| 1 | M | 70.4 | Confident | 73.1 | Confident | 208 Ų | 208 | 117.7 Ų | 117.7 | 100% | 1.025 | 61% | 0.606 | S | S | * | * | | | | 0 | 122.3 | 0 | -143.2 | 75.6 | 97.8 | 0 | 0 | 106.1 | | |
| 2 | D | 77.9 | Confident | 72.5 | Confident | 119 Ų | 119 | 116.3 Ų | 116.3 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | | | trans | -65.7 | 137.8 | 175.6 | -80.8 | -42.4 | 0 | 0 | 0 | 109.2 | V4 D5 | D2-V4 PolarHBondContact O-N 3.07Å; D2-V4 VanDerWaalsContact O-N 3.1Å; D2-D5 PolarHBondContact O-N 3.08Å; D2-D5 VanDerWaalsContact O-N 3.08Å |
| 3 | I | 73 | Confident | 71.8 | Confident | 125 Ų | 125 | 114.8 Ų | 114.8 | 64% | 0.641 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -56.3 | -28.9 | 178.7 | 54.2 | 169.2 | 0 | 0 | 0 | 111.3 | D5 T6 F7 | I3-D5 PolarHBondContact O-N 3.38Å; I3-T6 VanDerWaalsContact O-CB 3.28Å; I3-T6 WeakPolarHBondContact O-CB 3.28Å; I3-T6 PolarHBondContact O-N 3.28Å; I3-T6 VanDerWaalsContact O-N 3.07Å; I3-F7 HydrophobicContact CB-CE2 4.25Å; I3-F7 WeakPolarHBondContact O-CD2 3.44Å; I3-F7 PolarHBondContact O-N 3.28Å |
| 4 | V | 74.8 | Confident | 71.4 | Confident | 93 Ų | 93 | 117.8 Ų | 117.8 | 56% | 0.564 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -60 | -44.5 | 178.1 | -176.3 | 0 | 0 | 0 | 0 | 111.2 | D2 T6 F7 N8 | D2-V4 PolarHBondContact O-N 3.07Å; D2-V4 VanDerWaalsContact O-N 3.1Å; V4-T6 PolarHBondContact O-N 3.13Å; V4-F7 PolarHBondContact O-N 3.46Å; V4-F7 VanDerWaalsContact O-N 3.13Å; V4-N8 VanDerWaalsContact O-CG 3.31Å; V4-N8 PolarHBondContact O-N 3.1Å; V4-N8 VanDerWaalsContact O-N 3.09Å; V4-N8 PolarHBondContact O-ND2 3.29Å |
| 5 | D | 75.6 | Confident | 70.7 | Confident | 88 Ų | 88 | 117.7 Ų | 117.7 | 47% | 0.471 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.3 | -25.1 | 176.5 | -79.5 | -18.9 | 0 | 0 | 0 | 113 | D2 I3 N8 | D2-D5 PolarHBondContact O-N 3.08Å; D2-D5 VanDerWaalsContact O-N 3.08Å; I3-D5 PolarHBondContact O-N 3.38Å; D5-N8 PolarHBondContact OD1-ND2 3.09Å |
| 6 | T | 75.1 | Confident | 70.5 | Confident | 81 Ų | 81 | 116.3 Ų | 116.3 | 50% | 0.497 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -72 | -32.3 | 175.6 | -49.6 | 0 | 0 | 0 | 0 | 111.5 | I3 V4 | I3-T6 VanDerWaalsContact O-CB 3.28Å; I3-T6 WeakPolarHBondContact O-CB 3.28Å; I3-T6 PolarHBondContact O-N 3.28Å; I3-T6 VanDerWaalsContact O-N 3.07Å; V4-T6 PolarHBondContact O-N 3.13Å |
| 7 | F | 70.1 | Confident | 70.2 | Confident | 121 Ų | 121 | 116.9 Ų | 116.9 | 53% | 0.531 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -90 | -18.3 | -179.7 | -65 | -71.7 | 0 | 0 | 0 | 114 | I3 V4 H9 L10 | I3-F7 HydrophobicContact CB-CE2 4.25Å; I3-F7 WeakPolarHBondContact O-CD2 3.44Å; I3-F7 PolarHBondContact O-N 3.28Å; V4-F7 PolarHBondContact O-N 3.46Å; V4-F7 VanDerWaalsContact O-N 3.13Å; F7-H9 PolarHBondContact O-N 3.19Å; F7-L10 HydrophobicContact CD1-CD1 3.75Å; F7-L10 HydrophobicContact CE1-CD1 4.31Å; F7-L10 WeakPolarHBondContact O-CB 2.98Å; F7-L10 PolarHBondContact O-N 3.27Å |
| 8 | N | 72.1 | Confident | 70 | Confident | 79 Ų | 79 | 115.7 Ų | 115.7 | 42% | 0.422 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -59.3 | -31 | 178.9 | -77.8 | -37.1 | 0 | 0 | 0 | 113.2 | V4 D5 L10 | V4-N8 VanDerWaalsContact O-CG 3.31Å; V4-N8 PolarHBondContact O-N 3.1Å; V4-N8 VanDerWaalsContact O-N 3.09Å; V4-N8 PolarHBondContact O-ND2 3.29Å; D5-N8 PolarHBondContact OD1-ND2 3.09Å; N8-L10 VanDerWaalsContact C-N 3.32Å |
| 9 | H | 70.6 | Confident | 69.8 | Low | 168 Ų | 168 | 112.7 Ų | 112.7 | 78% | 0.778 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -12.2 | 175.5 | -54.3 | -55.5 | 0 | 0 | 0 | 114.2 | F7 | F7-H9 PolarHBondContact O-N 3.19Š|
| 10 | L | 71.9 | Confident | 69.7 | Low | 123 Ų | 123 | 112.7 Ų | 112.7 | 64% | 0.644 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -8.1 | -179.5 | -68.3 | 170.2 | 0 | 0 | 0 | 112.5 | F7 N8 P12 | F7-L10 HydrophobicContact CD1-CD1 3.75Å; F7-L10 HydrophobicContact CE1-CD1 4.31Å; F7-L10 WeakPolarHBondContact O-CB 2.98Å; F7-L10 PolarHBondContact O-N 3.27Å; N8-L10 VanDerWaalsContact C-N 3.32Å; L10-P12 VanDerWaalsContact O-CD 3.27Å; L10-P12 WeakPolarHBondContact O-CD 3.27Å |
| 11 | I | 72 | Confident | 69.3 | Low | 90 Ų | 90 | 114.4 Ų | 114.4 | 46% | 0.462 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -84.2 | 112 | 172.2 | -55.7 | 176.9 | 0 | 0 | 0 | 106.5 | T13 | I11-T13 HydrophobicContact CB-CG2 4.38Å; I11-T13 HydrophobicContact CG2-CG2 3.86Å; I11-T13 PolarHBondContact O-N 3.14Å |
| 12 | P | 66.8 | Low | 68.8 | Low | 100 Ų | 100 | 110.8 Ų | 110.8 | 65% | 0.649 | 58% | 0.584 | S | S | * | * | | | trans | -70.8 | 87.6 | 174.2 | -8 | 25.7 | 0 | 0 | 0 | 107.7 | L10 E14 | L10-P12 VanDerWaalsContact O-CD 3.27Å; L10-P12 WeakPolarHBondContact O-CD 3.27Å; P12-E14 PolarHBondContact O-N 2.95Å |
| 13 | T | 63.6 | Low | 68 | Low | 98 Ų | 98 | 107.1 Ų | 107.1 | 60% | 0.601 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -78.1 | -7.9 | 176.7 | 49.3 | 0 | 0 | 0 | 0 | 112.3 | I11 H15 | I11-T13 HydrophobicContact CB-CG2 4.38Å; I11-T13 HydrophobicContact CG2-CG2 3.86Å; I11-T13 PolarHBondContact O-N 3.14Å; T13-H15 PolarHBondContact O-N 3.22Å |
| 14 | E | 65.3 | Low | 67.4 | Low | 156 Ų | 156 | 105.4 Ų | 105.4 | 73% | 0.729 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -69 | -9.6 | -171.8 | 55.4 | -179.6 | -165.3 | 0 | 0 | 115.5 | P12 | P12-E14 PolarHBondContact O-N 2.95Š|
| 15 | H | 62 | Low | 66.7 | Low | 117 Ų | 117 | 105.9 Ų | 105.9 | 54% | 0.542 | 57% | 0.573 | S | S | . | * | G | 310 helix | trans | -140.2 | 20.5 | -179 | -76.2 | -69.3 | 0 | 0 | 0 | 114.7 | T13 D17 D18 A19 | T13-H15 PolarHBondContact O-N 3.22Å; H15-D17 VanDerWaalsContact C-N 3.35Å; H15-D18 IonicContact CE1-OD2 3.81Å; H15-D18 PolarHBondContact CE1-OD2 3.47Å; H15-D18 IonicContact CG-OD2 3.79Å; H15-D18 IonicContact ND1-OD2 2.71Å; H15-D18 PolarHBondContact ND1-OD2 3.17Å; H15-A19 PolarHBondContact O-N 2.92Å |
| 16 | L | 66 | Low | 65.9 | Low | 95 Ų | 95 | 108.8 Ų | 108.8 | 50% | 0.497 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -69.8 | -35.3 | 177.4 | -124.4 | 143.7 | 0 | 0 | 0 | 111.5 | A19 L20 | L16-A19 PolarHBondContact O-N 3.48Å; L16-L20 VanDerWaalsContact O-CG 3.32Å; L16-L20 WeakPolarHBondContact O-CG 3.43Å; L16-L20 PolarHBondContact O-N 2.82Å |
| 17 | D | 66.5 | Low | 65 | Low | 127 Ų | 127 | 111.8 Ų | 111.8 | 68% | 0.679 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67 | -36.2 | 177.7 | -59.6 | -36.1 | 0 | 0 | 0 | 112.2 | H15 L20 F21 | H15-D17 VanDerWaalsContact C-N 3.35Å; D17-L20 PolarHBondContact O-N 3.23Å; D17-F21 PolarHBondContact O-N 3.47Å |
