| 1 | M | 41.7 | Very low | 43.6 | Very low | 242 Ų | 242 | 141.7 Ų | 141.7 | 100% | 1.192 | 82% | 0.824 | S | S | * | * | | | | 0 | 124.8 | 0 | -66.6 | 83 | 159.3 | 0 | 0 | 108.1 | | |
| 2 | A | 36.3 | Very low | 44.1 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | | | trans | -127.5 | 89 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 3 | S | 46.8 | Very low | 44.7 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | trans | -89.2 | 132 | 165.8 | 51.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 4 | G | 36.4 | Very low | 44.3 | Very low | 71 Ų | 71 | 145.2 Ų | 145.2 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | | | trans | 174.6 | 76.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P6 | G4-P6 WeakPolarHBondContact O-CD 3.46Š|
| 5 | H | 47.8 | Very low | 44.3 | Very low | 197 Ų | 197 | 146.1 Ų | 146.1 | 91% | 0.912 | 79% | 0.792 | S | S | * | * | | | trans | -72.6 | 130.5 | 154.2 | -99.6 | -84.3 | 0 | 0 | 0 | 108 | | |
| 6 | P | 50.5 | Low | 44.6 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | | | trans | -132.7 | 122.6 | 140.1 | 27.5 | -9.8 | 0 | 0 | 0 | 112.2 | G4 | G4-P6 WeakPolarHBondContact O-CD 3.46Š|
| 7 | T | 40.3 | Very low | 44.9 | Very low | 94 Ų | 94 | 139.6 Ų | 139.6 | 58% | 0.577 | 76% | 0.762 | S | S | * | * | | | | 73.1 | 99.9 | 122.9 | -37.2 | 0 | 0 | 0 | 0 | 118.1 | K9 | T7-K9 PolarHBondContact O-N 3.29Š|
| 8 | D | 47.8 | Very low | 45.4 | Very low | 156 Ų | 156 | 137 Ų | 137 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | | | | 29.2 | 64.7 | 120.6 | -59.5 | -66.6 | 0 | 0 | 0 | 117.4 | | |
| 9 | K | 48.9 | Very low | 45.7 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | | | trans | -133.4 | 105.2 | 164.3 | -65 | -171.4 | -177.2 | -175.5 | 0 | 108.4 | T7 | T7-K9 PolarHBondContact O-N 3.29Š|
| 10 | F | 43 | Very low | 45.8 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 70% | 0.702 | 75% | 0.745 | S | S | * | * | | | trans | 95.4 | 45.3 | 170.4 | -43.3 | -53.2 | 0 | 0 | 0 | 117.9 | F12 | F10-F12 HydrophobicContact CB-CE1 4.46Å; F10-F12 AromaticContact CD1-CD1 3.62Å; F10-F12 HydrophobicContact CD1-CD1 3.62Å; F10-F12 AromaticContact CD1-CE1 3Å; F10-F12 HydrophobicContact CD1-CE1 3Å; F10-F12 AromaticContact CD1-CZ 3.53Å; F10-F12 HydrophobicContact CD1-CZ 3.53Å; F10-F12 HydrophobicContact CE1-CD1 4.33Å; F10-F12 AromaticContact CE1-CE1 3.4Å; F10-F12 HydrophobicContact CE1-CE1 3.4Å; F10-F12 AromaticContact CE1-CZ 3.88Å; F10-F12 HydrophobicContact CE1-CZ 3.88Å; F10-F12 HydrophobicContact CG-CE1 4.08Å; F10-F12 HydrophobicContact CG-CZ 4.33Å; F10-F12 PolarHBondContact O-N 3.35Å |
| 11 | S | 39.8 | Very low | 45.8 | Very low | 138 Ų | 138 | 141.7 Ų | 141.7 | 97% | 0.965 | 75% | 0.746 | S | S | * | * | | | trans | -82.5 | 41.7 | 147.6 | -94.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 12 | F | 49.6 | Very low | 45.9 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 61% | 0.61 | 71% | 0.713 | S | S | * | * | | | trans | -102.3 | 129 | 162.9 | 65.2 | -118.4 | 0 | 0 | 0 | 108.2 | F10 | F10-F12 HydrophobicContact CB-CE1 4.46Å; F10-F12 AromaticContact CD1-CD1 3.62Å; F10-F12 HydrophobicContact CD1-CD1 3.62Å; F10-F12 AromaticContact CD1-CE1 3Å; F10-F12 HydrophobicContact CD1-CE1 3Å; F10-F12 AromaticContact CD1-CZ 3.53Å; F10-F12 HydrophobicContact CD1-CZ 3.53Å; F10-F12 HydrophobicContact CE1-CD1 4.33Å; F10-F12 AromaticContact CE1-CE1 3.4Å; F10-F12 HydrophobicContact CE1-CE1 3.4Å; F10-F12 AromaticContact CE1-CZ 3.88Å; F10-F12 HydrophobicContact CE1-CZ 3.88Å; F10-F12 HydrophobicContact CG-CE1 4.08Å; F10-F12 HydrophobicContact CG-CZ 4.33Å; F10-F12 PolarHBondContact O-N 3.35Å |
| 13 | M | 52.7 | Low | 46.5 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 69% | 0.69 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 74.2 | 72.6 | 163.7 | -46.5 | -59.9 | -83 | 0 | 0 | 114.8 | | |
| 14 | Y | 38.9 | Very low | 46.6 | Very low | 195 Ų | 195 | 135 Ų | 135 | 77% | 0.765 | 68% | 0.684 | S | S | * | * | | | | 157.8 | 107 | 106.9 | -89.1 | -79.8 | 0 | 0 | 0 | 108.7 | | |
| 15 | Q | 44.5 | Very low | 47 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | | | trans | -58.3 | 129.6 | 150 | -148.9 | 99.3 | 27.5 | 0 | 0 | 105.8 | D17 | Q15-D17 VanDerWaalsContact C-N 3.26Å; Q15-D17 PolarHBondContact O-N 2.97Å |
| 16 | P | 48.9 | Very low | 46.9 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 64% | 0.643 | 65% | 0.653 | S | S | * | * | | | trans | -67.3 | 96.5 | 166.4 | 27.3 | -31.1 | 0 | 0 | 0 | 106.8 | T18 | P16-T18 PolarHBondContact O-N 3.13Å; P16-T18 PolarHBondContact O-OG1 3.01Å |
| 17 | D | 50.3 | Low | 46.9 | Very low | 83 Ų | 83 | 130 Ų | 130 | 44% | 0.444 | 65% | 0.645 | S | S | . | * | | | trans | -65.3 | 43.2 | 169.3 | -80.3 | -67.3 | 0 | 0 | 0 | 111.5 | Q15 H19 K20 R21 | Q15-D17 VanDerWaalsContact C-N 3.26Å; Q15-D17 PolarHBondContact O-N 2.97Å; D17-H19 PolarHBondContact O-N 3.14Å; D17-K20 PolarHBondContact O-N 3.02Å; D17-R21 PolarHBondContact O-N 3.25Å |
| 18 | T | 53.7 | Low | 47.4 | Very low | 92 Ų | 92 | 134.6 Ų | 134.6 | 56% | 0.564 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -60.8 | -28.9 | 179.1 | -47.7 | 0 | 0 | 0 | 0 | 110.5 | P16 F22 | P16-T18 PolarHBondContact O-N 3.13Å; P16-T18 PolarHBondContact O-OG1 3.01Å; T18-F22 VanDerWaalsContact O-CB 3.25Å; T18-F22 WeakPolarHBondContact O-CB 3.47Å; T18-F22 PolarHBondContact O-N 3.11Å |
| 19 | H | 50 | Low | 47.5 | Very low | 155 Ų | 155 | 134.8 Ų | 134.8 | 72% | 0.718 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -77 | -31.1 | -179.3 | -57.9 | -76.9 | 0 | 0 | 0 | 113.5 | D17 L23 | D17-H19 PolarHBondContact O-N 3.14Å; H19-L23 WeakPolarHBondContact O-CD1 3.13Å; H19-L23 WeakPolarHBondContact O-CG 2.99Å |
| 20 | K | 48.2 | Very low | 47.5 | Very low | 150 Ų | 150 | 129.8 Ų | 129.8 | 65% | 0.652 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -83.7 | -36 | 177.5 | -69.3 | -177 | -176.8 | 162.1 | 0 | 112.1 | D17 L23 L24 | D17-K20 PolarHBondContact O-N 3.02Å; K20-L23 PolarHBondContact O-N 3.04Å; K20-L24 WeakPolarHBondContact O-CB 3.31Å; K20-L24 PolarHBondContact O-N 3.06Å |
| 21 | R | 44.9 | Very low | 47.9 | Very low | 204 Ų | 204 | 127.6 Ų | 127.6 | 77% | 0.77 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.8 | -31.8 | 175.4 | -79.5 | -158.8 | 176.4 | -168.6 | 1.9 | 113.2 | D17 S25 | D17-R21 PolarHBondContact O-N 3.25Å; R21-S25 VanDerWaalsContact O-CB 3.23Å; R21-S25 WeakPolarHBondContact O-CB 3.47Å; R21-S25 PolarHBondContact O-N 2.97Å; R21-S25 PolarHBondContact O-OG 3.24Å |
| 22 | F | 45.7 | Very low | 48.6 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 51% | 0.509 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -70.5 | -32 | 175.5 | -171.3 | -111.7 | 0 | 0 | 0 | 112.9 | T18 S25 K26 | T18-F22 VanDerWaalsContact O-CB 3.25Å; T18-F22 WeakPolarHBondContact O-CB 3.47Å; T18-F22 PolarHBondContact O-N 3.11Å; F22-S25 PolarHBondContact O-OG 3.12Å; F22-K26 HydrophobicContact CD1-CD 4.36Å; F22-K26 HydrophobicContact CE1-CD 4.12Å; F22-K26 HydrophobicContact CZ-CD 4.3Å; F22-K26 PolarHBondContact O-N 2.99Å |
| 23 | L | 48.8 | Very low | 48.8 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 66% | 0.66 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -78 | -34.4 | 174.6 | -67.5 | 171.6 | 0 | 0 | 0 | 112.2 | H19 K20 S27 | H19-L23 WeakPolarHBondContact O-CD1 3.13Å; H19-L23 WeakPolarHBondContact O-CG 2.99Å; K20-L23 PolarHBondContact O-N 3.04Å; L23-S27 PolarHBondContact O-OG 3.41Å |
| 24 | L | 48 | Very low | 48.7 | Very low | 93 Ų | 93 | 124.9 Ų | 124.9 | 49% | 0.487 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -78.2 | -28.2 | 176.4 | -146.1 | 73.9 | 0 | 0 | 0 | 113.1 | K20 S27 R28 | K20-L24 WeakPolarHBondContact O-CB 3.31Å; K20-L24 PolarHBondContact O-N 3.06Å; L24-S27 WeakPolarHBondContact CA-OG 3.48Å; L24-S27 PolarHBondContact O-N 3.42Å; L24-S27 PolarHBondContact O-OG 3.25Å; L24-S27 VanDerWaalsContact O-OG 3.09Å; L24-R28 WeakPolarHBondContact O-CB 3.36Å; L24-R28 WeakPolarHBondContact O-CG 3.28Å; L24-R28 PolarHBondContact O-N 3.12Å |
