1052-M1055 VanDerWaalsContact CD1-CE 3.41Å; Y1052-M1055 HydrophobicContact CE1-CE 3.45Å; Y1052-M1055 VanDerWaalsContact CE1-CE 3.45Å; Y1052-M1055 PolarHBondContact O-N 2.97Å; M1055-V1059 PolarHBondContact O-N 3.36Å; M1055-I1119 HydrophobicContact SD-CG2 4.26Å; M1055-L1120 HydrophobicContact CB-CD1 3.93Å; M1055-L1120 HydrophobicContact CE-CD1 4.4Å; M1055-D1123 HydrophobicContact CE-CB 4.35Å |
| 1056 | V | 93.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -73 | -41 | 172.3 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | Y1052 A1054 D1058 V1059 I1060 L1120 F1219 L1230 L1234 | Y1052-V1056 WeakPolarHBondContact O-CB 3.42Å; Y1052-V1056 WeakPolarHBondContact O-CG2 3.48Å; Y1052-V1056 PolarHBondContact O-N 3.43Å; A1054-V1056 PolarHBondContact O-N 3.02Å; V1056-D1058 VanDerWaalsContact C-N 3.29Å; V1056-D1058 PolarHBondContact O-N 3.36Å; V1056-V1059 PolarHBondContact O-N 2.76Å; V1056-V1059 VanDerWaalsContact O-N 3.09Å; V1056-I1060 HydrophobicContact CG1-CD1 3.74Å; V1056-I1060 HydrophobicContact CG1-CG1 4.2Å; V1056-I1060 WeakPolarHBondContact O-CG1 3.41Å; V1056-I1060 PolarHBondContact O-N 2.94Å; V1056-L1120 HydrophobicContact CG2-CD1 4.12Å; V1056-L1120 HydrophobicContact CG2-CD2 4.11Å; V1056-F1219 HydrophobicContact CG2-CE1 4.25Å; V1056-F1219 HydrophobicContact CG2-CE2 3.7Å; V1056-F1219 HydrophobicContact CG2-CZ 3.5Å; V1056-F1219 VanDerWaalsContact CG2-CZ 3.5Å; V1056-L1230 HydrophobicContact CB-CD1 4.48Å; V1056-L1230 HydrophobicContact CB-CD2 4.1Å; V1056-L1230 HydrophobicContact CG1-CD2 4.02Å; V1056-L1230 HydrophobicContact CG2-CB 4.42Å; V1056-L1230 HydrophobicContact CG2-CD1 4.17Å; V1056-L1230 HydrophobicContact CG2-CD2 4.46Å; V1056-L1234 HydrophobicContact CG1-CB 4.14Å; V1056-L1234 HydrophobicContact CG1-CD1 4.44Å |
| 1057 | N | 93.3 | Very high | 89.8 | Confident | 89 Ų | 89 | 52.2 Ų | 52.2 | 48% | 0.476 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.4 | -34.6 | 174.7 | -78 | -31.7 | 0 | 0 | 0 | 112.8 | H1053 A1054 I1060 K1061 | H1053-N1057 WeakPolarHBondContact O-CB 3.5Å; H1053-N1057 PolarHBondContact O-N 2.71Å; H1053-N1057 PolarHBondContact O-ND2 3.28Å; A1054-N1057 PolarHBondContact O-N 2.9Å; N1057-I1060 PolarHBondContact O-N 2.96Å; N1057-K1061 WeakPolarHBondContact O-CB 3.45Å; N1057-K1061 PolarHBondContact O-N 3.03Å |
| 1058 | D | 92.9 | Very high | 90.2 | Very high | 93 Ų | 93 | 49.4 Ų | 49.4 | 50% | 0.497 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 172.6 | -81.4 | -27.8 | 0 | 0 | 0 | 112.3 | A1054 V1056 A1062 P1116 | A1054-D1058 PolarHBondContact O-N 3.14Å; V1056-D1058 VanDerWaalsContact C-N 3.29Å; V1056-D1058 PolarHBondContact O-N 3.36Å; D1058-A1062 WeakPolarHBondContact O-CB 3.41Å; D1058-A1062 PolarHBondContact O-N 3.01Å; D1058-A1062 VanDerWaalsContact O-N 3.13Å; D1058-P1116 HydrophobicContact CB-CB 4.05Å |
| 1059 | V | 93.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.2 | -49.7 | 173.2 | -178.4 | 0 | 0 | 0 | 0 | 110.7 | M1055 V1056 K1061 A1062 V1063 P1116 L1117 L1120 L1234 L1238 | M1055-V1059 PolarHBondContact O-N 3.36Å; V1056-V1059 PolarHBondContact O-N 2.76Å; V1056-V1059 VanDerWaalsContact O-N 3.09Å; V1059-K1061 VanDerWaalsContact C-N 3.29Å; V1059-K1061 PolarHBondContact O-N 3.39Å; V1059-A1062 PolarHBondContact O-N 3.07Å; V1059-A1062 VanDerWaalsContact O-N 3.14Å; V1059-V1063 HydrophobicContact CG1-CG2 4.35Å; V1059-V1063 WeakPolarHBondContact O-CG2 3.46Å; V1059-V1063 PolarHBondContact O-N 3.23Å; V1059-P1116 HydrophobicContact CG2-CB 3.77Å; V1059-P1116 HydrophobicContact CG2-CG 4.23Å; V1059-L1117 HydrophobicContact CG2-CB 4.46Å; V1059-L1120 HydrophobicContact CG2-CD2 4.11Å; V1059-L1234 HydrophobicContact CB-CD1 4.04Å; V1059-L1234 HydrophobicContact CG1-CD1 3.7Å; V1059-L1238 HydrophobicContact CG1-CD2 4.43Å |
| 1060 | I | 93.3 | Very high | 90.1 | Very high | 13 Ų | 13 | 50.6 Ų | 50.6 | 7% | 0.067 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.2 | -45.9 | 179.3 | -73.9 | 176 | 0 | 0 | 0 | 110.6 | V1056 N1057 V1063 Q1064 D1233 H1237 | V1056-I1060 HydrophobicContact CG1-CD1 3.74Å; V1056-I1060 HydrophobicContact CG1-CG1 4.2Å; V1056-I1060 WeakPolarHBondContact O-CG1 3.41Å; V1056-I1060 PolarHBondContact O-N 2.94Å; N1057-I1060 PolarHBondContact O-N 2.96Å; I1060-V1063 WeakPolarHBondContact O-CB 3.25Å; I1060-V1063 PolarHBondContact O-N 3.38Å; I1060-Q1064 HydrophobicContact CG2-CG 4.45Å; I1060-Q1064 VanDerWaalsContact CG2-NE2 3.32Å; I1060-Q1064 WeakPolarHBondContact O-CB 3Å; I1060-Q1064 VanDerWaalsContact O-CG 3.29Å; I1060-Q1064 WeakPolarHBondContact O-CG 3.43Å; I1060-Q1064 PolarHBondContact O-N 3.33Å; I1060-D1233 HydrophobicContact CD1-CB 4.19Å; I1060-H1237 HydrophobicContact CG1-CB 4.1Å |
| 1061 | K | 92.1 | Very high | 89.8 | Confident | 116 Ų | 116 | 49.7 Ų | 49.7 | 50% | 0.504 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 176.7 | 179 | -178.9 | 169.8 | -173 | 0 | 112.3 | N1057 V1059 V1063 Q1064 E1065 | N1057-K1061 WeakPolarHBondContact O-CB 3.45Å; N1057-K1061 PolarHBondContact O-N 3.03Å; V1059-K1061 VanDerWaalsContact C-N 3.29Å; V1059-K1061 PolarHBondContact O-N 3.39Å; K1061-V1063 VanDerWaalsContact C-N 3.28Å; K1061-V1063 PolarHBondContact O-N 2.93Å; K1061-Q1064 PolarHBondContact O-N 3.5Å; K1061-E1065 WeakPolarHBondContact CE-OE1 3.49Å; K1061-E1065 WeakPolarHBondContact O-CG 3.07Å; K1061-E1065 PolarHBondContact O-N 2.69Å |
| 1062 | A | 92 | Very high | 89 | Confident | 8 Ų | 8 | 47 Ų | 47 | 7% | 0.066 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.7 | -35.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1058 V1059 T1066 A1112 V1113 P1116 | D1058-A1062 WeakPolarHBondContact O-CB 3.41Å; D1058-A1062 PolarHBondContact O-N 3.01Å; D1058-A1062 VanDerWaalsContact O-N 3.13Å; V1059-A1062 PolarHBondContact O-N 3.07Å; V1059-A1062 VanDerWaalsContact O-N 3.14Å; A1062-T1066 WeakPolarHBondContact O-CB 3.36Å; A1062-T1066 PolarHBondContact O-N 3.34Å; A1062-T1066 PolarHBondContact O-OG1 3.08Å; A1062-A1112 HydrophobicContact CB-CB 4.34Å; A1062-A1112 WeakPolarHBondContact CB-O 3.31Å; A1062-V1113 HydrophobicContact CB-CG2 4.25Å; A1062-P1116 HydrophobicContact CB-CG 4Å |
| 1063 | V | 91.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.3 | -47.7 | 171.1 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | V1059 I1060 K1061 E1065 T1066 V1067 V1113 H1237 L1238 L1241 | V1059-V1063 HydrophobicContact CG1-CG2 4.35Å; V1059-V1063 WeakPolarHBondContact O-CG2 3.46Å; V1059-V1063 PolarHBondContact O-N 3.23Å; I1060-V1063 WeakPolarHBondContact O-CB 3.25Å; I1060-V1063 PolarHBondContact O-N 3.38Å; K1061-V1063 VanDerWaalsContact C-N 3.28Å; K1061-V1063 PolarHBondContact O-N 2.93Å; V1063-E1065 PolarHBondContact O-N 2.76Å; V1063-T1066 CarbonylContact O-C 3.51Å; V1063-T1066 WeakPolarHBondContact O-CA 3.46Å; V1063-T1066 VanDerWaalsContact O-CB 3.28Å; V1063-T1066 WeakPolarHBondContact O-CB 3.26Å; V1063-T1066 PolarHBondContact O-N 3.26Å; V1063-V1067 HydrophobicContact CG1-CG2 4.2Å; V1063-V1067 WeakPolarHBondContact O-CG2 3.43Å; V1063-V1067 PolarHBondContact O-N 3.23Å; V1063-V1113 HydrophobicContact CG2-CG1 3.91Å; V1063-V1113 HydrophobicContact CG2-CG2 4.16Å; V1063-H1237 HydrophobicContact CG1-CB 4.19Å; V1063-H1237 WeakPolarHBondContact CG1-O 3.25Å; V1063-L1238 HydrophobicContact CG2-CD2 4.08Å; V1063-L1241 HydrophobicContact CG1-CD2 4Å; V1063-L1241 HydrophobicContact CG1-CG 4.09Å; V1063-L1241 HydrophobicContact CG2-CD1 4.16Å; V1063-L1241 HydrophobicContact CG2-CG 4.38Å |
| 1064 | Q | 90.5 | Very high | 85.1 | Confident | 95 Ų | 95 | 50.6 Ų | 50.6 | 44% | 0.444 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 178.7 | -71.5 | 171.5 | 2.4 | 0 | 0 | 112.2 | I1060 K1061 T1066 V1067 A1068 H1237 | I1060-Q1064 HydrophobicContact CG2-CG 4.45Å; I1060-Q1064 VanDerWaalsContact CG2-NE2 3.32Å; I1060-Q1064 WeakPolarHBondContact O-CB 3Å; I1060-Q1064 VanDerWaalsContact O-CG 3.29Å; I1060-Q1064 WeakPolarHBondContact O-CG 3.43Å; I1060-Q1064 PolarHBondContact O-N 3.33Å; K1061-Q1064 PolarHBondContact O-N 3.5Å; Q1064-T1066 VanDerWaalsContact C-N 3.26Å; Q1064-T1066 PolarHBondContact O-N 3.2Å; Q1064-V1067 PolarHBondContact O-N 3.12Å; Q1064-A1068 WeakPolarHBondContact O-CB 3.19Å; Q1064-A1068 PolarHBondContact O-N 2.8Å; Q1064-H1237 PolarHBondContact NE2-NE2 3.28Å; Q1064-H1237 VanDerWaalsContact NE2-NE2 3.11Å |
| 1065 | E | 87.9 | Confident | 83.3 | Confident | 87 Ų | 87 | 51.5 Ų | 51.5 | 41% | 0.407 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.2 | -34.8 | 171 | -73.9 | -174.5 | -153.3 | 0 | 0 | 111.7 | K1061 V1063 Y1069 | K1061-E1065 WeakPolarHBondContact CE-OE1 3.49Å; K1061-E1065 WeakPolarHBondContact O-CG 3.07Å; K1061-E1065 PolarHBondContact O-N 2.69Å; V1063-E1065 PolarHBondContact O-N 2.76Å; E1065-Y1069 PolarHBondContact O-N 3.46Å; E1065-Y1069 VanDerWaalsContact O-N 3.12Å |
| 1066 | T | 86.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70.7 | -48.8 | 176.3 | -63.7 | 0 | 0 | 0 | 0 | 112.9 | A1062 V1063 Q1064 A1068 Y1069 Y1070 P1109 L1110 V1113 L1241 | A1062-T1066 WeakPolarHBondContact O-CB 3.36Å; A1062-T1066 PolarHBondContact O-N 3.34Å; A1062-T1066 PolarHBondContact O-OG1 3.08Å; V1063-T1066 CarbonylContact O-C 3.51Å; V1063-T1066 WeakPolarHBondContact O-CA 3.46Å; V1063-T1066 VanDerWaalsContact O-CB 3.28Å; V1063-T1066 WeakPolarHBondContact O-CB 3.26Å; V1063-T1066 PolarHBondContact O-N 3.26Å; Q1064-T1066 VanDerWaalsContact C-N 3.26Å; Q1064-T1066 PolarHBondContact O-N 3.2Å; T1066-A1068 VanDerWaalsContact C-N 3.34Å; T1066-Y1069 PolarHBondContact O-N 3.37Å; T1066-Y1070 HydrophobicContact CG2-CD2 3.97Å; T1066-Y1070 HydrophobicContact CG2-CE2 3.76Å; T1066-Y1070 VanDerWaalsContact O-CD2 3.26Å; T1066-Y1070 WeakPolarHBondContact O-CD2 3.44Å; T1066-Y1070 PolarHBondContact O-N 3.41Å; T1066-P1109 HydrophobicContact CG2-CB 4.06Å; T1066-P1109 WeakPolarHBondContact OG1-CB 3.39Å; T1066-P1109 PolarHBondContact OG1-O 3.08Å; T1066-L1110 HydrophobicContact CG2-CD2 3.66Å; T1066-L1110 HydrophobicContact CG2-CG 4.15Å; T1066-V1113 WeakPolarHBondContact OG1-CG2 3.4Å; T1066-L1241 HydrophobicContact CG2-CD2 3.68Å |
| 1067 | V | 87.7 | Confident | 78.5 | Confident | 28 Ų | 28 | 59.5 Ų | 59.5 | 17% | 0.17 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 175.8 | 175 | 0 | 0 | 0 | 0 | 109.6 | V1063 Q1064 Y1069 Y1070 C1071 Q1240 L1241 F1244 | V1063-V1067 HydrophobicContact CG1-CG2 4.2Å; V1063-V1067 WeakPolarHBondContact O-CG2 3.43Å; V1063-V1067 PolarHBondContact O-N 3.23Å; Q1064-V1067 PolarHBondContact O-N 3.12Å; V1067-Y1069 VanDerWaalsContact C-N 3.34Å; V1067-Y1069 PolarHBondContact O-N 3.4Å; V1067-Y1070 PolarHBondContact O-N 2.85Å; V1067-C1071 VanDerWaalsContact O-CB 3.24Å; V1067-C1071 WeakPolarHBondContact O-CB 3.33Å; V1067-C1071 PolarHBondContact O-N 3.32Å; V1067-C1071 PolarHBondContact O-SG 3.12Å; V1067-C1071 VanDerWaalsContact O-SG 3.36Å; V1067-Q1240 HydrophobicContact CG2-CB 3.97Å; V1067-L1241 HydrophobicContact CG2-CD2 4.45Å; V1067-F1244 HydrophobicContact CB-CE2 4.48Å; V1067-F1244 HydrophobicContact CG1-CE2 4.28Å; V1067-F1244 HydrophobicContact CG1-CZ 4.22Å; V1067-F1244 HydrophobicContact CG2-CE2 4.12Å |
| 1068 | A | 85.9 | Confident | 75.8 | Confident | 59 Ų | 59 | 63.1 Ų | 63.1 | 49% | 0.488 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.2 | -37.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q1064 T1066 N1072 | Q1064-A1068 WeakPolarHBondContact O-CB 3.19Å; Q1064-A1068 PolarHBondContact O-N 2.8Å; T1066-A1068 VanDerWaalsContact C-N 3.34Å; A1068-N1072 WeakPolarHBondContact O-CB 3.29Å; A1068-N1072 PolarHBondContact O-N 3.28Å |
| 1069 | Y | 82.2 | Confident | 73.2 | Confident | 59 Ų | 59 | 64.8 Ų | 64.8 | 23% | 0.231 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.2 | -49.5 | 174.3 | 179.8 | -85.6 | 0 | 0 | 0 | 111.7 | E1065 T1066 V1067 N1072 I1075 P1109 | E1065-Y1069 PolarHBondContact O-N 3.46Å; E1065-Y1069 VanDerWaalsContact O-N 3.12Å; T1066-Y1069 PolarHBondContact O-N 3.37Å; V1067-Y1069 VanDerWaalsContact C-N 3.34Å; V1067-Y1069 PolarHBondContact O-N 3.4Å; Y1069-N1072 PolarHBondContact O-N 3.27Å; Y1069-I1075 HydrophobicContact CD2-CD1 4.01Å; Y1069-I1075 HydrophobicContact CE2-CD1 4.3Å; Y1069-I1075 HydrophobicContact CE2-CG2 4.27Å; Y1069-P1109 HydrophobicContact CD1-CG 3.38Å; Y1069-P1109 HydrophobicContact CD2-CG 3.73Å; Y1069-P1109 HydrophobicContact CE1-CG 3.89Å; Y1069-P1109 HydrophobicContact CE2-CG 4.21Å; Y1069-P1109 HydrophobicContact CG-CB 4.42Å; Y1069-P1109 HydrophobicContact CG-CG 3.27Å |
| 1070 | Y | 79.5 | Confident | 70.6 | Confident | 29 Ų | 29 | 71 Ų | 71 | 11% | 0.114 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -75.3 | -23.8 | -178.3 | -66.3 | -55.8 | 0 | 0 | 0 | 114 | T1066 V1067 Y1096 L1110 F1244 F1246 | T1066-Y1070 HydrophobicContact CG2-CD2 3.97Å; T1066-Y1070 HydrophobicContact CG2-CE2 3.76Å; T1066-Y1070 VanDerWaalsContact O-CD2 3.26Å; T1066-Y1070 WeakPolarHBondContact O-CD2 3.44Å; T1066-Y1070 PolarHBondContact O-N 3.41Å; V1067-Y1070 PolarHBondContact O-N 2.85Å; Y1070-Y1096 HydrophobicContact CD1-CD1 4.08Å; Y1070-Y1096 AromaticContact CD1-CE1 3.75Å; Y1070-Y1096 HydrophobicContact CD1-CE1 3.75Å; Y1070-Y1096 HydrophobicContact CE1-CD1 4.04Å; Y1070-Y1096 HydrophobicContact CE1-CE1 4.19Å; Y1070-L1110 HydrophobicContact CE2-CD1 4.09Å; Y1070-L1110 HydrophobicContact CE2-CD2 4.35Å; Y1070-L1110 HydrophobicContact CE2-CG 4.01Å; Y1070-L1110 WeakPolarHBondContact OH-CD1 3.45Å; Y1070-F1244 HydrophobicContact CD2-CD1 4.43Å; Y1070-F1244 HydrophobicContact CD2-CG 4.49Å; Y1070-F1244 HydrophobicContact CG-CD1 4.2Å; Y1070-F1244 HydrophobicContact CG-CE1 4.35Å; Y1070-F1246 HydrophobicContact CD2-CE1 4.42Å; Y1070-F1246 AromaticContact CE2-CE1 3.94Å; Y1070-F1246 HydrophobicContact CE2-CE1 3.94Å |
| 1071 | C | 81.8 | Confident | 67.8 | Low | 84 Ų | 84 | 78.1 Ų | 78.1 | 57% | 0.568 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -79.3 | -14.3 | 173.2 | -75.6 | 0 | 0 | 0 | 0 | 113.9 | V1067 P1073 | V1067-C1071 VanDerWaalsContact O-CB 3.24Å; V1067-C1071 WeakPolarHBondContact O-CB 3.33Å; V1067-C1071 PolarHBondContact O-N 3.32Å; V1067-C1071 PolarHBondContact O-SG 3.12Å; V1067-C1071 VanDerWaalsContact O-SG 3.36Å; C1071-P1073 WeakPolarHBondContact O-CD 3.42Å |
| 1072 | N | 74 | Confident | 65.1 | Low | 62 Ų | 62 | 82.1 Ų | 82.1 | 33% | 0.332 | 42% | 0.422 | S | S | . | . | trans | -88.6 | 104 | -176.8 | -171.3 | -11.2 | 0 | 0 | 0 | 111.6 | A1068 Y1069 N1074 I1075 | A1068-N1072 WeakPolarHBondContact O-CB 3.29Å; A1068-N1072 PolarHBondContact O-N 3.28Å; Y1069-N1072 PolarHBondContact O-N 3.27Å; N1072-N1074 PolarHBondContact O-N 3.09Å; N1072-N1074 WeakPolarHBondContact OD1-CB 3.38Å; N1072-N1074 PolarHBondContact OD1-N 3.14Å; N1072-I1075 HydrophobicContact CB-CD1 4.16Å; N1072-I1075 HydrophobicContact CB-CG1 4.37Å | ||
| 1073 | P | 54.4 | Low | 62.5 | Low | 72 Ų | 72 | 88.9 Ų | 88.9 | 47% | 0.468 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -26.7 | -176.3 | 29.1 | -36.1 | 0 | 0 | 0 | 112.6 | C1071 I1075 N1076 L1077 | C1071-P1073 WeakPolarHBondContact O-CD 3.42Å; P1073-I1075 PolarHBondContact O-N 2.89Å; P1073-N1076 PolarHBondContact O-N 3.01Å; P1073-L1077 PolarHBondContact O-N 3Å |
| 1074 | N | 49.3 | Very low | 59.5 | Low | 95 Ų | 95 | 96.8 Ų | 96.8 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.6 | -17.3 | -171.7 | -61.2 | -40.4 | 0 | 0 | 0 | 113.4 | N1072 K1078 | N1072-N1074 PolarHBondContact O-N 3.09Å; N1072-N1074 WeakPolarHBondContact OD1-CB 3.38Å; N1072-N1074 PolarHBondContact OD1-N 3.14Å; N1074-K1078 WeakPolarHBondContact O-CG 2.99Å; N1074-K1078 PolarHBondContact O-N 3.43Å |
| 1075 | I | 54.9 | Low | 56.7 | Low | 70 Ų | 70 | 95.2 Ų | 95.2 | 36% | 0.359 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -76 | -27.1 | 173.7 | -58.9 | 178 | 0 | 0 | 0 | 111 | Y1069 N1072 P1073 | Y1069-I1075 HydrophobicContact CD2-CD1 4.01Å; Y1069-I1075 HydrophobicContact CE2-CD1 4.3Å; Y1069-I1075 HydrophobicContact CE2-CG2 4.27Å; N1072-I1075 HydrophobicContact CB-CD1 4.16Å; N1072-I1075 HydrophobicContact CB-CG1 4.37Å; P1073-I1075 PolarHBondContact O-N 2.89Å |
| 1076 | N | 45.6 | Very low | 54 | Low | 78 Ų | 78 | 99.3 Ų | 99.3 | 42% | 0.417 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -86.2 | -26.1 | 176.2 | -79.3 | -79.9 | 0 | 0 | 0 | 113.4 | P1073 | P1073-N1076 PolarHBondContact O-N 3.01Å |
| 1077 | L | 39.1 | Very low | 51.3 | Low | 112 Ų | 112 | 105.8 Ų | 105.8 | 59% | 0.586 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -84.8 | -37 | -178.2 | -92.7 | 67 | 0 | 0 | 0 | 113.7 | P1073 N1079 H1080 | P1073-L1077 PolarHBondContact O-N 3Å; L1077-N1079 PolarHBondContact O-N 3.49Å; L1077-H1080 WeakPolarHBondContact O-CB 3.39Å; L1077-H1080 PolarHBondContact O-N 2.84Å |
| 1078 | K | 37.1 | Very low | 48.4 | Very low | 165 Ų | 165 | 109.7 Ų | 109.7 | 72% | 0.717 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -3.2 | -171.3 | -77.5 | -166.3 | 170.7 | -163.2 | 0 | 116.5 | N1074 | N1074-K1078 WeakPolarHBondContact O-CG 2.99Å; N1074-K1078 PolarHBondContact O-N 3.43Å |
| 1079 | N | 39.3 | Very low | 45.9 | Very low | 127 Ų | 127 | 114 Ų | 114 | 68% | 0.679 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | 13.9 | 173.7 | -64.2 | -5.1 | 0 | 0 | 0 | 112.2 | L1077 | L1077-N1079 PolarHBondContact O-N 3.49Š|
| 1080 | H | 37.7 | Very low | 43.3 | Very low | 131 Ų | 131 | 115.8 Ų | 115.8 | 61% | 0.606 | 62% | 0.624 | S | S | * | * | trans | -116.8 | 0.2 | -165.9 | -137.5 | -57.1 | 0 | 0 | 0 | 115.3 | L1077 | L1077-H1080 WeakPolarHBondContact O-CB 3.39Å; L1077-H1080 PolarHBondContact O-N 2.84Å | ||
| 1081 | E | 35 | Very low | 40.9 | Very low | 164 Ų | 164 | 121.7 Ų | 121.7 | 77% | 0.766 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -15.2 | -176.3 | -68.9 | -177.1 | 96.8 | 0 | 0 | 114.6 | ||
| 1082 | E | 34.6 | Very low | 38.6 | Very low | 200 Ų | 200 | 122.4 Ų | 122.4 | 94% | 0.935 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 1.9 | 178.8 | -69.3 | -168.4 | 125.5 | 0 | 0 | 114.8 | ||
| 1083 | L | 37.5 | Very low | 36.7 | Very low | 149 Ų | 149 | 125 Ų | 125 | 78% | 0.78 | 68% | 0.683 | S | S | * | * | trans | -120.4 | 51.1 | -178.3 | -85.7 | 165.7 | 0 | 0 | 0 | 113.4 | G1085 | L1083-G1085 PolarHBondContact O-N 2.93Å; L1083-G1085 VanDerWaalsContact O-N 3.1Å | ||
| 1084 | N | 30.2 | Very low | 35.5 | Very low | 167 Ų | 167 | 128.3 Ų | 128.3 | 89% | 0.893 | 70% | 0.696 | S | S | * | * | trans | -74.2 | 92.6 | 166.9 | -100.3 | -40.1 | 0 | 0 | 0 | 110.4 | ||||
| 1085 | G | 30.2 | Very low | 34.9 | Very low | 61 Ų | 61 | 127 Ų | 127 | 63% | 0.629 | 69% | 0.693 | S | S | * | * | trans | -144.7 | 27.4 | -164.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | L1083 | L1083-G1085 PolarHBondContact O-N 2.93Å; L1083-G1085 VanDerWaalsContact O-N 3.1Å | ||
| 1086 | H | 32.1 | Very low | 34.7 | Very low | 173 Ų | 173 | 127.7 Ų | 127.7 | 80% | 0.801 | 69% | 0.691 | S | S | * | * | trans | 66 | 143.5 | 167.8 | -68.4 | -84.8 | 0 | 0 | 0 | 120.6 | ||||
| 1087 | N | 30.4 | Very low | 34.6 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 73% | 0.733 | 69% | 0.687 | S | S | * | * | trans | 78.2 | 95.7 | 153.4 | -58.3 | -14.4 | 0 | 0 | 0 | 120.9 | ||||
| 1088 | S | 26.5 | Very low | 34.7 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 76% | 0.762 | 69% | 0.692 | S | S | * | * | 56.8 | 81.3 | 129.8 | 65.7 | 0 | 0 | 0 | 0 | 120 | |||||
| 1089 | L | 33 | Very low | 35 | Very low | 149 Ų | 149 | 122.7 Ų | 122.7 | 78% | 0.78 | 67% | 0.671 | S | S | * | * | trans | -139.2 | 100.3 | 145 | -98.1 | 114.6 | 0 | 0 | 0 | 111.5 | ||||
| 1090 | S | 27.7 | Very low | 35.3 | Very low | 97 Ų | 97 | 118.5 Ų | 118.5 | 68% | 0.678 | 65% | 0.647 | S | S | * | * | trans | -81.8 | 152 | 160.7 | 50 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1091 | N | 27.8 | Very low | 35.1 | Very low | 154 Ų | 154 | 116.2 Ų | 116.2 | 82% | 0.824 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 73.7 | 32.1 | 164.4 | -53 | -11.8 | 0 | 0 | 0 | 118.3 | ||
| 1092 | T | 33.7 | Very low | 35 | Very low | 99 Ų | 99 | 114.2 Ų | 114.2 | 61% | 0.607 | 64% | 0.644 | S | S | * | * | trans | -117.6 | 121.8 | 161.4 | 39 | 0 | 0 | 0 | 0 | 111.7 | L1094 | T1092-L1094 PolarHBondContact O-N 3.3Š| ||
| 1093 | S | 34.2 | Very low | 34.8 | Very low | 115 Ų | 115 | 107.2 Ų | 107.2 | 80% | 0.804 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 117.4 | 172.8 | 54.9 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1094 | L | 30.3 | Very low | 34.5 | Very low | 143 Ų | 143 | 106.9 Ų | 106.9 | 75% | 0.749 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 128.2 | 179.8 | -69 | 171.8 | 0 | 0 | 0 | 110.8 | T1092 Y1096 | T1092-L1094 PolarHBondContact O-N 3.3Å; L1094-Y1096 PolarHBondContact O-N 3.19Å |
| 1095 | P | 37.1 | Very low | 34.6 | Very low | 68 Ų | 68 | 104.8 Ų | 104.8 | 44% | 0.442 | 63% | 0.634 | S | S | . | * | P | Polyproline II helix | trans | -69.6 | 117 | 179.8 | 27 | -33 | 0 | 0 | 0 | 109.8 | S1097 K1098 | P1095-S1097 PolarHBondContact O-N 3.11Å; P1095-K1098 PolarHBondContact O-N 3.24Å |
| 1096 | Y | 49.5 | Very low | 34.7 | Very low | 83 Ų | 83 | 104.3 Ų | 104.3 | 33% | 0.325 | 63% | 0.629 | S | S | . | * | G | 310 helix | trans | -56.2 | -23.6 | -176.9 | -93.3 | -97.3 | 0 | 0 | 0 | 113.8 | Y1070 L1094 K1098 V1099 P1245 | Y1070-Y1096 HydrophobicContact CD1-CD1 4.08Å; Y1070-Y1096 AromaticContact CD1-CE1 3.75Å; Y1070-Y1096 HydrophobicContact CD1-CE1 3.75Å; Y1070-Y1096 HydrophobicContact CE1-CD1 4.04Å; Y1070-Y1096 HydrophobicContact CE1-CE1 4.19Å; L1094-Y1096 PolarHBondContact O-N 3.19Å; Y1096-K1098 PolarHBondContact O-N 3.19Å; Y1096-V1099 WeakPolarHBondContact O-CB 3.44Å; Y1096-V1099 PolarHBondContact O-N 2.89Å; Y1096-P1245 HydrophobicContact CD2-CG 3.89Å; Y1096-P1245 HydrophobicContact CE2-CG 3.94Å |
| 1097 | S | 43.2 | Very low | 35.5 | Very low | 47 Ų | 47 | 104 Ų | 104 | 33% | 0.329 | 63% | 0.626 | S | S | . | * | G | 310 helix | trans | -59.6 | -27.4 | 172.9 | 58.6 | 0 | 0 | 0 | 0 | 114 | P1095 V1099 E1100 N1247 | P1095-S1097 PolarHBondContact O-N 3.11Å; S1097-V1099 VanDerWaalsContact C-N 3.31Å; S1097-V1099 PolarHBondContact O-N 3.29Å; S1097-E1100 WeakPolarHBondContact O-CB 3.41Å; S1097-E1100 PolarHBondContact O-N 3.12Å; S1097-N1247 WeakPolarHBondContact CB-O 3.45Å |
| 1098 | K | 40.7 | Very low | 36.9 | Very low | 158 Ų | 158 | 99 Ų | 99 | 69% | 0.687 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -76.9 | -18.8 | -179.7 | -137 | 176.4 | -174.7 | -176 | 0 | 113 | P1095 Y1096 E1100 A1101 | P1095-K1098 PolarHBondContact O-N 3.24Å; Y1096-K1098 PolarHBondContact O-N 3.19Å; K1098-E1100 PolarHBondContact O-N 2.71Å; K1098-A1101 PolarHBondContact O-N 3.44Å |
| 1099 | V | 44.1 | Very low | 38.4 | Very low | 46 Ų | 46 | 94.2 Ų | 94.2 | 28% | 0.279 | 56% | 0.564 | S | S | . | * | G | 310 helix | trans | -71.8 | -20.4 | 169.8 | -173 | 0 | 0 | 0 | 0 | 111 | Y1096 S1097 A1101 | Y1096-V1099 WeakPolarHBondContact O-CB 3.44Å; Y1096-V1099 PolarHBondContact O-N 2.89Å; S1097-V1099 VanDerWaalsContact C-N 3.31Å; S1097-V1099 PolarHBondContact O-N 3.29Å; V1099-A1101 VanDerWaalsContact C-N 3.28Å; V1099-A1101 PolarHBondContact O-N 3.42Å |
| 1100 | E | 45.3 | Very low | 39.9 | Very low | 39 Ų | 39 | 87.3 Ų | 87.3 | 18% | 0.182 | 53% | 0.528 | C | S | . | . | G | 310 helix | trans | -75.3 | -14.2 | 174.2 | -56.9 | -166.9 | 72.8 | 0 | 0 | 114.2 | S1097 K1098 L1248 K1256 | S1097-E1100 WeakPolarHBondContact O-CB 3.41Å; S1097-E1100 PolarHBondContact O-N 3.12Å; K1098-E1100 PolarHBondContact O-N 2.71Å; E1100-L1248 VanDerWaalsContact OE2-CD2 3.32Å; E1100-L1248 WeakPolarHBondContact OE2-CD2 3.33Å; E1100-K1256 IonicContact OE1-NZ 2.81Å; E1100-K1256 PolarHBondContact OE1-NZ 3.16Å |
| 1101 | A | 33.7 | Very low | 41.8 | Very low | 82 Ų | 82 | 84.6 Ų | 84.6 | 68% | 0.678 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -86.8 | -10.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | K1098 V1099 | K1098-A1101 PolarHBondContact O-N 3.44Å; V1099-A1101 VanDerWaalsContact C-N 3.28Å; V1099-A1101 PolarHBondContact O-N 3.42Å |
| 1102 | I | 33.8 | Very low | 44.3 | Very low | 123 Ų | 123 | 79 Ų | 79 | 63% | 0.631 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -105.1 | 120.6 | -174.9 | -55.7 | 178 | 0 | 0 | 0 | 110.6 | ||
| 1103 | G | 29.3 | Very low | 46.8 | Very low | 52 Ų | 52 | 74.4 Ų | 74.4 | 54% | 0.536 | 45% | 0.452 | S | S | . | . | trans | 84.7 | 100.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | S1105 G1106 | G1103-S1105 PolarHBondContact O-N 2.95Å; G1103-G1106 PolarHBondContact O-N 2.98Å | ||
| 1104 | S | 31.3 | Very low | 49.3 | Very low | 143 Ų | 143 | 69.1 Ų | 69.1 | 100% | 1 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 28.9 | 170 | 44.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1105 | S | 31.7 | Very low | 52.1 | Low | 123 Ų | 123 | 63 Ų | 63 | 86% | 0.86 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.1 | -11.7 | -176.2 | -161.2 | 0 | 0 | 0 | 0 | 113.1 | G1103 | G1103-S1105 PolarHBondContact O-N 2.95Š|
| 1106 | G | 33.1 | Very low | 54.7 | Low | 51 Ų | 51 | 60.7 Ų | 60.7 | 53% | 0.526 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -88.3 | 135.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G1103 Q1108 | G1103-G1106 PolarHBondContact O-N 2.98Å; G1106-Q1108 PolarHBondContact O-N 3.28Å; G1106-Q1108 VanDerWaalsContact O-N 3.09Å |
| 1107 | K | 49.2 | Very low | 56.7 | Low | 167 Ų | 167 | 56.7 Ų | 56.7 | 73% | 0.726 | 35% | 0.353 | S | S | * | . | trans | -63.6 | 108.5 | 172.8 | -65.2 | -179.6 | -179.5 | -178.1 | 0 | 110.1 | P1109 | K1107-P1109 VanDerWaalsContact O-CD 3.3Å; K1107-P1109 WeakPolarHBondContact O-CD 3.33Å | ||
