| 1 | M | 34.5 | Very low | 37.1 | Very low | 237 Ų | 237 | 151.1 Ų | 151.1 | 100% | 1.167 | 76% | 0.757 | S | S | * | * | | | | 0 | 96.2 | 0 | -74.9 | 168.3 | 53.4 | 0 | 0 | 106.8 | | |
| 2 | L | 35.5 | Very low | 37.1 | Very low | 172 Ų | 172 | 150.2 Ų | 150.2 | 90% | 0.901 | 76% | 0.756 | S | S | * | * | | | trans | -92.1 | 111.5 | 169.9 | -71.9 | 166.2 | 0 | 0 | 0 | 104.8 | E4 | L2-E4 PolarHBondContact O-N 3.23Å; L2-E4 VanDerWaalsContact O-N 3.08Å |
| 3 | E | 37.9 | Very low | 37.3 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | | | trans | -57.6 | 111.9 | 172.4 | -83.4 | 170.8 | 150.9 | 0 | 0 | 107.8 | L5 | E3-L5 VanDerWaalsContact C-N 3.31Å; E3-L5 PolarHBondContact O-N 3.42Å |
| 4 | E | 37.8 | Very low | 37 | Very low | 176 Ų | 176 | 148.8 Ų | 148.8 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | | | trans | -64.3 | 98.4 | 167.3 | -71.4 | -178 | 171.8 | 0 | 0 | 106.7 | L2 Y6 | L2-E4 PolarHBondContact O-N 3.23Å; L2-E4 VanDerWaalsContact O-N 3.08Å; E4-Y6 PolarHBondContact O-N 3.29Å |
| 5 | L | 32.7 | Very low | 36.6 | Very low | 154 Ų | 154 | 148 Ų | 148 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | | | trans | -55.7 | 103.3 | 171.5 | -80.7 | 157.4 | 0 | 0 | 0 | 108 | E3 I7 | E3-L5 VanDerWaalsContact C-N 3.31Å; E3-L5 PolarHBondContact O-N 3.42Å; L5-I7 PolarHBondContact O-N 2.93Å |
| 6 | Y | 33.5 | Very low | 36.5 | Very low | 174 Ų | 174 | 145.9 Ų | 145.9 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | | | trans | -62.7 | 122.9 | 176.9 | -121.4 | -104.2 | 0 | 0 | 0 | 108.1 | E4 D8 D9 | E4-Y6 PolarHBondContact O-N 3.29Å; Y6-D8 PolarHBondContact O-N 3.35Å; Y6-D9 PolarHBondContact O-N 2.81Å |
| 7 | I | 41.8 | Very low | 36.3 | Very low | 136 Ų | 136 | 147.3 Ų | 147.3 | 70% | 0.697 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -15.8 | -174.4 | -64 | 169.6 | 0 | 0 | 0 | 111.9 | L5 D9 L10 | L5-I7 PolarHBondContact O-N 2.93Å; I7-D9 PolarHBondContact O-N 3.31Å; I7-L10 PolarHBondContact O-N 3.11Å |
| 8 | D | 43.2 | Very low | 36.2 | Very low | 104 Ų | 104 | 147 Ų | 147 | 56% | 0.556 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -63.2 | -28.4 | 177.6 | -67.5 | -24.7 | 0 | 0 | 0 | 112.5 | Y6 L10 S11 | Y6-D8 PolarHBondContact O-N 3.35Å; D8-L10 PolarHBondContact O-N 3.24Å; D8-S11 PolarHBondContact O-N 2.92Å; D8-S11 VanDerWaalsContact O-N 3.07Å; D8-S11 PolarHBondContact O-OG 3.26Å |
| 9 | D | 43.8 | Very low | 36.2 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 67% | 0.674 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -67 | -18.6 | 174.9 | -76.9 | -11.7 | 0 | 0 | 0 | 113.2 | Y6 I7 | Y6-D9 PolarHBondContact O-N 2.81Å; I7-D9 PolarHBondContact O-N 3.31Å |
| 10 | L | 36.7 | Very low | 35.9 | Very low | 133 Ų | 133 | 141.9 Ų | 141.9 | 70% | 0.696 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -87 | -17.8 | 174.3 | -90.2 | 133.5 | 0 | 0 | 0 | 113 | I7 D8 | I7-L10 PolarHBondContact O-N 3.11Å; D8-L10 PolarHBondContact O-N 3.24Å |
| 11 | S | 31 | Very low | 35.7 | Very low | 68 Ų | 68 | 141.9 Ų | 141.9 | 48% | 0.476 | 74% | 0.741 | S | S | . | * | H | α-helix | trans | -84.9 | -22.1 | -176 | 70.6 | 0 | 0 | 0 | 0 | 113.7 | D8 V13 H14 | D8-S11 PolarHBondContact O-N 2.92Å; D8-S11 VanDerWaalsContact O-N 3.07Å; D8-S11 PolarHBondContact O-OG 3.26Å; S11-V13 VanDerWaalsContact C-N 3.25Å; S11-V13 PolarHBondContact O-N 3.17Å; S11-H14 PolarHBondContact O-N 3.49Å |
| 12 | D | 36.3 | Very low | 35.6 | Very low | 140 Ų | 140 | 142.3 Ų | 142.3 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -7.9 | -179.6 | -111.9 | -0.8 | 0 | 0 | 0 | 114.1 | H14 | D12-H14 VanDerWaalsContact C-N 3.31Å; D12-H14 PolarHBondContact O-N 2.73Å |
| 13 | V | 39.8 | Very low | 35.5 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 70% | 0.697 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -14.4 | 177.6 | -173.2 | 0 | 0 | 0 | 0 | 112.2 | S11 | S11-V13 VanDerWaalsContact C-N 3.25Å; S11-V13 PolarHBondContact O-N 3.17Å |
| 14 | H | 33.2 | Very low | 35.3 | Very low | 166 Ų | 166 | 136.7 Ų | 136.7 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -105.9 | -0.1 | -170.5 | -86.2 | -57.7 | 0 | 0 | 0 | 117.1 | S11 D12 | S11-H14 PolarHBondContact O-N 3.49Å; D12-H14 VanDerWaalsContact C-N 3.31Å; D12-H14 PolarHBondContact O-N 2.73Å |
| 15 | N | 31.1 | Very low | 35.2 | Very low | 137 Ų | 137 | 133 Ų | 133 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | | | trans | -111.4 | 3.4 | -176.6 | -84.4 | -22.5 | 0 | 0 | 0 | 116.5 | N17 | N15-N17 VanDerWaalsContact C-N 3.3Å; N15-N17 PolarHBondContact O-N 2.86Å |
| 16 | D | 35.2 | Very low | 35.1 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 61% | 0.61 | 71% | 0.706 | S | S | * | * | | | trans | -79.8 | 86.3 | 168.1 | -96.4 | -25.4 | 0 | 0 | 0 | 110.4 | K18 | D16-K18 PolarHBondContact O-N 3.22Å; D16-K18 IonicContact OD1-NZ 2.79Å; D16-K18 PolarHBondContact OD1-NZ 2.78Å; D16-K18 IonicContact OD2-NZ 3.49Å; D16-K18 PolarHBondContact OD2-NZ 3.09Å |
| 17 | N | 33.4 | Very low | 35.1 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 91% | 0.909 | 71% | 0.706 | S | S | * | * | | | trans | -57 | 23.4 | 159.3 | -103.8 | -21.6 | 0 | 0 | 0 | 113.7 | N15 T19 | N15-N17 VanDerWaalsContact C-N 3.3Å; N15-N17 PolarHBondContact O-N 2.86Å; N17-T19 PolarHBondContact O-N 3.26Å |
| 18 | K | 34.6 | Very low | 34.5 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 62% | 0.617 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -94.4 | 96.2 | 175 | -66.4 | -179.4 | -170.7 | 118.4 | 0 | 106.9 | D16 G20 | D16-K18 PolarHBondContact O-N 3.22Å; D16-K18 IonicContact OD1-NZ 2.79Å; D16-K18 PolarHBondContact OD1-NZ 2.78Å; D16-K18 IonicContact OD2-NZ 3.49Å; D16-K18 PolarHBondContact OD2-NZ 3.09Å; K18-G20 PolarHBondContact O-N 2.78Å |
| 19 | T | 35 | Very low | 34.3 | Very low | 138 Ų | 138 | 131.9 Ų | 131.9 | 85% | 0.847 | 71% | 0.71 | S | S | * | * | | | trans | 17.5 | 40.7 | 134.8 | 32.6 | 0 | 0 | 0 | 0 | 118.8 | N17 N21 | N17-T19 PolarHBondContact O-N 3.26Å; T19-N21 PolarHBondContact O-N 2.86Å |
| 20 | G | 30.3 | Very low | 33.6 | Very low | 53 Ų | 53 | 135.6 Ų | 135.6 | 55% | 0.546 | 71% | 0.714 | S | S | . | * | | | trans | -79.7 | 82.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | K18 W22 | K18-G20 PolarHBondContact O-N 2.78Å; G20-W22 VanDerWaalsContact C-N 3.31Å; G20-W22 VanDerWaalsContact O-CD1 3.24Å; G20-W22 PolarHBondContact O-N 2.86Å |
| 21 | N | 32 | Very low | 33.5 | Very low | 142 Ų | 142 | 136 Ų | 136 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | | | trans | -51.2 | 104.8 | 164.4 | -78 | -18.4 | 0 | 0 | 0 | 106.7 | T19 T23 | T19-N21 PolarHBondContact O-N 2.86Å; N21-T23 PolarHBondContact O-N 2.92Å |
| 22 | W | 33.1 | Very low | 33.7 | Very low | 246 Ų | 246 | 136.5 Ų | 136.5 | 93% | 0.932 | 72% | 0.72 | S | S | * | * | | | trans | -61.5 | 92.1 | 168.4 | -73.5 | 77.7 | 0 | 0 | 0 | 106 | G20 S24 | G20-W22 VanDerWaalsContact C-N 3.31Å; G20-W22 VanDerWaalsContact O-CD1 3.24Å; G20-W22 PolarHBondContact O-N 2.86Å; W22-S24 PolarHBondContact O-N 2.77Å |
| 23 | T | 32.8 | Very low | 33.6 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 74% | 0.742 | 72% | 0.724 | S | S | * | * | | | trans | -62.3 | 107.2 | 171.8 | 49.6 | 0 | 0 | 0 | 0 | 105.8 | N21 S25 | N21-T23 PolarHBondContact O-N 2.92Å; T23-S25 PolarHBondContact O-N 2.8Å |
| 24 | S | 35.2 | Very low | 33.3 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | | | trans | -67 | 33 | 177.4 | 67.1 | 0 | 0 | 0 | 0 | 112.7 | W22 N26 | W22-S24 PolarHBondContact O-N 2.77Å; S24-N26 PolarHBondContact O-N 2.91Å |
| 25 | S | 34.8 | Very low | 33.2 | Very low | 99 Ų | 99 | 146.3 Ų | 146.3 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | | | trans | -90.6 | 11.5 | -164.1 | -164.5 | 0 | 0 | 0 | 0 | 114 | T23 | T23-S25 PolarHBondContact O-N 2.8Š|
| 26 | N | 30 | Very low | 33.4 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -130.1 | -0.9 | -178.7 | -123.7 | -0.3 | 0 | 0 | 0 | 117.7 | S24 | S24-N26 PolarHBondContact O-N 2.91Š|
| 27 | D | 33.4 | Very low | 33.4 | Very low | 128 Ų | 128 | 145.1 Ų | 145.1 | 68% | 0.684 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -89.8 | -19.9 | 177 | -73.4 | -27.5 | 0 | 0 | 0 | 114 | L31 | D27-L31 PolarHBondContact O-N 3.2Š|
| 28 | R | 30.6 | Very low | 33.7 | Very low | 232 Ų | 232 | 146.6 Ų | 146.6 | 88% | 0.875 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -76 | -27.7 | 178.8 | -95.7 | -175.8 | 171.1 | -174.8 | -1.9 | 114.5 | S32 | R28-S32 PolarHBondContact O-OG 2.88Å |
| 29 | S | 38 | Very low | 33.8 | Very low | 65 Ų | 65 | 143.7 Ų | 143.7 | 46% | 0.455 | 72% | 0.718 | S | S | . | * | H | α-helix | trans | -86.1 | -17.1 | -178.1 | 44.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 30 | R | 29.4 | Very low | 33.6 | Very low | 205 Ų | 205 | 142.2 Ų | 142.2 | 77% | 0.774 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -92 | -32.4 | 173.8 | -73.4 | -176 | 71.6 | -176.9 | -0 | 113.7 | | |
| 31 | L | 33.5 | Very low | 34 | Very low | 141 Ų | 141 | 144.1 Ų | 144.1 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -78.6 | -19.2 | 179.3 | -110.5 | 89.4 | 0 | 0 | 0 | 114.7 | D27 R33 | D27-L31 PolarHBondContact O-N 3.2Å; L31-R33 VanDerWaalsContact C-N 3.32Å; L31-R33 PolarHBondContact O-N 3.04Å |
| 32 | S | 36.9 | Very low | 34.4 | Very low | 79 Ų | 79 | 142.8 Ų | 142.8 | 55% | 0.552 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -78.8 | -10.3 | -177 | 43 | 0 | 0 | 0 | 0 | 114.7 | R28 | R28-S32 PolarHBondContact O-OG 2.88Š|
| 33 | R | 33.6 | Very low | 34.8 | Very low | 221 Ų | 221 | 138.6 Ų | 138.6 | 83% | 0.834 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -90.8 | -5.6 | 174.5 | -63.7 | -165.3 | -148.7 | -175.4 | 5.3 | 114.7 | L31 | L31-R33 VanDerWaalsContact C-N 3.32Å; L31-R33 PolarHBondContact O-N 3.04Å |
| 34 | Y | 32.9 | Very low | 35 | Very low | 180 Ų | 180 | 139.3 Ų | 139.3 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -107.1 | 43.5 | 168.2 | -82.2 | -85.6 | 0 | 0 | 0 | 110.7 | E36 | Y34-E36 HydrophobicContact CD1-CG 4.06Å; Y34-E36 WeakPolarHBondContact CE1-OE1 3.43Å; Y34-E36 PolarHBondContact O-N 3.37Å |
| 35 | R | 32.3 | Very low | 34.9 | Very low | 225 Ų | 225 | 139.7 Ų | 139.7 | 85% | 0.849 | 69% | 0.694 | S | S | * | * | | | trans | -76.4 | 71 | 142.9 | -82.1 | -171.5 | 174.4 | 179.7 | -1.9 | 106.6 | S37 | R35-S37 VanDerWaalsContact C-N 3.26Å; R35-S37 PolarHBondContact O-N 3.38Å |
| 36 | E | 35.1 | Very low | 34.9 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 57% | 0.565 | 69% | 0.692 | S | S | * | * | | | trans | -57.4 | 107.9 | 151.1 | -79.1 | 175.6 | 176.6 | 0 | 0 | 104.4 | Y34 Y38 | Y34-E36 HydrophobicContact CD1-CG 4.06Å; Y34-E36 WeakPolarHBondContact CE1-OE1 3.43Å; Y34-E36 PolarHBondContact O-N 3.37Å; E36-Y38 PolarHBondContact O-N 3.02Å |
| 37 | S | 33.8 | Very low | 35.2 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 74% | 0.741 | 70% | 0.699 | S | S | * | * | | | trans | -50.7 | 90.5 | 161.7 | -55 | 0 | 0 | 0 | 0 | 106.3 | R35 C39 | R35-S37 VanDerWaalsContact C-N 3.26Å; R35-S37 PolarHBondContact O-N 3.38Å; S37-C39 PolarHBondContact O-N 3.06Å |
| 38 | Y | 40.1 | Very low | 35.4 | Very low | 201 Ų | 201 | 142.9 Ų | 142.9 | 79% | 0.788 | 71% | 0.707 | S | S | * | * | | | trans | -60 | 97.6 | 155.9 | -78.6 | -79.6 | 0 | 0 | 0 | 104 | E36 S40 | E36-Y38 PolarHBondContact O-N 3.02Å; Y38-S40 PolarHBondContact O-N 2.77Å; Y38-S40 VanDerWaalsContact O-N 3.13Å |
| 39 | C | 36.2 | Very low | 35.5 | Very low | 81 Ų | 81 | 136.9 Ų | 136.9 | 55% | 0.547 | 70% | 0.699 | S | S | . | * | | | trans | -45.9 | 123.7 | 172.8 | -66.3 | 0 | 0 | 0 | 0 | 107 | S37 D41 | S37-C39 PolarHBondContact O-N 3.06Å; C39-D41 HydrophobicContact CB-CB 4.14Å; C39-D41 PolarHBondContact O-N 2.81Å |
| 40 | S | 32.7 | Very low | 35.1 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 74% | 0.741 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -60.3 | 20.8 | 167.7 | -31.4 | 0 | 0 | 0 | 0 | 112.8 | Y38 | Y38-S40 PolarHBondContact O-N 2.77Å; Y38-S40 VanDerWaalsContact O-N 3.13Å |
| 41 | D | 36.9 | Very low | 35.3 | Very low | 94 Ų | 94 | 138.6 Ų | 138.6 | 50% | 0.503 | 72% | 0.715 | S | S | . | * | G | 310 helix | trans | -100.4 | 9.8 | -171.8 | -61.3 | -28.8 | 0 | 0 | 0 | 112.1 | C39 D43 L44 | C39-D41 HydrophobicContact CB-CB 4.14Å; C39-D41 PolarHBondContact O-N 2.81Å; D41-D43 PolarHBondContact O-N 3.17Å; D41-L44 PolarHBondContact O-N 3.15Å |
| 42 | V | 41.4 | Very low | 35.1 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 69% | 0.691 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -64.9 | -19.5 | 167.2 | -174.3 | 0 | 0 | 0 | 0 | 110.7 | L44 | V42-L44 PolarHBondContact O-N 3.5Š|
| 43 | D | 41 | Very low | 34.6 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 85% | 0.845 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -75.2 | -3.7 | 170.9 | -69 | -21 | 0 | 0 | 0 | 113.7 | D41 | D41-D43 PolarHBondContact O-N 3.17Š|
| 44 | L | 36.9 | Very low | 34.5 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 71% | 0.712 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -112 | 3.9 | 179.5 | -82.8 | 162.7 | 0 | 0 | 0 | 114.4 | D41 V42 P46 | D41-L44 PolarHBondContact O-N 3.15Å; V42-L44 PolarHBondContact O-N 3.5Å; L44-P46 WeakPolarHBondContact O-CD 3.36Å |
| 45 | L | 33 | Very low | 34.3 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 64% | 0.644 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -72.3 | 113.7 | 164.1 | -76.1 | 170.5 | 0 | 0 | 0 | 107.8 | L47 | L45-L47 PolarHBondContact O-N 3.2Š|
| 46 | P | 34.7 | Very low | 34.2 | Very low | 101 Ų | 101 | 127 Ų | 127 | 66% | 0.656 | 70% | 0.703 | S | S | * | * | | | trans | -54.5 | 135.1 | 172 | 22.4 | -30.7 | 0 | 0 | 0 | 107.6 | L44 L48 | L44-P46 WeakPolarHBondContact O-CD 3.36Å; P46-L48 PolarHBondContact O-N 3.35Å |
| 47 | L | 36.4 | Very low | 33.9 | Very low | 149 Ų | 149 | 128.8 Ų | 128.8 | 78% | 0.78 | 71% | 0.711 | S | S | * | * | | | trans | -48.4 | 103.2 | 174.8 | -95.6 | 85.2 | 0 | 0 | 0 | 108.2 | L45 C49 T50 | L45-L47 PolarHBondContact O-N 3.2Å; L47-C49 CarbonylContact O-C 3.59Å; L47-C49 PolarHBondContact O-N 3.11Å; L47-T50 PolarHBondContact O-N 2.9Å |
| 48 | L | 39.1 | Very low | 33.9 | Very low | 162 Ų | 162 | 132.4 Ų | 132.4 | 85% | 0.848 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -67.6 | 4 | 174.1 | -81.5 | 164.7 | 0 | 0 | 0 | 112.2 | P46 | P46-L48 PolarHBondContact O-N 3.35Š|
| 49 | C | 32.4 | Very low | 33.6 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 72% | 0.716 | 71% | 0.711 | S | S | * | * | | | trans | -101.4 | 63.9 | 164.5 | -57.8 | 0 | 0 | 0 | 0 | 109 | L47 K51 | L47-C49 CarbonylContact O-C 3.59Å; L47-C49 PolarHBondContact O-N 3.11Å; C49-K51 PolarHBondContact O-N 2.9Å |
| 50 | T | 29.7 | Very low | 33.5 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | | | trans | -59.4 | 97 | 151.6 | -1.9 | 0 | 0 | 0 | 0 | 105 | L47 V52 | L47-T50 PolarHBondContact O-N 2.9Å; T50-V52 VanDerWaalsContact C-N 3.27Å; T50-V52 PolarHBondContact O-N 2.71Å |
| 51 | K | 32.1 | Very low | 33.6 | Very low | 185 Ų | 185 | 134.4 Ų | 134.4 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | | | trans | -50.9 | 106.5 | 159 | -93.9 | -178.6 | 173.5 | 178.9 | 0 | 104.5 | C49 T53 | C49-K51 PolarHBondContact O-N 2.9Å; K51-T53 PolarHBondContact O-N 2.87Å |
| 52 | V | 29.6 | Very low | 33.5 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 74% | 0.739 | 73% | 0.734 | S | S | * | * | | | trans | -64.4 | 88.9 | 161.8 | -178.3 | 0 | 0 | 0 | 0 | 103.9 | T50 V54 | T50-V52 VanDerWaalsContact C-N 3.27Å; T50-V52 PolarHBondContact O-N 2.71Å; V52-V54 HydrophobicContact CG1-CG2 3.77Å; V52-V54 PolarHBondContact O-N 2.93Å |
| 53 | T | 27.1 | Very low | 33 | Very low | 109 Ų | 109 | 138 Ų | 138 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | | | trans | -64.7 | 91 | 159.5 | 37.9 | 0 | 0 | 0 | 0 | 104.6 | K51 D55 | K51-T53 PolarHBondContact O-N 2.87Å; T53-D55 VanDerWaalsContact C-N 3.35Å; T53-D55 PolarHBondContact O-N 3.24Å; T53-D55 VanDerWaalsContact O-N 3.1Å |
| 54 | V | 32.1 | Very low | 32.7 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 61% | 0.606 | 72% | 0.722 | S | S | * | * | | | trans | -66.1 | 106.8 | 162 | -172.4 | 0 | 0 | 0 | 0 | 104 | V52 I56 | V52-V54 HydrophobicContact CG1-CG2 3.77Å; V52-V54 PolarHBondContact O-N 2.93Å; V54-I56 HydrophobicContact CB-CD1 4.43Å; V54-I56 HydrophobicContact CB-CG1 3.93Å; V54-I56 HydrophobicContact CG1-CD1 4.13Å; V54-I56 HydrophobicContact CG1-CG1 3.4Å; V54-I56 PolarHBondContact O-N 2.88Å |
| 55 | D | 28.6 | Very low | 32.8 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | | | trans | -64.2 | 77.3 | 163.7 | -79.9 | -31.9 | 0 | 0 | 0 | 106.9 | T53 H57 | T53-D55 VanDerWaalsContact C-N 3.35Å; T53-D55 PolarHBondContact O-N 3.24Å; T53-D55 VanDerWaalsContact O-N 3.1Å; D55-H57 VanDerWaalsContact C-N 3.28Å; D55-H57 PolarHBondContact O-N 3.04Å |
| 56 | I | 28.9 | Very low | 32.8 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 66% | 0.656 | 73% | 0.732 | S | S | * | * | | | trans | -74.9 | 97.8 | 166.4 | -55.2 | 179.2 | 0 | 0 | 0 | 103.5 | V54 Q58 | V54-I56 HydrophobicContact CB-CD1 4.43Å; V54-I56 HydrophobicContact CB-CG1 3.93Å; V54-I56 HydrophobicContact CG1-CD1 4.13Å; V54-I56 HydrophobicContact CG1-CG1 3.4Å; V54-I56 PolarHBondContact O-N 2.88Å; I56-Q58 PolarHBondContact O-N 2.91Å |
| 57 | H | 30.3 | Very low | 32.7 | Very low | 157 Ų | 157 | 138 Ų | 138 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | | | trans | -43.6 | 114 | 160.8 | -82.6 | -77 | 0 | 0 | 0 | 106.9 | D55 D59 | D55-H57 VanDerWaalsContact C-N 3.28Å; D55-H57 PolarHBondContact O-N 3.04Å; H57-D59 PolarHBondContact O-N 2.82Å |
| 58 | Q | 32 | Very low | 32.5 | Very low | 182 Ų | 182 | 137.2 Ų | 137.2 | 85% | 0.85 | 72% | 0.723 | S | S | * | * | | | trans | -70.1 | 63 | -179 | -164.7 | 91.9 | 20.3 | 0 | 0 | 108.3 | I56 N60 | I56-Q58 PolarHBondContact O-N 2.91Å; Q58-N60 PolarHBondContact O-N 3Å |
| 59 | D | 34.6 | Very low | 32.2 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 67% | 0.674 | 72% | 0.723 | S | S | * | * | | | trans | -72.1 | 86.6 | 165.7 | -73.1 | -17.9 | 0 | 0 | 0 | 105.6 | H57 I61 | H57-D59 PolarHBondContact O-N 2.82Å; D59-I61 WeakPolarHBondContact O-CG1 3.46Å; D59-I61 PolarHBondContact O-N 3.46Å |
| 60 | N | 34.3 | Very low | 32.1 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | | | trans | 10.7 | 38.6 | 146 | -133.1 | 3.1 | 0 | 0 | 0 | 119.5 | Q58 N62 | Q58-N60 PolarHBondContact O-N 3Å; N60-N62 PolarHBondContact O-N 3.43Å |
| 61 | I | 34.7 | Very low | 32.2 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | | | trans | -92.5 | 106.9 | 175 | -64.1 | 169.5 | 0 | 0 | 0 | 106.4 | D59 N63 | D59-I61 WeakPolarHBondContact O-CG1 3.46Å; D59-I61 PolarHBondContact O-N 3.46Å; I61-N63 PolarHBondContact O-N 3.06Å |
| 62 | N | 35.1 | Very low | 32 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | | | trans | -42.7 | 131.5 | 179.8 | -69 | -48.5 | 0 | 0 | 0 | 112.5 | N60 S64 | N60-N62 PolarHBondContact O-N 3.43Å; N62-S64 PolarHBondContact O-N 3.05Å |
| 63 | N | 31.1 | Very low | 32.2 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 39.2 | -167.7 | -141.9 | 3.6 | 0 | 0 | 0 | 113.7 | I61 | I61-N63 PolarHBondContact O-N 3.06Š|
| 64 | S | 34.9 | Very low | 32.1 | Very low | 66 Ų | 66 | 145.6 Ų | 145.6 | 46% | 0.462 | 74% | 0.741 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.3 | -15.6 | -175.8 | 56.4 | 0 | 0 | 0 | 0 | 115.5 | N62 | N62-S64 PolarHBondContact O-N 3.05Š|
| 65 | D | 38.1 | Very low | 31.9 | Very low | 129 Ų | 129 | 150 Ų | 150 | 69% | 0.69 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -95.5 | -14.8 | -168.1 | -70.4 | 2.5 | 0 | 0 | 0 | 114.4 | | |
| 66 | F | 33.8 | Very low | 32 | Very low | 199 Ų | 199 | 148.5 Ų | 148.5 | 87% | 0.873 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -84.8 | -13.1 | 178.9 | -101.8 | -84.8 | 0 | 0 | 0 | 115.1 | | |
| 67 | I | 32.5 | Very low | 31.9 | Very low | 124 Ų | 124 | 150 Ų | 150 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -91.4 | -12.6 | -178.8 | -61.9 | -178.4 | 0 | 0 | 0 | 112.5 | | |
| 68 | H | 32.1 | Very low | 31.7 | Very low | 133 Ų | 133 | 151.2 Ų | 151.2 | 62% | 0.616 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -97.6 | -3 | -174.2 | -71.9 | -53.7 | 0 | 0 | 0 | 117 | | |
| 69 | L | 33.2 | Very low | 31.5 | Very low | 162 Ų | 162 | 150.2 Ų | 150.2 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -86.7 | -21.8 | 179 | -150.7 | 67.5 | 0 | 0 | 0 | 114 | | |
| 70 | A | 29.6 | Very low | 31.1 | Very low | 96 Ų | 96 | 148 Ų | 148 | 79% | 0.793 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -85.2 | -10.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 71 | Q | 30.7 | Very low | 30.6 | Very low | 166 Ų | 166 | 148.6 Ų | 148.6 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -111.8 | 4.9 | -172.3 | -80.1 | -173.1 | -7.7 | 0 | 0 | 116.3 | | |
| 72 | K | 29.7 | Very low | 30.3 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -109.5 | -1.6 | -172.8 | -95.6 | -176 | 178.3 | 176.7 | 0 | 118.9 | | |
| 73 | N | 32.8 | Very low | 29.9 | Very low | 155 Ų | 155 | 144.8 Ų | 144.8 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | | | trans | -119.6 | 53.9 | 177.6 | -68.2 | -23.9 | 0 | 0 | 0 | 113.3 | | |
| 74 | Y | 25.6 | Very low | 29.8 | Very low | 223 Ų | 223 | 147.3 Ų | 147.3 | 88% | 0.875 | 77% | 0.766 | S | S | * | * | | | trans | -120.8 | 86.8 | 153 | -90.1 | -87.4 | 0 | 0 | 0 | 108 | | |
| 75 | K | 27.2 | Very low | 29.4 | Very low | 194 Ų | 194 | 150 Ų | 150 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | trans | -121.5 | 105.4 | 154.9 | -95.4 | -173.9 | 177.2 | 179.4 | 0 | 107.4 | L77 | K75-L77 PolarHBondContact O-N 2.93Å; K75-L77 VanDerWaalsContact O-N 3.17Å |
| 76 | P | 31 | Very low | 28.8 | Very low | 112 Ų | 112 | 153.7 Ų | 153.7 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | -55.4 | 119.9 | 166.3 | -18.7 | 30.1 | 0 | 0 | 0 | 107.8 | K78 | P76-K78 PolarHBondContact O-N 2.81Š|
| 77 | L | 27.4 | Very low | 28.6 | Very low | 158 Ų | 158 | 149.2 Ų | 149.2 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | | | trans | -64.6 | 106.6 | 172.2 | -129.6 | 83.2 | 0 | 0 | 0 | 106.7 | K75 N79 | K75-L77 PolarHBondContact O-N 2.93Å; K75-L77 VanDerWaalsContact O-N 3.17Å; L77-N79 PolarHBondContact O-N 2.94Å |
| 78 | K | 25.8 | Very low | 28.4 | Very low | 183 Ų | 183 | 149 Ų | 149 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | | | trans | -65.1 | 112.1 | 167.5 | -73.1 | -176.1 | 172.9 | -173.2 | 0 | 107.3 | P76 S80 | P76-K78 PolarHBondContact O-N 2.81Å; K78-S80 VanDerWaalsContact C-N 3.26Å; K78-S80 PolarHBondContact O-N 3.26Å |
| 79 | N | 28.3 | Very low | 28 | Very low | 161 Ų | 161 | 148.8 Ų | 148.8 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | | | trans | -71.7 | 90.4 | 159.9 | -68.1 | -18.7 | 0 | 0 | 0 | 106.7 | L77 | L77-N79 PolarHBondContact O-N 2.94Š|
| 80 | S | 24.5 | Very low | 27.6 | Very low | 79 Ų | 79 | 147.6 Ų | 147.6 | 55% | 0.552 | 79% | 0.785 | S | S | * | * | | | trans | -127.6 | 119.5 | 169.9 | 59.9 | 0 | 0 | 0 | 0 | 109.4 | K78 | K78-S80 VanDerWaalsContact C-N 3.26Å; K78-S80 PolarHBondContact O-N 3.26Å |
| 81 | D | 25.6 | Very low | 27.7 | Very low | 166 Ų | 166 | 149.8 Ų | 149.8 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | | | trans | 72.7 | 112.9 | 144.6 | -55 | -32.3 | 0 | 0 | 0 | 119 | | |
| 82 | G | 26.4 | Very low | 27.3 | Very low | 70 Ų | 70 | 147.9 Ų | 147.9 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | | | | 142.7 | 73.4 | 123.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 83 | V | 28.7 | Very low | 27.3 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | trans | -127 | 97.4 | 144.6 | -174.9 | 0 | 0 | 0 | 0 | 109 | T85 | V83-T85 HydrophobicContact CG1-CG2 4.34Å; V83-T85 PolarHBondContact O-N 2.8Å |
| 84 | K | 27.1 | Very low | 27.2 | Very low | 206 Ų | 206 | 140.4 Ų | 140.4 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | | | trans | -64.8 | 100.6 | 164.3 | -69.5 | 171.5 | 176.9 | 172.2 | 0 | 108.5 | | |
| 85 | T | 27.8 | Very low | 27.5 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | trans | -108 | 92.8 | 154.2 | 39.3 | 0 | 0 | 0 | 0 | 108 | V83 S87 | V83-T85 HydrophobicContact CG1-CG2 4.34Å; V83-T85 PolarHBondContact O-N 2.8Å; T85-S87 PolarHBondContact O-N 3.26Å; T85-S87 VanDerWaalsContact O-N 3.1Å |
| 86 | K | 24.2 | Very low | 28.1 | Very low | 207 Ų | 207 | 135.8 Ų | 135.8 | 90% | 0.9 | 78% | 0.781 | S | S | * | * | | | trans | -64 | 103.2 | 159.8 | -83 | -178.4 | 172.9 | -178 | 0 | 107.3 | | |
| 87 | S | 31.4 | Very low | 28.3 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | trans | -124.2 | 95.2 | 155.1 | 178.6 | 0 | 0 | 0 | 0 | 106.3 | T85 N89 | T85-S87 PolarHBondContact O-N 3.26Å; T85-S87 VanDerWaalsContact O-N 3.1Å; S87-N89 PolarHBondContact O-N 3.34Å |
| 88 | V | 26.3 | Very low | 28.9 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | | | trans | -74.3 | 100.9 | 168.4 | 175.9 | 0 | 0 | 0 | 0 | 105.3 | | |
| 89 | N | 25 | Very low | 29.5 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | | | trans | -118.8 | 107.7 | 158.9 | -162.2 | 9.4 | 0 | 0 | 0 | 108.1 | S87 N91 | S87-N89 PolarHBondContact O-N 3.34Å; N89-N91 PolarHBondContact O-N 2.88Å |