| 25 | S | 45.4 | Very low | 49.4 | Very low | 54 Ų | 54 | 121.8 Ų | 121.8 | 38% | 0.378 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -77.7 | -31.2 | 176.4 | 66.7 | 0 | 0 | 0 | 0 | 112.8 | R21 F22 S27 R28 | R21-S25 VanDerWaalsContact O-CB 3.23Å; R21-S25 WeakPolarHBondContact O-CB 3.47Å; R21-S25 PolarHBondContact O-N 2.97Å; R21-S25 PolarHBondContact O-OG 3.24Å; F22-S25 PolarHBondContact O-OG 3.12Å; S25-S27 PolarHBondContact O-N 2.92Å; S25-R28 PolarHBondContact O-N 3.45Å |
| 26 | K | 46.1 | Very low | 50 | Low | 140 Ų | 140 | 117.7 Ų | 117.7 | 61% | 0.609 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -17.8 | 171.2 | -97.6 | 158.7 | 168.1 | 174.2 | 0 | 114.1 | F22 | F22-K26 HydrophobicContact CD1-CD 4.36Å; F22-K26 HydrophobicContact CE1-CD 4.12Å; F22-K26 HydrophobicContact CZ-CD 4.3Å; F22-K26 PolarHBondContact O-N 2.99Å |
| 27 | S | 49.3 | Very low | 49.9 | Very low | 72 Ų | 72 | 121.9 Ų | 121.9 | 50% | 0.503 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.7 | -6.4 | 176.2 | 40.8 | 0 | 0 | 0 | 0 | 113.7 | L23 L24 S25 | L23-S27 PolarHBondContact O-OG 3.41Å; L24-S27 WeakPolarHBondContact CA-OG 3.48Å; L24-S27 PolarHBondContact O-N 3.42Å; L24-S27 PolarHBondContact O-OG 3.25Å; L24-S27 VanDerWaalsContact O-OG 3.09Å; S25-S27 PolarHBondContact O-N 2.92Å |
| 28 | R | 50.8 | Low | 49.9 | Very low | 190 Ų | 190 | 121.2 Ų | 121.2 | 72% | 0.717 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -111.2 | 16.3 | -177.4 | -79.1 | -134.5 | -102.9 | -113 | 4.2 | 115.6 | L24 S25 | L24-R28 WeakPolarHBondContact O-CB 3.36Å; L24-R28 WeakPolarHBondContact O-CG 3.28Å; L24-R28 PolarHBondContact O-N 3.12Å; S25-R28 PolarHBondContact O-N 3.45Å |
| 29 | L | 50.6 | Low | 49.9 | Very low | 159 Ų | 159 | 121.7 Ų | 121.7 | 83% | 0.832 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -127.1 | 5.6 | 177.4 | -74.4 | 171.4 | 0 | 0 | 0 | 115.4 | | |
| 30 | S | 47.8 | Very low | 50.1 | Low | 61 Ų | 61 | 118.4 Ų | 118.4 | 43% | 0.427 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -111.2 | -3.7 | 176.1 | 63.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 31 | S | 52.9 | Low | 50.1 | Low | 114 Ų | 114 | 118.6 Ų | 118.6 | 80% | 0.797 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -125.3 | 55.9 | -174.7 | -159.3 | 0 | 0 | 0 | 0 | 112 | | |
| 32 | A | 53.7 | Low | 49.9 | Very low | 100 Ų | 100 | 115.8 Ų | 115.8 | 83% | 0.826 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -140.1 | -3.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 33 | M | 54.2 | Low | 50.4 | Low | 169 Ų | 169 | 113.9 Ų | 113.9 | 83% | 0.833 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -121.2 | 115.8 | 177.7 | -137.8 | 82 | 166.9 | 0 | 0 | 107.5 | | |
| 34 | N | 49.7 | Very low | 50.3 | Low | 91 Ų | 91 | 111.8 Ų | 111.8 | 49% | 0.487 | 65% | 0.645 | S | S | . | * | | | trans | 36.8 | 106.1 | 171.1 | -164.1 | -7.5 | 0 | 0 | 0 | 116.8 | V36 Y37 | N34-V36 PolarHBondContact O-N 3.36Å; N34-V36 VanDerWaalsContact OD1-CB 3.29Å; N34-V36 WeakPolarHBondContact OD1-CB 3.17Å; N34-V36 WeakPolarHBondContact OD1-CG2 3.29Å; N34-V36 PolarHBondContact OD1-N 3.34Å; N34-Y37 PolarHBondContact O-N 3.15Å; N34-Y37 VanDerWaalsContact O-N 3.08Å |
| 35 | P | 54.7 | Low | 50.5 | Low | 130 Ų | 130 | 113.1 Ų | 113.1 | 84% | 0.844 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -61.2 | -9.7 | -179.8 | 27.4 | -35.2 | 0 | 0 | 0 | 114.3 | Y37 | P35-Y37 PolarHBondContact O-N 3.19Š|
| 36 | V | 56.7 | Low | 50.2 | Low | 73 Ų | 73 | 118.8 Ų | 118.8 | 44% | 0.442 | 67% | 0.673 | S | S | . | * | G | 310 helix | trans | -67.9 | -18.6 | 175.6 | -179.4 | 0 | 0 | 0 | 0 | 112.5 | N34 | N34-V36 PolarHBondContact O-N 3.36Å; N34-V36 VanDerWaalsContact OD1-CB 3.29Å; N34-V36 WeakPolarHBondContact OD1-CB 3.17Å; N34-V36 WeakPolarHBondContact OD1-CG2 3.29Å; N34-V36 PolarHBondContact OD1-N 3.34Å |
| 37 | Y | 47.2 | Very low | 50.4 | Low | 188 Ų | 188 | 115.3 Ų | 115.3 | 74% | 0.737 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -133.9 | 61.4 | -178.9 | -62 | -73.8 | 0 | 0 | 0 | 112.7 | N34 P35 | N34-Y37 PolarHBondContact O-N 3.15Å; N34-Y37 VanDerWaalsContact O-N 3.08Å; P35-Y37 PolarHBondContact O-N 3.19Å |
| 38 | S | 49.6 | Very low | 50.1 | Low | 69 Ų | 69 | 116.7 Ų | 116.7 | 48% | 0.483 | 68% | 0.679 | S | S | . | * | | | trans | -77.3 | 145.4 | 158.9 | -167 | 0 | 0 | 0 | 0 | 109.5 | V40 | S38-V40 PolarHBondContact O-N 3.45Š|
| 39 | P | 54.4 | Low | 50.1 | Low | 102 Ų | 102 | 112.2 Ų | 112.2 | 66% | 0.662 | 67% | 0.674 | S | S | * | * | | | trans | -64.3 | 98.9 | 168.9 | 26 | -32.1 | 0 | 0 | 0 | 109.2 | Q41 | P39-Q41 PolarHBondContact O-N 3.45Š|
| 40 | V | 52.5 | Low | 50 | Low | 86 Ų | 86 | 113.3 Ų | 113.3 | 52% | 0.521 | 67% | 0.672 | S | S | . | * | | | trans | -66.1 | 118.2 | 173.9 | 178.8 | 0 | 0 | 0 | 0 | 107.3 | S38 T44 | S38-V40 PolarHBondContact O-N 3.45Å; V40-T44 WeakPolarHBondContact CG1-OG1 3.03Å |
| 41 | Q | 49 | Very low | 50 | Low | 154 Ų | 154 | 117.3 Ų | 117.3 | 72% | 0.72 | 69% | 0.689 | S | S | * | * | | | trans | -56.2 | 137.7 | 169.6 | -74.5 | -172 | -44.6 | 0 | 0 | 108.7 | P39 G43 T44 | P39-Q41 PolarHBondContact O-N 3.45Å; Q41-G43 PolarHBondContact O-N 3.1Å; Q41-T44 PolarHBondContact O-N 3.02Å; Q41-T44 PolarHBondContact O-OG1 3.15Å |
| 42 | P | 40.4 | Very low | 49.5 | Very low | 144 Ų | 144 | 119.1 Ų | 119.1 | 94% | 0.935 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.9 | 108.3 | 176.7 | -24.7 | 33.4 | 0 | 0 | 0 | 110.1 | | |
| 43 | G | 55.9 | Low | 48.8 | Very low | 77 Ų | 77 | 118.3 Ų | 118.3 | 79% | 0.794 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 124.6 | -6.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | Q41 | Q41-G43 PolarHBondContact O-N 3.1Š|
| 44 | T | 47.6 | Very low | 47.8 | Very low | 82 Ų | 82 | 119.7 Ų | 119.7 | 50% | 0.503 | 68% | 0.682 | S | S | . | * | | | trans | -87.9 | 131.1 | 173.8 | 40.9 | 0 | 0 | 0 | 0 | 112.3 | V40 Q41 Y46 | V40-T44 WeakPolarHBondContact CG1-OG1 3.03Å; Q41-T44 PolarHBondContact O-N 3.02Å; Q41-T44 PolarHBondContact O-OG1 3.15Å; T44-Y46 PolarHBondContact O-N 3.37Å |
| 45 | P | 52.2 | Low | 47.3 | Very low | 120 Ų | 120 | 122 Ų | 122 | 78% | 0.779 | 70% | 0.699 | S | S | * | * | | | trans | -63.3 | 133 | 177.3 | -18.6 | 30 | 0 | 0 | 0 | 111 | G47 | P45-G47 PolarHBondContact O-N 3.02Š|
| 46 | Y | 39.1 | Very low | 46.5 | Very low | 173 Ų | 173 | 119.8 Ų | 119.8 | 68% | 0.678 | 69% | 0.692 | S | S | * | * | | | trans | -62.1 | 101.3 | 172 | -174.1 | -96.5 | 0 | 0 | 0 | 109.2 | T44 N48 | T44-Y46 PolarHBondContact O-N 3.37Å; Y46-N48 PolarHBondContact O-N 3.1Å; Y46-N48 VanDerWaalsContact O-N 3.1Å |
| 47 | G | 49.8 | Very low | 45.3 | Very low | 67 Ų | 67 | 127.6 Ų | 127.6 | 69% | 0.691 | 72% | 0.715 | S | S | * | * | | | trans | -67.8 | 104.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | P45 P49 | P45-G47 PolarHBondContact O-N 3.02Å; G47-P49 WeakPolarHBondContact O-CD 3.41Å |
| 48 | N | 43.7 | Very low | 45.4 | Very low | 102 Ų | 102 | 124.9 Ų | 124.9 | 55% | 0.545 | 72% | 0.72 | S | S | . | * | | | trans | -64.7 | 119.1 | 174 | 179.6 | 14.9 | 0 | 0 | 0 | 110 | Y46 K50 | Y46-N48 PolarHBondContact O-N 3.1Å; Y46-N48 VanDerWaalsContact O-N 3.1Å; N48-K50 PolarHBondContact O-N 3.34Å; N48-K50 VanDerWaalsContact OD1-CG 3.31Å; N48-K50 WeakPolarHBondContact OD1-CG 3.38Å; N48-K50 PolarHBondContact OD1-N 3.31Å |
| 49 | P | 51 | Low | 44.8 | Very low | 95 Ų | 95 | 124.4 Ų | 124.4 | 62% | 0.617 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -72.8 | 8.4 | -179.3 | 28.2 | -33.4 | 0 | 0 | 0 | 114.5 | G47 N51 | G47-P49 WeakPolarHBondContact O-CD 3.41Å; P49-N51 PolarHBondContact O-N 2.97Å |
| 50 | K | 48.5 | Very low | 44.5 | Very low | 183 Ų | 183 | 123.2 Ų | 123.2 | 80% | 0.796 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -68.6 | 7.4 | 177.8 | -74.9 | -176.5 | 179.3 | -179.2 | 0 | 115.2 | N48 | N48-K50 PolarHBondContact O-N 3.34Å; N48-K50 VanDerWaalsContact OD1-CG 3.31Å; N48-K50 WeakPolarHBondContact OD1-CG 3.38Å; N48-K50 PolarHBondContact OD1-N 3.31Å |