| 18 | D | 67 | Low | 64.4 | Low | 94 Ų | 94 | 112.9 Ų | 112.9 | 50% | 0.503 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -69.8 | -37 | 175.4 | -65.6 | -24.7 | 0 | 0 | 0 | 111.9 | H15 F21 L22 | H15-D18 IonicContact CE1-OD2 3.81Å; H15-D18 PolarHBondContact CE1-OD2 3.47Å; H15-D18 IonicContact CG-OD2 3.79Å; H15-D18 IonicContact ND1-OD2 2.71Å; H15-D18 PolarHBondContact ND1-OD2 3.17Å; D18-F21 PolarHBondContact O-N 3.09Å; D18-L22 PolarHBondContact O-N 3.21Å |
| 19 | A | 66 | Low | 63.8 | Low | 60 Ų | 60 | 115.1 Ų | 115.1 | 50% | 0.496 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -67.6 | -35.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | H15 L16 L22 G23 | H15-A19 PolarHBondContact O-N 2.92Å; L16-A19 PolarHBondContact O-N 3.48Å; A19-L22 PolarHBondContact O-N 2.99Å; A19-G23 PolarHBondContact O-N 3.2Å |
| 20 | L | 66.4 | Low | 63.2 | Low | 111 Ų | 111 | 111.8 Ų | 111.8 | 58% | 0.581 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.5 | -36.8 | 173.8 | -70.6 | 172.8 | 0 | 0 | 0 | 111.8 | L16 D17 G23 S24 | L16-L20 VanDerWaalsContact O-CG 3.32Å; L16-L20 WeakPolarHBondContact O-CG 3.43Å; L16-L20 PolarHBondContact O-N 2.82Å; D17-L20 PolarHBondContact O-N 3.23Å; L20-G23 PolarHBondContact O-N 3.45Å; L20-S24 PolarHBondContact O-N 2.89Å; L20-S24 PolarHBondContact O-OG 3.39Å; L20-S24 VanDerWaalsContact O-OG 3.13Å |
| 21 | F | 62.5 | Low | 62.3 | Low | 149 Ų | 149 | 108.6 Ų | 108.6 | 65% | 0.654 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.6 | -39.6 | 174.3 | -173.7 | -101.3 | 0 | 0 | 0 | 112.6 | D17 D18 S24 N25 | D17-F21 PolarHBondContact O-N 3.47Å; D18-F21 PolarHBondContact O-N 3.09Å; F21-S24 PolarHBondContact O-OG 3.21Å; F21-N25 PolarHBondContact O-ND2 3.38Å |
| 22 | L | 60.4 | Low | 61.5 | Low | 132 Ų | 132 | 111.5 Ų | 111.5 | 69% | 0.691 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.5 | -37.1 | 172.4 | -127.2 | 70.8 | 0 | 0 | 0 | 112.2 | D18 A19 S24 N25 | D18-L22 PolarHBondContact O-N 3.21Å; A19-L22 PolarHBondContact O-N 2.99Å; L22-S24 VanDerWaalsContact C-N 3.3Å; L22-S24 PolarHBondContact O-N 2.99Å; L22-N25 PolarHBondContact O-N 3.05Å |
| 23 | G | 59.6 | Low | 60.9 | Low | 43 Ų | 43 | 113.1 Ų | 113.1 | 44% | 0.443 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.1 | -25 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A19 L20 N25 L26 | A19-G23 PolarHBondContact O-N 3.2Å; L20-G23 PolarHBondContact O-N 3.45Å; G23-N25 VanDerWaalsContact C-N 3.25Å; G23-N25 PolarHBondContact O-N 2.69Å; G23-L26 PolarHBondContact O-N 2.71Å |
| 24 | S | 61.1 | Low | 60.6 | Low | 89 Ų | 89 | 113.9 Ų | 113.9 | 62% | 0.622 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -10.1 | 172.2 | 41.2 | 0 | 0 | 0 | 0 | 114.8 | L20 F21 L22 | L20-S24 PolarHBondContact O-N 2.89Å; L20-S24 PolarHBondContact O-OG 3.39Å; L20-S24 VanDerWaalsContact O-OG 3.13Å; F21-S24 PolarHBondContact O-OG 3.21Å; L22-S24 VanDerWaalsContact C-N 3.3Å; L22-S24 PolarHBondContact O-N 2.99Å |
| 25 | N | 59.8 | Low | 60.1 | Low | 102 Ų | 102 | 110.3 Ų | 110.3 | 55% | 0.545 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.8 | 16.7 | 174.7 | -81.3 | -82.5 | 0 | 0 | 0 | 112.8 | F21 L22 G23 E27 | F21-N25 PolarHBondContact O-ND2 3.38Å; L22-N25 PolarHBondContact O-N 3.05Å; G23-N25 VanDerWaalsContact C-N 3.25Å; G23-N25 PolarHBondContact O-N 2.69Å; N25-E27 VanDerWaalsContact C-N 3.26Å; N25-E27 WeakPolarHBondContact O-CG 3.32Å; N25-E27 PolarHBondContact O-N 2.79Å |
| 26 | L | 59.6 | Low | 59.9 | Low | 149 Ų | 149 | 110.5 Ų | 110.5 | 78% | 0.78 | 61% | 0.606 | S | S | * | * | | | trans | -93.1 | 66.6 | 168 | -67.6 | 173.2 | 0 | 0 | 0 | 110 | G23 | G23-L26 PolarHBondContact O-N 2.71Š|
| 27 | E | 54.9 | Low | 59.5 | Low | 144 Ų | 144 | 108.5 Ų | 108.5 | 67% | 0.673 | 60% | 0.6 | S | S | * | * | | | trans | 6 | 114.7 | 139.1 | -20.2 | -174.8 | 102.9 | 0 | 0 | 114.8 | N25 E29 | N25-E27 VanDerWaalsContact C-N 3.26Å; N25-E27 WeakPolarHBondContact O-CG 3.32Å; N25-E27 PolarHBondContact O-N 2.79Å; E27-E29 HydrophobicContact CB-CG 4.26Å; E27-E29 WeakPolarHBondContact CB-OE1 3.36Å; E27-E29 WeakPolarHBondContact CG-OE1 3.28Å |
| 28 | N | 59.2 | Low | 59.3 | Low | 144 Ų | 144 | 106.5 Ų | 106.5 | 77% | 0.77 | 59% | 0.587 | S | S | * | * | | | trans | -93.3 | 91.3 | 142.2 | -172.2 | 80.4 | 0 | 0 | 0 | 105.4 | V30 | N28-V30 VanDerWaalsContact C-N 3.34Å; N28-V30 PolarHBondContact O-N 3.32Å |
| 29 | E | 58.6 | Low | 59.2 | Low | 126 Ų | 126 | 106.2 Ų | 106.2 | 59% | 0.589 | 59% | 0.585 | S | S | * | * | | | trans | -50.1 | 100 | 168.3 | -40.9 | -71.2 | 162 | 0 | 0 | 107.5 | E27 C31 | E27-E29 HydrophobicContact CB-CG 4.26Å; E27-E29 WeakPolarHBondContact CB-OE1 3.36Å; E27-E29 WeakPolarHBondContact CG-OE1 3.28Å; E29-C31 PolarHBondContact O-N 3.03Å |
| 30 | V | 58.7 | Low | 59.5 | Low | 99 Ų | 99 | 108.2 Ų | 108.2 | 60% | 0.6 | 59% | 0.591 | S | S | * | * | | | trans | -69.7 | 92.9 | 160.6 | 174 | 0 | 0 | 0 | 0 | 104 | N28 E32 | N28-V30 VanDerWaalsContact C-N 3.34Å; N28-V30 PolarHBondContact O-N 3.32Å; V30-E32 VanDerWaalsContact C-N 3.35Å; V30-E32 HydrophobicContact CG1-CG 4.47Å; V30-E32 WeakPolarHBondContact CG1-OE1 3.03Å; V30-E32 PolarHBondContact O-N 3.42Å |
| 31 | C | 51.8 | Low | 60.1 | Low | 55 Ų | 55 | 108.9 Ų | 108.9 | 37% | 0.372 | 60% | 0.595 | S | S | . | * | | | trans | -64 | 98.2 | 173.5 | 172.5 | 0 | 0 | 0 | 0 | 107.3 | E29 D33 F34 | E29-C31 PolarHBondContact O-N 3.03Å; C31-D33 PolarHBondContact O-N 3.34Å; C31-F34 HydrophobicContact CB-CD2 3.88Å; C31-F34 HydrophobicContact CB-CE2 3.5Å; C31-F34 HydrophobicContact CB-CZ 4.26Å; C31-F34 WeakPolarHBondContact O-CD2 3.47Å; C31-F34 PolarHBondContact O-N 2.81Å |
| 32 | E | 56.3 | Low | 61 | Low | 152 Ų | 152 | 105.3 Ų | 105.3 | 71% | 0.71 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 9.7 | 179 | -66.5 | -71.8 | 152.6 | 0 | 0 | 113.1 | V30 | V30-E32 VanDerWaalsContact C-N 3.35Å; V30-E32 HydrophobicContact CG1-CG 4.47Å; V30-E32 WeakPolarHBondContact CG1-OE1 3.03Å; V30-E32 PolarHBondContact O-N 3.42Å |
| 33 | D | 53.8 | Low | 62 | Low | 133 Ų | 133 | 103.3 Ų | 103.3 | 71% | 0.711 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | 6.6 | 171.7 | -69.1 | -42.5 | 0 | 0 | 0 | 113.1 | C31 S35 | C31-D33 PolarHBondContact O-N 3.34Å; D33-S35 VanDerWaalsContact C-N 3.32Å; D33-S35 PolarHBondContact O-N 3.36Å |