| 90 | N | 25.4 | Very low | 30.2 | Very low | 137 Ų | 137 | 135 Ų | 135 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | | | trans | -72.7 | 103.4 | 173.6 | -64.2 | -34.2 | 0 | 0 | 0 | 107.4 | | |
| 91 | N | 29.9 | Very low | 31 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | | | trans | -138 | 111.6 | 154.1 | -91.1 | -23.2 | 0 | 0 | 0 | 108.2 | N89 | N89-N91 PolarHBondContact O-N 2.88Š|
| 92 | S | 23.7 | Very low | 31.9 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | | | trans | -52.8 | 129.1 | 165.3 | 51.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 93 | G | 29.4 | Very low | 32.7 | Very low | 66 Ų | 66 | 143.1 Ų | 143.1 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | | | trans | -175.3 | 97.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 94 | S | 30.9 | Very low | 33.7 | Very low | 112 Ų | 112 | 144.6 Ų | 144.6 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | | | trans | 46.4 | 113.6 | 155.4 | 55.7 | 0 | 0 | 0 | 0 | 119.8 | D96 | S94-D96 PolarHBondContact O-N 2.92Š|
| 95 | D | 32 | Very low | 34.8 | Very low | 160 Ų | 160 | 141 Ų | 141 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | | | trans | -45.8 | 119.5 | 144.9 | -61.6 | -61.4 | 0 | 0 | 0 | 110.5 | | |
| 96 | D | 39 | Very low | 36.3 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | | | trans | -145.2 | 117.3 | 145.7 | -108.2 | -26.3 | 0 | 0 | 0 | 109.6 | S94 S98 | S94-D96 PolarHBondContact O-N 2.92Å; D96-S98 PolarHBondContact O-N 3.5Å |
| 97 | R | 36 | Very low | 38.3 | Very low | 245 Ų | 245 | 134.9 Ų | 134.9 | 93% | 0.925 | 74% | 0.739 | S | S | * | * | | | trans | -79.2 | 112 | 179 | -67.6 | 169.9 | 171.1 | 173.7 | -3.7 | 108 | | |
| 98 | S | 39.2 | Very low | 39.9 | Very low | 85 Ų | 85 | 135.7 Ų | 135.7 | 59% | 0.594 | 74% | 0.735 | S | S | * | * | | | trans | -143.2 | 72.8 | 152.9 | 60.2 | 0 | 0 | 0 | 0 | 106.9 | D96 D100 | D96-S98 PolarHBondContact O-N 3.5Å; S98-D100 PolarHBondContact O-N 3.39Å |
| 99 | D | 39.7 | Very low | 41.9 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 87% | 0.866 | 73% | 0.727 | S | S | * | * | | | trans | -68.9 | 77.3 | 151.2 | -80.6 | -29.8 | 0 | 0 | 0 | 105 | D101 | D99-D101 PolarHBondContact O-N 3.09Š|
| 100 | D | 41 | Very low | 44.1 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 56% | 0.561 | 72% | 0.717 | S | S | * | * | | | trans | -64.9 | 94 | 165.5 | -66.9 | -40.4 | 0 | 0 | 0 | 104.7 | S98 Y102 | S98-D100 PolarHBondContact O-N 3.39Å; D100-Y102 HydrophobicContact CB-CE2 4.31Å; D100-Y102 WeakPolarHBondContact O-CD2 2.88Å; D100-Y102 PolarHBondContact O-N 3.41Å |
| 101 | D | 42.7 | Very low | 46.8 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 80% | 0.802 | 70% | 0.704 | S | S | * | * | | | trans | -52.9 | 91.2 | 158 | -81.4 | -37.5 | 0 | 0 | 0 | 105.6 | D99 D103 | D99-D101 PolarHBondContact O-N 3.09Å; D101-D103 PolarHBondContact O-N 3.4Å |
| 102 | Y | 43.3 | Very low | 48.6 | Very low | 199 Ų | 199 | 128.8 Ų | 128.8 | 78% | 0.78 | 68% | 0.683 | S | S | * | * | | | trans | -57.6 | 109 | 170.4 | -79.5 | -91 | 0 | 0 | 0 | 105.9 | D100 D104 | D100-Y102 HydrophobicContact CB-CE2 4.31Å; D100-Y102 WeakPolarHBondContact O-CD2 2.88Å; D100-Y102 PolarHBondContact O-N 3.41Å; Y102-D104 VanDerWaalsContact C-N 3.33Å; Y102-D104 PolarHBondContact O-N 3.08Å |
| 103 | D | 44.2 | Very low | 50.8 | Low | 138 Ų | 138 | 126.6 Ų | 126.6 | 74% | 0.738 | 66% | 0.661 | S | S | * | * | | | trans | -49.9 | 103 | 164.6 | -83.9 | -40.1 | 0 | 0 | 0 | 107.3 | D101 D105 | D101-D103 PolarHBondContact O-N 3.4Å; D103-D105 HydrophobicContact CB-CB 4.35Å; D103-D105 PolarHBondContact O-N 3.39Å |
| 104 | D | 49.3 | Very low | 53.1 | Low | 162 Ų | 162 | 127.5 Ų | 127.5 | 87% | 0.866 | 65% | 0.646 | S | S | * | * | | | trans | -63.5 | 20.5 | 164.7 | -93.9 | -26.2 | 0 | 0 | 0 | 111.7 | Y102 E106 | Y102-D104 VanDerWaalsContact C-N 3.33Å; Y102-D104 PolarHBondContact O-N 3.08Å; D104-E106 PolarHBondContact O-N 2.97Å |
| 105 | D | 51 | Low | 54.8 | Low | 129 Ų | 129 | 124.9 Ų | 124.9 | 69% | 0.69 | 62% | 0.621 | S | S | * | * | | | trans | -67.2 | 89.2 | 163.5 | -76.7 | -13.3 | 0 | 0 | 0 | 106.3 | D103 N107 | D103-D105 HydrophobicContact CB-CB 4.35Å; D103-D105 PolarHBondContact O-N 3.39Å; D105-N107 PolarHBondContact O-N 3.46Å |
| 106 | E | 58.4 | Low | 56.6 | Low | 101 Ų | 101 | 122.4 Ų | 122.4 | 47% | 0.472 | 60% | 0.603 | S | S | . | * | | | trans | -49.7 | 90.4 | 161.6 | -142.3 | -166.6 | -159.2 | 0 | 0 | 105.7 | D104 L108 W111 K114 | D104-E106 PolarHBondContact O-N 2.97Å; E106-L108 PolarHBondContact O-N 2.95Å; E106-L108 VanDerWaalsContact O-N 3.14Å; E106-W111 VanDerWaalsContact OE2-CD1 3.26Å; E106-K114 IonicContact OE1-NZ 3.42Å; E106-K114 PolarHBondContact OE1-NZ 3.25Å |
| 107 | N | 66.6 | Low | 57.9 | Low | 102 Ų | 102 | 121.9 Ų | 121.9 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | | | trans | -48.6 | 128.7 | -173.3 | -178.4 | -14.2 | 0 | 0 | 0 | 106.1 | D105 M109 N110 W111 | D105-N107 PolarHBondContact O-N 3.46Å; N107-M109 CarbonylContact O-C 3.58Å; N107-M109 PolarHBondContact O-N 3.21Å; N107-N110 WeakPolarHBondContact O-CA 3.44Å; N107-N110 WeakPolarHBondContact O-CB 3.5Å; N107-N110 PolarHBondContact O-N 2.96Å; N107-W111 PolarHBondContact O-N 2.8Å |
| 108 | L | 64.8 | Low | 59.5 | Low | 122 Ų | 122 | 116 Ų | 116 | 64% | 0.639 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -44.6 | -34.1 | -172.3 | 178.5 | 65.8 | 0 | 0 | 0 | 112.4 | E106 W111 L112 | E106-L108 PolarHBondContact O-N 2.95Å; E106-L108 VanDerWaalsContact O-N 3.14Å; L108-W111 PolarHBondContact O-N 3.01Å; L108-L112 HydrophobicContact CG-CD1 4.15Å; L108-L112 WeakPolarHBondContact O-CB 3.03Å; L108-L112 VanDerWaalsContact O-CG 3.29Å; L108-L112 WeakPolarHBondContact O-CG 3.25Å; L108-L112 PolarHBondContact O-N 3.33Å |
| 109 | M | 67.6 | Low | 60.6 | Low | 111 Ų | 111 | 117.3 Ų | 117.3 | 55% | 0.547 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.2 | -41.4 | 173 | -75.3 | -58.4 | -61.4 | 0 | 0 | 114.9 | N107 L113 | N107-M109 CarbonylContact O-C 3.58Å; N107-M109 PolarHBondContact O-N 3.21Å; M109-L113 VanDerWaalsContact O-CB 3.31Å; M109-L113 WeakPolarHBondContact O-CB 3.24Å; M109-L113 WeakPolarHBondContact O-CD1 3.44Å; M109-L113 VanDerWaalsContact O-CG 3.25Å; M109-L113 WeakPolarHBondContact O-CG 3.37Å; M109-L113 PolarHBondContact O-N 3.28Å |
| 110 | N | 72.7 | Confident | 61.3 | Low | 92 Ų | 92 | 112.7 Ų | 112.7 | 49% | 0.492 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.5 | -42.5 | 174.6 | -83.3 | -6.1 | 0 | 0 | 0 | 111.9 | N107 L113 K114 | N107-N110 WeakPolarHBondContact O-CA 3.44Å; N107-N110 WeakPolarHBondContact O-CB 3.5Å; N107-N110 PolarHBondContact O-N 2.96Å; N110-L113 PolarHBondContact O-N 3.35Å; N110-K114 VanDerWaalsContact O-CB 3.29Å; N110-K114 WeakPolarHBondContact O-CB 3.3Å; N110-K114 PolarHBondContact O-N 2.9Å |
| 111 | W | 81.5 | Confident | 61.7 | Low | 118 Ų | 118 | 111.7 Ų | 111.7 | 45% | 0.447 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.8 | -45.7 | 174.8 | -177.8 | 83.9 | 0 | 0 | 0 | 110.9 | E106 N107 L108 K114 Q115 | E106-W111 VanDerWaalsContact OE2-CD1 3.26Å; N107-W111 PolarHBondContact O-N 2.8Å; L108-W111 PolarHBondContact O-N 3.01Å; W111-K114 WeakPolarHBondContact O-CB 3.41Å; W111-K114 PolarHBondContact O-N 3.1Å; W111-Q115 HydrophobicContact CD2-CG 4.07Å; W111-Q115 HydrophobicContact CE3-CG 4.19Å; W111-Q115 HydrophobicContact CH2-CG 4Å; W111-Q115 HydrophobicContact CZ2-CG 3.87Å; W111-Q115 HydrophobicContact CZ3-CG 4.16Å; W111-Q115 WeakPolarHBondContact O-CG 3.28Å; W111-Q115 PolarHBondContact O-N 3.01Å |
| 112 | L | 67.4 | Low | 61.9 | Low | 61 Ų | 61 | 108.7 Ų | 108.7 | 32% | 0.319 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.1 | -47.3 | 175.3 | -75.1 | 169.4 | 0 | 0 | 0 | 112.3 | L108 K114 Q115 F116 | L108-L112 HydrophobicContact CG-CD1 4.15Å; L108-L112 WeakPolarHBondContact O-CB 3.03Å; L108-L112 VanDerWaalsContact O-CG 3.29Å; L108-L112 WeakPolarHBondContact O-CG 3.25Å; L108-L112 PolarHBondContact O-N 3.33Å; L112-K114 PolarHBondContact O-N 2.99Å; L112-Q115 CarbonylContact O-C 3.47Å; L112-Q115 WeakPolarHBondContact O-CB 3.38Å; L112-Q115 PolarHBondContact O-N 3.24Å; L112-Q115 VanDerWaalsContact O-N 3.11Å; L112-F116 HydrophobicContact CB-CE2 4.28Å; L112-F116 WeakPolarHBondContact O-CD2 3.23Å; L112-F116 PolarHBondContact O-N 2.91Å |
| 113 | L | 71 | Confident | 62 | Low | 79 Ų | 79 | 108.9 Ų | 108.9 | 41% | 0.414 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.4 | -33.9 | 177.1 | -79.1 | 164.6 | 0 | 0 | 0 | 112.4 | M109 N110 F116 R117 | M109-L113 VanDerWaalsContact O-CB 3.31Å; M109-L113 WeakPolarHBondContact O-CB 3.24Å; M109-L113 WeakPolarHBondContact O-CD1 3.44Å; M109-L113 VanDerWaalsContact O-CG 3.25Å; M109-L113 WeakPolarHBondContact O-CG 3.37Å; M109-L113 PolarHBondContact O-N 3.28Å; N110-L113 PolarHBondContact O-N 3.35Å; L113-F116 PolarHBondContact O-N 3.49Å; L113-R117 PolarHBondContact O-N 3.46Å |
| 114 | K | 77.8 | Confident | 61.8 | Low | 85 Ų | 85 | 108.2 Ų | 108.2 | 37% | 0.37 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.2 | -45.2 | 172.7 | -174.9 | -179.3 | -179.2 | -177.3 | 0 | 111.1 | E106 N110 W111 L112 F116 R117 E118 | E106-K114 IonicContact OE1-NZ 3.42Å; E106-K114 PolarHBondContact OE1-NZ 3.25Å; N110-K114 VanDerWaalsContact O-CB 3.29Å; N110-K114 WeakPolarHBondContact O-CB 3.3Å; N110-K114 PolarHBondContact O-N 2.9Å; W111-K114 WeakPolarHBondContact O-CB 3.41Å; W111-K114 PolarHBondContact O-N 3.1Å; L112-K114 PolarHBondContact O-N 2.99Å; K114-F116 VanDerWaalsContact C-N 3.29Å; K114-F116 PolarHBondContact O-N 2.91Å; K114-R117 PolarHBondContact O-N 2.92Å; K114-E118 WeakPolarHBondContact CE-OE1 3.34Å; K114-E118 HydrophobicContact CG-CG 4.44Å; K114-E118 WeakPolarHBondContact CG-OE1 3.33Å; K114-E118 WeakPolarHBondContact O-CB 3.48Å; K114-E118 WeakPolarHBondContact O-CG 3.34Å; K114-E118 PolarHBondContact O-N 3.48Å |
| 115 | Q | 65.5 | Low | 61.6 | Low | 57 Ų | 57 | 106.3 Ų | 106.3 | 27% | 0.266 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.5 | -36.9 | 173.3 | -65.4 | -50.8 | -69.1 | 0 | 0 | 112.1 | W111 L112 E118 N119 | W111-Q115 HydrophobicContact CD2-CG 4.07Å; W111-Q115 HydrophobicContact CE3-CG 4.19Å; W111-Q115 HydrophobicContact CH2-CG 4Å; W111-Q115 HydrophobicContact CZ2-CG 3.87Å; W111-Q115 HydrophobicContact CZ3-CG 4.16Å; W111-Q115 WeakPolarHBondContact O-CG 3.28Å; W111-Q115 PolarHBondContact O-N 3.01Å; L112-Q115 CarbonylContact O-C 3.47Å; L112-Q115 WeakPolarHBondContact O-CB 3.38Å; L112-Q115 PolarHBondContact O-N 3.24Å; L112-Q115 VanDerWaalsContact O-N 3.11Å; Q115-E118 PolarHBondContact NE2-OE2 3.05Å; Q115-N119 WeakPolarHBondContact O-CB 3.41Å; Q115-N119 VanDerWaalsContact O-CG 3.22Å; Q115-N119 PolarHBondContact O-N 2.77Å; Q115-N119 PolarHBondContact O-ND2 2.98Å |
| 116 | F | 69.6 | Low | 60.9 | Low | 107 Ų | 107 | 107.3 Ų | 107.3 | 47% | 0.469 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69 | -40.4 | 175.4 | -72.8 | -63.6 | 0 | 0 | 0 | 112.9 | L112 L113 K114 G120 L121 | L112-F116 HydrophobicContact CB-CE2 4.28Å; L112-F116 WeakPolarHBondContact O-CD2 3.23Å; L112-F116 PolarHBondContact O-N 2.91Å; L113-F116 PolarHBondContact O-N 3.49Å; K114-F116 VanDerWaalsContact C-N 3.29Å; K114-F116 PolarHBondContact O-N 2.91Å; F116-G120 PolarHBondContact O-N 2.86Å; F116-L121 HydrophobicContact CB-CB 4.44Å; F116-L121 HydrophobicContact CD1-CB 4.07Å; F116-L121 HydrophobicContact CD1-CD1 3.81Å; F116-L121 HydrophobicContact CE1-CD1 4.2Å; F116-L121 PolarHBondContact O-N 2.98Å |
| 117 | R | 67.2 | Low | 59.8 | Low | 150 Ų | 150 | 108.1 Ų | 108.1 | 57% | 0.566 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.8 | -46.1 | 175.7 | -84.7 | -176.1 | -77.2 | -140.8 | -0 | 112.6 | L113 K114 N119 G120 D122 | L113-R117 PolarHBondContact O-N 3.46Å; K114-R117 PolarHBondContact O-N 2.92Å; R117-N119 VanDerWaalsContact C-N 3.29Å; R117-N119 PolarHBondContact O-N 2.96Å; R117-G120 PolarHBondContact O-N 3.03Å; R117-G120 VanDerWaalsContact O-N 3.13Å; R117-D122 HydrophobicContact CG-CB 4.31Å |
| 118 | E | 69 | Low | 58.2 | Low | 121 Ų | 121 | 109.6 Ų | 109.6 | 57% | 0.565 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.5 | -34 | 178.3 | -73.2 | 174.5 | 178.4 | 0 | 0 | 111.9 | K114 Q115 G120 | K114-E118 WeakPolarHBondContact CE-OE1 3.34Å; K114-E118 HydrophobicContact CG-CG 4.44Å; K114-E118 WeakPolarHBondContact CG-OE1 3.33Å; K114-E118 WeakPolarHBondContact O-CB 3.48Å; K114-E118 WeakPolarHBondContact O-CG 3.34Å; K114-E118 PolarHBondContact O-N 3.48Å; Q115-E118 PolarHBondContact NE2-OE2 3.05Å; E118-G120 VanDerWaalsContact C-N 3.29Å; E118-G120 PolarHBondContact O-N 3.2Å |
| 119 | N | 63 | Low | 56.8 | Low | 113 Ų | 113 | 112.1 Ų | 112.1 | 60% | 0.604 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 6.7 | 176.1 | -67 | -48.4 | 0 | 0 | 0 | 114 | Q115 R117 L121 | Q115-N119 WeakPolarHBondContact O-CB 3.41Å; Q115-N119 VanDerWaalsContact O-CG 3.22Å; Q115-N119 PolarHBondContact O-N 2.77Å; Q115-N119 PolarHBondContact O-ND2 2.98Å; R117-N119 VanDerWaalsContact C-N 3.29Å; R117-N119 PolarHBondContact O-N 2.96Å; N119-L121 PolarHBondContact O-N 3.38Å |
| 120 | G | 53.5 | Low | 55.1 | Low | 65 Ų | 65 | 113 Ų | 113 | 67% | 0.67 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.6 | 27.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115 | F116 R117 E118 | F116-G120 PolarHBondContact O-N 2.86Å; R117-G120 PolarHBondContact O-N 3.03Å; R117-G120 VanDerWaalsContact O-N 3.13Å; E118-G120 VanDerWaalsContact C-N 3.29Å; E118-G120 PolarHBondContact O-N 3.2Å |
| 121 | L | 50.3 | Low | 53.3 | Low | 84 Ų | 84 | 115.2 Ų | 115.2 | 44% | 0.44 | 57% | 0.573 | S | S | . | * | | | trans | -97.9 | 13.5 | 178.3 | -76 | 168.3 | 0 | 0 | 0 | 113.4 | F116 N119 Y123 | F116-L121 HydrophobicContact CB-CB 4.44Å; F116-L121 HydrophobicContact CD1-CB 4.07Å; F116-L121 HydrophobicContact CD1-CD1 3.81Å; F116-L121 HydrophobicContact CE1-CD1 4.2Å; F116-L121 PolarHBondContact O-N 2.98Å; N119-L121 PolarHBondContact O-N 3.38Å; L121-Y123 HydrophobicContact CD2-CE2 4.03Å; L121-Y123 WeakPolarHBondContact O-CD2 3.42Å; L121-Y123 PolarHBondContact O-N 2.89Å |
| 122 | D | 47.3 | Very low | 51.1 | Low | 86 Ų | 86 | 117.2 Ų | 117.2 | 46% | 0.46 | 59% | 0.592 | S | S | . | * | | | trans | -75.6 | 90.9 | 171.4 | -162 | -7.8 | 0 | 0 | 0 | 109.3 | R117 N124 | R117-D122 HydrophobicContact CG-CB 4.31Å; D122-N124 PolarHBondContact O-N 3.25Å; D122-N124 WeakPolarHBondContact OD1-CB 3.39Å; D122-N124 PolarHBondContact OD1-N 3.49Å; D122-N124 PolarHBondContact OD1-ND2 2.92Å |
| 123 | Y | 43.7 | Very low | 49.5 | Very low | 204 Ų | 204 | 123.4 Ų | 123.4 | 80% | 0.8 | 63% | 0.625 | S | S | * | * | | | trans | -70.3 | 22.7 | 176.9 | -86.7 | -86 | 0 | 0 | 0 | 113.6 | L121 D125 | L121-Y123 HydrophobicContact CD2-CE2 4.03Å; L121-Y123 WeakPolarHBondContact O-CD2 3.42Å; L121-Y123 PolarHBondContact O-N 2.89Å; Y123-D125 VanDerWaalsContact C-N 3.33Å |
| 124 | N | 41.2 | Very low | 47.5 | Very low | 123 Ų | 123 | 122.2 Ų | 122.2 | 66% | 0.658 | 63% | 0.631 | S | S | * | * | | | trans | -95.6 | 25.6 | 173.5 | -77 | -36.5 | 0 | 0 | 0 | 113.7 | D122 N126 | D122-N124 PolarHBondContact O-N 3.25Å; D122-N124 WeakPolarHBondContact OD1-CB 3.39Å; D122-N124 PolarHBondContact OD1-N 3.49Å; D122-N124 PolarHBondContact OD1-ND2 2.92Å; N124-N126 PolarHBondContact O-N 2.94Å |
| 125 | D | 44.5 | Very low | 45.5 | Very low | 122 Ų | 122 | 127.4 Ų | 127.4 | 65% | 0.652 | 65% | 0.654 | S | S | * | * | | | trans | -68.5 | 74.6 | 158.6 | -95.9 | -25.4 | 0 | 0 | 0 | 109.8 | Y123 N127 | Y123-D125 VanDerWaalsContact C-N 3.33Å; D125-N127 PolarHBondContact O-N 3.35Å; D125-N127 VanDerWaalsContact O-N 3.11Å; D125-N127 PolarHBondContact OD1-ND2 3.03Å |
| 126 | N | 36.1 | Very low | 43.9 | Very low | 150 Ų | 150 | 132.8 Ų | 132.8 | 80% | 0.802 | 68% | 0.682 | S | S | * | * | | | trans | -65.1 | 14.3 | 148.6 | -76.4 | -35.5 | 0 | 0 | 0 | 111.7 | N124 L128 | N124-N126 PolarHBondContact O-N 2.94Å; N126-L128 PolarHBondContact O-N 3.45Å; N126-L128 VanDerWaalsContact O-N 3.07Å |
| 127 | N | 36.1 | Very low | 42.3 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 64% | 0.636 | 70% | 0.695 | S | S | * | * | | | trans | -81.3 | 42.2 | 167.3 | -79.9 | -35.8 | 0 | 0 | 0 | 112.2 | D125 K129 | D125-N127 PolarHBondContact O-N 3.35Å; D125-N127 VanDerWaalsContact O-N 3.11Å; D125-N127 PolarHBondContact OD1-ND2 3.03Å; N127-K129 PolarHBondContact O-N 3.23Å |
| 128 | L | 33.4 | Very low | 40.7 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | | | trans | -73.7 | 60.5 | 158.9 | -141.5 | 114.2 | 0 | 0 | 0 | 108.3 | N126 N130 | N126-L128 PolarHBondContact O-N 3.45Å; N126-L128 VanDerWaalsContact O-N 3.07Å; L128-N130 VanDerWaalsContact C-N 3.28Å; L128-N130 WeakPolarHBondContact CD2-ND2 3.49Å; L128-N130 PolarHBondContact O-N 3.48Å |
| 129 | K | 33.9 | Very low | 39 | Very low | 175 Ų | 175 | 132.4 Ų | 132.4 | 76% | 0.761 | 71% | 0.712 | S | S | * | * | | | trans | -75.4 | 92.8 | 164 | -78 | -164.7 | 177.5 | -175.1 | 0 | 106.9 | N127 D131 | N127-K129 PolarHBondContact O-N 3.23Å; K129-D131 PolarHBondContact O-N 2.93Å |
| 130 | N | 31.8 | Very low | 37.7 | Very low | 130 Ų | 130 | 132.9 Ų | 132.9 | 70% | 0.695 | 72% | 0.715 | S | S | * | * | | | trans | -69 | 54.9 | 169.8 | -76.4 | -28.6 | 0 | 0 | 0 | 111.1 | L128 | L128-N130 VanDerWaalsContact C-N 3.28Å; L128-N130 WeakPolarHBondContact CD2-ND2 3.49Å; L128-N130 PolarHBondContact O-N 3.48Å |
| 131 | D | 34.9 | Very low | 36.6 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | | | trans | -152.3 | 86.6 | 177.5 | -73.9 | -51.1 | 0 | 0 | 0 | 109.3 | K129 | K129-D131 PolarHBondContact O-N 2.93Š|
| 132 | D | 35.9 | Very low | 36 | Very low | 160 Ų | 160 | 141.4 Ų | 141.4 | 86% | 0.856 | 73% | 0.734 | S | S | * | * | | | trans | 180 | 31.6 | 147.7 | -90.8 | -16.5 | 0 | 0 | 0 | 112.4 | G134 | D132-G134 PolarHBondContact O-N 3.3Š|
| 133 | L | 34 | Very low | 35.4 | Very low | 191 Ų | 191 | 145.1 Ų | 145.1 | 100% | 1 | 75% | 0.746 | S | S | * | * | | | trans | -71 | 15.1 | 166 | -98.1 | 150.7 | 0 | 0 | 0 | 112.9 | | |
| 134 | G | 30 | Very low | 34.9 | Very low | 53 Ų | 53 | 146.4 Ų | 146.4 | 55% | 0.546 | 75% | 0.75 | S | S | . | * | S | Bend | trans | -105.1 | 108.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D132 | D132-G134 PolarHBondContact O-N 3.3Š|
| 135 | K | 35.1 | Very low | 34.4 | Very low | 195 Ų | 195 | 147.9 Ų | 147.9 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | | | trans | 73 | 77.9 | 155.4 | -51.8 | 174.1 | -178.3 | 178 | 0 | 116.5 | | |
| 136 | I | 31.6 | Very low | 33.7 | Very low | 169 Ų | 169 | 148.5 Ų | 148.5 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | | | trans | -114.5 | 95.5 | 146.4 | -58.9 | -179.6 | 0 | 0 | 0 | 107.2 | A138 | I136-A138 PolarHBondContact O-N 3.46Š|
| 137 | D | 35 | Very low | 33.3 | Very low | 137 Ų | 137 | 149.2 Ų | 149.2 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | | | trans | -53.4 | 107 | 169.3 | -76.9 | -43.2 | 0 | 0 | 0 | 109.6 | L139 | D137-L139 PolarHBondContact O-N 3.14Š|
| 138 | A | 33.6 | Very low | 32.9 | Very low | 89 Ų | 89 | 153.2 Ų | 153.2 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -61.2 | 5.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I136 N140 | I136-A138 PolarHBondContact O-N 3.46Å; A138-N140 PolarHBondContact O-N 2.99Å |
| 139 | L | 35.2 | Very low | 32.7 | Very low | 145 Ų | 145 | 153.6 Ų | 153.6 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -79 | -14.7 | -174.3 | -136.1 | 86.5 | 0 | 0 | 0 | 114.5 | D137 | D137-L139 PolarHBondContact O-N 3.14Š|
| 140 | N | 35.6 | Very low | 32.4 | Very low | 122 Ų | 122 | 150.9 Ų | 150.9 | 65% | 0.652 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -93.1 | -9.4 | -176.5 | -93.5 | -23.6 | 0 | 0 | 0 | 115.4 | A138 V142 | A138-N140 PolarHBondContact O-N 2.99Å; N140-V142 VanDerWaalsContact C-N 3.34Å |
| 141 | Y | 30.6 | Very low | 32.1 | Very low | 218 Ų | 218 | 150.8 Ų | 150.8 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -78.5 | -19.5 | 177.6 | -131.5 | -96.1 | 0 | 0 | 0 | 113.3 | | |
| 142 | V | 36.5 | Very low | 31.8 | Very low | 111 Ų | 111 | 152.1 Ų | 152.1 | 67% | 0.673 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -81.2 | -17.1 | 178.6 | -177.8 | 0 | 0 | 0 | 0 | 112.5 | N140 | N140-V142 VanDerWaalsContact C-N 3.34Š|
| 143 | K | 35.7 | Very low | 31.3 | Very low | 163 Ų | 163 | 148.5 Ų | 148.5 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -82.9 | -10.1 | -173.7 | -92 | -175.3 | 177 | 178.3 | 0 | 116.3 | | |
| 144 | R | 31.9 | Very low | 30.9 | Very low | 231 Ų | 231 | 147.8 Ų | 147.8 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -96.2 | -2.5 | -176.7 | -76.7 | -169.2 | -168.4 | -174.4 | 4.8 | 116.4 | | |
| 145 | L | 30.7 | Very low | 30.9 | Very low | 154 Ų | 154 | 151.1 Ų | 151.1 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -99 | 0.2 | -178.4 | -100.7 | 140.2 | 0 | 0 | 0 | 115.1 | H147 | L145-H147 PolarHBondContact O-N 2.83Š|
| 146 | N | 29.4 | Very low | 30.5 | Very low | 136 Ų | 136 | 149.2 Ų | 149.2 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | trans | -99.8 | 69 | 178.5 | -72.1 | -24.6 | 0 | 0 | 0 | 112.1 | | |
| 147 | H | 28.9 | Very low | 30.4 | Very low | 165 Ų | 165 | 150.4 Ų | 150.4 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | | | trans | -134.3 | 116.9 | 161.5 | -73.5 | -56.2 | 0 | 0 | 0 | 111.2 | L145 | L145-H147 PolarHBondContact O-N 2.83Š|
| 148 | K | 28 | Very low | 30.1 | Very low | 203 Ų | 203 | 151.1 Ų | 151.1 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | | | trans | 83.2 | 80.5 | 162.8 | -56.9 | 178.9 | 178 | -179.2 | 0 | 116.8 | | |
| 149 | T | 28.5 | Very low | 30 | Very low | 140 Ų | 140 | 153.7 Ų | 153.7 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | | | trans | -121.9 | 129.7 | 138.3 | -38.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 150 | P | 28.1 | Very low | 29.6 | Very low | 117 Ų | 117 | 149.5 Ų | 149.5 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | | | trans | -69.9 | 141.6 | -176.7 | -13.2 | 28 | 0 | 0 | 0 | 112.7 | | |
| 151 | T | 24.5 | Very low | 29.5 | Very low | 128 Ų | 128 | 148.2 Ų | 148.2 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | trans | -41.9 | 121.1 | 172.4 | -47.8 | 0 | 0 | 0 | 0 | 115 | | |
| 152 | I | 28.4 | Very low | 29.6 | Very low | 167 Ų | 167 | 144.8 Ų | 144.8 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | | | trans | -119.3 | 121.3 | 147.6 | -62.7 | 176.9 | 0 | 0 | 0 | 106.4 | | |
| 153 | P | 26.4 | Very low | 29.2 | Very low | 84 Ų | 84 | 145.4 Ų | 145.4 | 55% | 0.545 | 78% | 0.781 | S | S | . | * | | | trans | -97.2 | 155.8 | -175.8 | 39.1 | -33.6 | 0 | 0 | 0 | 112.4 | | |
| 154 | H | 26 | Very low | 29.1 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | | | trans | 78 | 95.2 | 162 | -55.1 | -65.9 | 0 | 0 | 0 | 119.1 | | |
| 155 | S | 29.9 | Very low | 28.9 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | | -176.3 | 103.1 | 103.2 | 38.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 156 | L | 26.1 | Very low | 28.8 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | | | trans | -67.5 | 124.1 | 165.8 | -88.9 | 104.5 | 0 | 0 | 0 | 109.2 | | |
| 157 | Q | 29.6 | Very low | 28.8 | Very low | 193 Ų | 193 | 135.3 Ų | 135.3 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | | | trans | -144 | 92.8 | 135.6 | -75 | -166.2 | -11.3 | 0 | 0 | 107.4 | | |
| 158 | I | 29.5 | Very low | 28.6 | Very low | 152 Ų | 152 | 137.7 Ų | 137.7 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | | | trans | -91.9 | 98.9 | 166.7 | -61.2 | 171.9 | 0 | 0 | 0 | 104.7 | G160 | I158-G160 PolarHBondContact O-N 3.48Š|
| 159 | D | 29.6 | Very low | 28.6 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | | | trans | -78.2 | 106.2 | 170 | -163.6 | -4.3 | 0 | 0 | 0 | 108.1 | S161 | D159-S161 PolarHBondContact O-N 3.22Š|
| 160 | G | 28.6 | Very low | 28.6 | Very low | 58 Ų | 58 | 134.9 Ų | 134.9 | 60% | 0.598 | 78% | 0.776 | S | S | * | * | | | trans | -76.5 | 51.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | I158 N162 | I158-G160 PolarHBondContact O-N 3.48Å; G160-N162 VanDerWaalsContact C-N 3.3Å; G160-N162 PolarHBondContact O-N 3.34Å; G160-N162 PolarHBondContact O-OD1 3.12Å |
| 161 | S | 33.8 | Very low | 28.6 | Very low | 95 Ų | 95 | 135.1 Ų | 135.1 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | | | trans | -77.7 | 81.1 | 176.7 | -70 | 0 | 0 | 0 | 0 | 111.2 | D159 S163 | D159-S161 PolarHBondContact O-N 3.22Å; S161-S163 PolarHBondContact O-N 2.88Å |
| 162 | N | 30.6 | Very low | 29 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | | | trans | 25.9 | 79 | 144.8 | -61.4 | -21.2 | 0 | 0 | 0 | 116.9 | G160 S164 | G160-N162 VanDerWaalsContact C-N 3.3Å; G160-N162 PolarHBondContact O-N 3.34Å; G160-N162 PolarHBondContact O-OD1 3.12Å; N162-S164 VanDerWaalsContact C-N 3.34Å; N162-S164 PolarHBondContact O-N 3.09Å |
| 163 | S | 30.1 | Very low | 29.2 | Very low | 123 Ų | 123 | 135 Ų | 135 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | | | trans | -70 | 91.8 | 159.4 | 20.3 | 0 | 0 | 0 | 0 | 109.5 | S161 I165 | S161-S163 PolarHBondContact O-N 2.88Å; S163-I165 PolarHBondContact O-N 2.86Å |