| 51 | N | 46.8 | Very low | 43.6 | Very low | 144 Ų | 144 | 129.2 Ų | 129.2 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -137.8 | 57.2 | 177.6 | -145.5 | 7.3 | 0 | 0 | 0 | 111.9 | P49 A53 | P49-N51 PolarHBondContact O-N 2.97Å; N51-A53 VanDerWaalsContact C-N 3.31Å; N51-A53 PolarHBondContact O-N 3.11Å; N51-A53 VanDerWaalsContact O-N 3.12Å |
| 52 | M | 43.1 | Very low | 43.4 | Very low | 153 Ų | 153 | 127.3 Ų | 127.3 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | | | trans | -69 | 100 | 152.5 | -67.2 | -169.5 | -163.1 | 0 | 0 | 106.4 | F54 | M52-F54 PolarHBondContact O-N 2.95Š|
| 53 | A | 39.7 | Very low | 43.8 | Very low | 83 Ų | 83 | 125.5 Ų | 125.5 | 69% | 0.686 | 75% | 0.745 | S | S | * | * | | | trans | -61.9 | 105.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | N51 T55 | N51-A53 VanDerWaalsContact C-N 3.31Å; N51-A53 PolarHBondContact O-N 3.11Å; N51-A53 VanDerWaalsContact O-N 3.12Å; A53-T55 PolarHBondContact O-N 3.07Å |
| 54 | F | 33.1 | Very low | 43.4 | Very low | 198 Ų | 198 | 127.3 Ų | 127.3 | 87% | 0.868 | 74% | 0.741 | S | S | * | * | | | trans | -72.5 | 117.9 | 159.8 | -79.3 | -86.9 | 0 | 0 | 0 | 107.5 | M52 | M52-F54 PolarHBondContact O-N 2.95Š|
| 55 | T | 37.7 | Very low | 43.2 | Very low | 138 Ų | 138 | 127.6 Ų | 127.6 | 85% | 0.847 | 75% | 0.752 | S | S | * | * | | | trans | -62.5 | 136.1 | 172.3 | 31.1 | 0 | 0 | 0 | 0 | 110.6 | A53 | A53-T55 PolarHBondContact O-N 3.07Š|
| 56 | A | 37.9 | Very low | 42.8 | Very low | 84 Ų | 84 | 127.8 Ų | 127.8 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | | | trans | 83.2 | 95.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 57 | Y | 31.6 | Very low | 43 | Very low | 237 Ų | 237 | 125.7 Ų | 125.7 | 93% | 0.929 | 76% | 0.759 | S | S | * | * | | | | -161.7 | 138.1 | 129 | -87.3 | -70.9 | 0 | 0 | 0 | 109.2 | | |
| 58 | P | 49.6 | Very low | 42.4 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | | | trans | -88.4 | 120.5 | 176.6 | 33.8 | -26.4 | 0 | 0 | 0 | 109 | | |
| 59 | G | 36.9 | Very low | 42.3 | Very low | 59 Ų | 59 | 133 Ų | 133 | 61% | 0.608 | 77% | 0.772 | S | S | * | * | | | trans | -158.4 | 100.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y61 | G59-Y61 PolarHBondContact O-N 3.31Š|
| 60 | G | 49.4 | Very low | 41.8 | Very low | 77 Ų | 77 | 133 Ų | 133 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | | | trans | -62 | 118.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 61 | Y | 32.9 | Very low | 41.5 | Very low | 212 Ų | 212 | 131.6 Ų | 131.6 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | | | trans | -139.1 | 136.8 | 157 | -67 | -81.3 | 0 | 0 | 0 | 107.6 | G59 A63 | G59-Y61 PolarHBondContact O-N 3.31Å; Y61-A63 PolarHBondContact O-N 3.1Å |
| 62 | P | 44 | Very low | 41.6 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | | | trans | -62.4 | 130.4 | -178.9 | 24.1 | -31.8 | 0 | 0 | 0 | 110.7 | T64 | P62-T64 VanDerWaalsContact C-N 3.26Å; P62-T64 PolarHBondContact O-N 3.1Å |
| 63 | A | 48.4 | Very low | 41.2 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 88% | 0.876 | 78% | 0.782 | S | S | * | * | | | trans | -75.1 | 76.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110 | Y61 | Y61-A63 PolarHBondContact O-N 3.1Š|
| 64 | T | 47.4 | Very low | 41.2 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 71% | 0.712 | 79% | 0.793 | S | S | * | * | | | trans | -129.3 | 110.5 | 164.5 | 47.9 | 0 | 0 | 0 | 0 | 109.1 | P62 | P62-T64 VanDerWaalsContact C-N 3.26Å; P62-T64 PolarHBondContact O-N 3.1Å |
| 65 | A | 43.5 | Very low | 41.7 | Very low | 87 Ų | 87 | 138 Ų | 138 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | | | trans | -61.2 | 138 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | T67 | A65-T67 PolarHBondContact O-N 3.44Å; A65-T67 VanDerWaalsContact O-N 3.13Å |
| 66 | P | 44.5 | Very low | 41.8 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | | | trans | -60.9 | 120.3 | 171.9 | 22.2 | -29.2 | 0 | 0 | 0 | 109 | Y68 | P66-Y68 PolarHBondContact O-N 2.94Š|
| 67 | T | 43.8 | Very low | 41.7 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | | | trans | -61.3 | 106.6 | 170.5 | -55.9 | 0 | 0 | 0 | 0 | 107.9 | A65 T69 | A65-T67 PolarHBondContact O-N 3.44Å; A65-T67 VanDerWaalsContact O-N 3.13Å; T67-T69 PolarHBondContact O-N 3.32Å; T67-T69 VanDerWaalsContact O-N 3.14Å |
| 68 | Y | 36.5 | Very low | 42.3 | Very low | 212 Ų | 212 | 130 Ų | 130 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | | | trans | -67.5 | 110.7 | 172.1 | -153.5 | -94 | 0 | 0 | 0 | 107.6 | P66 P70 | P66-Y68 PolarHBondContact O-N 2.94Å; Y68-P70 WeakPolarHBondContact O-CD 3.43Å |
| 69 | T | 41 | Very low | 41.7 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 68% | 0.681 | 77% | 0.773 | S | S | * | * | | | trans | -82.3 | 104.9 | 165.8 | 42.1 | 0 | 0 | 0 | 0 | 107.7 | T67 N71 | T67-T69 PolarHBondContact O-N 3.32Å; T67-T69 VanDerWaalsContact O-N 3.14Å; T69-N71 PolarHBondContact O-N 3.35Å |
| 70 | P | 40.9 | Very low | 41.6 | Very low | 93 Ų | 93 | 135 Ų | 135 | 60% | 0.604 | 79% | 0.786 | S | S | * | * | | | trans | -69.6 | 119.3 | 168.5 | 28.7 | -30.8 | 0 | 0 | 0 | 107.4 | Y68 | Y68-P70 WeakPolarHBondContact O-CD 3.43Š|
| 71 | N | 42.6 | Very low | 41.1 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | | | trans | 164.1 | 70.6 | 139.9 | -79.1 | -7.9 | 0 | 0 | 0 | 112.3 | T69 | T69-N71 PolarHBondContact O-N 3.35Š|
| 72 | L | 48.6 | Very low | 41.6 | Very low | 161 Ų | 161 | 133.3 Ų | 133.3 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | -116.9 | 27 | 168.5 | -99.2 | 105 | 0 | 0 | 0 | 114 | | |
| 73 | Y | 35.3 | Very low | 41.4 | Very low | 224 Ų | 224 | 130.5 Ų | 130.5 | 88% | 0.878 | 78% | 0.779 | S | S | * | * | | | trans | -119.7 | 96.9 | 164.6 | -69.2 | -77.6 | 0 | 0 | 0 | 109.7 | T75 | Y73-T75 VanDerWaalsContact C-N 3.28Å; Y73-T75 PolarHBondContact O-N 3.08Å |
| 74 | Q | 39.8 | Very low | 40.9 | Very low | 198 Ų | 198 | 136.3 Ų | 136.3 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | | | trans | -68.9 | 90.1 | 161.1 | -178.2 | 172.9 | 71.8 | 0 | 0 | 107.7 | G76 | Q74-G76 PolarHBondContact O-N 3.18Š|
| 75 | T | 43.3 | Very low | 40.6 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | | | trans | -92.4 | 83.3 | 161.3 | 162.7 | 0 | 0 | 0 | 0 | 106.9 | Y73 S77 | Y73-T75 VanDerWaalsContact C-N 3.28Å; Y73-T75 PolarHBondContact O-N 3.08Å; T75-S77 PolarHBondContact O-N 3.35Å |
| 76 | G | 40 | Very low | 40.8 | Very low | 70 Ų | 70 | 139 Ų | 139 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | | | trans | -80.1 | 107.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q74 | Q74-G76 PolarHBondContact O-N 3.18Š|
| 77 | S | 36.4 | Very low | 40.9 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 145.3 | 153.2 | -148.3 | 0 | 0 | 0 | 0 | 107.9 | T75 G79 | T75-S77 PolarHBondContact O-N 3.35Å; S77-G79 PolarHBondContact O-N 3.25Å |
| 78 | P | 43 | Very low | 41.3 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 135 | -163.8 | -22.6 | 32.3 | 0 | 0 | 0 | 113.2 | | |
| 79 | G | 37.6 | Very low | 41.6 | Very low | 75 Ų | 75 | 131.6 Ų | 131.6 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 145.8 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S77 | S77-G79 PolarHBondContact O-N 3.25Š|
| 80 | Y | 34.9 | Very low | 42.1 | Very low | 220 Ų | 220 | 132.4 Ų | 132.4 | 86% | 0.863 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 138.1 | 158.2 | -69.9 | -86 | 0 | 0 | 0 | 108.8 | | |
| 81 | P | 38.3 | Very low | 42.1 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 148.7 | -175.7 | 27.3 | -33.7 | 0 | 0 | 0 | 111.9 | G83 | P81-G83 PolarHBondContact O-N 3.17Š|
| 82 | P | 43 | Very low | 42.5 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 90% | 0.903 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -79.9 | 109.7 | -177.8 | 30.4 | -30.1 | 0 | 0 | 0 | 110.5 | | |
| 83 | G | 40.2 | Very low | 42.9 | Very low | 56 Ų | 56 | 137.2 Ų | 137.2 | 58% | 0.577 | 80% | 0.8 | S | S | * | * | | | trans | 164.9 | 135.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | P81 | P81-G83 PolarHBondContact O-N 3.17Š|