| 34 | F | 56.1 | Low | 63.3 | Low | 115 Ų | 115 | 104.5 Ų | 104.5 | 50% | 0.504 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -72.1 | -20.1 | 177.8 | -79.5 | -62.4 | 0 | 0 | 0 | 113.7 | C31 T36 S37 Q38 | C31-F34 HydrophobicContact CB-CD2 3.88Å; C31-F34 HydrophobicContact CB-CE2 3.5Å; C31-F34 HydrophobicContact CB-CZ 4.26Å; C31-F34 WeakPolarHBondContact O-CD2 3.47Å; C31-F34 PolarHBondContact O-N 2.81Å; F34-T36 VanDerWaalsContact C-N 3.26Å; F34-T36 PolarHBondContact O-N 3.45Å; F34-S37 PolarHBondContact O-N 3.05Å; F34-S37 VanDerWaalsContact O-N 3.14Å; F34-S37 PolarHBondContact O-OG 3.15Å; F34-Q38 HydrophobicContact CB-CB 4.49Å; F34-Q38 WeakPolarHBondContact O-CA 3.03Å; F34-Q38 WeakPolarHBondContact O-CB 3.08Å; F34-Q38 PolarHBondContact O-N 2.99Å |
| 35 | S | 56 | Low | 64.5 | Low | 80 Ų | 80 | 105 Ų | 105 | 56% | 0.559 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59 | -32 | -168.2 | -66.3 | 0 | 0 | 0 | 0 | 114.9 | D33 N39 | D33-S35 VanDerWaalsContact C-N 3.32Å; D33-S35 PolarHBondContact O-N 3.36Å; S35-N39 PolarHBondContact O-ND2 3.48Å |
| 36 | T | 56.7 | Low | 65.8 | Low | 121 Ų | 121 | 105 Ų | 105 | 74% | 0.742 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -89.3 | -31.3 | 179.2 | 57.4 | 0 | 0 | 0 | 0 | 113 | F34 | F34-T36 VanDerWaalsContact C-N 3.26Å; F34-T36 PolarHBondContact O-N 3.45Å |
| 37 | S | 59.4 | Low | 66.8 | Low | 54 Ų | 54 | 103.2 Ų | 103.2 | 38% | 0.378 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -88.6 | -20.1 | 179.5 | 58 | 0 | 0 | 0 | 0 | 113.4 | F34 N39 V40 L41 | F34-S37 PolarHBondContact O-N 3.05Å; F34-S37 VanDerWaalsContact O-N 3.14Å; F34-S37 PolarHBondContact O-OG 3.15Å; S37-N39 VanDerWaalsContact C-N 3.35Å; S37-V40 PolarHBondContact O-N 3.13Å; S37-L41 PolarHBondContact O-N 3.43Å |
| 38 | Q | 62.1 | Low | 68.3 | Low | 84 Ų | 84 | 103.1 Ų | 103.1 | 39% | 0.393 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64 | -41.4 | 175.7 | 176.1 | 170.6 | 13.9 | 0 | 0 | 110.4 | F34 V40 L41 E42 | F34-Q38 HydrophobicContact CB-CB 4.49Å; F34-Q38 WeakPolarHBondContact O-CA 3.03Å; F34-Q38 WeakPolarHBondContact O-CB 3.08Å; F34-Q38 PolarHBondContact O-N 2.99Å; Q38-V40 VanDerWaalsContact C-N 3.29Å; Q38-V40 PolarHBondContact O-N 3.24Å; Q38-L41 PolarHBondContact O-N 3.48Å; Q38-E42 HydrophobicContact CG-CG 4.04Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.39Å; Q38-E42 PolarHBondContact NE2-OE1 3.12Å; Q38-E42 WeakPolarHBondContact O-CB 3.17Å; Q38-E42 WeakPolarHBondContact O-CG 3.49Å; Q38-E42 PolarHBondContact O-N 3.18Å |
| 39 | N | 63.6 | Low | 69.4 | Low | 88 Ų | 88 | 102.6 Ų | 102.6 | 47% | 0.471 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.3 | -41.1 | 175.8 | -71.5 | -76.4 | 0 | 0 | 0 | 111.5 | S35 S37 E42 D43 | S35-N39 PolarHBondContact O-ND2 3.48Å; S37-N39 VanDerWaalsContact C-N 3.35Å; N39-E42 PolarHBondContact O-N 2.78Å; N39-D43 WeakPolarHBondContact O-CB 3.46Å; N39-D43 PolarHBondContact O-N 3.29Å |
| 40 | V | 72.9 | Confident | 70.4 | Confident | 103 Ų | 103 | 99.5 Ų | 99.5 | 62% | 0.624 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.8 | -43.2 | 177.7 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | S37 Q38 S44 | S37-V40 PolarHBondContact O-N 3.13Å; Q38-V40 VanDerWaalsContact C-N 3.29Å; Q38-V40 PolarHBondContact O-N 3.24Å; V40-S44 WeakPolarHBondContact O-CB 3.21Å; V40-S44 PolarHBondContact O-N 2.84Å |
| 41 | L | 79.3 | Confident | 71.4 | Confident | 125 Ų | 125 | 100.9 Ų | 100.9 | 65% | 0.654 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.5 | -44.4 | 176.8 | -174 | 81.5 | 0 | 0 | 0 | 111.1 | S37 Q38 L45 | S37-L41 PolarHBondContact O-N 3.43Å; Q38-L41 PolarHBondContact O-N 3.48Å; L41-L45 WeakPolarHBondContact O-CB 3.42Å; L41-L45 PolarHBondContact O-N 2.81Å |
| 42 | E | 81 | Confident | 72.4 | Confident | 73 Ų | 73 | 106.4 Ų | 106.4 | 34% | 0.341 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.3 | -44.4 | 179.8 | -73.1 | 178.6 | -176.4 | 0 | 0 | 111.4 | Q38 N39 S44 L45 K46 | Q38-E42 HydrophobicContact CG-CG 4.04Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.39Å; Q38-E42 PolarHBondContact NE2-OE1 3.12Å; Q38-E42 WeakPolarHBondContact O-CB 3.17Å; Q38-E42 WeakPolarHBondContact O-CG 3.49Å; Q38-E42 PolarHBondContact O-N 3.18Å; N39-E42 PolarHBondContact O-N 2.78Å; E42-S44 VanDerWaalsContact C-N 3.34Å; E42-L45 PolarHBondContact O-N 2.95Å; E42-K46 VanDerWaalsContact C-CE 3.43Å; E42-K46 WeakPolarHBondContact O-CB 3.36Å; E42-K46 WeakPolarHBondContact O-CE 3.28Å; E42-K46 WeakPolarHBondContact O-CG 3.21Å; E42-K46 PolarHBondContact O-N 2.85Å |
| 43 | D | 82.2 | Confident | 73.2 | Confident | 90 Ų | 90 | 105.9 Ų | 105.9 | 48% | 0.481 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.3 | -40.8 | 176.4 | -69.8 | -17.4 | 0 | 0 | 0 | 111.6 | N39 K46 N47 | N39-D43 WeakPolarHBondContact O-CB 3.46Å; N39-D43 PolarHBondContact O-N 3.29Å; D43-K46 VanDerWaalsContact CA-CE 3.45Å; D43-K46 PolarHBondContact O-N 2.81Å; D43-K46 WeakPolarHBondContact OD1-CE 3.05Å; D43-K46 IonicContact OD1-NZ 2.69Å; D43-K46 PolarHBondContact OD1-NZ 3.11Å; D43-N47 VanDerWaalsContact O-CB 3.28Å; D43-N47 WeakPolarHBondContact O-CB 3.43Å; D43-N47 PolarHBondContact O-N 2.72Å |
| 44 | S | 86.1 | Confident | 74 | Confident | 68 Ų | 68 | 105.2 Ų | 105.2 | 48% | 0.476 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.9 | -44.4 | 173.4 | -173.1 | 0 | 0 | 0 | 0 | 111.9 | V40 E42 N47 M48 | V40-S44 WeakPolarHBondContact O-CB 3.21Å; V40-S44 PolarHBondContact O-N 2.84Å; E42-S44 VanDerWaalsContact C-N 3.34Å; S44-N47 WeakPolarHBondContact O-CB 3.28Å; S44-N47 PolarHBondContact O-N 3.12Å; S44-M48 WeakPolarHBondContact O-CG 3.18Å; S44-M48 PolarHBondContact O-N 3.04Å |
| 45 | L | 86.1 | Confident | 74.6 | Confident | 100 Ų | 100 | 107.9 Ų | 107.9 | 52% | 0.524 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.9 | -44.2 | 177.5 | -175.7 | 63.2 | 0 | 0 | 0 | 111.7 | L41 E42 N47 M48 L49 | L41-L45 WeakPolarHBondContact O-CB 3.42Å; L41-L45 PolarHBondContact O-N 2.81Å; E42-L45 PolarHBondContact O-N 2.95Å; L45-N47 PolarHBondContact O-N 3.05Å; L45-M48 PolarHBondContact O-N 3.31Å; L45-L49 HydrophobicContact CD1-CD1 4.27Å; L45-L49 HydrophobicContact CD1-CG 4.41Å; L45-L49 HydrophobicContact CG-CD1 4Å; L45-L49 WeakPolarHBondContact O-CB 3.19Å; L45-L49 WeakPolarHBondContact O-CG 3.33Å; L45-L49 PolarHBondContact O-N 2.78Å |