| 164 | S | 32.8 | Very low | 29.3 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | trans | -76.7 | 110.9 | 168.2 | -55.7 | 0 | 0 | 0 | 0 | 108.6 | N162 S166 | N162-S164 VanDerWaalsContact C-N 3.34Å; N162-S164 PolarHBondContact O-N 3.09Å; S164-S166 PolarHBondContact O-N 3.04Å; S164-S166 VanDerWaalsContact O-N 3.1Å |
| 165 | I | 26.5 | Very low | 29.7 | Very low | 162 Ų | 162 | 136.1 Ų | 136.1 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | | | trans | -57.3 | 109 | 165.9 | -87.5 | 165.7 | 0 | 0 | 0 | 107.9 | S163 | S163-I165 PolarHBondContact O-N 2.86Š|
| 166 | S | 30.3 | Very low | 29.7 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | | | trans | -99 | 94.8 | 169.3 | 174.3 | 0 | 0 | 0 | 0 | 108.3 | S164 | S164-S166 PolarHBondContact O-N 3.04Å; S164-S166 VanDerWaalsContact O-N 3.1Å |
| 167 | S | 28.8 | Very low | 29.9 | Very low | 82 Ų | 82 | 137.2 Ų | 137.2 | 57% | 0.573 | 77% | 0.773 | S | S | * | * | | | trans | -90.2 | 136.3 | 172.5 | 62.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 168 | Y | 24.5 | Very low | 29.7 | Very low | 215 Ų | 215 | 137.6 Ų | 137.6 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | trans | 73.4 | 111.7 | 163.9 | -72.5 | -88.6 | 0 | 0 | 0 | 119.7 | | |
| 169 | Q | 28.2 | Very low | 29.7 | Very low | 193 Ų | 193 | 136.2 Ų | 136.2 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | | | trans | -157.3 | 103.9 | 130.2 | -107.7 | 161.5 | 0 | 0 | 0 | 109.2 | | |
| 170 | A | 28.2 | Very low | 29.5 | Very low | 91 Ų | 91 | 137 Ų | 137 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | | | trans | -88.4 | 103.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | I172 | A170-I172 PolarHBondContact O-N 3.31Š|
| 171 | T | 29.2 | Very low | 29.5 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -86.2 | 108.4 | 174.9 | -18 | 0 | 0 | 0 | 0 | 108.6 | D173 | T171-D173 PolarHBondContact O-N 3.05Š|
| 172 | I | 31.5 | Very low | 29.2 | Very low | 153 Ų | 153 | 145.3 Ų | 145.3 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -81.7 | 97.7 | 171.6 | -59.4 | 172.4 | 0 | 0 | 0 | 107.3 | A170 S174 | A170-I172 PolarHBondContact O-N 3.31Å; I172-S174 VanDerWaalsContact C-N 3.35Å; I172-S174 PolarHBondContact O-N 3.33Å |
| 173 | D | 32.3 | Very low | 29 | Very low | 138 Ų | 138 | 146.1 Ų | 146.1 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | | | trans | -77.2 | 86.9 | 171.1 | -93.1 | -15 | 0 | 0 | 0 | 110.4 | T171 K175 | T171-D173 PolarHBondContact O-N 3.05Å; D173-K175 PolarHBondContact O-N 2.9Å; D173-K175 VanDerWaalsContact O-N 3.1Å |
| 174 | S | 28.4 | Very low | 28.9 | Very low | 95 Ų | 95 | 146.5 Ų | 146.5 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | | | trans | -74.2 | 85.4 | 166.5 | 157.5 | 0 | 0 | 0 | 0 | 109.9 | I172 K176 | I172-S174 VanDerWaalsContact C-N 3.35Å; I172-S174 PolarHBondContact O-N 3.33Å; S174-K176 PolarHBondContact O-N 3.21Å |
| 175 | K | 34.9 | Very low | 28.6 | Very low | 189 Ų | 189 | 149 Ų | 149 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | -80.7 | 99.4 | 164.8 | -77 | -175.1 | -179.9 | 175.3 | 0 | 110.3 | D173 S177 | D173-K175 PolarHBondContact O-N 2.9Å; D173-K175 VanDerWaalsContact O-N 3.1Å; K175-S177 PolarHBondContact O-N 3.38Å |
| 176 | K | 29.2 | Very low | 28.8 | Very low | 191 Ų | 191 | 147.3 Ų | 147.3 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | | | trans | -52.7 | 119.4 | 162.4 | -74.1 | 170.4 | 174.1 | 169.5 | 0 | 110.2 | S174 | S174-K176 PolarHBondContact O-N 3.21Š|
| 177 | S | 30.4 | Very low | 28.6 | Very low | 112 Ų | 112 | 148.1 Ų | 148.1 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | | | trans | -114.6 | 98.6 | 153 | 47.4 | 0 | 0 | 0 | 0 | 108.5 | K175 | K175-S177 PolarHBondContact O-N 3.38Š|
| 178 | K | 27 | Very low | 28.8 | Very low | 200 Ų | 200 | 149.8 Ų | 149.8 | 87% | 0.87 | 77% | 0.771 | S | S | * | * | | | trans | -75.5 | 116.1 | 161.1 | -85.7 | 179.2 | 171.2 | -177.7 | 0 | 106.8 | | |
| 179 | T | 28.3 | Very low | 28.9 | Very low | 123 Ų | 123 | 147.5 Ų | 147.5 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | trans | -131 | 104.7 | 156.1 | -35.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 180 | Q | 27 | Very low | 29 | Very low | 161 Ų | 161 | 147.3 Ų | 147.3 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | | | trans | -59.2 | 129.6 | 167.5 | -69 | 166.2 | -63.9 | 0 | 0 | 108.4 | | |
| 181 | N | 27.4 | Very low | 28.9 | Very low | 155 Ų | 155 | 147.8 Ų | 147.8 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | | | trans | -131.9 | 89.8 | 149.1 | -89.9 | -28.5 | 0 | 0 | 0 | 105.9 | H183 | N181-H183 PolarHBondContact O-N 3Š|
| 182 | E | 26.7 | Very low | 28.8 | Very low | 171 Ų | 171 | 151.5 Ų | 151.5 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | | | trans | -64.8 | 115.6 | 156.7 | -71.5 | 178.6 | 161.2 | 0 | 0 | 107 | | |
| 183 | H | 28.4 | Very low | 28.5 | Very low | 163 Ų | 163 | 153.4 Ų | 153.4 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | -141.2 | 100.8 | 159.3 | -117 | -80.2 | 0 | 0 | 0 | 109.6 | N181 | N181-H183 PolarHBondContact O-N 3Š|
| 184 | L | 27.7 | Very low | 28.4 | Very low | 131 Ų | 131 | 156 Ų | 156 | 69% | 0.686 | 79% | 0.787 | S | S | * | * | | | trans | 44 | 103.8 | 150.8 | -77.8 | 107.3 | 0 | 0 | 0 | 118.7 | N186 | L184-N186 PolarHBondContact O-N 3.39Š|
| 185 | L | 26.8 | Very low | 28.2 | Very low | 160 Ų | 160 | 158.3 Ų | 158.3 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | | | trans | -57 | 118.3 | 140 | -84.7 | 90.1 | 0 | 0 | 0 | 108.4 | | |
| 186 | N | 28.9 | Very low | 27.9 | Very low | 126 Ų | 126 | 151.9 Ų | 151.9 | 67% | 0.674 | 79% | 0.789 | S | S | * | * | | | trans | -123.8 | 98.5 | 162.5 | -144.3 | 6.1 | 0 | 0 | 0 | 108.3 | L184 N188 | L184-N186 PolarHBondContact O-N 3.39Å; N186-N188 PolarHBondContact O-N 2.9Å |
| 187 | N | 27.7 | Very low | 28.1 | Very low | 140 Ų | 140 | 153.4 Ų | 153.4 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | | | trans | -71.9 | 98.3 | 172.1 | -78.2 | -21.3 | 0 | 0 | 0 | 108.6 | | |
| 188 | N | 31.3 | Very low | 28.4 | Very low | 117 Ų | 117 | 156.4 Ų | 156.4 | 63% | 0.626 | 79% | 0.79 | S | S | * | * | | | trans | -118.5 | 97.8 | 164.5 | -83.2 | -26.6 | 0 | 0 | 0 | 109.3 | N186 F190 | N186-N188 PolarHBondContact O-N 2.9Å; N188-F190 PolarHBondContact O-N 3.21Å |
| 189 | N | 27.3 | Very low | 28.8 | Very low | 167 Ų | 167 | 154.4 Ų | 154.4 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | | | trans | -62.3 | 95.9 | 160.9 | -71.7 | -33.2 | 0 | 0 | 0 | 108.5 | | |
| 190 | F | 31.3 | Very low | 29.2 | Very low | 189 Ų | 189 | 157.8 Ų | 157.8 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | | | trans | -112.4 | 101.6 | 162.8 | -104.1 | -85.9 | 0 | 0 | 0 | 109.2 | N188 | N188-F190 PolarHBondContact O-N 3.21Š|
| 191 | S | 24.6 | Very low | 29.7 | Very low | 101 Ų | 101 | 157 Ų | 157 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | trans | -60.2 | 123 | 156.7 | 52.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 192 | K | 27.8 | Very low | 30 | Very low | 200 Ų | 200 | 158.3 Ų | 158.3 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | | | trans | 172.7 | 132.4 | 132.3 | -100.7 | 172 | 177.9 | 176.7 | 0 | 110.6 | Q194 | K192-Q194 PolarHBondContact O-N 2.94Š|
| 193 | E | 25.4 | Very low | 30.5 | Very low | 192 Ų | 192 | 158.5 Ų | 158.5 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | | | trans | -46.2 | 121.6 | 168.3 | -62.3 | 162.7 | 144.2 | 0 | 0 | 111.6 | | |
| 194 | Q | 30 | Very low | 31.2 | Very low | 194 Ų | 194 | 156 Ų | 156 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | | | trans | -130.9 | 100.1 | 150.7 | -81.5 | -165.7 | -11.1 | 0 | 0 | 108.6 | K192 G196 | K192-Q194 PolarHBondContact O-N 2.94Å; Q194-G196 PolarHBondContact O-N 2.95Å |
| 195 | C | 24 | Very low | 31.7 | Very low | 143 Ų | 143 | 160.1 Ų | 160.1 | 97% | 0.966 | 78% | 0.784 | S | S | * | * | | | trans | -63.5 | 118.7 | 159.7 | -162.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 196 | G | 28.1 | Very low | 32.2 | Very low | 54 Ų | 54 | 161.1 Ų | 161.1 | 56% | 0.557 | 79% | 0.787 | S | S | * | * | | | trans | 172.9 | 104.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q194 | Q194-G196 PolarHBondContact O-N 2.95Š|
| 197 | Y | 33.5 | Very low | 32.5 | Very low | 223 Ų | 223 | 164.5 Ų | 164.5 | 88% | 0.875 | 79% | 0.791 | S | S | * | * | | | trans | 72.1 | 91.8 | 157.8 | -55.8 | -80.2 | 0 | 0 | 0 | 117.9 | Q199 | Y197-Q199 VanDerWaalsContact C-N 3.32Å; Y197-Q199 PolarHBondContact O-N 3.49Å |
| 198 | K | 36.9 | Very low | 33 | Very low | 175 Ų | 175 | 162.8 Ų | 162.8 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | | | trans | -60 | 93.5 | 153.6 | -68.7 | -179.8 | 179.6 | 177.2 | 0 | 108.6 | Y200 | K198-Y200 HydrophobicContact CB-CD2 4.41Å; K198-Y200 HydrophobicContact CB-CE2 3.97Å; K198-Y200 WeakPolarHBondContact O-CD2 3.45Å; K198-Y200 PolarHBondContact O-N 2.92Å |
| 199 | Q | 36.6 | Very low | 33.6 | Very low | 158 Ų | 158 | 163 Ų | 163 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | | | trans | -69.2 | 99.4 | 165 | -82.8 | -176.3 | -20.3 | 0 | 0 | 107.9 | Y197 H201 | Y197-Q199 VanDerWaalsContact C-N 3.32Å; Y197-Q199 PolarHBondContact O-N 3.49Å; Q199-H201 PolarHBondContact O-N 2.95Å |
| 200 | Y | 35.7 | Very low | 34.3 | Very low | 193 Ų | 193 | 161.1 Ų | 161.1 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | | | trans | -65.9 | 103.2 | 167.7 | -69.3 | -88.5 | 0 | 0 | 0 | 107.8 | K198 H202 | K198-Y200 HydrophobicContact CB-CD2 4.41Å; K198-Y200 HydrophobicContact CB-CE2 3.97Å; K198-Y200 WeakPolarHBondContact O-CD2 3.45Å; K198-Y200 PolarHBondContact O-N 2.92Å; Y200-H202 PolarHBondContact O-N 3.21Å |
| 201 | H | 37.5 | Very low | 34.7 | Very low | 144 Ų | 144 | 163.3 Ų | 163.3 | 67% | 0.667 | 79% | 0.793 | S | S | * | * | | | trans | -60.8 | 105.1 | 169.3 | -71.7 | -70.1 | 0 | 0 | 0 | 108.4 | Q199 F203 | Q199-H201 PolarHBondContact O-N 2.95Å; H201-F203 VanDerWaalsContact C-N 3.29Å; H201-F203 HydrophobicContact CB-CE2 4.17Å; H201-F203 WeakPolarHBondContact O-CD2 3.38Å; H201-F203 PolarHBondContact O-N 2.9Å |
| 202 | H | 34.9 | Very low | 35.4 | Very low | 183 Ų | 183 | 164.6 Ų | 164.6 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | | | trans | -69.9 | 89.7 | 172 | -140 | 82.3 | 0 | 0 | 0 | 106.9 | Y200 P204 | Y200-H202 PolarHBondContact O-N 3.21Å; H202-P204 VanDerWaalsContact O-CD 3.23Å; H202-P204 WeakPolarHBondContact O-CD 3.48Å |
| 203 | F | 36.9 | Very low | 35.8 | Very low | 175 Ų | 175 | 160.5 Ų | 160.5 | 77% | 0.768 | 79% | 0.788 | S | S | * | * | | | trans | -64.5 | 118.5 | 171.2 | -73.6 | -83 | 0 | 0 | 0 | 108.1 | H201 R205 | H201-F203 VanDerWaalsContact C-N 3.29Å; H201-F203 HydrophobicContact CB-CE2 4.17Å; H201-F203 WeakPolarHBondContact O-CD2 3.38Å; H201-F203 PolarHBondContact O-N 2.9Å; F203-R205 PolarHBondContact O-N 3.3Å |
| 204 | P | 42.6 | Very low | 36.5 | Very low | 110 Ų | 110 | 155 Ų | 155 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | | | trans | -59.7 | 123.8 | 169.4 | -16.9 | 30.6 | 0 | 0 | 0 | 107.6 | H202 M206 | H202-P204 VanDerWaalsContact O-CD 3.23Å; H202-P204 WeakPolarHBondContact O-CD 3.48Å; P204-M206 PolarHBondContact O-N 3.07Å |
| 205 | R | 37.9 | Very low | 36.9 | Very low | 218 Ų | 218 | 153 Ų | 153 | 82% | 0.823 | 77% | 0.765 | S | S | * | * | | | trans | -58.7 | 105.1 | 173.2 | -77.9 | -179.6 | 179.9 | 175 | 0 | 107.8 | F203 Y207 | F203-R205 PolarHBondContact O-N 3.3Å; R205-Y207 WeakPolarHBondContact O-CD2 3.41Å; R205-Y207 PolarHBondContact O-N 3.22Å |
| 206 | M | 36.8 | Very low | 37.5 | Very low | 182 Ų | 182 | 155.1 Ų | 155.1 | 90% | 0.897 | 76% | 0.761 | S | S | * | * | | | trans | -60.9 | 99.3 | 169.7 | -72.9 | -86.5 | -64.8 | 0 | 0 | 107.5 | P204 | P204-M206 PolarHBondContact O-N 3.07Š|
| 207 | Y | 35.7 | Very low | 38 | Very low | 196 Ų | 196 | 157.6 Ų | 157.6 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 135.8 | 168.5 | -75.7 | -87.7 | 0 | 0 | 0 | 108.3 | R205 | R205-Y207 WeakPolarHBondContact O-CD2 3.41Å; R205-Y207 PolarHBondContact O-N 3.22Å |
| 208 | P | 39.1 | Very low | 37.9 | Very low | 104 Ų | 104 | 157.8 Ų | 157.8 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 143.1 | 175.9 | 22.7 | -30.8 | 0 | 0 | 0 | 110.1 | V210 | P208-V210 PolarHBondContact O-N 2.86Å; P208-V210 VanDerWaalsContact O-N 3.15Å |
| 209 | P | 42.6 | Very low | 37.8 | Very low | 123 Ų | 123 | 159.1 Ų | 159.1 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 121.3 | 179.5 | -23.2 | 31.5 | 0 | 0 | 0 | 110.8 | R211 | P209-R211 PolarHBondContact O-N 3.49Å; P209-R211 VanDerWaalsContact O-N 3.09Å |
| 210 | V | 43.2 | Very low | 37.7 | Very low | 127 Ų | 127 | 160.3 Ų | 160.3 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | | | trans | -63.8 | 110.2 | 172.6 | -179.9 | 0 | 0 | 0 | 0 | 106.7 | P208 D212 | P208-V210 PolarHBondContact O-N 2.86Å; P208-V210 VanDerWaalsContact O-N 3.15Å; V210-D212 PolarHBondContact O-N 3.2Å; V210-D212 VanDerWaalsContact O-N 3.11Å |
| 211 | R | 39.7 | Very low | 37.3 | Very low | 234 Ų | 234 | 154.5 Ų | 154.5 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | | | trans | -70.3 | 105.5 | 173 | -73.7 | -173.9 | 171.8 | -175 | -2.4 | 107.4 | P209 S213 | P209-R211 PolarHBondContact O-N 3.49Å; P209-R211 VanDerWaalsContact O-N 3.09Å; R211-S213 PolarHBondContact O-N 3.32Å |
| 212 | D | 37.9 | Very low | 37.1 | Very low | 129 Ų | 129 | 156.6 Ų | 156.6 | 69% | 0.69 | 79% | 0.793 | S | S | * | * | | | trans | -56.9 | 110.5 | 168.8 | -71.1 | -31.7 | 0 | 0 | 0 | 108.6 | V210 S214 | V210-D212 PolarHBondContact O-N 3.2Å; V210-D212 VanDerWaalsContact O-N 3.11Å; D212-S214 PolarHBondContact O-N 3.27Å |
| 213 | S | 37.2 | Very low | 36.8 | Very low | 114 Ų | 114 | 159.3 Ų | 159.3 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 26.8 | -179.2 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | R211 | R211-S213 PolarHBondContact O-N 3.32Š|
| 214 | S | 40 | Very low | 36.6 | Very low | 75 Ų | 75 | 158.4 Ų | 158.4 | 52% | 0.524 | 80% | 0.799 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99 | -5.6 | -170.1 | 62.1 | 0 | 0 | 0 | 0 | 114.8 | D212 | D212-S214 PolarHBondContact O-N 3.27Š|
| 215 | I | 39.1 | Very low | 36 | Very low | 154 Ų | 154 | 164 Ų | 164 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -90.3 | -18.1 | -175.3 | -63.3 | 171.5 | 0 | 0 | 0 | 112.9 | | |
| 216 | E | 36.8 | Very low | 35.6 | Very low | 187 Ų | 187 | 158.6 Ų | 158.6 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | G | 310 helix | trans | -93.1 | -10.2 | -173.8 | -142 | 156.1 | -153.4 | 0 | 0 | 114.8 | R218 | E216-R218 VanDerWaalsContact C-N 3.33Å; E216-R218 PolarHBondContact O-N 3.05Å |
| 217 | S | 36.9 | Very low | 35.4 | Very low | 106 Ų | 106 | 156.8 Ų | 156.8 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | G | 310 helix | trans | -83.6 | 5.4 | -177.9 | -50.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 218 | R | 32.2 | Very low | 35 | Very low | 226 Ų | 226 | 154.6 Ų | 154.6 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | G | 310 helix | trans | -112 | 18.1 | -170.1 | -111.2 | -171.9 | -84.1 | -171 | -4 | 117.3 | E216 | E216-R218 VanDerWaalsContact C-N 3.33Å; E216-R218 PolarHBondContact O-N 3.05Å |
| 219 | K | 35.4 | Very low | 34.4 | Very low | 204 Ų | 204 | 155.3 Ų | 155.3 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | | | trans | -118.5 | 12.9 | 177.2 | -100.6 | -177.4 | 178.6 | -178.9 | 0 | 117 | | |
| 220 | L | 33.7 | Very low | 33.6 | Very low | 183 Ų | 183 | 156.5 Ų | 156.5 | 96% | 0.958 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -93.2 | 105.4 | 164.8 | -109.3 | 88.3 | 0 | 0 | 0 | 109.4 | | |
| 221 | G | 28.4 | Very low | 32.9 | Very low | 70 Ų | 70 | 158.7 Ų | 158.7 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | | | trans | 139 | 33.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | R223 | G221-R223 PolarHBondContact O-N 3.05Š|
| 222 | Q | 33.3 | Very low | 32.2 | Very low | 189 Ų | 189 | 153 Ų | 153 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | | | trans | -92.5 | 84.9 | 150.3 | -82 | -170.1 | -4 | 0 | 0 | 108.2 | N224 | Q222-N224 PolarHBondContact O-N 2.94Å; Q222-N224 VanDerWaalsContact O-N 3.12Å |
| 223 | R | 28.5 | Very low | 31.5 | Very low | 239 Ų | 239 | 153.5 Ų | 153.5 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | | | trans | -59.6 | 110.2 | 165 | -130.5 | 174.6 | -176.3 | 153.1 | -0.5 | 106.2 | G221 R225 | G221-R223 PolarHBondContact O-N 3.05Å; R223-R225 PolarHBondContact O-N 2.92Å |
| 224 | N | 31.5 | Very low | 31.1 | Very low | 156 Ų | 156 | 154.3 Ų | 154.3 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | | | trans | -54.5 | 100.9 | 169.4 | -72.8 | -32.4 | 0 | 0 | 0 | 108.2 | Q222 S226 | Q222-N224 PolarHBondContact O-N 2.94Å; Q222-N224 VanDerWaalsContact O-N 3.12Å; N224-S226 PolarHBondContact O-N 3.34Å; N224-S226 VanDerWaalsContact O-N 3.14Å |
| 225 | R | 29.4 | Very low | 30.5 | Very low | 228 Ų | 228 | 154.2 Ų | 154.2 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | trans | -73.5 | 102.2 | 168.3 | -142.9 | 174.9 | -169.4 | 173.4 | 1.6 | 104.9 | R223 N227 | R223-R225 PolarHBondContact O-N 2.92Å; R225-N227 PolarHBondContact O-N 3.3Å |
| 226 | S | 30.2 | Very low | 29.9 | Very low | 104 Ų | 104 | 153.8 Ų | 153.8 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | | | trans | -59 | 99.2 | 172.6 | 51.9 | 0 | 0 | 0 | 0 | 108.6 | N224 | N224-S226 PolarHBondContact O-N 3.34Å; N224-S226 VanDerWaalsContact O-N 3.14Å |
| 227 | N | 31.9 | Very low | 29.5 | Very low | 144 Ų | 144 | 150.6 Ų | 150.6 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | | | trans | -84.3 | 116.7 | 166.5 | -73.9 | -15.1 | 0 | 0 | 0 | 107.2 | R225 S229 | R225-N227 PolarHBondContact O-N 3.3Å; N227-S229 PolarHBondContact O-N 3.08Å |
| 228 | N | 27.6 | Very low | 29.1 | Very low | 150 Ų | 150 | 152.3 Ų | 152.3 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | | | trans | -46 | 121.7 | 173.3 | -71.7 | -25.8 | 0 | 0 | 0 | 110.4 | I230 | N228-I230 PolarHBondContact O-N 3.09Å; N228-I230 VanDerWaalsContact O-N 3.1Å |
| 229 | S | 26.3 | Very low | 28.9 | Very low | 120 Ų | 120 | 147 Ų | 147 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | | | trans | -64.7 | 100.9 | 172.1 | 154.3 | 0 | 0 | 0 | 0 | 109.6 | N227 | N227-S229 PolarHBondContact O-N 3.08Š|
| 230 | I | 27 | Very low | 28.6 | Very low | 147 Ų | 147 | 143.9 Ų | 143.9 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | | | trans | -121.9 | 109.2 | 153.8 | -59.2 | 172.2 | 0 | 0 | 0 | 104.1 | N228 | N228-I230 PolarHBondContact O-N 3.09Å; N228-I230 VanDerWaalsContact O-N 3.1Å |
| 231 | M | 27.5 | Very low | 28.4 | Very low | 174 Ų | 174 | 141.7 Ų | 141.7 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | | | trans | -177.2 | 95.5 | 151 | -89 | -121.4 | 152.7 | 0 | 0 | 110.3 | | |
| 232 | T | 25.4 | Very low | 28.5 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | | | | 23.1 | 115.1 | 125.2 | -33.5 | 0 | 0 | 0 | 0 | 118 | V234 | T232-V234 PolarHBondContact O-N 3.38Š|
| 233 | T | 24.2 | Very low | 28.7 | Very low | 139 Ų | 139 | 138.8 Ų | 138.8 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | -27.7 | 107.4 | 155 | -39.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 234 | V | 28.1 | Very low | 29.1 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | | | trans | -144.7 | 115.5 | 156.3 | -171 | 0 | 0 | 0 | 0 | 110.4 | T232 | T232-V234 PolarHBondContact O-N 3.38Š|
| 235 | A | 26.7 | Very low | 29.6 | Very low | 73 Ų | 73 | 136.1 Ų | 136.1 | 60% | 0.603 | 78% | 0.783 | S | S | * | * | | | trans | 24.2 | 106 | 151 | 0 | 0 | 0 | 0 | 0 | 119.8 | T237 | A235-T237 PolarHBondContact O-N 3.43Š|
| 236 | T | 26.6 | Very low | 30.1 | Very low | 146 Ų | 146 | 128.9 Ų | 128.9 | 90% | 0.896 | 77% | 0.767 | S | S | * | * | | | | 6.8 | 93 | 129.9 | -28.5 | 0 | 0 | 0 | 0 | 116.1 | | |
| 237 | T | 29.7 | Very low | 30.5 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | | | trans | -131.5 | 117.6 | 153.1 | 40.7 | 0 | 0 | 0 | 0 | 109.4 | A235 T239 | A235-T237 PolarHBondContact O-N 3.43Å; T237-T239 PolarHBondContact O-N 3.44Å; T237-T239 PolarHBondContact O-OG1 3.47Å |
| 238 | T | 28.3 | Very low | 30.9 | Very low | 142 Ų | 142 | 124.8 Ų | 124.8 | 87% | 0.871 | 75% | 0.749 | S | S | * | * | | | trans | -36.5 | 97.1 | 167.3 | 32.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 239 | T | 27.6 | Very low | 31.7 | Very low | 115 Ų | 115 | 121.4 Ų | 121.4 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | | | trans | -117.8 | 106.9 | 155.5 | 16.1 | 0 | 0 | 0 | 0 | 106.6 | T237 N241 | T237-T239 PolarHBondContact O-N 3.44Å; T237-T239 PolarHBondContact O-OG1 3.47Å; T239-N241 PolarHBondContact O-N 2.97Å |
| 240 | T | 28.6 | Very low | 32.4 | Very low | 139 Ų | 139 | 120.3 Ų | 120.3 | 85% | 0.853 | 73% | 0.725 | S | S | * | * | | | trans | -60.9 | 87.1 | 171.7 | 41.7 | 0 | 0 | 0 | 0 | 108.4 | P242 | T240-P242 WeakPolarHBondContact O-CD 3.47Š|
| 241 | N | 30.2 | Very low | 33 | Very low | 136 Ų | 136 | 119.6 Ų | 119.6 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | | | trans | -62.3 | 124.4 | 164.6 | -74 | -30.5 | 0 | 0 | 0 | 106.7 | T239 A243 | T239-N241 PolarHBondContact O-N 2.97Å; N241-A243 PolarHBondContact O-N 3.41Å |
| 242 | P | 30.9 | Very low | 33.6 | Very low | 109 Ų | 109 | 116.4 Ų | 116.4 | 71% | 0.708 | 71% | 0.706 | S | S | * | * | | | trans | -54.6 | 138.6 | 171.6 | 22.8 | -30.7 | 0 | 0 | 0 | 107.9 | T240 I244 | T240-P242 WeakPolarHBondContact O-CD 3.47Å; P242-I244 PolarHBondContact O-N 2.79Å |
| 243 | A | 35.9 | Very low | 34.6 | Very low | 90 Ų | 90 | 117.8 Ų | 117.8 | 74% | 0.744 | 70% | 0.702 | S | S | * | * | | | trans | -47.7 | 112.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | N241 E245 | N241-A243 PolarHBondContact O-N 3.41Å; A243-E245 PolarHBondContact O-N 3.11Å |
| 244 | I | 37.4 | Very low | 35.8 | Very low | 161 Ų | 161 | 115.2 Ų | 115.2 | 83% | 0.826 | 69% | 0.687 | S | S | * | * | | | trans | -65.6 | 90.7 | 165.4 | -60.1 | 171.9 | 0 | 0 | 0 | 102.7 | P242 S246 | P242-I244 PolarHBondContact O-N 2.79Å; I244-S246 PolarHBondContact O-N 2.96Å |
| 245 | E | 41.4 | Very low | 36.8 | Very low | 178 Ų | 178 | 113.3 Ų | 113.3 | 83% | 0.832 | 67% | 0.671 | S | S | * | * | | | trans | -50.7 | 112.6 | 170.2 | -77.1 | -173.3 | 167.1 | 0 | 0 | 105.4 | A243 G247 | A243-E245 PolarHBondContact O-N 3.11Å; E245-G247 VanDerWaalsContact C-N 3.28Å; E245-G247 PolarHBondContact O-N 3.04Å |
| 246 | S | 39.7 | Very low | 38 | Very low | 75 Ų | 75 | 114.9 Ų | 114.9 | 52% | 0.524 | 67% | 0.669 | S | S | . | * | | | trans | -46.7 | 93.9 | 177.2 | 165.3 | 0 | 0 | 0 | 0 | 109.1 | I244 N248 S249 | I244-S246 PolarHBondContact O-N 2.96Å; S246-N248 PolarHBondContact O-N 2.84Å; S246-S249 PolarHBondContact O-N 2.76Å |
| 247 | G | 39.5 | Very low | 39.5 | Very low | 48 Ų | 48 | 112.2 Ų | 112.2 | 50% | 0.495 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.8 | -4.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E245 S249 T250 | E245-G247 VanDerWaalsContact C-N 3.28Å; E245-G247 PolarHBondContact O-N 3.04Å; G247-S249 VanDerWaalsContact C-N 3.3Å; G247-T250 PolarHBondContact O-OG1 3Å |
| 248 | N | 40.8 | Very low | 40.8 | Very low | 115 Ų | 115 | 109.6 Ų | 109.6 | 62% | 0.615 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -74.3 | -20.5 | 173.1 | -60.6 | -12.4 | 0 | 0 | 0 | 112.1 | S246 L252 | S246-N248 PolarHBondContact O-N 2.84Å; N248-L252 WeakPolarHBondContact O-CB 3.31Å; N248-L252 PolarHBondContact O-N 3.1Å |
| 249 | S | 43.3 | Very low | 42.8 | Very low | 79 Ų | 79 | 109 Ų | 109 | 55% | 0.552 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.7 | -45.4 | -179.4 | 175 | 0 | 0 | 0 | 0 | 112.5 | S246 G247 K253 | S246-S249 PolarHBondContact O-N 2.76Å; G247-S249 VanDerWaalsContact C-N 3.3Å; S249-K253 WeakPolarHBondContact O-CB 3.44Å; S249-K253 PolarHBondContact O-N 3.47Å |
| 250 | T | 42.2 | Very low | 44.4 | Very low | 96 Ų | 96 | 108.9 Ų | 108.9 | 59% | 0.589 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -72 | -41.4 | -178 | 49.8 | 0 | 0 | 0 | 0 | 111.4 | G247 L252 K253 T254 | G247-T250 PolarHBondContact O-OG1 3Å; T250-L252 PolarHBondContact O-N 3.32Å; T250-K253 WeakPolarHBondContact O-CB 3.4Å; T250-K253 PolarHBondContact O-N 3.49Å; T250-T254 PolarHBondContact O-N 2.94Å; T250-T254 PolarHBondContact O-OG1 3.08Å |
| 251 | M | 39.6 | Very low | 45.9 | Very low | 132 Ų | 132 | 107.5 Ų | 107.5 | 65% | 0.65 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66 | -40.6 | -177.9 | -155.2 | 178.1 | 176.7 | 0 | 0 | 112.4 | K253 T254 I255 | M251-K253 VanDerWaalsContact C-N 3.33Å; M251-T254 PolarHBondContact O-N 3.49Å; M251-I255 HydrophobicContact CG-CD1 4.47Å; M251-I255 VanDerWaalsContact O-CG1 3.26Å; M251-I255 WeakPolarHBondContact O-CG1 3.17Å; M251-I255 PolarHBondContact O-N 3.23Å |
| 252 | L | 40.5 | Very low | 47.5 | Very low | 107 Ų | 107 | 104.4 Ų | 104.4 | 56% | 0.56 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.9 | -35.7 | 173.3 | -81.9 | 163.9 | 0 | 0 | 0 | 112.2 | N248 T250 I255 N256 | N248-L252 WeakPolarHBondContact O-CB 3.31Å; N248-L252 PolarHBondContact O-N 3.1Å; T250-L252 PolarHBondContact O-N 3.32Å; L252-I255 PolarHBondContact O-N 3.39Å; L252-N256 WeakPolarHBondContact O-CB 3.44Å; L252-N256 PolarHBondContact O-N 2.99Å |