| 84 | Y | 38.5 | Very low | 43.8 | Very low | 227 Ų | 227 | 131.2 Ų | 131.2 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | | | trans | 89.3 | 86.1 | 171.9 | -52.5 | -76.2 | 0 | 0 | 0 | 117.5 | | |
| 85 | T | 40.8 | Very low | 44.4 | Very low | 137 Ų | 137 | 127 Ų | 127 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | | | | 178.3 | 136.8 | 98.5 | 30.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 86 | P | 48.8 | Very low | 44.8 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | | | trans | -81.4 | 150.6 | 162.6 | 32.9 | -28.3 | 0 | 0 | 0 | 110.4 | | |
| 87 | A | 45.4 | Very low | 45.1 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 85.9 | 99 | 171.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 88 | G | 52.5 | Low | 45.8 | Very low | 80 Ų | 80 | 132 Ų | 132 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | | 89.4 | 21.2 | 106.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 89 | T | 42.8 | Very low | 46.4 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | | | trans | -132.8 | 119.3 | 166.7 | 37.2 | 0 | 0 | 0 | 0 | 112.1 | Y91 | T89-Y91 PolarHBondContact O-N 2.87Š|
| 90 | P | 51.8 | Low | 47.2 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | | | trans | -69.7 | 116.3 | 173.9 | 24.9 | -28.7 | 0 | 0 | 0 | 109.7 | K92 | P90-K92 PolarHBondContact O-N 3.3Š|
| 91 | Y | 40.7 | Very low | 48.1 | Very low | 218 Ų | 218 | 124.9 Ų | 124.9 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | | | trans | -64.4 | 115 | 172 | -146.8 | -95.7 | 0 | 0 | 0 | 108.5 | T89 V93 | T89-Y91 PolarHBondContact O-N 2.87Å; Y91-V93 PolarHBondContact O-N 3.3Å |
| 92 | K | 50.7 | Low | 49.1 | Very low | 180 Ų | 180 | 123.7 Ų | 123.7 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | | | trans | -74.4 | 96.2 | 177.8 | -160.5 | -176.9 | -163.6 | -64.9 | 0 | 108.2 | P90 P94 | P90-K92 PolarHBondContact O-N 3.3Å; K92-P94 WeakPolarHBondContact O-CD 3.39Å |
| 93 | V | 57.4 | Low | 50.3 | Low | 112 Ų | 112 | 122.1 Ų | 122.1 | 68% | 0.679 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -57 | 123.1 | 168.4 | -173.4 | 0 | 0 | 0 | 0 | 107.2 | Y91 | Y91-V93 PolarHBondContact O-N 3.3Š|
| 94 | P | 53.8 | Low | 51.5 | Low | 98 Ų | 98 | 125.2 Ų | 125.2 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 138.2 | 172.2 | -20.8 | 31.5 | 0 | 0 | 0 | 108.6 | K92 T96 | K92-P94 WeakPolarHBondContact O-CD 3.39Å; P94-T96 PolarHBondContact O-N 3.18Å |
| 95 | P | 52.5 | Low | 51.9 | Low | 110 Ų | 110 | 124.4 Ų | 124.4 | 71% | 0.714 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -57 | 122.5 | 171.9 | 25.3 | -31.6 | 0 | 0 | 0 | 107.1 | Q97 | P95-Q97 VanDerWaalsContact C-N 3.34Å; P95-Q97 PolarHBondContact O-N 3.19Å |
| 96 | T | 51.7 | Low | 52.7 | Low | 133 Ų | 133 | 123.7 Ų | 123.7 | 82% | 0.816 | 75% | 0.747 | S | S | * | * | | | trans | -57.4 | 103.9 | 168.9 | 45.3 | 0 | 0 | 0 | 0 | 106.6 | P94 S98 | P94-T96 PolarHBondContact O-N 3.18Å; T96-S98 PolarHBondContact O-N 2.66Å |
| 97 | Q | 45.4 | Very low | 52.7 | Low | 165 Ų | 165 | 123.3 Ų | 123.3 | 77% | 0.771 | 74% | 0.744 | S | S | * | * | | | trans | -67.9 | 89.8 | 171.8 | -174 | 178.6 | -4.5 | 0 | 0 | 106.2 | P95 N99 | P95-Q97 VanDerWaalsContact C-N 3.34Å; P95-Q97 PolarHBondContact O-N 3.19Å; Q97-N99 PolarHBondContact O-N 2.86Å |
| 98 | S | 53.1 | Low | 53.4 | Low | 109 Ų | 109 | 124.3 Ų | 124.3 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | | | trans | -67.6 | 87.7 | 161.8 | -175.7 | 0 | 0 | 0 | 0 | 105.6 | T96 G100 | T96-S98 PolarHBondContact O-N 2.66Å; S98-G100 VanDerWaalsContact C-N 3.33Å; S98-G100 PolarHBondContact O-N 2.85Å |
| 99 | N | 55.1 | Low | 53.8 | Low | 122 Ų | 122 | 126 Ų | 126 | 65% | 0.652 | 74% | 0.737 | S | S | * | * | | | trans | -63.1 | 106.5 | 164.5 | -145.8 | 43.3 | 0 | 0 | 0 | 103.4 | Q97 A101 | Q97-N99 PolarHBondContact O-N 2.86Å; N99-A101 PolarHBondContact O-N 3.04Å |
| 100 | G | 53.1 | Low | 54.5 | Low | 72 Ų | 72 | 125.5 Ų | 125.5 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | | | trans | -64.9 | 36 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S98 | S98-G100 VanDerWaalsContact C-N 3.33Å; S98-G100 PolarHBondContact O-N 2.85Å |
| 101 | A | 55 | Low | 54.6 | Low | 69 Ų | 69 | 124.9 Ų | 124.9 | 57% | 0.57 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 126.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | N99 | N99-A101 PolarHBondContact O-N 3.04Š|
| 102 | P | 58.4 | Low | 54.3 | Low | 90 Ų | 90 | 124.1 Ų | 124.1 | 58% | 0.584 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 147.7 | 170.2 | 25.4 | -32.4 | 0 | 0 | 0 | 109 | | |
| 103 | P | 67.7 | Low | 54.2 | Low | 105 Ų | 105 | 121 Ų | 121 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 144.8 | 173.4 | 24.5 | -33 | 0 | 0 | 0 | 109.5 | Y105 | P103-Y105 PolarHBondContact O-N 2.99Š|
| 104 | P | 67.3 | Low | 53.9 | Low | 122 Ų | 122 | 121.9 Ų | 121.9 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 126.9 | 177.3 | 19.9 | -29.4 | 0 | 0 | 0 | 109.4 | T106 | P104-T106 PolarHBondContact O-N 3.19Å; P104-T106 VanDerWaalsContact O-N 3.1Å |
| 105 | Y | 45.7 | Very low | 53.9 | Low | 209 Ų | 209 | 120.3 Ų | 120.3 | 82% | 0.82 | 73% | 0.726 | S | S | * | * | | | trans | -64.7 | 112.8 | 176.1 | -72.7 | -78.8 | 0 | 0 | 0 | 109 | P103 P107 | P103-Y105 PolarHBondContact O-N 2.99Å; Y105-P107 VanDerWaalsContact O-CD 3.28Å; Y105-P107 WeakPolarHBondContact O-CD 3.45Å |
| 106 | T | 57.7 | Low | 53.6 | Low | 123 Ų | 123 | 123.3 Ų | 123.3 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 116.1 | 166.8 | -46.7 | 0 | 0 | 0 | 0 | 107.9 | P104 T108 | P104-T106 PolarHBondContact O-N 3.19Å; P104-T106 VanDerWaalsContact O-N 3.1Å; T106-T108 PolarHBondContact O-N 3.22Å; T106-T108 VanDerWaalsContact O-N 3.1Å |
| 107 | P | 49.2 | Very low | 52.9 | Low | 114 Ų | 114 | 126.3 Ų | 126.3 | 74% | 0.74 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 119.8 | 171.4 | 22.6 | -28.8 | 0 | 0 | 0 | 108.3 | Y105 P109 | Y105-P107 VanDerWaalsContact O-CD 3.28Å; Y105-P107 WeakPolarHBondContact O-CD 3.45Å; P107-P109 WeakPolarHBondContact O-CD 3.23Å |
| 108 | T | 59.5 | Low | 53.3 | Low | 122 Ų | 122 | 124.1 Ų | 124.1 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 124.1 | 171.3 | -55.6 | 0 | 0 | 0 | 0 | 107.3 | T106 T110 | T106-T108 PolarHBondContact O-N 3.22Å; T106-T108 VanDerWaalsContact O-N 3.1Å; T108-T110 PolarHBondContact O-N 3Å; T108-T110 VanDerWaalsContact O-N 3.1Å |
| 109 | P | 60.3 | Low | 53 | Low | 116 Ų | 116 | 126.2 Ų | 126.2 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -61 | 118.2 | 171.9 | -6 | 15.6 | 0 | 0 | 0 | 108 | P107 P111 | P107-P109 WeakPolarHBondContact O-CD 3.23Å; P109-P111 WeakPolarHBondContact O-CD 3.42Å |
| 110 | T | 57.7 | Low | 52.8 | Low | 119 Ų | 119 | 131.7 Ų | 131.7 | 73% | 0.73 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 124.1 | 172.6 | 26.8 | 0 | 0 | 0 | 0 | 109 | T108 Y112 | T108-T110 PolarHBondContact O-N 3Å; T108-T110 VanDerWaalsContact O-N 3.1Å; T110-Y112 PolarHBondContact O-N 2.83Å; T110-Y112 VanDerWaalsContact O-N 3.15Å |
| 111 | P | 53.9 | Low | 52.2 | Low | 114 Ų | 114 | 131.4 Ų | 131.4 | 74% | 0.74 | 73% | 0.73 | S | S | * | * | | | trans | -82.4 | 16.3 | -173 | 33.2 | -36.5 | 0 | 0 | 0 | 113.8 | P109 P113 | P109-P111 WeakPolarHBondContact O-CD 3.42Å; P111-P113 WeakPolarHBondContact O-CD 3.25Å |
| 112 | Y | 35.8 | Very low | 52 | Low | 202 Ų | 202 | 132.7 Ų | 132.7 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | | | trans | -83.6 | 109.1 | -179.9 | -71.3 | -76 | 0 | 0 | 0 | 109.9 | T110 T114 | T110-Y112 PolarHBondContact O-N 2.83Å; T110-Y112 VanDerWaalsContact O-N 3.15Å; Y112-T114 PolarHBondContact O-N 2.88Å |
| 113 | P | 48.2 | Very low | 51 | Low | 116 Ų | 116 | 137.6 Ų | 137.6 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | | | trans | -64.7 | 117.4 | 159.2 | 27.6 | -31.8 | 0 | 0 | 0 | 107.4 | P111 A115 | P111-P113 WeakPolarHBondContact O-CD 3.25Å; P113-A115 VanDerWaalsContact C-N 3.34Å; P113-A115 PolarHBondContact O-N 2.85Å |