| 1108 | Q | 59.2 | Low | 58.9 | Low | 31 Ų | 31 | 54.7 Ų | 54.7 | 15% | 0.145 | 34% | 0.339 | C | S | . | . | trans | -70.7 | 112.4 | 168 | -72.3 | -61.4 | -24.5 | 0 | 0 | 109.1 | G1106 L1110 L1111 | G1106-Q1108 PolarHBondContact O-N 3.28Å; G1106-Q1108 VanDerWaalsContact O-N 3.09Å; Q1108-L1110 PolarHBondContact O-N 3.32Å; Q1108-L1111 HydrophobicContact CB-CD1 3.67Å; Q1108-L1111 HydrophobicContact CB-CG 4.5Å; Q1108-L1111 WeakPolarHBondContact O-CB 3.28Å; Q1108-L1111 PolarHBondContact O-N 3.24Å; Q1108-L1111 VanDerWaalsContact O-N 3.15Å | ||
| 1109 | P | 59.1 | Low | 61.2 | Low | 8 Ų | 8 | 52 Ų | 52 | 5% | 0.052 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -33.4 | -161.9 | -14.3 | 26 | 0 | 0 | 0 | 113.3 | T1066 Y1069 K1107 L1111 A1112 | T1066-P1109 HydrophobicContact CG2-CB 4.06Å; T1066-P1109 WeakPolarHBondContact OG1-CB 3.39Å; T1066-P1109 PolarHBondContact OG1-O 3.08Å; Y1069-P1109 HydrophobicContact CD1-CG 3.38Å; Y1069-P1109 HydrophobicContact CD2-CG 3.73Å; Y1069-P1109 HydrophobicContact CE1-CG 3.89Å; Y1069-P1109 HydrophobicContact CE2-CG 4.21Å; Y1069-P1109 HydrophobicContact CG-CB 4.42Å; Y1069-P1109 HydrophobicContact CG-CG 3.27Å; K1107-P1109 VanDerWaalsContact O-CD 3.3Å; K1107-P1109 WeakPolarHBondContact O-CD 3.33Å; P1109-L1111 PolarHBondContact O-N 3.03Å; P1109-A1112 WeakPolarHBondContact O-CA 3.33Å; P1109-A1112 WeakPolarHBondContact O-CB 3.41Å; P1109-A1112 PolarHBondContact O-N 3.3Å |
| 1110 | L | 64.2 | Low | 63.5 | Low | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.6 | -27.1 | 177.4 | -65.2 | 162.7 | 0 | 0 | 0 | 112.4 | T1066 Y1070 Q1108 A1112 V1113 L1191 F1246 L1248 | T1066-L1110 HydrophobicContact CG2-CD2 3.66Å; T1066-L1110 HydrophobicContact CG2-CG 4.15Å; Y1070-L1110 HydrophobicContact CE2-CD1 4.09Å; Y1070-L1110 HydrophobicContact CE2-CD2 4.35Å; Y1070-L1110 HydrophobicContact CE2-CG 4.01Å; Y1070-L1110 WeakPolarHBondContact OH-CD1 3.45Å; Q1108-L1110 PolarHBondContact O-N 3.32Å; L1110-A1112 PolarHBondContact O-N 3.37Å; L1110-V1113 PolarHBondContact O-N 3.24Å; L1110-L1191 HydrophobicContact CD2-CD1 4.32Å; L1110-F1246 HydrophobicContact CD1-CD1 3.48Å; L1110-F1246 VanDerWaalsContact CD1-CD1 3.48Å; L1110-F1246 HydrophobicContact CD1-CE1 3.6Å; L1110-F1246 HydrophobicContact CD1-CG 4.31Å; L1110-F1246 HydrophobicContact CD1-CZ 4.48Å; L1110-F1246 HydrophobicContact CD2-CD1 4.1Å; L1110-F1246 HydrophobicContact CD2-CE1 3.5Å; L1110-F1246 HydrophobicContact CD2-CE2 4.28Å; L1110-F1246 HydrophobicContact CD2-CZ 3.59Å; L1110-F1246 HydrophobicContact CG-CD1 4.42Å; L1110-F1246 HydrophobicContact CG-CE1 4.09Å; L1110-L1248 HydrophobicContact CD1-CD1 4.29Å; L1110-L1248 HydrophobicContact CD1-CD2 3.83Å; L1110-L1248 HydrophobicContact CD1-CG 4.41Å |
| 1111 | L | 68.3 | Low | 65.7 | Low | 40 Ų | 40 | 48.1 Ų | 48.1 | 21% | 0.209 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72.6 | -14.7 | 170.8 | -76.4 | 70 | 0 | 0 | 0 | 113.1 | Q1108 P1109 P1115 E1253 K1256 | Q1108-L1111 HydrophobicContact CB-CD1 3.67Å; Q1108-L1111 HydrophobicContact CB-CG 4.5Å; Q1108-L1111 WeakPolarHBondContact O-CB 3.28Å; Q1108-L1111 PolarHBondContact O-N 3.24Å; Q1108-L1111 VanDerWaalsContact O-N 3.15Å; P1109-L1111 PolarHBondContact O-N 3.03Å; L1111-P1115 WeakPolarHBondContact O-CD 3.45Å; L1111-P1115 WeakPolarHBondContact O-CG 3.15Å; L1111-E1253 VanDerWaalsContact CD1-CD 3.44Å; L1111-E1253 VanDerWaalsContact CD1-OE1 3.22Å; L1111-E1253 WeakPolarHBondContact CD1-OE1 3.4Å; L1111-E1253 VanDerWaalsContact CD1-OE2 3.24Å; L1111-E1253 WeakPolarHBondContact CD1-OE2 3.33Å; L1111-E1253 WeakPolarHBondContact CD2-OE1 3.44Å; L1111-E1253 WeakPolarHBondContact CG-OE1 3.34Å; L1111-K1256 HydrophobicContact CD1-CD 4.4Å; L1111-K1256 HydrophobicContact CD2-CB 4.08Å; L1111-K1256 HydrophobicContact CD2-CD 3.81Å |
| 1112 | A | 78.7 | Confident | 68.3 | Low | 37 Ų | 37 | 46.1 Ų | 46.1 | 31% | 0.306 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -79 | -29.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1062 P1109 L1110 P1116 | A1062-A1112 HydrophobicContact CB-CB 4.34Å; A1062-A1112 WeakPolarHBondContact CB-O 3.31Å; P1109-A1112 WeakPolarHBondContact O-CA 3.33Å; P1109-A1112 WeakPolarHBondContact O-CB 3.41Å; P1109-A1112 PolarHBondContact O-N 3.3Å; L1110-A1112 PolarHBondContact O-N 3.37Å; A1112-P1116 WeakPolarHBondContact O-CD 3.25Å; A1112-P1116 WeakPolarHBondContact O-CG 3.27Å |
| 1113 | V | 86 | Confident | 70.9 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.012 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -75.1 | -37.4 | 179.1 | -174.5 | 0 | 0 | 0 | 0 | 112 | A1062 V1063 T1066 L1110 P1116 L1117 L1238 L1241 | A1062-V1113 HydrophobicContact CB-CG2 4.25Å; V1063-V1113 HydrophobicContact CG2-CG1 3.91Å; V1063-V1113 HydrophobicContact CG2-CG2 4.16Å; T1066-V1113 WeakPolarHBondContact OG1-CG2 3.4Å; L1110-V1113 PolarHBondContact O-N 3.24Å; V1113-P1116 VanDerWaalsContact O-CD 3.3Å; V1113-P1116 WeakPolarHBondContact O-CD 3.25Å; V1113-P1116 WeakPolarHBondContact O-CG 3.32Å; V1113-L1117 VanDerWaalsContact O-CB 3.27Å; V1113-L1117 WeakPolarHBondContact O-CB 3.4Å; V1113-L1117 PolarHBondContact O-N 2.98Å; V1113-L1238 HydrophobicContact CG1-CD2 4.49Å; V1113-L1241 HydrophobicContact CG1-CD1 4.26Å |
| 1114 | I | 88.4 | Confident | 73.5 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.1 | -43.8 | -173.6 | -59.1 | 167.9 | 0 | 0 | 0 | 112.9 | T1118 K1184 I1187 F1258 | I1114-T1118 VanDerWaalsContact O-CB 3.28Å; I1114-T1118 WeakPolarHBondContact O-CB 3.43Å; I1114-T1118 PolarHBondContact O-N 2.84Å; I1114-T1118 PolarHBondContact O-OG1 3.36Å; I1114-K1184 HydrophobicContact CD1-CG 4.13Å; I1114-K1184 HydrophobicContact CG2-CG 4.22Å; I1114-I1187 HydrophobicContact CG1-CG2 3.96Å; I1114-F1258 HydrophobicContact CG2-CE2 4.34Å |
| 1115 | P | 88.7 | Confident | 76.2 | Confident | 15 Ų | 15 | 34.6 Ų | 34.6 | 10% | 0.097 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.5 | -55.6 | 178 | -25.5 | 35.1 | 0 | 0 | 0 | 115.6 | L1111 L1117 T1118 I1119 F1258 | L1111-P1115 WeakPolarHBondContact O-CD 3.45Å; L1111-P1115 WeakPolarHBondContact O-CG 3.15Å; P1115-L1117 VanDerWaalsContact C-N 3.32Å; P1115-L1117 PolarHBondContact O-N 2.82Å; P1115-T1118 WeakPolarHBondContact O-CB 3.41Å; P1115-T1118 PolarHBondContact O-N 2.79Å; P1115-I1119 WeakPolarHBondContact O-CG1 3.4Å; P1115-I1119 PolarHBondContact O-N 2.7Å; P1115-F1258 HydrophobicContact CB-CE1 3.9Å; P1115-F1258 HydrophobicContact CB-CZ 4.06Å; P1115-F1258 HydrophobicContact CG-CE1 4.05Å; P1115-F1258 HydrophobicContact CG-CZ 4.1Å |
| 1116 | P | 91.3 | Very high | 78.7 | Confident | 19 Ų | 19 | 31.2 Ų | 31.2 | 12% | 0.123 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.7 | -36.7 | 179.3 | 28.2 | -35.5 | 0 | 0 | 0 | 111.6 | D1058 V1059 A1062 A1112 V1113 T1118 I1119 L1120 | D1058-P1116 HydrophobicContact CB-CB 4.05Å; V1059-P1116 HydrophobicContact CG2-CB 3.77Å; V1059-P1116 HydrophobicContact CG2-CG 4.23Å; A1062-P1116 HydrophobicContact CB-CG 4Å; A1112-P1116 WeakPolarHBondContact O-CD 3.25Å; A1112-P1116 WeakPolarHBondContact O-CG 3.27Å; V1113-P1116 VanDerWaalsContact O-CD 3.3Å; V1113-P1116 WeakPolarHBondContact O-CD 3.25Å; V1113-P1116 WeakPolarHBondContact O-CG 3.32Å; P1116-T1118 VanDerWaalsContact C-N 3.34Å; P1116-T1118 PolarHBondContact O-N 2.82Å; P1116-I1119 PolarHBondContact O-N 2.76Å; P1116-L1120 WeakPolarHBondContact O-CB 3.27Å; P1116-L1120 PolarHBondContact O-N 3.47Å |
| 1117 | L | 90.9 | Very high | 80.6 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.6 | -38.3 | 175 | -175 | 63.3 | 0 | 0 | 0 | 111.8 | V1059 V1113 P1115 L1121 I1187 L1196 L1200 | V1059-L1117 HydrophobicContact CG2-CB 4.46Å; V1113-L1117 VanDerWaalsContact O-CB 3.27Å; V1113-L1117 WeakPolarHBondContact O-CB 3.4Å; V1113-L1117 PolarHBondContact O-N 2.98Å; P1115-L1117 VanDerWaalsContact C-N 3.32Å; P1115-L1117 PolarHBondContact O-N 2.82Å; L1117-L1121 HydrophobicContact CD1-CD1 4.02Å; L1117-L1121 HydrophobicContact CG-CD1 3.96Å; L1117-L1121 WeakPolarHBondContact O-CB 3.17Å; L1117-L1121 WeakPolarHBondContact O-CG 3.17Å; L1117-L1121 PolarHBondContact O-N 2.99Å; L1117-I1187 HydrophobicContact CD2-CD1 4.3Å; L1117-I1187 HydrophobicContact CD2-CG2 4.37Å; L1117-L1196 HydrophobicContact CD2-CD1 4.31Å; L1117-L1196 HydrophobicContact CD2-CD2 4.16Å; L1117-L1200 HydrophobicContact CD1-CD1 4.33Å |
| 1118 | T | 89.7 | Confident | 81.4 | Confident | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.2 | -40 | 173.8 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | I1114 P1115 P1116 C1122 L1141 F1183 F1258 | I1114-T1118 VanDerWaalsContact O-CB 3.28Å; I1114-T1118 WeakPolarHBondContact O-CB 3.43Å; I1114-T1118 PolarHBondContact O-N 2.84Å; I1114-T1118 PolarHBondContact O-OG1 3.36Å; P1115-T1118 WeakPolarHBondContact O-CB 3.41Å; P1115-T1118 PolarHBondContact O-N 2.79Å; P1116-T1118 VanDerWaalsContact C-N 3.34Å; P1116-T1118 PolarHBondContact O-N 2.82Å; T1118-C1122 WeakPolarHBondContact O-CB 3.36Å; T1118-C1122 PolarHBondContact O-N 2.92Å; T1118-C1122 PolarHBondContact O-SG 2.56Å; T1118-L1141 HydrophobicContact CG2-CD2 4.27Å; T1118-F1183 HydrophobicContact CG2-CD1 4.12Å; T1118-F1183 HydrophobicContact CG2-CE1 4.13Å; T1118-F1183 WeakPolarHBondContact OG1-CE1 3.29Å; T1118-F1258 HydrophobicContact CG2-CZ 4.31Å |
| 1119 | I | 90.3 | Very high | 81.5 | Confident | 101 Ų | 101 | 30 Ų | 30 | 52% | 0.518 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.7 | -48.8 | 177.8 | -69.8 | 164.1 | 0 | 0 | 0 | 110 | M1055 P1115 P1116 L1121 C1122 D1123 | M1055-I1119 HydrophobicContact SD-CG2 4.26Å; P1115-I1119 WeakPolarHBondContact O-CG1 3.4Å; P1115-I1119 PolarHBondContact O-N 2.7Å; P1116-I1119 PolarHBondContact O-N 2.76Å; I1119-L1121 PolarHBondContact O-N 3.45Å; I1119-C1122 PolarHBondContact O-N 2.92Å; I1119-C1122 VanDerWaalsContact O-N 3.12Å; I1119-D1123 PolarHBondContact O-N 3.38Å |
| 1120 | L | 91.5 | Very high | 81.3 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.9 | -44 | 178.5 | -172.6 | 65.9 | 0 | 0 | 0 | 112.1 | M1055 V1056 V1059 P1116 C1122 D1123 F1219 L1234 | M1055-L1120 HydrophobicContact CB-CD1 3.93Å; M1055-L1120 HydrophobicContact CE-CD1 4.4Å; V1056-L1120 HydrophobicContact CG2-CD1 4.12Å; V1056-L1120 HydrophobicContact CG2-CD2 4.11Å; V1059-L1120 HydrophobicContact CG2-CD2 4.11Å; P1116-L1120 WeakPolarHBondContact O-CB 3.27Å; P1116-L1120 PolarHBondContact O-N 3.47Å; L1120-C1122 VanDerWaalsContact C-N 3.34Å; L1120-C1122 PolarHBondContact O-N 2.92Å; L1120-D1123 PolarHBondContact O-N 2.92Å; L1120-F1219 HydrophobicContact CD1-CB 4.31Å; L1120-F1219 HydrophobicContact CD1-CD1 3.58Å; L1120-F1219 HydrophobicContact CD1-CD2 4.29Å; L1120-F1219 HydrophobicContact CD1-CE1 3.93Å; L1120-F1219 HydrophobicContact CD1-CG 3.78Å; L1120-F1219 HydrophobicContact CD1-CZ 4.42Å; L1120-F1219 HydrophobicContact CD2-CD1 4.08Å; L1120-F1219 HydrophobicContact CD2-CE1 3.78Å; L1120-F1219 HydrophobicContact CD2-CZ 4.46Å; L1120-F1219 HydrophobicContact CG-CD1 3.71Å; L1120-F1219 HydrophobicContact CG-CE1 3.96Å; L1120-F1219 HydrophobicContact CG-CG 4.4Å; L1120-L1234 HydrophobicContact CD2-CD1 4.3Å; L1120-L1234 HydrophobicContact CD2-CD2 3.8Å |
| 1121 | L | 90.6 | Very high | 80.7 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -76.2 | -16 | 177.4 | -73.4 | 163.5 | 0 | 0 | 0 | 114 | L1117 I1119 L1141 F1183 W1199 L1203 Y1214 I1220 | L1117-L1121 HydrophobicContact CD1-CD1 4.02Å; L1117-L1121 HydrophobicContact CG-CD1 3.96Å; L1117-L1121 WeakPolarHBondContact O-CB 3.17Å; L1117-L1121 WeakPolarHBondContact O-CG 3.17Å; L1117-L1121 PolarHBondContact O-N 2.99Å; I1119-L1121 PolarHBondContact O-N 3.45Å; L1121-L1141 HydrophobicContact CB-CD1 4.39Å; L1121-F1183 HydrophobicContact CD1-CE2 4.45Å; L1121-F1183 HydrophobicContact CD1-CZ 3.73Å; L1121-W1199 HydrophobicContact CD1-CH2 4Å; L1121-W1199 HydrophobicContact CD1-CZ3 3.87Å; L1121-W1199 HydrophobicContact CD2-CH2 4.48Å; L1121-L1203 HydrophobicContact CD2-CD2 4.07Å; L1121-Y1214 WeakPolarHBondContact O-CE1 3.31Å; L1121-Y1214 PolarHBondContact O-OH 2.77Å; L1121-I1220 HydrophobicContact CD2-CD1 3.6Å; L1121-I1220 HydrophobicContact CD2-CG1 4.02Å |
| 1122 | C | 88.8 | Confident | 80 | Confident | 41 Ų | 41 | 45.3 Ų | 45.3 | 28% | 0.277 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -85.5 | -13.1 | 171 | -72.9 | 0 | 0 | 0 | 0 | 113.1 | T1118 I1119 L1120 G1124 L1125 | T1118-C1122 WeakPolarHBondContact O-CB 3.36Å; T1118-C1122 PolarHBondContact O-N 2.92Å; T1118-C1122 PolarHBondContact O-SG 2.56Å; I1119-C1122 PolarHBondContact O-N 2.92Å; I1119-C1122 VanDerWaalsContact O-N 3.12Å; L1120-C1122 VanDerWaalsContact C-N 3.34Å; L1120-C1122 PolarHBondContact O-N 2.92Å; C1122-G1124 PolarHBondContact O-N 2.95Å; C1122-L1125 WeakPolarHBondContact O-CB 3.25Å; C1122-L1125 PolarHBondContact O-N 3.44Å |
| 1123 | D | 87.9 | Confident | 79 | Confident | 20 Ų | 20 | 52.9 Ų | 52.9 | 11% | 0.107 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 131 | -177.2 | -172.3 | 66.3 | 0 | 0 | 0 | 112.2 | R1051 Y1052 M1055 I1119 L1120 L1125 Y1214 | R1051-D1123 IonicContact CZ-OD1 2.65Å; R1051-D1123 IonicContact NH1-OD1 3.52Å; R1051-D1123 PolarHBondContact NH1-OD1 2.83Å; R1051-D1123 IonicContact NH1-OD2 3.07Å; R1051-D1123 IonicContact NH2-OD1 2.68Å; R1051-D1123 PolarHBondContact NH2-OD1 3.2Å; Y1052-D1123 WeakPolarHBondContact CE1-OD2 3.39Å; Y1052-D1123 VanDerWaalsContact CZ-OD2 3.3Å; Y1052-D1123 PolarHBondContact OH-OD2 2.9Å; M1055-D1123 HydrophobicContact CE-CB 4.35Å; I1119-D1123 PolarHBondContact O-N 3.38Å; L1120-D1123 PolarHBondContact O-N 2.92Å; D1123-L1125 PolarHBondContact O-N 3.03Å; D1123-L1125 VanDerWaalsContact O-N 3.08Å; D1123-Y1214 WeakPolarHBondContact O-CD1 3.47Å; D1123-Y1214 WeakPolarHBondContact O-CE1 3.28Å |
| 1124 | G | 84.7 | Confident | 77.4 | Confident | 25 Ų | 25 | 56.1 Ų | 56.1 | 26% | 0.258 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 13.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | C1122 L1126 Y1214 C1215 | C1122-G1124 PolarHBondContact O-N 2.95Å; G1124-L1126 PolarHBondContact O-N 3Å; G1124-Y1214 WeakPolarHBondContact O-CA 3.45Å; G1124-C1215 PolarHBondContact O-N 3.44Å; G1124-C1215 PolarHBondContact O-SG 3.07Å |
| 1125 | L | 87.9 | Confident | 75.5 | Confident | 30 Ų | 30 | 61.5 Ų | 61.5 | 16% | 0.157 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -67.9 | 123.1 | 176.6 | -172.8 | 77.5 | 0 | 0 | 0 | 110.2 | C1122 D1123 R1140 L1141 F1213 Y1214 | C1122-L1125 WeakPolarHBondContact O-CB 3.25Å; C1122-L1125 PolarHBondContact O-N 3.44Å; D1123-L1125 PolarHBondContact O-N 3.03Å; D1123-L1125 VanDerWaalsContact O-N 3.08Å; L1125-R1140 HydrophobicContact CD2-CB 4.29Å; L1125-R1140 HydrophobicContact CG-CB 4.5Å; L1125-L1141 HydrophobicContact CD2-CB 4.11Å; L1125-F1213 HydrophobicContact CD1-CB 4.37Å; L1125-Y1214 HydrophobicContact CB-CD1 4.27Å; L1125-Y1214 HydrophobicContact CB-CE1 3.99Å; L1125-Y1214 HydrophobicContact CD1-CD1 4.19Å; L1125-Y1214 HydrophobicContact CD1-CE1 3.75Å; L1125-Y1214 HydrophobicContact CD1-CE2 4.2Å |
| 1126 | L | 84.9 | Confident | 73.6 | Confident | 53 Ų | 53 | 70.5 Ų | 70.5 | 28% | 0.277 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 139.9 | -178 | -71.1 | 167.8 | 0 | 0 | 0 | 111.5 | G1124 R1140 F1213 C1215 | G1124-L1126 PolarHBondContact O-N 3Å; L1126-R1140 WeakPolarHBondContact O-CD 3.41Å; L1126-F1213 WeakPolarHBondContact CB-O 3.34Å; L1126-F1213 PolarHBondContact N-O 3.26Å; L1126-C1215 VanDerWaalsContact CD2-SG 3.53Å |
| 1127 | P | 73 | Confident | 71.6 | Confident | 91 Ų | 91 | 75.1 Ų | 75.1 | 59% | 0.591 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 156.3 | 177.3 | 26.1 | -34.3 | 0 | 0 | 0 | 111.8 | S1129 | P1127-S1129 PolarHBondContact O-N 3.48Š|
| 1128 | P | 65.9 | Low | 69.8 | Low | 39 Ų | 39 | 81.7 Ų | 81.7 | 25% | 0.253 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 127.4 | 176.1 | 28.3 | -36.5 | 0 | 0 | 0 | 110 | K1130 R1138 R1140 | P1128-K1130 PolarHBondContact O-N 2.87Å; P1128-R1138 VanDerWaalsContact CD-O 3.26Å; P1128-R1138 WeakPolarHBondContact CD-O 3.19Å; P1128-R1138 VanDerWaalsContact CG-O 3.23Å; P1128-R1138 WeakPolarHBondContact CG-O 3.44Å; P1128-R1140 HydrophobicContact CB-CG 4.45Å |
| 1129 | S | 60.4 | Low | 68.6 | Low | 93 Ų | 93 | 83.5 Ų | 83.5 | 65% | 0.65 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -61.9 | 93.5 | -179.8 | 49 | 0 | 0 | 0 | 0 | 111.8 | P1127 R1140 | P1127-S1129 PolarHBondContact O-N 3.48Å; S1129-R1140 PolarHBondContact OG-NH2 2.96Å |
| 1130 | K | 54.9 | Low | 68 | Low | 170 Ų | 170 | 80.6 Ų | 80.6 | 74% | 0.739 | 43% | 0.43 | S | S | * | . | trans | 46.7 | 81 | 174.1 | -65 | -176 | 179.8 | -180 | 0 | 114.5 | P1128 I1132 | P1128-K1130 PolarHBondContact O-N 2.87Å; K1130-I1132 PolarHBondContact O-N 3.5Å | ||
| 1131 | P | 52.6 | Low | 67.7 | Low | 64 Ų | 64 | 80.5 Ų | 80.5 | 42% | 0.416 | 43% | 0.429 | S | S | . | . | trans | -66.8 | 92.1 | 164.1 | 28.7 | -33.6 | 0 | 0 | 0 | 110.5 | F1133 T1134 | P1131-F1133 PolarHBondContact O-N 3.12Å; P1131-T1134 WeakPolarHBondContact CB-OG1 3.44Å | ||
| 1132 | I | 53.8 | Low | 67.6 | Low | 140 Ų | 140 | 81.1 Ų | 81.1 | 72% | 0.718 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -22.8 | -175.7 | -55.5 | 178.1 | 0 | 0 | 0 | 112.4 | K1130 | K1130-I1132 PolarHBondContact O-N 3.5Š|
| 1133 | F | 56.2 | Low | 67.5 | Low | 195 Ų | 195 | 82.9 Ų | 82.9 | 86% | 0.855 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.9 | 5.4 | -171.5 | -62.9 | -70.7 | 0 | 0 | 0 | 116.9 | P1131 | P1131-F1133 PolarHBondContact O-N 3.12Š|
| 1134 | T | 53.8 | Low | 67.5 | Low | 70 Ų | 70 | 82 Ų | 82 | 43% | 0.429 | 43% | 0.431 | S | S | . | . | trans | -127.7 | 122.5 | -177.2 | 65 | 0 | 0 | 0 | 0 | 114.2 | P1131 R1136 | P1131-T1134 WeakPolarHBondContact CB-OG1 3.44Å; T1134-R1136 VanDerWaalsContact C-N 3.33Å; T1134-R1136 PolarHBondContact O-N 3.18Å | ||
| 1135 | S | 48.5 | Very low | 67.8 | Low | 117 Ų | 117 | 80.8 Ų | 80.8 | 82% | 0.818 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -86.8 | 27.5 | -169.6 | 63.6 | 0 | 0 | 0 | 0 | 116 | ||
| 1136 | R | 48.9 | Very low | 67.8 | Low | 205 Ų | 205 | 82.1 Ų | 82.1 | 77% | 0.774 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -136 | 136.2 | 171.8 | -74.8 | -171.7 | 174.5 | -171.2 | -2 | 109.5 | T1134 R1138 | T1134-R1136 VanDerWaalsContact C-N 3.33Å; T1134-R1136 PolarHBondContact O-N 3.18Å; R1136-R1138 PolarHBondContact O-N 3.03Å; R1136-R1138 VanDerWaalsContact O-N 3.09Å |
| 1137 | P | 47.9 | Very low | 67.8 | Low | 115 Ų | 115 | 81 Ų | 81 | 75% | 0.747 | 42% | 0.417 | S | S | * | . | trans | -66 | 110.3 | 172 | 27.9 | -32.5 | 0 | 0 | 0 | 108.9 | ||||
| 1138 | R | 54 | Low | 68.5 | Low | 138 Ų | 138 | 77 Ų | 77 | 52% | 0.521 | 39% | 0.391 | S | S | . | . | trans | -86.4 | 131.7 | 170 | -93.4 | -179 | 162.8 | 154.8 | -3.4 | 109.2 | P1128 R1136 E1179 | P1128-R1138 VanDerWaalsContact CD-O 3.26Å; P1128-R1138 WeakPolarHBondContact CD-O 3.19Å; P1128-R1138 VanDerWaalsContact CG-O 3.23Å; P1128-R1138 WeakPolarHBondContact CG-O 3.44Å; R1136-R1138 PolarHBondContact O-N 3.03Å; R1136-R1138 VanDerWaalsContact O-N 3.09Å; R1138-E1179 VanDerWaalsContact CA-OE2 3.31Å; R1138-E1179 WeakPolarHBondContact CA-OE2 3.43Å; R1138-E1179 VanDerWaalsContact CB-OE1 3.27Å; R1138-E1179 WeakPolarHBondContact CB-OE1 3.47Å; R1138-E1179 VanDerWaalsContact CB-OE2 3.27Å; R1138-E1179 WeakPolarHBondContact CB-OE2 3.39Å; R1138-E1179 WeakPolarHBondContact CD-OE1 3.43Å; R1138-E1179 VanDerWaalsContact CG-OE1 3.25Å; R1138-E1179 WeakPolarHBondContact CG-OE1 3.32Å; R1138-E1179 WeakPolarHBondContact CG-OE2 3.32Å; R1138-E1179 IonicContact NE-OE1 3.85Å | ||
| 1139 | T | 63.9 | Low | 69.4 | Low | 44 Ų | 44 | 75.3 Ų | 75.3 | 27% | 0.27 | 38% | 0.381 | S | S | . | . | trans | -80 | 125.4 | -178.5 | 45.5 | 0 | 0 | 0 | 0 | 109.2 | L1141 E1179 | T1139-L1141 PolarHBondContact O-N 3.24Å; T1139-E1179 PolarHBondContact N-OE2 3.12Å; T1139-E1179 PolarHBondContact OG1-OE2 3.46Å | ||
| 1140 | R | 77.4 | Confident | 70.3 | Confident | 40 Ų | 40 | 77.6 Ų | 77.6 | 15% | 0.151 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -2.6 | 175.9 | -86.3 | 178.2 | 160.3 | -175.5 | -1.8 | 114.7 | L1125 L1126 P1128 S1129 W1142 Q1143 L1144 R1212 F1213 | L1125-R1140 HydrophobicContact CD2-CB 4.29Å; L1125-R1140 HydrophobicContact CG-CB 4.5Å; L1126-R1140 WeakPolarHBondContact O-CD 3.41Å; P1128-R1140 HydrophobicContact CB-CG 4.45Å; S1129-R1140 PolarHBondContact OG-NH2 2.96Å; R1140-W1142 PolarHBondContact O-N 3.12Å; R1140-Q1143 CarbonylContact O-C 3.59Å; R1140-Q1143 WeakPolarHBondContact O-CA 3.41Å; R1140-Q1143 WeakPolarHBondContact O-CB 3.4Å; R1140-Q1143 PolarHBondContact O-N 3.44Å; R1140-L1144 PolarHBondContact O-N 3.43Å; R1140-R1212 PolarHBondContact NH1-O 2.92Å; R1140-F1213 HydrophobicContact CB-CD1 3.93Å; R1140-F1213 HydrophobicContact CB-CE1 4.05Å; R1140-F1213 HydrophobicContact CG-CD1 4.37Å; R1140-F1213 HydrophobicContact CG-CE1 4.25Å |
| 1141 | L | 85.6 | Confident | 70.7 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -55.4 | -40.1 | -176.4 | -173 | 67.6 | 0 | 0 | 0 | 114 | T1118 L1121 L1125 T1139 L1144 V1145 F1183 | T1118-L1141 HydrophobicContact CG2-CD2 4.27Å; L1121-L1141 HydrophobicContact CB-CD1 4.39Å; L1125-L1141 HydrophobicContact CD2-CB 4.11Å; T1139-L1141 PolarHBondContact O-N 3.24Å; L1141-L1144 HydrophobicContact CD1-CD2 4.28Å; L1141-L1144 WeakPolarHBondContact O-CB 3.43Å; L1141-L1144 PolarHBondContact O-N 3.38Å; L1141-V1145 PolarHBondContact O-N 3.05Å; L1141-F1183 HydrophobicContact CD1-CD2 4.06Å; L1141-F1183 HydrophobicContact CD1-CE2 3.91Å; L1141-F1183 HydrophobicContact CD1-CZ 4.39Å; L1141-F1183 HydrophobicContact CD2-CB 3.96Å; L1141-F1183 HydrophobicContact CD2-CD1 3.7Å; L1141-F1183 HydrophobicContact CD2-CD2 3.67Å; L1141-F1183 HydrophobicContact CD2-CE1 4.11Å; L1141-F1183 HydrophobicContact CD2-CE2 4.1Å; L1141-F1183 HydrophobicContact CD2-CG 3.46Å; L1141-F1183 VanDerWaalsContact CD2-CG 3.46Å; L1141-F1183 HydrophobicContact CD2-CZ 4.3Å; L1141-F1183 HydrophobicContact CG-CB 4.4Å; L1141-F1183 HydrophobicContact CG-CD2 3.59Å; L1141-F1183 HydrophobicContact CG-CE2 3.98Å; L1141-F1183 HydrophobicContact CG-CG 3.91Å |
| 1142 | W | 88.5 | Confident | 71 | Confident | 14 Ų | 14 | 75 Ų | 75 | 5% | 0.053 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -70.4 | -38.7 | 175.1 | -174.8 | -105.2 | 0 | 0 | 0 | 112 | R1140 L1144 V1145 E1146 V1170 E1179 K1182 F1186 | R1140-W1142 PolarHBondContact O-N 3.12Å; W1142-L1144 VanDerWaalsContact C-N 3.32Å; W1142-L1144 PolarHBondContact O-N 2.94Å; W1142-V1145 HydrophobicContact CE3-CB 4.4Å; W1142-V1145 HydrophobicContact CE3-CG1 4.43Å; W1142-V1145 HydrophobicContact CH2-CG1 4.37Å; W1142-V1145 HydrophobicContact CZ3-CB 4.49Å; W1142-V1145 HydrophobicContact CZ3-CG1 4.04Å; W1142-V1145 PolarHBondContact O-N 3.42Å; W1142-E1146 HydrophobicContact CZ2-CG 4.18Å; W1142-E1146 PolarHBondContact NE1-OE1 3.43Å; W1142-E1146 PolarHBondContact NE1-OE2 2.63Å; W1142-E1146 WeakPolarHBondContact O-CG 3.34Å; W1142-E1146 PolarHBondContact O-N 3.02Å; W1142-V1170 HydrophobicContact CH2-CB 4.05Å; W1142-V1170 HydrophobicContact CH2-CG1 3.54Å; W1142-V1170 HydrophobicContact CZ2-CG1 4.17Å; W1142-V1170 HydrophobicContact CZ3-CG1 4.11Å; W1142-E1179 HydrophobicContact CB-CB 4.09Å; W1142-E1179 HydrophobicContact CB-CG 4.1Å; W1142-K1182 HydrophobicContact CD2-CB 3.57Å; W1142-K1182 HydrophobicContact CD2-CD 3.86Å; W1142-K1182 HydrophobicContact CD2-CG 4.37Å; W1142-K1182 HydrophobicContact CE3-CB 3.38Å; W1142-K1182 HydrophobicContact CG-CB 4.25Å; W1142-K1182 HydrophobicContact CG-CD 4.12Å; W1142-K1182 HydrophobicContact CH2-CB 4.12Å; W1142-K1182 HydrophobicContact CZ2-CB 4.28Å; W1142-K1182 HydrophobicContact CZ2-CD 4.13Å; W1142-K1182 HydrophobicContact CZ3-CB 3.67Å; W1142-K1182 WeakPolarHBondContact CZ3-O 3.23Å; W1142-F1186 HydrophobicContact CH2-CB 4.25Å; W1142-F1186 HydrophobicContact CZ3-CB 3.76Å; W1142-F1186 HydrophobicContact CZ3-CG 4.4Å |
| 1143 | Q | 85.9 | Confident | 71.4 | Confident | 78 Ų | 78 | 69 Ų | 69 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.7 | -37 | 175.5 | -167 | -175 | 3.4 | 0 | 0 | 111.3 | R1140 E1146 E1147 F1213 | R1140-Q1143 CarbonylContact O-C 3.59Å; R1140-Q1143 WeakPolarHBondContact O-CA 3.41Å; R1140-Q1143 WeakPolarHBondContact O-CB 3.4Å; R1140-Q1143 PolarHBondContact O-N 3.44Å; Q1143-E1146 PolarHBondContact O-N 3.18Å; Q1143-E1147 HydrophobicContact CG-CG 4.32Å; Q1143-E1147 VanDerWaalsContact O-CG 3.25Å; Q1143-E1147 WeakPolarHBondContact O-CG 3.45Å; Q1143-E1147 PolarHBondContact O-N 3.03Å; Q1143-F1213 HydrophobicContact CB-CE1 4.14Å; Q1143-F1213 HydrophobicContact CB-CZ 4.42Å; Q1143-F1213 HydrophobicContact CG-CE1 4.11Å; Q1143-F1213 HydrophobicContact CG-CZ 3.97Å |