| 253 | K | 46.2 | Very low | 49.4 | Very low | 145 Ų | 145 | 104.8 Ų | 104.8 | 63% | 0.63 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.3 | -44.7 | 174.9 | -142.3 | 174.7 | -174.2 | -179.1 | 0 | 110.9 | S249 T250 M251 I255 N256 D257 | S249-K253 WeakPolarHBondContact O-CB 3.44Å; S249-K253 PolarHBondContact O-N 3.47Å; T250-K253 WeakPolarHBondContact O-CB 3.4Å; T250-K253 PolarHBondContact O-N 3.49Å; M251-K253 VanDerWaalsContact C-N 3.33Å; K253-I255 PolarHBondContact O-N 3.42Å; K253-N256 PolarHBondContact O-N 2.79Å; K253-D257 VanDerWaalsContact O-CG 3.31Å; K253-D257 PolarHBondContact O-N 3.29Å |
| 254 | T | 48.2 | Very low | 50.8 | Low | 85 Ų | 85 | 105.5 Ų | 105.5 | 52% | 0.521 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.2 | -38.8 | 175.6 | -45.5 | 0 | 0 | 0 | 0 | 112.3 | T250 M251 D257 T258 | T250-T254 PolarHBondContact O-N 2.94Å; T250-T254 PolarHBondContact O-OG1 3.08Å; M251-T254 PolarHBondContact O-N 3.49Å; T254-D257 PolarHBondContact O-N 3.45Å; T254-T258 WeakPolarHBondContact O-CG2 3.22Å; T254-T258 PolarHBondContact O-N 3.03Å; T254-T258 PolarHBondContact O-OG1 3.3Å |
| 255 | I | 49.3 | Very low | 52.1 | Low | 89 Ų | 89 | 102.1 Ų | 102.1 | 46% | 0.456 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.1 | -39.4 | 177.3 | -66.3 | 163.5 | 0 | 0 | 0 | 111.5 | M251 L252 K253 D257 T258 K259 | M251-I255 HydrophobicContact CG-CD1 4.47Å; M251-I255 VanDerWaalsContact O-CG1 3.26Å; M251-I255 WeakPolarHBondContact O-CG1 3.17Å; M251-I255 PolarHBondContact O-N 3.23Å; L252-I255 PolarHBondContact O-N 3.39Å; K253-I255 PolarHBondContact O-N 3.42Å; I255-D257 VanDerWaalsContact C-N 3.3Å; I255-T258 WeakPolarHBondContact CA-OG1 3.49Å; I255-T258 PolarHBondContact O-N 3.43Å; I255-T258 PolarHBondContact O-OG1 3.01Å; I255-K259 PolarHBondContact O-N 2.99Å |
| 256 | N | 52.6 | Low | 53.5 | Low | 106 Ų | 106 | 99 Ų | 99 | 57% | 0.567 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.7 | -37.2 | 174.7 | -81.8 | -18.3 | 0 | 0 | 0 | 111.3 | L252 K253 K259 H260 | L252-N256 WeakPolarHBondContact O-CB 3.44Å; L252-N256 PolarHBondContact O-N 2.99Å; K253-N256 PolarHBondContact O-N 2.79Å; N256-K259 PolarHBondContact O-N 2.92Å; N256-H260 WeakPolarHBondContact O-CB 3.32Å; N256-H260 PolarHBondContact O-N 3.26Å |
| 257 | D | 58.6 | Low | 55 | Low | 90 Ų | 90 | 97 Ų | 97 | 48% | 0.481 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 174 | -72.4 | -17.3 | 0 | 0 | 0 | 111.4 | K253 T254 I255 H260 Q261 | K253-D257 VanDerWaalsContact O-CG 3.31Å; K253-D257 PolarHBondContact O-N 3.29Å; T254-D257 PolarHBondContact O-N 3.45Å; I255-D257 VanDerWaalsContact C-N 3.3Å; D257-H260 PolarHBondContact O-N 3.21Å; D257-Q261 WeakPolarHBondContact O-CB 3.29Å; D257-Q261 WeakPolarHBondContact O-CG 3.42Å; D257-Q261 PolarHBondContact O-N 3.14Å |
| 258 | T | 57 | Low | 56.5 | Low | 65 Ų | 65 | 99.5 Ų | 99.5 | 40% | 0.399 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.4 | -38.2 | 176.6 | 57.1 | 0 | 0 | 0 | 0 | 112.3 | T254 I255 Q261 C262 | T254-T258 WeakPolarHBondContact O-CG2 3.22Å; T254-T258 PolarHBondContact O-N 3.03Å; T254-T258 PolarHBondContact O-OG1 3.3Å; I255-T258 WeakPolarHBondContact CA-OG1 3.49Å; I255-T258 PolarHBondContact O-N 3.43Å; I255-T258 PolarHBondContact O-OG1 3.01Å; T258-Q261 PolarHBondContact O-N 2.66Å; T258-C262 PolarHBondContact O-N 2.63Å; T258-C262 PolarHBondContact O-SG 3.46Å |
| 259 | K | 69.7 | Low | 57.8 | Low | 130 Ų | 130 | 100.2 Ų | 100.2 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.5 | -46.9 | 175.3 | -172.5 | -179.6 | 176.4 | -174.3 | 0 | 111.5 | I255 N256 Q261 C262 E263 | I255-K259 PolarHBondContact O-N 2.99Å; N256-K259 PolarHBondContact O-N 2.92Å; K259-Q261 VanDerWaalsContact C-N 3.32Å; K259-Q261 PolarHBondContact O-N 2.86Å; K259-C262 PolarHBondContact O-N 2.81Å; K259-E263 PolarHBondContact O-N 3.03Å |
| 260 | H | 61.3 | Low | 59.3 | Low | 111 Ų | 111 | 102.7 Ų | 102.7 | 51% | 0.514 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.8 | -39.3 | 176.3 | -178.2 | -91.1 | 0 | 0 | 0 | 111.7 | N256 D257 E263 L264 | N256-H260 WeakPolarHBondContact O-CB 3.32Å; N256-H260 PolarHBondContact O-N 3.26Å; D257-H260 PolarHBondContact O-N 3.21Å; H260-E263 PolarHBondContact O-N 3.47Å; H260-L264 VanDerWaalsContact CE1-CD1 3.46Å; H260-L264 WeakPolarHBondContact CE1-CD1 3.31Å; H260-L264 WeakPolarHBondContact O-CG 3.25Å; H260-L264 PolarHBondContact O-N 2.96Å |
| 261 | Q | 60.5 | Low | 60.7 | Low | 110 Ų | 110 | 103.7 Ų | 103.7 | 51% | 0.514 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 173.6 | -75.8 | 174.8 | 3 | 0 | 0 | 112.3 | D257 T258 K259 E263 L264 I265 | D257-Q261 WeakPolarHBondContact O-CB 3.29Å; D257-Q261 WeakPolarHBondContact O-CG 3.42Å; D257-Q261 PolarHBondContact O-N 3.14Å; T258-Q261 PolarHBondContact O-N 2.66Å; K259-Q261 VanDerWaalsContact C-N 3.32Å; K259-Q261 PolarHBondContact O-N 2.86Å; Q261-E263 PolarHBondContact O-N 2.82Å; Q261-L264 PolarHBondContact O-N 3.28Å; Q261-I265 VanDerWaalsContact O-CG1 3.26Å; Q261-I265 WeakPolarHBondContact O-CG1 3.38Å; Q261-I265 PolarHBondContact O-N 3.46Å |
| 262 | C | 62.2 | Low | 62.2 | Low | 71 Ų | 71 | 101.3 Ų | 101.3 | 48% | 0.48 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | 175.6 | -72.4 | 0 | 0 | 0 | 0 | 112.1 | T258 K259 I265 N266 | T258-C262 PolarHBondContact O-N 2.63Å; T258-C262 PolarHBondContact O-SG 3.46Å; K259-C262 PolarHBondContact O-N 2.81Å; C262-I265 PolarHBondContact O-N 2.58Å; C262-N266 WeakPolarHBondContact O-CB 3.46Å; C262-N266 VanDerWaalsContact O-CG 3.28Å; C262-N266 PolarHBondContact O-N 3.36Å; C262-N266 PolarHBondContact O-ND2 2.9Å |
| 263 | E | 71 | Confident | 63.6 | Low | 117 Ų | 117 | 99.9 Ų | 99.9 | 55% | 0.547 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 175.8 | -73.8 | 176.5 | -171.2 | 0 | 0 | 111.8 | K259 H260 Q261 N266 G267 | K259-E263 PolarHBondContact O-N 3.03Å; H260-E263 PolarHBondContact O-N 3.47Å; Q261-E263 PolarHBondContact O-N 2.82Å; E263-N266 PolarHBondContact O-N 3.45Å; E263-G267 PolarHBondContact O-N 3.04Å |
| 264 | L | 65.8 | Low | 64.9 | Low | 106 Ų | 106 | 99.8 Ų | 99.8 | 56% | 0.555 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.5 | -44.1 | 174.3 | -74.8 | 173.4 | 0 | 0 | 0 | 112.5 | H260 Q261 G267 L268 | H260-L264 VanDerWaalsContact CE1-CD1 3.46Å; H260-L264 WeakPolarHBondContact CE1-CD1 3.31Å; H260-L264 WeakPolarHBondContact O-CG 3.25Å; H260-L264 PolarHBondContact O-N 2.96Å; Q261-L264 PolarHBondContact O-N 3.28Å; L264-G267 PolarHBondContact O-N 3.19Å; L264-L268 PolarHBondContact O-N 3.32Å |
| 265 | I | 65.5 | Low | 66 | Low | 90 Ų | 90 | 102 Ų | 102 | 46% | 0.462 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 178.2 | -69.8 | 165.7 | 0 | 0 | 0 | 110.2 | Q261 C262 G267 L268 F269 | Q261-I265 VanDerWaalsContact O-CG1 3.26Å; Q261-I265 WeakPolarHBondContact O-CG1 3.38Å; Q261-I265 PolarHBondContact O-N 3.46Å; C262-I265 PolarHBondContact O-N 2.58Å; I265-G267 VanDerWaalsContact C-N 3.33Å; I265-G267 PolarHBondContact O-N 2.79Å; I265-L268 PolarHBondContact O-N 2.91Å; I265-F269 HydrophobicContact CG2-CD2 3.76Å; I265-F269 HydrophobicContact CG2-CE2 3.87Å; I265-F269 WeakPolarHBondContact O-CD2 3.39Å; I265-F269 PolarHBondContact O-N 2.94Å |
| 266 | N | 69.2 | Low | 66.6 | Low | 111 Ų | 111 | 102 Ų | 102 | 59% | 0.594 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63 | -39.9 | 177.3 | -74.4 | -17.8 | 0 | 0 | 0 | 112 | C262 E263 L268 F269 H270 | C262-N266 WeakPolarHBondContact O-CB 3.46Å; C262-N266 VanDerWaalsContact O-CG 3.28Å; C262-N266 PolarHBondContact O-N 3.36Å; C262-N266 PolarHBondContact O-ND2 2.9Å; E263-N266 PolarHBondContact O-N 3.45Å; N266-L268 VanDerWaalsContact C-N 3.34Å; N266-L268 PolarHBondContact O-N 3.44Å; N266-F269 PolarHBondContact O-N 3.3Å; N266-H270 WeakPolarHBondContact O-CB 3.44Å; N266-H270 PolarHBondContact O-N 3.31Å |
| 267 | G | 71.4 | Confident | 67.2 | Low | 33 Ų | 33 | 100.4 Ų | 100.4 | 34% | 0.34 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E263 L264 I265 H270 Q271 | E263-G267 PolarHBondContact O-N 3.04Å; L264-G267 PolarHBondContact O-N 3.19Å; I265-G267 VanDerWaalsContact C-N 3.33Å; I265-G267 PolarHBondContact O-N 2.79Å; G267-H270 PolarHBondContact O-N 2.91Å; G267-Q271 WeakPolarHBondContact O-CG 3.41Å; G267-Q271 PolarHBondContact O-N 3.17Å; G267-Q271 VanDerWaalsContact O-N 3.1Å |
| 268 | L | 72.2 | Confident | 67.3 | Low | 101 Ų | 101 | 99.6 Ų | 99.6 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.7 | -46.6 | 176.4 | -176.4 | 66 | 0 | 0 | 0 | 111.8 | L264 I265 N266 H270 Q271 I272 | L264-L268 PolarHBondContact O-N 3.32Å; I265-L268 PolarHBondContact O-N 2.91Å; N266-L268 VanDerWaalsContact C-N 3.34Å; N266-L268 PolarHBondContact O-N 3.44Å; L268-H270 VanDerWaalsContact C-N 3.31Å; L268-H270 PolarHBondContact O-N 3.4Å; L268-Q271 PolarHBondContact O-N 3.35Å; L268-I272 HydrophobicContact CD1-CD1 4.32Å; L268-I272 HydrophobicContact CG-CD1 3.97Å; L268-I272 WeakPolarHBondContact O-CG1 3.46Å; L268-I272 PolarHBondContact O-N 3.24Å |
| 269 | F | 68.4 | Low | 67.5 | Low | 131 Ų | 131 | 101.3 Ų | 101.3 | 58% | 0.575 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -57.5 | -45 | 175.3 | -94.6 | -77.8 | 0 | 0 | 0 | 111.5 | I265 N266 Q271 I272 T273 | I265-F269 HydrophobicContact CG2-CD2 3.76Å; I265-F269 HydrophobicContact CG2-CE2 3.87Å; I265-F269 WeakPolarHBondContact O-CD2 3.39Å; I265-F269 PolarHBondContact O-N 2.94Å; N266-F269 PolarHBondContact O-N 3.3Å; F269-Q271 VanDerWaalsContact C-N 3.33Å; F269-Q271 PolarHBondContact O-N 3.07Å; F269-I272 PolarHBondContact O-N 2.89Å; F269-T273 WeakPolarHBondContact O-CB 3.37Å; F269-T273 PolarHBondContact O-N 3.39Å; F269-T273 PolarHBondContact O-OG1 3.45Å |
| 270 | H | 73.5 | Confident | 67.3 | Low | 130 Ų | 130 | 101 Ų | 101 | 60% | 0.602 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.5 | -41.8 | 177.6 | -174.3 | 70.5 | 0 | 0 | 0 | 112.5 | N266 G267 L268 K274 | N266-H270 WeakPolarHBondContact O-CB 3.44Å; N266-H270 PolarHBondContact O-N 3.31Å; G267-H270 PolarHBondContact O-N 2.91Å; L268-H270 VanDerWaalsContact C-N 3.31Å; L268-H270 PolarHBondContact O-N 3.4Å; H270-K274 WeakPolarHBondContact O-CB 3.01Å; H270-K274 PolarHBondContact O-N 3.42Å |
| 271 | Q | 73 | Confident | 67.5 | Low | 117 Ų | 117 | 101 Ų | 101 | 55% | 0.547 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.4 | -41.9 | 176 | -73.7 | -173.6 | 36.1 | 0 | 0 | 112.7 | G267 L268 F269 K274 K275 | G267-Q271 WeakPolarHBondContact O-CG 3.41Å; G267-Q271 PolarHBondContact O-N 3.17Å; G267-Q271 VanDerWaalsContact O-N 3.1Å; L268-Q271 PolarHBondContact O-N 3.35Å; F269-Q271 VanDerWaalsContact C-N 3.33Å; F269-Q271 PolarHBondContact O-N 3.07Å; Q271-K274 PolarHBondContact O-N 3.01Å; Q271-K275 WeakPolarHBondContact O-CG 3.47Å; Q271-K275 PolarHBondContact O-N 3.33Å |
| 272 | I | 71.2 | Confident | 67.8 | Low | 82 Ų | 82 | 101.8 Ų | 101.8 | 42% | 0.421 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.3 | -47.8 | 177.4 | -68.3 | 169.1 | 0 | 0 | 0 | 110 | L268 F269 K274 K275 L276 | L268-I272 HydrophobicContact CD1-CD1 4.32Å; L268-I272 HydrophobicContact CG-CD1 3.97Å; L268-I272 WeakPolarHBondContact O-CG1 3.46Å; L268-I272 PolarHBondContact O-N 3.24Å; F269-I272 PolarHBondContact O-N 2.89Å; I272-K274 VanDerWaalsContact C-N 3.35Å; I272-K274 PolarHBondContact O-N 3Å; I272-K275 PolarHBondContact O-N 3.46Å; I272-L276 HydrophobicContact CG2-CD1 3.85Å; I272-L276 HydrophobicContact CG2-CG 4.43Å; I272-L276 WeakPolarHBondContact O-CG 3.39Å; I272-L276 PolarHBondContact O-N 2.84Å |
| 273 | T | 69.8 | Low | 68.5 | Low | 78 Ų | 78 | 102.5 Ų | 102.5 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.6 | -46.8 | 177.9 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | F269 K275 L276 T277 | F269-T273 WeakPolarHBondContact O-CB 3.37Å; F269-T273 PolarHBondContact O-N 3.39Å; F269-T273 PolarHBondContact O-OG1 3.45Å; T273-K275 VanDerWaalsContact C-N 3.31Å; T273-K275 PolarHBondContact O-N 2.87Å; T273-L276 PolarHBondContact O-N 3.19Å; T273-T277 PolarHBondContact O-N 3.11Å; T273-T277 PolarHBondContact O-OG1 2.92Å |
| 274 | K | 73.5 | Confident | 68.5 | Low | 143 Ų | 143 | 102.5 Ų | 102.5 | 62% | 0.622 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.2 | -41.4 | 177.9 | -170 | 175.9 | -178.6 | 179.1 | 0 | 112 | H270 Q271 I272 T277 C278 | H270-K274 WeakPolarHBondContact O-CB 3.01Å; H270-K274 PolarHBondContact O-N 3.42Å; Q271-K274 PolarHBondContact O-N 3.01Å; I272-K274 VanDerWaalsContact C-N 3.35Å; I272-K274 PolarHBondContact O-N 3Å; K274-T277 PolarHBondContact O-N 3.28Å; K274-C278 PolarHBondContact O-N 3.3Å; K274-C278 PolarHBondContact O-SG 3.14Å; K274-C278 VanDerWaalsContact O-SG 3.32Å |
| 275 | K | 70.2 | Confident | 68.9 | Low | 131 Ų | 131 | 105.8 Ų | 105.8 | 57% | 0.57 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.4 | -40.6 | 177.1 | -74.7 | -173.3 | 177.2 | -168.3 | 0 | 112.7 | Q271 I272 T273 C278 L279 | Q271-K275 WeakPolarHBondContact O-CG 3.47Å; Q271-K275 PolarHBondContact O-N 3.33Å; I272-K275 PolarHBondContact O-N 3.46Å; T273-K275 VanDerWaalsContact C-N 3.31Å; T273-K275 PolarHBondContact O-N 2.87Å; K275-C278 PolarHBondContact O-N 3.03Å; K275-L279 PolarHBondContact O-N 2.99Å; K275-L279 VanDerWaalsContact O-N 3.08Å |
| 276 | L | 63.2 | Low | 69 | Low | 88 Ų | 88 | 104.4 Ų | 104.4 | 46% | 0.461 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 176.2 | -75.4 | 167.5 | 0 | 0 | 0 | 111.8 | I272 T273 C278 L279 H280 | I272-L276 HydrophobicContact CG2-CD1 3.85Å; I272-L276 HydrophobicContact CG2-CG 4.43Å; I272-L276 WeakPolarHBondContact O-CG 3.39Å; I272-L276 PolarHBondContact O-N 2.84Å; T273-L276 PolarHBondContact O-N 3.19Å; L276-C278 PolarHBondContact O-N 3.43Å; L276-L279 PolarHBondContact O-N 3.35Å; L276-H280 PolarHBondContact O-N 3.29Å |
| 277 | T | 63.7 | Low | 69.1 | Low | 73 Ų | 73 | 102.8 Ų | 102.8 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 175 | -50.7 | 0 | 0 | 0 | 0 | 111.9 | T273 K274 L279 H280 E281 | T273-T277 PolarHBondContact O-N 3.11Å; T273-T277 PolarHBondContact O-OG1 2.92Å; K274-T277 PolarHBondContact O-N 3.28Å; T277-L279 VanDerWaalsContact C-N 3.32Å; T277-L279 PolarHBondContact O-N 3.45Å; T277-H280 PolarHBondContact O-N 3.45Å; T277-E281 PolarHBondContact O-N 2.95Å |
| 278 | C | 61.1 | Low | 69.3 | Low | 74 Ų | 74 | 105.5 Ų | 105.5 | 50% | 0.5 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.4 | -35.6 | 175.9 | -66.2 | 0 | 0 | 0 | 0 | 112.9 | K274 K275 L276 F282 | K274-C278 PolarHBondContact O-N 3.3Å; K274-C278 PolarHBondContact O-SG 3.14Å; K274-C278 VanDerWaalsContact O-SG 3.32Å; K275-C278 PolarHBondContact O-N 3.03Å; L276-C278 PolarHBondContact O-N 3.43Å; C278-F282 WeakPolarHBondContact O-CB 3.35Å; C278-F282 PolarHBondContact O-N 3.48Å |
| 279 | L | 61.3 | Low | 69.3 | Low | 100 Ų | 100 | 107.4 Ų | 107.4 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.3 | -43.6 | 175.1 | -75.6 | 167.9 | 0 | 0 | 0 | 111.5 | K275 L276 T277 E281 F282 D283 | K275-L279 PolarHBondContact O-N 2.99Å; K275-L279 VanDerWaalsContact O-N 3.08Å; L276-L279 PolarHBondContact O-N 3.35Å; T277-L279 VanDerWaalsContact C-N 3.32Å; T277-L279 PolarHBondContact O-N 3.45Å; L279-E281 PolarHBondContact O-N 2.92Å; L279-F282 WeakPolarHBondContact O-CB 3.29Å; L279-F282 PolarHBondContact O-N 2.84Å; L279-D283 PolarHBondContact O-N 3.41Å |
| 280 | H | 66.4 | Low | 69.4 | Low | 124 Ų | 124 | 106.6 Ų | 106.6 | 57% | 0.574 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.3 | -39.5 | 176.5 | -70.3 | -171.3 | 0 | 0 | 0 | 112.4 | L276 T277 F282 D283 E284 | L276-H280 PolarHBondContact O-N 3.29Å; T277-H280 PolarHBondContact O-N 3.45Å; H280-F282 VanDerWaalsContact C-N 3.32Å; H280-F282 PolarHBondContact O-N 3.29Å; H280-D283 PolarHBondContact O-N 3.49Å; H280-E284 WeakPolarHBondContact O-CG 3.44Å; H280-E284 PolarHBondContact O-N 3Å |
| 281 | E | 65.2 | Low | 69.5 | Low | 111 Ų | 111 | 106 Ų | 106 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.6 | -35.2 | 174.2 | -78.1 | -175 | -178.7 | 0 | 0 | 112.5 | T277 L279 R285 | T277-E281 PolarHBondContact O-N 2.95Å; L279-E281 PolarHBondContact O-N 2.92Å; E281-R285 WeakPolarHBondContact O-CG 3.38Å; E281-R285 PolarHBondContact O-N 3.23Å |
| 282 | F | 65.3 | Low | 70 | Confident | 126 Ų | 126 | 105.3 Ų | 105.3 | 55% | 0.553 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.6 | -46 | 174.8 | -176.3 | -99 | 0 | 0 | 0 | 111 | C278 L279 H280 E284 R285 V286 | C278-F282 WeakPolarHBondContact O-CB 3.35Å; C278-F282 PolarHBondContact O-N 3.48Å; L279-F282 WeakPolarHBondContact O-CB 3.29Å; L279-F282 PolarHBondContact O-N 2.84Å; H280-F282 VanDerWaalsContact C-N 3.32Å; H280-F282 PolarHBondContact O-N 3.29Å; F282-E284 PolarHBondContact O-N 2.89Å; F282-R285 PolarHBondContact O-N 3.06Å; F282-V286 HydrophobicContact CD1-CG2 3.99Å; F282-V286 HydrophobicContact CE1-CG2 3.61Å; F282-V286 HydrophobicContact CE2-CG2 4.17Å; F282-V286 HydrophobicContact CG-CG2 4.44Å; F282-V286 HydrophobicContact CZ-CG2 3.7Å; F282-V286 WeakPolarHBondContact O-CG2 3.46Å; F282-V286 PolarHBondContact O-N 3.04Å |
| 283 | D | 77 | Confident | 70 | Confident | 86 Ų | 86 | 103.4 Ų | 103.4 | 46% | 0.46 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.2 | -44.6 | 177.4 | -76.2 | -16.3 | 0 | 0 | 0 | 111.5 | L279 H280 R285 V286 I287 | L279-D283 PolarHBondContact O-N 3.41Å; H280-D283 PolarHBondContact O-N 3.49Å; D283-R285 PolarHBondContact O-N 3.03Å; D283-V286 PolarHBondContact O-N 2.86Å; D283-I287 WeakPolarHBondContact O-CB 3.31Å; D283-I287 WeakPolarHBondContact O-CD1 3.38Å; D283-I287 WeakPolarHBondContact O-CG1 3.4Å; D283-I287 PolarHBondContact O-N 2.98Å |
| 284 | E | 71.4 | Confident | 70.3 | Confident | 117 Ų | 117 | 102.7 Ų | 102.7 | 55% | 0.547 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 176.3 | -77.3 | -68.5 | 156.7 | 0 | 0 | 112.5 | H280 F282 N288 | H280-E284 WeakPolarHBondContact O-CG 3.44Å; H280-E284 PolarHBondContact O-N 3Å; F282-E284 PolarHBondContact O-N 2.89Å; E284-N288 WeakPolarHBondContact O-CB 3.48Å; E284-N288 VanDerWaalsContact O-CG 3.29Å; E284-N288 PolarHBondContact O-N 2.77Å; E284-N288 PolarHBondContact O-ND2 3.24Å |
| 285 | R | 73.7 | Confident | 70.6 | Confident | 176 Ų | 176 | 100.2 Ų | 100.2 | 66% | 0.664 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.3 | -43 | 177.2 | -72.5 | -177 | -172.7 | -170 | 4.6 | 112 | E281 F282 D283 N288 Q289 | E281-R285 WeakPolarHBondContact O-CG 3.38Å; E281-R285 PolarHBondContact O-N 3.23Å; F282-R285 PolarHBondContact O-N 3.06Å; D283-R285 PolarHBondContact O-N 3.03Å; R285-N288 PolarHBondContact O-N 3.22Å; R285-Q289 WeakPolarHBondContact O-CG 3.48Å; R285-Q289 PolarHBondContact O-N 3.37Å |
| 286 | V | 67.9 | Low | 71.1 | Confident | 60 Ų | 60 | 98.3 Ų | 98.3 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 179.2 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | F282 D283 N288 Q289 L290 | F282-V286 HydrophobicContact CD1-CG2 3.99Å; F282-V286 HydrophobicContact CE1-CG2 3.61Å; F282-V286 HydrophobicContact CE2-CG2 4.17Å; F282-V286 HydrophobicContact CG-CG2 4.44Å; F282-V286 HydrophobicContact CZ-CG2 3.7Å; F282-V286 WeakPolarHBondContact O-CG2 3.46Å; F282-V286 PolarHBondContact O-N 3.04Å; D283-V286 PolarHBondContact O-N 2.86Å; V286-N288 VanDerWaalsContact C-N 3.34Å; V286-N288 PolarHBondContact O-N 3.23Å; V286-Q289 PolarHBondContact O-N 3.44Å; V286-L290 WeakPolarHBondContact O-CB 3.35Å; V286-L290 PolarHBondContact O-N 2.98Å |
| 287 | I | 71.2 | Confident | 71.8 | Confident | 78 Ų | 78 | 98.5 Ų | 98.5 | 40% | 0.4 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 176.3 | -70.1 | 164.9 | 0 | 0 | 0 | 110.4 | D283 Q289 L290 Q291 | D283-I287 WeakPolarHBondContact O-CB 3.31Å; D283-I287 WeakPolarHBondContact O-CD1 3.38Å; D283-I287 WeakPolarHBondContact O-CG1 3.4Å; D283-I287 PolarHBondContact O-N 2.98Å; I287-Q289 PolarHBondContact O-N 3.11Å; I287-L290 PolarHBondContact O-N 2.77Å; I287-Q291 HydrophobicContact CG2-CG 4.45Å; I287-Q291 WeakPolarHBondContact O-CB 3.2Å; I287-Q291 VanDerWaalsContact O-CG 3.31Å; I287-Q291 WeakPolarHBondContact O-CG 3.49Å; I287-Q291 PolarHBondContact O-N 2.94Å |
| 288 | N | 76.6 | Confident | 72.4 | Confident | 89 Ų | 89 | 98.6 Ų | 98.6 | 48% | 0.476 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 178 | -77 | -48.8 | 0 | 0 | 0 | 112.5 | E284 R285 V286 Q291 N292 | E284-N288 WeakPolarHBondContact O-CB 3.48Å; E284-N288 VanDerWaalsContact O-CG 3.29Å; E284-N288 PolarHBondContact O-N 2.77Å; E284-N288 PolarHBondContact O-ND2 3.24Å; R285-N288 PolarHBondContact O-N 3.22Å; V286-N288 VanDerWaalsContact C-N 3.34Å; V286-N288 PolarHBondContact O-N 3.23Å; N288-Q291 PolarHBondContact O-N 2.92Å; N288-N292 PolarHBondContact O-N 3.05Å |
| 289 | Q | 72 | Confident | 73 | Confident | 141 Ų | 141 | 98.2 Ų | 98.2 | 66% | 0.659 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.6 | -42.2 | 175.3 | -74.8 | -178.3 | -9.9 | 0 | 0 | 112 | R285 V286 I287 N292 A293 | R285-Q289 WeakPolarHBondContact O-CG 3.48Å; R285-Q289 PolarHBondContact O-N 3.37Å; V286-Q289 PolarHBondContact O-N 3.44Å; I287-Q289 PolarHBondContact O-N 3.11Å; Q289-N292 PolarHBondContact O-N 3.03Å; Q289-A293 PolarHBondContact O-N 3.34Å |
| 290 | L | 69.4 | Low | 73.2 | Confident | 114 Ų | 114 | 98.5 Ų | 98.5 | 60% | 0.597 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.3 | -40.7 | 178.4 | -168.7 | 71.8 | 0 | 0 | 0 | 111.7 | V286 I287 N292 A293 C294 | V286-L290 WeakPolarHBondContact O-CB 3.35Å; V286-L290 PolarHBondContact O-N 2.98Å; I287-L290 PolarHBondContact O-N 2.77Å; L290-N292 VanDerWaalsContact C-N 3.35Å; L290-A293 PolarHBondContact O-N 3.35Å; L290-C294 WeakPolarHBondContact O-CB 3.4Å; L290-C294 PolarHBondContact O-N 3.12Å; L290-C294 PolarHBondContact O-SG 3.31Å |
| 291 | Q | 77.4 | Confident | 73.2 | Confident | 118 Ų | 118 | 97.9 Ų | 97.9 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.1 | -42.3 | 174.7 | -75 | 176.7 | -1.4 | 0 | 0 | 111.9 | I287 N288 C294 Q295 | I287-Q291 HydrophobicContact CG2-CG 4.45Å; I287-Q291 WeakPolarHBondContact O-CB 3.2Å; I287-Q291 VanDerWaalsContact O-CG 3.31Å; I287-Q291 WeakPolarHBondContact O-CG 3.49Å; I287-Q291 PolarHBondContact O-N 2.94Å; N288-Q291 PolarHBondContact O-N 2.92Å; Q291-C294 PolarHBondContact O-N 2.75Å; Q291-Q295 PolarHBondContact O-N 2.92Å |
| 292 | N | 82.6 | Confident | 73.4 | Confident | 102 Ų | 102 | 98.4 Ų | 98.4 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 175.8 | -165.7 | 8.3 | 0 | 0 | 0 | 111.6 | N288 Q289 L290 C294 Q295 I296 | N288-N292 PolarHBondContact O-N 3.05Å; Q289-N292 PolarHBondContact O-N 3.03Å; L290-N292 VanDerWaalsContact C-N 3.35Å; N292-C294 PolarHBondContact O-N 3.35Å; N292-Q295 WeakPolarHBondContact O-CB 3.14Å; N292-Q295 PolarHBondContact O-N 3.4Å; N292-I296 WeakPolarHBondContact O-CG1 3.35Å; N292-I296 PolarHBondContact O-N 3.05Å |
| 293 | A | 72.3 | Confident | 73.4 | Confident | 42 Ų | 42 | 96.6 Ų | 96.6 | 35% | 0.347 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q289 L290 Q295 I296 I297 | Q289-A293 PolarHBondContact O-N 3.34Å; L290-A293 PolarHBondContact O-N 3.35Å; A293-Q295 VanDerWaalsContact C-N 3.31Å; A293-Q295 PolarHBondContact O-N 3.41Å; A293-I296 PolarHBondContact O-N 3.36Å; A293-I297 VanDerWaalsContact O-CG1 3.32Å; A293-I297 WeakPolarHBondContact O-CG1 3.34Å; A293-I297 PolarHBondContact O-N 3.47Å |
| 294 | C | 75.6 | Confident | 72.5 | Confident | 63 Ų | 63 | 96.1 Ų | 96.1 | 43% | 0.426 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.7 | -39.2 | 174.8 | -75.8 | 0 | 0 | 0 | 0 | 112.4 | L290 Q291 N292 I297 N298 | L290-C294 WeakPolarHBondContact O-CB 3.4Å; L290-C294 PolarHBondContact O-N 3.12Å; L290-C294 PolarHBondContact O-SG 3.31Å; Q291-C294 PolarHBondContact O-N 2.75Å; N292-C294 PolarHBondContact O-N 3.35Å; C294-I297 PolarHBondContact O-N 3.2Å; C294-N298 WeakPolarHBondContact O-CB 3.41Å; C294-N298 VanDerWaalsContact O-CG 3.3Å; C294-N298 PolarHBondContact O-N 3.45Å; C294-N298 PolarHBondContact O-ND2 3.07Å |
| 295 | Q | 79.2 | Confident | 71.9 | Confident | 92 Ų | 92 | 97.3 Ų | 97.3 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 176.3 | -175.3 | 58.4 | 37.7 | 0 | 0 | 111.4 | Q291 N292 A293 I297 N298 D299 | Q291-Q295 PolarHBondContact O-N 2.92Å; N292-Q295 WeakPolarHBondContact O-CB 3.14Å; N292-Q295 PolarHBondContact O-N 3.4Å; A293-Q295 VanDerWaalsContact C-N 3.31Å; A293-Q295 PolarHBondContact O-N 3.41Å; Q295-I297 VanDerWaalsContact C-N 3.34Å; Q295-I297 PolarHBondContact O-N 2.8Å; Q295-N298 PolarHBondContact O-N 3.13Å; Q295-D299 PolarHBondContact NE2-OD1 2.87Å; Q295-D299 PolarHBondContact NE2-OD2 3.41Å; Q295-D299 PolarHBondContact O-N 3.43Å |
| 296 | I | 80.9 | Confident | 71.1 | Confident | 91 Ų | 91 | 94.6 Ų | 94.6 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 176.8 | -66.2 | 165.8 | 0 | 0 | 0 | 110.9 | N292 A293 N298 D299 L300 | N292-I296 WeakPolarHBondContact O-CG1 3.35Å; N292-I296 PolarHBondContact O-N 3.05Å; A293-I296 PolarHBondContact O-N 3.36Å; I296-N298 VanDerWaalsContact C-N 3.34Å; I296-N298 PolarHBondContact O-N 3.47Å; I296-D299 PolarHBondContact O-N 3.41Å; I296-L300 HydrophobicContact CG2-CD1 4.06Å; I296-L300 WeakPolarHBondContact O-CG 3.47Å; I296-L300 PolarHBondContact O-N 3.17Å |