| 114 | T | 50.2 | Low | 50.1 | Low | 129 Ų | 129 | 138.7 Ų | 138.7 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | trans | -58.3 | 104.1 | 160.4 | -80.2 | 0 | 0 | 0 | 0 | 106.7 | Y112 M116 | Y112-T114 PolarHBondContact O-N 2.88Å; T114-M116 PolarHBondContact O-N 3.37Å |
| 115 | A | 55.1 | Low | 49 | Very low | 65 Ų | 65 | 139.8 Ų | 139.8 | 54% | 0.537 | 75% | 0.75 | S | S | . | * | | | trans | -65.6 | 100.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | P113 Y117 | P113-A115 VanDerWaalsContact C-N 3.34Å; P113-A115 PolarHBondContact O-N 2.85Å; A115-Y117 HydrophobicContact CB-CE2 4.18Å; A115-Y117 WeakPolarHBondContact O-CD2 3.42Å; A115-Y117 PolarHBondContact O-N 3.31Å |
| 116 | M | 46.3 | Very low | 49 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 85% | 0.852 | 75% | 0.753 | S | S | * | * | | | trans | -69.5 | 97.7 | 164.9 | -80 | -177.7 | 63 | 0 | 0 | 107.8 | T114 P118 | T114-M116 PolarHBondContact O-N 3.37Å; M116-P118 WeakPolarHBondContact O-CD 3.33Å |
| 117 | Y | 37.2 | Very low | 48.1 | Very low | 197 Ų | 197 | 139 Ų | 139 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | | | trans | -66.4 | 126.6 | 167.2 | -66.3 | -83.5 | 0 | 0 | 0 | 108.7 | A115 I119 | A115-Y117 HydrophobicContact CB-CE2 4.18Å; A115-Y117 WeakPolarHBondContact O-CD2 3.42Å; A115-Y117 PolarHBondContact O-N 3.31Å; Y117-I119 PolarHBondContact O-N 3.13Å; Y117-I119 VanDerWaalsContact O-N 3.15Å |
| 118 | P | 53.8 | Low | 48 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | | | trans | -65.5 | 116.6 | 170.4 | 23 | -28.3 | 0 | 0 | 0 | 108.9 | M116 R120 | M116-P118 WeakPolarHBondContact O-CD 3.33Å; P118-R120 PolarHBondContact O-N 2.85Å |
| 119 | I | 46.7 | Very low | 47 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | | | trans | -64.7 | 105.2 | 171.9 | -58.6 | 175.5 | 0 | 0 | 0 | 107.1 | Y117 S121 | Y117-I119 PolarHBondContact O-N 3.13Å; Y117-I119 VanDerWaalsContact O-N 3.15Å; I119-S121 VanDerWaalsContact C-N 3.32Å; I119-S121 PolarHBondContact O-N 2.88Å; I119-S121 VanDerWaalsContact O-N 3.11Å |
| 120 | R | 50.7 | Low | 46.1 | Very low | 237 Ų | 237 | 143.4 Ų | 143.4 | 89% | 0.894 | 75% | 0.752 | S | S | * | * | | | trans | -75.6 | 91.5 | 160.4 | -72.5 | -172.6 | -169.7 | -85.6 | 0.6 | 107.1 | P118 A122 | P118-R120 PolarHBondContact O-N 2.85Å; R120-A122 PolarHBondContact O-N 3.47Å |
| 121 | S | 40.9 | Very low | 45.2 | Very low | 67 Ų | 67 | 147 Ų | 147 | 47% | 0.469 | 76% | 0.76 | S | S | . | * | | | trans | -64.8 | 122 | 166.6 | -64.7 | 0 | 0 | 0 | 0 | 108.7 | I119 Y123 | I119-S121 VanDerWaalsContact C-N 3.32Å; I119-S121 PolarHBondContact O-N 2.88Å; I119-S121 VanDerWaalsContact O-N 3.11Å; S121-Y123 PolarHBondContact O-N 3.11Å |
| 122 | A | 50.9 | Low | 44.8 | Very low | 95 Ų | 95 | 145.1 Ų | 145.1 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -77 | 10 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R120 | R120-A122 PolarHBondContact O-N 3.47Š|
| 123 | Y | 37 | Very low | 44.8 | Very low | 194 Ų | 194 | 140 Ų | 140 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -126.4 | 136.2 | -177.9 | -64.3 | -81 | 0 | 0 | 0 | 109.2 | S121 Q125 | S121-Y123 PolarHBondContact O-N 3.11Å; Y123-Q125 PolarHBondContact O-N 3.43Å; Y123-Q125 VanDerWaalsContact O-N 3.12Å |
| 124 | P | 48.3 | Very low | 44.6 | Very low | 128 Ų | 128 | 145.5 Ų | 145.5 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | | | trans | -62.7 | 117.3 | 175.3 | 25.5 | -31.8 | 0 | 0 | 0 | 109.3 | Q126 | P124-Q126 PolarHBondContact O-N 3.27Š|
| 125 | Q | 43.5 | Very low | 44 | Very low | 144 Ų | 144 | 150 Ų | 150 | 67% | 0.673 | 77% | 0.773 | S | S | * | * | | | trans | -70.7 | 118.9 | 168 | -70.4 | -127.1 | -43.5 | 0 | 0 | 108.6 | Y123 N127 | Y123-Q125 PolarHBondContact O-N 3.43Å; Y123-Q125 VanDerWaalsContact O-N 3.12Å; Q125-N127 VanDerWaalsContact C-N 3.29Å; Q125-N127 PolarHBondContact O-N 3.44Å |
| 126 | Q | 45.7 | Very low | 43.8 | Very low | 187 Ų | 187 | 153.6 Ų | 153.6 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | trans | -77.4 | 82.3 | 176.5 | -150 | 154.3 | 5.4 | 0 | 0 | 108.3 | P124 I128 | P124-Q126 PolarHBondContact O-N 3.27Å; Q126-I128 PolarHBondContact O-N 3.48Å |
| 127 | N | 39.8 | Very low | 43.7 | Very low | 128 Ų | 128 | 153.7 Ų | 153.7 | 68% | 0.684 | 79% | 0.786 | S | S | * | * | | | trans | -77.1 | 109.6 | 176 | -84.5 | -37.7 | 0 | 0 | 0 | 109.9 | Q125 Y129 | Q125-N127 VanDerWaalsContact C-N 3.29Å; Q125-N127 PolarHBondContact O-N 3.44Å; N127-Y129 PolarHBondContact O-N 3.27Å |
| 128 | I | 47.2 | Very low | 44.7 | Very low | 140 Ų | 140 | 149.6 Ų | 149.6 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -80.8 | 103.2 | 168.5 | -64.9 | 170.4 | 0 | 0 | 0 | 106.4 | Q126 | Q126-I128 PolarHBondContact O-N 3.48Š|
| 129 | Y | 37.4 | Very low | 44.9 | Very low | 219 Ų | 219 | 150.1 Ų | 150.1 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | | | trans | 74.8 | 99.1 | 176.1 | -51.8 | -71.9 | 0 | 0 | 0 | 118.4 | N127 | N127-Y129 PolarHBondContact O-N 3.27Š|
| 130 | A | 41.6 | Very low | 44.9 | Very low | 87 Ų | 87 | 153.3 Ų | 153.3 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | | | trans | -133.1 | 105.6 | 150 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 131 | Q | 38.7 | Very low | 45 | Very low | 194 Ų | 194 | 146 Ų | 146 | 91% | 0.907 | 78% | 0.778 | S | S | * | * | | | trans | -138.5 | 112.3 | 166.4 | -74.3 | -71.4 | 0.8 | 0 | 0 | 107.7 | | |
| 132 | G | 45.5 | Very low | 45.6 | Very low | 75 Ų | 75 | 147 Ų | 147 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | 97.1 | 128.4 | 148.8 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 133 | A | 36.8 | Very low | 46 | Very low | 94 Ų | 94 | 150.6 Ų | 150.6 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | | | trans | 87.6 | 113.1 | 144.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | Y135 | A133-Y135 PolarHBondContact O-N 3.09Š|
| 134 | Y | 42.6 | Very low | 47.2 | Very low | 232 Ų | 232 | 146.8 Ų | 146.8 | 91% | 0.91 | 79% | 0.79 | S | S | * | * | | | trans | -43.6 | 110.1 | 157.9 | -66.2 | -97.3 | 0 | 0 | 0 | 112.5 | | |
| 135 | Y | 38.1 | Very low | 48 | Very low | 224 Ų | 224 | 148.8 Ų | 148.8 | 88% | 0.878 | 79% | 0.788 | S | S | * | * | | | trans | -151.9 | 118.9 | 149.1 | -99.4 | -80.3 | 0 | 0 | 0 | 108.6 | A133 Q137 | A133-Y135 PolarHBondContact O-N 3.09Å; Y135-Q137 PolarHBondContact O-N 2.98Å |
| 136 | T | 51.6 | Low | 49.2 | Very low | 140 Ų | 140 | 147.3 Ų | 147.3 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | | | trans | -74.2 | 114.1 | 175.3 | 50.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 137 | Q | 43.3 | Very low | 50.5 | Low | 175 Ų | 175 | 144.3 Ų | 144.3 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -99.9 | 125.9 | 161.3 | -83.2 | -174.5 | -9.1 | 0 | 0 | 109.1 | Y135 V139 | Y135-Q137 PolarHBondContact O-N 2.98Å; Q137-V139 PolarHBondContact O-N 3.18Å; Q137-V139 VanDerWaalsContact O-N 3.11Å |
| 138 | P | 58.4 | Low | 52 | Low | 111 Ų | 111 | 146 Ų | 146 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | | | trans | -69.8 | 107.9 | 163.8 | 28 | -29.2 | 0 | 0 | 0 | 107.8 | Y140 | P138-Y140 PolarHBondContact O-N 3Š|
| 139 | V | 58.4 | Low | 53.1 | Low | 130 Ų | 130 | 147.5 Ų | 147.5 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | | | trans | -64.8 | 106.4 | 165.2 | 177.1 | 0 | 0 | 0 | 0 | 106.3 | Q137 A141 | Q137-V139 PolarHBondContact O-N 3.18Å; Q137-V139 VanDerWaalsContact O-N 3.11Å; V139-A141 PolarHBondContact O-N 3.24Å |
| 140 | Y | 46.7 | Very low | 54.3 | Low | 219 Ų | 219 | 142.8 Ų | 142.8 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | | | trans | -62.8 | 103.4 | 166.1 | -101.1 | -93 | 0 | 0 | 0 | 107.2 | P138 A142 | P138-Y140 PolarHBondContact O-N 3Å; Y140-A142 PolarHBondContact O-N 3.3Å |
| 141 | A | 53.6 | Low | 55.4 | Low | 83 Ų | 83 | 144.4 Ų | 144.4 | 69% | 0.686 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 128.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | V139 Q143 | V139-A141 PolarHBondContact O-N 3.24Å; A141-Q143 PolarHBondContact O-N 3.29Å |