| 46 | K | 86.9 | Confident | 74.9 | Confident | 102 Ų | 102 | 111 Ų | 111 | 44% | 0.443 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -58.9 | -39.1 | 174.3 | -73.3 | 172.6 | -53.5 | -138.2 | 0 | 110.2 | E42 D43 L49 S50 | E42-K46 VanDerWaalsContact C-CE 3.43Å; E42-K46 WeakPolarHBondContact O-CB 3.36Å; E42-K46 WeakPolarHBondContact O-CE 3.28Å; E42-K46 WeakPolarHBondContact O-CG 3.21Å; E42-K46 PolarHBondContact O-N 2.85Å; D43-K46 VanDerWaalsContact CA-CE 3.45Å; D43-K46 PolarHBondContact O-N 2.81Å; D43-K46 WeakPolarHBondContact OD1-CE 3.05Å; D43-K46 IonicContact OD1-NZ 2.69Å; D43-K46 PolarHBondContact OD1-NZ 3.11Å; K46-L49 CarbonylContact O-C 3.58Å; K46-L49 PolarHBondContact O-N 2.95Å; K46-S50 WeakPolarHBondContact O-CA 3.17Å; K46-S50 WeakPolarHBondContact O-CB 2.95Å; K46-S50 PolarHBondContact O-N 3.31Å; K46-S50 PolarHBondContact O-OG 3.36Å |
| 47 | N | 82.3 | Confident | 74.9 | Confident | 111 Ų | 111 | 108.9 Ų | 108.9 | 59% | 0.594 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.1 | -49.5 | 175.9 | -172.9 | 52.7 | 0 | 0 | 0 | 112.3 | D43 S44 L45 L49 S50 D51 | D43-N47 VanDerWaalsContact O-CB 3.28Å; D43-N47 WeakPolarHBondContact O-CB 3.43Å; D43-N47 PolarHBondContact O-N 2.72Å; S44-N47 WeakPolarHBondContact O-CB 3.28Å; S44-N47 PolarHBondContact O-N 3.12Å; L45-N47 PolarHBondContact O-N 3.05Å; N47-L49 VanDerWaalsContact C-N 3.26Å; N47-L49 PolarHBondContact O-N 3.41Å; N47-S50 VanDerWaalsContact CA-OG 3.28Å; N47-S50 WeakPolarHBondContact CA-OG 3.21Å; N47-S50 PolarHBondContact O-N 3.28Å; N47-S50 PolarHBondContact O-OG 2.89Å; N47-D51 PolarHBondContact O-N 2.94Å; N47-D51 VanDerWaalsContact O-N 3.12Å |
| 48 | M | 85.1 | Confident | 74.8 | Confident | 143 Ų | 143 | 112 Ų | 112 | 70% | 0.704 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -60.1 | -34.5 | 175.6 | -70.3 | -173.9 | 71.5 | 0 | 0 | 113.1 | S44 L45 | S44-M48 WeakPolarHBondContact O-CG 3.18Å; S44-M48 PolarHBondContact O-N 3.04Å; L45-M48 PolarHBondContact O-N 3.31Å |
| 49 | L | 82.6 | Confident | 75 | Confident | 132 Ų | 132 | 113.1 Ų | 113.1 | 69% | 0.691 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -82.4 | -20.3 | 176.5 | -64.1 | 175.7 | 0 | 0 | 0 | 112.7 | L45 K46 N47 | L45-L49 HydrophobicContact CD1-CD1 4.27Å; L45-L49 HydrophobicContact CD1-CG 4.41Å; L45-L49 HydrophobicContact CG-CD1 4Å; L45-L49 WeakPolarHBondContact O-CB 3.19Å; L45-L49 WeakPolarHBondContact O-CG 3.33Å; L45-L49 PolarHBondContact O-N 2.78Å; K46-L49 CarbonylContact O-C 3.58Å; K46-L49 PolarHBondContact O-N 2.95Å; N47-L49 VanDerWaalsContact C-N 3.26Å; N47-L49 PolarHBondContact O-N 3.41Å |
| 50 | S | 79.4 | Confident | 74.8 | Confident | 61 Ų | 61 | 113.2 Ų | 113.2 | 43% | 0.427 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -88.6 | -8.9 | 179 | 74.7 | 0 | 0 | 0 | 0 | 113.6 | K46 N47 K52 | K46-S50 WeakPolarHBondContact O-CA 3.17Å; K46-S50 WeakPolarHBondContact O-CB 2.95Å; K46-S50 PolarHBondContact O-N 3.31Å; K46-S50 PolarHBondContact O-OG 3.36Å; N47-S50 VanDerWaalsContact CA-OG 3.28Å; N47-S50 WeakPolarHBondContact CA-OG 3.21Å; N47-S50 PolarHBondContact O-N 3.28Å; N47-S50 PolarHBondContact O-OG 2.89Å; S50-K52 VanDerWaalsContact C-N 3.25Å; S50-K52 WeakPolarHBondContact O-CG 3.06Å; S50-K52 PolarHBondContact O-N 2.83Å |
| 51 | D | 79.9 | Confident | 74.2 | Confident | 128 Ų | 128 | 116.7 Ų | 116.7 | 68% | 0.684 | 67% | 0.665 | S | S | * | * | | | trans | -58.7 | 93.6 | 177.5 | -152.9 | 6.3 | 0 | 0 | 0 | 108.4 | N47 D53 | N47-D51 PolarHBondContact O-N 2.94Å; N47-D51 VanDerWaalsContact O-N 3.12Å; D51-D53 PolarHBondContact O-N 3.18Å; D51-D53 VanDerWaalsContact O-N 3.11Å |
| 52 | K | 73.3 | Confident | 73.5 | Confident | 172 Ų | 172 | 118.4 Ų | 118.4 | 75% | 0.748 | 67% | 0.67 | S | S | * | * | | | trans | -81.3 | 94.3 | -176.4 | -85.1 | -88.5 | 174.8 | -75.8 | 0 | 104.4 | S50 P54 | S50-K52 VanDerWaalsContact C-N 3.25Å; S50-K52 WeakPolarHBondContact O-CG 3.06Å; S50-K52 PolarHBondContact O-N 2.83Å; K52-P54 WeakPolarHBondContact O-CD 3.15Å |
| 53 | D | 73.6 | Confident | 72.4 | Confident | 140 Ų | 140 | 123.3 Ų | 123.3 | 75% | 0.749 | 69% | 0.691 | S | S | * | * | | | trans | -42.7 | 113.7 | 168.4 | -70.2 | -47.2 | 0 | 0 | 0 | 109 | D51 M55 | D51-D53 PolarHBondContact O-N 3.18Å; D51-D53 VanDerWaalsContact O-N 3.11Å; D53-M55 VanDerWaalsContact C-N 3.28Å; D53-M55 PolarHBondContact O-N 2.98Å |
| 54 | P | 70.6 | Confident | 70.9 | Confident | 119 Ų | 119 | 124 Ų | 124 | 77% | 0.773 | 70% | 0.702 | S | S | * | * | | | trans | -66.9 | 98.2 | 171.4 | 24.6 | -29 | 0 | 0 | 0 | 106.9 | K52 L56 | K52-P54 WeakPolarHBondContact O-CD 3.15Å; P54-L56 VanDerWaalsContact C-N 3.33Å; P54-L56 PolarHBondContact O-N 3.28Å |
| 55 | M | 67.2 | Low | 69.5 | Low | 171 Ų | 171 | 128.7 Ų | 128.7 | 84% | 0.842 | 72% | 0.72 | S | S | * | * | | | trans | -66.6 | 93.4 | -179.1 | -161.6 | -171.3 | 74.9 | 0 | 0 | 108.8 | D53 G57 | D53-M55 VanDerWaalsContact C-N 3.28Å; D53-M55 PolarHBondContact O-N 2.98Å; M55-G57 PolarHBondContact O-N 2.85Å |
| 56 | L | 63 | Low | 68.1 | Low | 146 Ų | 146 | 128.7 Ų | 128.7 | 76% | 0.764 | 73% | 0.726 | S | S | * | * | | | trans | 33.7 | 83.9 | 146 | -72.9 | -85.8 | 0 | 0 | 0 | 112.5 | P54 S58 | P54-L56 VanDerWaalsContact C-N 3.33Å; P54-L56 PolarHBondContact O-N 3.28Å; L56-S58 PolarHBondContact O-N 3.45Å |
| 57 | G | 56.1 | Low | 66.7 | Low | 77 Ų | 77 | 130 Ų | 130 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | | | trans | -54 | 114.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | M55 A59 | M55-G57 PolarHBondContact O-N 2.85Å; G57-A59 PolarHBondContact O-N 2.8Å |
| 58 | S | 58.6 | Low | 65.2 | Low | 120 Ų | 120 | 130.6 Ų | 130.6 | 84% | 0.839 | 75% | 0.745 | S | S | * | * | | | trans | -47 | 100 | -175.6 | -50.9 | 0 | 0 | 0 | 0 | 113 | L56 S60 | L56-S58 PolarHBondContact O-N 3.45Å; S58-S60 VanDerWaalsContact C-N 3.26Å; S58-S60 PolarHBondContact O-N 2.95Å; S58-S60 VanDerWaalsContact O-N 3.12Å |
| 59 | A | 64.6 | Low | 63.8 | Low | 106 Ų | 106 | 130.5 Ų | 130.5 | 88% | 0.876 | 75% | 0.747 | S | S | * | * | | | trans | -82.5 | 74.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109 | G57 | G57-A59 PolarHBondContact O-N 2.8Š|
| 60 | S | 60 | Low | 62.5 | Low | 90 Ų | 90 | 128.3 Ų | 128.3 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | | | trans | -139.8 | 62.3 | 172.3 | -176.6 | 0 | 0 | 0 | 0 | 112.2 | S58 | S58-S60 VanDerWaalsContact C-N 3.26Å; S58-S60 PolarHBondContact O-N 2.95Å; S58-S60 VanDerWaalsContact O-N 3.12Å |
| 61 | N | 59.7 | Low | 61.5 | Low | 176 Ų | 176 | 133.4 Ų | 133.4 | 94% | 0.941 | 77% | 0.766 | S | S | * | * | | | trans | -112.1 | 20.8 | 154.2 | -76.8 | 3.7 | 0 | 0 | 0 | 111.6 | | |