| 297 | I | 78.2 | Confident | 70.7 | Confident | 91 Ų | 91 | 94.2 Ų | 94.2 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 177.5 | -68.5 | 166.7 | 0 | 0 | 0 | 111 | A293 C294 Q295 D299 L300 Q301 | A293-I297 VanDerWaalsContact O-CG1 3.32Å; A293-I297 WeakPolarHBondContact O-CG1 3.34Å; A293-I297 PolarHBondContact O-N 3.47Å; C294-I297 PolarHBondContact O-N 3.2Å; Q295-I297 VanDerWaalsContact C-N 3.34Å; Q295-I297 PolarHBondContact O-N 2.8Å; I297-D299 VanDerWaalsContact C-N 3.35Å; I297-D299 PolarHBondContact O-N 3Å; I297-L300 PolarHBondContact O-N 3.18Å; I297-Q301 WeakPolarHBondContact O-CG 3.48Å; I297-Q301 PolarHBondContact O-N 2.77Å |
| 298 | N | 75.2 | Confident | 69.9 | Low | 76 Ų | 76 | 96.4 Ų | 96.4 | 41% | 0.406 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 178.5 | -76.5 | -30.1 | 0 | 0 | 0 | 112.5 | C294 Q295 I296 Q301 K302 | C294-N298 WeakPolarHBondContact O-CB 3.41Å; C294-N298 VanDerWaalsContact O-CG 3.3Å; C294-N298 PolarHBondContact O-N 3.45Å; C294-N298 PolarHBondContact O-ND2 3.07Å; Q295-N298 PolarHBondContact O-N 3.13Å; I296-N298 VanDerWaalsContact C-N 3.34Å; I296-N298 PolarHBondContact O-N 3.47Å; N298-Q301 PolarHBondContact O-N 3.42Å; N298-K302 WeakPolarHBondContact O-CG 3.41Å; N298-K302 PolarHBondContact O-N 3.05Å; N298-K302 VanDerWaalsContact O-N 3.09Å |
| 299 | D | 73.4 | Confident | 69 | Low | 65 Ų | 65 | 95.9 Ų | 95.9 | 35% | 0.348 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73 | -35.5 | 179.5 | -68.6 | -25.8 | 0 | 0 | 0 | 111.8 | Q295 I296 I297 K302 T303 | Q295-D299 PolarHBondContact NE2-OD1 2.87Å; Q295-D299 PolarHBondContact NE2-OD2 3.41Å; Q295-D299 PolarHBondContact O-N 3.43Å; I296-D299 PolarHBondContact O-N 3.41Å; I297-D299 VanDerWaalsContact C-N 3.35Å; I297-D299 PolarHBondContact O-N 3Å; D299-K302 PolarHBondContact O-N 3.39Å; D299-K302 IonicContact OD1-NZ 3.39Å; D299-K302 PolarHBondContact OD1-NZ 3.14Å; D299-T303 PolarHBondContact O-N 2.78Å; D299-T303 PolarHBondContact O-OG1 3.39Å |
| 300 | L | 65.6 | Low | 68.3 | Low | 106 Ų | 106 | 92.6 Ų | 92.6 | 56% | 0.555 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.5 | -46.4 | 169.3 | -76.6 | 168.4 | 0 | 0 | 0 | 111.7 | I296 I297 K302 T303 V304 | I296-L300 HydrophobicContact CG2-CD1 4.06Å; I296-L300 WeakPolarHBondContact O-CG 3.47Å; I296-L300 PolarHBondContact O-N 3.17Å; I297-L300 PolarHBondContact O-N 3.18Å; L300-K302 VanDerWaalsContact C-N 3.33Å; L300-K302 PolarHBondContact O-N 2.92Å; L300-T303 WeakPolarHBondContact O-CB 3.4Å; L300-T303 PolarHBondContact O-N 2.94Å; L300-T303 VanDerWaalsContact O-N 3.11Å; L300-V304 WeakPolarHBondContact O-CG2 3.46Å; L300-V304 PolarHBondContact O-N 2.75Å |
| 301 | Q | 67.2 | Low | 67.5 | Low | 112 Ų | 112 | 92.2 Ų | 92.2 | 52% | 0.523 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.1 | -39.2 | 178.1 | -77.7 | -174.9 | -5.7 | 0 | 0 | 113 | I297 N298 T303 K305 | I297-Q301 WeakPolarHBondContact O-CG 3.48Å; I297-Q301 PolarHBondContact O-N 2.77Å; N298-Q301 PolarHBondContact O-N 3.42Å; Q301-T303 VanDerWaalsContact C-N 3.34Å; Q301-K305 WeakPolarHBondContact O-CG 3.49Å; Q301-K305 PolarHBondContact O-N 3.07Å |
| 302 | K | 69.2 | Low | 66.4 | Low | 121 Ų | 121 | 92.5 Ų | 92.5 | 53% | 0.526 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 173.9 | -72.1 | 172.3 | -169.3 | 160 | 0 | 111.4 | N298 D299 L300 K305 L306 | N298-K302 WeakPolarHBondContact O-CG 3.41Å; N298-K302 PolarHBondContact O-N 3.05Å; N298-K302 VanDerWaalsContact O-N 3.09Å; D299-K302 PolarHBondContact O-N 3.39Å; D299-K302 IonicContact OD1-NZ 3.39Å; D299-K302 PolarHBondContact OD1-NZ 3.14Å; L300-K302 VanDerWaalsContact C-N 3.33Å; L300-K302 PolarHBondContact O-N 2.92Å; K302-K305 PolarHBondContact O-N 2.94Å; K302-L306 VanDerWaalsContact O-CG 3.31Å; K302-L306 WeakPolarHBondContact O-CG 3.49Å; K302-L306 PolarHBondContact O-N 3.1Å |
| 303 | T | 65.2 | Low | 65.4 | Low | 89 Ų | 89 | 92.4 Ų | 92.4 | 55% | 0.546 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 180 | -54.1 | 0 | 0 | 0 | 0 | 111.4 | D299 L300 Q301 L306 S307 | D299-T303 PolarHBondContact O-N 2.78Å; D299-T303 PolarHBondContact O-OG1 3.39Å; L300-T303 WeakPolarHBondContact O-CB 3.4Å; L300-T303 PolarHBondContact O-N 2.94Å; L300-T303 VanDerWaalsContact O-N 3.11Å; Q301-T303 VanDerWaalsContact C-N 3.34Å; T303-L306 PolarHBondContact O-N 2.85Å; T303-S307 PolarHBondContact O-N 2.98Å |
| 304 | V | 58.8 | Low | 64.7 | Low | 75 Ų | 75 | 93.4 Ų | 93.4 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66 | -42.3 | 175.6 | 177.6 | 0 | 0 | 0 | 0 | 111.7 | L300 L306 S307 E308 | L300-V304 WeakPolarHBondContact O-CG2 3.46Å; L300-V304 PolarHBondContact O-N 2.75Å; V304-L306 VanDerWaalsContact C-N 3.31Å; V304-L306 PolarHBondContact O-N 3.13Å; V304-S307 WeakPolarHBondContact CA-OG 3.22Å; V304-S307 PolarHBondContact O-N 3.32Å; V304-S307 PolarHBondContact O-OG 2.93Å; V304-E308 HydrophobicContact CG1-CG 4.49Å; V304-E308 PolarHBondContact O-N 3.29Å |
| 305 | K | 57.5 | Low | 63.7 | Low | 142 Ų | 142 | 94.3 Ų | 94.3 | 62% | 0.617 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.3 | -36.4 | 176.2 | -76.4 | -178.7 | 178.5 | 178.7 | 0 | 112.9 | Q301 K302 T309 | Q301-K305 WeakPolarHBondContact O-CG 3.49Å; Q301-K305 PolarHBondContact O-N 3.07Å; K302-K305 PolarHBondContact O-N 2.94Å; K305-T309 WeakPolarHBondContact O-CG2 3.42Å; K305-T309 PolarHBondContact O-N 3.08Å; K305-T309 PolarHBondContact O-OG1 3.24Å |
| 306 | L | 57.2 | Low | 62.5 | Low | 120 Ų | 120 | 95.7 Ų | 95.7 | 63% | 0.628 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -71.1 | -35.5 | 175.5 | -70.2 | 169.9 | 0 | 0 | 0 | 111.8 | K302 T303 V304 T309 S310 | K302-L306 VanDerWaalsContact O-CG 3.31Å; K302-L306 WeakPolarHBondContact O-CG 3.49Å; K302-L306 PolarHBondContact O-N 3.1Å; T303-L306 PolarHBondContact O-N 2.85Å; V304-L306 VanDerWaalsContact C-N 3.31Å; V304-L306 PolarHBondContact O-N 3.13Å; L306-T309 PolarHBondContact O-OG1 3.48Å; L306-S310 WeakPolarHBondContact O-CB 3.23Å; L306-S310 PolarHBondContact O-N 3Å; L306-S310 VanDerWaalsContact O-N 3.14Å; L306-S310 PolarHBondContact O-OG 3.3Å |
| 307 | S | 59.7 | Low | 61.4 | Low | 52 Ų | 52 | 100 Ų | 100 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71 | -40.9 | 176.7 | 70.5 | 0 | 0 | 0 | 0 | 112 | T303 V304 S310 L311 | T303-S307 PolarHBondContact O-N 2.98Å; V304-S307 WeakPolarHBondContact CA-OG 3.22Å; V304-S307 PolarHBondContact O-N 3.32Å; V304-S307 PolarHBondContact O-OG 2.93Å; S307-S310 WeakPolarHBondContact CA-OG 3.4Å; S307-S310 PolarHBondContact O-N 3.04Å; S307-S310 PolarHBondContact O-OG 3.21Å; S307-L311 WeakPolarHBondContact O-CB 3.16Å; S307-L311 PolarHBondContact O-N 3.25Å |
| 308 | E | 54.7 | Low | 60.3 | Low | 123 Ų | 123 | 101 Ų | 101 | 58% | 0.575 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.8 | -46.9 | 176.9 | -76.9 | -179 | 174.8 | 0 | 0 | 112 | V304 S310 L311 L312 | V304-E308 HydrophobicContact CG1-CG 4.49Å; V304-E308 PolarHBondContact O-N 3.29Å; E308-S310 PolarHBondContact O-N 2.92Å; E308-L311 PolarHBondContact O-N 3.34Å; E308-L312 VanDerWaalsContact O-CB 3.28Å; E308-L312 WeakPolarHBondContact O-CB 3.4Å; E308-L312 PolarHBondContact O-N 3.33Å |
| 309 | T | 57.7 | Low | 59.2 | Low | 79 Ų | 79 | 102 Ų | 102 | 49% | 0.485 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.7 | -37.1 | -179.8 | 49.6 | 0 | 0 | 0 | 0 | 112.6 | K305 L306 N313 | K305-T309 WeakPolarHBondContact O-CG2 3.42Å; K305-T309 PolarHBondContact O-N 3.08Å; K305-T309 PolarHBondContact O-OG1 3.24Å; L306-T309 PolarHBondContact O-OG1 3.48Å; T309-N313 WeakPolarHBondContact O-CB 3.45Å; T309-N313 VanDerWaalsContact O-CG 3.25Å; T309-N313 PolarHBondContact O-N 3.32Å; T309-N313 PolarHBondContact O-ND2 3.18Å |
| 310 | S | 56.4 | Low | 58.2 | Low | 71 Ų | 71 | 102.7 Ų | 102.7 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.7 | -41.4 | 176.1 | 57.2 | 0 | 0 | 0 | 0 | 112.6 | L306 S307 E308 S314 | L306-S310 WeakPolarHBondContact O-CB 3.23Å; L306-S310 PolarHBondContact O-N 3Å; L306-S310 VanDerWaalsContact O-N 3.14Å; L306-S310 PolarHBondContact O-OG 3.3Å; S307-S310 WeakPolarHBondContact CA-OG 3.4Å; S307-S310 PolarHBondContact O-N 3.04Å; S307-S310 PolarHBondContact O-OG 3.21Å; E308-S310 PolarHBondContact O-N 2.92Å; S310-S314 WeakPolarHBondContact O-CB 3.48Å; S310-S314 PolarHBondContact O-N 2.91Å |
| 311 | L | 53.5 | Low | 57.5 | Low | 106 Ų | 106 | 105.3 Ų | 105.3 | 56% | 0.555 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63 | -45.5 | 173.9 | -104.1 | 154.4 | 0 | 0 | 0 | 111.7 | S307 E308 N313 S314 L315 | S307-L311 WeakPolarHBondContact O-CB 3.16Å; S307-L311 PolarHBondContact O-N 3.25Å; E308-L311 PolarHBondContact O-N 3.34Å; L311-N313 PolarHBondContact O-N 3.42Å; L311-S314 PolarHBondContact O-N 3.49Å; L311-L315 WeakPolarHBondContact O-CB 3.44Å; L311-L315 WeakPolarHBondContact O-CG 3.44Å; L311-L315 PolarHBondContact O-N 3.21Å |
| 312 | L | 54.8 | Low | 56.6 | Low | 125 Ų | 125 | 107.7 Ų | 107.7 | 65% | 0.654 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.4 | -42.4 | -179.3 | -152.6 | 80.3 | 0 | 0 | 0 | 111.2 | E308 L315 H316 | E308-L312 VanDerWaalsContact O-CB 3.28Å; E308-L312 WeakPolarHBondContact O-CB 3.4Å; E308-L312 PolarHBondContact O-N 3.33Å; L312-L315 PolarHBondContact O-N 3.35Å; L312-H316 WeakPolarHBondContact O-CB 3.46Å; L312-H316 PolarHBondContact O-N 3.46Å |
| 313 | N | 62.1 | Low | 55.8 | Low | 99 Ų | 99 | 109.5 Ų | 109.5 | 53% | 0.529 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.4 | -42.2 | 174.7 | -77.2 | -20.7 | 0 | 0 | 0 | 111.6 | T309 L311 L315 H316 Y317 | T309-N313 WeakPolarHBondContact O-CB 3.45Å; T309-N313 VanDerWaalsContact O-CG 3.25Å; T309-N313 PolarHBondContact O-N 3.32Å; T309-N313 PolarHBondContact O-ND2 3.18Å; L311-N313 PolarHBondContact O-N 3.42Å; N313-L315 PolarHBondContact O-N 2.99Å; N313-H316 PolarHBondContact O-N 3.18Å; N313-Y317 VanDerWaalsContact O-CD2 3.23Å; N313-Y317 WeakPolarHBondContact O-CD2 3.37Å; N313-Y317 PolarHBondContact O-N 3.41Å |
| 314 | S | 55.8 | Low | 54.7 | Low | 63 Ų | 63 | 109.6 Ų | 109.6 | 44% | 0.441 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.2 | -41.3 | 178.5 | -166.9 | 0 | 0 | 0 | 0 | 112.3 | S310 L311 H316 Y317 Q318 | S310-S314 WeakPolarHBondContact O-CB 3.48Å; S310-S314 PolarHBondContact O-N 2.91Å; L311-S314 PolarHBondContact O-N 3.49Å; S314-H316 VanDerWaalsContact C-N 3.34Å; S314-Y317 PolarHBondContact O-N 3.49Å; S314-Q318 WeakPolarHBondContact O-CG 3.26Å; S314-Q318 PolarHBondContact O-N 3.35Å; S314-Q318 VanDerWaalsContact O-N 3.1Å |
| 315 | L | 55 | Low | 53.8 | Low | 83 Ų | 83 | 113.6 Ų | 113.6 | 44% | 0.435 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.9 | -38.4 | 174.6 | -75.7 | 169.5 | 0 | 0 | 0 | 111.5 | L311 L312 N313 Q318 L319 | L311-L315 WeakPolarHBondContact O-CB 3.44Å; L311-L315 WeakPolarHBondContact O-CG 3.44Å; L311-L315 PolarHBondContact O-N 3.21Å; L312-L315 PolarHBondContact O-N 3.35Å; N313-L315 PolarHBondContact O-N 2.99Å; L315-Q318 PolarHBondContact O-N 3.31Å; L315-L319 WeakPolarHBondContact O-CB 3.42Å; L315-L319 WeakPolarHBondContact O-CG 3.43Å; L315-L319 PolarHBondContact O-N 3.43Å |
| 316 | H | 55.4 | Low | 53 | Low | 120 Ų | 120 | 111.8 Ų | 111.8 | 56% | 0.556 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.1 | -43.3 | 177.6 | -159.6 | 79.5 | 0 | 0 | 0 | 111.7 | L312 N313 S314 N320 | L312-H316 WeakPolarHBondContact O-CB 3.46Å; L312-H316 PolarHBondContact O-N 3.46Å; N313-H316 PolarHBondContact O-N 3.18Å; S314-H316 VanDerWaalsContact C-N 3.34Å; H316-N320 WeakPolarHBondContact O-CB 3.17Å; H316-N320 PolarHBondContact O-N 2.93Å |
| 317 | Y | 56.2 | Low | 52.3 | Low | 181 Ų | 181 | 114.1 Ų | 114.1 | 71% | 0.71 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63 | -44.5 | 174.5 | -84.3 | -71.7 | 0 | 0 | 0 | 112.5 | N313 S314 L319 N320 E321 | N313-Y317 VanDerWaalsContact O-CD2 3.23Å; N313-Y317 WeakPolarHBondContact O-CD2 3.37Å; N313-Y317 PolarHBondContact O-N 3.41Å; S314-Y317 PolarHBondContact O-N 3.49Å; Y317-L319 PolarHBondContact O-N 3.22Å; Y317-N320 PolarHBondContact O-N 3.35Å; Y317-E321 PolarHBondContact O-N 3.02Å; Y317-E321 VanDerWaalsContact O-N 3.08Å |
| 318 | Q | 54.9 | Low | 51.3 | Low | 113 Ų | 113 | 118.3 Ų | 118.3 | 53% | 0.528 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.9 | -41.9 | 178.9 | -74.6 | -178.7 | -21.7 | 0 | 0 | 112.4 | S314 L315 H322 | S314-Q318 WeakPolarHBondContact O-CG 3.26Å; S314-Q318 PolarHBondContact O-N 3.35Å; S314-Q318 VanDerWaalsContact O-N 3.1Å; L315-Q318 PolarHBondContact O-N 3.31Å; Q318-H322 PolarHBondContact O-CD2 3.01Å; Q318-H322 VanDerWaalsContact O-CD2 3.25Å; Q318-H322 PolarHBondContact O-N 3.43Å |
| 319 | L | 52.7 | Low | 50.6 | Low | 97 Ų | 97 | 121.2 Ų | 121.2 | 51% | 0.508 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.9 | -40.7 | 177.5 | -71.6 | 170.2 | 0 | 0 | 0 | 111.6 | L315 Y317 E321 H322 F323 | L315-L319 WeakPolarHBondContact O-CB 3.42Å; L315-L319 WeakPolarHBondContact O-CG 3.43Å; L315-L319 PolarHBondContact O-N 3.43Å; Y317-L319 PolarHBondContact O-N 3.22Å; L319-E321 VanDerWaalsContact C-N 3.32Å; L319-E321 PolarHBondContact O-N 2.97Å; L319-H322 PolarHBondContact O-N 3.19Å; L319-H322 VanDerWaalsContact O-N 3.09Å; L319-F323 HydrophobicContact CD2-CE2 4.28Å; L319-F323 VanDerWaalsContact O-CD2 3.25Å; L319-F323 WeakPolarHBondContact O-CD2 3.33Å; L319-F323 PolarHBondContact O-N 3.49Å |
| 320 | N | 52 | Low | 49.7 | Very low | 79 Ų | 79 | 122.8 Ų | 122.8 | 42% | 0.422 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.6 | -36.4 | 177.9 | -111.1 | 1 | 0 | 0 | 0 | 112.6 | H316 Y317 H322 F323 C324 | H316-N320 WeakPolarHBondContact O-CB 3.17Å; H316-N320 PolarHBondContact O-N 2.93Å; Y317-N320 PolarHBondContact O-N 3.35Å; N320-H322 VanDerWaalsContact C-N 3.26Å; N320-H322 PolarHBondContact O-N 3.48Å; N320-F323 PolarHBondContact O-N 3.29Å; N320-C324 VanDerWaalsContact O-CB 3.24Å; N320-C324 WeakPolarHBondContact O-CB 3.4Å; N320-C324 PolarHBondContact O-N 3.06Å |
| 321 | E | 52.4 | Low | 48.9 | Very low | 162 Ų | 162 | 124.4 Ų | 124.4 | 76% | 0.757 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62.1 | -34.7 | 173.2 | -80.9 | -158.5 | 151.1 | 0 | 0 | 112.5 | Y317 L319 | Y317-E321 PolarHBondContact O-N 3.02Å; Y317-E321 VanDerWaalsContact O-N 3.08Å; L319-E321 VanDerWaalsContact C-N 3.32Å; L319-E321 PolarHBondContact O-N 2.97Å |
| 322 | H | 48.2 | Very low | 47.9 | Very low | 161 Ų | 161 | 126.7 Ų | 126.7 | 75% | 0.745 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -77.3 | -30.9 | 179.5 | -81.7 | -65.6 | 0 | 0 | 0 | 114.1 | Q318 L319 N320 | Q318-H322 PolarHBondContact O-CD2 3.01Å; Q318-H322 VanDerWaalsContact O-CD2 3.25Å; Q318-H322 PolarHBondContact O-N 3.43Å; L319-H322 PolarHBondContact O-N 3.19Å; L319-H322 VanDerWaalsContact O-N 3.09Å; N320-H322 VanDerWaalsContact C-N 3.26Å; N320-H322 PolarHBondContact O-N 3.48Å |
| 323 | F | 50.6 | Low | 47 | Very low | 160 Ų | 160 | 125.4 Ų | 125.4 | 70% | 0.702 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -92.2 | -28.4 | -178.8 | -74.6 | -73.4 | 0 | 0 | 0 | 114.2 | L319 N320 Q325 | L319-F323 HydrophobicContact CD2-CE2 4.28Å; L319-F323 VanDerWaalsContact O-CD2 3.25Å; L319-F323 WeakPolarHBondContact O-CD2 3.33Å; L319-F323 PolarHBondContact O-N 3.49Å; N320-F323 PolarHBondContact O-N 3.29Å; F323-Q325 PolarHBondContact O-N 3.47Å |
| 324 | C | 42.9 | Very low | 45.6 | Very low | 90 Ų | 90 | 127.6 Ų | 127.6 | 61% | 0.608 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -85.5 | -3.4 | -171.7 | -72.3 | 0 | 0 | 0 | 0 | 115.4 | N320 P326 | N320-C324 VanDerWaalsContact O-CB 3.24Å; N320-C324 WeakPolarHBondContact O-CB 3.4Å; N320-C324 PolarHBondContact O-N 3.06Å; C324-P326 WeakPolarHBondContact O-CD 3.47Å |
| 325 | Q | 41 | Very low | 44.4 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 74% | 0.743 | 67% | 0.666 | S | S | * | * | | | trans | -115.8 | 92 | 167.8 | -68.2 | -162.6 | 2.4 | 0 | 0 | 109.9 | F323 K327 | F323-Q325 PolarHBondContact O-N 3.47Å; Q325-K327 VanDerWaalsContact C-N 3.34Å; Q325-K327 PolarHBondContact O-N 2.9Å |
| 326 | P | 39.2 | Very low | 43.4 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 68% | 0.675 | 68% | 0.678 | S | S | * | * | | | trans | -54.2 | 110.3 | 155.6 | 23 | -29.7 | 0 | 0 | 0 | 105.6 | C324 I328 | C324-P326 WeakPolarHBondContact O-CD 3.47Å; P326-I328 PolarHBondContact O-N 3.02Å |
| 327 | K | 43 | Very low | 42.2 | Very low | 169 Ų | 169 | 135.4 Ų | 135.4 | 74% | 0.735 | 69% | 0.688 | S | S | * | * | | | trans | -57 | 95.1 | 166.9 | -79.6 | 179.1 | 177.9 | 176.3 | 0 | 105.4 | Q325 F329 | Q325-K327 VanDerWaalsContact C-N 3.34Å; Q325-K327 PolarHBondContact O-N 2.9Å; K327-F329 HydrophobicContact CB-CD2 4.45Å; K327-F329 HydrophobicContact CB-CE2 4.27Å; K327-F329 WeakPolarHBondContact O-CD2 3.16Å; K327-F329 PolarHBondContact O-N 2.92Å |
| 328 | I | 39.7 | Very low | 40.9 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 72% | 0.718 | 69% | 0.687 | S | S | * | * | | | trans | -62.8 | 96.1 | 164.8 | -59.8 | 172.6 | 0 | 0 | 0 | 102.3 | P326 T330 | P326-I328 PolarHBondContact O-N 3.02Å; I328-T330 HydrophobicContact CG2-CG2 4.2Å; I328-T330 PolarHBondContact O-N 2.88Å |
| 329 | F | 39.2 | Very low | 39.7 | Very low | 185 Ų | 185 | 132.9 Ų | 132.9 | 81% | 0.811 | 70% | 0.699 | S | S | * | * | | | trans | -61.4 | 90.6 | 164.2 | -76 | -87.4 | 0 | 0 | 0 | 104.8 | K327 S331 | K327-F329 HydrophobicContact CB-CD2 4.45Å; K327-F329 HydrophobicContact CB-CE2 4.27Å; K327-F329 WeakPolarHBondContact O-CD2 3.16Å; K327-F329 PolarHBondContact O-N 2.92Å; F329-S331 PolarHBondContact O-N 2.87Å |
| 330 | T | 38.8 | Very low | 38.7 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 68% | 0.681 | 71% | 0.713 | S | S | * | * | | | trans | -62.9 | 97.1 | 160.2 | 48.9 | 0 | 0 | 0 | 0 | 104 | I328 E332 | I328-T330 HydrophobicContact CG2-CG2 4.2Å; I328-T330 PolarHBondContact O-N 2.88Å; T330-E332 PolarHBondContact O-N 2.95Å |
| 331 | S | 39 | Very low | 37.6 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | | | trans | -57.9 | 97.4 | 164.5 | 54.4 | 0 | 0 | 0 | 0 | 105.3 | F329 S333 | F329-S331 PolarHBondContact O-N 2.87Å; S331-S333 PolarHBondContact O-N 3.03Å |
| 332 | E | 34.1 | Very low | 36.5 | Very low | 153 Ų | 153 | 144.3 Ų | 144.3 | 72% | 0.715 | 74% | 0.739 | S | S | * | * | | | trans | -60.3 | 94.1 | 161 | -84.6 | -175.7 | 152.2 | 0 | 0 | 105.2 | T330 H334 | T330-E332 PolarHBondContact O-N 2.95Å; E332-H334 PolarHBondContact O-N 3.42Å |
| 333 | S | 35.2 | Very low | 35.7 | Very low | 98 Ų | 98 | 148.5 Ų | 148.5 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | | | trans | -64.1 | 85.7 | 169.5 | 54.9 | 0 | 0 | 0 | 0 | 106 | S331 K335 | S331-S333 PolarHBondContact O-N 3.03Å; S333-K335 VanDerWaalsContact C-N 3.3Å; S333-K335 PolarHBondContact O-N 3.02Å |
| 334 | H | 31.8 | Very low | 34.8 | Very low | 145 Ų | 145 | 147 Ų | 147 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | | | trans | -56.6 | 103.7 | 163.9 | -68.5 | -63.2 | 0 | 0 | 0 | 106.3 | E332 T336 | E332-H334 PolarHBondContact O-N 3.42Å; H334-T336 PolarHBondContact O-N 3.17Å; H334-T336 PolarHBondContact O-OG1 2.82Å |
| 335 | K | 32 | Very low | 34.2 | Very low | 193 Ų | 193 | 146.2 Ų | 146.2 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | | | trans | -60.4 | 77.6 | 168.2 | -78.4 | 178 | 175.1 | 174.9 | 0 | 107.9 | S333 T337 | S333-K335 VanDerWaalsContact C-N 3.3Å; S333-K335 PolarHBondContact O-N 3.02Å; K335-T337 PolarHBondContact O-N 2.92Å |
| 336 | T | 32.3 | Very low | 33.6 | Very low | 113 Ų | 113 | 143.8 Ų | 143.8 | 69% | 0.693 | 76% | 0.756 | S | S | * | * | | | trans | -85.9 | 95.6 | 163.8 | 39.4 | 0 | 0 | 0 | 0 | 106 | H334 N338 | H334-T336 PolarHBondContact O-N 3.17Å; H334-T336 PolarHBondContact O-OG1 2.82Å; T336-N338 PolarHBondContact O-N 2.76Å |
| 337 | T | 30.3 | Very low | 33.3 | Very low | 125 Ų | 125 | 147.8 Ų | 147.8 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | | | trans | -65.4 | 70.3 | 167.9 | 48.1 | 0 | 0 | 0 | 0 | 109.2 | K335 | K335-T337 PolarHBondContact O-N 2.92Š|
| 338 | N | 30 | Very low | 32.8 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 68% | 0.684 | 76% | 0.759 | S | S | * | * | | | trans | -101.7 | 89.6 | 170.2 | -90.1 | -12.9 | 0 | 0 | 0 | 108.9 | T336 F340 | T336-N338 PolarHBondContact O-N 2.76Å; N338-F340 HydrophobicContact CB-CD2 4.47Å; N338-F340 PolarHBondContact O-N 2.95Å |
| 339 | S | 28.9 | Very low | 32.6 | Very low | 112 Ų | 112 | 148.2 Ų | 148.2 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | | | trans | -66.4 | 68.3 | 167.8 | 46.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 340 | F | 31.4 | Very low | 32.4 | Very low | 182 Ų | 182 | 143.7 Ų | 143.7 | 80% | 0.798 | 76% | 0.757 | S | S | * | * | | | trans | -104.1 | 93.3 | 167.6 | -82 | -81.6 | 0 | 0 | 0 | 111.3 | N338 | N338-F340 HydrophobicContact CB-CD2 4.47Å; N338-F340 PolarHBondContact O-N 2.95Å |
| 341 | K | 30.3 | Very low | 32.3 | Very low | 196 Ų | 196 | 148.2 Ų | 148.2 | 85% | 0.852 | 77% | 0.767 | S | S | * | * | | | trans | 9.8 | 113.3 | 158.3 | -73.1 | 176 | 175.9 | 175.3 | 0 | 117.3 | R343 | K341-R343 PolarHBondContact O-N 2.98Å; K341-R343 VanDerWaalsContact O-N 3.11Å |
| 342 | K | 29.8 | Very low | 31.9 | Very low | 200 Ų | 200 | 151.7 Ų | 151.7 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | | | trans | -38.7 | 109.3 | 155.6 | -67.9 | 175.2 | 176.8 | 177.7 | 0 | 111.2 | | |
| 343 | R | 30.6 | Very low | 32 | Very low | 249 Ų | 249 | 153 Ų | 153 | 94% | 0.94 | 77% | 0.772 | S | S | * | * | | | trans | -93.6 | 99.1 | 154.5 | -123 | 178 | 178.5 | 172.8 | -0.8 | 106.6 | K341 G345 | K341-R343 PolarHBondContact O-N 2.98Å; K341-R343 VanDerWaalsContact O-N 3.11Å; R343-G345 VanDerWaalsContact C-N 3.27Å; R343-G345 PolarHBondContact O-N 2.99Å |
| 344 | T | 31.9 | Very low | 31.8 | Very low | 128 Ų | 128 | 155.3 Ų | 155.3 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | trans | -64.8 | 85.4 | 169.7 | 40.9 | 0 | 0 | 0 | 0 | 109 | | |
| 345 | G | 29.1 | Very low | 31.7 | Very low | 75 Ų | 75 | 157.9 Ų | 157.9 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | -101 | 74.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | R343 K347 | R343-G345 VanDerWaalsContact C-N 3.27Å; R343-G345 PolarHBondContact O-N 2.99Å; G345-K347 PolarHBondContact O-N 3.31Å |
| 346 | V | 28.3 | Very low | 31.7 | Very low | 107 Ų | 107 | 156 Ų | 156 | 65% | 0.648 | 78% | 0.781 | S | S | * | * | | | trans | -72.8 | 115.5 | 170.2 | 177.2 | 0 | 0 | 0 | 0 | 107.9 | D348 | V346-D348 WeakPolarHBondContact CG1-OD2 3.41Š|
| 347 | K | 34.6 | Very low | 31.8 | Very low | 188 Ų | 188 | 156.6 Ų | 156.6 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | | | trans | -136.9 | 90.9 | 150.7 | -83.1 | -165 | 177.5 | 179.8 | 0 | 108.6 | G345 F349 | G345-K347 PolarHBondContact O-N 3.31Å; K347-F349 PolarHBondContact O-N 3.19Å |
| 348 | D | 30.7 | Very low | 32 | Very low | 126 Ų | 126 | 156.9 Ų | 156.9 | 67% | 0.674 | 78% | 0.781 | S | S | * | * | | | trans | -54.9 | 113.7 | 167.8 | -70.4 | -56.2 | 0 | 0 | 0 | 110.9 | V346 | V346-D348 WeakPolarHBondContact CG1-OD2 3.41Š|
| 349 | F | 35.9 | Very low | 32 | Very low | 193 Ų | 193 | 154.3 Ų | 154.3 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | trans | -108.9 | 67.2 | 155.2 | -80.3 | -77.6 | 0 | 0 | 0 | 108.7 | K347 K351 | K347-F349 PolarHBondContact O-N 3.19Å; F349-K351 PolarHBondContact O-N 2.95Å |
| 350 | S | 36 | Very low | 32.2 | Very low | 90 Ų | 90 | 155.9 Ų | 155.9 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | | | trans | -83.3 | 84.1 | 170.4 | 53.4 | 0 | 0 | 0 | 0 | 110.1 | K352 | S350-K352 PolarHBondContact O-N 3.42Š|
| 351 | K | 35.4 | Very low | 32.2 | Very low | 206 Ų | 206 | 155.4 Ų | 155.4 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | | | trans | -82.9 | 90.7 | 158.5 | -82.2 | -172.1 | 179 | 178.5 | 0 | 108.9 | F349 K353 | F349-K351 PolarHBondContact O-N 2.95Å; K351-K353 PolarHBondContact O-N 3.15Å |
| 352 | K | 31.9 | Very low | 32.3 | Very low | 179 Ų | 179 | 154.9 Ų | 154.9 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | | | trans | -49.5 | 121.1 | 166 | -73.5 | 175.1 | 174.6 | 174.9 | 0 | 110.5 | S350 | S350-K352 PolarHBondContact O-N 3.42Š|
| 353 | K | 35 | Very low | 32.4 | Very low | 180 Ų | 180 | 155.2 Ų | 155.2 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | | | trans | -123.5 | 102.6 | 144.5 | -82.4 | -165.4 | 175.7 | -176.2 | 0 | 107.6 | K351 Y355 | K351-K353 PolarHBondContact O-N 3.15Å; K353-Y355 PolarHBondContact O-N 2.95Å |
| 354 | N | 31.5 | Very low | 32.4 | Very low | 146 Ų | 146 | 149.1 Ų | 149.1 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | | | trans | -62.6 | 110.8 | 169.6 | -79.8 | -14.4 | 0 | 0 | 0 | 108.4 | | |
| 355 | Y | 30.8 | Very low | 32.3 | Very low | 200 Ų | 200 | 149.6 Ų | 149.6 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | | | trans | -97.7 | 108.2 | 150.7 | -76.8 | -77.9 | 0 | 0 | 0 | 107.2 | K353 V357 | K353-Y355 PolarHBondContact O-N 2.95Å; Y355-V357 PolarHBondContact O-N 3.13Å |
| 356 | N | 31.8 | Very low | 32.4 | Very low | 152 Ų | 152 | 151.3 Ų | 151.3 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | | | trans | -72.5 | 92.9 | 172.3 | -163.5 | 23.2 | 0 | 0 | 0 | 106.8 | | |
| 357 | V | 34.5 | Very low | 32.5 | Very low | 126 Ų | 126 | 154 Ų | 154 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | | | trans | -114.3 | 100.4 | 167.5 | -176.9 | 0 | 0 | 0 | 0 | 107 | Y355 G359 | Y355-V357 PolarHBondContact O-N 3.13Å; V357-G359 PolarHBondContact O-N 2.88Å |