| 1144 | L | 89.3 | Confident | 71.6 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -56.2 | -50.8 | 172.4 | -176.8 | 92.6 | 0 | 0 | 0 | 110.8 | R1140 L1141 W1142 E1147 S1148 L1203 L1209 F1213 Y1214 | R1140-L1144 PolarHBondContact O-N 3.43Å; L1141-L1144 HydrophobicContact CD1-CD2 4.28Å; L1141-L1144 WeakPolarHBondContact O-CB 3.43Å; L1141-L1144 PolarHBondContact O-N 3.38Å; W1142-L1144 VanDerWaalsContact C-N 3.32Å; W1142-L1144 PolarHBondContact O-N 2.94Å; L1144-E1147 PolarHBondContact O-N 3.46Å; L1144-S1148 VanDerWaalsContact O-CB 3.26Å; L1144-S1148 WeakPolarHBondContact O-CB 3.37Å; L1144-S1148 PolarHBondContact O-N 3.08Å; L1144-S1148 PolarHBondContact O-OG 2.89Å; L1144-L1203 HydrophobicContact CD1-CD1 4.25Å; L1144-L1203 HydrophobicContact CD2-CD1 4.14Å; L1144-L1203 HydrophobicContact CD2-CD2 4.14Å; L1144-L1203 HydrophobicContact CG-CD1 4.08Å; L1144-L1209 HydrophobicContact CD1-CD2 3.39Å; L1144-L1209 HydrophobicContact CG-CD2 4.16Å; L1144-F1213 HydrophobicContact CB-CD1 4.32Å; L1144-F1213 HydrophobicContact CD1-CB 3.39Å; L1144-F1213 HydrophobicContact CD1-CD1 4.07Å; L1144-F1213 HydrophobicContact CD1-CD2 3.93Å; L1144-F1213 HydrophobicContact CD1-CG 3.55Å; L1144-Y1214 HydrophobicContact CD1-CD2 4.23Å; L1144-Y1214 HydrophobicContact CD1-CE2 3.58Å; L1144-Y1214 HydrophobicContact CD2-CE2 3.94Å; L1144-Y1214 WeakPolarHBondContact CD2-OH 3.5Å; L1144-Y1214 HydrophobicContact CG-CE2 4.44Å |
| 1145 | V | 90.1 | Very high | 72 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.3 | -50.6 | 175.8 | 169.3 | 0 | 0 | 0 | 0 | 110.7 | L1141 W1142 E1147 S1148 C1149 I1167 F1183 F1186 W1199 | L1141-V1145 PolarHBondContact O-N 3.05Å; W1142-V1145 HydrophobicContact CE3-CB 4.4Å; W1142-V1145 HydrophobicContact CE3-CG1 4.43Å; W1142-V1145 HydrophobicContact CH2-CG1 4.37Å; W1142-V1145 HydrophobicContact CZ3-CB 4.49Å; W1142-V1145 HydrophobicContact CZ3-CG1 4.04Å; W1142-V1145 PolarHBondContact O-N 3.42Å; V1145-E1147 PolarHBondContact O-N 2.95Å; V1145-S1148 WeakPolarHBondContact CA-OG 3.45Å; V1145-S1148 PolarHBondContact O-N 2.79Å; V1145-S1148 VanDerWaalsContact O-N 3.14Å; V1145-S1148 PolarHBondContact O-OG 2.95Å; V1145-C1149 PolarHBondContact O-N 3.41Å; V1145-I1167 HydrophobicContact CG1-CD1 3.76Å; V1145-I1167 HydrophobicContact CG1-CG1 4.12Å; V1145-F1183 HydrophobicContact CG2-CD2 3.85Å; V1145-F1183 HydrophobicContact CG2-CE2 4.05Å; V1145-F1186 HydrophobicContact CG1-CD1 3.76Å; V1145-F1186 HydrophobicContact CG1-CD2 3.88Å; V1145-F1186 HydrophobicContact CG1-CE1 3.74Å; V1145-F1186 HydrophobicContact CG1-CE2 3.87Å; V1145-F1186 HydrophobicContact CG1-CG 3.82Å; V1145-F1186 HydrophobicContact CG1-CZ 3.79Å; V1145-F1186 HydrophobicContact CG2-CD1 3.97Å; V1145-F1186 HydrophobicContact CG2-CE1 4Å; V1145-W1199 HydrophobicContact CG2-CH2 4.37Å; V1145-W1199 HydrophobicContact CG2-CZ2 3.79Å |
| 1146 | E | 88.3 | Confident | 72.8 | Confident | 59 Ų | 59 | 62 Ų | 62 | 28% | 0.276 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.5 | -38 | -179.3 | -73 | -176 | 141.9 | 0 | 0 | 113.8 | W1142 Q1143 R1150 K1171 | W1142-E1146 HydrophobicContact CZ2-CG 4.18Å; W1142-E1146 PolarHBondContact NE1-OE1 3.43Å; W1142-E1146 PolarHBondContact NE1-OE2 2.63Å; W1142-E1146 WeakPolarHBondContact O-CG 3.34Å; W1142-E1146 PolarHBondContact O-N 3.02Å; Q1143-E1146 PolarHBondContact O-N 3.18Å; E1146-R1150 WeakPolarHBondContact O-CG 3.26Å; E1146-K1171 WeakPolarHBondContact OE1-CE 3.25Å; E1146-K1171 IonicContact OE1-NZ 2.66Å; E1146-K1171 PolarHBondContact OE1-NZ 3.18Å; E1146-K1171 VanDerWaalsContact OE1-NZ 3.13Å |
| 1147 | E | 85.8 | Confident | 74.1 | Confident | 28 Ų | 28 | 54.6 Ų | 54.6 | 13% | 0.131 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -75.8 | -31.6 | 174.9 | -57.8 | -73.5 | 100.9 | 0 | 0 | 111.9 | Q1143 L1144 V1145 C1149 R1150 L1209 R1212 F1213 | Q1143-E1147 HydrophobicContact CG-CG 4.32Å; Q1143-E1147 VanDerWaalsContact O-CG 3.25Å; Q1143-E1147 WeakPolarHBondContact O-CG 3.45Å; Q1143-E1147 PolarHBondContact O-N 3.03Å; L1144-E1147 PolarHBondContact O-N 3.46Å; V1145-E1147 PolarHBondContact O-N 2.95Å; E1147-C1149 VanDerWaalsContact C-N 3.3Å; E1147-C1149 PolarHBondContact O-N 3.33Å; E1147-R1150 PolarHBondContact O-N 3.29Å; E1147-R1150 IonicContact OE1-CZ 2.61Å; E1147-R1150 IonicContact OE1-NE 2.71Å; E1147-R1150 PolarHBondContact OE1-NE 3.08Å; E1147-R1150 IonicContact OE1-NH2 3.13Å; E1147-R1150 PolarHBondContact OE1-NH2 3.31Å; E1147-R1150 IonicContact OE2-NE 3.16Å; E1147-L1209 HydrophobicContact CB-CD1 4.06Å; E1147-R1212 IonicContact OE2-CZ 2.71Å; E1147-R1212 IonicContact OE2-NH1 3.57Å; E1147-R1212 PolarHBondContact OE2-NH1 3.27Å; E1147-R1212 IonicContact OE2-NH2 3.44Å; E1147-F1213 HydrophobicContact CB-CE2 4.3Å; E1147-F1213 HydrophobicContact CG-CE2 4.03Å; E1147-F1213 HydrophobicContact CG-CZ 3.91Å |
| 1148 | S | 87.2 | Confident | 75.8 | Confident | 7 Ų | 7 | 54.5 Ų | 54.5 | 5% | 0.049 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.6 | -25.6 | -177.6 | 70 | 0 | 0 | 0 | 0 | 114 | L1144 V1145 A1153 W1199 L1209 | L1144-S1148 VanDerWaalsContact O-CB 3.26Å; L1144-S1148 WeakPolarHBondContact O-CB 3.37Å; L1144-S1148 PolarHBondContact O-N 3.08Å; L1144-S1148 PolarHBondContact O-OG 2.89Å; V1145-S1148 WeakPolarHBondContact CA-OG 3.45Å; V1145-S1148 PolarHBondContact O-N 2.79Å; V1145-S1148 VanDerWaalsContact O-N 3.14Å; V1145-S1148 PolarHBondContact O-OG 2.95Å; S1148-A1153 WeakPolarHBondContact O-CB 3.23Å; S1148-W1199 PolarHBondContact OG-NE1 2.89Å; S1148-L1209 VanDerWaalsContact CA-CD1 3.45Å |
| 1149 | C | 85 | Confident | 77.1 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.034 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 23.3 | 179.7 | -52.6 | 0 | 0 | 0 | 0 | 112.3 | V1145 E1147 Y1160 L1163 I1167 | V1145-C1149 PolarHBondContact O-N 3.41Å; E1147-C1149 VanDerWaalsContact C-N 3.3Å; E1147-C1149 PolarHBondContact O-N 3.33Å; C1149-Y1160 WeakPolarHBondContact O-CE2 3.48Å; C1149-L1163 HydrophobicContact CB-CB 4.28Å; C1149-I1167 HydrophobicContact CB-CD1 3.53Å; C1149-I1167 HydrophobicContact CB-CG1 4.47Å |
| 1150 | R | 79.2 | Confident | 78.1 | Confident | 141 Ų | 141 | 49.2 Ų | 49.2 | 53% | 0.532 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -72.4 | 146.8 | 167.1 | -76.2 | -177.2 | -178.1 | -101.9 | 5.3 | 110.1 | E1146 E1147 G1152 A1153 | E1146-R1150 WeakPolarHBondContact O-CG 3.26Å; E1147-R1150 PolarHBondContact O-N 3.29Å; E1147-R1150 IonicContact OE1-CZ 2.61Å; E1147-R1150 IonicContact OE1-NE 2.71Å; E1147-R1150 PolarHBondContact OE1-NE 3.08Å; E1147-R1150 IonicContact OE1-NH2 3.13Å; E1147-R1150 PolarHBondContact OE1-NH2 3.31Å; E1147-R1150 IonicContact OE2-NE 3.16Å; R1150-G1152 PolarHBondContact O-N 3.32Å; R1150-A1153 VanDerWaalsContact O-CB 3.29Å; R1150-A1153 WeakPolarHBondContact O-CB 3.32Å; R1150-A1153 PolarHBondContact O-N 3.06Å |
| 1151 | P | 62 | Low | 78.5 | Confident | 93 Ų | 93 | 53.3 Ų | 53.3 | 60% | 0.604 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 131.6 | 165.4 | 28.1 | -31.9 | 0 | 0 | 0 | 108.7 | Y1160 | P1151-Y1160 HydrophobicContact CB-CD2 4.46Å; P1151-Y1160 HydrophobicContact CB-CE1 4.29Å; P1151-Y1160 HydrophobicContact CB-CE2 3.92Å; P1151-Y1160 HydrophobicContact CG-CE2 4.25Å |
| 1152 | G | 60.7 | Low | 78.7 | Confident | 87 Ų | 87 | 55.3 Ų | 55.3 | 90% | 0.897 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.7 | -4.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115 | R1150 | R1150-G1152 PolarHBondContact O-N 3.32Š|
| 1153 | A | 60.7 | Low | 78.9 | Confident | 13 Ų | 13 | 54.7 Ų | 54.7 | 11% | 0.107 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -74.5 | 170.5 | 147.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | S1148 R1150 P1155 | S1148-A1153 WeakPolarHBondContact O-CB 3.23Å; R1150-A1153 VanDerWaalsContact O-CB 3.29Å; R1150-A1153 WeakPolarHBondContact O-CB 3.32Å; R1150-A1153 PolarHBondContact O-N 3.06Å; A1153-P1155 WeakPolarHBondContact O-CD 3.47Å |
| 1154 | L | 60.3 | Low | 79.1 | Confident | 100 Ų | 100 | 53.8 Ų | 53.8 | 52% | 0.524 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -60.7 | -26.4 | -167 | -143.6 | 75.7 | 0 | 0 | 0 | 118.5 | T1156 A1205 | L1154-T1156 PolarHBondContact O-N 3.29Å; L1154-A1205 HydrophobicContact CD2-CB 3.32Å |
| 1155 | P | 62.2 | Low | 79.1 | Confident | 14 Ų | 14 | 57.7 Ų | 57.7 | 9% | 0.091 | 34% | 0.341 | C | S | . | . | trans | -70.4 | 119.2 | 176.8 | 27.4 | -32.7 | 0 | 0 | 0 | 110.9 | A1153 A1159 Y1160 L1163 | A1153-P1155 WeakPolarHBondContact O-CD 3.47Å; P1155-A1159 HydrophobicContact CB-CB 3.8Å; P1155-Y1160 WeakPolarHBondContact O-CB 3.4Å; P1155-L1163 HydrophobicContact CB-CD1 4.29Å; P1155-L1163 HydrophobicContact CG-CD1 4.26Å | ||
| 1156 | T | 66.8 | Low | 79.2 | Confident | 121 Ų | 121 | 57.7 Ų | 57.7 | 74% | 0.742 | 34% | 0.341 | S | S | * | . | trans | -98.8 | 162.4 | 170.9 | 52.2 | 0 | 0 | 0 | 0 | 111.2 | L1154 V1158 A1159 | L1154-T1156 PolarHBondContact O-N 3.29Å; T1156-V1158 PolarHBondContact O-N 3.42Å; T1156-A1159 PolarHBondContact O-N 2.79Å | ||
| 1157 | G | 76.3 | Confident | 79.3 | Confident | 49 Ų | 49 | 55.1 Ų | 55.1 | 51% | 0.505 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | 51.8 | -132.7 | 174 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1159 Y1160 H1161 | G1157-A1159 PolarHBondContact O-N 3.33Å; G1157-Y1160 WeakPolarHBondContact O-CB 3.43Å; G1157-Y1160 PolarHBondContact O-N 3.4Å; G1157-H1161 PolarHBondContact O-CD2 3.33Å; G1157-H1161 PolarHBondContact O-N 3.12Å |
| 1158 | V | 81.9 | Confident | 79.5 | Confident | 114 Ų | 114 | 56.1 Ų | 56.1 | 69% | 0.691 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -54.3 | -37.8 | -174.8 | -176.8 | 0 | 0 | 0 | 0 | 112.7 | T1156 Y1160 H1161 V1162 | T1156-V1158 PolarHBondContact O-N 3.42Å; V1158-Y1160 VanDerWaalsContact C-N 3.31Å; V1158-Y1160 PolarHBondContact O-N 3.22Å; V1158-H1161 PolarHBondContact O-N 3.25Å; V1158-V1162 HydrophobicContact CG1-CG2 4.16Å; V1158-V1162 WeakPolarHBondContact O-CG2 3.44Å; V1158-V1162 PolarHBondContact O-N 2.74Å |
| 1159 | A | 82 | Confident | 79.6 | Confident | 21 Ų | 21 | 59.1 Ų | 59.1 | 17% | 0.174 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P1155 T1156 G1157 L1163 M1198 | P1155-A1159 HydrophobicContact CB-CB 3.8Å; T1156-A1159 PolarHBondContact O-N 2.79Å; G1157-A1159 PolarHBondContact O-N 3.33Å; A1159-L1163 WeakPolarHBondContact O-CB 3.27Å; A1159-L1163 WeakPolarHBondContact O-CG 3.13Å; A1159-L1163 PolarHBondContact O-N 3.03Å; A1159-L1163 VanDerWaalsContact O-N 3.16Å; A1159-M1198 HydrophobicContact CB-CG 4.27Å; A1159-M1198 HydrophobicContact CB-SD 3.55Å; A1159-M1198 VanDerWaalsContact CB-SD 3.55Å |
| 1160 | Y | 85 | Confident | 79.8 | Confident | 50 Ų | 50 | 58.9 Ų | 58.9 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.9 | -46.5 | 174.6 | 170.3 | -110.6 | 0 | 0 | 0 | 111.5 | C1149 P1151 P1155 G1157 V1158 V1162 L1163 N1164 | C1149-Y1160 WeakPolarHBondContact O-CE2 3.48Å; P1151-Y1160 HydrophobicContact CB-CD2 4.46Å; P1151-Y1160 HydrophobicContact CB-CE1 4.29Å; P1151-Y1160 HydrophobicContact CB-CE2 3.92Å; P1151-Y1160 HydrophobicContact CG-CE2 4.25Å; P1155-Y1160 WeakPolarHBondContact O-CB 3.4Å; G1157-Y1160 WeakPolarHBondContact O-CB 3.43Å; G1157-Y1160 PolarHBondContact O-N 3.4Å; V1158-Y1160 VanDerWaalsContact C-N 3.31Å; V1158-Y1160 PolarHBondContact O-N 3.22Å; Y1160-V1162 PolarHBondContact O-N 3.45Å; Y1160-L1163 PolarHBondContact O-N 3.44Å; Y1160-N1164 HydrophobicContact CD2-CB 4.39Å; Y1160-N1164 HydrophobicContact CE2-CB 3.89Å; Y1160-N1164 WeakPolarHBondContact O-CB 3.24Å; Y1160-N1164 PolarHBondContact O-N 2.96Å; Y1160-N1164 PolarHBondContact OH-OD1 3.32Å |
| 1161 | H | 86.4 | Confident | 80.2 | Confident | 125 Ų | 125 | 57.1 Ų | 57.1 | 58% | 0.579 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.6 | -46.2 | -178.7 | -69.4 | -71.3 | 0 | 0 | 0 | 112.4 | G1157 V1158 N1164 D1165 | G1157-H1161 PolarHBondContact O-CD2 3.33Å; G1157-H1161 PolarHBondContact O-N 3.12Å; V1158-H1161 PolarHBondContact O-N 3.25Å; H1161-N1164 PolarHBondContact O-N 2.92Å; H1161-D1165 WeakPolarHBondContact O-CB 3.5Å; H1161-D1165 PolarHBondContact O-N 3.17Å |
| 1162 | V | 89.7 | Confident | 81.4 | Confident | 43 Ų | 43 | 56.1 Ų | 56.1 | 26% | 0.261 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 179.4 | 176.2 | 0 | 0 | 0 | 0 | 111.8 | V1158 Y1160 D1165 A1166 A1193 A1195 | V1158-V1162 HydrophobicContact CG1-CG2 4.16Å; V1158-V1162 WeakPolarHBondContact O-CG2 3.44Å; V1158-V1162 PolarHBondContact O-N 2.74Å; Y1160-V1162 PolarHBondContact O-N 3.45Å; V1162-D1165 PolarHBondContact O-N 2.78Å; V1162-A1166 WeakPolarHBondContact O-CB 3.48Å; V1162-A1166 PolarHBondContact O-N 3.42Å; V1162-A1193 HydrophobicContact CG1-CB 3.81Å; V1162-A1195 HydrophobicContact CG1-CB 3.77Å |
| 1163 | L | 91.6 | Very high | 82.6 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -73.7 | -34.1 | -179.8 | -65.1 | 176.6 | 0 | 0 | 0 | 112.9 | C1149 P1155 A1159 Y1160 I1167 A1195 W1199 | C1149-L1163 HydrophobicContact CB-CB 4.28Å; P1155-L1163 HydrophobicContact CB-CD1 4.29Å; P1155-L1163 HydrophobicContact CG-CD1 4.26Å; A1159-L1163 WeakPolarHBondContact O-CB 3.27Å; A1159-L1163 WeakPolarHBondContact O-CG 3.13Å; A1159-L1163 PolarHBondContact O-N 3.03Å; A1159-L1163 VanDerWaalsContact O-N 3.16Å; Y1160-L1163 PolarHBondContact O-N 3.44Å; L1163-I1167 PolarHBondContact O-N 3.2Å; L1163-I1167 VanDerWaalsContact O-N 3.07Å; L1163-A1195 HydrophobicContact CD2-CB 3.93Å; L1163-W1199 HydrophobicContact CD1-CB 4.36Å; L1163-W1199 HydrophobicContact CD2-CB 3.75Å; L1163-W1199 HydrophobicContact CD2-CG 4.37Å |
| 1164 | N | 90.1 | Very high | 83.1 | Confident | 58 Ų | 58 | 59.1 Ų | 59.1 | 31% | 0.31 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -70.3 | -35.6 | 174.1 | -178.2 | 77.3 | 0 | 0 | 0 | 111.8 | Y1160 H1161 I1167 S1168 | Y1160-N1164 HydrophobicContact CD2-CB 4.39Å; Y1160-N1164 HydrophobicContact CE2-CB 3.89Å; Y1160-N1164 WeakPolarHBondContact O-CB 3.24Å; Y1160-N1164 PolarHBondContact O-N 2.96Å; Y1160-N1164 PolarHBondContact OH-OD1 3.32Å; H1161-N1164 PolarHBondContact O-N 2.92Å; N1164-I1167 PolarHBondContact O-N 3.2Å; N1164-S1168 WeakPolarHBondContact O-CB 3.44Å; N1164-S1168 PolarHBondContact O-N 2.89Å; N1164-S1168 PolarHBondContact O-OG 3.48Å |
| 1165 | D | 90.9 | Very high | 83.7 | Confident | 83 Ų | 83 | 59.7 Ų | 59.7 | 44% | 0.444 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.6 | -46.8 | 171.4 | -174.5 | 59.7 | 0 | 0 | 0 | 111.4 | H1161 V1162 I1167 S1168 Q1169 | H1161-D1165 WeakPolarHBondContact O-CB 3.5Å; H1161-D1165 PolarHBondContact O-N 3.17Å; V1162-D1165 PolarHBondContact O-N 2.78Å; D1165-I1167 VanDerWaalsContact C-N 3.25Å; D1165-I1167 PolarHBondContact O-N 2.9Å; D1165-S1168 CarbonylContact O-C 3.5Å; D1165-S1168 WeakPolarHBondContact O-CA 3.39Å; D1165-S1168 WeakPolarHBondContact O-CB 3.48Å; D1165-S1168 PolarHBondContact O-N 2.87Å; D1165-Q1169 WeakPolarHBondContact O-CG 3.3Å; D1165-Q1169 PolarHBondContact O-N 3.02Å; D1165-Q1169 PolarHBondContact OD2-NE2 2.81Å |
| 1166 | A | 91.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -55.7 | -37.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | V1162 V1170 F1186 A1189 | V1162-A1166 WeakPolarHBondContact O-CB 3.48Å; V1162-A1166 PolarHBondContact O-N 3.42Å; A1166-V1170 WeakPolarHBondContact O-CG2 3.43Å; A1166-V1170 PolarHBondContact O-N 3.27Å; A1166-F1186 HydrophobicContact CB-CD2 4.4Å; A1166-F1186 HydrophobicContact CB-CE2 4.28Å; A1166-A1189 HydrophobicContact CB-CB 3.79Å |
| 1167 | I | 90.9 | Very high | 84.5 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.7 | -39.1 | 170.9 | -75.1 | -169.7 | 0 | 0 | 0 | 112.2 | V1145 C1149 L1163 N1164 D1165 V1170 K1171 F1186 | V1145-I1167 HydrophobicContact CG1-CD1 3.76Å; V1145-I1167 HydrophobicContact CG1-CG1 4.12Å; C1149-I1167 HydrophobicContact CB-CD1 3.53Å; C1149-I1167 HydrophobicContact CB-CG1 4.47Å; L1163-I1167 PolarHBondContact O-N 3.2Å; L1163-I1167 VanDerWaalsContact O-N 3.07Å; N1164-I1167 PolarHBondContact O-N 3.2Å; D1165-I1167 VanDerWaalsContact C-N 3.25Å; D1165-I1167 PolarHBondContact O-N 2.9Å; I1167-V1170 PolarHBondContact O-N 3.25Å; I1167-K1171 HydrophobicContact CG2-CD 3.65Å; I1167-K1171 VanDerWaalsContact CG2-CE 3.45Å; I1167-K1171 HydrophobicContact CG2-CG 4.19Å; I1167-K1171 WeakPolarHBondContact O-CB 3.47Å; I1167-K1171 WeakPolarHBondContact O-CG 3.47Å; I1167-K1171 PolarHBondContact O-N 3.12Å; I1167-F1186 HydrophobicContact CD1-CE2 4.39Å; I1167-F1186 HydrophobicContact CG1-CD2 3.79Å; I1167-F1186 HydrophobicContact CG1-CE2 3.67Å |
| 1168 | S | 90 | Very high | 84.7 | Confident | 49 Ų | 49 | 62.1 Ų | 62.1 | 34% | 0.343 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | -179.9 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | N1164 D1165 V1170 K1171 A1172 | N1164-S1168 WeakPolarHBondContact O-CB 3.44Å; N1164-S1168 PolarHBondContact O-N 2.89Å; N1164-S1168 PolarHBondContact O-OG 3.48Å; D1165-S1168 CarbonylContact O-C 3.5Å; D1165-S1168 WeakPolarHBondContact O-CA 3.39Å; D1165-S1168 WeakPolarHBondContact O-CB 3.48Å; D1165-S1168 PolarHBondContact O-N 2.87Å; S1168-V1170 VanDerWaalsContact C-N 3.33Å; S1168-V1170 PolarHBondContact O-N 2.94Å; S1168-K1171 PolarHBondContact O-N 2.92Å; S1168-K1171 VanDerWaalsContact O-N 3.17Å; S1168-A1172 PolarHBondContact O-N 2.95Å |
| 1169 | Q | 88.3 | Confident | 84.7 | Confident | 69 Ų | 69 | 58.8 Ų | 58.8 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -54.7 | -46.5 | 171.8 | -66.5 | 179 | 29.4 | 0 | 0 | 111.5 | D1165 A1172 I1250 | D1165-Q1169 WeakPolarHBondContact O-CG 3.3Å; D1165-Q1169 PolarHBondContact O-N 3.02Å; D1165-Q1169 PolarHBondContact OD2-NE2 2.81Å; Q1169-A1172 PolarHBondContact O-N 3.16Å; Q1169-I1250 HydrophobicContact CB-CD1 4.13Å |
| 1170 | V | 89.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71.8 | -31.5 | 178.3 | 178.5 | 0 | 0 | 0 | 0 | 112.8 | W1142 A1166 I1167 S1168 L1173 K1182 G1185 F1186 A1189 I1250 | W1142-V1170 HydrophobicContact CH2-CB 4.05Å; W1142-V1170 HydrophobicContact CH2-CG1 3.54Å; W1142-V1170 HydrophobicContact CZ2-CG1 4.17Å; W1142-V1170 HydrophobicContact CZ3-CG1 4.11Å; A1166-V1170 WeakPolarHBondContact O-CG2 3.43Å; A1166-V1170 PolarHBondContact O-N 3.27Å; I1167-V1170 PolarHBondContact O-N 3.25Å; S1168-V1170 VanDerWaalsContact C-N 3.33Å; S1168-V1170 PolarHBondContact O-N 2.94Å; V1170-L1173 PolarHBondContact O-N 2.86Å; V1170-K1182 HydrophobicContact CG1-CB 4.15Å; V1170-G1185 VanDerWaalsContact CG2-C 3.48Å; V1170-F1186 HydrophobicContact CG2-CB 4.13Å; V1170-A1189 HydrophobicContact CG2-CB 4.5Å; V1170-I1250 HydrophobicContact CG2-CG2 4.49Å |
| 1171 | K | 87.7 | Confident | 84.6 | Confident | 105 Ų | 105 | 61.5 Ų | 61.5 | 46% | 0.457 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -73.5 | -27 | 175.8 | -76.4 | 178 | 177.4 | 174.7 | 0 | 113.1 | E1146 I1167 S1168 L1173 | E1146-K1171 WeakPolarHBondContact OE1-CE 3.25Å; E1146-K1171 IonicContact OE1-NZ 2.66Å; E1146-K1171 PolarHBondContact OE1-NZ 3.18Å; E1146-K1171 VanDerWaalsContact OE1-NZ 3.13Å; I1167-K1171 HydrophobicContact CG2-CD 3.65Å; I1167-K1171 VanDerWaalsContact CG2-CE 3.45Å; I1167-K1171 HydrophobicContact CG2-CG 4.19Å; I1167-K1171 WeakPolarHBondContact O-CB 3.47Å; I1167-K1171 WeakPolarHBondContact O-CG 3.47Å; I1167-K1171 PolarHBondContact O-N 3.12Å; S1168-K1171 PolarHBondContact O-N 2.92Å; S1168-K1171 VanDerWaalsContact O-N 3.17Å; K1171-L1173 PolarHBondContact O-N 3.38Å |
| 1172 | A | 88.3 | Confident | 84.7 | Confident | 72 Ų | 72 | 58 Ų | 58 | 60% | 0.595 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66.8 | -22.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1168 Q1169 T1174 | S1168-A1172 PolarHBondContact O-N 2.95Å; Q1169-A1172 PolarHBondContact O-N 3.16Å; A1172-T1174 VanDerWaalsContact C-N 3.29Å; A1172-T1174 PolarHBondContact O-N 3.35Å |
| 1173 | L | 85.5 | Confident | 84.7 | Confident | 27 Ų | 27 | 56 Ų | 56 | 14% | 0.141 | 31% | 0.308 | C | S | . | . | trans | -77.4 | 77.2 | 177.3 | -59.7 | 174.9 | 0 | 0 | 0 | 111.1 | V1170 K1171 N1175 I1176 I1250 V1254 | V1170-L1173 PolarHBondContact O-N 2.86Å; K1171-L1173 PolarHBondContact O-N 3.38Å; L1173-N1175 PolarHBondContact O-N 2.73Å; L1173-I1176 HydrophobicContact CB-CD1 3.55Å; L1173-I1176 HydrophobicContact CB-CG1 3.82Å; L1173-I1176 HydrophobicContact CD1-CD1 3.76Å; L1173-I1176 HydrophobicContact CG-CD1 4.3Å; L1173-I1176 PolarHBondContact O-N 3.07Å; L1173-I1176 VanDerWaalsContact O-N 3.1Å; L1173-I1250 HydrophobicContact CD1-CB 4.24Å; L1173-I1250 HydrophobicContact CD1-CG2 3.6Å; L1173-V1254 HydrophobicContact CD1-CG2 4.29Å | ||
| 1174 | T | 70.4 | Confident | 84.5 | Confident | 136 Ų | 136 | 56.3 Ų | 56.3 | 83% | 0.834 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -20.6 | -177.7 | 57.1 | 0 | 0 | 0 | 0 | 114.8 | A1172 | A1172-T1174 VanDerWaalsContact C-N 3.29Å; A1172-T1174 PolarHBondContact O-N 3.35Å |
| 1175 | N | 72.4 | Confident | 84.5 | Confident | 112 Ų | 112 | 53.5 Ų | 53.5 | 60% | 0.599 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -3.5 | -178.5 | 45.3 | 6.1 | 0 | 0 | 0 | 114.6 | L1173 | L1173-N1175 PolarHBondContact O-N 2.73Š|
| 1176 | I | 75.1 | Confident | 84.6 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 6% | 0.056 | 27% | 0.273 | C | S | . | . | trans | -96.6 | 110.2 | -180 | -42.3 | 176.2 | 0 | 0 | 0 | 112.8 | L1173 T1181 K1182 V1254 | L1173-I1176 HydrophobicContact CB-CD1 3.55Å; L1173-I1176 HydrophobicContact CB-CG1 3.82Å; L1173-I1176 HydrophobicContact CD1-CD1 3.76Å; L1173-I1176 HydrophobicContact CG-CD1 4.3Å; L1173-I1176 PolarHBondContact O-N 3.07Å; L1173-I1176 VanDerWaalsContact O-N 3.1Å; I1176-T1181 HydrophobicContact CG2-CG2 3.75Å; I1176-K1182 HydrophobicContact CB-CG 4.02Å; I1176-K1182 HydrophobicContact CG2-CB 4.4Å; I1176-K1182 HydrophobicContact CG2-CG 3.48Å; I1176-K1182 VanDerWaalsContact CG2-CG 3.48Å; I1176-K1182 WeakPolarHBondContact O-CE 3.4Å; I1176-V1254 HydrophobicContact CD1-CB 4.17Å; I1176-V1254 HydrophobicContact CD1-CG1 3.49Å; I1176-V1254 VanDerWaalsContact CD1-CG1 3.49Å; I1176-V1254 HydrophobicContact CD1-CG2 3.6Å; I1176-V1254 HydrophobicContact CG1-CG1 3.58Å | ||
| 1177 | T | 72.1 | Confident | 84.6 | Confident | 123 Ų | 123 | 49.7 Ų | 49.7 | 76% | 0.755 | 27% | 0.274 | S | S | * | . | trans | -105.7 | -11 | 177.7 | 58.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1178 | L | 80.1 | Confident | 84.5 | Confident | 101 Ų | 101 | 49.4 Ų | 49.4 | 53% | 0.529 | 27% | 0.273 | S | S | . | . | trans | -102.5 | 129.5 | -176.3 | -169.3 | 70.1 | 0 | 0 | 0 | 111.9 | K1180 T1181 K1182 | L1178-K1180 PolarHBondContact O-N 3.25Å; L1178-T1181 WeakPolarHBondContact O-CB 3.33Å; L1178-T1181 PolarHBondContact O-N 3.04Å; L1178-K1182 PolarHBondContact O-N 3.06Å | ||
| 1179 | E | 81.2 | Confident | 84.5 | Confident | 43 Ų | 43 | 47.1 Ų | 47.1 | 20% | 0.201 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.2 | -45.2 | -175.7 | -67.6 | 154.4 | 171.5 | 0 | 0 | 112.9 | R1138 T1139 W1142 T1181 K1182 F1183 | R1138-E1179 VanDerWaalsContact CA-OE2 3.31Å; R1138-E1179 WeakPolarHBondContact CA-OE2 3.43Å; R1138-E1179 VanDerWaalsContact CB-OE1 3.27Å; R1138-E1179 WeakPolarHBondContact CB-OE1 3.47Å; R1138-E1179 VanDerWaalsContact CB-OE2 3.27Å; R1138-E1179 WeakPolarHBondContact CB-OE2 3.39Å; R1138-E1179 WeakPolarHBondContact CD-OE1 3.43Å; R1138-E1179 VanDerWaalsContact CG-OE1 3.25Å; R1138-E1179 WeakPolarHBondContact CG-OE1 3.32Å; R1138-E1179 WeakPolarHBondContact CG-OE2 3.32Å; R1138-E1179 IonicContact NE-OE1 3.85Å; T1139-E1179 PolarHBondContact N-OE2 3.12Å; T1139-E1179 PolarHBondContact OG1-OE2 3.46Å; W1142-E1179 HydrophobicContact CB-CB 4.09Å; W1142-E1179 HydrophobicContact CB-CG 4.1Å; E1179-T1181 PolarHBondContact O-N 3.4Å; E1179-K1182 PolarHBondContact O-N 3.3Å; E1179-F1183 WeakPolarHBondContact O-CB 3.31Å; E1179-F1183 PolarHBondContact O-N 2.86Å |
| 1180 | K | 81.8 | Confident | 84.7 | Confident | 92 Ų | 92 | 43.8 Ų | 43.8 | 40% | 0.4 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57 | -36.2 | 173.9 | -72 | -166.2 | 172.6 | -165.4 | 0 | 112.4 | L1178 K1184 | L1178-K1180 PolarHBondContact O-N 3.25Å; K1180-K1184 WeakPolarHBondContact O-CB 3.49Å; K1180-K1184 PolarHBondContact O-N 2.8Å |
| 1181 | T | 84.5 | Confident | 84.7 | Confident | 36 Ų | 36 | 43.9 Ų | 43.9 | 22% | 0.221 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -77.6 | -36.4 | -179.5 | -52.4 | 0 | 0 | 0 | 0 | 111.9 | I1176 L1178 E1179 K1184 G1185 V1254 | I1176-T1181 HydrophobicContact CG2-CG2 3.75Å; L1178-T1181 WeakPolarHBondContact O-CB 3.33Å; L1178-T1181 PolarHBondContact O-N 3.04Å; E1179-T1181 PolarHBondContact O-N 3.4Å; T1181-K1184 PolarHBondContact O-N 3.43Å; T1181-G1185 PolarHBondContact O-N 3.35Å; T1181-V1254 HydrophobicContact CG2-CB 4.35Å; T1181-V1254 HydrophobicContact CG2-CG1 3.77Å; T1181-V1254 VanDerWaalsContact CG2-O 3.31Å; T1181-V1254 WeakPolarHBondContact CG2-O 3.31Å |
| 1182 | K | 88 | Confident | 84.8 | Confident | 52 Ų | 52 | 41 Ų | 41 | 23% | 0.226 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 169.5 | -66.3 | -165.4 | 175.6 | -163.7 | 0 | 111.2 | W1142 V1170 I1176 L1178 E1179 K1184 G1185 F1186 | W1142-K1182 HydrophobicContact CD2-CB 3.57Å; W1142-K1182 HydrophobicContact CD2-CD 3.86Å; W1142-K1182 HydrophobicContact CD2-CG 4.37Å; W1142-K1182 HydrophobicContact CE3-CB 3.38Å; W1142-K1182 HydrophobicContact CG-CB 4.25Å; W1142-K1182 HydrophobicContact CG-CD 4.12Å; W1142-K1182 HydrophobicContact CH2-CB 4.12Å; W1142-K1182 HydrophobicContact CZ2-CB 4.28Å; W1142-K1182 HydrophobicContact CZ2-CD 4.13Å; W1142-K1182 HydrophobicContact CZ3-CB 3.67Å; W1142-K1182 WeakPolarHBondContact CZ3-O 3.23Å; V1170-K1182 HydrophobicContact CG1-CB 4.15Å; I1176-K1182 HydrophobicContact CB-CG 4.02Å; I1176-K1182 HydrophobicContact CG2-CB 4.4Å; I1176-K1182 HydrophobicContact CG2-CG 3.48Å; I1176-K1182 VanDerWaalsContact CG2-CG 3.48Å; I1176-K1182 WeakPolarHBondContact O-CE 3.4Å; L1178-K1182 PolarHBondContact O-N 3.06Å; E1179-K1182 PolarHBondContact O-N 3.3Å; K1182-K1184 PolarHBondContact O-N 2.95Å; K1182-G1185 PolarHBondContact O-N 2.65Å; K1182-F1186 PolarHBondContact O-N 3.21Å |