| 62 | Q | 66.2 | Low | 60.4 | Low | 162 Ų | 162 | 131.6 Ų | 131.6 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | | | trans | -102.1 | 4.1 | -173.7 | -148.7 | -177.9 | 67.3 | 0 | 0 | 115.4 | | |
| 63 | F | 56.1 | Low | 59.7 | Low | 175 Ų | 175 | 129.1 Ų | 129.1 | 77% | 0.768 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -132.5 | 99 | 175.5 | -76.5 | -82.6 | 0 | 0 | 0 | 113.2 | | |
| 64 | C | 52.2 | Low | 58.9 | Low | 105 Ų | 105 | 129.1 Ų | 129.1 | 71% | 0.709 | 76% | 0.758 | S | S | * | * | | | trans | 72.1 | 81.7 | 140 | -55.6 | 0 | 0 | 0 | 0 | 118.1 | P66 | C64-P66 VanDerWaalsContact O-CD 3.28Å; C64-P66 WeakPolarHBondContact O-CD 3.38Å |
| 65 | L | 56.7 | Low | 58.2 | Low | 166 Ų | 166 | 131.1 Ų | 131.1 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | | | trans | -84.2 | 109.4 | 137.4 | -62.1 | -175.3 | 0 | 0 | 0 | 108.2 | V67 | L65-V67 PolarHBondContact O-N 3.29Š|
| 66 | P | 55.3 | Low | 57.5 | Low | 100 Ų | 100 | 131.1 Ų | 131.1 | 65% | 0.649 | 75% | 0.752 | S | S | * | * | | | trans | -73.5 | 103.4 | 152.4 | 29.4 | -27.3 | 0 | 0 | 0 | 106.9 | C64 L68 | C64-P66 VanDerWaalsContact O-CD 3.28Å; C64-P66 WeakPolarHBondContact O-CD 3.38Å; P66-L68 HydrophobicContact CB-CD1 4.18Å; P66-L68 PolarHBondContact O-N 2.95Å |
| 67 | V | 57.9 | Low | 57.4 | Low | 131 Ų | 131 | 132.3 Ų | 132.3 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | | | trans | -68.2 | 93.8 | 156.2 | 174.1 | 0 | 0 | 0 | 0 | 105.8 | L65 | L65-V67 PolarHBondContact O-N 3.29Š|
| 68 | L | 52.3 | Low | 57.3 | Low | 123 Ų | 123 | 133.7 Ų | 133.7 | 64% | 0.644 | 75% | 0.751 | S | S | * | * | | | trans | -105 | 84.2 | 165.1 | -95.7 | 149.6 | 0 | 0 | 0 | 106.8 | P66 S70 | P66-L68 HydrophobicContact CB-CD1 4.18Å; P66-L68 PolarHBondContact O-N 2.95Å; L68-S70 PolarHBondContact O-N 2.79Å; L68-S70 VanDerWaalsContact O-N 3.15Å |
| 69 | D | 53.8 | Low | 56.7 | Low | 140 Ų | 140 | 132.9 Ų | 132.9 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | | | trans | -72.5 | 89.4 | 153.7 | -179.6 | 18.2 | 0 | 0 | 0 | 106.9 | | |
| 70 | S | 56.4 | Low | 56.4 | Low | 87 Ų | 87 | 132.7 Ų | 132.7 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -164.1 | 120.9 | 165.4 | -78.1 | 0 | 0 | 0 | 0 | 108.8 | L68 D72 | L68-S70 PolarHBondContact O-N 2.79Å; L68-S70 VanDerWaalsContact O-N 3.15Å; S70-D72 VanDerWaalsContact C-N 3.28Å; S70-D72 PolarHBondContact O-N 3.48Å |
| 71 | N | 57.3 | Low | 56.1 | Low | 168 Ų | 168 | 134.2 Ų | 134.2 | 90% | 0.898 | 74% | 0.742 | S | S | * | * | | | trans | -59.5 | 70.6 | -177.8 | -85.7 | -95.9 | 0 | 0 | 0 | 113.7 | | |
| 72 | D | 57 | Low | 55.9 | Low | 90 Ų | 90 | 132.1 Ų | 132.1 | 48% | 0.481 | 73% | 0.727 | S | S | . | * | | | trans | -134 | 110.8 | 174.4 | -151.2 | -31.8 | 0 | 0 | 0 | 112.1 | S70 N74 F75 | S70-D72 VanDerWaalsContact C-N 3.28Å; S70-D72 PolarHBondContact O-N 3.48Å; D72-N74 PolarHBondContact O-N 3.28Å; D72-N74 VanDerWaalsContact O-N 3.09Å; D72-N74 PolarHBondContact OD1-N 2.98Å; D72-F75 HydrophobicContact CB-CD2 4.24Å |
| 73 | P | 59.3 | Low | 55.2 | Low | 119 Ų | 119 | 132.5 Ų | 132.5 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 1.2 | -177.3 | 28.4 | -34 | 0 | 0 | 0 | 114.3 | | |
| 74 | N | 57.3 | Low | 55.1 | Low | 140 Ų | 140 | 131 Ų | 131 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -9.4 | -179.2 | -90.7 | -75.5 | 0 | 0 | 0 | 115.7 | D72 Q76 | D72-N74 PolarHBondContact O-N 3.28Å; D72-N74 VanDerWaalsContact O-N 3.09Å; D72-N74 PolarHBondContact OD1-N 2.98Å; N74-Q76 VanDerWaalsContact C-N 3.34Å; N74-Q76 PolarHBondContact O-N 2.67Å |
| 75 | F | 55.2 | Low | 55.6 | Low | 161 Ų | 161 | 135.9 Ų | 135.9 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | | | trans | -97 | 40.4 | 178.9 | -69 | -76.1 | 0 | 0 | 0 | 113.5 | D72 M77 | D72-F75 HydrophobicContact CB-CD2 4.24Å; F75-M77 PolarHBondContact O-N 2.83Å |
| 76 | Q | 53 | Low | 55.7 | Low | 172 Ų | 172 | 132 Ų | 132 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | | | trans | -81.9 | 94.5 | 172.3 | -167.9 | 172.9 | 46 | 0 | 0 | 109.9 | N74 P78 | N74-Q76 VanDerWaalsContact C-N 3.34Å; N74-Q76 PolarHBondContact O-N 2.67Å; Q76-P78 WeakPolarHBondContact O-CD 2.93Å |
| 77 | M | 61 | Low | 55.7 | Low | 170 Ų | 170 | 134.3 Ų | 134.3 | 84% | 0.837 | 73% | 0.73 | S | S | * | * | | | trans | -81.9 | 113.9 | 162.3 | -74.3 | -59.3 | -63.9 | 0 | 0 | 108.5 | F75 C79 | F75-M77 PolarHBondContact O-N 2.83Å; M77-C79 PolarHBondContact O-N 3.36Å |
| 78 | P | 53.3 | Low | 56 | Low | 106 Ų | 106 | 140 Ų | 140 | 69% | 0.688 | 74% | 0.737 | S | S | * | * | | | trans | -70.1 | 119.3 | 179.3 | 26.9 | -31.8 | 0 | 0 | 0 | 109.7 | Q76 S80 | Q76-P78 WeakPolarHBondContact O-CD 2.93Å; P78-S80 PolarHBondContact O-N 2.8Å |
| 79 | C | 46.7 | Very low | 56.6 | Low | 104 Ų | 104 | 142.6 Ų | 142.6 | 70% | 0.703 | 75% | 0.746 | S | S | * | * | | | trans | -60.9 | 103.4 | 162.7 | -175 | 0 | 0 | 0 | 0 | 107.4 | M77 T81 | M77-C79 PolarHBondContact O-N 3.36Å; C79-T81 PolarHBondContact O-N 2.69Å |
| 80 | S | 57.4 | Low | 56.8 | Low | 101 Ų | 101 | 140.6 Ų | 140.6 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | | | trans | -75.7 | 72.2 | 177.9 | 177.5 | 0 | 0 | 0 | 0 | 110 | P78 | P78-S80 PolarHBondContact O-N 2.8Š|
| 81 | T | 53.9 | Low | 57 | Low | 122 Ų | 122 | 142.8 Ų | 142.8 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | trans | -108 | 22.3 | 171.8 | 42.9 | 0 | 0 | 0 | 0 | 112.9 | C79 | C79-T81 PolarHBondContact O-N 2.69Š|
| 82 | E | 55.8 | Low | 57.2 | Low | 133 Ų | 133 | 141.9 Ų | 141.9 | 62% | 0.621 | 75% | 0.746 | S | S | * | * | | | trans | -130.9 | 81.2 | -179 | -162.8 | 157.8 | -145.9 | 0 | 0 | 111.6 | R85 | E82-R85 IonicContact OE1-CZ 3.63Å; E82-R85 IonicContact OE1-NH2 3.69Å; E82-R85 PolarHBondContact OE1-NH2 3.14Å |
| 83 | Q | 51.1 | Low | 57.2 | Low | 170 Ų | 170 | 142.6 Ų | 142.6 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | | | trans | -164.5 | 34.2 | 164.5 | -110.3 | 173.3 | 121.9 | 0 | 0 | 115.1 | | |
| 84 | V | 53.8 | Low | 57.2 | Low | 143 Ų | 143 | 144.8 Ų | 144.8 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -101.1 | 8.4 | 177.4 | -164.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 85 | R | 63.1 | Low | 57.6 | Low | 208 Ų | 208 | 150.1 Ų | 150.1 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -109.8 | 4.3 | -177 | 42.7 | -171.4 | -177.6 | 88.1 | -0.1 | 116.4 | E82 | E82-R85 IonicContact OE1-CZ 3.63Å; E82-R85 IonicContact OE1-NH2 3.69Å; E82-R85 PolarHBondContact OE1-NH2 3.14Å |