| 358 | D | 32.8 | Very low | 32.2 | Very low | 131 Ų | 131 | 153.5 Ų | 153.5 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | trans | -6.9 | 95.6 | 165.9 | -65.3 | -47.8 | 0 | 0 | 0 | 116.8 | N360 | D358-N360 PolarHBondContact O-N 2.95Š|
| 359 | G | 30.3 | Very low | 32.1 | Very low | 75 Ų | 75 | 156.8 Ų | 156.8 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | | 51.9 | -16.9 | 101.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | V357 | V357-G359 PolarHBondContact O-N 2.88Š|
| 360 | N | 32.6 | Very low | 31.8 | Very low | 144 Ų | 144 | 157 Ų | 157 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | | | trans | -111.5 | 28.8 | -162.8 | -82.1 | -12.9 | 0 | 0 | 0 | 116.5 | D358 | D358-N360 PolarHBondContact O-N 2.95Š|
| 361 | L | 32 | Very low | 31.5 | Very low | 173 Ų | 173 | 156.8 Ų | 156.8 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -144.8 | 30 | 170.4 | -109.9 | 132.6 | 0 | 0 | 0 | 115 | | |
| 362 | K | 32.7 | Very low | 31.1 | Very low | 184 Ų | 184 | 155.7 Ų | 155.7 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | | | trans | -122.7 | 56 | 168.7 | -75.6 | -170.9 | 177.2 | -179.5 | 0 | 112 | | |
| 363 | K | 31.6 | Very low | 30.9 | Very low | 207 Ų | 207 | 152.4 Ų | 152.4 | 90% | 0.9 | 80% | 0.795 | S | S | * | * | | | trans | -145.1 | 68.3 | 157.3 | -79.8 | -168.3 | 179.8 | 177.9 | 0 | 109.6 | | |
| 364 | S | 31.6 | Very low | 30.6 | Very low | 121 Ų | 121 | 148 Ų | 148 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | | | trans | -153.9 | 58.1 | 152 | -175 | 0 | 0 | 0 | 0 | 106.8 | | |
| 365 | I | 29.7 | Very low | 30.3 | Very low | 138 Ų | 138 | 151.2 Ų | 151.2 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | | | trans | -94.9 | 117.2 | 168.8 | -70.8 | 176.6 | 0 | 0 | 0 | 104.5 | | |
| 366 | V | 29.8 | Very low | 30.2 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 68% | 0.679 | 79% | 0.786 | S | S | * | * | | | trans | 71.6 | 86.7 | 151.4 | -176.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 367 | D | 30.3 | Very low | 30.3 | Very low | 162 Ų | 162 | 144.4 Ų | 144.4 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -156.8 | 77.4 | 144 | -92.4 | -28.7 | 0 | 0 | 0 | 107.5 | | |
| 368 | E | 29 | Very low | 30.3 | Very low | 179 Ų | 179 | 146.7 Ų | 146.7 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | | | trans | 167 | 57.5 | 150.5 | -94 | -179.8 | 168.4 | 0 | 0 | 109.5 | | |
| 369 | Q | 27.9 | Very low | 30.3 | Very low | 194 Ų | 194 | 148 Ų | 148 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | | | trans | -92 | 66.5 | 147.1 | -75.6 | -164.6 | -12.8 | 0 | 0 | 107.8 | S371 | Q369-S371 PolarHBondContact O-N 2.93Š|
| 370 | K | 30.4 | Very low | 30.4 | Very low | 197 Ų | 197 | 151.7 Ų | 151.7 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | | | trans | -85.8 | 95 | 157 | -95.4 | -178.9 | 178.5 | 174.4 | 0 | 107.4 | | |
| 371 | S | 29.5 | Very low | 30.1 | Very low | 86 Ų | 86 | 150.2 Ų | 150.2 | 60% | 0.601 | 80% | 0.795 | S | S | * | * | | | trans | -38.1 | 144.3 | 158.2 | 46.8 | 0 | 0 | 0 | 0 | 113.7 | Q369 | Q369-S371 PolarHBondContact O-N 2.93Š|
| 372 | H | 27.4 | Very low | 29.8 | Very low | 184 Ų | 184 | 153 Ų | 153 | 85% | 0.852 | 79% | 0.794 | S | S | * | * | | | trans | 92.5 | 94.8 | 160.9 | -52.2 | -57.3 | 0 | 0 | 0 | 117.9 | | |
| 373 | S | 27.8 | Very low | 29.5 | Very low | 110 Ų | 110 | 149.8 Ų | 149.8 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | | -165 | 105.5 | 111.9 | -172.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 374 | A | 28.4 | Very low | 29.5 | Very low | 87 Ų | 87 | 145.4 Ų | 145.4 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | | | trans | -86.4 | 145.1 | 157.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 375 | Y | 26 | Very low | 29.5 | Very low | 214 Ų | 214 | 145.9 Ų | 145.9 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | | | trans | 84.6 | 130.2 | -170.1 | -68.3 | -100.1 | 0 | 0 | 0 | 113.8 | | |
| 376 | S | 28.8 | Very low | 29.5 | Very low | 87 Ų | 87 | 148.7 Ų | 148.7 | 61% | 0.608 | 80% | 0.795 | S | S | * | * | | | cis | -151.7 | 139.6 | 27.2 | -171.7 | 0 | 0 | 0 | 0 | 110.5 | E378 | S376-E378 PolarHBondContact O-N 3.41Š|
| 377 | P | 33.5 | Very low | 29.5 | Very low | 122 Ų | 122 | 152.3 Ų | 152.3 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | | | trans | -85.1 | 87.3 | 169.9 | 32.6 | -27 | 0 | 0 | 0 | 109.6 | | |
| 378 | E | 34.6 | Very low | 29.3 | Very low | 174 Ų | 174 | 149.5 Ų | 149.5 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | | | trans | -89 | 119.3 | 166.6 | -80.4 | -172.8 | 171.3 | 0 | 0 | 110.5 | S376 D380 | S376-E378 PolarHBondContact O-N 3.41Å; E378-D380 PolarHBondContact O-N 3.07Å |
| 379 | L | 32.5 | Very low | 29.3 | Very low | 159 Ų | 159 | 151.3 Ų | 151.3 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | trans | -56.3 | 114 | 171.2 | -65.2 | 151.8 | 0 | 0 | 0 | 110.5 | | |
| 380 | D | 31.3 | Very low | 29.3 | Very low | 151 Ų | 151 | 151.2 Ų | 151.2 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | | | trans | -108.9 | 70.5 | 167 | -152.6 | 2.1 | 0 | 0 | 0 | 110.6 | E378 | E378-D380 PolarHBondContact O-N 3.07Š|
| 381 | C | 26.9 | Very low | 29.2 | Very low | 113 Ų | 113 | 150.8 Ų | 150.8 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | | | trans | -103.5 | 62.8 | 172.2 | -53.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 382 | R | 25.8 | Very low | 29.2 | Very low | 232 Ų | 232 | 155.6 Ų | 155.6 | 88% | 0.875 | 81% | 0.806 | S | S | * | * | | | trans | -137.1 | 94 | 168.9 | -89 | -171.9 | 173 | -170.2 | -0.6 | 111.8 | | |
| 383 | S | 27.4 | Very low | 29.3 | Very low | 116 Ų | 116 | 153.4 Ų | 153.4 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 143.3 | 155.5 | -166.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 384 | P | 31.7 | Very low | 29.4 | Very low | 115 Ų | 115 | 157.2 Ų | 157.2 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 136.3 | -149.5 | -9.3 | 26.2 | 0 | 0 | 0 | 113.8 | E386 | P384-E386 PolarHBondContact O-N 3.14Š|
| 385 | V | 30.1 | Very low | 29.4 | Very low | 132 Ų | 132 | 158.3 Ų | 158.3 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -66 | 118.1 | 161.2 | 177.6 | 0 | 0 | 0 | 0 | 108.1 | K387 | V385-K387 PolarHBondContact O-N 2.88Å; V385-K387 VanDerWaalsContact O-N 3.08Å |
| 386 | E | 30.3 | Very low | 29.7 | Very low | 196 Ų | 196 | 155.3 Ų | 155.3 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | | | trans | -52.9 | 114.9 | 169.9 | -85.5 | -177.8 | 148.5 | 0 | 0 | 109.8 | P384 | P384-E386 PolarHBondContact O-N 3.14Š|
| 387 | K | 29.7 | Very low | 29.8 | Very low | 188 Ų | 188 | 157.3 Ų | 157.3 | 82% | 0.817 | 81% | 0.806 | S | S | * | * | | | trans | -82.2 | 130.5 | 178.6 | -90.6 | -178.3 | -179.5 | 176.6 | 0 | 109.8 | V385 | V385-K387 PolarHBondContact O-N 2.88Å; V385-K387 VanDerWaalsContact O-N 3.08Å |
| 388 | V | 26.3 | Very low | 29.4 | Very low | 104 Ų | 104 | 158.4 Ų | 158.4 | 63% | 0.63 | 81% | 0.805 | S | S | * | * | | | trans | 76.3 | 105.3 | 133.7 | -175.4 | 0 | 0 | 0 | 0 | 116.7 | K390 | V388-K390 HydrophobicContact CG1-CB 4.29Š|
| 389 | K | 30.1 | Very low | 29.1 | Very low | 217 Ų | 217 | 160 Ų | 160 | 94% | 0.943 | 81% | 0.805 | S | S | * | * | | | | -121.5 | 100.6 | 124.3 | -73.6 | -171.5 | 177.7 | -177.6 | 0 | 108.2 | | |
| 390 | K | 27.7 | Very low | 28.8 | Very low | 191 Ų | 191 | 160.1 Ų | 160.1 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | | | trans | -108 | 100.1 | 168 | -83.9 | -174.7 | 174.1 | -176.8 | 0 | 106.9 | V388 | V388-K390 HydrophobicContact CG1-CB 4.29Š|
| 391 | E | 28.3 | Very low | 28.8 | Very low | 189 Ų | 189 | 158.3 Ų | 158.3 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | | | trans | -152.6 | 122.7 | 162.7 | -91.6 | 174.2 | 167.2 | 0 | 0 | 101.4 | | |
| 392 | E | 29.6 | Very low | 28.8 | Very low | 186 Ų | 186 | 159.7 Ų | 159.7 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | | | cis | -145.3 | 135.5 | 24.3 | -64.7 | 173.7 | 131.2 | 0 | 0 | 108.4 | | |
| 393 | V | 28.7 | Very low | 28.9 | Very low | 139 Ų | 139 | 156.1 Ų | 156.1 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | | | trans | -92.3 | 110.4 | 166.9 | 169.3 | 0 | 0 | 0 | 0 | 106.3 | V395 | V393-V395 HydrophobicContact CG1-CG2 3.83Š|
| 394 | K | 30.8 | Very low | 28.8 | Very low | 190 Ų | 190 | 158 Ų | 158 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | | | trans | -114.6 | 96 | 167.4 | -143.2 | 174.9 | -172.2 | 177.3 | 0 | 108.9 | | |
| 395 | V | 28.1 | Very low | 28.6 | Very low | 109 Ų | 109 | 159.2 Ų | 159.2 | 66% | 0.661 | 78% | 0.784 | S | S | * | * | | | trans | -75.4 | 118.8 | 168.4 | 173 | 0 | 0 | 0 | 0 | 107.6 | V393 | V393-V395 HydrophobicContact CG1-CG2 3.83Š|
| 396 | I | 32.7 | Very low | 28.4 | Very low | 151 Ų | 151 | 159.3 Ų | 159.3 | 77% | 0.774 | 79% | 0.785 | S | S | * | * | | | trans | -132.3 | 130.7 | 156.1 | -62.8 | -177.9 | 0 | 0 | 0 | 107.6 | | |
| 397 | N | 29.1 | Very low | 28.3 | Very low | 130 Ų | 130 | 158.6 Ų | 158.6 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | | | trans | -66.2 | 154.4 | -162.1 | -69.3 | -32.8 | 0 | 0 | 0 | 115.8 | Y399 | N397-Y399 PolarHBondContact O-N 2.95Š|
| 398 | D | 26.7 | Very low | 28 | Very low | 144 Ų | 144 | 158.5 Ų | 158.5 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | | | trans | -40.7 | 121.8 | 156.6 | -60.1 | -52.6 | 0 | 0 | 0 | 113 | | |
| 399 | Y | 27.4 | Very low | 28.2 | Very low | 208 Ų | 208 | 161 Ų | 161 | 82% | 0.816 | 79% | 0.791 | S | S | * | * | | | trans | -120.4 | 85.7 | 154.2 | -116.9 | -94.1 | 0 | 0 | 0 | 107.9 | N397 I401 | N397-Y399 PolarHBondContact O-N 2.95Å; Y399-I401 HydrophobicContact CD1-CD1 3.79Å; Y399-I401 HydrophobicContact CD1-CG1 4.03Å; Y399-I401 HydrophobicContact CE1-CD1 3.76Å; Y399-I401 HydrophobicContact CE1-CG1 4.38Å; Y399-I401 PolarHBondContact O-N 3.26Å |
| 400 | H | 27.1 | Very low | 28 | Very low | 161 Ų | 161 | 157.9 Ų | 157.9 | 75% | 0.745 | 79% | 0.785 | S | S | * | * | | | trans | -72.4 | 101.4 | 160.2 | -98.8 | -73.8 | 0 | 0 | 0 | 108.4 | | |
| 401 | I | 30.3 | Very low | 27.9 | Very low | 114 Ų | 114 | 154.7 Ų | 154.7 | 59% | 0.585 | 79% | 0.785 | S | S | * | * | | | trans | -124.3 | 101.9 | 156 | -66.5 | 179.7 | 0 | 0 | 0 | 107.6 | Y399 Q403 | Y399-I401 HydrophobicContact CD1-CD1 3.79Å; Y399-I401 HydrophobicContact CD1-CG1 4.03Å; Y399-I401 HydrophobicContact CE1-CD1 3.76Å; Y399-I401 HydrophobicContact CE1-CG1 4.38Å; Y399-I401 PolarHBondContact O-N 3.26Å; I401-Q403 HydrophobicContact CG2-CG 4.19Å; I401-Q403 PolarHBondContact O-N 3.41Å |
| 402 | N | 26.5 | Very low | 27.7 | Very low | 142 Ų | 142 | 155 Ų | 155 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | trans | -66.8 | 112.5 | 160.3 | -72.1 | -41.6 | 0 | 0 | 0 | 108.4 | | |
| 403 | Q | 28.3 | Very low | 27.7 | Very low | 157 Ų | 157 | 151.2 Ų | 151.2 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | trans | -130.4 | 100.5 | 152.1 | -79 | -160 | 27.3 | 0 | 0 | 109.1 | I401 L405 | I401-Q403 HydrophobicContact CG2-CG 4.19Å; I401-Q403 PolarHBondContact O-N 3.41Å; Q403-L405 PolarHBondContact O-N 3.2Å |
| 404 | N | 26.2 | Very low | 27.7 | Very low | 156 Ų | 156 | 150.2 Ų | 150.2 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | trans | -60.8 | 106.3 | 157.7 | -77.1 | -41.8 | 0 | 0 | 0 | 107.9 | | |
| 405 | L | 27.4 | Very low | 27.8 | Very low | 139 Ų | 139 | 148.5 Ų | 148.5 | 73% | 0.728 | 77% | 0.772 | S | S | * | * | | | trans | -111.8 | 84.8 | 164.7 | -136.2 | 83.1 | 0 | 0 | 0 | 108.8 | Q403 K407 | Q403-L405 PolarHBondContact O-N 3.2Å; L405-K407 PolarHBondContact O-N 2.99Å |
| 406 | T | 25.1 | Very low | 27.8 | Very low | 135 Ų | 135 | 149 Ų | 149 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | | | trans | -74.4 | 97.5 | 165.5 | -15.2 | 0 | 0 | 0 | 0 | 107.7 | | |
| 407 | K | 28.9 | Very low | 27.8 | Very low | 180 Ų | 180 | 150.2 Ų | 150.2 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | | | trans | -137.7 | 107.2 | 159.9 | -76.1 | -167.5 | 177.9 | -178.3 | 0 | 109.5 | L405 | L405-K407 PolarHBondContact O-N 2.99Š|
| 408 | Q | 22 | Very low | 27.9 | Very low | 187 Ų | 187 | 150.1 Ų | 150.1 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | trans | -51.1 | 131.2 | 151.5 | -74.5 | 171.5 | -30.2 | 0 | 0 | 108.3 | | |
| 409 | D | 30.6 | Very low | 28 | Very low | 155 Ų | 155 | 150.8 Ų | 150.8 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | | | trans | -158.2 | 130.8 | 141.9 | -95.1 | -34.6 | 0 | 0 | 0 | 110.4 | | |
| 410 | N | 26.9 | Very low | 28.1 | Very low | 153 Ų | 153 | 143.3 Ų | 143.3 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -52.1 | 138 | 170.2 | -71.9 | -51.9 | 0 | 0 | 0 | 111.1 | | |
| 411 | C | 26.2 | Very low | 28.3 | Very low | 123 Ų | 123 | 147.1 Ų | 147.1 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | | | | 170.9 | 128.8 | 118.3 | -86.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 412 | K | 23.9 | Very low | 28.5 | Very low | 196 Ų | 196 | 149.8 Ų | 149.8 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | | | trans | -10.4 | 125.9 | 159.6 | -68.4 | 169.3 | 175.2 | 176.7 | 0 | 116.9 | | |
| 413 | S | 28.5 | Very low | 29 | Very low | 106 Ų | 106 | 148 Ų | 148 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | | | trans | -137 | 115.3 | 135.5 | -77.1 | 0 | 0 | 0 | 0 | 108 | I415 | S413-I415 PolarHBondContact O-N 2.9Å; S413-I415 VanDerWaalsContact O-N 3.11Å |
| 414 | P | 30.1 | Very low | 29.2 | Very low | 119 Ų | 119 | 146.2 Ų | 146.2 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -71.4 | 103.9 | 173.4 | 27.9 | -28.6 | 0 | 0 | 0 | 107.8 | T416 | P414-T416 PolarHBondContact O-N 3.4Š|
| 415 | I | 31.8 | Very low | 29.5 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | -74.8 | 110.1 | 172.7 | -55.5 | 173.9 | 0 | 0 | 0 | 106.2 | S413 E417 | S413-I415 PolarHBondContact O-N 2.9Å; S413-I415 VanDerWaalsContact O-N 3.11Å; I415-E417 PolarHBondContact O-N 3.37Å; I415-E417 VanDerWaalsContact O-N 3.12Å |
| 416 | T | 28.8 | Very low | 29.8 | Very low | 118 Ų | 118 | 150.5 Ų | 150.5 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | | | trans | -57.9 | 110.6 | 173.5 | -45 | 0 | 0 | 0 | 0 | 108.7 | P414 T418 | P414-T416 PolarHBondContact O-N 3.4Å; T416-T418 VanDerWaalsContact C-N 3.33Å; T416-T418 PolarHBondContact O-N 3.1Å |
| 417 | E | 31.5 | Very low | 30.4 | Very low | 178 Ų | 178 | 152.9 Ų | 152.9 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | | | trans | -63.3 | 96.9 | 169.4 | -71.6 | -176.2 | 171.7 | 0 | 0 | 108.2 | I415 N419 | I415-E417 PolarHBondContact O-N 3.37Å; I415-E417 VanDerWaalsContact O-N 3.12Å; E417-N419 PolarHBondContact O-N 2.98Å |
| 418 | T | 30.9 | Very low | 30.9 | Very low | 128 Ų | 128 | 154 Ų | 154 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | -71.4 | 116.5 | 166.8 | 37.9 | 0 | 0 | 0 | 0 | 106.8 | T416 G420 | T416-T418 VanDerWaalsContact C-N 3.33Å; T416-T418 PolarHBondContact O-N 3.1Å; T418-G420 PolarHBondContact O-N 2.97Å |
| 419 | N | 29.8 | Very low | 31.6 | Very low | 157 Ų | 157 | 151.4 Ų | 151.4 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | | | trans | -59.6 | 72 | 170.9 | -83.6 | -45.4 | 0 | 0 | 0 | 110.7 | E417 R421 | E417-N419 PolarHBondContact O-N 2.98Å; N419-R421 VanDerWaalsContact C-N 3.28Å; N419-R421 PolarHBondContact O-N 3.25Å |
| 420 | G | 29.8 | Very low | 31.8 | Very low | 52 Ų | 52 | 152.6 Ų | 152.6 | 54% | 0.536 | 79% | 0.792 | S | S | . | * | | | trans | -73.7 | 84.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | T418 H422 | T418-G420 PolarHBondContact O-N 2.97Å; G420-H422 PolarHBondContact O-CD2 3.15Å; G420-H422 PolarHBondContact O-N 3.4Å |
| 421 | R | 30.6 | Very low | 32.2 | Very low | 241 Ų | 241 | 149 Ų | 149 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | | | trans | -61 | 90 | 162.7 | -75.7 | -177.3 | 179.3 | 172 | 0.5 | 107.3 | N419 S423 | N419-R421 VanDerWaalsContact C-N 3.28Å; N419-R421 PolarHBondContact O-N 3.25Å; R421-S423 PolarHBondContact O-N 3Å |
| 422 | H | 35.2 | Very low | 33.1 | Very low | 170 Ų | 170 | 148.9 Ų | 148.9 | 79% | 0.787 | 78% | 0.776 | S | S | * | * | | | trans | -64.2 | 96.1 | 164.3 | -70.4 | -71.3 | 0 | 0 | 0 | 106.6 | G420 T424 | G420-H422 PolarHBondContact O-CD2 3.15Å; G420-H422 PolarHBondContact O-N 3.4Å; H422-T424 PolarHBondContact O-N 2.76Å |
| 423 | S | 37.2 | Very low | 33.7 | Very low | 103 Ų | 103 | 150.1 Ų | 150.1 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | | | trans | -62.7 | 89 | 164.3 | 177.9 | 0 | 0 | 0 | 0 | 106.7 | R421 Q425 | R421-S423 PolarHBondContact O-N 3Å; S423-Q425 PolarHBondContact O-N 2.84Å |
| 424 | T | 31.5 | Very low | 33.8 | Very low | 120 Ų | 120 | 147 Ų | 147 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | | | trans | -71.4 | 82.3 | 167.9 | -49.2 | 0 | 0 | 0 | 0 | 106.3 | H422 R426 | H422-T424 PolarHBondContact O-N 2.76Å; T424-R426 PolarHBondContact O-N 2.85Å |
| 425 | Q | 32.5 | Very low | 34.2 | Very low | 160 Ų | 160 | 147.4 Ų | 147.4 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | trans | -58.4 | 96.6 | 161.1 | -91 | -175.1 | -18.2 | 0 | 0 | 106.7 | S423 K427 | S423-Q425 PolarHBondContact O-N 2.84Å; Q425-K427 VanDerWaalsContact C-N 3.25Å; Q425-K427 PolarHBondContact O-N 3.37Å |
| 426 | R | 34.3 | Very low | 34.3 | Very low | 226 Ų | 226 | 147.3 Ų | 147.3 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | | | trans | -60.6 | 97.9 | 160 | -95.1 | -177.7 | 177.4 | 165.7 | -0.7 | 105.9 | T424 F428 | T424-R426 PolarHBondContact O-N 2.85Å; R426-F428 PolarHBondContact O-N 3.25Å; R426-F428 VanDerWaalsContact O-N 3.14Å |
| 427 | K | 37.1 | Very low | 34.6 | Very low | 184 Ų | 184 | 146.4 Ų | 146.4 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | | | trans | -58.1 | 117.3 | 165 | -70.4 | -174.9 | 178.2 | -177.7 | 0 | 106.1 | Q425 T429 | Q425-K427 VanDerWaalsContact C-N 3.25Å; Q425-K427 PolarHBondContact O-N 3.37Å; K427-T429 PolarHBondContact O-N 2.96Å |
| 428 | F | 39.6 | Very low | 34.7 | Very low | 203 Ų | 203 | 143.8 Ų | 143.8 | 89% | 0.89 | 76% | 0.757 | S | S | * | * | | | trans | -54.2 | 112.9 | 169.2 | -72.2 | -90.6 | 0 | 0 | 0 | 107 | R426 E430 | R426-F428 PolarHBondContact O-N 3.25Å; R426-F428 VanDerWaalsContact O-N 3.14Å; F428-E430 PolarHBondContact O-N 3.49Å |
| 429 | T | 37 | Very low | 34.8 | Very low | 134 Ų | 134 | 146.1 Ų | 146.1 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | | | trans | -60.2 | 127.2 | 168.2 | 43.7 | 0 | 0 | 0 | 0 | 107.3 | K427 S431 | K427-T429 PolarHBondContact O-N 2.96Å; T429-S431 PolarHBondContact O-N 3.2Å |
| 430 | E | 34.6 | Very low | 34.8 | Very low | 180 Ų | 180 | 146.9 Ų | 146.9 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | | | trans | -44.7 | 137.5 | 177.7 | -74.8 | 171.8 | 143.6 | 0 | 0 | 111.2 | F428 | F428-E430 PolarHBondContact O-N 3.49Š|
| 431 | S | 35.6 | Very low | 34.8 | Very low | 77 Ų | 77 | 149.1 Ų | 149.1 | 54% | 0.538 | 77% | 0.772 | S | S | . | * | | | trans | -54.2 | 136.4 | 176.7 | -170.1 | 0 | 0 | 0 | 0 | 109.8 | T429 W433 G434 | T429-S431 PolarHBondContact O-N 3.2Å; S431-W433 PolarHBondContact O-N 3.4Å; S431-G434 PolarHBondContact O-N 2.92Å; S431-G434 VanDerWaalsContact O-N 3.1Å |
| 432 | P | 44.1 | Very low | 34.8 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -5.7 | -178 | 21.9 | -31.9 | 0 | 0 | 0 | 114.4 | | |
| 433 | W | 36.8 | Very low | 34.6 | Very low | 221 Ų | 221 | 147.7 Ų | 147.7 | 84% | 0.837 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 1.9 | 179.4 | -58.5 | 104.6 | 0 | 0 | 0 | 114.6 | S431 | S431-W433 PolarHBondContact O-N 3.4Š|
| 434 | G | 31.5 | Very low | 34.3 | Very low | 42 Ų | 42 | 151.1 Ų | 151.1 | 43% | 0.433 | 78% | 0.779 | S | S | . | * | | | trans | 63.4 | 169.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S431 I436 | S431-G434 PolarHBondContact O-N 2.92Å; S431-G434 VanDerWaalsContact O-N 3.1Å; G434-I436 PolarHBondContact O-N 3.35Å |
| 435 | P | 38.2 | Very low | 34.1 | Very low | 127 Ų | 127 | 150.5 Ų | 150.5 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | trans | -70.3 | 116.3 | 178 | 26 | -31.1 | 0 | 0 | 0 | 110.7 | S437 | P435-S437 PolarHBondContact O-N 2.96Å; P435-S437 VanDerWaalsContact O-N 3.07Å |
| 436 | I | 33.9 | Very low | 34 | Very low | 151 Ų | 151 | 151.3 Ų | 151.3 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | | | trans | -70.1 | 101.4 | 171.6 | -60.6 | 168.7 | 0 | 0 | 0 | 107.9 | G434 V438 | G434-I436 PolarHBondContact O-N 3.35Å; I436-V438 PolarHBondContact O-N 3.49Å |
| 437 | S | 35.9 | Very low | 33.8 | Very low | 100 Ų | 100 | 148.8 Ų | 148.8 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | | | trans | -75.3 | 112.8 | 170.7 | 69.8 | 0 | 0 | 0 | 0 | 109.6 | P435 Q439 | P435-S437 PolarHBondContact O-N 2.96Å; P435-S437 VanDerWaalsContact O-N 3.07Å; S437-Q439 PolarHBondContact O-N 2.92Å; S437-Q439 VanDerWaalsContact O-N 3.13Å |
| 438 | V | 33.1 | Very low | 33.2 | Very low | 123 Ų | 123 | 150.7 Ų | 150.7 | 75% | 0.745 | 78% | 0.783 | S | S | * | * | | | trans | -78.1 | 94.2 | 172.9 | -176.1 | 0 | 0 | 0 | 0 | 107.2 | I436 Q440 | I436-V438 PolarHBondContact O-N 3.49Å; V438-Q440 PolarHBondContact O-N 3.44Å |
| 439 | Q | 32.6 | Very low | 32.7 | Very low | 177 Ų | 177 | 148.5 Ų | 148.5 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | | | trans | -63.4 | 105.9 | 168 | -77.5 | -174.1 | -4.5 | 0 | 0 | 107.9 | S437 A441 | S437-Q439 PolarHBondContact O-N 2.92Å; S437-Q439 VanDerWaalsContact O-N 3.13Å; Q439-A441 PolarHBondContact O-N 2.94Å |
| 440 | Q | 29.6 | Very low | 32.3 | Very low | 172 Ų | 172 | 151 Ų | 151 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | -59.4 | 105.5 | 167.7 | -72.1 | -176.8 | -3.7 | 0 | 0 | 107.4 | V438 K442 | V438-Q440 PolarHBondContact O-N 3.44Å; Q440-K442 VanDerWaalsContact C-N 3.25Å; Q440-K442 PolarHBondContact O-N 3.44Å |
| 441 | A | 29.7 | Very low | 31.6 | Very low | 100 Ų | 100 | 148.8 Ų | 148.8 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | | | trans | -60.3 | 92.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | Q439 K443 | Q439-A441 PolarHBondContact O-N 2.94Å; A441-K443 PolarHBondContact O-N 3.45Å; A441-K443 VanDerWaalsContact O-N 3.14Å |
| 442 | K | 31.2 | Very low | 31.5 | Very low | 187 Ų | 187 | 150.7 Ų | 150.7 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | | | trans | -59.5 | 118.2 | 169.9 | -78.6 | -176.7 | 176.9 | 178.9 | 0 | 106.9 | Q440 L444 | Q440-K442 VanDerWaalsContact C-N 3.25Å; Q440-K442 PolarHBondContact O-N 3.44Å; K442-L444 PolarHBondContact O-N 2.91Å |
| 443 | K | 30 | Very low | 30.8 | Very low | 193 Ų | 193 | 154.6 Ų | 154.6 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | | | trans | -44.4 | 100.5 | 167.5 | -72.7 | 172.6 | 173.3 | 176.9 | 0 | 109.8 | A441 T445 | A441-K443 PolarHBondContact O-N 3.45Å; A441-K443 VanDerWaalsContact O-N 3.14Å; K443-T445 VanDerWaalsContact C-N 3.33Å; K443-T445 PolarHBondContact O-N 3.17Å |
| 444 | L | 30.7 | Very low | 30.2 | Very low | 175 Ų | 175 | 150.9 Ų | 150.9 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | | | trans | -91.7 | 83.7 | 158 | -89.4 | 159.5 | 0 | 0 | 0 | 107 | K442 | K442-L444 PolarHBondContact O-N 2.91Š|
| 445 | T | 29 | Very low | 30 | Very low | 107 Ų | 107 | 157.2 Ų | 157.2 | 66% | 0.656 | 83% | 0.825 | S | S | * | * | | | trans | -66 | 127.6 | 164.4 | 20.4 | 0 | 0 | 0 | 0 | 110 | K443 | K443-T445 VanDerWaalsContact C-N 3.33Å; K443-T445 PolarHBondContact O-N 3.17Å |
| 446 | K | 29.7 | Very low | 29.4 | Very low | 178 Ų | 178 | 154.1 Ų | 154.1 | 77% | 0.774 | 82% | 0.817 | S | S | * | * | | | trans | 59.5 | 106.5 | 147.1 | -60.1 | -177.7 | 178.3 | -175.2 | 0 | 117.3 | | |
| 447 | D | 30 | Very low | 29 | Very low | 172 Ų | 172 | 155.5 Ų | 155.5 | 92% | 0.92 | 82% | 0.82 | S | S | * | * | | | trans | -150.3 | 75 | 134.2 | -85.7 | -32.6 | 0 | 0 | 0 | 107.7 | | |
| 448 | Y | 24.8 | Very low | 28.4 | Very low | 225 Ų | 225 | 156.9 Ų | 156.9 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | | | trans | -80.8 | 102.3 | 156.4 | -94.7 | -99.9 | 0 | 0 | 0 | 105.3 | | |
| 449 | D | 28.2 | Very low | 28 | Very low | 156 Ų | 156 | 157.2 Ų | 157.2 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | | | trans | 164.2 | 75.5 | 149.1 | -84 | -21.4 | 0 | 0 | 0 | 109.8 | | |
| 450 | Q | 28.3 | Very low | 27.7 | Very low | 188 Ų | 188 | 155.5 Ų | 155.5 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | | | trans | -162.3 | 89.7 | 149.7 | -113.2 | 164.9 | 23.1 | 0 | 0 | 108.4 | P452 | Q450-P452 WeakPolarHBondContact O-CD 3.45Š|
| 451 | C | 21.6 | Very low | 27.5 | Very low | 132 Ų | 132 | 154.3 Ų | 154.3 | 89% | 0.892 | 81% | 0.813 | S | S | * | * | | | trans | -77.7 | 108.3 | 157.5 | -84.1 | 0 | 0 | 0 | 0 | 107.6 | K453 | C451-K453 PolarHBondContact O-N 2.87Š|
| 452 | P | 33.6 | Very low | 27.4 | Very low | 118 Ų | 118 | 161.3 Ų | 161.3 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 127.1 | 167.7 | -4 | 24.6 | 0 | 0 | 0 | 107.6 | Q450 | Q450-P452 WeakPolarHBondContact O-CD 3.45Š|
| 453 | K | 28 | Very low | 27.1 | Very low | 202 Ų | 202 | 162.4 Ų | 162.4 | 88% | 0.878 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 138.9 | 174.1 | -74.4 | 171.4 | 175.7 | 174.2 | 0 | 111.3 | C451 L455 | C451-K453 PolarHBondContact O-N 2.87Å; K453-L455 PolarHBondContact O-N 3.04Å |