| 1183 | F | 89.5 | Confident | 84.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.1 | -47.4 | 175 | -178.5 | -99.1 | 0 | 0 | 0 | 111.8 | T1118 L1121 L1141 V1145 E1179 G1185 F1186 I1187 W1199 | T1118-F1183 HydrophobicContact CG2-CD1 4.12Å; T1118-F1183 HydrophobicContact CG2-CE1 4.13Å; T1118-F1183 WeakPolarHBondContact OG1-CE1 3.29Å; L1121-F1183 HydrophobicContact CD1-CE2 4.45Å; L1121-F1183 HydrophobicContact CD1-CZ 3.73Å; L1141-F1183 HydrophobicContact CD1-CD2 4.06Å; L1141-F1183 HydrophobicContact CD1-CE2 3.91Å; L1141-F1183 HydrophobicContact CD1-CZ 4.39Å; L1141-F1183 HydrophobicContact CD2-CB 3.96Å; L1141-F1183 HydrophobicContact CD2-CD1 3.7Å; L1141-F1183 HydrophobicContact CD2-CD2 3.67Å; L1141-F1183 HydrophobicContact CD2-CE1 4.11Å; L1141-F1183 HydrophobicContact CD2-CE2 4.1Å; L1141-F1183 HydrophobicContact CD2-CG 3.46Å; L1141-F1183 VanDerWaalsContact CD2-CG 3.46Å; L1141-F1183 HydrophobicContact CD2-CZ 4.3Å; L1141-F1183 HydrophobicContact CG-CB 4.4Å; L1141-F1183 HydrophobicContact CG-CD2 3.59Å; L1141-F1183 HydrophobicContact CG-CE2 3.98Å; L1141-F1183 HydrophobicContact CG-CG 3.91Å; V1145-F1183 HydrophobicContact CG2-CD2 3.85Å; V1145-F1183 HydrophobicContact CG2-CE2 4.05Å; E1179-F1183 WeakPolarHBondContact O-CB 3.31Å; E1179-F1183 PolarHBondContact O-N 2.86Å; F1183-G1185 VanDerWaalsContact C-N 3.35Å; F1183-G1185 PolarHBondContact O-N 2.68Å; F1183-F1186 PolarHBondContact O-N 2.92Å; F1183-F1186 VanDerWaalsContact O-N 3.14Å; F1183-I1187 HydrophobicContact CD1-CG1 4.25Å; F1183-I1187 HydrophobicContact CE1-CD1 4.21Å; F1183-I1187 HydrophobicContact CE1-CG1 3.74Å; F1183-I1187 HydrophobicContact CE2-CD1 4.14Å; F1183-I1187 HydrophobicContact CE2-CG1 4.28Å; F1183-I1187 HydrophobicContact CZ-CD1 3.7Å; F1183-I1187 HydrophobicContact CZ-CG1 3.75Å; F1183-I1187 WeakPolarHBondContact O-CG1 3.23Å; F1183-I1187 PolarHBondContact O-N 3.12Å; F1183-W1199 AromaticContact CE2-CH2 3.99Å; F1183-W1199 HydrophobicContact CE2-CH2 3.99Å; F1183-W1199 HydrophobicContact CZ-CH2 4.49Å |
| 1184 | K | 88 | Confident | 85.1 | Confident | 8 Ų | 8 | 42.4 Ų | 42.4 | 4% | 0.035 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -52.1 | -51.6 | 172.1 | -175.9 | -177.2 | -170.7 | -159.4 | 0 | 111.6 | I1114 K1180 T1181 K1182 F1186 I1187 C1188 E1253 K1256 | I1114-K1184 HydrophobicContact CD1-CG 4.13Å; I1114-K1184 HydrophobicContact CG2-CG 4.22Å; K1180-K1184 WeakPolarHBondContact O-CB 3.49Å; K1180-K1184 PolarHBondContact O-N 2.8Å; T1181-K1184 PolarHBondContact O-N 3.43Å; K1182-K1184 PolarHBondContact O-N 2.95Å; K1184-F1186 VanDerWaalsContact C-N 3.3Å; K1184-F1186 PolarHBondContact O-N 3.23Å; K1184-I1187 PolarHBondContact O-N 3.14Å; K1184-C1188 PolarHBondContact O-N 3.28Å; K1184-C1188 VanDerWaalsContact O-N 3.09Å; K1184-C1188 PolarHBondContact O-SG 2.95Å; K1184-E1253 WeakPolarHBondContact CE-O 3.32Å; K1184-E1253 WeakPolarHBondContact CE-OE1 3.46Å; K1184-E1253 PolarHBondContact NZ-O 2.8Å; K1184-E1253 IonicContact NZ-OE1 3.13Å; K1184-E1253 PolarHBondContact NZ-OE1 3.01Å; K1184-K1256 PolarHBondContact NZ-O 3.2Å |
| 1185 | G | 89.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59 | -38.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V1170 T1181 K1182 F1183 C1188 A1189 | V1170-G1185 VanDerWaalsContact CG2-C 3.48Å; T1181-G1185 PolarHBondContact O-N 3.35Å; K1182-G1185 PolarHBondContact O-N 2.65Å; F1183-G1185 VanDerWaalsContact C-N 3.35Å; F1183-G1185 PolarHBondContact O-N 2.68Å; G1185-C1188 WeakPolarHBondContact O-CB 3.5Å; G1185-C1188 PolarHBondContact O-N 3.11Å; G1185-A1189 PolarHBondContact O-N 3.25Å |
| 1186 | F | 92.1 | Very high | 87 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.2 | -39.2 | 177.7 | 170.6 | -100.2 | 0 | 0 | 0 | 113 | W1142 V1145 A1166 I1167 V1170 K1182 F1183 K1184 C1188 A1189 C1190 W1199 | W1142-F1186 HydrophobicContact CH2-CB 4.25Å; W1142-F1186 HydrophobicContact CZ3-CB 3.76Å; W1142-F1186 HydrophobicContact CZ3-CG 4.4Å; V1145-F1186 HydrophobicContact CG1-CD1 3.76Å; V1145-F1186 HydrophobicContact CG1-CD2 3.88Å; V1145-F1186 HydrophobicContact CG1-CE1 3.74Å; V1145-F1186 HydrophobicContact CG1-CE2 3.87Å; V1145-F1186 HydrophobicContact CG1-CG 3.82Å; V1145-F1186 HydrophobicContact CG1-CZ 3.79Å; V1145-F1186 HydrophobicContact CG2-CD1 3.97Å; V1145-F1186 HydrophobicContact CG2-CE1 4Å; A1166-F1186 HydrophobicContact CB-CD2 4.4Å; A1166-F1186 HydrophobicContact CB-CE2 4.28Å; I1167-F1186 HydrophobicContact CD1-CE2 4.39Å; I1167-F1186 HydrophobicContact CG1-CD2 3.79Å; I1167-F1186 HydrophobicContact CG1-CE2 3.67Å; V1170-F1186 HydrophobicContact CG2-CB 4.13Å; K1182-F1186 PolarHBondContact O-N 3.21Å; F1183-F1186 PolarHBondContact O-N 2.92Å; F1183-F1186 VanDerWaalsContact O-N 3.14Å; K1184-F1186 VanDerWaalsContact C-N 3.3Å; K1184-F1186 PolarHBondContact O-N 3.23Å; F1186-C1188 VanDerWaalsContact C-N 3.27Å; F1186-C1188 PolarHBondContact O-N 3.33Å; F1186-A1189 PolarHBondContact O-N 2.78Å; F1186-C1190 VanDerWaalsContact CE2-SG 3.59Å; F1186-C1190 WeakPolarHBondContact CZ-SG 3.12Å; F1186-C1190 WeakPolarHBondContact O-CB 3.26Å; F1186-C1190 PolarHBondContact O-N 2.89Å; F1186-C1190 PolarHBondContact O-SG 3.37Å; F1186-W1199 AromaticContact CE1-CD2 3.69Å; F1186-W1199 HydrophobicContact CE1-CD2 3.69Å; F1186-W1199 AromaticContact CE1-CE2 3.61Å; F1186-W1199 HydrophobicContact CE1-CE3 4.09Å; F1186-W1199 HydrophobicContact CE1-CG 4.12Å; F1186-W1199 HydrophobicContact CE1-CH2 4.35Å; F1186-W1199 AromaticContact CE1-CZ2 3.97Å; F1186-W1199 HydrophobicContact CE1-CZ2 3.97Å; F1186-W1199 HydrophobicContact CE1-CZ3 4.4Å; F1186-W1199 AromaticContact CE1-NE1 3.92Å; F1186-W1199 AromaticContact CZ-CD1 3.78Å; F1186-W1199 AromaticContact CZ-CD2 4Å; F1186-W1199 HydrophobicContact CZ-CD2 4Å; F1186-W1199 AromaticContact CZ-CE2 3.95Å; F1186-W1199 AromaticContact CZ-CG 3.92Å; F1186-W1199 HydrophobicContact CZ-CG 3.92Å; F1186-W1199 AromaticContact CZ-NE1 3.78Å |
| 1187 | I | 91.2 | Very high | 87.8 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.6 | -37.4 | 171.8 | -61 | -62.7 | 0 | 0 | 0 | 110.7 | I1114 L1117 F1183 K1184 C1190 L1191 L1196 W1199 | I1114-I1187 HydrophobicContact CG1-CG2 3.96Å; L1117-I1187 HydrophobicContact CD2-CD1 4.3Å; L1117-I1187 HydrophobicContact CD2-CG2 4.37Å; F1183-I1187 HydrophobicContact CD1-CG1 4.25Å; F1183-I1187 HydrophobicContact CE1-CD1 4.21Å; F1183-I1187 HydrophobicContact CE1-CG1 3.74Å; F1183-I1187 HydrophobicContact CE2-CD1 4.14Å; F1183-I1187 HydrophobicContact CE2-CG1 4.28Å; F1183-I1187 HydrophobicContact CZ-CD1 3.7Å; F1183-I1187 HydrophobicContact CZ-CG1 3.75Å; F1183-I1187 WeakPolarHBondContact O-CG1 3.23Å; F1183-I1187 PolarHBondContact O-N 3.12Å; K1184-I1187 PolarHBondContact O-N 3.14Å; I1187-C1190 PolarHBondContact O-N 2.99Å; I1187-L1191 HydrophobicContact CG2-CD1 4.22Å; I1187-L1191 WeakPolarHBondContact O-CG 3.43Å; I1187-L1191 PolarHBondContact O-N 2.81Å; I1187-L1196 HydrophobicContact CD1-CD1 3.71Å; I1187-L1196 HydrophobicContact CG2-CD1 4.39Å; I1187-L1196 HydrophobicContact CG2-CD2 4.39Å; I1187-W1199 HydrophobicContact CD1-CZ3 4.03Å |
| 1188 | C | 89.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.4 | -42.2 | 175.6 | -57.1 | 0 | 0 | 0 | 0 | 112.2 | K1184 G1185 F1186 L1191 N1192 L1248 I1250 E1253 | K1184-C1188 PolarHBondContact O-N 3.28Å; K1184-C1188 VanDerWaalsContact O-N 3.09Å; K1184-C1188 PolarHBondContact O-SG 2.95Å; G1185-C1188 WeakPolarHBondContact O-CB 3.5Å; G1185-C1188 PolarHBondContact O-N 3.11Å; F1186-C1188 VanDerWaalsContact C-N 3.27Å; F1186-C1188 PolarHBondContact O-N 3.33Å; C1188-L1191 PolarHBondContact O-N 3.48Å; C1188-N1192 PolarHBondContact O-N 2.95Å; C1188-L1248 HydrophobicContact CB-CD1 3.9Å; C1188-I1250 HydrophobicContact CB-CG1 4.43Å; C1188-E1253 HydrophobicContact CB-CG 4.43Å; C1188-E1253 WeakPolarHBondContact SG-CG 3.43Å |
| 1189 | A | 90.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61 | -42.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1166 V1170 G1185 F1186 L1191 N1192 A1193 I1250 | A1166-A1189 HydrophobicContact CB-CB 3.79Å; V1170-A1189 HydrophobicContact CG2-CB 4.5Å; G1185-A1189 PolarHBondContact O-N 3.25Å; F1186-A1189 PolarHBondContact O-N 2.78Å; A1189-L1191 VanDerWaalsContact C-N 3.32Å; A1189-L1191 PolarHBondContact O-N 3.38Å; A1189-N1192 PolarHBondContact O-N 3.13Å; A1189-A1193 VanDerWaalsContact O-CB 3.29Å; A1189-A1193 WeakPolarHBondContact O-CB 3.49Å; A1189-A1193 PolarHBondContact O-N 3.43Å; A1189-I1250 HydrophobicContact CB-CD1 3.74Å |
| 1190 | C | 92 | Very high | 89.8 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.5 | -30.2 | 176.3 | -67.3 | 0 | 0 | 0 | 0 | 113.3 | F1186 I1187 K1194 A1195 L1196 | F1186-C1190 VanDerWaalsContact CE2-SG 3.59Å; F1186-C1190 WeakPolarHBondContact CZ-SG 3.12Å; F1186-C1190 WeakPolarHBondContact O-CB 3.26Å; F1186-C1190 PolarHBondContact O-N 2.89Å; F1186-C1190 PolarHBondContact O-SG 3.37Å; I1187-C1190 PolarHBondContact O-N 2.99Å; C1190-K1194 CarbonylContact O-C 3.55Å; C1190-K1194 WeakPolarHBondContact O-CA 3.4Å; C1190-K1194 PolarHBondContact O-N 2.89Å; C1190-K1194 VanDerWaalsContact O-N 3.07Å; C1190-A1195 PolarHBondContact O-N 3.5Å; C1190-L1196 HydrophobicContact CB-CB 4.07Å; C1190-L1196 HydrophobicContact CB-CD1 4.29Å; C1190-L1196 PolarHBondContact O-N 3.47Å |
| 1191 | L | 89.8 | Confident | 90.2 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70.8 | -48.6 | 172.7 | -74.5 | 167.4 | 0 | 0 | 0 | 111 | L1110 I1187 C1188 A1189 A1193 K1194 L1196 L1241 F1246 L1248 | L1110-L1191 HydrophobicContact CD2-CD1 4.32Å; I1187-L1191 HydrophobicContact CG2-CD1 4.22Å; I1187-L1191 WeakPolarHBondContact O-CG 3.43Å; I1187-L1191 PolarHBondContact O-N 2.81Å; C1188-L1191 PolarHBondContact O-N 3.48Å; A1189-L1191 VanDerWaalsContact C-N 3.32Å; A1189-L1191 PolarHBondContact O-N 3.38Å; L1191-A1193 VanDerWaalsContact C-N 3.31Å; L1191-A1193 PolarHBondContact O-N 3.29Å; L1191-K1194 PolarHBondContact O-N 3.43Å; L1191-K1194 VanDerWaalsContact O-N 3.08Å; L1191-L1196 HydrophobicContact CD2-CD2 3.83Å; L1191-L1196 HydrophobicContact CG-CD2 4.25Å; L1191-L1241 HydrophobicContact CD2-CB 4.35Å; L1191-L1241 HydrophobicContact CD2-CD1 3.89Å; L1191-F1246 HydrophobicContact CB-CD2 3.83Å; L1191-F1246 HydrophobicContact CB-CE2 4.45Å; L1191-F1246 HydrophobicContact CB-CG 4.4Å; L1191-F1246 HydrophobicContact CD2-CD2 4.11Å; L1191-F1246 HydrophobicContact CD2-CE2 3.87Å; L1191-L1248 HydrophobicContact CD1-CD1 4.41Å |
| 1192 | N | 89.4 | Confident | 90.4 | Very high | 44 Ų | 44 | 20 Ų | 20 | 24% | 0.235 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56.6 | -45.1 | 174.8 | -69.7 | -7.8 | 0 | 0 | 0 | 111.8 | C1188 A1189 K1194 F1246 L1248 | C1188-N1192 PolarHBondContact O-N 2.95Å; A1189-N1192 PolarHBondContact O-N 3.13Å; N1192-K1194 VanDerWaalsContact C-N 3.27Å; N1192-K1194 PolarHBondContact O-N 2.81Å; N1192-F1246 PolarHBondContact OD1-O 2.98Å; N1192-L1248 PolarHBondContact ND2-O 3.13Å; N1192-L1248 WeakPolarHBondContact OD1-CB 3.42Å; N1192-L1248 PolarHBondContact OD1-N 2.9Å |
| 1193 | A | 89.1 | Confident | 90.5 | Very high | 42 Ų | 42 | 17.6 Ų | 17.6 | 35% | 0.347 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | V1162 A1189 L1191 A1195 | V1162-A1193 HydrophobicContact CG1-CB 3.81Å; A1189-A1193 VanDerWaalsContact O-CB 3.29Å; A1189-A1193 WeakPolarHBondContact O-CB 3.49Å; A1189-A1193 PolarHBondContact O-N 3.43Å; L1191-A1193 VanDerWaalsContact C-N 3.31Å; L1191-A1193 PolarHBondContact O-N 3.29Å; A1193-A1195 HydrophobicContact CB-CB 4.4Å; A1193-A1195 PolarHBondContact O-N 3.02Å; A1193-A1195 VanDerWaalsContact O-N 3.07Å |
| 1194 | K | 89.9 | Confident | 90.6 | Very high | 87 Ų | 87 | 18.1 Ų | 18.1 | 38% | 0.378 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 24.3 | -176.3 | -62.3 | -168.3 | 178.3 | -163.4 | 0 | 115.3 | C1190 L1191 N1192 L1242 F1244 | C1190-K1194 CarbonylContact O-C 3.55Å; C1190-K1194 WeakPolarHBondContact O-CA 3.4Å; C1190-K1194 PolarHBondContact O-N 2.89Å; C1190-K1194 VanDerWaalsContact O-N 3.07Å; L1191-K1194 PolarHBondContact O-N 3.43Å; L1191-K1194 VanDerWaalsContact O-N 3.08Å; N1192-K1194 VanDerWaalsContact C-N 3.27Å; N1192-K1194 PolarHBondContact O-N 2.81Å; K1194-L1242 HydrophobicContact CB-CD2 3.92Å; K1194-L1242 WeakPolarHBondContact CD-O 3.43Å; K1194-L1242 VanDerWaalsContact CE-O 3.31Å; K1194-L1242 WeakPolarHBondContact CE-O 3.4Å; K1194-L1242 HydrophobicContact CG-CD2 4.38Å; K1194-L1242 PolarHBondContact NZ-O 3.35Å; K1194-L1242 WeakPolarHBondContact O-CD2 3.42Å; K1194-F1244 WeakPolarHBondContact CE-O 3.47Å; K1194-F1244 PolarHBondContact NZ-O 3.31Å |
| 1195 | A | 91.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | trans | -99.3 | 5.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1162 L1163 C1190 A1193 M1198 W1199 | V1162-A1195 HydrophobicContact CG1-CB 3.77Å; L1163-A1195 HydrophobicContact CD2-CB 3.93Å; C1190-A1195 PolarHBondContact O-N 3.5Å; A1193-A1195 HydrophobicContact CB-CB 4.4Å; A1193-A1195 PolarHBondContact O-N 3.02Å; A1193-A1195 VanDerWaalsContact O-N 3.07Å; A1195-M1198 HydrophobicContact CB-SD 4.48Å; A1195-M1198 WeakPolarHBondContact O-CB 3.42Å; A1195-M1198 PolarHBondContact O-N 2.94Å; A1195-W1199 PolarHBondContact O-N 2.85Å | ||
| 1196 | L | 92.1 | Very high | 90.5 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.8 | -48.2 | -172.9 | -179.8 | 63 | 0 | 0 | 0 | 114.3 | L1117 I1187 C1190 L1191 W1199 L1200 L1238 | L1117-L1196 HydrophobicContact CD2-CD1 4.31Å; L1117-L1196 HydrophobicContact CD2-CD2 4.16Å; I1187-L1196 HydrophobicContact CD1-CD1 3.71Å; I1187-L1196 HydrophobicContact CG2-CD1 4.39Å; I1187-L1196 HydrophobicContact CG2-CD2 4.39Å; C1190-L1196 HydrophobicContact CB-CB 4.07Å; C1190-L1196 HydrophobicContact CB-CD1 4.29Å; C1190-L1196 PolarHBondContact O-N 3.47Å; L1191-L1196 HydrophobicContact CD2-CD2 3.83Å; L1191-L1196 HydrophobicContact CG-CD2 4.25Å; L1196-W1199 HydrophobicContact CD1-CE3 4.2Å; L1196-L1200 PolarHBondContact O-N 3.41Å; L1196-L1238 HydrophobicContact CD2-CD2 4.14Å |
| 1197 | P | 91.5 | Very high | 90.3 | Very high | 6 Ų | 6 | 23.4 Ų | 23.4 | 4% | 0.039 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.8 | -35.4 | 173.3 | -22.5 | 35.9 | 0 | 0 | 0 | 113 | W1199 L1200 N1201 M1235 L1238 E1239 L1242 | P1197-W1199 PolarHBondContact O-N 3.25Å; P1197-L1200 PolarHBondContact O-N 3.22Å; P1197-N1201 WeakPolarHBondContact O-CB 3.29Å; P1197-N1201 PolarHBondContact O-N 3.34Å; P1197-N1201 PolarHBondContact O-ND2 2.91Å; P1197-M1235 HydrophobicContact CB-SD 4.11Å; P1197-L1238 HydrophobicContact CG-CB 4.07Å; P1197-E1239 HydrophobicContact CB-CG 4.37Å; P1197-E1239 HydrophobicContact CG-CG 4.08Å; P1197-L1242 HydrophobicContact CG-CD1 3.98Å; P1197-L1242 HydrophobicContact CG-CD2 4.48Å; P1197-L1242 HydrophobicContact CG-CG 4.35Å |
| 1198 | M | 90.3 | Very high | 90.1 | Very high | 85 Ų | 85 | 28.7 Ų | 28.7 | 42% | 0.419 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59.3 | -46.6 | 176.3 | 178.7 | -166.5 | -69.8 | 0 | 0 | 111.4 | A1159 A1195 A1202 | A1159-M1198 HydrophobicContact CB-CG 4.27Å; A1159-M1198 HydrophobicContact CB-SD 3.55Å; A1159-M1198 VanDerWaalsContact CB-SD 3.55Å; A1195-M1198 HydrophobicContact CB-SD 4.48Å; A1195-M1198 WeakPolarHBondContact O-CB 3.42Å; A1195-M1198 PolarHBondContact O-N 2.94Å; M1198-A1202 WeakPolarHBondContact O-CB 3.39Å; M1198-A1202 PolarHBondContact O-N 3.08Å |
| 1199 | W | 92.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.6 | -45.7 | 175.1 | 174.3 | 63.5 | 0 | 0 | 0 | 112.4 | L1121 V1145 S1148 L1163 F1183 F1186 I1187 A1195 L1196 P1197 A1202 L1203 | L1121-W1199 HydrophobicContact CD1-CH2 4Å; L1121-W1199 HydrophobicContact CD1-CZ3 3.87Å; L1121-W1199 HydrophobicContact CD2-CH2 4.48Å; V1145-W1199 HydrophobicContact CG2-CH2 4.37Å; V1145-W1199 HydrophobicContact CG2-CZ2 3.79Å; S1148-W1199 PolarHBondContact OG-NE1 2.89Å; L1163-W1199 HydrophobicContact CD1-CB 4.36Å; L1163-W1199 HydrophobicContact CD2-CB 3.75Å; L1163-W1199 HydrophobicContact CD2-CG 4.37Å; F1183-W1199 AromaticContact CE2-CH2 3.99Å; F1183-W1199 HydrophobicContact CE2-CH2 3.99Å; F1183-W1199 HydrophobicContact CZ-CH2 4.49Å; F1186-W1199 AromaticContact CE1-CD2 3.69Å; F1186-W1199 HydrophobicContact CE1-CD2 3.69Å; F1186-W1199 AromaticContact CE1-CE2 3.61Å; F1186-W1199 HydrophobicContact CE1-CE3 4.09Å; F1186-W1199 HydrophobicContact CE1-CG 4.12Å; F1186-W1199 HydrophobicContact CE1-CH2 4.35Å; F1186-W1199 AromaticContact CE1-CZ2 3.97Å; F1186-W1199 HydrophobicContact CE1-CZ2 3.97Å; F1186-W1199 HydrophobicContact CE1-CZ3 4.4Å; F1186-W1199 AromaticContact CE1-NE1 3.92Å; F1186-W1199 AromaticContact CZ-CD1 3.78Å; F1186-W1199 AromaticContact CZ-CD2 4Å; F1186-W1199 HydrophobicContact CZ-CD2 4Å; F1186-W1199 AromaticContact CZ-CE2 3.95Å; F1186-W1199 AromaticContact CZ-CG 3.92Å; F1186-W1199 HydrophobicContact CZ-CG 3.92Å; F1186-W1199 AromaticContact CZ-NE1 3.78Å; I1187-W1199 HydrophobicContact CD1-CZ3 4.03Å; A1195-W1199 PolarHBondContact O-N 2.85Å; L1196-W1199 HydrophobicContact CD1-CE3 4.2Å; P1197-W1199 PolarHBondContact O-N 3.25Å; W1199-A1202 PolarHBondContact O-N 2.91Å; W1199-L1203 HydrophobicContact CH2-CD2 4.05Å; W1199-L1203 HydrophobicContact CZ2-CD2 3.92Å; W1199-L1203 WeakPolarHBondContact O-CB 3.37Å; W1199-L1203 PolarHBondContact O-N 3.31Å |
| 1200 | L | 92.2 | Very high | 90.1 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.6 | -40.9 | -175.6 | -156.9 | 155.5 | 0 | 0 | 0 | 111.3 | L1117 L1196 P1197 A1202 L1203 V1204 H1231 M1235 L1238 | L1117-L1200 HydrophobicContact CD1-CD1 4.33Å; L1196-L1200 PolarHBondContact O-N 3.41Å; P1197-L1200 PolarHBondContact O-N 3.22Å; L1200-A1202 PolarHBondContact O-N 3.36Å; L1200-L1203 WeakPolarHBondContact O-CB 3.42Å; L1200-L1203 PolarHBondContact O-N 3.32Å; L1200-V1204 HydrophobicContact CD2-CG2 3.82Å; L1200-V1204 WeakPolarHBondContact O-CG2 3.34Å; L1200-V1204 PolarHBondContact O-N 2.89Å; L1200-H1231 WeakPolarHBondContact CD2-NE2 3.43Å; L1200-M1235 HydrophobicContact CB-CE 4.28Å; L1200-M1235 HydrophobicContact CD1-CE 4.03Å; L1200-M1235 HydrophobicContact CD2-CE 3.66Å; L1200-M1235 HydrophobicContact CD2-SD 4.48Å; L1200-M1235 HydrophobicContact CG-CE 4.18Å; L1200-L1238 HydrophobicContact CD1-CD1 4.29Å |
| 1201 | N | 90.1 | Very high | 89.9 | Confident | 70 Ų | 70 | 37.3 Ų | 37.3 | 37% | 0.374 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.8 | -45.4 | 170.6 | -79.4 | -44.2 | 0 | 0 | 0 | 112.1 | P1197 L1203 V1204 A1205 H1231 | P1197-N1201 WeakPolarHBondContact O-CB 3.29Å; P1197-N1201 PolarHBondContact O-N 3.34Å; P1197-N1201 PolarHBondContact O-ND2 2.91Å; N1201-L1203 VanDerWaalsContact C-N 3.32Å; N1201-L1203 PolarHBondContact O-N 3.37Å; N1201-V1204 PolarHBondContact O-N 3.43Å; N1201-A1205 WeakPolarHBondContact O-CB 3.1Å; N1201-A1205 PolarHBondContact O-N 3.46Å; N1201-H1231 PolarHBondContact OD1-CE1 2.93Å |
| 1202 | A | 89.1 | Confident | 89.8 | Confident | 17 Ų | 17 | 43.5 Ų | 43.5 | 14% | 0.14 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.1 | -34 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | M1198 W1199 L1200 | M1198-A1202 WeakPolarHBondContact O-CB 3.39Å; M1198-A1202 PolarHBondContact O-N 3.08Å; W1199-A1202 PolarHBondContact O-N 2.91Å; L1200-A1202 PolarHBondContact O-N 3.36Å |
| 1203 | L | 90.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.1 | -48.2 | 173.7 | 178.4 | 67.8 | 0 | 0 | 0 | 111.7 | L1121 L1144 W1199 L1200 N1201 A1205 N1206 L1209 L1210 I1220 | L1121-L1203 HydrophobicContact CD2-CD2 4.07Å; L1144-L1203 HydrophobicContact CD1-CD1 4.25Å; L1144-L1203 HydrophobicContact CD2-CD1 4.14Å; L1144-L1203 HydrophobicContact CD2-CD2 4.14Å; L1144-L1203 HydrophobicContact CG-CD1 4.08Å; W1199-L1203 HydrophobicContact CH2-CD2 4.05Å; W1199-L1203 HydrophobicContact CZ2-CD2 3.92Å; W1199-L1203 WeakPolarHBondContact O-CB 3.37Å; W1199-L1203 PolarHBondContact O-N 3.31Å; L1200-L1203 WeakPolarHBondContact O-CB 3.42Å; L1200-L1203 PolarHBondContact O-N 3.32Å; N1201-L1203 VanDerWaalsContact C-N 3.32Å; N1201-L1203 PolarHBondContact O-N 3.37Å; L1203-A1205 VanDerWaalsContact C-N 3.31Å; L1203-A1205 PolarHBondContact O-N 3Å; L1203-N1206 PolarHBondContact O-N 3.15Å; L1203-L1209 HydrophobicContact CD1-CD2 3.74Å; L1203-L1210 HydrophobicContact CD1-CD2 4.32Å; L1203-L1210 HydrophobicContact CG-CD2 4.36Å; L1203-I1220 HydrophobicContact CD2-CG2 4.48Å; L1203-I1220 HydrophobicContact CG-CG2 4.46Å |
| 1204 | V | 90.7 | Very high | 89.7 | Confident | 11 Ų | 11 | 39.7 Ų | 39.7 | 7% | 0.067 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.6 | -36.3 | 179.3 | 167 | 0 | 0 | 0 | 0 | 111.5 | L1200 N1201 N1206 L1210 I1220 C1223 R1224 | L1200-V1204 HydrophobicContact CD2-CG2 3.82Å; L1200-V1204 WeakPolarHBondContact O-CG2 3.34Å; L1200-V1204 PolarHBondContact O-N 2.89Å; N1201-V1204 PolarHBondContact O-N 3.43Å; V1204-N1206 VanDerWaalsContact C-N 3.31Å; V1204-N1206 PolarHBondContact O-N 2.95Å; V1204-L1210 WeakPolarHBondContact O-CD1 3.43Å; V1204-I1220 HydrophobicContact CG2-CG2 3.87Å; V1204-C1223 HydrophobicContact CG1-CB 3.93Å; V1204-C1223 HydrophobicContact CG2-CB 4.23Å; V1204-R1224 HydrophobicContact CG1-CG 3.87Å; V1204-R1224 WeakPolarHBondContact O-CD 3.29Å |
| 1205 | A | 88.5 | Confident | 89.6 | Confident | 33 Ų | 33 | 38.2 Ų | 38.2 | 27% | 0.273 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -75.4 | -12.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1154 N1201 L1203 D1207 R1224 | L1154-A1205 HydrophobicContact CD2-CB 3.32Å; N1201-A1205 WeakPolarHBondContact O-CB 3.1Å; N1201-A1205 PolarHBondContact O-N 3.46Å; L1203-A1205 VanDerWaalsContact C-N 3.31Å; L1203-A1205 PolarHBondContact O-N 3Å; A1205-D1207 PolarHBondContact O-N 3.2Å; A1205-R1224 VanDerWaalsContact C-NH1 3.3Å; A1205-R1224 PolarHBondContact O-NH1 2.87Å |
| 1206 | N | 87.7 | Confident | 89.3 | Confident | 22 Ų | 22 | 44.4 Ų | 44.4 | 12% | 0.118 | 22% | 0.224 | C | C | . | . | trans | -95.5 | 79.2 | -178.5 | -170.5 | -14.1 | 0 | 0 | 0 | 113.4 | L1203 V1204 T1208 L1209 L1210 | L1203-N1206 PolarHBondContact O-N 3.15Å; V1204-N1206 VanDerWaalsContact C-N 3.31Å; V1204-N1206 PolarHBondContact O-N 2.95Å; N1206-T1208 PolarHBondContact O-N 3.22Å; N1206-T1208 VanDerWaalsContact O-N 3.13Å; N1206-T1208 PolarHBondContact OD1-N 3.15Å; N1206-T1208 PolarHBondContact OD1-OG1 3.2Å; N1206-L1209 HydrophobicContact CB-CB 4.18Å; N1206-L1209 PolarHBondContact O-N 2.95Å; N1206-L1209 VanDerWaalsContact O-N 3.13Å; N1206-L1209 PolarHBondContact OD1-N 2.97Å; N1206-L1210 WeakPolarHBondContact O-CG 3.36Å; N1206-L1210 PolarHBondContact O-N 3.43Å | ||
| 1207 | D | 87.5 | Confident | 89 | Confident | 65 Ų | 65 | 48.8 Ų | 48.8 | 35% | 0.348 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -55.3 | -32.7 | -179.7 | -76.7 | -10.4 | 0 | 0 | 0 | 114.3 | A1205 L1209 L1210 R1211 R1224 | A1205-D1207 PolarHBondContact O-N 3.2Å; D1207-L1209 VanDerWaalsContact C-N 3.35Å; D1207-L1210 PolarHBondContact O-N 2.65Å; D1207-R1211 WeakPolarHBondContact O-CB 3.25Å; D1207-R1211 VanDerWaalsContact O-CG 3.25Å; D1207-R1211 WeakPolarHBondContact O-CG 3.29Å; D1207-R1211 PolarHBondContact O-N 2.77Å; D1207-R1224 WeakPolarHBondContact OD1-CD 3.45Å; D1207-R1224 IonicContact OD1-CZ 3.69Å; D1207-R1224 IonicContact OD1-NE 2.76Å; D1207-R1224 IonicContact OD1-NH1 3.96Å; D1207-R1224 PolarHBondContact OD1-NH1 3.02Å; D1207-R1224 IonicContact OD2-CZ 3.97Å; D1207-R1224 IonicContact OD2-NH1 2.61Å; D1207-R1224 PolarHBondContact OD2-NH1 2.91Å |
| 1208 | T | 88.3 | Confident | 88.9 | Confident | 112 Ų | 112 | 48.5 Ų | 48.5 | 69% | 0.687 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -67.1 | -39.5 | -178.4 | 74.1 | 0 | 0 | 0 | 0 | 111.4 | N1206 R1212 | N1206-T1208 PolarHBondContact O-N 3.22Å; N1206-T1208 VanDerWaalsContact O-N 3.13Å; N1206-T1208 PolarHBondContact OD1-N 3.15Å; N1206-T1208 PolarHBondContact OD1-OG1 3.2Å; T1208-R1212 PolarHBondContact O-N 3.15Å |
| 1209 | L | 89.1 | Confident | 88.9 | Confident | 9 Ų | 9 | 44.5 Ų | 44.5 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -72.2 | -45.9 | 175.1 | -172.1 | 161.1 | 0 | 0 | 0 | 110 | L1144 E1147 S1148 L1203 N1206 D1207 R1211 R1212 F1213 | L1144-L1209 HydrophobicContact CD1-CD2 3.39Å; L1144-L1209 HydrophobicContact CG-CD2 4.16Å; E1147-L1209 HydrophobicContact CB-CD1 4.06Å; S1148-L1209 VanDerWaalsContact CA-CD1 3.45Å; L1203-L1209 HydrophobicContact CD1-CD2 3.74Å; N1206-L1209 HydrophobicContact CB-CB 4.18Å; N1206-L1209 PolarHBondContact O-N 2.95Å; N1206-L1209 VanDerWaalsContact O-N 3.13Å; N1206-L1209 PolarHBondContact OD1-N 2.97Å; D1207-L1209 VanDerWaalsContact C-N 3.35Å; L1209-R1211 PolarHBondContact O-N 2.94Å; L1209-R1212 WeakPolarHBondContact O-CB 3.5Å; L1209-R1212 PolarHBondContact O-N 3.29Å; L1209-F1213 HydrophobicContact CD2-CD2 3.9Å; L1209-F1213 HydrophobicContact CG-CD2 4.05Å; L1209-F1213 HydrophobicContact CG-CE2 4.32Å; L1209-F1213 WeakPolarHBondContact O-CD2 3.17Å; L1209-F1213 PolarHBondContact O-N 3.24Å; L1209-F1213 VanDerWaalsContact O-N 3.15Å |
| 1210 | L | 90.2 | Very high | 88.8 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.1 | -44.6 | 179.1 | -64.3 | -174.5 | 0 | 0 | 0 | 112.6 | L1203 V1204 N1206 D1207 R1212 F1213 Y1214 I1220 R1221 | L1203-L1210 HydrophobicContact CD1-CD2 4.32Å; L1203-L1210 HydrophobicContact CG-CD2 4.36Å; V1204-L1210 WeakPolarHBondContact O-CD1 3.43Å; N1206-L1210 WeakPolarHBondContact O-CG 3.36Å; N1206-L1210 PolarHBondContact O-N 3.43Å; D1207-L1210 PolarHBondContact O-N 2.65Å; L1210-R1212 PolarHBondContact O-N 3.44Å; L1210-F1213 PolarHBondContact O-N 3.24Å; L1210-Y1214 HydrophobicContact CD2-CD2 3.81Å; L1210-Y1214 HydrophobicContact CD2-CE2 4.03Å; L1210-Y1214 PolarHBondContact O-N 2.85Å; L1210-I1220 HydrophobicContact CD1-CG2 4.18Å; L1210-I1220 HydrophobicContact CD2-CG2 3.49Å; L1210-I1220 VanDerWaalsContact CD2-CG2 3.49Å; L1210-I1220 HydrophobicContact CG-CG2 4.5Å; L1210-R1221 HydrophobicContact CB-CG 4Å; L1210-R1221 HydrophobicContact CD1-CG 4.36Å |