| 142 | A | 53.6 | Low | 56.4 | Low | 88 Ų | 88 | 141 Ų | 141 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 132.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y140 | Y140-A142 PolarHBondContact O-N 3.3Š|
| 143 | Q | 57.9 | Low | 57.2 | Low | 171 Ų | 171 | 143.1 Ų | 143.1 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 141.9 | 179 | -64.7 | -139.7 | -7.9 | 0 | 0 | 110.7 | A141 H145 | A141-Q143 PolarHBondContact O-N 3.29Å; Q143-H145 PolarHBondContact O-N 3.49Å |
| 144 | P | 62.8 | Low | 58.2 | Low | 114 Ų | 114 | 146 Ų | 146 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 119.4 | 177.2 | 26.6 | -32.1 | 0 | 0 | 0 | 109.7 | V146 | P144-V146 PolarHBondContact O-N 3.37Š|
| 145 | H | 65.9 | Low | 58.7 | Low | 169 Ų | 169 | 140 Ų | 140 | 78% | 0.782 | 76% | 0.757 | S | S | * | * | | | trans | -61.4 | 115.8 | 173.4 | -30.5 | 75.5 | 0 | 0 | 0 | 108.9 | Q143 I147 | Q143-H145 PolarHBondContact O-N 3.49Å; H145-I147 PolarHBondContact O-N 2.87Å |
| 146 | V | 68.6 | Low | 59.5 | Low | 113 Ų | 113 | 136.9 Ų | 136.9 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | | | trans | -75.5 | 109 | 171 | 179.5 | 0 | 0 | 0 | 0 | 107.6 | P144 H148 | P144-V146 PolarHBondContact O-N 3.37Å; V146-H148 PolarHBondContact O-CD2 3.05Å; V146-H148 PolarHBondContact O-N 3Å |
| 147 | I | 71.4 | Confident | 59.6 | Low | 125 Ų | 125 | 135 Ų | 135 | 64% | 0.641 | 75% | 0.748 | S | S | * | * | | | trans | -81.9 | 114.9 | 172.4 | -59.8 | 175.1 | 0 | 0 | 0 | 107.8 | H145 H149 | H145-I147 PolarHBondContact O-N 2.87Å; I147-H149 PolarHBondContact O-N 3.07Å |
| 148 | H | 71.3 | Confident | 60.4 | Low | 164 Ų | 164 | 133.6 Ų | 133.6 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | | | trans | -85.2 | 104.2 | 171.8 | -64.7 | -100.3 | 0 | 0 | 0 | 109 | V146 T150 | V146-H148 PolarHBondContact O-CD2 3.05Å; V146-H148 PolarHBondContact O-N 3Å; H148-T150 PolarHBondContact O-N 3.38Å |
| 149 | H | 70.1 | Confident | 60 | Low | 171 Ų | 171 | 132.4 Ų | 132.4 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | | | trans | -73.7 | 108.5 | 170 | -48.5 | -78.8 | 0 | 0 | 0 | 108.7 | I147 | I147-H149 PolarHBondContact O-N 3.07Š|
| 150 | T | 63.8 | Low | 59.6 | Low | 120 Ų | 120 | 130.7 Ų | 130.7 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | | | trans | -83.1 | 114.7 | 164.4 | -175.1 | 0 | 0 | 0 | 0 | 108.3 | H148 V152 | H148-T150 PolarHBondContact O-N 3.38Å; T150-V152 PolarHBondContact O-N 3.13Å |
| 151 | T | 65.1 | Low | 59.8 | Low | 121 Ų | 121 | 126 Ų | 126 | 74% | 0.742 | 73% | 0.725 | S | S | * | * | | | trans | -80.6 | 106.7 | 166.5 | 172.8 | 0 | 0 | 0 | 0 | 107.5 | V153 | T151-V153 PolarHBondContact O-N 3.3Å; T151-V153 VanDerWaalsContact O-N 3.13Å |
| 152 | V | 60.1 | Low | 59.7 | Low | 122 Ų | 122 | 126.2 Ų | 126.2 | 74% | 0.739 | 73% | 0.726 | S | S | * | * | | | trans | -73.7 | 104.6 | 170.4 | -172 | 0 | 0 | 0 | 0 | 106.9 | T150 Q154 | T150-V152 PolarHBondContact O-N 3.13Å; V152-Q154 PolarHBondContact O-N 3.04Å |
| 153 | V | 61.8 | Low | 59.9 | Low | 120 Ų | 120 | 128.7 Ų | 128.7 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | | | trans | -68 | 114 | 167.8 | 179.7 | 0 | 0 | 0 | 0 | 106.8 | T151 P155 | T151-V153 PolarHBondContact O-N 3.3Å; T151-V153 VanDerWaalsContact O-N 3.13Å; V153-P155 WeakPolarHBondContact O-CD 3.47Å |
| 154 | Q | 57.5 | Low | 59.2 | Low | 154 Ų | 154 | 130 Ų | 130 | 72% | 0.72 | 73% | 0.726 | S | S | * | * | | | trans | -59 | 119.3 | 173.3 | -167.4 | 176.7 | -5.1 | 0 | 0 | 107.9 | V152 N156 | V152-Q154 PolarHBondContact O-N 3.04Å; Q154-N156 PolarHBondContact O-N 3.42Å |
| 155 | P | 53.8 | Low | 58.9 | Low | 106 Ų | 106 | 130.5 Ų | 130.5 | 69% | 0.688 | 73% | 0.729 | S | S | * | * | | | trans | -62.2 | 126.3 | 173.4 | 23.1 | -29.3 | 0 | 0 | 0 | 107.7 | V153 S157 | V153-P155 WeakPolarHBondContact O-CD 3.47Å; P155-S157 PolarHBondContact O-N 3.19Å |
| 156 | N | 54.7 | Low | 58.5 | Low | 158 Ų | 158 | 126.6 Ų | 126.6 | 85% | 0.845 | 73% | 0.726 | S | S | * | * | | | trans | -47.3 | 108.7 | 174.1 | -84.6 | 18.3 | 0 | 0 | 0 | 108.5 | Q154 I158 | Q154-N156 PolarHBondContact O-N 3.42Å; N156-I158 PolarHBondContact O-N 3.17Å |
| 157 | S | 52.9 | Low | 58.1 | Low | 101 Ų | 101 | 127.2 Ų | 127.2 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | | | trans | -67.7 | 104.2 | 174.9 | -60.3 | 0 | 0 | 0 | 0 | 106.8 | P155 P159 | P155-S157 PolarHBondContact O-N 3.19Å; S157-P159 WeakPolarHBondContact O-CD 3.37Å |
| 158 | I | 61 | Low | 57.8 | Low | 145 Ų | 145 | 127.3 Ų | 127.3 | 74% | 0.744 | 74% | 0.738 | S | S | * | * | | | trans | -59.7 | 121.6 | 163 | -48.4 | 174.7 | 0 | 0 | 0 | 104.6 | N156 S160 | N156-I158 PolarHBondContact O-N 3.17Å; I158-S160 PolarHBondContact O-N 3.2Å |
| 159 | P | 49 | Very low | 57.1 | Low | 86 Ų | 86 | 125.1 Ų | 125.1 | 56% | 0.558 | 74% | 0.739 | S | S | * | * | | | trans | -59.2 | 128 | -179.9 | 23.1 | -31.6 | 0 | 0 | 0 | 108.6 | S157 T161 A162 | S157-P159 WeakPolarHBondContact O-CD 3.37Å; P159-T161 PolarHBondContact O-N 3.03Å; P159-A162 PolarHBondContact O-N 3.1Å |
| 160 | S | 49.7 | Very low | 56.5 | Low | 94 Ų | 94 | 123.1 Ų | 123.1 | 66% | 0.657 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -61.6 | 5.7 | 179.9 | -46.6 | 0 | 0 | 0 | 0 | 114 | I158 A162 | I158-S160 PolarHBondContact O-N 3.2Å; S160-A162 PolarHBondContact O-N 3.24Å |
| 161 | T | 52.4 | Low | 55.9 | Low | 122 Ų | 122 | 123.1 Ų | 123.1 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -74.8 | -8.6 | 176.9 | 52.7 | 0 | 0 | 0 | 0 | 113.4 | P159 | P159-T161 PolarHBondContact O-N 3.03Š|
| 162 | A | 51.1 | Low | 55.7 | Low | 86 Ų | 86 | 121.3 Ų | 121.3 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -88.8 | -0.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | P159 S160 | P159-A162 PolarHBondContact O-N 3.1Å; S160-A162 PolarHBondContact O-N 3.24Å |
| 163 | L | 56.7 | Low | 55.2 | Low | 141 Ų | 141 | 121.7 Ų | 121.7 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -109.9 | 4.7 | -170.8 | -86 | 140.8 | 0 | 0 | 0 | 115.6 | | |
| 164 | Y | 43.6 | Very low | 54.8 | Low | 198 Ų | 198 | 127.1 Ų | 127.1 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -128 | 133.9 | 176.5 | -65.5 | -79 | 0 | 0 | 0 | 111.3 | | |
| 165 | P | 56.8 | Low | 54 | Low | 124 Ų | 124 | 127.1 Ų | 127.1 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 140.4 | 168.5 | -16.2 | 28.5 | 0 | 0 | 0 | 110.3 | | |
| 166 | A | 56.7 | Low | 53.8 | Low | 88 Ų | 88 | 129.4 Ų | 129.4 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 140.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V168 | A166-V168 PolarHBondContact O-N 3.19Š|
| 167 | P | 60.2 | Low | 53.2 | Low | 125 Ų | 125 | 124.8 Ų | 124.8 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 132.1 | 175.3 | -21.8 | 32.4 | 0 | 0 | 0 | 111.5 | | |
| 168 | V | 64.6 | Low | 53.1 | Low | 128 Ų | 128 | 128.2 Ų | 128.2 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 130.2 | 176.7 | -171.6 | 0 | 0 | 0 | 0 | 109.1 | A166 V170 | A166-V168 PolarHBondContact O-N 3.19Å; V168-V170 PolarHBondContact O-N 3.2Å |
| 169 | P | 56.6 | Low | 52.5 | Low | 117 Ų | 117 | 127.4 Ų | 127.4 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 122.1 | 176.1 | -18.9 | 30.6 | 0 | 0 | 0 | 110.8 | | |
| 170 | V | 58.3 | Low | 52.2 | Low | 130 Ų | 130 | 129.7 Ų | 129.7 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -75 | 131.9 | 170 | -172.6 | 0 | 0 | 0 | 0 | 108.1 | V168 A172 | V168-V170 PolarHBondContact O-N 3.2Å; V170-A172 PolarHBondContact O-N 3.48Å |
| 171 | P | 52.2 | Low | 52.1 | Low | 120 Ų | 120 | 134 Ų | 134 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 126 | 177.8 | -17.2 | 29.4 | 0 | 0 | 0 | 110.5 | | |
| 172 | A | 60.1 | Low | 52 | Low | 83 Ų | 83 | 130.7 Ų | 130.7 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -63 | 143.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | V170 R174 | V170-A172 PolarHBondContact O-N 3.48Å; A172-R174 PolarHBondContact O-N 2.83Å |
| 173 | P | 49.5 | Very low | 51.8 | Low | 130 Ų | 130 | 135.5 Ų | 135.5 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 124.3 | 176.8 | -18.2 | 29.4 | 0 | 0 | 0 | 110.3 | N175 | P173-N175 PolarHBondContact O-N 2.74Š|