| 454 | V | 24.2 | Very low | 27 | Very low | 143 Ų | 143 | 157.6 Ų | 157.6 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -47 | 116.2 | 168.9 | 179.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 455 | L | 28.7 | Very low | 27 | Very low | 175 Ų | 175 | 156.6 Ų | 156.6 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | | | trans | -144 | 106.3 | 157.8 | -134.6 | 81.6 | 0 | 0 | 0 | 103.7 | K453 | K453-L455 PolarHBondContact O-N 3.04Š|
| 456 | G | 23.9 | Very low | 26.9 | Very low | 63 Ų | 63 | 160.3 Ų | 160.3 | 65% | 0.649 | 82% | 0.819 | S | S | * | * | | | | 100.4 | 115.2 | 79.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 457 | Q | 26.6 | Very low | 26.8 | Very low | 180 Ų | 180 | 158.5 Ų | 158.5 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | | | trans | 80.9 | 114.4 | 150.3 | -61.6 | -178 | -23.1 | 0 | 0 | 120.4 | | |
| 458 | N | 22.7 | Very low | 26.8 | Very low | 129 Ų | 129 | 157.9 Ų | 157.9 | 69% | 0.69 | 81% | 0.812 | S | S | * | * | | | | 69.4 | 109.5 | 124.4 | -73.6 | -15.1 | 0 | 0 | 0 | 120.5 | | |
| 459 | N | 25 | Very low | 27.2 | Very low | 130 Ų | 130 | 151.7 Ų | 151.7 | 70% | 0.695 | 80% | 0.797 | S | S | * | * | | | | 71.2 | 123.1 | 121.9 | -66.6 | -13.8 | 0 | 0 | 0 | 119.4 | | |
| 460 | N | 26.1 | Very low | 27.2 | Very low | 140 Ų | 140 | 150.3 Ų | 150.3 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | | | trans | 100.6 | 124.8 | 144.9 | -59.6 | -25.7 | 0 | 0 | 0 | 117.2 | | |
| 461 | N | 25.9 | Very low | 27.3 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | 78.1 | 81.2 | 155 | -59.6 | -23.2 | 0 | 0 | 0 | 117.2 | | |
| 462 | R | 26.3 | Very low | 27.8 | Very low | 246 Ų | 246 | 147.7 Ų | 147.7 | 93% | 0.928 | 77% | 0.773 | S | S | * | * | | | trans | -150.2 | 95.2 | 130.8 | -112.1 | 167.4 | -170.4 | 178.4 | 2.9 | 111.1 | S464 | R462-S464 PolarHBondContact O-N 3.09Š|
| 463 | K | 25.5 | Very low | 27.6 | Very low | 211 Ų | 211 | 151.7 Ų | 151.7 | 92% | 0.917 | 77% | 0.774 | S | S | * | * | | | trans | -59.5 | 116.9 | 158.4 | -67.6 | 174.7 | 177.4 | 177.2 | 0 | 107.6 | | |
| 464 | S | 28.7 | Very low | 27.8 | Very low | 91 Ų | 91 | 151 Ų | 151 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | | | trans | -159.6 | 100.1 | 162.7 | 168.8 | 0 | 0 | 0 | 0 | 108.8 | R462 | R462-S464 PolarHBondContact O-N 3.09Š|
| 465 | N | 29.7 | Very low | 28.2 | Very low | 154 Ų | 154 | 152.8 Ų | 152.8 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | | | trans | 53.9 | 72 | 143.3 | -52 | -18.8 | 0 | 0 | 0 | 115.7 | L467 | N465-L467 PolarHBondContact O-N 2.8Å; N465-L467 VanDerWaalsContact O-N 3.12Å |
| 466 | H | 27.7 | Very low | 28.2 | Very low | 186 Ų | 186 | 156.5 Ų | 156.5 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | | | trans | -68.1 | 110.8 | 159.8 | -118.2 | -70.5 | 0 | 0 | 0 | 108.4 | I468 | H466-I468 PolarHBondContact O-N 3.13Å; H466-I468 VanDerWaalsContact O-N 3.09Å |
| 467 | L | 27.8 | Very low | 28.5 | Very low | 140 Ų | 140 | 161 Ų | 161 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | | | trans | -29.5 | 108.5 | 162.6 | -142.5 | 76.8 | 0 | 0 | 0 | 110.1 | N465 T469 | N465-L467 PolarHBondContact O-N 2.8Å; N465-L467 VanDerWaalsContact O-N 3.12Å; L467-T469 PolarHBondContact O-N 2.8Å |
| 468 | I | 30 | Very low | 28.6 | Very low | 159 Ų | 159 | 161.3 Ų | 161.3 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | | | trans | -70.8 | 89.7 | 167.2 | -62.4 | 171.4 | 0 | 0 | 0 | 105 | H466 N470 | H466-I468 PolarHBondContact O-N 3.13Å; H466-I468 VanDerWaalsContact O-N 3.09Å; I468-N470 PolarHBondContact O-N 3.33Å |
| 469 | T | 31.7 | Very low | 28.8 | Very low | 94 Ų | 94 | 160.7 Ų | 160.7 | 58% | 0.577 | 78% | 0.782 | S | S | * | * | | | trans | -63.9 | 118.4 | 166.3 | 14.9 | 0 | 0 | 0 | 0 | 106.4 | L467 D471 | L467-T469 PolarHBondContact O-N 2.8Å; T469-D471 PolarHBondContact O-N 2.86Å |
| 470 | N | 29.1 | Very low | 28.9 | Very low | 127 Ų | 127 | 160.5 Ų | 160.5 | 68% | 0.679 | 79% | 0.791 | S | S | * | * | | | trans | -77.7 | 70 | -171.5 | -140.3 | -10.3 | 0 | 0 | 0 | 108.8 | I468 N472 | I468-N470 PolarHBondContact O-N 3.33Å; N470-N472 PolarHBondContact O-N 2.85Å |
| 471 | D | 30.8 | Very low | 28.9 | Very low | 130 Ų | 130 | 164 Ų | 164 | 70% | 0.695 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 12.8 | -174 | -84.4 | -12.7 | 0 | 0 | 0 | 114.6 | T469 | T469-D471 PolarHBondContact O-N 2.86Š|
| 472 | N | 31.7 | Very low | 28.9 | Very low | 135 Ų | 135 | 162.4 Ų | 162.4 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 0.9 | -172.3 | -93.4 | -13.7 | 0 | 0 | 0 | 116.5 | N470 | N470-N472 PolarHBondContact O-N 2.85Š|
| 473 | Y | 28.9 | Very low | 28.9 | Very low | 202 Ų | 202 | 155.8 Ų | 155.8 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -93.7 | -11.9 | 177.4 | -80 | -80.2 | 0 | 0 | 0 | 115.4 | | |
| 474 | F | 32.5 | Very low | 29 | Very low | 187 Ų | 187 | 154.1 Ų | 154.1 | 82% | 0.82 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -96 | -7.6 | -176.7 | -109.5 | -83.3 | 0 | 0 | 0 | 115.8 | | |
| 475 | K | 33.1 | Very low | 28.9 | Very low | 181 Ų | 181 | 153.8 Ų | 153.8 | 79% | 0.787 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -86.2 | -8 | -178.9 | -82.1 | -173.6 | 178.1 | 175.8 | 0 | 115.4 | | |
| 476 | W | 28.6 | Very low | 28.8 | Very low | 254 Ų | 254 | 153.3 Ų | 153.3 | 96% | 0.962 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -6.6 | -176.1 | -122 | 40.8 | 0 | 0 | 0 | 115.7 | | |
| 477 | L | 30.6 | Very low | 28.8 | Very low | 157 Ų | 157 | 150.8 Ų | 150.8 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | 3.3 | -177.1 | -89.4 | 162 | 0 | 0 | 0 | 115.8 | | |
| 478 | K | 28 | Very low | 28.8 | Very low | 187 Ų | 187 | 150.9 Ų | 150.9 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -133.5 | 67.1 | -178.4 | -70.7 | -172.9 | 179.1 | 179.6 | 0 | 113.1 | | |
| 479 | S | 26.8 | Very low | 28.7 | Very low | 115 Ų | 115 | 151.5 Ų | 151.5 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -169.1 | 75.3 | 160.5 | -78 | 0 | 0 | 0 | 0 | 111.8 | | |
| 480 | S | 27.4 | Very low | 28.6 | Very low | 126 Ų | 126 | 153.7 Ų | 153.7 | 88% | 0.881 | 79% | 0.79 | S | S | * | * | | | trans | -163.2 | 62.5 | 156.7 | -79 | 0 | 0 | 0 | 0 | 109.4 | | |
| 481 | K | 25.8 | Very low | 28.5 | Very low | 214 Ų | 214 | 157.2 Ų | 157.2 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | | | trans | -106.6 | 68.4 | 159.6 | -137.2 | 176.9 | -170.8 | 176.1 | 0 | 105.4 | S483 | K481-S483 PolarHBondContact O-N 3.46Š|
| 482 | S | 27.1 | Very low | 28.5 | Very low | 114 Ų | 114 | 159.3 Ų | 159.3 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | | | trans | -74.4 | 115.4 | 166.6 | 60.6 | 0 | 0 | 0 | 0 | 106.4 | M484 | S482-M484 PolarHBondContact O-N 2.78Š|
| 483 | S | 25.9 | Very low | 28.1 | Very low | 108 Ų | 108 | 160.1 Ų | 160.1 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | | | trans | -58.9 | 121.2 | 170.2 | 60.5 | 0 | 0 | 0 | 0 | 107.6 | K481 S485 | K481-S483 PolarHBondContact O-N 3.46Å; S483-S485 VanDerWaalsContact C-N 3.35Å; S483-S485 PolarHBondContact O-N 3.03Å |
| 484 | M | 27.4 | Very low | 28 | Very low | 176 Ų | 176 | 159 Ų | 159 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | | | trans | -59 | 104.8 | 159.9 | -74.4 | -169.3 | 71.5 | 0 | 0 | 106.9 | S482 N486 | S482-M484 PolarHBondContact O-N 2.78Å; M484-N486 PolarHBondContact O-N 3.1Å |
| 485 | S | 26.4 | Very low | 27.7 | Very low | 83 Ų | 83 | 154 Ų | 154 | 58% | 0.58 | 81% | 0.805 | S | S | * | * | | | trans | -69.6 | 116.6 | 166.7 | 66.1 | 0 | 0 | 0 | 0 | 106.5 | S483 N487 | S483-S485 VanDerWaalsContact C-N 3.35Å; S483-S485 PolarHBondContact O-N 3.03Å; S485-N487 PolarHBondContact O-N 3.32Å |
| 486 | N | 26.8 | Very low | 27.3 | Very low | 144 Ų | 144 | 153 Ų | 153 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | | | trans | -60.4 | 91.7 | 164.9 | -71.6 | -21.8 | 0 | 0 | 0 | 107.3 | M484 N488 | M484-N486 PolarHBondContact O-N 3.1Å; N486-N488 VanDerWaalsContact C-N 3.35Å; N486-N488 PolarHBondContact O-N 3.49Å |
| 487 | N | 28 | Very low | 27.3 | Very low | 134 Ų | 134 | 150.6 Ų | 150.6 | 72% | 0.717 | 80% | 0.799 | S | S | * | * | | | trans | -68.4 | 103.7 | 163.7 | -77.7 | -13.2 | 0 | 0 | 0 | 105.9 | S485 L489 | S485-N487 PolarHBondContact O-N 3.32Å; N487-L489 VanDerWaalsContact C-N 3.32Å; N487-L489 PolarHBondContact O-N 2.97Å |
| 488 | N | 27.4 | Very low | 27 | Very low | 141 Ų | 141 | 151.6 Ų | 151.6 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | | | trans | -53.8 | 98.5 | 164.1 | -68.2 | -39.9 | 0 | 0 | 0 | 107.5 | N486 D490 | N486-N488 VanDerWaalsContact C-N 3.35Å; N486-N488 PolarHBondContact O-N 3.49Å; N488-D490 VanDerWaalsContact C-N 3.33Å; N488-D490 PolarHBondContact O-N 3.32Å; N488-D490 VanDerWaalsContact O-N 3.11Å |
| 489 | L | 29.1 | Very low | 26.9 | Very low | 173 Ų | 173 | 148.3 Ų | 148.3 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | | | trans | -74.9 | 99.2 | 164.6 | -109.8 | 151.9 | 0 | 0 | 0 | 105.8 | N487 | N487-L489 VanDerWaalsContact C-N 3.32Å; N487-L489 PolarHBondContact O-N 2.97Å |
| 490 | D | 29 | Very low | 26.9 | Very low | 139 Ų | 139 | 149.6 Ų | 149.6 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | | | trans | -50.2 | 140 | 178.5 | -83.3 | -47.4 | 0 | 0 | 0 | 111.8 | N488 L492 | N488-D490 VanDerWaalsContact C-N 3.33Å; N488-D490 PolarHBondContact O-N 3.32Å; N488-D490 VanDerWaalsContact O-N 3.11Å; D490-L492 PolarHBondContact O-N 2.89Å |
| 491 | K | 27.4 | Very low | 26.8 | Very low | 201 Ų | 201 | 151.6 Ų | 151.6 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | -46.3 | 95.3 | 170.5 | -68.7 | 166.8 | 173.4 | 175.4 | 0 | 111.1 | N493 | K491-N493 VanDerWaalsContact C-N 3.31Å; K491-N493 PolarHBondContact O-N 3.46Å |
| 492 | L | 30.4 | Very low | 26.9 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | | | trans | -80.3 | 92.3 | 155.1 | -80.7 | 172 | 0 | 0 | 0 | 107.7 | D490 | D490-L492 PolarHBondContact O-N 2.89Š|
| 493 | N | 24 | Very low | 27 | Very low | 152 Ų | 152 | 147 Ų | 147 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | trans | -94.2 | 96.1 | 177 | -163.5 | 33.5 | 0 | 0 | 0 | 106.2 | K491 | K491-N493 VanDerWaalsContact C-N 3.31Å; K491-N493 PolarHBondContact O-N 3.46Å |
| 494 | E | 27.1 | Very low | 27 | Very low | 179 Ų | 179 | 149.8 Ų | 149.8 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | | | trans | -146.6 | 112.3 | 170.1 | -128.8 | 169.2 | -162.1 | 0 | 0 | 114.2 | | |
| 495 | S | 26.5 | Very low | 27.1 | Very low | 83 Ų | 83 | 150.3 Ų | 150.3 | 58% | 0.58 | 78% | 0.782 | S | S | * | * | | | trans | 52.2 | 101.8 | 149.7 | 67.6 | 0 | 0 | 0 | 0 | 119.8 | Y497 | S495-Y497 PolarHBondContact O-N 3.43Å; S495-Y497 VanDerWaalsContact O-N 3.15Å |
| 496 | I | 24.2 | Very low | 27.1 | Very low | 160 Ų | 160 | 156 Ų | 156 | 82% | 0.821 | 80% | 0.797 | S | S | * | * | | | trans | -55.4 | 102 | 147.4 | -59.6 | 161.4 | 0 | 0 | 0 | 108.4 | | |
| 497 | Y | 27.9 | Very low | 27.2 | Very low | 203 Ų | 203 | 153.8 Ų | 153.8 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | | | trans | -111.3 | 103.6 | 157.3 | -84.5 | -76.2 | 0 | 0 | 0 | 108.7 | S495 T499 | S495-Y497 PolarHBondContact O-N 3.43Å; S495-Y497 VanDerWaalsContact O-N 3.15Å; Y497-T499 PolarHBondContact O-N 3.23Å |
| 498 | Q | 24 | Very low | 27.2 | Very low | 177 Ų | 177 | 154.7 Ų | 154.7 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | | | trans | -60.5 | 123.8 | 160.3 | -74.4 | 170 | -14.8 | 0 | 0 | 108.8 | | |
| 499 | T | 26.8 | Very low | 27.3 | Very low | 118 Ų | 118 | 155.8 Ų | 155.8 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | | | trans | -154.4 | 104.6 | 153.6 | 10.9 | 0 | 0 | 0 | 0 | 110.1 | Y497 | Y497-T499 PolarHBondContact O-N 3.23Š|
| 500 | N | 26.8 | Very low | 27.3 | Very low | 143 Ų | 143 | 152 Ų | 152 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | | | trans | 52.2 | 117 | 137 | -57.2 | -18.2 | 0 | 0 | 0 | 120.5 | V502 | N500-V502 PolarHBondContact O-N 2.87Š|
| 501 | D | 24.2 | Very low | 27.1 | Very low | 167 Ų | 167 | 152.4 Ų | 152.4 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | | | trans | -34.3 | 107.1 | 155.5 | -64.4 | -50 | 0 | 0 | 0 | 114.1 | | |
| 502 | V | 29.9 | Very low | 27.2 | Very low | 120 Ų | 120 | 149.6 Ų | 149.6 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -147.7 | 101.6 | 158.9 | -173.5 | 0 | 0 | 0 | 0 | 111.2 | N500 | N500-V502 PolarHBondContact O-N 2.87Š|
| 503 | T | 27.6 | Very low | 27.1 | Very low | 112 Ų | 112 | 150.9 Ų | 150.9 | 69% | 0.687 | 78% | 0.775 | S | S | * | * | | | trans | 65.5 | 122.8 | 148.1 | 60.6 | 0 | 0 | 0 | 0 | 121.1 | K505 | T503-K505 PolarHBondContact O-N 3.32Š|
| 504 | D | 26.5 | Very low | 27.4 | Very low | 167 Ų | 167 | 153.3 Ų | 153.3 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | | | trans | -44.8 | 91.5 | 160.3 | -60.9 | -54.2 | 0 | 0 | 0 | 113.2 | | |
| 505 | K | 29.4 | Very low | 27.4 | Very low | 187 Ų | 187 | 153.5 Ų | 153.5 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | | | trans | -94.3 | 101.9 | 157.4 | -78 | -173.5 | 178.9 | 177.2 | 0 | 108.5 | T503 S507 | T503-K505 PolarHBondContact O-N 3.32Å; K505-S507 PolarHBondContact O-N 3.49Å |
| 506 | K | 26.7 | Very low | 27.4 | Very low | 202 Ų | 202 | 154.5 Ų | 154.5 | 88% | 0.878 | 78% | 0.78 | S | S | * | * | | | trans | -51.9 | 85.5 | 160.1 | -77.4 | 175.4 | 172.9 | 175.1 | 0 | 109.6 | | |
| 507 | S | 28.7 | Very low | 27.6 | Very low | 98 Ų | 98 | 155 Ų | 155 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | | | trans | -86.4 | 110.1 | 161.2 | 55.4 | 0 | 0 | 0 | 0 | 107.3 | K505 L509 | K505-S507 PolarHBondContact O-N 3.49Å; S507-L509 PolarHBondContact O-N 3.01Å |
| 508 | N | 27.5 | Very low | 27.6 | Very low | 152 Ų | 152 | 152.9 Ų | 152.9 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | | | trans | -51.9 | 109.7 | 168.2 | -68.2 | -38.7 | 0 | 0 | 0 | 108.4 | S510 | N508-S510 VanDerWaalsContact C-N 3.3Å; N508-S510 PolarHBondContact O-N 3.03Å |
| 509 | L | 30.7 | Very low | 27.8 | Very low | 164 Ų | 164 | 150.3 Ų | 150.3 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | | | trans | -68.1 | 94.7 | 168.7 | -76 | 159.7 | 0 | 0 | 0 | 107 | S507 N511 | S507-L509 PolarHBondContact O-N 3.01Å; L509-N511 PolarHBondContact O-N 3.36Å |
| 510 | S | 27.4 | Very low | 27.7 | Very low | 93 Ų | 93 | 151.6 Ų | 151.6 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | | | trans | -59.5 | 116.7 | 163.5 | 46.5 | 0 | 0 | 0 | 0 | 107.7 | N508 E512 | N508-S510 VanDerWaalsContact C-N 3.3Å; N508-S510 PolarHBondContact O-N 3.03Å; S510-E512 PolarHBondContact O-N 3.26Å |
| 511 | N | 26.2 | Very low | 27.8 | Very low | 148 Ų | 148 | 148.8 Ų | 148.8 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | trans | -62.2 | 79.4 | 168.9 | -99.3 | -28.6 | 0 | 0 | 0 | 109.2 | L509 R513 | L509-N511 PolarHBondContact O-N 3.36Å; N511-R513 PolarHBondContact O-N 3.49Å |
| 512 | E | 28.5 | Very low | 28 | Very low | 142 Ų | 142 | 148.4 Ų | 148.4 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | | | trans | -72.9 | 87.4 | 160.4 | -72 | -166.6 | 171.8 | 0 | 0 | 107.3 | S510 Y514 | S510-E512 PolarHBondContact O-N 3.26Å; E512-Y514 VanDerWaalsContact C-N 3.33Å; E512-Y514 WeakPolarHBondContact O-CD2 3.37Å; E512-Y514 PolarHBondContact O-N 3.43Å |
| 513 | R | 29.4 | Very low | 27.7 | Very low | 201 Ų | 201 | 152.2 Ų | 152.2 | 76% | 0.758 | 77% | 0.767 | S | S | * | * | | | trans | -63.4 | 99.5 | 165 | -78 | -176.2 | -165.3 | 165.4 | 5.5 | 107.2 | N511 F515 | N511-R513 PolarHBondContact O-N 3.49Å; R513-F515 PolarHBondContact O-N 2.85Å |
| 514 | Y | 28.7 | Very low | 27.6 | Very low | 204 Ų | 204 | 150 Ų | 150 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | | | trans | -58.1 | 99.6 | 163.2 | -79.7 | -92.1 | 0 | 0 | 0 | 108.5 | E512 S516 | E512-Y514 VanDerWaalsContact C-N 3.33Å; E512-Y514 WeakPolarHBondContact O-CD2 3.37Å; E512-Y514 PolarHBondContact O-N 3.43Å; Y514-S516 VanDerWaalsContact C-N 3.28Å; Y514-S516 PolarHBondContact O-N 3.11Å |
| 515 | F | 27.2 | Very low | 27.5 | Very low | 182 Ų | 182 | 148.4 Ų | 148.4 | 80% | 0.798 | 75% | 0.753 | S | S | * | * | | | trans | -67.5 | 93.7 | 160.8 | -82.3 | -89.7 | 0 | 0 | 0 | 107 | R513 Q517 | R513-F515 PolarHBondContact O-N 2.85Å; F515-Q517 PolarHBondContact O-N 3.01Å |
| 516 | S | 27.8 | Very low | 27.5 | Very low | 104 Ų | 104 | 148 Ų | 148 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | trans | -66.8 | 88.1 | 164.4 | 52.2 | 0 | 0 | 0 | 0 | 107.7 | Y514 L518 | Y514-S516 VanDerWaalsContact C-N 3.28Å; Y514-S516 PolarHBondContact O-N 3.11Å; S516-L518 VanDerWaalsContact C-N 3.32Å; S516-L518 PolarHBondContact O-N 3Å |
| 517 | Q | 28.8 | Very low | 27.4 | Very low | 170 Ų | 170 | 143.7 Ų | 143.7 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | | | trans | -60 | 100.4 | 163.7 | -82.1 | 173 | -8.8 | 0 | 0 | 107.1 | F515 T519 | F515-Q517 PolarHBondContact O-N 3.01Å; Q517-T519 PolarHBondContact O-N 3.28Å; Q517-T519 PolarHBondContact O-OG1 3.01Å |
| 518 | L | 26.7 | Very low | 27.3 | Very low | 159 Ų | 159 | 144.2 Ų | 144.2 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | | | trans | -58.9 | 88 | 167.8 | -80.9 | 160.3 | 0 | 0 | 0 | 107.8 | S516 L520 | S516-L518 VanDerWaalsContact C-N 3.32Å; S516-L518 PolarHBondContact O-N 3Å; L518-L520 PolarHBondContact O-N 3.27Å |
| 519 | T | 28.3 | Very low | 27.3 | Very low | 123 Ų | 123 | 143 Ų | 143 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | | | trans | -73 | 98.5 | 170 | -54.9 | 0 | 0 | 0 | 0 | 106.3 | Q517 P521 | Q517-T519 PolarHBondContact O-N 3.28Å; Q517-T519 PolarHBondContact O-OG1 3.01Å; T519-P521 WeakPolarHBondContact O-CD 3.47Å |
| 520 | L | 24.6 | Very low | 26.9 | Very low | 145 Ų | 145 | 145.1 Ų | 145.1 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | | | trans | -63.2 | 122.6 | 172.5 | -73.3 | 166.2 | 0 | 0 | 0 | 108.1 | L518 I522 | L518-L520 PolarHBondContact O-N 3.27Å; L520-I522 PolarHBondContact O-N 2.7Å |
| 521 | P | 28.7 | Very low | 26.8 | Very low | 84 Ų | 84 | 145 Ų | 145 | 55% | 0.545 | 75% | 0.75 | S | S | . | * | | | trans | -63.3 | 110.3 | 174.6 | 21.8 | -28.9 | 0 | 0 | 0 | 109 | T519 Y523 | T519-P521 WeakPolarHBondContact O-CD 3.47Å; P521-Y523 VanDerWaalsContact C-N 3.32Å; P521-Y523 HydrophobicContact CB-CD2 4.44Å; P521-Y523 HydrophobicContact CB-CE2 4.04Å; P521-Y523 HydrophobicContact CG-CD2 4.48Å; P521-Y523 HydrophobicContact CG-CE2 3.76Å; P521-Y523 VanDerWaalsContact O-CD2 3.3Å; P521-Y523 WeakPolarHBondContact O-CD2 3.43Å; P521-Y523 PolarHBondContact O-N 2.74Å |
| 522 | I | 28.1 | Very low | 26.7 | Very low | 159 Ų | 159 | 147 Ų | 147 | 82% | 0.815 | 76% | 0.755 | S | S | * | * | | | trans | -68.9 | 95.7 | 167.9 | -58.4 | 174.3 | 0 | 0 | 0 | 106.1 | L520 S524 | L520-I522 PolarHBondContact O-N 2.7Å; I522-S524 PolarHBondContact O-N 3.39Å |
| 523 | Y | 24.1 | Very low | 26.6 | Very low | 200 Ų | 200 | 145.2 Ų | 145.2 | 78% | 0.784 | 75% | 0.753 | S | S | * | * | | | trans | -69.4 | 83.9 | 168.5 | -69 | -82.8 | 0 | 0 | 0 | 108.5 | P521 T525 | P521-Y523 VanDerWaalsContact C-N 3.32Å; P521-Y523 HydrophobicContact CB-CD2 4.44Å; P521-Y523 HydrophobicContact CB-CE2 4.04Å; P521-Y523 HydrophobicContact CG-CD2 4.48Å; P521-Y523 HydrophobicContact CG-CE2 3.76Å; P521-Y523 VanDerWaalsContact O-CD2 3.3Å; P521-Y523 WeakPolarHBondContact O-CD2 3.43Å; P521-Y523 PolarHBondContact O-N 2.74Å; Y523-T525 PolarHBondContact O-N 2.83Å |
| 524 | S | 25.4 | Very low | 26.3 | Very low | 67 Ų | 67 | 141.2 Ų | 141.2 | 47% | 0.469 | 75% | 0.751 | S | S | . | * | | | trans | -77.1 | 104.4 | 161.4 | -171.6 | 0 | 0 | 0 | 0 | 107.8 | I522 F526 | I522-S524 PolarHBondContact O-N 3.39Å; S524-F526 PolarHBondContact O-N 3.38Å; S524-F526 WeakPolarHBondContact OG-CD2 3.26Å; S524-F526 WeakPolarHBondContact OG-CE2 3.5Å |
| 525 | T | 24 | Very low | 26.2 | Very low | 133 Ų | 133 | 141.4 Ų | 141.4 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | | | trans | -64.2 | 74.8 | 165 | 31.3 | 0 | 0 | 0 | 0 | 109.6 | Y523 S527 | Y523-T525 PolarHBondContact O-N 2.83Å; T525-S527 PolarHBondContact O-N 2.94Å |
| 526 | F | 29.2 | Very low | 26.2 | Very low | 177 Ų | 177 | 139.5 Ų | 139.5 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | | | trans | -80.7 | 102.3 | 159.3 | -74.4 | -69.4 | 0 | 0 | 0 | 107.2 | S524 S528 | S524-F526 PolarHBondContact O-N 3.38Å; S524-F526 WeakPolarHBondContact OG-CD2 3.26Å; S524-F526 WeakPolarHBondContact OG-CE2 3.5Å; F526-S528 PolarHBondContact O-N 2.96Å |
| 527 | S | 26.1 | Very low | 26 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | | | trans | -48 | 106.2 | 167 | -60 | 0 | 0 | 0 | 0 | 108.9 | T525 T529 | T525-S527 PolarHBondContact O-N 2.94Å; S527-T529 PolarHBondContact O-N 3.41Å |
| 528 | S | 25.1 | Very low | 25.9 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | | | trans | -70.4 | 91 | -176.8 | 72 | 0 | 0 | 0 | 0 | 109.7 | F526 K530 | F526-S528 PolarHBondContact O-N 2.96Å; S528-K530 PolarHBondContact O-N 2.88Å |
| 529 | T | 27.5 | Very low | 25.8 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | | | trans | -72.7 | 111.8 | 154.2 | 39.7 | 0 | 0 | 0 | 0 | 106.7 | S527 S531 | S527-T529 PolarHBondContact O-N 3.41Å; T529-S531 PolarHBondContact O-N 3.47Å |
| 530 | K | 23.8 | Very low | 25.6 | Very low | 208 Ų | 208 | 141.5 Ų | 141.5 | 90% | 0.904 | 75% | 0.752 | S | S | * | * | | | trans | -56.9 | 97.3 | 178.2 | -69.4 | 173.8 | 176.6 | 177 | 0 | 110.1 | S528 | S528-K530 PolarHBondContact O-N 2.88Š|
| 531 | S | 25.3 | Very low | 25.5 | Very low | 92 Ų | 92 | 143 Ų | 143 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | | | trans | -122.8 | 108.2 | 157.3 | 48.1 | 0 | 0 | 0 | 0 | 108.9 | T529 T533 | T529-S531 PolarHBondContact O-N 3.47Å; S531-T533 PolarHBondContact O-N 3.26Å |
| 532 | H | 22.5 | Very low | 25.3 | Very low | 190 Ų | 190 | 146.8 Ų | 146.8 | 88% | 0.88 | 76% | 0.764 | S | S | * | * | | | trans | -59.9 | 100.8 | 167.5 | -102.3 | -77.2 | 0 | 0 | 0 | 108.7 | | |
| 533 | T | 26.6 | Very low | 25.2 | Very low | 104 Ų | 104 | 146.3 Ų | 146.3 | 64% | 0.638 | 76% | 0.763 | S | S | * | * | | | trans | -123.5 | 103.1 | 158.1 | 33.9 | 0 | 0 | 0 | 0 | 107.8 | S531 Y535 | S531-T533 PolarHBondContact O-N 3.26Å; T533-Y535 PolarHBondContact O-N 2.94Å |
| 534 | V | 24.3 | Very low | 25.3 | Very low | 117 Ų | 117 | 142 Ų | 142 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | | | trans | -59.8 | 103.4 | 173.8 | 177.2 | 0 | 0 | 0 | 0 | 107.7 | L536 | V534-L536 HydrophobicContact CG1-CG 4.26Å; V534-L536 PolarHBondContact O-N 3.31Å; V534-L536 VanDerWaalsContact O-N 3.09Å |
| 535 | Y | 25.7 | Very low | 25.3 | Very low | 208 Ų | 208 | 143.5 Ų | 143.5 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | | | trans | -75.4 | 94.7 | 166.5 | -89.3 | -91.8 | 0 | 0 | 0 | 107.9 | T533 N537 | T533-Y535 PolarHBondContact O-N 2.94Å; Y535-N537 PolarHBondContact O-N 3.48Å |
| 536 | L | 27.2 | Very low | 25.2 | Very low | 142 Ų | 142 | 146 Ų | 146 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | | | trans | -67.2 | 111 | 163.3 | -89.2 | 156.5 | 0 | 0 | 0 | 107.8 | V534 T538 | V534-L536 HydrophobicContact CG1-CG 4.26Å; V534-L536 PolarHBondContact O-N 3.31Å; V534-L536 VanDerWaalsContact O-N 3.09Å; L536-T538 VanDerWaalsContact C-N 3.25Å; L536-T538 PolarHBondContact O-N 2.84Å |
| 537 | N | 23.6 | Very low | 24.9 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -62.2 | 86.3 | 166.3 | -76.3 | -26 | 0 | 0 | 0 | 109.2 | Y535 | Y535-N537 PolarHBondContact O-N 3.48Š|
| 538 | T | 26.5 | Very low | 24.7 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | trans | -95.1 | 92.7 | 161 | 38.8 | 0 | 0 | 0 | 0 | 108.7 | L536 R540 | L536-T538 VanDerWaalsContact C-N 3.25Å; L536-T538 PolarHBondContact O-N 2.84Å; T538-R540 PolarHBondContact O-N 2.79Å |
| 539 | S | 24.1 | Very low | 24.7 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | | | trans | -61 | 87.4 | 156.3 | -38.5 | 0 | 0 | 0 | 0 | 107.3 | | |
| 540 | R | 25.1 | Very low | 24.5 | Very low | 200 Ų | 200 | 145.6 Ų | 145.6 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | -117.7 | 96 | 170 | -142 | 177.2 | -156.3 | -170.9 | 4.8 | 107.9 | T538 F542 | T538-R540 PolarHBondContact O-N 2.79Å; R540-F542 VanDerWaalsContact C-N 3.34Å; R540-F542 PolarHBondContact O-N 3.02Å |
| 541 | E | 23 | Very low | 24.5 | Very low | 178 Ų | 178 | 145.2 Ų | 145.2 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | | | trans | -48.6 | 96.2 | 164.1 | -67.1 | 170.8 | 162.7 | 0 | 0 | 108.7 | N543 | E541-N543 VanDerWaalsContact C-N 3.34Å; E541-N543 PolarHBondContact O-N 2.92Å |
| 542 | F | 25 | Very low | 24.5 | Very low | 162 Ų | 162 | 150 Ų | 150 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | | | trans | -83.9 | 90 | 166.8 | -95.3 | -80 | 0 | 0 | 0 | 107.4 | R540 V544 | R540-F542 VanDerWaalsContact C-N 3.34Å; R540-F542 PolarHBondContact O-N 3.02Å; F542-V544 HydrophobicContact CB-CG2 4.13Å; F542-V544 HydrophobicContact CD1-CG2 4.04Å; F542-V544 PolarHBondContact O-N 2.76Å |
| 543 | N | 24.7 | Very low | 24.6 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | | | trans | -61.9 | 82.5 | 157.6 | -75.9 | -32.1 | 0 | 0 | 0 | 108.2 | E541 | E541-N543 VanDerWaalsContact C-N 3.34Å; E541-N543 PolarHBondContact O-N 2.92Å |