| 1211 | R | 87 | Confident | 88.7 | Confident | 171 Ų | 171 | 47.1 Ų | 47.1 | 65% | 0.645 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -62.3 | -23.4 | 175.8 | -71.8 | 174.3 | -171.7 | -134.8 | 5.8 | 113.7 | D1207 L1209 | D1207-R1211 WeakPolarHBondContact O-CB 3.25Å; D1207-R1211 VanDerWaalsContact O-CG 3.25Å; D1207-R1211 WeakPolarHBondContact O-CG 3.29Å; D1207-R1211 PolarHBondContact O-N 2.77Å; L1209-R1211 PolarHBondContact O-N 2.94Å |
| 1212 | R | 87.5 | Confident | 88.6 | Confident | 133 Ų | 133 | 44.8 Ų | 44.8 | 50% | 0.502 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -86.7 | -25.3 | 179.9 | -174.2 | 177.2 | 177.6 | -149.4 | -1.2 | 113.2 | R1140 E1147 T1208 L1209 L1210 | R1140-R1212 PolarHBondContact NH1-O 2.92Å; E1147-R1212 IonicContact OE2-CZ 2.71Å; E1147-R1212 IonicContact OE2-NH1 3.57Å; E1147-R1212 PolarHBondContact OE2-NH1 3.27Å; E1147-R1212 IonicContact OE2-NH2 3.44Å; T1208-R1212 PolarHBondContact O-N 3.15Å; L1209-R1212 WeakPolarHBondContact O-CB 3.5Å; L1209-R1212 PolarHBondContact O-N 3.29Å; L1210-R1212 PolarHBondContact O-N 3.44Å |
| 1213 | F | 87.4 | Confident | 88.5 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -117.3 | -22 | -171.5 | -76.6 | -83.3 | 0 | 0 | 0 | 115.4 | L1125 L1126 R1140 Q1143 L1144 E1147 L1209 L1210 | L1125-F1213 HydrophobicContact CD1-CB 4.37Å; L1126-F1213 WeakPolarHBondContact CB-O 3.34Å; L1126-F1213 PolarHBondContact N-O 3.26Å; R1140-F1213 HydrophobicContact CB-CD1 3.93Å; R1140-F1213 HydrophobicContact CB-CE1 4.05Å; R1140-F1213 HydrophobicContact CG-CD1 4.37Å; R1140-F1213 HydrophobicContact CG-CE1 4.25Å; Q1143-F1213 HydrophobicContact CB-CE1 4.14Å; Q1143-F1213 HydrophobicContact CB-CZ 4.42Å; Q1143-F1213 HydrophobicContact CG-CE1 4.11Å; Q1143-F1213 HydrophobicContact CG-CZ 3.97Å; L1144-F1213 HydrophobicContact CB-CD1 4.32Å; L1144-F1213 HydrophobicContact CD1-CB 3.39Å; L1144-F1213 HydrophobicContact CD1-CD1 4.07Å; L1144-F1213 HydrophobicContact CD1-CD2 3.93Å; L1144-F1213 HydrophobicContact CD1-CG 3.55Å; E1147-F1213 HydrophobicContact CB-CE2 4.3Å; E1147-F1213 HydrophobicContact CG-CE2 4.03Å; E1147-F1213 HydrophobicContact CG-CZ 3.91Å; L1209-F1213 HydrophobicContact CD2-CD2 3.9Å; L1209-F1213 HydrophobicContact CG-CD2 4.05Å; L1209-F1213 HydrophobicContact CG-CE2 4.32Å; L1209-F1213 WeakPolarHBondContact O-CD2 3.17Å; L1209-F1213 PolarHBondContact O-N 3.24Å; L1209-F1213 VanDerWaalsContact O-N 3.15Å; L1210-F1213 PolarHBondContact O-N 3.24Å |
| 1214 | Y | 90.8 | Very high | 88.2 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -124.3 | 145.2 | -175.4 | -72.6 | -81.1 | 0 | 0 | 0 | 113.6 | L1121 D1123 G1124 L1125 L1144 L1210 A1218 I1220 | L1121-Y1214 WeakPolarHBondContact O-CE1 3.31Å; L1121-Y1214 PolarHBondContact O-OH 2.77Å; D1123-Y1214 WeakPolarHBondContact O-CD1 3.47Å; D1123-Y1214 WeakPolarHBondContact O-CE1 3.28Å; G1124-Y1214 WeakPolarHBondContact O-CA 3.45Å; L1125-Y1214 HydrophobicContact CB-CD1 4.27Å; L1125-Y1214 HydrophobicContact CB-CE1 3.99Å; L1125-Y1214 HydrophobicContact CD1-CD1 4.19Å; L1125-Y1214 HydrophobicContact CD1-CE1 3.75Å; L1125-Y1214 HydrophobicContact CD1-CE2 4.2Å; L1144-Y1214 HydrophobicContact CD1-CD2 4.23Å; L1144-Y1214 HydrophobicContact CD1-CE2 3.58Å; L1144-Y1214 HydrophobicContact CD2-CE2 3.94Å; L1144-Y1214 WeakPolarHBondContact CD2-OH 3.5Å; L1144-Y1214 HydrophobicContact CG-CE2 4.44Å; L1210-Y1214 HydrophobicContact CD2-CD2 3.81Å; L1210-Y1214 HydrophobicContact CD2-CE2 4.03Å; L1210-Y1214 PolarHBondContact O-N 2.85Å; Y1214-A1218 HydrophobicContact CD1-CB 3.8Å; Y1214-A1218 HydrophobicContact CG-CB 4.22Å; Y1214-I1220 HydrophobicContact CE2-CB 4.48Å; Y1214-I1220 HydrophobicContact CE2-CG2 4.47Å |
| 1215 | C | 87.5 | Confident | 87.7 | Confident | 57 Ų | 57 | 51.6 Ų | 51.6 | 39% | 0.385 | 26% | 0.259 | S | S | . | . | trans | -60.2 | 153.7 | 166.2 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | G1124 L1126 N1217 A1218 R1221 | G1124-C1215 PolarHBondContact O-N 3.44Å; G1124-C1215 PolarHBondContact O-SG 3.07Å; L1126-C1215 VanDerWaalsContact CD2-SG 3.53Å; C1215-N1217 VanDerWaalsContact C-N 3.28Å; C1215-N1217 PolarHBondContact O-N 3.14Å; C1215-A1218 VanDerWaalsContact O-CB 3.23Å; C1215-A1218 WeakPolarHBondContact O-CB 3.3Å; C1215-A1218 PolarHBondContact O-N 2.92Å; C1215-A1218 VanDerWaalsContact O-N 3.08Å; C1215-R1221 WeakPolarHBondContact O-CD 3.45Å | ||
| 1216 | E | 85 | Confident | 87.3 | Confident | 130 Ų | 130 | 52.7 Ų | 52.7 | 61% | 0.607 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -44.8 | 178.7 | -161.2 | 106.9 | -94 | 0 | 0 | 113.2 | A1218 R1221 | E1216-A1218 VanDerWaalsContact C-N 3.28Å; E1216-A1218 PolarHBondContact O-N 3.08Å; E1216-R1221 IonicContact OE1-CZ 3.24Å; E1216-R1221 IonicContact OE1-NH1 3.37Å; E1216-R1221 PolarHBondContact OE1-NH1 3.32Å; E1216-R1221 IonicContact OE1-NH2 3.35Å; E1216-R1221 PolarHBondContact OE1-NH2 3.16Å |
| 1217 | N | 84.9 | Confident | 87.2 | Confident | 94 Ų | 94 | 52.2 Ų | 52.2 | 50% | 0.503 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 0.5 | -175.9 | -59.2 | 7.3 | 0 | 0 | 0 | 113.6 | Y1052 C1215 Q1222 | Y1052-N1217 PolarHBondContact OH-O 3.47Å; C1215-N1217 VanDerWaalsContact C-N 3.28Å; C1215-N1217 PolarHBondContact O-N 3.14Å; N1217-Q1222 PolarHBondContact O-NE2 2.98Å |
| 1218 | A | 89.4 | Confident | 87.1 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | trans | -65.6 | 143.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1214 C1215 E1216 I1220 R1221 Q1222 | Y1214-A1218 HydrophobicContact CD1-CB 3.8Å; Y1214-A1218 HydrophobicContact CG-CB 4.22Å; C1215-A1218 VanDerWaalsContact O-CB 3.23Å; C1215-A1218 WeakPolarHBondContact O-CB 3.3Å; C1215-A1218 PolarHBondContact O-N 2.92Å; C1215-A1218 VanDerWaalsContact O-N 3.08Å; E1216-A1218 VanDerWaalsContact C-N 3.28Å; E1216-A1218 PolarHBondContact O-N 3.08Å; A1218-I1220 VanDerWaalsContact C-N 3.31Å; A1218-I1220 PolarHBondContact O-N 3.06Å; A1218-I1220 VanDerWaalsContact O-N 3.16Å; A1218-R1221 PolarHBondContact O-N 3.23Å; A1218-Q1222 PolarHBondContact O-N 2.93Å | ||
| 1219 | F | 91 | Very high | 87.1 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -44.8 | -52.5 | -179.2 | -178.8 | -112.9 | 0 | 0 | 0 | 113.3 | Y1052 V1056 L1120 R1221 Q1222 C1223 Q1227 L1230 L1234 | Y1052-F1219 HydrophobicContact CD1-CB 3.77Å; Y1052-F1219 AromaticContact CD1-CD2 3.61Å; Y1052-F1219 HydrophobicContact CD1-CD2 3.61Å; Y1052-F1219 HydrophobicContact CD1-CG 4.02Å; Y1052-F1219 HydrophobicContact CD2-CD2 4.32Å; Y1052-F1219 HydrophobicContact CE1-CB 3.52Å; Y1052-F1219 HydrophobicContact CE1-CD2 4.24Å; Y1052-F1219 HydrophobicContact CE1-CG 4.29Å; Y1052-F1219 AromaticContact CG-CD2 3.72Å; Y1052-F1219 HydrophobicContact CG-CD2 3.72Å; Y1052-F1219 PolarHBondContact OH-N 2.99Å; V1056-F1219 HydrophobicContact CG2-CE1 4.25Å; V1056-F1219 HydrophobicContact CG2-CE2 3.7Å; V1056-F1219 HydrophobicContact CG2-CZ 3.5Å; V1056-F1219 VanDerWaalsContact CG2-CZ 3.5Å; L1120-F1219 HydrophobicContact CD1-CB 4.31Å; L1120-F1219 HydrophobicContact CD1-CD1 3.58Å; L1120-F1219 HydrophobicContact CD1-CD2 4.29Å; L1120-F1219 HydrophobicContact CD1-CE1 3.93Å; L1120-F1219 HydrophobicContact CD1-CG 3.78Å; L1120-F1219 HydrophobicContact CD1-CZ 4.42Å; L1120-F1219 HydrophobicContact CD2-CD1 4.08Å; L1120-F1219 HydrophobicContact CD2-CE1 3.78Å; L1120-F1219 HydrophobicContact CD2-CZ 4.46Å; L1120-F1219 HydrophobicContact CG-CD1 3.71Å; L1120-F1219 HydrophobicContact CG-CE1 3.96Å; L1120-F1219 HydrophobicContact CG-CG 4.4Å; F1219-R1221 PolarHBondContact O-N 3.38Å; F1219-Q1222 CarbonylContact O-C 3.6Å; F1219-Q1222 WeakPolarHBondContact O-CA 3.26Å; F1219-Q1222 PolarHBondContact O-N 3.19Å; F1219-C1223 VanDerWaalsContact CE1-SG 3.55Å; F1219-C1223 PolarHBondContact O-N 3.35Å; F1219-C1223 PolarHBondContact O-SG 3.04Å; F1219-Q1227 HydrophobicContact CE2-CB 4.4Å; F1219-L1230 HydrophobicContact CE2-CB 4.19Å; F1219-L1230 HydrophobicContact CE2-CD1 4.38Å; F1219-L1230 HydrophobicContact CZ-CB 4.48Å; F1219-L1234 HydrophobicContact CE1-CD2 3.95Å; F1219-L1234 HydrophobicContact CZ-CD2 4.34Å |
| 1220 | I | 90.8 | Very high | 87.1 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.5 | -27.7 | -176.1 | -55.4 | -62.5 | 0 | 0 | 0 | 112.4 | L1121 L1203 V1204 L1210 Y1214 A1218 | L1121-I1220 HydrophobicContact CD2-CD1 3.6Å; L1121-I1220 HydrophobicContact CD2-CG1 4.02Å; L1203-I1220 HydrophobicContact CD2-CG2 4.48Å; L1203-I1220 HydrophobicContact CG-CG2 4.46Å; V1204-I1220 HydrophobicContact CG2-CG2 3.87Å; L1210-I1220 HydrophobicContact CD1-CG2 4.18Å; L1210-I1220 HydrophobicContact CD2-CG2 3.49Å; L1210-I1220 VanDerWaalsContact CD2-CG2 3.49Å; L1210-I1220 HydrophobicContact CG-CG2 4.5Å; Y1214-I1220 HydrophobicContact CE2-CB 4.48Å; Y1214-I1220 HydrophobicContact CE2-CG2 4.47Å; A1218-I1220 VanDerWaalsContact C-N 3.31Å; A1218-I1220 PolarHBondContact O-N 3.06Å; A1218-I1220 VanDerWaalsContact O-N 3.16Å |
| 1221 | R | 89.6 | Confident | 87.2 | Confident | 57 Ų | 57 | 54.1 Ų | 54.1 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -79 | -35.6 | 170.9 | -71.2 | -159.6 | 63.3 | -152.9 | -20 | 112.3 | L1210 C1215 E1216 A1218 F1219 C1223 | L1210-R1221 HydrophobicContact CB-CG 4Å; L1210-R1221 HydrophobicContact CD1-CG 4.36Å; C1215-R1221 WeakPolarHBondContact O-CD 3.45Å; E1216-R1221 IonicContact OE1-CZ 3.24Å; E1216-R1221 IonicContact OE1-NH1 3.37Å; E1216-R1221 PolarHBondContact OE1-NH1 3.32Å; E1216-R1221 IonicContact OE1-NH2 3.35Å; E1216-R1221 PolarHBondContact OE1-NH2 3.16Å; A1218-R1221 PolarHBondContact O-N 3.23Å; F1219-R1221 PolarHBondContact O-N 3.38Å; R1221-C1223 VanDerWaalsContact C-N 3.31Å; R1221-C1223 PolarHBondContact O-N 3.35Å |
| 1222 | Q | 87.6 | Confident | 87.4 | Confident | 21 Ų | 21 | 48 Ų | 48 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.9 | -23.1 | 176.3 | -64.2 | -155.4 | 46.1 | 0 | 0 | 113.6 | N1217 A1218 F1219 R1224 A1225 S1226 Q1227 | N1217-Q1222 PolarHBondContact O-NE2 2.98Å; A1218-Q1222 PolarHBondContact O-N 2.93Å; F1219-Q1222 CarbonylContact O-C 3.6Å; F1219-Q1222 WeakPolarHBondContact O-CA 3.26Å; F1219-Q1222 PolarHBondContact O-N 3.19Å; Q1222-R1224 PolarHBondContact O-N 3.21Å; Q1222-A1225 CarbonylContact O-C 3.59Å; Q1222-A1225 PolarHBondContact O-N 2.91Å; Q1222-S1226 PolarHBondContact O-N 3.38Å; Q1222-S1226 PolarHBondContact OE1-OG 2.92Å; Q1222-Q1227 HydrophobicContact CB-CB 3.91Å; Q1222-Q1227 HydrophobicContact CB-CG 3.91Å; Q1222-Q1227 PolarHBondContact O-N 3.31Å |
| 1223 | C | 88.2 | Confident | 87.6 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.034 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -24.4 | 176.6 | -69.2 | 0 | 0 | 0 | 0 | 114.1 | V1204 F1219 R1221 R1228 H1231 | V1204-C1223 HydrophobicContact CG1-CB 3.93Å; V1204-C1223 HydrophobicContact CG2-CB 4.23Å; F1219-C1223 VanDerWaalsContact CE1-SG 3.55Å; F1219-C1223 PolarHBondContact O-N 3.35Å; F1219-C1223 PolarHBondContact O-SG 3.04Å; R1221-C1223 VanDerWaalsContact C-N 3.31Å; R1221-C1223 PolarHBondContact O-N 3.35Å; C1223-R1228 VanDerWaalsContact O-CG 3.29Å; C1223-R1228 WeakPolarHBondContact O-CG 3.44Å; C1223-H1231 HydrophobicContact CB-CB 3.99Å; C1223-H1231 VanDerWaalsContact SG-CD2 3.59Å |
| 1224 | R | 82.8 | Confident | 87.9 | Confident | 98 Ų | 98 | 45.5 Ų | 45.5 | 37% | 0.37 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -9.2 | 175.1 | -57.1 | -168.9 | 81.1 | 147.5 | 9.3 | 114.4 | V1204 A1205 D1207 Q1222 R1228 | V1204-R1224 HydrophobicContact CG1-CG 3.87Å; V1204-R1224 WeakPolarHBondContact O-CD 3.29Å; A1205-R1224 VanDerWaalsContact C-NH1 3.3Å; A1205-R1224 PolarHBondContact O-NH1 2.87Å; D1207-R1224 WeakPolarHBondContact OD1-CD 3.45Å; D1207-R1224 IonicContact OD1-CZ 3.69Å; D1207-R1224 IonicContact OD1-NE 2.76Å; D1207-R1224 IonicContact OD1-NH1 3.96Å; D1207-R1224 PolarHBondContact OD1-NH1 3.02Å; D1207-R1224 IonicContact OD2-CZ 3.97Å; D1207-R1224 IonicContact OD2-NH1 2.61Å; D1207-R1224 PolarHBondContact OD2-NH1 2.91Å; Q1222-R1224 PolarHBondContact O-N 3.21Å; R1224-R1228 VanDerWaalsContact O-CZ 3.3Å; R1224-R1228 PolarHBondContact O-NE 3.22Å; R1224-R1228 PolarHBondContact O-NH2 3.32Å |
| 1225 | A | 81.1 | Confident | 88 | Confident | 68 Ų | 68 | 45.9 Ų | 45.9 | 56% | 0.562 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -126 | -100.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q1222 | Q1222-A1225 CarbonylContact O-C 3.59Å; Q1222-A1225 PolarHBondContact O-N 2.91Å |
| 1226 | S | 80.8 | Confident | 88.3 | Confident | 57 Ų | 57 | 46.8 Ų | 46.8 | 40% | 0.399 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -39.9 | 179.8 | 38.3 | 0 | 0 | 0 | 0 | 113.3 | Q1222 R1228 | Q1222-S1226 PolarHBondContact O-N 3.38Å; Q1222-S1226 PolarHBondContact OE1-OG 2.92Å; S1226-R1228 PolarHBondContact O-N 2.97Å |
| 1227 | Q | 84.3 | Confident | 88.6 | Confident | 12 Ų | 12 | 42 Ų | 42 | 6% | 0.056 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 36.3 | -166.4 | -67.4 | -64.1 | -13.4 | 0 | 0 | 113.4 | D1049 Y1052 F1219 Q1222 L1230 H1231 | D1049-Q1227 PolarHBondContact OD1-NE2 2.88Å; Y1052-Q1227 HydrophobicContact CD2-CG 4.46Å; F1219-Q1227 HydrophobicContact CE2-CB 4.4Å; Q1222-Q1227 HydrophobicContact CB-CB 3.91Å; Q1222-Q1227 HydrophobicContact CB-CG 3.91Å; Q1222-Q1227 PolarHBondContact O-N 3.31Å; Q1227-L1230 VanDerWaalsContact OE1-CD1 3.22Å; Q1227-H1231 WeakPolarHBondContact O-CB 3.33Å; Q1227-H1231 PolarHBondContact O-N 3.09Å; Q1227-H1231 VanDerWaalsContact O-N 3.13Å |
| 1228 | R | 86.7 | Confident | 88.9 | Confident | 86 Ų | 86 | 37.6 Ų | 37.6 | 33% | 0.325 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66 | -39 | 176.7 | -72.9 | -176.6 | -174.6 | -165.7 | 9.8 | 113 | V739 G740 C1223 R1224 S1226 H1231 A1232 | V739-R1228 VanDerWaalsContact O-CZ 3.32Å; V739-R1228 PolarHBondContact O-NH1 2.82Å; V739-R1228 PolarHBondContact O-NH2 2.75Å; G740-R1228 VanDerWaalsContact C-NH1 3.27Å; G740-R1228 WeakPolarHBondContact O-CD 3.34Å; G740-R1228 PolarHBondContact O-NH1 3.24Å; C1223-R1228 VanDerWaalsContact O-CG 3.29Å; C1223-R1228 WeakPolarHBondContact O-CG 3.44Å; R1224-R1228 VanDerWaalsContact O-CZ 3.3Å; R1224-R1228 PolarHBondContact O-NE 3.22Å; R1224-R1228 PolarHBondContact O-NH2 3.32Å; S1226-R1228 PolarHBondContact O-N 2.97Å; R1228-H1231 WeakPolarHBondContact O-CB 3.35Å; R1228-H1231 PolarHBondContact O-N 3.38Å; R1228-A1232 PolarHBondContact O-N 2.87Å |
| 1229 | E | 86.4 | Confident | 89 | Confident | 115 Ų | 115 | 42.3 Ų | 42.3 | 54% | 0.537 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -68.5 | -48.1 | -178.7 | -67.7 | 175.3 | -159.6 | 0 | 0 | 110.9 | G743 H1231 A1232 D1233 | G743-E1229 WeakPolarHBondContact CA-OE1 3.26Å; E1229-H1231 PolarHBondContact O-N 3.38Å; E1229-A1232 PolarHBondContact O-N 3.34Å; E1229-D1233 PolarHBondContact O-N 3.28Å |
| 1230 | L | 90.6 | Very high | 89 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.2 | -32.3 | 171.5 | -84.8 | -168.5 | 0 | 0 | 0 | 113.5 | Y1052 H1053 V1056 F1219 Q1227 L1234 | Y1052-L1230 VanDerWaalsContact C-CD1 3.47Å; H1053-L1230 HydrophobicContact CB-CD1 4.42Å; H1053-L1230 WeakPolarHBondContact ND1-CD2 3.49Å; V1056-L1230 HydrophobicContact CB-CD1 4.48Å; V1056-L1230 HydrophobicContact CB-CD2 4.1Å; V1056-L1230 HydrophobicContact CG1-CD2 4.02Å; V1056-L1230 HydrophobicContact CG2-CB 4.42Å; V1056-L1230 HydrophobicContact CG2-CD1 4.17Å; V1056-L1230 HydrophobicContact CG2-CD2 4.46Å; F1219-L1230 HydrophobicContact CE2-CB 4.19Å; F1219-L1230 HydrophobicContact CE2-CD1 4.38Å; F1219-L1230 HydrophobicContact CZ-CB 4.48Å; Q1227-L1230 VanDerWaalsContact OE1-CD1 3.22Å; L1230-L1234 VanDerWaalsContact O-CB 3.26Å; L1230-L1234 WeakPolarHBondContact O-CB 3.46Å; L1230-L1234 PolarHBondContact O-N 3.18Å |
| 1231 | H | 91.7 | Very high | 88.8 | Confident | 22 Ų | 22 | 45.5 Ų | 45.5 | 10% | 0.102 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.8 | -41.7 | 173.8 | -175.9 | -97.3 | 0 | 0 | 0 | 111.9 | L1200 N1201 C1223 Q1227 R1228 E1229 L1234 M1235 | L1200-H1231 WeakPolarHBondContact CD2-NE2 3.43Å; N1201-H1231 PolarHBondContact OD1-CE1 2.93Å; C1223-H1231 HydrophobicContact CB-CB 3.99Å; C1223-H1231 VanDerWaalsContact SG-CD2 3.59Å; Q1227-H1231 WeakPolarHBondContact O-CB 3.33Å; Q1227-H1231 PolarHBondContact O-N 3.09Å; Q1227-H1231 VanDerWaalsContact O-N 3.13Å; R1228-H1231 WeakPolarHBondContact O-CB 3.35Å; R1228-H1231 PolarHBondContact O-N 3.38Å; E1229-H1231 PolarHBondContact O-N 3.38Å; H1231-L1234 PolarHBondContact O-N 3.22Å; H1231-M1235 WeakPolarHBondContact O-CG 3.32Å; H1231-M1235 PolarHBondContact O-N 3.19Å |
| 1232 | A | 91.7 | Very high | 88.7 | Confident | 41 Ų | 41 | 45 Ų | 45 | 34% | 0.339 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.1 | -42.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1228 E1229 L1234 M1235 T1236 | R1228-A1232 PolarHBondContact O-N 2.87Å; E1229-A1232 PolarHBondContact O-N 3.34Å; A1232-L1234 VanDerWaalsContact C-N 3.32Å; A1232-L1234 PolarHBondContact O-N 2.87Å; A1232-M1235 PolarHBondContact O-N 2.89Å; A1232-T1236 WeakPolarHBondContact O-CB 3.31Å; A1232-T1236 PolarHBondContact O-N 3.3Å; A1232-T1236 PolarHBondContact O-OG1 3.21Å |
| 1233 | D | 92.3 | Very high | 88.6 | Confident | 82 Ų | 82 | 47.6 Ų | 47.6 | 44% | 0.439 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.4 | -40.3 | 174.6 | -75.5 | -21.8 | 0 | 0 | 0 | 111.7 | I1060 E1229 H1237 | I1060-D1233 HydrophobicContact CD1-CB 4.19Å; E1229-D1233 PolarHBondContact O-N 3.28Å; D1233-H1237 PolarHBondContact O-N 3.42Å; D1233-H1237 PolarHBondContact O-ND1 3.27Å |
| 1234 | L | 93.5 | Very high | 88.4 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.9 | -45.1 | 175.3 | 179.8 | 66.7 | 0 | 0 | 0 | 112 | V1056 V1059 L1120 F1219 L1230 H1231 A1232 H1237 L1238 | V1056-L1234 HydrophobicContact CG1-CB 4.14Å; V1056-L1234 HydrophobicContact CG1-CD1 4.44Å; V1059-L1234 HydrophobicContact CB-CD1 4.04Å; V1059-L1234 HydrophobicContact CG1-CD1 3.7Å; L1120-L1234 HydrophobicContact CD2-CD1 4.3Å; L1120-L1234 HydrophobicContact CD2-CD2 3.8Å; F1219-L1234 HydrophobicContact CE1-CD2 3.95Å; F1219-L1234 HydrophobicContact CZ-CD2 4.34Å; L1230-L1234 VanDerWaalsContact O-CB 3.26Å; L1230-L1234 WeakPolarHBondContact O-CB 3.46Å; L1230-L1234 PolarHBondContact O-N 3.18Å; H1231-L1234 PolarHBondContact O-N 3.22Å; A1232-L1234 VanDerWaalsContact C-N 3.32Å; A1232-L1234 PolarHBondContact O-N 2.87Å; L1234-H1237 PolarHBondContact O-N 3.05Å; L1234-L1238 HydrophobicContact CD1-CD1 4.16Å; L1234-L1238 HydrophobicContact CD1-CG 4.37Å; L1234-L1238 HydrophobicContact CG-CD1 4.11Å; L1234-L1238 WeakPolarHBondContact O-CG 3.23Å; L1234-L1238 PolarHBondContact O-N 3.28Å |
| 1235 | M | 92.7 | Very high | 88.2 | Confident | 11 Ų | 11 | 46.8 Ų | 46.8 | 5% | 0.054 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.4 | -49 | 177.5 | -70.2 | -52.8 | 93.7 | 0 | 0 | 111.1 | P1197 L1200 H1231 A1232 H1237 L1238 E1239 | P1197-M1235 HydrophobicContact CB-SD 4.11Å; L1200-M1235 HydrophobicContact CB-CE 4.28Å; L1200-M1235 HydrophobicContact CD1-CE 4.03Å; L1200-M1235 HydrophobicContact CD2-CE 3.66Å; L1200-M1235 HydrophobicContact CD2-SD 4.48Å; L1200-M1235 HydrophobicContact CG-CE 4.18Å; H1231-M1235 WeakPolarHBondContact O-CG 3.32Å; H1231-M1235 PolarHBondContact O-N 3.19Å; A1232-M1235 PolarHBondContact O-N 2.89Å; M1235-H1237 PolarHBondContact O-N 3.15Å; M1235-H1237 VanDerWaalsContact O-N 3.14Å; M1235-L1238 HydrophobicContact CE-CD1 3.91Å; M1235-L1238 PolarHBondContact O-N 2.97Å; M1235-E1239 WeakPolarHBondContact O-CB 3.42Å; M1235-E1239 WeakPolarHBondContact O-CG 3.07Å; M1235-E1239 PolarHBondContact O-N 3.31Å |
| 1236 | T | 92.5 | Very high | 88.3 | Confident | 77 Ų | 77 | 44 Ų | 44 | 47% | 0.472 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -55.1 | -35.7 | 179.7 | -54.4 | 0 | 0 | 0 | 0 | 112.2 | A1232 | A1232-T1236 WeakPolarHBondContact O-CB 3.31Å; A1232-T1236 PolarHBondContact O-N 3.3Å; A1232-T1236 PolarHBondContact O-OG1 3.21Å |
| 1237 | H | 91.8 | Very high | 88.4 | Confident | 30 Ų | 30 | 45.6 Ų | 45.6 | 14% | 0.139 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -78.6 | -44.8 | 174.4 | -74.8 | 91.4 | 0 | 0 | 0 | 112.8 | I1060 V1063 Q1064 D1233 L1234 M1235 E1239 Q1240 | I1060-H1237 HydrophobicContact CG1-CB 4.1Å; V1063-H1237 HydrophobicContact CG1-CB 4.19Å; V1063-H1237 WeakPolarHBondContact CG1-O 3.25Å; Q1064-H1237 PolarHBondContact NE2-NE2 3.28Å; Q1064-H1237 VanDerWaalsContact NE2-NE2 3.11Å; D1233-H1237 PolarHBondContact O-N 3.42Å; D1233-H1237 PolarHBondContact O-ND1 3.27Å; L1234-H1237 PolarHBondContact O-N 3.05Å; M1235-H1237 PolarHBondContact O-N 3.15Å; M1235-H1237 VanDerWaalsContact O-N 3.14Å; H1237-E1239 PolarHBondContact O-N 2.94Å; H1237-Q1240 PolarHBondContact CD2-NE2 3.18Å; H1237-Q1240 VanDerWaalsContact O-CB 3.27Å; H1237-Q1240 WeakPolarHBondContact O-CB 3.45Å; H1237-Q1240 PolarHBondContact O-N 3.09Å |
| 1238 | L | 91.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.8 | -27.3 | 177 | -69.6 | 175.9 | 0 | 0 | 0 | 112.7 | V1059 V1063 V1113 L1196 P1197 L1200 L1234 M1235 Q1240 L1241 | V1059-L1238 HydrophobicContact CG1-CD2 4.43Å; V1063-L1238 HydrophobicContact CG2-CD2 4.08Å; V1113-L1238 HydrophobicContact CG1-CD2 4.49Å; L1196-L1238 HydrophobicContact CD2-CD2 4.14Å; P1197-L1238 HydrophobicContact CG-CB 4.07Å; L1200-L1238 HydrophobicContact CD1-CD1 4.29Å; L1234-L1238 HydrophobicContact CD1-CD1 4.16Å; L1234-L1238 HydrophobicContact CD1-CG 4.37Å; L1234-L1238 HydrophobicContact CG-CD1 4.11Å; L1234-L1238 WeakPolarHBondContact O-CG 3.23Å; L1234-L1238 PolarHBondContact O-N 3.28Å; M1235-L1238 HydrophobicContact CE-CD1 3.91Å; M1235-L1238 PolarHBondContact O-N 2.97Å; L1238-Q1240 VanDerWaalsContact C-N 3.33Å; L1238-L1241 HydrophobicContact CD2-CD1 4.12Å; L1238-L1241 WeakPolarHBondContact O-CB 3.45Å; L1238-L1241 PolarHBondContact O-N 2.98Å |
| 1239 | E | 91.9 | Very high | 88.3 | Confident | 101 Ų | 101 | 44.5 Ų | 44.5 | 47% | 0.472 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.5 | -30.5 | 171.2 | -76.1 | 172.3 | -165.1 | 0 | 0 | 113.3 | P1197 M1235 H1237 L1241 L1242 | P1197-E1239 HydrophobicContact CB-CG 4.37Å; P1197-E1239 HydrophobicContact CG-CG 4.08Å; M1235-E1239 WeakPolarHBondContact O-CB 3.42Å; M1235-E1239 WeakPolarHBondContact O-CG 3.07Å; M1235-E1239 PolarHBondContact O-N 3.31Å; H1237-E1239 PolarHBondContact O-N 2.94Å; E1239-L1241 PolarHBondContact O-N 3.38Å; E1239-L1242 HydrophobicContact CG-CD1 4.5Å; E1239-L1242 VanDerWaalsContact O-CB 3.29Å; E1239-L1242 WeakPolarHBondContact O-CB 3.44Å; E1239-L1242 PolarHBondContact O-N 2.66Å |
| 1240 | Q | 89.9 | Confident | 88.2 | Confident | 68 Ų | 68 | 39.6 Ų | 39.6 | 32% | 0.318 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.6 | -29.7 | 175 | -60.7 | 169 | 12.3 | 0 | 0 | 112 | V1067 H1237 L1238 L1242 A1243 F1244 | V1067-Q1240 HydrophobicContact CG2-CB 3.97Å; H1237-Q1240 PolarHBondContact CD2-NE2 3.18Å; H1237-Q1240 VanDerWaalsContact O-CB 3.27Å; H1237-Q1240 WeakPolarHBondContact O-CB 3.45Å; H1237-Q1240 PolarHBondContact O-N 3.09Å; L1238-Q1240 VanDerWaalsContact C-N 3.33Å; Q1240-L1242 VanDerWaalsContact C-N 3.27Å; Q1240-L1242 PolarHBondContact O-N 2.87Å; Q1240-A1243 WeakPolarHBondContact O-CB 3.19Å; Q1240-A1243 PolarHBondContact O-N 2.94Å; Q1240-F1244 WeakPolarHBondContact O-CE2 3.44Å |
| 1241 | L | 87.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.3 | -32.4 | 173.2 | -60.6 | -179.1 | 0 | 0 | 0 | 111.5 | V1063 T1066 V1067 V1113 L1191 L1238 E1239 A1243 F1244 F1246 | V1063-L1241 HydrophobicContact CG1-CD2 4Å; V1063-L1241 HydrophobicContact CG1-CG 4.09Å; V1063-L1241 HydrophobicContact CG2-CD1 4.16Å; V1063-L1241 HydrophobicContact CG2-CG 4.38Å; T1066-L1241 HydrophobicContact CG2-CD2 3.68Å; V1067-L1241 HydrophobicContact CG2-CD2 4.45Å; V1113-L1241 HydrophobicContact CG1-CD1 4.26Å; L1191-L1241 HydrophobicContact CD2-CB 4.35Å; L1191-L1241 HydrophobicContact CD2-CD1 3.89Å; L1238-L1241 HydrophobicContact CD2-CD1 4.12Å; L1238-L1241 WeakPolarHBondContact O-CB 3.45Å; L1238-L1241 PolarHBondContact O-N 2.98Å; E1239-L1241 PolarHBondContact O-N 3.38Å; L1241-A1243 PolarHBondContact O-N 3.45Å; L1241-A1243 VanDerWaalsContact O-N 3.14Å; L1241-F1244 PolarHBondContact O-N 3.32Å; L1241-F1246 HydrophobicContact CB-CE2 3.91Å; L1241-F1246 HydrophobicContact CB-CZ 4.08Å; L1241-F1246 HydrophobicContact CD2-CZ 4.39Å; L1241-F1246 WeakPolarHBondContact O-CE2 3.09Å; L1241-F1246 WeakPolarHBondContact O-CZ 3.46Å |
| 1242 | L | 86.1 | Confident | 87.3 | Confident | 45 Ų | 45 | 44.4 Ų | 44.4 | 24% | 0.236 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -14.1 | -178.3 | -52.1 | -171.9 | 0 | 0 | 0 | 113.3 | K1194 P1197 E1239 Q1240 F1244 | K1194-L1242 HydrophobicContact CB-CD2 3.92Å; K1194-L1242 WeakPolarHBondContact CD-O 3.43Å; K1194-L1242 VanDerWaalsContact CE-O 3.31Å; K1194-L1242 WeakPolarHBondContact CE-O 3.4Å; K1194-L1242 HydrophobicContact CG-CD2 4.38Å; K1194-L1242 PolarHBondContact NZ-O 3.35Å; K1194-L1242 WeakPolarHBondContact O-CD2 3.42Å; P1197-L1242 HydrophobicContact CG-CD1 3.98Å; P1197-L1242 HydrophobicContact CG-CD2 4.48Å; P1197-L1242 HydrophobicContact CG-CG 4.35Å; E1239-L1242 HydrophobicContact CG-CD1 4.5Å; E1239-L1242 VanDerWaalsContact O-CB 3.29Å; E1239-L1242 WeakPolarHBondContact O-CB 3.44Å; E1239-L1242 PolarHBondContact O-N 2.66Å; Q1240-L1242 VanDerWaalsContact C-N 3.27Å; Q1240-L1242 PolarHBondContact O-N 2.87Å; L1242-F1244 PolarHBondContact O-N 3Å |