| 174 | R | 52.6 | Low | 51.7 | Low | 233 Ų | 233 | 136.1 Ų | 136.1 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | | | trans | -70.7 | 115.7 | 171.7 | -70.5 | -179.5 | -177 | 139 | 0.4 | 108.4 | A172 N176 | A172-R174 PolarHBondContact O-N 2.83Å; R174-N176 PolarHBondContact O-N 2.88Å |
| 175 | N | 42.4 | Very low | 51.9 | Low | 155 Ų | 155 | 131 Ų | 131 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | | | trans | -80.2 | 101.8 | 172.7 | -168 | 7.4 | 0 | 0 | 0 | 109.1 | P173 G177 | P173-N175 PolarHBondContact O-N 2.74Å; N175-G177 PolarHBondContact O-N 2.95Å |
| 176 | N | 49.2 | Very low | 51.4 | Low | 154 Ų | 154 | 128.4 Ų | 128.4 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | | | trans | -89.2 | 92.1 | 168.8 | -84.5 | 64 | 0 | 0 | 0 | 108.6 | R174 | R174-N176 PolarHBondContact O-N 2.88Š|
| 177 | G | 42.5 | Very low | 51.1 | Low | 61 Ų | 61 | 130.9 Ų | 130.9 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | | | trans | -153.6 | 128 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | N175 | N175-G177 PolarHBondContact O-N 2.95Š|
| 178 | M | 49.2 | Very low | 50.6 | Low | 173 Ų | 173 | 131 Ų | 131 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | | | trans | -44.5 | 150.1 | -174.3 | -55.8 | -76.1 | -107.8 | 0 | 0 | 115.9 | T180 | M178-T180 PolarHBondContact O-N 2.86Š|
| 179 | P | 49.1 | Very low | 49.7 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | -79.4 | 105.5 | 177.4 | 32.3 | -29.6 | 0 | 0 | 0 | 110.1 | M181 | P179-M181 PolarHBondContact O-N 3.34Å; P179-M181 VanDerWaalsContact O-N 3.09Å |
| 180 | T | 43 | Very low | 49.2 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | | | trans | -73.1 | 101.3 | 161.4 | -67.7 | 0 | 0 | 0 | 0 | 108.3 | M178 G182 | M178-T180 PolarHBondContact O-N 2.86Å; T180-G182 PolarHBondContact O-N 2.97Å |
| 181 | M | 46.9 | Very low | 48.9 | Very low | 184 Ų | 184 | 131.3 Ų | 131.3 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | | | trans | -47.9 | 128.3 | 160.6 | -176.3 | 74.2 | 104 | 0 | 0 | 109.7 | P179 | P179-M181 PolarHBondContact O-N 3.34Å; P179-M181 VanDerWaalsContact O-N 3.09Å |
| 182 | G | 51 | Low | 48.6 | Very low | 53 Ų | 53 | 131.2 Ų | 131.2 | 55% | 0.546 | 79% | 0.791 | S | S | . | * | | | trans | 111.4 | 88.6 | 163 | 0 | 0 | 0 | 0 | 0 | 115.4 | T180 | T180-G182 PolarHBondContact O-N 2.97Š|
| 183 | M | 45.8 | Very low | 48.2 | Very low | 188 Ų | 188 | 131.9 Ų | 131.9 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | | | | -167.7 | 90.7 | 128.2 | -104.6 | 176.6 | -102.1 | 0 | 0 | 108.8 | | |
| 184 | V | 55.9 | Low | 48.1 | Very low | 153 Ų | 153 | 128.7 Ų | 128.7 | 93% | 0.927 | 79% | 0.787 | S | S | * | * | | | trans | -76.1 | 107.6 | 148.9 | 142.3 | 0 | 0 | 0 | 0 | 105.3 | | |
| 185 | A | 47.7 | Very low | 48.1 | Very low | 92 Ų | 92 | 123.7 Ų | 123.7 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | | | trans | 176.6 | 125 | 153.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 186 | G | 46.2 | Very low | 48.1 | Very low | 68 Ų | 68 | 124 Ų | 124 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | trans | 97 | 88.6 | 158.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | T188 | G186-T188 VanDerWaalsContact C-N 3.25Å; G186-T188 PolarHBondContact O-N 2.82Å |
| 187 | T | 50.1 | Low | 47.7 | Very low | 140 Ų | 140 | 124.5 Ų | 124.5 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | | | trans | -57.7 | 92.9 | 153.4 | -32.9 | 0 | 0 | 0 | 0 | 107.9 | M189 | T187-M189 PolarHBondContact O-N 3.04Å; T187-M189 VanDerWaalsContact O-N 3.14Å |
| 188 | T | 49.7 | Very low | 48.3 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | trans | -78.6 | 97.2 | 167.3 | -61.3 | 0 | 0 | 0 | 0 | 106.5 | G186 A190 | G186-T188 VanDerWaalsContact C-N 3.25Å; G186-T188 PolarHBondContact O-N 2.82Å; T188-A190 VanDerWaalsContact C-N 3.34Å; T188-A190 PolarHBondContact O-N 3.18Å |
| 189 | M | 46.4 | Very low | 48 | Very low | 137 Ų | 137 | 124.6 Ų | 124.6 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | | | trans | -64.6 | 102.6 | 159.5 | -67 | -118.5 | -68.3 | 0 | 0 | 106.4 | T187 M191 | T187-M189 PolarHBondContact O-N 3.04Å; T187-M189 VanDerWaalsContact O-N 3.14Å; M189-M191 HydrophobicContact CB-CG 4.45Å; M189-M191 HydrophobicContact CE-CE 3.62Å; M189-M191 PolarHBondContact O-N 2.99Å |
| 190 | A | 45 | Very low | 48.2 | Very low | 93 Ų | 93 | 124 Ų | 124 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | -68.8 | 82.8 | 165 | 0 | 0 | 0 | 0 | 0 | 107.7 | T188 S192 | T188-A190 VanDerWaalsContact C-N 3.34Å; T188-A190 PolarHBondContact O-N 3.18Å; A190-S192 VanDerWaalsContact C-N 3.26Å; A190-S192 PolarHBondContact O-N 3.02Å |
| 191 | M | 52 | Low | 48.2 | Very low | 152 Ų | 152 | 126.1 Ų | 126.1 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | | | trans | -69.4 | 90.7 | 163.4 | -67.3 | -176.8 | -175.6 | 0 | 0 | 106.8 | M189 A193 | M189-M191 HydrophobicContact CB-CG 4.45Å; M189-M191 HydrophobicContact CE-CE 3.62Å; M189-M191 PolarHBondContact O-N 2.99Å; M191-A193 PolarHBondContact O-N 2.8Å |
| 192 | S | 46.4 | Very low | 48.4 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | trans | -71 | 87.9 | 167.5 | -175.1 | 0 | 0 | 0 | 0 | 108.3 | A190 G194 | A190-S192 VanDerWaalsContact C-N 3.26Å; A190-S192 PolarHBondContact O-N 3.02Å; S192-G194 PolarHBondContact O-N 3.48Å |
| 193 | A | 52.5 | Low | 48.6 | Very low | 97 Ų | 97 | 128 Ų | 128 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | | | trans | -74.3 | 78.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | M191 T195 | M191-A193 PolarHBondContact O-N 2.8Å; A193-T195 PolarHBondContact O-N 2.81Å |
| 194 | G | 47.7 | Very low | 48.9 | Very low | 63 Ų | 63 | 125 Ų | 125 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | | | trans | -82.7 | 101.4 | 157.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | S192 L196 | S192-G194 PolarHBondContact O-N 3.48Å; G194-L196 PolarHBondContact O-N 3.22Å |
| 195 | T | 50.8 | Low | 48.7 | Very low | 128 Ų | 128 | 124.2 Ų | 124.2 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | trans | -50 | 123 | 171.6 | 47.1 | 0 | 0 | 0 | 0 | 109.4 | A193 L197 | A193-T195 PolarHBondContact O-N 2.81Å; T195-L197 PolarHBondContact O-N 2.82Å; T195-L197 VanDerWaalsContact O-N 3.13Å |
| 196 | L | 42.2 | Very low | 49.1 | Very low | 162 Ų | 162 | 122.5 Ų | 122.5 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | | | trans | -38.6 | 119 | 164.8 | -75 | 152.5 | 0 | 0 | 0 | 109 | G194 T198 | G194-L196 PolarHBondContact O-N 3.22Å; L196-T198 VanDerWaalsContact C-N 3.3Å; L196-T198 PolarHBondContact O-N 3.13Å |
| 197 | L | 41.2 | Very low | 49.2 | Very low | 165 Ų | 165 | 124.1 Ų | 124.1 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | | | trans | -63.8 | 95.7 | 175.4 | -143.8 | 76.1 | 0 | 0 | 0 | 107.8 | T195 T199 | T195-L197 PolarHBondContact O-N 2.82Å; T195-L197 VanDerWaalsContact O-N 3.13Å; L197-T199 PolarHBondContact O-N 3.4Å |
| 198 | T | 54.8 | Low | 49.1 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 76% | 0.761 | 75% | 0.751 | S | S | * | * | | | trans | -64.4 | 108.9 | 162.3 | 50.3 | 0 | 0 | 0 | 0 | 107.4 | L196 | L196-T198 VanDerWaalsContact C-N 3.3Å; L196-T198 PolarHBondContact O-N 3.13Å |
| 199 | T | 43.3 | Very low | 49.4 | Very low | 112 Ų | 112 | 122.8 Ų | 122.8 | 69% | 0.687 | 75% | 0.748 | S | S | * | * | | | trans | 178.3 | 100.5 | 142.8 | 42.7 | 0 | 0 | 0 | 0 | 109.8 | L197 | L197-T199 PolarHBondContact O-N 3.4Š|
| 200 | P | 53.8 | Low | 50.1 | Low | 113 Ų | 113 | 122.4 Ų | 122.4 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | | | trans | -90 | 111.4 | 143.7 | 29.6 | -18 | 0 | 0 | 0 | 106.5 | | |
| 201 | Q | 42.6 | Very low | 50.8 | Low | 180 Ų | 180 | 123.4 Ų | 123.4 | 84% | 0.841 | 75% | 0.75 | S | S | * | * | | | trans | -159.8 | 101.7 | 158.3 | -108.1 | 141.2 | 39.3 | 0 | 0 | 111.6 | | |
| 202 | H | 51.3 | Low | 51.4 | Low | 168 Ų | 168 | 121.6 Ų | 121.6 | 78% | 0.778 | 75% | 0.747 | S | S | * | * | | | trans | -36.5 | 150.2 | 149 | -63.5 | -98.6 | 0 | 0 | 0 | 110.6 | P204 | H202-P204 WeakPolarHBondContact O-CD 3.28Å; H202-P204 VanDerWaalsContact O-N 3.11Å |