| 86 | S | 58.1 | Low | 57.5 | Low | 85 Ų | 85 | 146.3 Ų | 146.3 | 59% | 0.594 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -110.2 | -7 | 177.5 | -171.6 | 0 | 0 | 0 | 0 | 115.5 | R88 | S86-R88 VanDerWaalsContact C-N 3.26Å; S86-R88 PolarHBondContact O-N 3.05Å |
| 87 | L | 56.5 | Low | 57.2 | Low | 148 Ų | 148 | 145.1 Ų | 145.1 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -65 | -27.3 | -173.3 | -174.9 | 58.3 | 0 | 0 | 0 | 113.4 | Q89 | L87-Q89 PolarHBondContact O-N 3.28Š|
| 88 | R | 64.5 | Low | 56.3 | Low | 249 Ų | 249 | 140.5 Ų | 140.5 | 94% | 0.94 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -84.2 | -3.5 | -173.8 | -67.1 | -158.3 | -174.9 | 163.9 | 3.1 | 116.3 | S86 | S86-R88 VanDerWaalsContact C-N 3.26Å; S86-R88 PolarHBondContact O-N 3.05Å |
| 89 | Q | 64.8 | Low | 56.2 | Low | 178 Ų | 178 | 139.5 Ų | 139.5 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -105.1 | 4.9 | 176.1 | -68.9 | -157.1 | -14.1 | 0 | 0 | 114.4 | L87 T91 | L87-Q89 PolarHBondContact O-N 3.28Å; Q89-T91 PolarHBondContact O-N 2.96Å |
| 90 | S | 57.2 | Low | 56.4 | Low | 99 Ų | 99 | 141.6 Ų | 141.6 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | trans | -81.7 | 66.4 | 177.6 | -60 | 0 | 0 | 0 | 0 | 111.5 | | |
| 91 | T | 60.6 | Low | 56.3 | Low | 133 Ų | 133 | 145 Ų | 145 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | | | trans | -117.2 | 86.5 | 159.6 | 52.4 | 0 | 0 | 0 | 0 | 108.1 | Q89 | Q89-T91 PolarHBondContact O-N 2.96Š|
| 92 | I | 61.7 | Low | 55.9 | Low | 148 Ų | 148 | 144.3 Ų | 144.3 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | | | trans | -130.9 | 108.5 | 166.9 | -148.7 | 156.3 | 0 | 0 | 0 | 109.6 | K94 | I92-K94 PolarHBondContact O-N 3.26Å; I92-K94 VanDerWaalsContact O-N 3.14Å |
| 93 | A | 57.4 | Low | 55.4 | Low | 105 Ų | 105 | 143.4 Ų | 143.4 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | | | trans | -57.1 | 115.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 94 | K | 59.8 | Low | 55.1 | Low | 165 Ų | 165 | 145.1 Ų | 145.1 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | | | trans | -134 | 88.9 | 171.6 | -158.2 | 163.8 | 178.1 | 175.6 | 0 | 110.2 | I92 S96 | I92-K94 PolarHBondContact O-N 3.26Å; I92-K94 VanDerWaalsContact O-N 3.14Å; K94-S96 WeakPolarHBondContact CG-OG 2.96Å; K94-S96 PolarHBondContact O-N 3.31Å |
| 95 | R | 64.6 | Low | 54.9 | Low | 252 Ų | 252 | 148.2 Ų | 148.2 | 95% | 0.951 | 78% | 0.784 | S | S | * | * | | | trans | -66.7 | 106.2 | 155 | -51.5 | 175.4 | 81.8 | -172.3 | 7.2 | 106.3 | | |
| 96 | S | 52.4 | Low | 54.1 | Low | 81 Ų | 81 | 143.9 Ų | 143.9 | 57% | 0.566 | 78% | 0.782 | S | S | * | * | | | trans | 165.4 | 140.8 | 163.8 | 56.4 | 0 | 0 | 0 | 0 | 107 | K94 | K94-S96 WeakPolarHBondContact CG-OG 2.96Å; K94-S96 PolarHBondContact O-N 3.31Å |
| 97 | N | 47.5 | Very low | 53.3 | Low | 147 Ų | 147 | 146 Ų | 146 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | | | cis | -179.8 | 147.4 | 6.2 | 170.2 | 26.8 | 0 | 0 | 0 | 104.7 | | |
| 98 | A | 43 | Very low | 52.5 | Low | 73 Ų | 73 | 142.4 Ų | 142.4 | 60% | 0.603 | 80% | 0.796 | S | S | * | * | | | trans | 41.3 | 114 | 154.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 99 | A | 50.1 | Low | 51.9 | Low | 86 Ų | 86 | 140.2 Ų | 140.2 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | | | | 14.5 | 122.6 | 128.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 100 | T | 50.5 | Low | 50.6 | Low | 148 Ų | 148 | 138 Ų | 138 | 91% | 0.908 | 79% | 0.792 | S | S | * | * | | | trans | -127.3 | 86.8 | 143.7 | 36.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 101 | L | 55.6 | Low | 50.1 | Low | 172 Ų | 172 | 141.5 Ų | 141.5 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | | | trans | -68.8 | 129.8 | 164.2 | -73.4 | 169.6 | 0 | 0 | 0 | 108.4 | T103 | L101-T103 PolarHBondContact O-N 2.92Š|
| 102 | S | 46.4 | Very low | 49.2 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | | | trans | -52.3 | 122.9 | 175.9 | 170.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 103 | T | 44.9 | Very low | 48.5 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | | | trans | 19.1 | 112 | 148.2 | 64.3 | 0 | 0 | 0 | 0 | 120 | L101 | L101-T103 PolarHBondContact O-N 2.92Š|
| 104 | K | 44.3 | Very low | 47.5 | Very low | 207 Ų | 207 | 140.8 Ų | 140.8 | 90% | 0.9 | 80% | 0.804 | S | S | * | * | | | | 167.1 | 121.5 | 120 | -89.4 | 171.7 | -179.4 | 179.1 | 0 | 110.4 | | |
| 105 | K | 50.3 | Low | 46.8 | Very low | 208 Ų | 208 | 141.7 Ų | 141.7 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | | | trans | -89.8 | 164.7 | 162.3 | -91.1 | -175.8 | 176.9 | 174.5 | 0 | 108.4 | | |
| 106 | P | 45.8 | Very low | 45.4 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | | | cis | -142.9 | -177.9 | 26 | 39.3 | -18.6 | 0 | 0 | 0 | 116.7 | | |
| 107 | S | 41.8 | Very low | 44.6 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | | | trans | 89.1 | 123.9 | 151.7 | -157 | 0 | 0 | 0 | 0 | 118.1 | | |
| 108 | G | 40 | Very low | 44.3 | Very low | 73 Ų | 73 | 135.6 Ų | 135.6 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | | | trans | 139 | 101.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 109 | K | 51.2 | Low | 44.5 | Very low | 204 Ų | 204 | 141 Ų | 141 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | | | trans | -65 | 146.2 | 169.3 | -49.4 | 172.2 | -176.2 | 178.6 | 0 | 108.3 | | |
| 110 | T | 37.5 | Very low | 44.5 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 80% | 0.798 | 83% | 0.831 | S | S | * | * | | | trans | 167.4 | 125.9 | 134.9 | -69.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 111 | L | 47.6 | Very low | 44.6 | Very low | 173 Ų | 173 | 140.7 Ų | 140.7 | 91% | 0.906 | 82% | 0.824 | S | S | * | * | | | trans | -68.1 | 138 | 161.6 | -72.8 | 88.6 | 0 | 0 | 0 | 109.6 | | |
| 112 | S | 41.5 | Very low | 44.2 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | trans | -163.9 | 118.4 | 149.4 | 61.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 113 | T | 46.4 | Very low | 44.3 | Very low | 132 Ų | 132 | 143.7 Ų | 143.7 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | | | trans | -78.6 | 151.6 | 159.3 | 51 | 0 | 0 | 0 | 0 | 110 | | |
| 114 | S | 37.5 | Very low | 44.1 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | | | trans | 158.3 | 161.5 | 148.6 | -76.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 115 | K | 44 | Very low | 43.8 | Very low | 185 Ų | 185 | 143.7 Ų | 143.7 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | | | cis | 171.3 | 130.4 | -40.2 | 179.9 | 170.8 | 178.5 | 179.9 | 0 | 104.8 | | |