| 1243 | A | 85.8 | Confident | 86.6 | Confident | 77 Ų | 77 | 42.5 Ų | 42.5 | 64% | 0.636 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -29.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q1240 L1241 | Q1240-A1243 WeakPolarHBondContact O-CB 3.19Å; Q1240-A1243 PolarHBondContact O-N 2.94Å; L1241-A1243 PolarHBondContact O-N 3.45Å; L1241-A1243 VanDerWaalsContact O-N 3.14Å |
| 1244 | F | 83.5 | Confident | 85.9 | Confident | 23 Ų | 23 | 39.4 Ų | 39.4 | 10% | 0.101 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -95 | 142.5 | -172.2 | -58.3 | -84.2 | 0 | 0 | 0 | 112.2 | V1067 Y1070 K1194 Q1240 L1241 L1242 F1246 | V1067-F1244 HydrophobicContact CB-CE2 4.48Å; V1067-F1244 HydrophobicContact CG1-CE2 4.28Å; V1067-F1244 HydrophobicContact CG1-CZ 4.22Å; V1067-F1244 HydrophobicContact CG2-CE2 4.12Å; Y1070-F1244 HydrophobicContact CD2-CD1 4.43Å; Y1070-F1244 HydrophobicContact CD2-CG 4.49Å; Y1070-F1244 HydrophobicContact CG-CD1 4.2Å; Y1070-F1244 HydrophobicContact CG-CE1 4.35Å; K1194-F1244 WeakPolarHBondContact CE-O 3.47Å; K1194-F1244 PolarHBondContact NZ-O 3.31Å; Q1240-F1244 WeakPolarHBondContact O-CE2 3.44Å; L1241-F1244 PolarHBondContact O-N 3.32Å; L1242-F1244 PolarHBondContact O-N 3Å; F1244-F1246 HydrophobicContact CB-CD1 4.24Å; F1244-F1246 HydrophobicContact CB-CE1 3.6Å; F1244-F1246 HydrophobicContact CB-CE2 4.31Å; F1244-F1246 HydrophobicContact CB-CZ 3.67Å; F1244-F1246 HydrophobicContact CD2-CZ 4.36Å; F1244-F1246 HydrophobicContact CG-CE1 4.41Å; F1244-F1246 HydrophobicContact CG-CZ 4.37Å; F1244-F1246 PolarHBondContact O-N 2.92Å |
| 1245 | P | 80 | Confident | 84.8 | Confident | 62 Ų | 62 | 47.4 Ų | 47.4 | 40% | 0.403 | 25% | 0.252 | S | S | . | . | trans | -86.6 | 80.1 | 176.9 | 34.2 | -33 | 0 | 0 | 0 | 110.7 | Y1096 N1247 | Y1096-P1245 HydrophobicContact CD2-CG 3.89Å; Y1096-P1245 HydrophobicContact CE2-CG 3.94Å; P1245-N1247 PolarHBondContact O-ND2 3.12Å | ||
| 1246 | F | 82.4 | Confident | 83.8 | Confident | 10 Ų | 10 | 49 Ų | 49 | 4% | 0.044 | 26% | 0.259 | C | S | . | . | trans | -65.2 | 136.3 | 176.2 | -54.8 | -53.9 | 0 | 0 | 0 | 111.8 | Y1070 L1110 L1191 N1192 L1241 F1244 | Y1070-F1246 HydrophobicContact CD2-CE1 4.42Å; Y1070-F1246 AromaticContact CE2-CE1 3.94Å; Y1070-F1246 HydrophobicContact CE2-CE1 3.94Å; L1110-F1246 HydrophobicContact CD1-CD1 3.48Å; L1110-F1246 VanDerWaalsContact CD1-CD1 3.48Å; L1110-F1246 HydrophobicContact CD1-CE1 3.6Å; L1110-F1246 HydrophobicContact CD1-CG 4.31Å; L1110-F1246 HydrophobicContact CD1-CZ 4.48Å; L1110-F1246 HydrophobicContact CD2-CD1 4.1Å; L1110-F1246 HydrophobicContact CD2-CE1 3.5Å; L1110-F1246 HydrophobicContact CD2-CE2 4.28Å; L1110-F1246 HydrophobicContact CD2-CZ 3.59Å; L1110-F1246 HydrophobicContact CG-CD1 4.42Å; L1110-F1246 HydrophobicContact CG-CE1 4.09Å; L1191-F1246 HydrophobicContact CB-CD2 3.83Å; L1191-F1246 HydrophobicContact CB-CE2 4.45Å; L1191-F1246 HydrophobicContact CB-CG 4.4Å; L1191-F1246 HydrophobicContact CD2-CD2 4.11Å; L1191-F1246 HydrophobicContact CD2-CE2 3.87Å; N1192-F1246 PolarHBondContact OD1-O 2.98Å; L1241-F1246 HydrophobicContact CB-CE2 3.91Å; L1241-F1246 HydrophobicContact CB-CZ 4.08Å; L1241-F1246 HydrophobicContact CD2-CZ 4.39Å; L1241-F1246 WeakPolarHBondContact O-CE2 3.09Å; L1241-F1246 WeakPolarHBondContact O-CZ 3.46Å; F1244-F1246 HydrophobicContact CB-CD1 4.24Å; F1244-F1246 HydrophobicContact CB-CE1 3.6Å; F1244-F1246 HydrophobicContact CB-CE2 4.31Å; F1244-F1246 HydrophobicContact CB-CZ 3.67Å; F1244-F1246 HydrophobicContact CD2-CZ 4.36Å; F1244-F1246 HydrophobicContact CG-CE1 4.41Å; F1244-F1246 HydrophobicContact CG-CZ 4.37Å; F1244-F1246 PolarHBondContact O-N 2.92Å | ||
| 1247 | N | 82.6 | Confident | 82.2 | Confident | 91 Ų | 91 | 49.8 Ų | 49.8 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | trans | -136 | 39.9 | -178.5 | -78.2 | -92.9 | 0 | 0 | 0 | 109.8 | S1097 P1245 D1249 | S1097-N1247 WeakPolarHBondContact CB-O 3.45Å; P1245-N1247 PolarHBondContact O-ND2 3.12Å; N1247-D1249 PolarHBondContact O-N 2.58Å | ||
| 1248 | L | 84.1 | Confident | 80.7 | Confident | 9 Ų | 9 | 51.2 Ų | 51.2 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | trans | -62.4 | 125.1 | -174.6 | -59.7 | 173.9 | 0 | 0 | 0 | 110.4 | E1100 L1110 C1188 L1191 N1192 I1250 | E1100-L1248 VanDerWaalsContact OE2-CD2 3.32Å; E1100-L1248 WeakPolarHBondContact OE2-CD2 3.33Å; L1110-L1248 HydrophobicContact CD1-CD1 4.29Å; L1110-L1248 HydrophobicContact CD1-CD2 3.83Å; L1110-L1248 HydrophobicContact CD1-CG 4.41Å; C1188-L1248 HydrophobicContact CB-CD1 3.9Å; L1191-L1248 HydrophobicContact CD1-CD1 4.41Å; N1192-L1248 PolarHBondContact ND2-O 3.13Å; N1192-L1248 WeakPolarHBondContact OD1-CB 3.42Å; N1192-L1248 PolarHBondContact OD1-N 2.9Å; L1248-I1250 PolarHBondContact O-N 3.13Å | ||
| 1249 | D | 84.6 | Confident | 78.7 | Confident | 66 Ų | 66 | 56.1 Ų | 56.1 | 35% | 0.353 | 30% | 0.297 | S | S | . | . | trans | -71.4 | 102.1 | 164.2 | 175.8 | 13 | 0 | 0 | 0 | 108.6 | N1247 S1251 I1252 E1253 | N1247-D1249 PolarHBondContact O-N 2.58Å; D1249-S1251 PolarHBondContact O-N 3.18Å; D1249-S1251 VanDerWaalsContact O-N 3.1Å; D1249-S1251 WeakPolarHBondContact OD1-CA 3.43Å; D1249-S1251 WeakPolarHBondContact OD1-CB 3.34Å; D1249-S1251 PolarHBondContact OD1-N 3.4Å; D1249-S1251 PolarHBondContact OD1-OG 3.45Å; D1249-I1252 HydrophobicContact CB-CB 4.21Å; D1249-I1252 HydrophobicContact CB-CD1 4.12Å; D1249-I1252 HydrophobicContact CB-CG1 4.36Å; D1249-I1252 PolarHBondContact O-N 2.86Å; D1249-I1252 VanDerWaalsContact OD2-CD1 3.26Å; D1249-I1252 WeakPolarHBondContact OD2-CD1 3.36Å; D1249-I1252 WeakPolarHBondContact OD2-CG1 3.47Å; D1249-I1252 PolarHBondContact OD2-N 2.83Å; D1249-E1253 WeakPolarHBondContact O-CB 3.47Å; D1249-E1253 PolarHBondContact O-N 3.31Å | ||
| 1250 | I | 85.5 | Confident | 76.4 | Confident | 12 Ų | 12 | 54.8 Ų | 54.8 | 6% | 0.062 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -52.7 | -34.8 | 178.1 | -52.9 | 166.9 | 0 | 0 | 0 | 110.2 | Q1169 V1170 L1173 C1188 A1189 L1248 E1253 V1254 | Q1169-I1250 HydrophobicContact CB-CD1 4.13Å; V1170-I1250 HydrophobicContact CG2-CG2 4.49Å; L1173-I1250 HydrophobicContact CD1-CB 4.24Å; L1173-I1250 HydrophobicContact CD1-CG2 3.6Å; C1188-I1250 HydrophobicContact CB-CG1 4.43Å; A1189-I1250 HydrophobicContact CB-CD1 3.74Å; L1248-I1250 PolarHBondContact O-N 3.13Å; I1250-E1253 PolarHBondContact O-N 3.2Å; I1250-V1254 HydrophobicContact CG2-CG2 4.01Å; I1250-V1254 WeakPolarHBondContact O-CB 3.48Å; I1250-V1254 WeakPolarHBondContact O-CG2 3.35Å; I1250-V1254 PolarHBondContact O-N 2.96Å |
| 1251 | S | 82.4 | Confident | 73.9 | Confident | 44 Ų | 44 | 55.5 Ų | 55.5 | 31% | 0.308 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.1 | -34.5 | 179.8 | -33 | 0 | 0 | 0 | 0 | 113 | D1249 R1255 | D1249-S1251 PolarHBondContact O-N 3.18Å; D1249-S1251 VanDerWaalsContact O-N 3.1Å; D1249-S1251 WeakPolarHBondContact OD1-CA 3.43Å; D1249-S1251 WeakPolarHBondContact OD1-CB 3.34Å; D1249-S1251 PolarHBondContact OD1-N 3.4Å; D1249-S1251 PolarHBondContact OD1-OG 3.45Å; S1251-R1255 PolarHBondContact O-NE 2.82Å; S1251-R1255 PolarHBondContact O-NH2 2.93Å |
| 1252 | I | 79.9 | Confident | 71.4 | Confident | 82 Ų | 82 | 63.3 Ų | 63.3 | 42% | 0.421 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -77.9 | -46.9 | 171.6 | -74 | 165.8 | 0 | 0 | 0 | 109.7 | D1249 V1254 R1255 K1256 | D1249-I1252 HydrophobicContact CB-CB 4.21Å; D1249-I1252 HydrophobicContact CB-CD1 4.12Å; D1249-I1252 HydrophobicContact CB-CG1 4.36Å; D1249-I1252 PolarHBondContact O-N 2.86Å; D1249-I1252 VanDerWaalsContact OD2-CD1 3.26Å; D1249-I1252 WeakPolarHBondContact OD2-CD1 3.36Å; D1249-I1252 WeakPolarHBondContact OD2-CG1 3.47Å; D1249-I1252 PolarHBondContact OD2-N 2.83Å; I1252-V1254 PolarHBondContact O-N 3.34Å; I1252-R1255 VanDerWaalsContact CG1-NH2 3.28Å; I1252-R1255 WeakPolarHBondContact O-CA 3.42Å; I1252-R1255 WeakPolarHBondContact O-CB 3.34Å; I1252-R1255 PolarHBondContact O-N 2.96Å; I1252-K1256 PolarHBondContact O-N 2.98Å; I1252-K1256 VanDerWaalsContact O-N 3.15Å |
| 1253 | E | 78.2 | Confident | 69 | Low | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.009 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.3 | -42.1 | -173.7 | -171.3 | 47.9 | -118.1 | 0 | 0 | 112.5 | L1111 K1184 C1188 D1249 I1250 R1255 K1256 | L1111-E1253 VanDerWaalsContact CD1-CD 3.44Å; L1111-E1253 VanDerWaalsContact CD1-OE1 3.22Å; L1111-E1253 WeakPolarHBondContact CD1-OE1 3.4Å; L1111-E1253 VanDerWaalsContact CD1-OE2 3.24Å; L1111-E1253 WeakPolarHBondContact CD1-OE2 3.33Å; L1111-E1253 WeakPolarHBondContact CD2-OE1 3.44Å; L1111-E1253 WeakPolarHBondContact CG-OE1 3.34Å; K1184-E1253 WeakPolarHBondContact CE-O 3.32Å; K1184-E1253 WeakPolarHBondContact CE-OE1 3.46Å; K1184-E1253 PolarHBondContact NZ-O 2.8Å; K1184-E1253 IonicContact NZ-OE1 3.13Å; K1184-E1253 PolarHBondContact NZ-OE1 3.01Å; C1188-E1253 HydrophobicContact CB-CG 4.43Å; C1188-E1253 WeakPolarHBondContact SG-CG 3.43Å; D1249-E1253 WeakPolarHBondContact O-CB 3.47Å; D1249-E1253 PolarHBondContact O-N 3.31Å; I1250-E1253 PolarHBondContact O-N 3.2Å; E1253-R1255 PolarHBondContact O-N 2.99Å; E1253-K1256 PolarHBondContact O-N 2.76Å; E1253-K1256 VanDerWaalsContact O-N 3.13Å; E1253-K1256 VanDerWaalsContact OE2-CD 3.29Å; E1253-K1256 WeakPolarHBondContact OE2-CD 3.47Å; E1253-K1256 WeakPolarHBondContact OE2-CE 3.31Å; E1253-K1256 IonicContact OE2-NZ 2.76Å; E1253-K1256 PolarHBondContact OE2-NZ 2.91Å |
| 1254 | V | 76.6 | Confident | 66.6 | Low | 17 Ų | 17 | 67.6 Ų | 67.6 | 10% | 0.103 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -33 | 170.2 | 151 | 0 | 0 | 0 | 0 | 113.2 | L1173 I1176 T1181 I1250 I1252 | L1173-V1254 HydrophobicContact CD1-CG2 4.29Å; I1176-V1254 HydrophobicContact CD1-CB 4.17Å; I1176-V1254 HydrophobicContact CD1-CG1 3.49Å; I1176-V1254 VanDerWaalsContact CD1-CG1 3.49Å; I1176-V1254 HydrophobicContact CD1-CG2 3.6Å; I1176-V1254 HydrophobicContact CG1-CG1 3.58Å; T1181-V1254 HydrophobicContact CG2-CB 4.35Å; T1181-V1254 HydrophobicContact CG2-CG1 3.77Å; T1181-V1254 VanDerWaalsContact CG2-O 3.31Å; T1181-V1254 WeakPolarHBondContact CG2-O 3.31Å; I1250-V1254 HydrophobicContact CG2-CG2 4.01Å; I1250-V1254 WeakPolarHBondContact O-CB 3.48Å; I1250-V1254 WeakPolarHBondContact O-CG2 3.35Å; I1250-V1254 PolarHBondContact O-N 2.96Å; I1252-V1254 PolarHBondContact O-N 3.34Å |
| 1255 | R | 71.7 | Confident | 64.2 | Low | 169 Ų | 169 | 72.3 Ų | 72.3 | 64% | 0.638 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -23.5 | 179.7 | -73.5 | -179.3 | -74.5 | 155.1 | -3.9 | 113.3 | S1251 I1252 E1253 | S1251-R1255 PolarHBondContact O-NE 2.82Å; S1251-R1255 PolarHBondContact O-NH2 2.93Å; I1252-R1255 VanDerWaalsContact CG1-NH2 3.28Å; I1252-R1255 WeakPolarHBondContact O-CA 3.42Å; I1252-R1255 WeakPolarHBondContact O-CB 3.34Å; I1252-R1255 PolarHBondContact O-N 2.96Å; E1253-R1255 PolarHBondContact O-N 2.99Å |
| 1256 | K | 71.1 | Confident | 61.9 | Low | 44 Ų | 44 | 75.1 Ų | 75.1 | 19% | 0.191 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -63.4 | 121 | 173.5 | -60.3 | -177.9 | -162.3 | 161.2 | 0 | 108.6 | E1100 L1111 K1184 I1252 E1253 | E1100-K1256 IonicContact OE1-NZ 2.81Å; E1100-K1256 PolarHBondContact OE1-NZ 3.16Å; L1111-K1256 HydrophobicContact CD1-CD 4.4Å; L1111-K1256 HydrophobicContact CD2-CB 4.08Å; L1111-K1256 HydrophobicContact CD2-CD 3.81Å; K1184-K1256 PolarHBondContact NZ-O 3.2Å; I1252-K1256 PolarHBondContact O-N 2.98Å; I1252-K1256 VanDerWaalsContact O-N 3.15Å; E1253-K1256 PolarHBondContact O-N 2.76Å; E1253-K1256 VanDerWaalsContact O-N 3.13Å; E1253-K1256 VanDerWaalsContact OE2-CD 3.29Å; E1253-K1256 WeakPolarHBondContact OE2-CD 3.47Å; E1253-K1256 WeakPolarHBondContact OE2-CE 3.31Å; E1253-K1256 IonicContact OE2-NZ 2.76Å; E1253-K1256 PolarHBondContact OE2-NZ 2.91Å |
| 1257 | P | 59.5 | Low | 59.5 | Low | 94 Ų | 94 | 80 Ų | 80 | 61% | 0.61 | 42% | 0.417 | S | S | * | . | trans | -61.5 | 153.4 | -173.9 | 25.4 | -34.6 | 0 | 0 | 0 | 111.7 | I1259 | P1257-I1259 HydrophobicContact CG-CG1 4.49Å; P1257-I1259 PolarHBondContact O-N 2.81Å | ||
| 1258 | F | 59.1 | Low | 57.1 | Low | 60 Ų | 60 | 83.2 Ų | 83.2 | 26% | 0.263 | 43% | 0.434 | S | S | . | . | trans | -74.3 | 92.3 | 173.3 | -146.8 | -88.2 | 0 | 0 | 0 | 107.9 | I1114 P1115 T1118 D1260 | I1114-F1258 HydrophobicContact CG2-CE2 4.34Å; P1115-F1258 HydrophobicContact CB-CE1 3.9Å; P1115-F1258 HydrophobicContact CB-CZ 4.06Å; P1115-F1258 HydrophobicContact CG-CE1 4.05Å; P1115-F1258 HydrophobicContact CG-CZ 4.1Å; T1118-F1258 HydrophobicContact CG2-CZ 4.31Å; F1258-D1260 VanDerWaalsContact C-N 3.28Å; F1258-D1260 WeakPolarHBondContact CD1-OD1 3.16Å; F1258-D1260 PolarHBondContact O-N 3.14Å | ||
| 1259 | I | 50.1 | Low | 54.6 | Low | 103 Ų | 103 | 88.6 Ų | 88.6 | 53% | 0.528 | 47% | 0.467 | S | S | . | . | trans | -75 | 88.1 | 174.1 | -57 | 179.1 | 0 | 0 | 0 | 107.1 | P1257 S1261 L1264 | P1257-I1259 HydrophobicContact CG-CG1 4.49Å; P1257-I1259 PolarHBondContact O-N 2.81Å; I1259-S1261 PolarHBondContact O-N 2.96Å; I1259-L1264 HydrophobicContact CG2-CD1 4.18Å | ||
| 1260 | D | 43.3 | Very low | 52.1 | Low | 72 Ų | 72 | 94.1 Ų | 94.1 | 39% | 0.385 | 49% | 0.488 | S | S | . | . | trans | -54.2 | 115 | 168.1 | -73.5 | -41.8 | 0 | 0 | 0 | 108 | F1258 Q1262 L1263 | F1258-D1260 VanDerWaalsContact C-N 3.28Å; F1258-D1260 WeakPolarHBondContact CD1-OD1 3.16Å; F1258-D1260 PolarHBondContact O-N 3.14Å; D1260-Q1262 PolarHBondContact O-N 3.43Å; D1260-L1263 PolarHBondContact O-N 3.36Å | ||
| 1261 | S | 38.3 | Very low | 49.3 | Very low | 84 Ų | 84 | 100.7 Ų | 100.7 | 59% | 0.587 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.8 | -19.5 | -174.8 | -46.1 | 0 | 0 | 0 | 0 | 112.9 | I1259 L1263 L1264 | I1259-S1261 PolarHBondContact O-N 2.96Å; S1261-L1263 PolarHBondContact O-N 3.32Å; S1261-L1264 PolarHBondContact O-N 3.35Å |
| 1262 | Q | 35.6 | Very low | 46.9 | Very low | 163 Ų | 163 | 103.4 Ų | 103.4 | 76% | 0.762 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -56.7 | -31 | 168 | -64.4 | -72.8 | -24.6 | 0 | 0 | 113.5 | D1260 | D1260-Q1262 PolarHBondContact O-N 3.43Å |
| 1263 | L | 35.1 | Very low | 44.7 | Very low | 104 Ų | 104 | 106.1 Ų | 106.1 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -89.6 | -22 | -178.8 | -92.4 | 164.8 | 0 | 0 | 0 | 113.8 | D1260 S1261 N1266 N1267 | D1260-L1263 PolarHBondContact O-N 3.36Å; S1261-L1263 PolarHBondContact O-N 3.32Å; L1263-N1266 PolarHBondContact O-N 3.04Å; L1263-N1267 PolarHBondContact O-ND2 3.09Å |
| 1264 | L | 35 | Very low | 42.2 | Very low | 109 Ų | 109 | 111.4 Ų | 111.4 | 57% | 0.571 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -73.6 | -35.3 | -176.5 | -153.5 | 74.3 | 0 | 0 | 0 | 112.2 | I1259 S1261 N1266 | I1259-L1264 HydrophobicContact CG2-CD1 4.18Å; S1261-L1264 PolarHBondContact O-N 3.35Å; L1264-N1266 VanDerWaalsContact C-N 3.28Å; L1264-N1266 PolarHBondContact O-N 3.46Å |
| 1265 | N | 32.8 | Very low | 39.9 | Very low | 121 Ų | 121 | 115.5 Ų | 115.5 | 65% | 0.647 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -25 | 176.6 | -75.8 | -2.7 | 0 | 0 | 0 | 113.6 | ||
| 1266 | N | 31.7 | Very low | 37.8 | Very low | 122 Ų | 122 | 112.4 Ų | 112.4 | 65% | 0.652 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -2.6 | -174.3 | -67.8 | -15.3 | 0 | 0 | 0 | 114.1 | L1263 L1264 | L1263-N1266 PolarHBondContact O-N 3.04Å; L1264-N1266 VanDerWaalsContact C-N 3.28Å; L1264-N1266 PolarHBondContact O-N 3.46Å |
| 1267 | N | 32.9 | Very low | 35.9 | Very low | 111 Ų | 111 | 120 Ų | 120 | 59% | 0.594 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | -5.8 | -179.6 | -72.3 | -72.9 | 0 | 0 | 0 | 113.7 | L1263 T1269 | L1263-N1267 PolarHBondContact O-ND2 3.09Å; N1267-T1269 PolarHBondContact O-N 3.23Å |
| 1268 | L | 32.1 | Very low | 34.4 | Very low | 160 Ų | 160 | 122.8 Ų | 122.8 | 84% | 0.838 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -84.8 | 13 | 178.4 | -151 | 68.3 | 0 | 0 | 0 | 113.7 | ||
| 1269 | T | 31.6 | Very low | 32.9 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 74% | 0.742 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -130 | 45.5 | 176.8 | 59.8 | 0 | 0 | 0 | 0 | 111.4 | N1267 | N1267-T1269 PolarHBondContact O-N 3.23Š|
| 1270 | K | 30.8 | Very low | 31.9 | Very low | 182 Ų | 182 | 126.7 Ų | 126.7 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | trans | -148.7 | 74.6 | 172.8 | -128 | 173.2 | -171.2 | 177.4 | 0 | 113.1 | S1272 | K1270-S1272 PolarHBondContact O-N 2.6Š| ||
| 1271 | T | 28.2 | Very low | 31.1 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 93% | 0.926 | 71% | 0.713 | S | S | * | * | trans | -65.7 | 67 | 162.4 | 38.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1272 | S | 31.2 | Very low | 30.9 | Very low | 100 Ų | 100 | 131.2 Ų | 131.2 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | trans | -92.8 | 99.7 | 174.3 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | K1270 | K1270-S1272 PolarHBondContact O-N 2.6Š| ||
| 1273 | I | 33.7 | Very low | 30.6 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | trans | -24 | 131 | 167.6 | -59.7 | 159.5 | 0 | 0 | 0 | 112.6 | S1275 | I1273-S1275 PolarHBondContact O-N 2.75Š| ||
| 1274 | P | 25.5 | Very low | 30.4 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | trans | -66.1 | 100.3 | 168.8 | 28.8 | -32.8 | 0 | 0 | 0 | 108.7 | T1276 | P1274-T1276 PolarHBondContact O-N 2.78Å; P1274-T1276 PolarHBondContact O-OG1 2.78Å | ||
| 1275 | S | 29.5 | Very low | 30 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | -73.5 | 91.8 | -177.4 | -172 | 0 | 0 | 0 | 0 | 110.3 | I1273 Y1277 | I1273-S1275 PolarHBondContact O-N 2.75Å; S1275-Y1277 WeakPolarHBondContact O-CD1 3.39Å; S1275-Y1277 PolarHBondContact O-N 3Å | ||
| 1276 | T | 27.1 | Very low | 29.8 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 63% | 0.632 | 74% | 0.742 | S | S | * | * | trans | -60.9 | 93.2 | -176.1 | -52.3 | 0 | 0 | 0 | 0 | 112.5 | P1274 M1278 | P1274-T1276 PolarHBondContact O-N 2.78Å; P1274-T1276 PolarHBondContact O-OG1 2.78Å; T1276-M1278 VanDerWaalsContact C-N 3.34Å; T1276-M1278 HydrophobicContact CG2-CE 4.02Å; T1276-M1278 HydrophobicContact CG2-CG 4.31Å; T1276-M1278 HydrophobicContact CG2-SD 4.25Å; T1276-M1278 PolarHBondContact O-N 2.77Å | ||
| 1277 | Y | 30.4 | Very low | 29.8 | Very low | 205 Ų | 205 | 138.7 Ų | 138.7 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | -73.6 | 90.8 | 165.1 | 46.7 | -90.4 | 0 | 0 | 0 | 109.6 | S1275 T1279 | S1275-Y1277 WeakPolarHBondContact O-CD1 3.39Å; S1275-Y1277 PolarHBondContact O-N 3Å; Y1277-T1279 PolarHBondContact O-N 3.32Å; Y1277-T1279 PolarHBondContact O-OG1 3.44Å | ||
| 1278 | M | 28.4 | Very low | 29.6 | Very low | 152 Ų | 152 | 138 Ų | 138 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | trans | -52.4 | 105.5 | 174.8 | -79.2 | -67.7 | -179.4 | 0 | 0 | 110.8 | T1276 T1280 | T1276-M1278 VanDerWaalsContact C-N 3.34Å; T1276-M1278 HydrophobicContact CG2-CE 4.02Å; T1276-M1278 HydrophobicContact CG2-CG 4.31Å; T1276-M1278 HydrophobicContact CG2-SD 4.25Å; T1276-M1278 PolarHBondContact O-N 2.77Å; M1278-T1280 PolarHBondContact O-N 3.05Å | ||
| 1279 | T | 27.4 | Very low | 29.4 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | trans | -92 | 79.9 | 170.1 | -55.7 | 0 | 0 | 0 | 0 | 107.8 | Y1277 N1281 | Y1277-T1279 PolarHBondContact O-N 3.32Å; Y1277-T1279 PolarHBondContact O-OG1 3.44Å; T1279-N1281 PolarHBondContact O-N 3.32Å; T1279-N1281 VanDerWaalsContact O-N 3.12Å | ||
| 1280 | T | 29.5 | Very low | 29.4 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | trans | -66.5 | 106.9 | 176 | 36.6 | 0 | 0 | 0 | 0 | 110 | M1278 | M1278-T1280 PolarHBondContact O-N 3.05Š| ||
| 1281 | N | 27.2 | Very low | 29.2 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | trans | -139.7 | 68.3 | 178.5 | -146.1 | -8.5 | 0 | 0 | 0 | 111.5 | T1279 | T1279-N1281 PolarHBondContact O-N 3.32Å; T1279-N1281 VanDerWaalsContact O-N 3.12Å | ||
| 1282 | S | 33.2 | Very low | 29.5 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | trans | -105.9 | 122.3 | 159.9 | -82.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1283 | K | 29.9 | Very low | 29.4 | Very low | 189 Ų | 189 | 140.3 Ų | 140.3 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | 71.5 | 63.6 | 73.5 | -68.8 | -178.5 | 175.7 | -176.5 | 0 | 114.6 | |||||
| 1284 | H | 30.9 | Very low | 29.5 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | -167.2 | 134 | 127.5 | -122.7 | -102.9 | 0 | 0 | 0 | 107.3 | |||||
| 1285 | L | 27.1 | Very low | 29.8 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 69% | 0.686 | 76% | 0.763 | S | S | * | * | cis | 66.7 | 115.7 | 47.1 | -89.2 | 142.9 | 0 | 0 | 0 | 114.5 | ||||
| 1286 | N | 28.6 | Very low | 30 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 67% | 0.668 | 76% | 0.763 | S | S | * | * | trans | 69 | 150.9 | 165.4 | -62.4 | -2.8 | 0 | 0 | 0 | 117.3 | ||||
| 1287 | Q | 29.8 | Very low | 30.3 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | cis | -164.5 | 175.9 | -36.9 | -127.5 | 173 | 7.1 | 0 | 0 | 108 | ||||
| 1288 | S | 29 | Very low | 30.4 | Very low | 97 Ų | 97 | 135.4 Ų | 135.4 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | 40.1 | 92.6 | 157 | 59.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 1289 | N | 27.8 | Very low | 30.7 | Very low | 171 Ų | 171 | 134 Ų | 134 | 91% | 0.914 | 76% | 0.757 | S | S | * | * | trans | -94 | 103.5 | 147.5 | -88.4 | -9.1 | 0 | 0 | 0 | 108.1 | ||||
| 1290 | H | 31.6 | Very low | 31.1 | Very low | 190 Ų | 190 | 133.4 Ų | 133.4 | 88% | 0.88 | 75% | 0.75 | S | S | * | * | trans | -148.2 | 125 | 176.3 | -109.7 | -68 | 0 | 0 | 0 | 110.9 | ||||
| 1291 | G | 27.9 | Very low | 31.5 | Very low | 65 Ų | 65 | 135.7 Ų | 135.7 | 67% | 0.67 | 75% | 0.749 | S | S | * | * | trans | 92.1 | 138.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1292 | I | 34.5 | Very low | 32.1 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | trans | 69.2 | 134.8 | 158.3 | -47.9 | 172 | 0 | 0 | 0 | 116.2 | ||||
| 1293 | E | 28.7 | Very low | 32.3 | Very low | 167 Ų | 167 | 134.1 Ų | 134.1 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | cis | -169.7 | 124.1 | -29.8 | 177.1 | 168.6 | -177.5 | 0 | 0 | 107.5 | ||||
| 1294 | S | 34.8 | Very low | 32.4 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | -176.9 | 92.7 | 156.2 | -85.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1295 | T | 33.1 | Very low | 32.7 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | 41.3 | 119.5 | 132.2 | -12.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1296 | A | 33.3 | Very low | 33.2 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | trans | 73.1 | 145.6 | 139.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1297 | V | 34.3 | Very low | 33.4 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | cis | -150.3 | 155.6 | -16.7 | 119 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1298 | T | 32.2 | Very low | 33.8 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 63% | 0.632 | 76% | 0.76 | S | S | * | * | trans | -22.3 | 160.8 | 169.7 | 79.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1299 | N | 35 | Very low | 34.3 | Very low | 124 Ų | 124 | 133 Ų | 133 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | cis | -170.7 | 156.2 | 40.8 | -133.5 | -23.7 | 0 | 0 | 0 | 116 | ||||
| 1300 | N | 35.5 | Very low | 34.4 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 54% | 0.54 | 76% | 0.758 | S | S | . | * | trans | 55.1 | 120.4 | 144 | -75.8 | -34.8 | 0 | 0 | 0 | 124.3 | ||||
| 1301 | K | 36.8 | Very low | 34.5 | Very low | 178 Ų | 178 | 127 Ų | 127 | 77% | 0.774 | 76% | 0.757 | S | S | * | * | 62.7 | 153.6 | 113.4 | -64.5 | 176.6 | -175.6 | 168.2 | 0 | 120 | |||||
| 1302 | T | 39.9 | Very low | 34.8 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | cis | -157.8 | 159.7 | 1.8 | 0.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1303 | G | 37.7 | Very low | 34.8 | Very low | 78 Ų | 78 | 127.8 Ų | 127.8 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | 150 | 104.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1304 | R | 32.1 | Very low | 34.8 | Very low | 243 Ų | 243 | 125.5 Ų | 125.5 | 92% | 0.917 | 75% | 0.753 | S | S | * | * | trans | -153.1 | 124.8 | -176.6 | -168.2 | -173 | -167.2 | -158.4 | 6.6 | 112.3 | ||||
| 1305 | S | 37.4 | Very low | 34.6 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | trans | -155.7 | 112.9 | 165.3 | -148.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1306 | N | 37.4 | Very low | 34.5 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 66% | 0.658 | 76% | 0.756 | S | S | * | * | 68.9 | 137.4 | 85.5 | -57.2 | -30.5 | 0 | 0 | 0 | 112.7 | |||||
| 1307 | I | 33.5 | Very low | 34.4 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | cis | -166.4 | 167.8 | -14.4 | -117.1 | 156.8 | 0 | 0 | 0 | 106 | ||||
| 1308 | P | 36.5 | Very low | 34.2 | Very low | 112 Ų | 112 | 137 Ų | 137 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | -101 | -124.1 | -140 | 28 | -13.3 | 0 | 0 | 0 | 119.5 | ||||
| 1309 | P | 40.7 | Very low | 34 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | -115.6 | 178.8 | -97.3 | 34.6 | -22.3 | 0 | 0 | 0 | 117.3 | |||||