| 203 | P | 55 | Low | 52 | Low | 107 Ų | 107 | 121.3 Ų | 121.3 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | | | trans | -47.9 | 125.2 | 168.3 | -20.9 | 30.2 | 0 | 0 | 0 | 108.7 | I205 | P203-I205 PolarHBondContact O-N 3.18Š|
| 204 | P | 51.9 | Low | 52.5 | Low | 125 Ų | 125 | 123.1 Ų | 123.1 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | | | trans | -67.2 | 94 | 171.1 | 25.7 | -29.6 | 0 | 0 | 0 | 106.6 | H202 G206 | H202-P204 WeakPolarHBondContact O-CD 3.28Å; H202-P204 VanDerWaalsContact O-N 3.11Å; P204-G206 PolarHBondContact O-N 3.47Å |
| 205 | I | 52.7 | Low | 52.4 | Low | 138 Ų | 138 | 130.7 Ų | 130.7 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | | | trans | -60.9 | 110 | 162.6 | -61.3 | 174.7 | 0 | 0 | 0 | 103.9 | P203 | P203-I205 PolarHBondContact O-N 3.18Š|
| 206 | G | 55.9 | Low | 52.6 | Low | 55 Ų | 55 | 135.3 Ų | 135.3 | 57% | 0.567 | 76% | 0.757 | S | S | * | * | | | trans | -48.2 | 149.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P204 H208 | P204-G206 PolarHBondContact O-N 3.47Å; G206-H208 PolarHBondContact O-N 3.06Å; G206-H208 PolarHBondContact O-ND1 2.91Å |
| 207 | A | 48.7 | Very low | 53.5 | Low | 102 Ų | 102 | 132.9 Ų | 132.9 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | | | trans | -48.1 | 104.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | P209 | A207-P209 VanDerWaalsContact O-CD 3.28Å; A207-P209 WeakPolarHBondContact O-CD 3.45Å |
| 208 | H | 47.9 | Very low | 53.9 | Low | 129 Ų | 129 | 133.6 Ų | 133.6 | 60% | 0.597 | 75% | 0.75 | S | S | * | * | | | trans | -69.7 | 115.7 | 167.7 | 6.9 | -70.3 | 0 | 0 | 0 | 104.3 | G206 V210 | G206-H208 PolarHBondContact O-N 3.06Å; G206-H208 PolarHBondContact O-ND1 2.91Å; H208-V210 PolarHBondContact O-N 2.99Å |
| 209 | P | 54.4 | Low | 54.3 | Low | 111 Ų | 111 | 130.5 Ų | 130.5 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | | | trans | -61.7 | 113.7 | 173 | 25.9 | -31.6 | 0 | 0 | 0 | 106.6 | A207 T211 | A207-P209 VanDerWaalsContact O-CD 3.28Å; A207-P209 WeakPolarHBondContact O-CD 3.45Å; P209-T211 PolarHBondContact O-N 3.4Å |
| 210 | V | 61.3 | Low | 54.9 | Low | 128 Ų | 128 | 131.6 Ų | 131.6 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | | | trans | -70.1 | 89.2 | 165.5 | 178.6 | 0 | 0 | 0 | 0 | 105.5 | H208 V212 | H208-V210 PolarHBondContact O-N 2.99Å; V210-V212 PolarHBondContact O-N 2.83Å; V210-V212 VanDerWaalsContact O-N 3.1Å |
| 211 | T | 61.3 | Low | 55.1 | Low | 115 Ų | 115 | 130.3 Ų | 130.3 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | | | trans | -72.5 | 100.7 | 169.6 | -52.2 | 0 | 0 | 0 | 0 | 107.2 | P209 P213 | P209-T211 PolarHBondContact O-N 3.4Å; T211-P213 WeakPolarHBondContact O-CD 3.43Å |
| 212 | V | 62.8 | Low | 55.8 | Low | 114 Ų | 114 | 125 Ų | 125 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | | | trans | -58 | 124.4 | 164 | -103.9 | 0 | 0 | 0 | 0 | 107.8 | V210 T214 | V210-V212 PolarHBondContact O-N 2.83Å; V210-V212 VanDerWaalsContact O-N 3.1Å; V212-T214 PolarHBondContact O-N 3.14Å |
| 213 | P | 59 | Low | 55.5 | Low | 112 Ų | 112 | 126.3 Ų | 126.3 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | | | trans | -62.9 | 115.4 | 173.7 | 20.4 | -25.9 | 0 | 0 | 0 | 108.1 | T211 Y215 | T211-P213 WeakPolarHBondContact O-CD 3.43Å; P213-Y215 PolarHBondContact O-N 3.02Å; P213-Y215 VanDerWaalsContact O-N 3.07Å |
| 214 | T | 64.3 | Low | 55.4 | Low | 135 Ų | 135 | 126.2 Ų | 126.2 | 83% | 0.828 | 74% | 0.737 | S | S | * | * | | | trans | -59.7 | 113.4 | 168.1 | -69.5 | 0 | 0 | 0 | 0 | 106.9 | V212 R216 | V212-T214 PolarHBondContact O-N 3.14Å; T214-R216 PolarHBondContact O-N 2.84Å |
| 215 | Y | 45.9 | Very low | 55.3 | Low | 221 Ų | 221 | 130.1 Ų | 130.1 | 87% | 0.867 | 74% | 0.737 | S | S | * | * | | | trans | -57.2 | 115 | 171.4 | -105.5 | -95.3 | 0 | 0 | 0 | 108 | P213 | P213-Y215 PolarHBondContact O-N 3.02Å; P213-Y215 VanDerWaalsContact O-N 3.07Å |
| 216 | R | 53.4 | Low | 55.8 | Low | 225 Ų | 225 | 128.7 Ų | 128.7 | 85% | 0.849 | 73% | 0.734 | S | S | * | * | | | trans | -62.1 | 129.6 | 170.9 | -174.6 | 178.6 | -178.3 | 133 | -0.5 | 107.2 | T214 Q218 | T214-R216 PolarHBondContact O-N 2.84Å; R216-Q218 PolarHBondContact O-N 3.24Å |
| 217 | P | 61 | Low | 55.9 | Low | 112 Ų | 112 | 130.6 Ų | 130.6 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | | | trans | -56.3 | 127.7 | 172.3 | 20.1 | -28.5 | 0 | 0 | 0 | 108.4 | G219 | P217-G219 PolarHBondContact O-N 3.29Š|
| 218 | Q | 49.9 | Very low | 56.3 | Low | 179 Ų | 179 | 131.4 Ų | 131.4 | 84% | 0.836 | 73% | 0.733 | S | S | * | * | | | trans | -57.7 | 110.6 | 177.7 | -171.9 | 174.5 | -2.7 | 0 | 0 | 107.5 | R216 T220 | R216-Q218 PolarHBondContact O-N 3.24Å; Q218-T220 PolarHBondContact O-N 3.24Å |
| 219 | G | 63.9 | Low | 56.6 | Low | 60 Ų | 60 | 133.1 Ų | 133.1 | 62% | 0.619 | 74% | 0.741 | S | S | * | * | | | trans | -57 | 139.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | P217 P221 | P217-G219 PolarHBondContact O-N 3.29Å; G219-P221 WeakPolarHBondContact O-CD 3.34Å |
| 220 | T | 56.7 | Low | 56.6 | Low | 135 Ų | 135 | 142.9 Ų | 142.9 | 83% | 0.828 | 76% | 0.764 | S | S | * | * | | | trans | -47 | 120.5 | 177.1 | -50.2 | 0 | 0 | 0 | 0 | 110.1 | Q218 G222 | Q218-T220 PolarHBondContact O-N 3.24Å; T220-G222 PolarHBondContact O-N 3.28Å |
| 221 | P | 58.2 | Low | 56.4 | Low | 85 Ų | 85 | 143.6 Ų | 143.6 | 55% | 0.552 | 76% | 0.763 | S | S | * | * | | | trans | -64.7 | 97.9 | 173.6 | -19.8 | 32.2 | 0 | 0 | 0 | 109.1 | G219 Y223 | G219-P221 WeakPolarHBondContact O-CD 3.34Å; P221-Y223 PolarHBondContact O-N 3.29Å; P221-Y223 VanDerWaalsContact O-N 3.11Å |
| 222 | G | 56.1 | Low | 56.1 | Low | 70 Ų | 70 | 145.1 Ų | 145.1 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | | | trans | -69.9 | 102.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | T220 S224 | T220-G222 PolarHBondContact O-N 3.28Å; G222-S224 VanDerWaalsContact C-N 3.27Å; G222-S224 PolarHBondContact O-N 3.47Å |
| 223 | Y | 45.9 | Very low | 55.7 | Low | 194 Ų | 194 | 146.8 Ų | 146.8 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | | | trans | -66.4 | 90.1 | 168 | -71.4 | -84.5 | 0 | 0 | 0 | 108.6 | P221 Y225 | P221-Y223 PolarHBondContact O-N 3.29Å; P221-Y223 VanDerWaalsContact O-N 3.11Å; Y223-Y225 PolarHBondContact O-N 3.45Å |
| 224 | S | 53.2 | Low | 55.6 | Low | 106 Ų | 106 | 148.9 Ų | 148.9 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | | | trans | -80.5 | 99.2 | 165 | -165.7 | 0 | 0 | 0 | 0 | 107.5 | G222 V226 | G222-S224 VanDerWaalsContact C-N 3.27Å; G222-S224 PolarHBondContact O-N 3.47Å; S224-V226 PolarHBondContact O-N 3.22Å; S224-V226 VanDerWaalsContact O-N 3.13Å |
| 225 | Y | 49.3 | Very low | 55 | Low | 207 Ų | 207 | 149.8 Ų | 149.8 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | | | trans | -71 | 101.5 | 168.7 | -83.2 | -89.7 | 0 | 0 | 0 | 108.3 | Y223 | Y223-Y225 PolarHBondContact O-N 3.45Š|
| 226 | V | 62.3 | Low | 55.6 | Low | 107 Ų | 107 | 145 Ų | 145 | 65% | 0.648 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 120.4 | 161.3 | -172.5 | 0 | 0 | 0 | 0 | 107 | S224 | S224-V226 PolarHBondContact O-N 3.22Å; S224-V226 VanDerWaalsContact O-N 3.13Å |
| 227 | P | 58 | Low | 55.8 | Low | 96 Ų | 96 | 139.3 Ų | 139.3 | 62% | 0.623 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 144.5 | -179.9 | -16.1 | 29.4 | 0 | 0 | 0 | 110.9 | H229 | P227-H229 PolarHBondContact O-N 3.09Š|
| 228 | P | 58.4 | Low | 55.4 | Low | 118 Ų | 118 | 141.4 Ų | 141.4 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 123.5 | 173.5 | 6.9 | 4.7 | 0 | 0 | 0 | 109.3 | | |
| 229 | H | 53.9 | Low | 55.8 | Low | 165 Ų | 165 | 138.3 Ų | 138.3 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 129.9 | 165.7 | -18.3 | -84.7 | 0 | 0 | 0 | 107.7 | P227 | P227-H229 PolarHBondContact O-N 3.09Š|
| 230 | W | 53.9 | Low | 55.1 | Low | 316 Ų | 316 | 145.4 Ų | 145.4 | 100% | 1.197 | 77% | 0.765 | S | S | * | * | | | trans | -72.2 | 0 | 177 | -1.5 | -84.3 | 0 | 0 | 0 | 111.2 | | |