| 116 | V | 34.8 | Very low | 43.3 | Very low | 134 Ų | 134 | 137.1 Ų | 137.1 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | | | trans | 62.2 | 134.1 | 149.8 | 172.1 | 0 | 0 | 0 | 0 | 121.8 | | |
| 117 | G | 36.4 | Very low | 43.2 | Very low | 66 Ų | 66 | 141 Ų | 141 | 68% | 0.68 | 82% | 0.816 | S | S | * | * | | | | 128.3 | 104.4 | 127.2 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 118 | V | 41.3 | Very low | 43 | Very low | 151 Ų | 151 | 142.9 Ų | 142.9 | 92% | 0.915 | 81% | 0.81 | S | S | * | * | | | | 60.4 | 143.3 | 126 | -174.5 | 0 | 0 | 0 | 0 | 124.7 | | |
| 119 | K | 47 | Very low | 43.3 | Very low | 188 Ų | 188 | 147.2 Ų | 147.2 | 82% | 0.817 | 81% | 0.811 | S | S | * | * | | | trans | -58 | -175.7 | -174 | -59.3 | -177.6 | 169.6 | 173.6 | 0 | 120.7 | | |
| 120 | P | 50.7 | Low | 42.6 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | | | | -148.6 | -175.6 | 107.6 | 35.5 | -14.7 | 0 | 0 | 0 | 118.3 | | |
| 121 | A | 52 | Low | 42.8 | Very low | 91 Ų | 91 | 148.5 Ų | 148.5 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | | | trans | -137.1 | -172.9 | -155.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 122 | E | 46.8 | Very low | 42.5 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | | | trans | 87.2 | 149 | 161.7 | -76.6 | -162.1 | 118 | 0 | 0 | 120.5 | | |
| 123 | R | 47.7 | Very low | 43 | Very low | 192 Ų | 192 | 144.2 Ų | 144.2 | 73% | 0.725 | 80% | 0.803 | S | S | * | * | | | cis | -164.8 | 139.4 | 22.8 | -122.6 | -178.9 | -170.2 | 82.9 | 16.2 | 109.8 | | |
| 124 | C | 41.5 | Very low | 43.1 | Very low | 116 Ų | 116 | 146 Ų | 146 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | | | | 76.3 | 134.9 | 88.9 | -66.6 | 0 | 0 | 0 | 0 | 121.6 | | |
| 125 | Q | 38.1 | Very low | 43.3 | Very low | 205 Ų | 205 | 148.9 Ų | 148.9 | 96% | 0.958 | 80% | 0.804 | S | S | * | * | | | trans | 133.4 | 138.2 | 149.1 | -73.2 | -175 | 19.1 | 0 | 0 | 112.6 | | |
| 126 | G | 39.5 | Very low | 43.7 | Very low | 69 Ų | 69 | 145 Ų | 145 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | | | cis | 144.7 | 106.2 | 0.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 127 | K | 43.1 | Very low | 43.9 | Very low | 200 Ų | 200 | 147 Ų | 147 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | | | trans | 62.2 | 131.7 | 149.6 | -48.5 | -175.4 | -179.4 | -175.6 | 0 | 122.9 | | |
| 128 | E | 39.4 | Very low | 44.4 | Very low | 166 Ų | 166 | 152.4 Ų | 152.4 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | | | | 140.2 | 146.6 | 111.4 | -156.7 | 154.9 | 124 | 0 | 0 | 115.7 | | |
| 129 | E | 44.9 | Very low | 44.7 | Very low | 165 Ų | 165 | 150 Ų | 150 | 77% | 0.771 | 80% | 0.795 | S | S | * | * | | | trans | -37.9 | 157.5 | -174.3 | -64.6 | 169.9 | 131.6 | 0 | 0 | 119 | | |
| 130 | V | 37.8 | Very low | 44.8 | Very low | 141 Ų | 141 | 150.6 Ų | 150.6 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | | | | -172.6 | 126.4 | 109.1 | 154 | 0 | 0 | 0 | 0 | 110.1 | | |
| 131 | Y | 41.2 | Very low | 44.8 | Very low | 220 Ų | 220 | 150.9 Ų | 150.9 | 86% | 0.863 | 79% | 0.787 | S | S | * | * | | | trans | -63.2 | 131.2 | 175.1 | -137.9 | -106.1 | 0 | 0 | 0 | 111.5 | | |
| 132 | A | 41.4 | Very low | 44.9 | Very low | 101 Ų | 101 | 152.5 Ų | 152.5 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | -157.1 | 99.6 | 151.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 133 | S | 52.2 | Low | 45.8 | Very low | 97 Ų | 97 | 154.3 Ų | 154.3 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | | | trans | -74.2 | 126.9 | 167.8 | 177.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 134 | L | 48.2 | Very low | 46.5 | Very low | 169 Ų | 169 | 156.8 Ų | 156.8 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | | | trans | -148.5 | 97.5 | 158.8 | -77.4 | 179.6 | 0 | 0 | 0 | 112.2 | | |
| 135 | K | 40.5 | Very low | 47.3 | Very low | 185 Ų | 185 | 156.3 Ų | 156.3 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | 23.1 | 126.5 | 145 | -62.3 | -160.3 | -170.4 | -179.2 | 0 | 122.8 | | |
| 136 | S | 52.3 | Low | 48 | Very low | 102 Ų | 102 | 150.3 Ų | 150.3 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | | | | 45 | 137.6 | 126.2 | 73.9 | 0 | 0 | 0 | 0 | 122.3 | | |
| 137 | E | 39.4 | Very low | 49.2 | Very low | 177 Ų | 177 | 157.6 Ų | 157.6 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | | | | -173.5 | 122.3 | 124.6 | -160.8 | 160.3 | 135.7 | 0 | 0 | 110.7 | | |
| 138 | H | 46.6 | Very low | 49.5 | Very low | 179 Ų | 179 | 157.6 Ų | 157.6 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | | | trans | -90.5 | 143.6 | 160.1 | -26 | -87.9 | 0 | 0 | 0 | 107 | | |
| 139 | P | 48.2 | Very low | 49.9 | Very low | 102 Ų | 102 | 153.5 Ų | 153.5 | 66% | 0.662 | 80% | 0.797 | S | S | * | * | | | | -157.6 | 157 | 104.8 | 36 | -16.2 | 0 | 0 | 0 | 117.8 | | |
| 140 | K | 49.6 | Very low | 49.8 | Very low | 200 Ų | 200 | 155 Ų | 155 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | | | | 129.6 | 97.9 | 119.4 | -108.8 | 166.6 | -175.3 | 175.3 | 0 | 116.8 | | |
| 141 | E | 50.7 | Low | 49.7 | Very low | 142 Ų | 142 | 157 Ų | 157 | 66% | 0.664 | 80% | 0.804 | S | S | * | * | | | trans | -49.7 | 131.3 | 156.6 | -179.5 | -159.5 | 159.4 | 0 | 0 | 112.3 | R143 | E141-R143 HydrophobicContact CG-CG 4.18Å; E141-R143 WeakPolarHBondContact OE1-CG 3.2Å; E141-R143 IonicContact OE1-CZ 3.69Å; E141-R143 IonicContact OE1-NE 3.45Å; E141-R143 PolarHBondContact OE1-NE 3.44Å; E141-R143 IonicContact OE1-NH2 2.67Å; E141-R143 IonicContact OE2-NE 2.81Å; E141-R143 IonicContact OE2-NH2 3.69Å |
| 142 | S | 53.7 | Low | 49.6 | Very low | 125 Ų | 125 | 154.4 Ų | 154.4 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | | | trans | -107.2 | 100.8 | 171.5 | -169.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 143 | R | 66.6 | Low | 49.5 | Very low | 188 Ų | 188 | 156.3 Ų | 156.3 | 71% | 0.709 | 80% | 0.798 | S | S | * | * | | | trans | -76.6 | 144.2 | 178.3 | -66.7 | -178.1 | 177 | -176.8 | 2.5 | 112.1 | E141 | E141-R143 HydrophobicContact CG-CG 4.18Å; E141-R143 WeakPolarHBondContact OE1-CG 3.2Å; E141-R143 IonicContact OE1-CZ 3.69Å; E141-R143 IonicContact OE1-NE 3.45Å; E141-R143 PolarHBondContact OE1-NE 3.44Å; E141-R143 IonicContact OE1-NH2 2.67Å; E141-R143 IonicContact OE2-NE 2.81Å; E141-R143 IonicContact OE2-NH2 3.69Å |