| 1310 | A | 30.4 | Very low | 33.7 | Very low | 96 Ų | 96 | 141.8 Ų | 141.8 | 79% | 0.793 | 76% | 0.757 | S | S | * | * | trans | 76.9 | 146.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1311 | T | 32.3 | Very low | 33.4 | Very low | 139 Ų | 139 | 144 Ų | 144 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | cis | -148.7 | 172.5 | 41.2 | -59.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1312 | V | 35.5 | Very low | 32.9 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 76% | 0.758 | 76% | 0.756 | S | S | * | * | trans | -82.1 | 174.3 | 177 | -175.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1313 | V | 33.8 | Very low | 32.3 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | trans | 82.5 | 137.7 | 169.1 | -159.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1314 | T | 29 | Very low | 31.9 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 72% | 0.724 | 71% | 0.713 | S | S | * | * | cis | -149.8 | 157.2 | 18.2 | -17.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1315 | R | 30.1 | Very low | 31.7 | Very low | 191 Ų | 191 | 124 Ų | 124 | 72% | 0.721 | 68% | 0.684 | S | S | * | * | trans | -12.8 | 135.6 | 137.8 | 179.9 | -155.9 | -159.5 | -164 | 6.8 | 118.6 | Q1317 | R1315-Q1317 VanDerWaalsContact NE-OE1 3.13Š| ||
| 1316 | R | 32.1 | Very low | 31.2 | Very low | 244 Ų | 244 | 123.8 Ų | 123.8 | 92% | 0.921 | 67% | 0.674 | S | S | * | * | trans | -160.1 | 137.8 | 135.9 | -104.3 | 165.7 | -177.3 | 173.9 | -0.2 | 108.1 | ||||
| 1317 | Q | 30.6 | Very low | 30.7 | Very low | 106 Ų | 106 | 120.4 Ų | 120.4 | 50% | 0.495 | 66% | 0.66 | S | S | . | * | cis | 93.5 | 106.4 | 14.2 | -140.6 | -159.9 | -40 | 0 | 0 | 115.8 | R1315 | R1315-Q1317 VanDerWaalsContact NE-OE1 3.13Š| ||
| 1318 | M | 29.4 | Very low | 30.5 | Very low | 157 Ų | 157 | 116.7 Ų | 116.7 | 77% | 0.773 | 64% | 0.642 | S | S | * | * | trans | 69.3 | 138.4 | 165.8 | -39.1 | -163.3 | -63.8 | 0 | 0 | 116.4 | ||||
| 1319 | I | 28.7 | Very low | 30.1 | Very low | 148 Ų | 148 | 116.8 Ų | 116.8 | 76% | 0.759 | 64% | 0.636 | S | S | * | * | -172.3 | 134.3 | 86.3 | -95.6 | 162.6 | 0 | 0 | 0 | 111.5 | |||||
| 1320 | F | 27.8 | Very low | 29.6 | Very low | 180 Ų | 180 | 115.9 Ų | 115.9 | 79% | 0.789 | 63% | 0.632 | S | S | * | * | trans | 53.9 | 150.4 | 150.1 | -77.1 | -109 | 0 | 0 | 0 | 124.3 | ||||
| 1321 | N | 29.1 | Very low | 29.5 | Very low | 149 Ų | 149 | 115.4 Ų | 115.4 | 80% | 0.797 | 62% | 0.624 | S | S | * | * | trans | 60.6 | 143.4 | 166.3 | -60.2 | 2.8 | 0 | 0 | 0 | 117.2 | ||||
| 1322 | G | 27.9 | Very low | 29.6 | Very low | 48 Ų | 48 | 119.4 Ų | 119.4 | 50% | 0.495 | 62% | 0.623 | S | S | . | * | cis | 112.5 | 146.4 | 6.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S1324 | G1322-S1324 PolarHBondContact O-N 3.25Š| ||
| 1323 | N | 27.4 | Very low | 29.3 | Very low | 107 Ų | 107 | 120.7 Ų | 120.7 | 57% | 0.572 | 62% | 0.624 | S | S | * | * | trans | 26 | 90.4 | 160.5 | -53.8 | 53.7 | 0 | 0 | 0 | 115 | T217 | T217-N1323 WeakPolarHBondContact OG1-CA 3.31Å; T217-N1323 WeakPolarHBondContact OG1-CB 3.45Å; T217-N1323 PolarHBondContact OG1-ND2 3.27Å; T217-N1323 PolarHBondContact OG1-OD1 3.4Å | ||
| 1324 | S | 28.5 | Very low | 29.4 | Very low | 27 Ų | 27 | 120.1 Ų | 120.1 | 19% | 0.189 | 62% | 0.623 | C | S | . | * | 149.3 | 158.2 | 69.7 | -78.2 | 0 | 0 | 0 | 0 | 109.6 | Q215 F216 G1322 | Q215-S1324 VanDerWaalsContact CD-C 3.41Å; Q215-S1324 PolarHBondContact NE2-O 3.25Å; Q215-S1324 VanDerWaalsContact O-CB 3.22Å; Q215-S1324 WeakPolarHBondContact O-CB 3.19Å; Q215-S1324 PolarHBondContact O-OG 3.43Å; Q215-S1324 VanDerWaalsContact OE1-C 3.25Å; Q215-S1324 PolarHBondContact OE1-O 3.46Å; F216-S1324 WeakPolarHBondContact CB-OG 3.39Å; F216-S1324 PolarHBondContact N-OG 2.77Å; F216-S1324 PolarHBondContact O-OG 3.47Å; F216-S1324 VanDerWaalsContact O-OG 3.12Å; G1322-S1324 PolarHBondContact O-N 3.25Å | |||
| 1325 | A | 27.7 | Very low | 29.4 | Very low | 37 Ų | 37 | 119.5 Ų | 119.5 | 31% | 0.306 | 62% | 0.624 | S | S | . | * | B | Isolated β-bridge | trans | -155.4 | -179 | -179.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | Q214 Q215 F216 | Q214-A1325 CarbonylContact C-O 3.59Å; Q214-A1325 PolarHBondContact N-O 3.42Å; Q215-A1325 PolarHBondContact N-O 2.77Å; F216-A1325 HydrophobicContact CD2-CB 4.39Å; F216-A1325 HydrophobicContact CE2-CB 3.66Å; F216-A1325 HydrophobicContact CZ-CB 4.32Å |
| 1326 | N | 26.1 | Very low | 29.3 | Very low | 99 Ų | 99 | 116.7 Ų | 116.7 | 53% | 0.529 | 63% | 0.627 | S | S | . | * | trans | 168.3 | -162.3 | 165.1 | 168.3 | 117 | 0 | 0 | 0 | 108.4 | Q214 | Q214-N1326 HydrophobicContact CG-CB 4.21Å; Q214-N1326 WeakPolarHBondContact CG-ND2 3.49Å | ||
| 1327 | S | 28 | Very low | 29.4 | Very low | 52 Ų | 52 | 110.5 Ų | 110.5 | 36% | 0.364 | 62% | 0.622 | S | S | . | * | cis | -164.8 | 166.7 | -20.5 | 62.4 | 0 | 0 | 0 | 0 | 111 | A212 S213 | A212-S1327 WeakPolarHBondContact O-CB 3.28Å; A212-S1327 PolarHBondContact O-OG 3.18Å; S213-S1327 WeakPolarHBondContact CB-OG 3.4Å; S213-S1327 VanDerWaalsContact OG-CB 3.23Å; S213-S1327 WeakPolarHBondContact OG-CB 3.27Å; S213-S1327 PolarHBondContact OG-OG 2.83Å | ||
| 1328 | N | 28.2 | Very low | 29.7 | Very low | 73 Ų | 73 | 110.7 Ų | 110.7 | 39% | 0.39 | 64% | 0.635 | S | S | . | * | trans | 54.4 | 119.5 | 157.6 | -62.7 | 1.3 | 0 | 0 | 0 | 120.8 | D211 A212 | D211-N1328 PolarHBondContact O-ND2 3.5Å; D211-N1328 PolarHBondContact O-OD1 3.1Å; A212-N1328 WeakPolarHBondContact CB-OD1 3.46Å; A212-N1328 VanDerWaalsContact O-CG 3.24Å; A212-N1328 PolarHBondContact O-ND2 3.29Å; A212-N1328 PolarHBondContact O-OD1 3.07Å | ||
| 1329 | N | 28.9 | Very low | 30.1 | Very low | 113 Ų | 113 | 108.8 Ų | 108.8 | 60% | 0.604 | 63% | 0.634 | S | S | * | * | 65.5 | 145.9 | 123.9 | -56.3 | -10.1 | 0 | 0 | 0 | 119.2 | D211 | D211-N1329 PolarHBondContact OD2-ND2 3.12Š| |||
| 1330 | S | 29.9 | Very low | 30.1 | Very low | 98 Ų | 98 | 108.4 Ų | 108.4 | 69% | 0.685 | 63% | 0.632 | S | S | * | * | cis | -159.2 | 137.2 | 27.8 | -156.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1331 | S | 28.9 | Very low | 30.5 | Very low | 87 Ų | 87 | 108 Ų | 108 | 61% | 0.608 | 63% | 0.632 | S | S | * | * | trans | 72.7 | 159.4 | 138.5 | 78.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1332 | R | 33.4 | Very low | 30.5 | Very low | 222 Ų | 222 | 106.1 Ų | 106.1 | 84% | 0.838 | 63% | 0.626 | S | S | * | * | trans | 75.2 | 110.8 | 166.1 | -58.3 | 177.9 | -164.9 | -140.3 | -0.3 | 115.2 | ||||
| 1333 | I | 30.8 | Very low | 30.7 | Very low | 152 Ų | 152 | 108.9 Ų | 108.9 | 78% | 0.779 | 63% | 0.634 | S | S | * | * | cis | 63.8 | 130.5 | 20.1 | -40.2 | 168.9 | 0 | 0 | 0 | 112.4 | ||||
| 1334 | P | 36 | Very low | 30.9 | Very low | 115 Ų | 115 | 109.5 Ų | 109.5 | 75% | 0.747 | 64% | 0.642 | S | S | * | * | cis | -106.3 | -136.6 | -2.7 | 30.3 | -8.1 | 0 | 0 | 0 | 109.9 | ||||
| 1335 | S | 27.8 | Very low | 31.2 | Very low | 105 Ų | 105 | 115.1 Ų | 115.1 | 73% | 0.734 | 67% | 0.669 | S | S | * | * | cis | -159.2 | 151.4 | 3.4 | 16.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1336 | V | 28.5 | Very low | 31.3 | Very low | 131 Ų | 131 | 117.4 Ų | 117.4 | 79% | 0.794 | 68% | 0.683 | S | S | * | * | trans | -40.8 | 143.9 | 160.5 | 173.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1337 | S | 33.5 | Very low | 31.5 | Very low | 115 Ų | 115 | 117.5 Ų | 117.5 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | trans | -172.3 | 134.9 | 131.8 | -84.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1338 | S | 36.6 | Very low | 31.9 | Very low | 110 Ų | 110 | 121.8 Ų | 121.8 | 77% | 0.769 | 71% | 0.709 | S | S | * | * | trans | -131.8 | 140 | 162.9 | -52.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 1339 | P | 38.5 | Very low | 32 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | trans | -129.9 | 143.1 | 142 | 33.4 | -21.3 | 0 | 0 | 0 | 110.1 | ||||
| 1340 | I | 29.4 | Very low | 32.2 | Very low | 141 Ų | 141 | 126.4 Ų | 126.4 | 72% | 0.723 | 73% | 0.732 | S | S | * | * | cis | 69.3 | 98.1 | 37.4 | -50.4 | 173.5 | 0 | 0 | 0 | 113.4 | ||||
| 1341 | Q | 35.3 | Very low | 32.3 | Very low | 170 Ų | 170 | 126.1 Ų | 126.1 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | trans | -176.8 | 114.6 | 132.6 | -99.8 | 160.6 | 86.4 | 0 | 0 | 108.1 | ||||
| 1342 | T | 28.4 | Very low | 32.4 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 68% | 0.675 | 74% | 0.735 | S | S | * | * | 66.5 | 148.8 | 94.6 | 64 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1343 | T | 33.5 | Very low | 32.2 | Very low | 106 Ų | 106 | 123.6 Ų | 123.6 | 65% | 0.65 | 73% | 0.731 | S | S | * | * | cis | -163.4 | 143.2 | 28.1 | -12.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1344 | T | 31.1 | Very low | 32.2 | Very low | 121 Ų | 121 | 121.5 Ų | 121.5 | 74% | 0.742 | 73% | 0.725 | S | S | * | * | trans | 63.4 | 159.8 | 145.3 | 59.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1345 | L | 33.8 | Very low | 31.8 | Very low | 144 Ų | 144 | 122.4 Ų | 122.4 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | cis | -152.3 | 161.3 | -2.2 | -149.9 | 67.1 | 0 | 0 | 0 | 112.6 | ||||
| 1346 | S | 31.4 | Very low | 32.1 | Very low | 85 Ų | 85 | 122.5 Ų | 122.5 | 59% | 0.594 | 73% | 0.73 | S | S | * | * | trans | 39 | 116.5 | 144.9 | 59.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1347 | S | 30.2 | Very low | 32.1 | Very low | 101 Ų | 101 | 121.2 Ų | 121.2 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | 79.9 | 150.1 | 84.1 | 92.6 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1348 | I | 35.3 | Very low | 31.8 | Very low | 143 Ų | 143 | 120.4 Ų | 120.4 | 73% | 0.733 | 72% | 0.721 | S | S | * | * | cis | -157 | 144.6 | 41.4 | -124.7 | 153.4 | 0 | 0 | 0 | 108.4 | ||||
| 1349 | K | 30.8 | Very low | 31.5 | Very low | 185 Ų | 185 | 123.1 Ų | 123.1 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | 43.1 | 142.1 | 106.5 | -81.7 | 176.4 | 178.4 | 177.6 | 0 | 115.9 | |||||
| 1350 | S | 34.2 | Very low | 31.1 | Very low | 97 Ų | 97 | 122.8 Ų | 122.8 | 68% | 0.678 | 73% | 0.726 | S | S | * | * | cis | -155.1 | 145.7 | 13.4 | -86.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1351 | S | 31.4 | Very low | 31 | Very low | 93 Ų | 93 | 119.8 Ų | 119.8 | 65% | 0.65 | 72% | 0.718 | S | S | * | * | 81.9 | 150.5 | 61.6 | 100 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1352 | N | 30.6 | Very low | 30.8 | Very low | 133 Ų | 133 | 118.7 Ų | 118.7 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | trans | 84 | 111.8 | 173.5 | -55.6 | 12.8 | 0 | 0 | 0 | 114.4 | ||||
| 1353 | T | 29.5 | Very low | 30.8 | Very low | 122 Ų | 122 | 116.4 Ų | 116.4 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | 73.8 | 148 | 65.4 | 71.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1354 | T | 29.3 | Very low | 30.8 | Very low | 108 Ų | 108 | 119 Ų | 119 | 66% | 0.663 | 71% | 0.705 | S | S | * | * | cis | -164.4 | 150.4 | 20 | -20.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1355 | T | 29 | Very low | 30.7 | Very low | 134 Ų | 134 | 117 Ų | 117 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | trans | 58.8 | 166.3 | 157.7 | 39.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1356 | S | 32.9 | Very low | 30.4 | Very low | 108 Ų | 108 | 119.6 Ų | 119.6 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | cis | -147.7 | 165.9 | 6.2 | 2.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1357 | S | 29 | Very low | 30.7 | Very low | 104 Ų | 104 | 120.5 Ų | 120.5 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | trans | -40.1 | 151 | 173.1 | 53.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1358 | S | 28.4 | Very low | 30.7 | Very low | 97 Ų | 97 | 123.5 Ų | 123.5 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | 101 | 135.4 | 128.7 | 74.2 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1359 | L | 29.7 | Very low | 30.7 | Very low | 167 Ų | 167 | 123.9 Ų | 123.9 | 87% | 0.874 | 70% | 0.702 | S | S | * | * | trans | 77.3 | 149.2 | 146 | -71.9 | 159.8 | 0 | 0 | 0 | 121.8 | ||||
| 1360 | S | 29.2 | Very low | 30.9 | Very low | 110 Ų | 110 | 122.7 Ų | 122.7 | 77% | 0.769 | 70% | 0.699 | S | S | * | * | trans | 66.8 | 112.4 | 165.4 | -156.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1361 | S | 27.9 | Very low | 31.2 | Very low | 77 Ų | 77 | 126.2 Ų | 126.2 | 54% | 0.538 | 71% | 0.709 | S | S | . | * | trans | -26.5 | 132.8 | 149.2 | -51.6 | 0 | 0 | 0 | 0 | 116.2 | F56 | F56-S1361 VanDerWaalsContact CZ-CB 3.4Š| ||
| 1362 | N | 31.9 | Very low | 31.3 | Very low | 147 Ų | 147 | 126.8 Ų | 126.8 | 79% | 0.786 | 71% | 0.71 | S | S | * | * | trans | -151.8 | 158.9 | 139.7 | -111.3 | -41.5 | 0 | 0 | 0 | 113.2 | F56 | F56-N1362 VanDerWaalsContact CZ-C 3.44Å; F56-N1362 WeakPolarHBondContact CZ-O 3.08Å | ||
| 1363 | N | 28.7 | Very low | 31.5 | Very low | 63 Ų | 63 | 127.1 Ų | 127.1 | 34% | 0.337 | 71% | 0.712 | S | S | . | * | trans | -81.4 | -170.5 | -173.8 | -83.6 | -40.4 | 0 | 0 | 0 | 112.3 | S54 S55 F56 | S54-N1363 PolarHBondContact O-OD1 2.69Å; S55-N1363 PolarHBondContact N-OD1 2.99Å; F56-N1363 WeakPolarHBondContact CD2-OD1 3.4Å; F56-N1363 HydrophobicContact CE2-CB 4.27Å; F56-N1363 WeakPolarHBondContact CE2-OD1 3.22Å | ||
| 1364 | H | 32.6 | Very low | 31.5 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 74% | 0.741 | 72% | 0.717 | S | S | * | * | trans | 83.8 | 113.6 | 170.5 | -42.6 | -67 | 0 | 0 | 0 | 113.3 | ||||
| 1365 | C | 28.9 | Very low | 31.6 | Very low | 78 Ų | 78 | 136 Ų | 136 | 53% | 0.527 | 73% | 0.728 | S | S | . | * | cis | 100.1 | 134.1 | 45.7 | -174.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1366 | Y | 26.7 | Very low | 31.6 | Very low | 200 Ų | 200 | 134.1 Ų | 134.1 | 78% | 0.784 | 72% | 0.72 | S | S | * | * | trans | -62.3 | 139.3 | -179.7 | -100.8 | -98 | 0 | 0 | 0 | 112.8 | ||||
| 1367 | P | 38.6 | Very low | 31.5 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 68% | 0.675 | 72% | 0.723 | S | S | * | * | trans | -92.2 | 89.7 | 157.1 | 28 | -17.2 | 0 | 0 | 0 | 109.9 | ||||
| 1368 | Q | 30.3 | Very low | 31.6 | Very low | 164 Ų | 164 | 137.6 Ų | 137.6 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | trans | -98.2 | 80.7 | 174 | -169 | 171 | 1.9 | 0 | 0 | 110.8 | H1370 | Q1368-H1370 PolarHBondContact O-N 2.92Å; Q1368-H1370 PolarHBondContact O-ND1 3.44Å | ||
| 1369 | H | 36 | Very low | 31.5 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | trans | -75.3 | 103.8 | 172.3 | -65.5 | -88 | 0 | 0 | 0 | 109.1 | ||||
| 1370 | H | 33.4 | Very low | 31.5 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | 92 | 106.5 | 81.9 | -70.7 | -3 | 0 | 0 | 0 | 112.7 | Q1368 | Q1368-H1370 PolarHBondContact O-N 2.92Å; Q1368-H1370 PolarHBondContact O-ND1 3.44Å | |||
| 1371 | L | 41.2 | Very low | 31.5 | Very low | 170 Ų | 170 | 144.5 Ų | 144.5 | 89% | 0.89 | 74% | 0.737 | S | S | * | * | trans | -66.7 | 168.4 | 157.8 | -65.6 | 163.6 | 0 | 0 | 0 | 109.9 | ||||
| 1372 | P | 33.5 | Very low | 31.7 | Very low | 105 Ų | 105 | 146.8 Ų | 146.8 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | -149.8 | 169.5 | 111.2 | 39.2 | -24.3 | 0 | 0 | 0 | 116.8 | |||||
| 1373 | N | 35.5 | Very low | 31.5 | Very low | 140 Ų | 140 | 144.4 Ų | 144.4 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | trans | 71.2 | 125.7 | 161.7 | -53.3 | -32.2 | 0 | 0 | 0 | 117.4 | ||||
| 1374 | Q | 29.1 | Very low | 31.4 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | cis | 79.3 | 108.8 | 33.1 | -62.4 | -159.2 | 6.9 | 0 | 0 | 117 | ||||
| 1375 | R | 31.9 | Very low | 31.2 | Very low | 237 Ų | 237 | 142.7 Ų | 142.7 | 89% | 0.894 | 76% | 0.761 | S | S | * | * | trans | -175.4 | 117.3 | 132.5 | -94.6 | 178 | -173.1 | -140.4 | 0.4 | 105.9 | ||||
| 1376 | S | 28.1 | Very low | 31.2 | Very low | 94 Ų | 94 | 148 Ų | 148 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | cis | 87.1 | 94.9 | 49.9 | 77.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1377 | I | 31.9 | Very low | 31.5 | Very low | 161 Ų | 161 | 143.6 Ų | 143.6 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | 46.7 | 117.7 | 129.8 | -62.4 | 172.6 | 0 | 0 | 0 | 116.2 | |||||
| 1378 | P | 29.7 | Very low | 30.9 | Very low | 124 Ų | 124 | 146 Ų | 146 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | -143.2 | 156.7 | 82.9 | 39.5 | -24.7 | 0 | 0 | 0 | 117.6 | |||||
| 1379 | S | 26.7 | Very low | 31.1 | Very low | 111 Ų | 111 | 143.5 Ų | 143.5 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -77.3 | 133.3 | 167 | 51.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1380 | R | 30.2 | Very low | 30.8 | Very low | 258 Ų | 258 | 147.4 Ų | 147.4 | 97% | 0.974 | 79% | 0.787 | S | S | * | * | trans | -153.6 | 149.1 | 158 | -114.2 | 177.3 | -173.6 | -140.8 | 0.2 | 113.2 | ||||
| 1381 | L | 29.1 | Very low | 30.7 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -72.3 | 158.3 | 174.6 | -71 | 153 | 0 | 0 | 0 | 110.5 | ||||
| 1382 | P | 32.3 | Very low | 30.3 | Very low | 125 Ų | 125 | 144 Ų | 144 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | -129.3 | 161.1 | 57.9 | 38.4 | -24.1 | 0 | 0 | 0 | 114.5 | |||||
| 1383 | S | 26.4 | Very low | 30.3 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | cis | 84.5 | 104.4 | 14.5 | -155.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1384 | A | 27.6 | Very low | 30.3 | Very low | 91 Ų | 91 | 142.3 Ų | 142.3 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | 55.1 | 120.7 | 149.9 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1385 | S | 29.1 | Very low | 30.6 | Very low | 96 Ų | 96 | 139.4 Ų | 139.4 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | -162.2 | 123.4 | 128.6 | -85.6 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 1386 | K | 28.8 | Very low | 30.7 | Very low | 191 Ų | 191 | 135.1 Ų | 135.1 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | 72 | 137.4 | 90.3 | -65.5 | 167.5 | -169.5 | 169.1 | 0 | 113.1 | |||||
| 1387 | S | 32.6 | Very low | 30.9 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | cis | -168.6 | 155.6 | -2.8 | 39.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1388 | N | 25.4 | Very low | 30.8 | Very low | 154 Ų | 154 | 131 Ų | 131 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | trans | -64.8 | 156.3 | 163.9 | -81.7 | -17.4 | 0 | 0 | 0 | 111.8 | ||||
| 1389 | P | 35.3 | Very low | 30.8 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 72% | 0.721 | 72% | 0.723 | S | S | * | * | -123.9 | 157.3 | 96.5 | 41.5 | -36.5 | 0 | 0 | 0 | 110.8 | |||||
| 1390 | R | 29.2 | Very low | 31 | Very low | 233 Ų | 233 | 128.9 Ų | 128.9 | 88% | 0.879 | 72% | 0.723 | S | S | * | * | 54.4 | 131.1 | 59.1 | -74.3 | -173.2 | 173.1 | -169.9 | -2.7 | 112.3 | |||||
| 1391 | S | 31.8 | Very low | 30.8 | Very low | 92 Ų | 92 | 122 Ų | 122 | 64% | 0.643 | 72% | 0.715 | S | S | * | * | cis | -168.5 | 159.1 | 4.8 | 44.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1392 | N | 32.2 | Very low | 30.7 | Very low | 166 Ų | 166 | 118.7 Ų | 118.7 | 89% | 0.888 | 70% | 0.7 | S | S | * | * | trans | 71.3 | 145.8 | 170.6 | -47.5 | -10.1 | 0 | 0 | 0 | 115.2 | ||||
| 1393 | G | 34.4 | Very low | 30.5 | Very low | 67 Ų | 67 | 118.7 Ų | 118.7 | 69% | 0.691 | 70% | 0.702 | S | S | * | * | cis | -177.4 | 178.2 | -5.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1394 | D | 35.7 | Very low | 30.4 | Very low | 143 Ų | 143 | 121.8 Ų | 121.8 | 77% | 0.765 | 71% | 0.71 | S | S | * | * | trans | 71.8 | 90.4 | 161.2 | -63.3 | -49.6 | 0 | 0 | 0 | 122.7 | ||||
| 1395 | N | 33.7 | Very low | 30.4 | Very low | 121 Ų | 121 | 122 Ų | 122 | 65% | 0.647 | 71% | 0.707 | S | S | * | * | 80.9 | 141.4 | 121.3 | -53.2 | -42.1 | 0 | 0 | 0 | 123.4 | |||||
| 1396 | N | 34.2 | Very low | 30.3 | Very low | 146 Ų | 146 | 122.5 Ų | 122.5 | 78% | 0.781 | 71% | 0.705 | S | S | * | * | trans | 72.2 | 93.4 | 159.2 | -54.9 | -26 | 0 | 0 | 0 | 117 | ||||
| 1397 | S | 31.7 | Very low | 30.1 | Very low | 72 Ų | 72 | 120.6 Ų | 120.6 | 50% | 0.503 | 70% | 0.699 | S | S | . | * | 92 | 121.9 | 69.7 | 69.6 | 0 | 0 | 0 | 0 | 115.3 | T1408 | S1397-T1408 WeakPolarHBondContact CA-OG1 3.22Å; S1397-T1408 PolarHBondContact N-OG1 3.45Å | |||
| 1398 | E | 29.9 | Very low | 29.8 | Very low | 98 Ų | 98 | 119.2 Ų | 119.2 | 46% | 0.458 | 69% | 0.686 | S | S | . | * | trans | 88.3 | 69.2 | 164 | -50.1 | -146.6 | 125.6 | 0 | 0 | 116.1 | T1408 L1410 | E1398-T1408 PolarHBondContact N-OG1 2.94Å; E1398-L1410 HydrophobicContact CB-CD1 3.92Å; E1398-L1410 HydrophobicContact CB-CD2 3.97Å; E1398-L1410 HydrophobicContact CB-CG 3.72Å; E1398-L1410 HydrophobicContact CG-CD2 4.15Å; E1398-L1410 HydrophobicContact CG-CG 3.92Å; E1398-L1410 WeakPolarHBondContact OE1-CD2 3.23Å; E1398-L1410 WeakPolarHBondContact OE1-CG 3.11Å; E1398-L1410 WeakPolarHBondContact OE2-CD2 3.35Å | ||
| 1399 | A | 30.7 | Very low | 30 | Very low | 45 Ų | 45 | 114.2 Ų | 114.2 | 37% | 0.372 | 67% | 0.672 | S | S | . | * | trans | -83.9 | 151.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | E1407 | A1399-E1407 VanDerWaalsContact CB-O 3.31Å; A1399-E1407 WeakPolarHBondContact CB-O 3.44Å | ||
| 1400 | N | 30.2 | Very low | 29.6 | Very low | 145 Ų | 145 | 114.2 Ų | 114.2 | 78% | 0.775 | 67% | 0.665 | S | S | * | * | trans | -143.2 | 157.4 | 170.9 | -156.9 | -10.2 | 0 | 0 | 0 | 110.4 | ||||
| 1401 | S | 27.4 | Very low | 29.5 | Very low | 113 Ų | 113 | 109.5 Ų | 109.5 | 79% | 0.79 | 66% | 0.656 | S | S | * | * | trans | 47 | 72.9 | 174.9 | 62 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1402 | V | 26.8 | Very low | 29.3 | Very low | 80 Ų | 80 | 113.6 Ų | 113.6 | 49% | 0.485 | 66% | 0.664 | S | S | . | * | trans | -130.2 | 101.2 | 173.8 | -166.3 | 0 | 0 | 0 | 0 | 114.1 | L1404 S1405 | V1402-L1404 WeakPolarHBondContact CG1-O 3.49Å; V1402-S1405 WeakPolarHBondContact CG1-O 3.35Å | ||
| 1403 | C | 27.2 | Very low | 29.3 | Very low | 125 Ų | 125 | 110.9 Ų | 110.9 | 85% | 0.845 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -74.5 | 128 | 135.4 | -69.4 | 0 | 0 | 0 | 0 | 107.1 | ||
| 1404 | L | 25.1 | Very low | 29 | Very low | 161 Ų | 161 | 118.2 Ų | 118.2 | 84% | 0.843 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 72.4 | 90.1 | 178.8 | -53.3 | 159.2 | 0 | 0 | 0 | 116.6 | V1402 | V1402-L1404 WeakPolarHBondContact CG1-O 3.49Š|
| 1405 | S | 26.8 | Very low | 28.6 | Very low | 97 Ų | 97 | 117 Ų | 117 | 68% | 0.678 | 66% | 0.661 | S | S | * | * | trans | 103.8 | 172.6 | 159 | -40.3 | 0 | 0 | 0 | 0 | 119.4 | V1402 | V1402-S1405 WeakPolarHBondContact CG1-O 3.35Š| ||
| 1406 | T | 26.8 | Very low | 28.3 | Very low | 105 Ų | 105 | 116.4 Ų | 116.4 | 64% | 0.644 | 66% | 0.662 | S | S | * | * | trans | 62 | 98.1 | 152.2 | -35.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1407 | E | 25.9 | Very low | 28.1 | Very low | 151 Ų | 151 | 116.5 Ų | 116.5 | 71% | 0.706 | 66% | 0.662 | S | S | * | * | trans | 38.8 | 147.9 | 131.6 | -51.1 | -164.9 | 122.9 | 0 | 0 | 125.4 | A1399 | A1399-E1407 VanDerWaalsContact CB-O 3.31Å; A1399-E1407 WeakPolarHBondContact CB-O 3.44Å | ||
| 1408 | T | 26.4 | Very low | 28 | Very low | 78 Ų | 78 | 117.2 Ų | 117.2 | 48% | 0.479 | 67% | 0.667 | S | S | . | * | trans | 67.8 | 146.6 | 160.2 | 65 | 0 | 0 | 0 | 0 | 119.8 | S1397 E1398 | S1397-T1408 WeakPolarHBondContact CA-OG1 3.22Å; S1397-T1408 PolarHBondContact N-OG1 3.45Å; E1398-T1408 PolarHBondContact N-OG1 2.94Å | ||
| 1409 | G | 29.6 | Very low | 28.1 | Very low | 50 Ų | 50 | 120.3 Ų | 120.3 | 52% | 0.515 | 68% | 0.681 | S | S | . | * | trans | -123.1 | 179.1 | -174 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1410 | L | 25.1 | Very low | 27.9 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 58% | 0.576 | 70% | 0.703 | S | S | * | * | trans | -127.9 | 121.7 | 174.2 | -69.5 | 117.9 | 0 | 0 | 0 | 106.6 | E1398 | E1398-L1410 HydrophobicContact CB-CD1 3.92Å; E1398-L1410 HydrophobicContact CB-CD2 3.97Å; E1398-L1410 HydrophobicContact CB-CG 3.72Å; E1398-L1410 HydrophobicContact CG-CD2 4.15Å; E1398-L1410 HydrophobicContact CG-CG 3.92Å; E1398-L1410 WeakPolarHBondContact OE1-CD2 3.23Å; E1398-L1410 WeakPolarHBondContact OE1-CG 3.11Å; E1398-L1410 WeakPolarHBondContact OE2-CD2 3.35Å | ||
| 1411 | I | 27.4 | Very low | 28 | Very low | 134 Ų | 134 | 127.5 Ų | 127.5 | 69% | 0.687 | 71% | 0.708 | S | S | * | * | cis | 69.2 | 114.8 | 36.3 | -55.2 | -173.5 | 0 | 0 | 0 | 113.3 | P1413 | I1411-P1413 WeakPolarHBondContact O-CD 3.04Š| ||
| 1412 | H | 29 | Very low | 28.1 | Very low | 178 Ų | 178 | 129.9 Ų | 129.9 | 82% | 0.824 | 71% | 0.71 | S | S | * | * | trans | -64.5 | 121.7 | 165.5 | -91.7 | -81.6 | 0 | 0 | 0 | 109.6 | ||||
| 1413 | P | 31.5 | Very low | 28 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 71% | 0.714 | 72% | 0.723 | S | S | * | * | trans | -71 | 131.1 | 158.1 | 29.8 | -31.6 | 0 | 0 | 0 | 109.2 | I1411 | I1411-P1413 WeakPolarHBondContact O-CD 3.04Š| ||
| 1414 | R | 26.9 | Very low | 28 | Very low | 220 Ų | 220 | 131.4 Ų | 131.4 | 83% | 0.83 | 71% | 0.714 | S | S | * | * | trans | 75.6 | 96.2 | 167.2 | -66.1 | 177.8 | -177.5 | 175.1 | 1.2 | 115.3 | ||||
| 1415 | T | 27.5 | Very low | 28.1 | Very low | 117 Ų | 117 | 133 Ų | 133 | 72% | 0.718 | 72% | 0.718 | S | S | * | * | 73.9 | 133.1 | 80.6 | 61.9 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1416 | T | 28.4 | Very low | 28.1 | Very low | 110 Ų | 110 | 132 Ų | 132 | 68% | 0.675 | 72% | 0.716 | S | S | * | * | cis | -161.9 | 156.9 | 13 | -1.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 1417 | N | 28.8 | Very low | 28.2 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | trans | 66.6 | 146.7 | 160.9 | -56.1 | -4.6 | 0 | 0 | 0 | 116.9 | ||||