| 544 | V | 26.4 | Very low | 24.6 | Very low | 109 Ų | 109 | 146.9 Ų | 146.9 | 66% | 0.661 | 77% | 0.774 | S | S | * | * | | | trans | -101 | 89.4 | 168.7 | -179.2 | 0 | 0 | 0 | 0 | 107.4 | F542 | F542-V544 HydrophobicContact CB-CG2 4.13Å; F542-V544 HydrophobicContact CD1-CG2 4.04Å; F542-V544 PolarHBondContact O-N 2.76Å |
| 545 | S | 24.7 | Very low | 24.7 | Very low | 98 Ų | 98 | 148.5 Ų | 148.5 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | | | trans | 13.8 | 118.6 | 140.8 | 49.2 | 0 | 0 | 0 | 0 | 117 | S547 | S545-S547 PolarHBondContact O-N 2.62Š|
| 546 | E | 21.9 | Very low | 24.9 | Very low | 186 Ų | 186 | 147.2 Ų | 147.2 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | | | trans | -35.9 | 100.5 | 161.9 | -66.8 | 169.4 | 139.7 | 0 | 0 | 113.1 | N548 | E546-N548 PolarHBondContact O-N 3.47Š|
| 547 | S | 22.8 | Very low | 24.8 | Very low | 118 Ų | 118 | 143.3 Ų | 143.3 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | trans | -89.3 | 87.9 | 158.8 | 62.4 | 0 | 0 | 0 | 0 | 108.5 | S545 S549 | S545-S547 PolarHBondContact O-N 2.62Å; S547-S549 PolarHBondContact O-N 2.87Å |
| 548 | N | 23.4 | Very low | 25 | Very low | 143 Ų | 143 | 143.5 Ų | 143.5 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | | | trans | -55.6 | 114 | 159.6 | -84.7 | -39.9 | 0 | 0 | 0 | 109.3 | E546 | E546-N548 PolarHBondContact O-N 3.47Š|
| 549 | S | 25 | Very low | 25.2 | Very low | 104 Ų | 104 | 146.4 Ų | 146.4 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | 136.1 | 92.7 | 151.5 | 74.2 | 0 | 0 | 0 | 0 | 111.1 | S547 | S547-S549 PolarHBondContact O-N 2.87Š|
| 550 | N | 23.8 | Very low | 25.4 | Very low | 151 Ų | 151 | 145.5 Ų | 145.5 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | | | trans | -154.9 | 113.4 | 133.5 | -98.8 | -24.1 | 0 | 0 | 0 | 110 | F552 | N550-F552 PolarHBondContact O-N 2.94Š|
| 551 | K | 22.5 | Very low | 25.6 | Very low | 201 Ų | 201 | 143 Ų | 143 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | | | trans | -49.8 | 105.1 | 160.1 | -83.7 | 169 | 166.4 | 171.2 | 0 | 108.7 | | |
| 552 | F | 25.8 | Very low | 26.1 | Very low | 192 Ų | 192 | 144 Ų | 144 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | | | trans | -124.1 | 107.1 | 147.3 | -91.4 | -79.3 | 0 | 0 | 0 | 109 | N550 | N550-F552 PolarHBondContact O-N 2.94Š|
| 553 | T | 24.4 | Very low | 26.2 | Very low | 117 Ų | 117 | 145 Ų | 145 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | | | trans | -55.3 | 122.5 | 168.7 | 38.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 554 | T | 26.2 | Very low | 26.5 | Very low | 112 Ų | 112 | 144.8 Ų | 144.8 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | | | trans | 28.1 | 110 | 139 | 54.4 | 0 | 0 | 0 | 0 | 118.4 | | |
| 555 | T | 26 | Very low | 26.9 | Very low | 150 Ų | 150 | 145.2 Ų | 145.2 | 92% | 0.92 | 79% | 0.785 | S | S | * | * | | | trans | -112 | 88.4 | 140.3 | 3.5 | 0 | 0 | 0 | 0 | 107.5 | G557 | T555-G557 VanDerWaalsContact C-N 3.29Å; T555-G557 PolarHBondContact O-N 3.27Å |
| 556 | K | 30.4 | Very low | 27.2 | Very low | 182 Ų | 182 | 149.7 Ų | 149.7 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | -70.9 | 92.1 | 164.2 | -75.1 | -175.5 | 177 | -176.9 | 0 | 107.3 | | |
| 557 | G | 26.2 | Very low | 27.8 | Very low | 60 Ų | 60 | 150 Ų | 150 | 62% | 0.619 | 79% | 0.79 | S | S | * | * | | | trans | -64.8 | 129 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | T555 | T555-G557 VanDerWaalsContact C-N 3.29Å; T555-G557 PolarHBondContact O-N 3.27Å |
| 558 | I | 27.9 | Very low | 28 | Very low | 156 Ų | 156 | 156.1 Ų | 156.1 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 68.8 | 33.6 | 153.1 | -26.6 | 178.6 | 0 | 0 | 0 | 118.5 | | |
| 559 | Q | 29.3 | Very low | 28.4 | Very low | 182 Ų | 182 | 158.5 Ų | 158.5 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | | | trans | -109.6 | 11.9 | 158.7 | -76.1 | -169.8 | -7.1 | 0 | 0 | 114.6 | | |
| 560 | S | 28.7 | Very low | 28.6 | Very low | 104 Ų | 104 | 158.4 Ų | 158.4 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -105.9 | 14.1 | -174 | -165.8 | 0 | 0 | 0 | 0 | 115.9 | F562 | S560-F562 VanDerWaalsContact C-N 3.33Å; S560-F562 PolarHBondContact O-N 2.89Å |
| 561 | L | 29.4 | Very low | 28.7 | Very low | 148 Ų | 148 | 156.4 Ų | 156.4 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -84.4 | 1 | 177.9 | -80.9 | 170.2 | 0 | 0 | 0 | 115.1 | | |
| 562 | F | 32.8 | Very low | 29 | Very low | 198 Ų | 198 | 152.3 Ų | 152.3 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -123.8 | 63.3 | 172.3 | -64.4 | -73.8 | 0 | 0 | 0 | 111.7 | S560 | S560-F562 VanDerWaalsContact C-N 3.33Å; S560-F562 PolarHBondContact O-N 2.89Å |
| 563 | K | 29.1 | Very low | 29.2 | Very low | 183 Ų | 183 | 149.4 Ų | 149.4 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | | | trans | -161 | 126.4 | 155.4 | -112.4 | 158.6 | -172.1 | -179.3 | 0 | 112.1 | | |
| 564 | L | 30.2 | Very low | 29.2 | Very low | 146 Ų | 146 | 147.1 Ų | 147.1 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | | | trans | 96.5 | 142.7 | 164.9 | -64 | 140.5 | 0 | 0 | 0 | 116.1 | F566 | L564-F566 HydrophobicContact CD2-CD2 4.31Š|
| 565 | P | 34.6 | Very low | 29.5 | Very low | 118 Ų | 118 | 147.6 Ų | 147.6 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | | | cis | -123.5 | 141.1 | 17.6 | 33.1 | -15 | 0 | 0 | 0 | 114.8 | K567 | P565-K567 PolarHBondContact O-N 3.12Š|
| 566 | F | 31.3 | Very low | 29.6 | Very low | 192 Ų | 192 | 148 Ų | 148 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | | | trans | -50.6 | 127.1 | 162.1 | -76 | -91.3 | 0 | 0 | 0 | 110.3 | L564 R568 | L564-F566 HydrophobicContact CD2-CD2 4.31Å; F566-R568 PolarHBondContact O-N 3.45Å |
| 567 | K | 33.6 | Very low | 29.4 | Very low | 192 Ų | 192 | 146.3 Ų | 146.3 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | | | trans | -60.6 | 105.4 | 168.6 | -74 | -173.2 | 176.8 | 179.5 | 0 | 108.6 | P565 K569 | P565-K567 PolarHBondContact O-N 3.12Å; K567-K569 PolarHBondContact O-N 2.97Å |
| 568 | R | 28.1 | Very low | 29.6 | Very low | 248 Ų | 248 | 152.1 Ų | 152.1 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | | | trans | -63.1 | 100.4 | 158.6 | -68.1 | -178.7 | -176.6 | 163.8 | 0.8 | 106.9 | F566 | F566-R568 PolarHBondContact O-N 3.45Š|
| 569 | K | 31.1 | Very low | 29.5 | Very low | 193 Ų | 193 | 149.3 Ų | 149.3 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 130.2 | 156 | -78.2 | -153 | 173.5 | -171.5 | 0 | 107.8 | K567 | K567-K569 PolarHBondContact O-N 2.97Š|
| 570 | A | 29.9 | Very low | 29.5 | Very low | 101 Ų | 101 | 147.8 Ų | 147.8 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 141.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 571 | S | 25.7 | Very low | 29.5 | Very low | 109 Ų | 109 | 149.6 Ų | 149.6 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 132.4 | 166.3 | -169.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 572 | T | 28.2 | Very low | 29.5 | Very low | 116 Ų | 116 | 149.8 Ų | 149.8 | 71% | 0.712 | 80% | 0.799 | S | S | * | * | | | trans | -3.1 | 139.8 | 156.1 | 49.4 | 0 | 0 | 0 | 0 | 120.4 | | |
| 573 | P | 31.4 | Very low | 29.2 | Very low | 131 Ų | 131 | 146.1 Ų | 146.1 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | | | | -100 | 141.4 | 122.1 | -1.9 | 21.3 | 0 | 0 | 0 | 110.2 | | |
| 574 | G | 23.7 | Very low | 29.2 | Very low | 68 Ų | 68 | 145.1 Ų | 145.1 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | | | trans | -75.1 | -167.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 575 | P | 31.5 | Very low | 29 | Very low | 122 Ų | 122 | 147 Ų | 147 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | | | trans | -92.3 | 147 | -148.2 | 35.7 | -33.5 | 0 | 0 | 0 | 112.8 | | |
| 576 | N | 29.4 | Very low | 28.8 | Very low | 159 Ų | 159 | 146.9 Ų | 146.9 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | | | trans | -117.7 | 113.3 | 158.3 | -143.9 | -9.2 | 0 | 0 | 0 | 108.7 | | |
| 577 | I | 24.7 | Very low | 28.5 | Very low | 146 Ų | 146 | 147.9 Ų | 147.9 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | | | trans | -76 | 124 | 173.9 | -64.2 | 163.8 | 0 | 0 | 0 | 106.3 | | |
| 578 | Q | 32.1 | Very low | 28.2 | Very low | 183 Ų | 183 | 141.8 Ų | 141.8 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | | | trans | -161 | 111.8 | 147.3 | -108.5 | 165.1 | 45.6 | 0 | 0 | 110.1 | | |
| 579 | S | 23.9 | Very low | 28.1 | Very low | 96 Ų | 96 | 141.4 Ų | 141.4 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | | | trans | -50.8 | 147.5 | 160.6 | 51.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 580 | I | 30.9 | Very low | 27.9 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | | 176.7 | 117.4 | 125.6 | -84.7 | 148.8 | 0 | 0 | 0 | 109 | | |
| 581 | N | 27.1 | Very low | 27.7 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | | | trans | 16.4 | 114.9 | 149.6 | -57.7 | -26.3 | 0 | 0 | 0 | 119.6 | | |
| 582 | N | 29.7 | Very low | 27.8 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -159.3 | 112.2 | 130.5 | -99.8 | -19.9 | 0 | 0 | 0 | 110.8 | L584 | N582-L584 PolarHBondContact O-N 3.39Š|
| 583 | P | 27.3 | Very low | 27.6 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | | | trans | -88.1 | 95.1 | 174.4 | 32.4 | -28.3 | 0 | 0 | 0 | 110.1 | | |
| 584 | L | 28.1 | Very low | 27.5 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | | | trans | -102.8 | 105.3 | 165.8 | -84.5 | 164.8 | 0 | 0 | 0 | 110.1 | N582 S586 | N582-L584 PolarHBondContact O-N 3.39Å; L584-S586 PolarHBondContact O-N 3.36Å |
| 585 | K | 27.2 | Very low | 27.7 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | -41.9 | 112.5 | 169.1 | -64.6 | 165.7 | 176.7 | 174.4 | 0 | 111.4 | Y587 | K585-Y587 HydrophobicContact CB-CE2 4.49Š|
| 586 | S | 29.1 | Very low | 27.5 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | -115.4 | 112.1 | 153.6 | 64.1 | 0 | 0 | 0 | 0 | 108.8 | L584 G588 | L584-S586 PolarHBondContact O-N 3.36Å; S586-G588 PolarHBondContact O-N 2.91Å |
| 587 | Y | 26.8 | Very low | 27.5 | Very low | 213 Ų | 213 | 146.7 Ų | 146.7 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | | | trans | -59.4 | 92.4 | 176.3 | -77.7 | -105.6 | 0 | 0 | 0 | 110.9 | K585 | K585-Y587 HydrophobicContact CB-CE2 4.49Š|
| 588 | G | 26.2 | Very low | 27.8 | Very low | 65 Ų | 65 | 146 Ų | 146 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | | | trans | -101.3 | 81.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | S586 S590 | S586-G588 PolarHBondContact O-N 2.91Å; G588-S590 PolarHBondContact O-N 3.31Å |
| 589 | R | 25.1 | Very low | 27.7 | Very low | 239 Ų | 239 | 142.1 Ų | 142.1 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | | | trans | -71 | 94 | 179.9 | -151.5 | 179.1 | -166 | -165.3 | 3.7 | 108.1 | A591 | R589-A591 PolarHBondContact O-N 3.17Š|
| 590 | S | 27.4 | Very low | 27.8 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | | | trans | -63 | 94.7 | 169 | -41.3 | 0 | 0 | 0 | 0 | 108.4 | G588 S592 | G588-S590 PolarHBondContact O-N 3.31Å; S590-S592 PolarHBondContact O-N 3.22Å; S590-S592 VanDerWaalsContact O-N 3.15Å |
| 591 | A | 26.4 | Very low | 27.8 | Very low | 98 Ų | 98 | 146.2 Ų | 146.2 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | | | trans | -73.8 | 104.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | R589 | R589-A591 PolarHBondContact O-N 3.17Š|
| 592 | S | 27.2 | Very low | 27.7 | Very low | 111 Ų | 111 | 146.9 Ų | 146.9 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | | | trans | -53.5 | 130.6 | 170 | -172.5 | 0 | 0 | 0 | 0 | 110.2 | S590 A594 | S590-S592 PolarHBondContact O-N 3.22Å; S590-S592 VanDerWaalsContact O-N 3.15Å; S592-A594 VanDerWaalsContact C-N 3.35Å; S592-A594 PolarHBondContact O-N 3.49Å |
| 593 | L | 24.6 | Very low | 27.9 | Very low | 172 Ų | 172 | 145.2 Ų | 145.2 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | | | trans | -69.1 | 91.2 | 175.2 | -162.9 | 84 | 0 | 0 | 0 | 108.1 | Q595 | L593-Q595 PolarHBondContact O-N 2.95Š|
| 594 | A | 29.5 | Very low | 27.9 | Very low | 82 Ų | 82 | 144.6 Ų | 144.6 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | | | trans | -70.1 | 124 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | S592 L596 | S592-A594 VanDerWaalsContact C-N 3.35Å; S592-A594 PolarHBondContact O-N 3.49Å; A594-L596 PolarHBondContact O-N 3.19Å |
| 595 | Q | 27.9 | Very low | 28 | Very low | 181 Ų | 181 | 144.4 Ų | 144.4 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | | | trans | -53.3 | 111.8 | 174.2 | -70.1 | 160.7 | -29.3 | 0 | 0 | 110.3 | L593 | L593-Q595 PolarHBondContact O-N 2.95Š|
| 596 | L | 27.3 | Very low | 28 | Very low | 170 Ų | 170 | 143.5 Ų | 143.5 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | | | trans | -88.2 | 114.1 | 166.1 | -80 | 170.4 | 0 | 0 | 0 | 108.6 | A594 T598 | A594-L596 PolarHBondContact O-N 3.19Å; L596-T598 PolarHBondContact O-N 3.11Å |
| 597 | H | 28.7 | Very low | 28 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | | | trans | -53.4 | 119.3 | 173.2 | -75.9 | -97.2 | 0 | 0 | 0 | 110.6 | S599 | H597-S599 PolarHBondContact O-N 3.05Å; H597-S599 VanDerWaalsContact O-N 3.13Å |
| 598 | T | 31.5 | Very low | 28.1 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | | | trans | -75.2 | 94.8 | 164.2 | 51.9 | 0 | 0 | 0 | 0 | 107.8 | L596 N600 | L596-T598 PolarHBondContact O-N 3.11Å; T598-N600 PolarHBondContact O-N 3.1Å |
| 599 | S | 28.9 | Very low | 28.2 | Very low | 101 Ų | 101 | 140.8 Ų | 140.8 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | | | trans | -65.1 | 119.4 | 165 | 47.4 | 0 | 0 | 0 | 0 | 108.6 | H597 E601 | H597-S599 PolarHBondContact O-N 3.05Å; H597-S599 VanDerWaalsContact O-N 3.13Å; S599-E601 VanDerWaalsContact C-N 3.35Å; S599-E601 PolarHBondContact O-N 2.94Å |
| 600 | N | 27.6 | Very low | 28.3 | Very low | 158 Ų | 158 | 136.7 Ų | 136.7 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | | | trans | -61.8 | 90.3 | 170.2 | -78.8 | -14.5 | 0 | 0 | 0 | 109.8 | T598 | T598-N600 PolarHBondContact O-N 3.1Š|
| 601 | E | 29.4 | Very low | 28.5 | Very low | 173 Ų | 173 | 137.8 Ų | 137.8 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | | | trans | -109.6 | 101.7 | 158.6 | -78.8 | -174.8 | 165.3 | 0 | 0 | 107.4 | S599 P603 | S599-E601 VanDerWaalsContact C-N 3.35Å; S599-E601 PolarHBondContact O-N 2.94Å; E601-P603 WeakPolarHBondContact O-CD 3.46Å |
| 602 | N | 26.8 | Very low | 28.7 | Very low | 157 Ų | 157 | 142 Ų | 142 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | | | trans | -56.3 | 114 | 169.9 | -78.7 | -39 | 0 | 0 | 0 | 108.8 | S604 | N602-S604 PolarHBondContact O-N 3.1Š|
| 603 | P | 34 | Very low | 28.8 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | | | trans | -71.9 | 102.7 | 164.1 | 29 | -26.6 | 0 | 0 | 0 | 106.3 | E601 I605 | E601-P603 WeakPolarHBondContact O-CD 3.46Å; P603-I605 PolarHBondContact O-N 3.37Å |
| 604 | S | 27.1 | Very low | 29 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | | | trans | -41.4 | 113.3 | 161.8 | 164.3 | 0 | 0 | 0 | 0 | 108.1 | N602 M606 | N602-S604 PolarHBondContact O-N 3.1Å; S604-M606 PolarHBondContact O-N 2.72Å |
| 605 | I | 30.4 | Very low | 29.1 | Very low | 159 Ų | 159 | 149.1 Ų | 149.1 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | | | trans | -60.3 | 94.9 | 173.1 | -61.8 | 167.6 | 0 | 0 | 0 | 105.6 | P603 S607 | P603-I605 PolarHBondContact O-N 3.37Å; I605-S607 VanDerWaalsContact C-N 3.26Å; I605-S607 PolarHBondContact O-N 2.87Å |
| 606 | M | 26.8 | Very low | 29.3 | Very low | 166 Ų | 166 | 145.6 Ų | 145.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | -68.3 | 97 | 171.6 | -157.5 | 158.8 | 161.8 | 0 | 0 | 104.3 | S604 I608 | S604-M606 PolarHBondContact O-N 2.72Å; M606-I608 VanDerWaalsContact C-N 3.27Å; M606-I608 PolarHBondContact O-N 3.41Å |
| 607 | S | 28.8 | Very low | 29.6 | Very low | 110 Ų | 110 | 143.5 Ų | 143.5 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | trans | -58.6 | 93.3 | 174.8 | 43.8 | 0 | 0 | 0 | 0 | 108 | I605 S609 | I605-S607 VanDerWaalsContact C-N 3.26Å; I605-S607 PolarHBondContact O-N 2.87Å; S607-S609 PolarHBondContact O-N 3.43Å |
| 608 | I | 28.6 | Very low | 29.7 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | | | trans | -70.9 | 108.3 | 170.9 | -65.7 | 161 | 0 | 0 | 0 | 105.3 | M606 N610 | M606-I608 VanDerWaalsContact C-N 3.27Å; M606-I608 PolarHBondContact O-N 3.41Å; I608-N610 PolarHBondContact O-N 3.02Å |
| 609 | S | 27.3 | Very low | 29.7 | Very low | 76 Ų | 76 | 144.8 Ų | 144.8 | 53% | 0.531 | 79% | 0.787 | S | S | . | * | | | trans | -54.1 | 129.6 | 172.7 | 168.2 | 0 | 0 | 0 | 0 | 109.5 | S607 D611 | S607-S609 PolarHBondContact O-N 3.43Å; S609-D611 PolarHBondContact O-N 2.99Å; S609-D611 VanDerWaalsContact OG-CG 3.27Å; S609-D611 PolarHBondContact OG-N 3.22Å; S609-D611 PolarHBondContact OG-OD2 3.33Å |
| 610 | N | 28.3 | Very low | 29.7 | Very low | 154 Ų | 154 | 147.2 Ų | 147.2 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -70.8 | 14.5 | 179.2 | -82.3 | -32.2 | 0 | 0 | 0 | 114.1 | I608 Q612 | I608-N610 PolarHBondContact O-N 3.02Å; N610-Q612 VanDerWaalsContact C-N 3.29Å; N610-Q612 PolarHBondContact O-N 3.22Å |
| 611 | D | 31.7 | Very low | 29.8 | Very low | 142 Ų | 142 | 147 Ų | 147 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 5.1 | -170.9 | -72.8 | -29 | 0 | 0 | 0 | 115.7 | S609 | S609-D611 PolarHBondContact O-N 2.99Å; S609-D611 VanDerWaalsContact OG-CG 3.27Å; S609-D611 PolarHBondContact OG-N 3.22Å; S609-D611 PolarHBondContact OG-OD2 3.33Å |
| 612 | Q | 30.6 | Very low | 29.9 | Very low | 186 Ų | 186 | 144.4 Ų | 144.4 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.7 | 2.9 | -173.1 | -71 | -164.1 | 5.5 | 0 | 0 | 117.8 | N610 | N610-Q612 VanDerWaalsContact C-N 3.29Å; N610-Q612 PolarHBondContact O-N 3.22Å |
| 613 | L | 29.5 | Very low | 30.3 | Very low | 163 Ų | 163 | 141.9 Ų | 141.9 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -102.5 | 3.5 | -179.6 | -80 | 169.8 | 0 | 0 | 0 | 116.3 | | |
| 614 | N | 28.9 | Very low | 30.2 | Very low | 150 Ų | 150 | 147.4 Ų | 147.4 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | | | trans | -113.1 | 88.1 | 176.4 | -77.6 | -18 | 0 | 0 | 0 | 111.3 | | |
| 615 | K | 31 | Very low | 30.5 | Very low | 202 Ų | 202 | 148.1 Ų | 148.1 | 88% | 0.878 | 78% | 0.779 | S | S | * | * | | | trans | 176.2 | 67.9 | 154.5 | -96.2 | 155.1 | -169.5 | -177.8 | 0 | 111.8 | | |
| 616 | S | 31.3 | Very low | 30.7 | Very low | 107 Ų | 107 | 148.2 Ų | 148.2 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | -140.7 | 51.7 | 159.9 | 60.8 | 0 | 0 | 0 | 0 | 111 | N618 | S616-N618 PolarHBondContact O-N 2.9Š|
| 617 | T | 34.2 | Very low | 31.3 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | trans | -72.4 | 72.4 | 168 | 36.6 | 0 | 0 | 0 | 0 | 110.1 | K619 | T617-K619 PolarHBondContact O-N 2.72Š|
| 618 | N | 30.7 | Very low | 31.7 | Very low | 150 Ų | 150 | 146.4 Ų | 146.4 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | | | trans | -67.7 | 87.4 | 162.8 | -84.9 | -22.6 | 0 | 0 | 0 | 108 | S616 L620 | S616-N618 PolarHBondContact O-N 2.9Å; N618-L620 PolarHBondContact O-N 2.74Å |
| 619 | K | 31.4 | Very low | 32.4 | Very low | 187 Ų | 187 | 144.4 Ų | 144.4 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | | | trans | -61.7 | 95.6 | 168.9 | -76.3 | -179.3 | 175.8 | 179.6 | 0 | 108.4 | T617 N621 | T617-K619 PolarHBondContact O-N 2.72Å; K619-N621 PolarHBondContact O-N 2.94Å |
| 620 | L | 30 | Very low | 33 | Very low | 152 Ų | 152 | 147 Ų | 147 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | | | trans | -64.3 | 101.8 | 166.3 | -106.9 | 131.5 | 0 | 0 | 0 | 107.6 | N618 V622 | N618-L620 PolarHBondContact O-N 2.74Å; L620-V622 VanDerWaalsContact C-N 3.32Å; L620-V622 PolarHBondContact O-N 2.93Å |
| 621 | N | 29.2 | Very low | 33.4 | Very low | 153 Ų | 153 | 147.3 Ų | 147.3 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | -61.1 | 95.3 | 166.6 | -94.4 | -20 | 0 | 0 | 0 | 108 | K619 P623 | K619-N621 PolarHBondContact O-N 2.94Å; N621-P623 WeakPolarHBondContact O-CD 3.49Å |
| 622 | V | 31.5 | Very low | 34 | Very low | 118 Ų | 118 | 146.4 Ų | 146.4 | 72% | 0.715 | 75% | 0.747 | S | S | * | * | | | trans | -84.1 | 109.4 | 169.7 | -177.7 | 0 | 0 | 0 | 0 | 107 | L620 Y624 | L620-V622 VanDerWaalsContact C-N 3.32Å; L620-V622 PolarHBondContact O-N 2.93Å; V622-Y624 PolarHBondContact O-N 2.92Å |
| 623 | P | 34.7 | Very low | 34.7 | Very low | 104 Ų | 104 | 142.9 Ų | 142.9 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | | | trans | -64.7 | 128.8 | 179.6 | 23.4 | -30.1 | 0 | 0 | 0 | 110 | N621 I625 | N621-P623 WeakPolarHBondContact O-CD 3.49Å; P623-I625 PolarHBondContact O-N 3.5Å |
| 624 | Y | 31.8 | Very low | 35.1 | Very low | 235 Ų | 235 | 139.5 Ų | 139.5 | 92% | 0.922 | 72% | 0.723 | S | S | * | * | | | trans | -42.6 | 98.9 | 171.1 | -101.7 | -104.7 | 0 | 0 | 0 | 111.5 | V622 K626 | V622-Y624 PolarHBondContact O-N 2.92Å; Y624-K626 PolarHBondContact O-N 3.46Å |
| 625 | I | 33.5 | Very low | 35.7 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 62% | 0.621 | 72% | 0.719 | S | S | * | * | | | trans | -82.3 | 106.3 | 170 | -59.7 | 176.8 | 0 | 0 | 0 | 106.6 | P623 L629 | P623-I625 PolarHBondContact O-N 3.5Å; I625-L629 HydrophobicContact CG2-CD1 3.87Å |
| 626 | K | 35.5 | Very low | 36.1 | Very low | 161 Ų | 161 | 139.8 Ų | 139.8 | 70% | 0.7 | 73% | 0.725 | S | S | * | * | | | trans | -49.5 | 150.2 | 175.8 | -77.3 | 177.6 | 177.2 | 176 | 0 | 111.4 | Y624 L628 | Y624-K626 PolarHBondContact O-N 3.46Å; K626-L628 PolarHBondContact O-N 3.31Å |
| 627 | P | 38.3 | Very low | 36.4 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 21.3 | -174.3 | 25.9 | -34.1 | 0 | 0 | 0 | 116.3 | L629 L630 | P627-L629 PolarHBondContact O-N 2.89Å; P627-L630 HydrophobicContact CB-CD1 4.42Å; P627-L630 PolarHBondContact O-N 3.38Å |
| 628 | L | 38.5 | Very low | 36.5 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 71% | 0.707 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -62.5 | -28.2 | 174.8 | -89.8 | 154.4 | 0 | 0 | 0 | 112.8 | K626 L630 K631 | K626-L628 PolarHBondContact O-N 3.31Å; L628-L630 PolarHBondContact O-N 2.87Å; L628-K631 PolarHBondContact O-N 2.84Å |
| 629 | L | 42.5 | Very low | 36.8 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 57% | 0.565 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -70.7 | -26.2 | 179.5 | -83 | 160.5 | 0 | 0 | 0 | 114.1 | I625 P627 K631 E632 L633 | I625-L629 HydrophobicContact CG2-CD1 3.87Å; P627-L629 PolarHBondContact O-N 2.89Å; L629-K631 PolarHBondContact O-N 2.95Å; L629-E632 PolarHBondContact O-N 3.14Å; L629-L633 PolarHBondContact O-N 3.46Å; L629-L633 VanDerWaalsContact O-N 3.12Å |
| 630 | L | 40.9 | Very low | 37.1 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 69% | 0.686 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -66.9 | -28.6 | 177.3 | -88.5 | 155.4 | 0 | 0 | 0 | 112.2 | P627 L628 S634 | P627-L630 HydrophobicContact CB-CD1 4.42Å; P627-L630 PolarHBondContact O-N 3.38Å; L628-L630 PolarHBondContact O-N 2.87Å; L630-S634 PolarHBondContact O-N 3.12Å |
| 631 | K | 36.4 | Very low | 37.5 | Very low | 160 Ų | 160 | 138.4 Ų | 138.4 | 70% | 0.696 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -78.9 | -25.6 | 179.6 | -156.7 | 176.8 | -174.7 | 178.7 | 0 | 113.2 | L628 L629 S634 | L628-K631 PolarHBondContact O-N 2.84Å; L629-K631 PolarHBondContact O-N 2.95Å; K631-S634 PolarHBondContact O-OG 3.2Å |
| 632 | E | 44.1 | Very low | 38.1 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 58% | 0.575 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -79.2 | -40.1 | 173.5 | -77 | -77.3 | 134.8 | 0 | 0 | 110.6 | L629 S634 K635 | L629-E632 PolarHBondContact O-N 3.14Å; E632-S634 VanDerWaalsContact C-N 3.29Å; E632-S634 PolarHBondContact O-N 3.23Å; E632-K635 PolarHBondContact O-N 3.1Å; E632-K635 VanDerWaalsContact O-N 3.14Å |
| 633 | L | 44.8 | Very low | 38.6 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 58% | 0.581 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -64.9 | -28.9 | 176.4 | -81.1 | 164.3 | 0 | 0 | 0 | 113.4 | L629 K635 I636 | L629-L633 PolarHBondContact O-N 3.46Å; L629-L633 VanDerWaalsContact O-N 3.12Å; L633-K635 PolarHBondContact O-N 3.28Å; L633-I636 HydrophobicContact CD2-CD1 4.47Å; L633-I636 PolarHBondContact O-N 2.97Å |
| 634 | S | 36.9 | Very low | 38.9 | Very low | 93 Ų | 93 | 141.5 Ų | 141.5 | 65% | 0.65 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -5 | 176.4 | 86.1 | 0 | 0 | 0 | 0 | 114.2 | L630 K631 E632 | L630-S634 PolarHBondContact O-N 3.12Å; K631-S634 PolarHBondContact O-OG 3.2Å; E632-S634 VanDerWaalsContact C-N 3.29Å; E632-S634 PolarHBondContact O-N 3.23Å |
| 635 | K | 42.2 | Very low | 39.5 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 71% | 0.713 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -17.9 | 175.6 | -80.7 | -177.2 | 177.9 | 174.9 | 0 | 113.2 | E632 L633 | E632-K635 PolarHBondContact O-N 3.1Å; E632-K635 VanDerWaalsContact O-N 3.14Å; L633-K635 PolarHBondContact O-N 3.28Å |
| 636 | I | 39.9 | Very low | 40 | Very low | 194 Ų | 194 | 134.8 Ų | 134.8 | 100% | 0.995 | 69% | 0.685 | S | S | * | * | | | trans | -80.3 | 0 | 169.6 | -57.2 | 176.3 | 0 | 0 | 0 | 106.9 | L633 | L633-I636 HydrophobicContact CD2-CD1 4.47Å; L633-I636 PolarHBondContact O-N 2.97Å |