| 1418 | S | 29.8 | Very low | 28.6 | Very low | 86 Ų | 86 | 131.6 Ų | 131.6 | 60% | 0.601 | 72% | 0.722 | S | S | * | * | cis | -158.5 | 171 | -21.3 | 52.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1419 | E | 32.4 | Very low | 28.7 | Very low | 163 Ų | 163 | 138.1 Ų | 138.1 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | trans | 55 | 96.8 | 153.3 | -68.6 | 147.8 | 130.2 | 0 | 0 | 119.3 | ||||
| 1420 | N | 26.2 | Very low | 28.4 | Very low | 153 Ų | 153 | 142 Ų | 142 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | 18.1 | 113 | 115.1 | -60.7 | -26.3 | 0 | 0 | 0 | 116.8 | |||||
| 1421 | Q | 32.2 | Very low | 28.5 | Very low | 189 Ų | 189 | 140 Ų | 140 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | -169.9 | 145.4 | 91.6 | -98.1 | -177.3 | 36.9 | 0 | 0 | 112.5 | |||||
| 1422 | I | 29.6 | Very low | 28.8 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | -94.3 | 114.5 | 168.6 | -60.7 | 165.4 | 0 | 0 | 0 | 107.7 | ||||
| 1423 | N | 25 | Very low | 28.7 | Very low | 140 Ų | 140 | 146.1 Ų | 146.1 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | trans | -164.3 | 127 | 137.8 | -124.5 | -37.3 | 0 | 0 | 0 | 116.4 | ||||
| 1424 | S | 27.4 | Very low | 28.8 | Very low | 96 Ų | 96 | 149.5 Ų | 149.5 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | trans | 59.8 | 162.2 | 136.9 | -73 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1425 | Q | 27.4 | Very low | 28.8 | Very low | 195 Ų | 195 | 145.7 Ų | 145.7 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | trans | 70.5 | 141.5 | 172.6 | -56.9 | -166.3 | 26 | 0 | 0 | 116 | ||||
| 1426 | A | 27 | Very low | 28.9 | Very low | 77 Ų | 77 | 144.3 Ų | 144.3 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | cis | -161.5 | 166.3 | -14.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1427 | V | 27.9 | Very low | 29.1 | Very low | 115 Ų | 115 | 148.6 Ų | 148.6 | 70% | 0.697 | 79% | 0.786 | S | S | * | * | trans | 34 | 116.6 | 141.5 | 178.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1428 | V | 35.2 | Very low | 29.1 | Very low | 131 Ų | 131 | 145.6 Ų | 145.6 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | -145.3 | 114.2 | 74.7 | 163.1 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 1429 | R | 27.8 | Very low | 29 | Very low | 215 Ų | 215 | 148.9 Ų | 148.9 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | 58.6 | 102.4 | 83.1 | -88.1 | -172.6 | 171.7 | -177.8 | -1.2 | 116.7 | |||||
| 1430 | S | 24.9 | Very low | 29 | Very low | 131 Ų | 131 | 148 Ų | 148 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | trans | 55.6 | 137.1 | 130.7 | -164.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1431 | G | 26 | Very low | 29.2 | Very low | 69 Ų | 69 | 152.3 Ų | 152.3 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | 157.9 | 115.5 | 149.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1432 | R | 34.6 | Very low | 29.3 | Very low | 242 Ų | 242 | 155 Ų | 155 | 91% | 0.913 | 80% | 0.795 | S | S | * | * | trans | -78.4 | 124.1 | 163.6 | -70 | 170.4 | 169.8 | 164.7 | -5.3 | 110.8 | ||||
| 1433 | F | 26.4 | Very low | 29.3 | Very low | 198 Ų | 198 | 152.3 Ų | 152.3 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | trans | -151 | 137.8 | 149.5 | -75.3 | -71.6 | 0 | 0 | 0 | 106.9 | ||||
| 1434 | K | 32.3 | Very low | 29.9 | Very low | 182 Ų | 182 | 153.6 Ų | 153.6 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | cis | 77.4 | 122.3 | 26.4 | -138.2 | -171.6 | -174.8 | -168.8 | 0 | 114.4 | ||||
| 1435 | N | 27.1 | Very low | 30.2 | Very low | 139 Ų | 139 | 152.8 Ų | 152.8 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | trans | 75 | 115.1 | 172.5 | -66.2 | 10.7 | 0 | 0 | 0 | 120.2 | ||||
| 1436 | A | 29.6 | Very low | 30.5 | Very low | 89 Ų | 89 | 147.3 Ų | 147.3 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | trans | 29.3 | 123.1 | 132.9 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1437 | F | 33 | Very low | 30.8 | Very low | 199 Ų | 199 | 149.7 Ų | 149.7 | 87% | 0.873 | 81% | 0.812 | S | S | * | * | trans | -141.2 | 131.1 | 134.6 | -67.8 | -80.8 | 0 | 0 | 0 | 106.6 | ||||
| 1438 | S | 28.4 | Very low | 31.1 | Very low | 86 Ų | 86 | 148 Ų | 148 | 60% | 0.601 | 82% | 0.818 | S | S | * | * | cis | 80 | 119.2 | 31.6 | 91 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1439 | N | 29.2 | Very low | 30.9 | Very low | 154 Ų | 154 | 145.5 Ų | 145.5 | 82% | 0.824 | 82% | 0.818 | S | S | * | * | trans | 57.7 | 116.2 | 154.4 | -59.1 | -32.2 | 0 | 0 | 0 | 119.7 | ||||
| 1440 | L | 31.7 | Very low | 31.2 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | trans | -128.3 | 76.8 | 152.8 | -149.5 | 80.2 | 0 | 0 | 0 | 110.5 | ||||
| 1441 | R | 30.2 | Very low | 31.6 | Very low | 243 Ų | 243 | 137.9 Ų | 137.9 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 139.4 | 165 | -113 | -175.2 | 179.5 | -161.2 | 0.9 | 108.3 | ||
| 1442 | R | 33.5 | Very low | 31.8 | Very low | 244 Ų | 244 | 142.6 Ų | 142.6 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 145.4 | 162.9 | -76.3 | -167.6 | 177.3 | -144.4 | 2.1 | 109.8 | ||
| 1443 | S | 31.3 | Very low | 31.8 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 152.2 | -178.3 | 50.6 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1444 | N | 36.2 | Very low | 31.9 | Very low | 167 Ų | 167 | 131.8 Ų | 131.8 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | -165.5 | 139.4 | 135.5 | -109.5 | 7.9 | 0 | 0 | 0 | 111.7 | ||||
| 1445 | G | 33.8 | Very low | 31.7 | Very low | 78 Ų | 78 | 132.7 Ų | 132.7 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 88.1 | 71.5 | 142.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1446 | G | 34.2 | Very low | 31.8 | Very low | 80 Ų | 80 | 131.4 Ų | 131.4 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | 67 | 178.4 | 146.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1447 | S | 33.4 | Very low | 31.9 | Very low | 127 Ų | 127 | 134.9 Ų | 134.9 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | cis | -160.5 | 143.5 | -22.9 | -162.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1448 | G | 33.3 | Very low | 31.7 | Very low | 80 Ų | 80 | 131.3 Ų | 131.3 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | 73.5 | 153.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1449 | G | 32.5 | Very low | 31.6 | Very low | 78 Ų | 78 | 138 Ų | 138 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | cis | 171.3 | 130.7 | -9.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1450 | G | 33 | Very low | 31.7 | Very low | 75 Ų | 75 | 136 Ų | 136 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | 71.1 | 159.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1451 | S | 33.3 | Very low | 31.5 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | cis | -151.3 | 127.9 | -18.9 | -94.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1452 | H | 30.4 | Very low | 31.4 | Very low | 168 Ų | 168 | 131.3 Ų | 131.3 | 78% | 0.778 | 80% | 0.798 | S | S | * | * | 83 | 158.7 | 80.7 | -127.2 | -95 | 0 | 0 | 0 | 113.5 | |||||
| 1453 | V | 34.9 | Very low | 31.1 | Very low | 130 Ų | 130 | 126.1 Ų | 126.1 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | trans | 71.7 | 107.1 | -174.8 | -165.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1454 | S | 28.4 | Very low | 31.1 | Very low | 82 Ų | 82 | 126 Ų | 126 | 57% | 0.573 | 78% | 0.784 | S | S | * | * | cis | 110.1 | 128.5 | 8.9 | -56.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1455 | K | 28.7 | Very low | 31 | Very low | 202 Ų | 202 | 123.6 Ų | 123.6 | 88% | 0.878 | 78% | 0.777 | S | S | * | * | trans | 70.7 | 159.1 | 164.9 | -53.1 | 163.5 | -177.8 | 177.4 | 0 | 113.9 | ||||
| 1456 | S | 29.9 | Very low | 30.7 | Very low | 111 Ų | 111 | 124.1 Ų | 124.1 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | cis | -139 | 157.2 | 11.9 | -56.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1457 | N | 30.5 | Very low | 30.5 | Very low | 163 Ų | 163 | 127.1 Ų | 127.1 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | trans | -74.1 | 146.4 | 165.1 | -67.8 | -34.1 | 0 | 0 | 0 | 111.9 | ||||
| 1458 | T | 29.2 | Very low | 30.2 | Very low | 124 Ų | 124 | 126.1 Ų | 126.1 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | trans | -150.2 | 127.4 | 147.4 | 12.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1459 | R | 26.1 | Very low | 29.9 | Very low | 226 Ų | 226 | 126.8 Ų | 126.8 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | 49.6 | 124.1 | 94.5 | -63.2 | -175.6 | 172 | -180 | -3.7 | 111.5 | |||||
| 1460 | T | 31.9 | Very low | 29.6 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 68% | 0.681 | 75% | 0.747 | S | S | * | * | cis | -156.1 | 128.6 | 44.8 | -62.9 | 0 | 0 | 0 | 0 | 107.1 | L1462 | T1460-L1462 HydrophobicContact CG2-CD1 3.83Š| ||
| 1461 | L | 26.3 | Very low | 29.2 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 80% | 0.801 | 75% | 0.746 | S | S | * | * | 59.7 | 156.8 | 81.9 | -77.6 | 171.3 | 0 | 0 | 0 | 115.3 | |||||
| 1462 | L | 28.9 | Very low | 28.9 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 73% | 0.728 | 74% | 0.743 | S | S | * | * | trans | 70.4 | 139.4 | -172.3 | -57.2 | 94.8 | 0 | 0 | 0 | 114.6 | T1460 | T1460-L1462 HydrophobicContact CG2-CD1 3.83Š| ||
| 1463 | N | 28.1 | Very low | 28.6 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | cis | -149.6 | 162.3 | -10.1 | -119.5 | 5 | 0 | 0 | 0 | 114 | ||||
| 1464 | T | 29.8 | Very low | 28.3 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 65% | 0.65 | 73% | 0.731 | S | S | * | * | trans | -32.5 | -178.5 | 160.7 | 46.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1465 | P | 34 | Very low | 28.3 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | cis | -125 | -160.2 | -11.5 | 15.9 | 10.5 | 0 | 0 | 0 | 111.7 | ||||
| 1466 | S | 28.3 | Very low | 28.4 | Very low | 88 Ų | 88 | 129 Ų | 129 | 62% | 0.615 | 73% | 0.726 | S | S | * | * | cis | 178.3 | 170.6 | -48.8 | -74.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1467 | N | 29.5 | Very low | 28.4 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | trans | 72.6 | 137 | 167.6 | -54.7 | -11.8 | 0 | 0 | 0 | 115.3 | ||||
| 1468 | S | 27.2 | Very low | 28.5 | Very low | 105 Ų | 105 | 126.4 Ų | 126.4 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | cis | 71.4 | 146.1 | 39.4 | 89.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1469 | S | 27 | Very low | 28.5 | Very low | 94 Ų | 94 | 129.5 Ų | 129.5 | 66% | 0.657 | 72% | 0.723 | S | S | * | * | cis | -147.1 | 154.6 | 18.7 | 70.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1470 | I | 25.6 | Very low | 28.8 | Very low | 144 Ų | 144 | 125.3 Ų | 125.3 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | 64 | 122.8 | 96.4 | -55.4 | 176.7 | 0 | 0 | 0 | 115.8 | |||||
| 1471 | L | 25.4 | Very low | 28.7 | Very low | 142 Ų | 142 | 125.4 Ų | 125.4 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | trans | 34.1 | 118.8 | 154.4 | -57.2 | 166 | 0 | 0 | 0 | 120.3 | ||||
| 1472 | N | 26.1 | Very low | 28.8 | Very low | 136 Ų | 136 | 124.1 Ų | 124.1 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | 176.2 | 132.7 | 96.3 | -87.8 | -58.7 | 0 | 0 | 0 | 108.2 | |||||
| 1473 | N | 25.9 | Very low | 28.8 | Very low | 133 Ų | 133 | 124.9 Ų | 124.9 | 71% | 0.711 | 71% | 0.71 | S | S | * | * | 77.4 | 140.9 | 53.7 | -168.3 | 22.6 | 0 | 0 | 0 | 112.6 | |||||
| 1474 | S | 28.5 | Very low | 28.9 | Very low | 86 Ų | 86 | 122.8 Ų | 122.8 | 60% | 0.601 | 71% | 0.706 | S | S | * | * | trans | 69.2 | 143.5 | 178.9 | -63.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1475 | N | 28.1 | Very low | 28.8 | Very low | 127 Ų | 127 | 125.8 Ų | 125.8 | 68% | 0.679 | 71% | 0.712 | S | S | * | * | cis | -165.4 | 170.6 | -14 | -116.6 | -17.1 | 0 | 0 | 0 | 111 | ||||
| 1476 | N | 29.9 | Very low | 28.7 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 68% | 0.679 | 72% | 0.717 | S | S | * | * | trans | 69 | 156.5 | 158.4 | -57.1 | -25.1 | 0 | 0 | 0 | 117.5 | ||||
| 1477 | N | 30.1 | Very low | 28.7 | Very low | 150 Ų | 150 | 129.6 Ų | 129.6 | 80% | 0.802 | 72% | 0.721 | S | S | * | * | cis | -165.5 | 167.6 | -30.1 | -99.6 | -28 | 0 | 0 | 0 | 107.5 | ||||
| 1478 | G | 32 | Very low | 28.9 | Very low | 69 Ų | 69 | 129.9 Ų | 129.9 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | trans | 99.5 | 71.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1479 | K | 30.4 | Very low | 29 | Very low | 188 Ų | 188 | 128.8 Ų | 128.8 | 82% | 0.817 | 71% | 0.71 | S | S | * | * | cis | 72.5 | 136.6 | 48.5 | -160.2 | -167.6 | -179.3 | 179.6 | 0 | 111.8 | ||||
| 1480 | L | 32.3 | Very low | 29.2 | Very low | 138 Ų | 138 | 132 Ų | 132 | 72% | 0.723 | 71% | 0.714 | S | S | * | * | trans | 81.8 | 143.4 | 175.5 | -50.3 | 178.1 | 0 | 0 | 0 | 116.6 | ||||
| 1481 | N | 29 | Very low | 29.3 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 60% | 0.604 | 72% | 0.717 | S | S | * | * | cis | 176.3 | 141.1 | -43.6 | -107.3 | 16.4 | 0 | 0 | 0 | 108.5 | ||||
| 1482 | N | 28.3 | Very low | 29.5 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 68% | 0.679 | 72% | 0.723 | S | S | * | * | trans | 62.4 | 170.6 | 146.1 | -55 | -11.6 | 0 | 0 | 0 | 118.9 | ||||
| 1483 | I | 29.8 | Very low | 29.6 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 80% | 0.795 | 72% | 0.718 | S | S | * | * | trans | 66 | 118.6 | 159.3 | -61 | 143.6 | 0 | 0 | 0 | 115.2 | ||||
| 1484 | S | 28.9 | Very low | 29.7 | Very low | 90 Ų | 90 | 137.7 Ų | 137.7 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | cis | -159 | 162.9 | -8.3 | -117.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1485 | Q | 27.7 | Very low | 29.7 | Very low | 169 Ų | 169 | 139.2 Ų | 139.2 | 79% | 0.79 | 73% | 0.728 | S | S | * | * | trans | -19.6 | 127.9 | 138.3 | -54.3 | 166.4 | 17 | 0 | 0 | 115.1 | ||||
| 1486 | M | 31.6 | Very low | 29.7 | Very low | 172 Ų | 172 | 139.6 Ų | 139.6 | 85% | 0.847 | 74% | 0.736 | S | S | * | * | 170.2 | 108.2 | 129.5 | -91.3 | 172.4 | 176.9 | 0 | 0 | 105.8 | |||||
| 1487 | T | 29.1 | Very low | 29.6 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 69% | 0.693 | 74% | 0.741 | S | S | * | * | 69.6 | 159.9 | 66.6 | 73.1 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1488 | E | 33.1 | Very low | 29.5 | Very low | 150 Ų | 150 | 138.5 Ų | 138.5 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | trans | 61.5 | 112.4 | -168.4 | -74 | 7.2 | -88.5 | 0 | 0 | 117 | ||||
| 1489 | S | 29.9 | Very low | 29.4 | Very low | 82 Ų | 82 | 140 Ų | 140 | 57% | 0.573 | 74% | 0.744 | S | S | * | * | 77.2 | 104.4 | 59.2 | -67.7 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1490 | Q | 30.5 | Very low | 29.3 | Very low | 160 Ų | 160 | 134.8 Ų | 134.8 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | 102.9 | 146.3 | 71.4 | -95.3 | -160.7 | 44.6 | 0 | 0 | 110.1 | |||||
| 1491 | R | 29.3 | Very low | 29.1 | Very low | 212 Ų | 212 | 133.9 Ų | 133.9 | 80% | 0.8 | 74% | 0.737 | S | S | * | * | trans | 68.3 | 119.3 | 171.6 | -64.4 | 174.2 | 174.5 | -131.7 | -3.3 | 114.6 | ||||
| 1492 | R | 28.3 | Very low | 29.1 | Very low | 229 Ų | 229 | 132.9 Ų | 132.9 | 86% | 0.864 | 74% | 0.739 | S | S | * | * | cis | 79.9 | 150.1 | 44.1 | -167.9 | -162.9 | -89.8 | -147.7 | -2.9 | 111.4 | ||||
| 1493 | T | 28.4 | Very low | 29.3 | Very low | 103 Ų | 103 | 135.6 Ų | 135.6 | 63% | 0.632 | 74% | 0.74 | S | S | * | * | trans | 76.1 | 113.4 | 167.3 | 27.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1494 | T | 27.9 | Very low | 29.4 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | 67 | 157.6 | 145.1 | 57.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1495 | T | 28.8 | Very low | 29.6 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | cis | -135.8 | 162.3 | 15.5 | 15 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1496 | T | 28.3 | Very low | 29.8 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 83% | 0.834 | 73% | 0.733 | S | S | * | * | trans | -67.1 | 120.9 | 150.8 | 43.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1497 | T | 28 | Very low | 30 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | trans | -147.2 | 146.8 | 146.6 | -34.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1498 | T | 28.3 | Very low | 30.3 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | trans | -80.4 | 178.2 | 166.7 | 42.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1499 | A | 28.7 | Very low | 30.4 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | 69.5 | 153.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1500 | A | 28.3 | Very low | 30.6 | Very low | 80 Ų | 80 | 133.8 Ų | 133.8 | 66% | 0.661 | 74% | 0.739 | S | S | * | * | cis | -169.9 | 156.1 | -30 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1501 | T | 28.8 | Very low | 30.8 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | trans | 56 | 131.3 | 156.4 | 38.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1502 | S | 29.4 | Very low | 31.5 | Very low | 93 Ų | 93 | 128.1 Ų | 128.1 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | trans | 80.2 | 141.9 | 140.1 | -62.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1503 | R | 31.6 | Very low | 31.9 | Very low | 183 Ų | 183 | 122.8 Ų | 122.8 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | cis | -163.8 | 146.5 | -6.6 | -117.8 | 168.4 | -166.7 | -158 | 9.2 | 110.3 | ||||
| 1504 | Q | 32.1 | Very low | 32.2 | Very low | 145 Ų | 145 | 127 Ų | 127 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | trans | 62.6 | 169.4 | 143.4 | -76 | 172.1 | -52.5 | 0 | 0 | 118.3 | ||||
| 1505 | L | 34.2 | Very low | 32.5 | Very low | 124 Ų | 124 | 125.3 Ų | 125.3 | 65% | 0.649 | 73% | 0.731 | S | S | * | * | cis | -116.8 | 151 | -24.9 | -91.9 | 117.5 | 0 | 0 | 0 | 106.3 | ||||
| 1506 | E | 32.3 | Very low | 32.9 | Very low | 160 Ų | 160 | 127.6 Ų | 127.6 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | 54.4 | 135.8 | 76.2 | -116.4 | -171.6 | 127.4 | 0 | 0 | 113 | |||||
| 1507 | V | 33.9 | Very low | 33.2 | Very low | 109 Ų | 109 | 126.7 Ų | 126.7 | 66% | 0.661 | 72% | 0.722 | S | S | * | * | cis | -152.1 | 156.5 | 31.7 | 179.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1508 | G | 35.5 | Very low | 33.5 | Very low | 62 Ų | 62 | 127.5 Ų | 127.5 | 64% | 0.639 | 72% | 0.718 | S | S | * | * | cis | 147.6 | -174.2 | -2.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1509 | K | 35.2 | Very low | 33.8 | Very low | 204 Ų | 204 | 129.1 Ų | 129.1 | 89% | 0.887 | 71% | 0.714 | S | S | * | * | trans | 69 | 151 | 171.8 | -57.7 | 172.4 | -179.1 | 174 | 0 | 116.4 | ||||
| 1510 | A | 34.9 | Very low | 34.1 | Very low | 90 Ų | 90 | 128.5 Ų | 128.5 | 74% | 0.744 | 70% | 0.696 | S | S | * | * | cis | -160.2 | 133.2 | -16.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1511 | N | 35.1 | Very low | 34.4 | Very low | 157 Ų | 157 | 130.1 Ų | 130.1 | 84% | 0.84 | 69% | 0.688 | S | S | * | * | 69.8 | 156.6 | 82.6 | -102 | 3.2 | 0 | 0 | 0 | 116.1 | |||||
| 1512 | P | 44.6 | Very low | 35.2 | Very low | 95 Ų | 95 | 129.5 Ų | 129.5 | 62% | 0.617 | 69% | 0.686 | S | S | * | * | cis | -148.1 | -169.4 | -19.6 | 41.3 | -21 | 0 | 0 | 0 | 117.1 | ||||
| 1513 | T | 34.8 | Very low | 35.6 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 72% | 0.724 | 69% | 0.694 | S | S | * | * | trans | 71.3 | 149.6 | 154.3 | 47.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1514 | K | 34.7 | Very low | 35.9 | Very low | 191 Ų | 191 | 126.8 Ų | 126.8 | 83% | 0.83 | 70% | 0.695 | S | S | * | * | cis | -160.8 | -177.8 | 9.7 | -115.2 | 165.7 | -174.8 | 176.5 | 0 | 107.7 | ||||
| 1515 | S | 35.8 | Very low | 36.1 | Very low | 95 Ų | 95 | 127 Ų | 127 | 66% | 0.664 | 70% | 0.701 | S | S | * | * | cis | -174 | 141.6 | -6.7 | 41.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1516 | Q | 37.1 | Very low | 36.3 | Very low | 166 Ų | 166 | 125.5 Ų | 125.5 | 78% | 0.776 | 70% | 0.701 | S | S | * | * | trans | 66.4 | 151 | 137.7 | -66 | -120.3 | -3.3 | 0 | 0 | 123.7 | ||||
| 1517 | L | 33.7 | Very low | 36.6 | Very low | 117 Ų | 117 | 124.6 Ų | 124.6 | 61% | 0.613 | 70% | 0.702 | S | S | * | * | cis | -174 | 133.2 | -29.7 | -140.5 | 77.3 | 0 | 0 | 0 | 116 | ||||
| 1518 | Q | 34.9 | Very low | 36.9 | Very low | 145 Ų | 145 | 126.5 Ų | 126.5 | 68% | 0.678 | 71% | 0.706 | S | S | * | * | trans | 56.8 | 168.5 | 137.2 | -76.7 | -174.3 | 53.1 | 0 | 0 | 126 | ||||
| 1519 | K | 35.2 | Very low | 37 | Very low | 161 Ų | 161 | 127.7 Ų | 127.7 | 70% | 0.7 | 71% | 0.705 | S | S | * | * | cis | 170.8 | 176 | -25.1 | -173.5 | -178.3 | 175.3 | -178 | 0 | 114 | ||||
| 1520 | L | 34.4 | Very low | 37.1 | Very low | 85 Ų | 85 | 124.4 Ų | 124.4 | 45% | 0.445 | 70% | 0.702 | S | S | . | * | trans | 100.5 | 146.2 | 151.7 | -56.7 | 167.6 | 0 | 0 | 0 | 119 | ||||
| 1521 | K | 34.8 | Very low | 37.2 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 50% | 0.5 | 71% | 0.708 | S | S | . | * | cis | -164 | -166.4 | -10 | -122.9 | -165.8 | 168.4 | 172.9 | 0 | 111.6 | K29 I30 | K29-K1521 WeakPolarHBondContact O-CD 3.44Å; K29-K1521 WeakPolarHBondContact O-CE 3.17Å; K29-K1521 PolarHBondContact O-NZ 3.03Å; I30-K1521 PolarHBondContact O-NZ 2.88Å | ||
| 1522 | P | 45 | Very low | 37.4 | Very low | 104 Ų | 104 | 120.6 Ų | 120.6 | 68% | 0.675 | 71% | 0.709 | S | S | * | * | trans | -136.6 | -161.7 | -147.9 | 46.4 | -24.1 | 0 | 0 | 0 | 119.2 | ||||
| 1523 | S | 37 | Very low | 37 | Very low | 118 Ų | 118 | 119.5 Ų | 119.5 | 83% | 0.825 | 72% | 0.715 | S | S | * | * | trans | 88.5 | 153.8 | 157.8 | 78.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1524 | S | 38.2 | Very low | 37 | Very low | 102 Ų | 102 | 119.8 Ų | 119.8 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | cis | -148.3 | -164.9 | 5.5 | 60.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 1525 | N | 37.3 | Very low | 37.1 | Very low | 148 Ų | 148 | 116.4 Ų | 116.4 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | cis | -157.4 | -127.6 | 1.7 | -133 | 7.5 | 0 | 0 | 0 | 111.6 | ||||
| 1526 | S | 38.6 | Very low | 37.2 | Very low | 93 Ų | 93 | 115.4 Ų | 115.4 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | -150.1 | 179.1 | -108.7 | 68 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1527 | N | 37.4 | Very low | 37.2 | Very low | 142 Ų | 142 | 115 Ų | 115 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | cis | -167.4 | -177.1 | 4.5 | -158.8 | -1.4 | 0 | 0 | 0 | 111.3 | ||||
| 1528 | I | 40.2 | Very low | 37.4 | Very low | 149 Ų | 149 | 115.7 Ų | 115.7 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | trans | 73.3 | 140 | 152.8 | -76.6 | 161.2 | 0 | 0 | 0 | 120.3 | ||||
| 1529 | S | 38.4 | Very low | 37.4 | Very low | 86 Ų | 86 | 111.4 Ų | 111.4 | 60% | 0.601 | 73% | 0.733 | S | S | * | * | cis | -170.3 | 146.1 | -18.1 | -168.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1530 | T | 37.5 | Very low | 37.6 | Very low | 136 Ų | 136 | 112.7 Ų | 112.7 | 83% | 0.834 | 74% | 0.741 | S | S | * | * | trans | 54.1 | 132.5 | 143.7 | 48.4 | 0 | 0 | 0 | 0 | 127.4 | ||||
| 1531 | G | 37.6 | Very low | 37.5 | Very low | 85 Ų | 85 | 120.6 Ų | 120.6 | 88% | 0.876 | 78% | 0.775 | S | S | * | * | 111 | 139.7 | 129.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 1532 | G | 37.3 | Very low | 37.7 | Very low | 82 Ų | 82 | 120.9 Ų | 120.9 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | cis | 171 | 162.4 | -8.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1533 | G | 36.8 | Very low | 37.3 | Very low | 72 Ų | 72 | 121.7 Ų | 121.7 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | 91 | 134.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1534 | S | 35.8 | Very low | 37.3 | Very low | 124 Ų | 124 | 121.9 Ų | 121.9 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | cis | 78.8 | 140.8 | 38.8 | -63.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1535 | S | 35.9 | Very low | 37.3 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | cis | -176.2 | 158.9 | -10.6 | 49 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1536 | G | 39.2 | Very low | 37.3 | Very low | 73 Ų | 73 | 121.6 Ų | 121.6 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | 123 | 109.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1537 | N | 35.7 | Very low | 37.2 | Very low | 159 Ų | 159 | 123.5 Ų | 123.5 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | cis | 97.3 | 149.9 | 30.4 | -163.6 | 28.2 | 0 | 0 | 0 | 113.2 | ||||
| 1538 | V | 39.2 | Very low | 37.2 | Very low | 131 Ų | 131 | 122.1 Ų | 122.1 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | 69.4 | 133.3 | -167.6 | -165.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1539 | G | 34.2 | Very low | 36.9 | Very low | 55 Ų | 55 | 120.1 Ų | 120.1 | 57% | 0.567 | 82% | 0.815 | S | S | * | * | cis | 144.8 | 140.4 | -6.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1540 | H | 39.3 | Very low | 36.8 | Very low | 187 Ų | 187 | 122.9 Ų | 122.9 | 87% | 0.866 | 83% | 0.833 | S | S | * | * | trans | 50.4 | 92.9 | 171.1 | -57.6 | -85.5 | 0 | 0 | 0 | 117.1 | ||||
| 1541 | H | 33.2 | Very low | 36.7 | Very low | 251 Ų | 251 | 121.7 Ų | 121.7 | 100% | 1.162 | 83% | 0.833 | S | S | * | * | -155 | 0 | 90.6 | -136.7 | -52.1 | 0 | 0 | 0 | 113.6 |
Retrieved 1,541 of 1,541 residues in 272.2 ms
(Link to these results)