| 144 | R | 60.8 | Low | 48.8 | Very low | 244 Ų | 244 | 157.4 Ų | 157.4 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | | | trans | -166.8 | 94.1 | 142.1 | -97.1 | 160.1 | -162.9 | -156.6 | 5.2 | 106.3 | | |
| 145 | S | 59.7 | Low | 48.3 | Very low | 105 Ų | 105 | 153.3 Ų | 153.3 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | | 64.8 | 114 | 75 | -171.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 146 | G | 52.7 | Low | 48.8 | Very low | 79 Ų | 79 | 149.7 Ų | 149.7 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | | | trans | -174.9 | 93.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 147 | R | 63.3 | Low | 48.1 | Very low | 223 Ų | 223 | 152.7 Ų | 152.7 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | | | trans | -75.9 | 144.9 | -175.2 | -67.3 | 175.4 | -92.9 | -134.7 | -2.8 | 111.4 | | |
| 148 | H | 51.2 | Low | 47.9 | Very low | 200 Ų | 200 | 149.9 Ų | 149.9 | 93% | 0.926 | 78% | 0.784 | S | S | * | * | | | | -152 | 135.2 | 118.2 | -115.2 | -85.7 | 0 | 0 | 0 | 109.3 | | |
| 149 | A | 47.3 | Very low | 47.4 | Very low | 80 Ų | 80 | 147.1 Ų | 147.1 | 66% | 0.661 | 78% | 0.784 | S | S | * | * | | | trans | -115.6 | 154.8 | -168.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 150 | E | 42.7 | Very low | 46.9 | Very low | 195 Ų | 195 | 146.4 Ų | 146.4 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | | | trans | 66.9 | 127.5 | 160.8 | -55.6 | -168.1 | 139.8 | 0 | 0 | 116.4 | | |
| 151 | Q | 36.1 | Very low | 46.6 | Very low | 183 Ų | 183 | 142.2 Ų | 142.2 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | | | | -171.6 | 114.2 | 78 | -178.6 | 173.1 | -16.7 | 0 | 0 | 109 | | |
| 152 | M | 38.3 | Very low | 46.1 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 82% | 0.823 | 79% | 0.793 | S | S | * | * | | | | 60.2 | 105.5 | 104.4 | -170.9 | 80.9 | 115.6 | 0 | 0 | 116.3 | | |
| 153 | D | 38.5 | Very low | 45.8 | Very low | 140 Ų | 140 | 141 Ų | 141 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | | | trans | 58.3 | 145.3 | 131 | -148.5 | -135.4 | 0 | 0 | 0 | 122.5 | | |
| 154 | V | 38.4 | Very low | 44.6 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | | | trans | 88.9 | 104.9 | 161.5 | -169.3 | 0 | 0 | 0 | 0 | 118.1 | | |
| 155 | A | 36.9 | Very low | 43.7 | Very low | 82 Ų | 82 | 133.1 Ų | 133.1 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | | | trans | -74.8 | 176.9 | 153.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 156 | P | 51.5 | Low | 43.3 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | | | cis | -142.1 | -170.6 | -0.5 | 35.7 | -11.6 | 0 | 0 | 0 | 114.2 | | |
| 157 | E | 36.8 | Very low | 42.8 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 77% | 0.771 | 79% | 0.789 | S | S | * | * | | | trans | 84.6 | 119.2 | 154.4 | -58.6 | -76 | 109.4 | 0 | 0 | 121.3 | | |
| 158 | V | 36.1 | Very low | 42.1 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | | | trans | 57.6 | 116.9 | 138.2 | -167.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 159 | S | 36.2 | Very low | 41.9 | Very low | 120 Ų | 120 | 126.9 Ų | 126.9 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | | | | 172.1 | 157.2 | 123 | -80.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 160 | A | 37.5 | Very low | 41.3 | Very low | 87 Ų | 87 | 128.9 Ų | 128.9 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | | | trans | -68.3 | 160.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 161 | S | 42.9 | Very low | 41.4 | Very low | 112 Ų | 112 | 124.3 Ų | 124.3 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | trans | 52.3 | 125.2 | 151 | 70.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 162 | S | 41.2 | Very low | 41.4 | Very low | 125 Ų | 125 | 119.2 Ų | 119.2 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | trans | -154.5 | 128.7 | 139.8 | -156.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 163 | V | 46.2 | Very low | 41.9 | Very low | 116 Ų | 116 | 120.3 Ų | 120.3 | 70% | 0.703 | 78% | 0.783 | S | S | * | * | | | trans | -92 | 158 | 177.4 | -142.9 | 0 | 0 | 0 | 0 | 108 | | |
| 164 | D | 42.1 | Very low | 42.4 | Very low | 155 Ų | 155 | 123.5 Ų | 123.5 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | | | trans | 105.9 | 139.3 | 157.3 | -56.8 | -45.8 | 0 | 0 | 0 | 119.2 | | |
| 165 | S | 42.6 | Very low | 42.5 | Very low | 113 Ų | 113 | 126.4 Ų | 126.4 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | 96.2 | 113.8 | 170.6 | -155.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 166 | S | 50.5 | Low | 43.1 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | | | cis | -159.4 | 140.6 | 15.5 | -93.4 | 0 | 0 | 0 | 0 | 111 | | |
| 167 | V | 42.9 | Very low | 42.8 | Very low | 147 Ų | 147 | 129.7 Ų | 129.7 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | | | trans | -72.5 | 130.3 | 162.9 | -89.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 168 | S | 48.9 | Very low | 43.1 | Very low | 117 Ų | 117 | 131 Ų | 131 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -135.9 | 91 | 147.7 | 69.1 | 0 | 0 | 0 | 0 | 107.1 | | |
| 169 | S | 45.3 | Very low | 43.5 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | | | | 84.9 | 104 | 85.3 | -172.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 170 | C | 36.3 | Very low | 44.2 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | | | trans | 63.2 | 146.8 | 146.1 | -63.5 | 0 | 0 | 0 | 0 | 119.3 | | |
| 171 | A | 44.9 | Very low | 44.8 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | | | cis | 178.3 | 143.8 | -19 | 0 | 0 | 0 | 0 | 0 | 105.4 | | |
| 172 | G | 35.8 | Very low | 45 | Very low | 77 Ų | 77 | 139.6 Ų | 139.6 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | | | trans | 107.2 | 124 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 173 | M | 47.5 | Very low | 45.6 | Very low | 190 Ų | 190 | 141.9 Ų | 141.9 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | | | cis | -156.7 | 147.6 | 28.3 | 51.1 | -152.2 | 159.3 | 0 | 0 | 109.5 | | |
| 174 | K | 49.8 | Very low | 45.8 | Very low | 207 Ų | 207 | 140.7 Ų | 140.7 | 90% | 0.9 | 80% | 0.804 | S | S | * | * | | | trans | -60.1 | 141.5 | 172.5 | -66 | 169.5 | 167.3 | -174.4 | 0 | 110.8 | | |
| 175 | E | 40.5 | Very low | 46 | Very low | 181 Ų | 181 | 137.2 Ų | 137.2 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | | | trans | -156.2 | 105.5 | 137.7 | -162.4 | 166.1 | 158.5 | 0 | 0 | 109.1 | | |
| 176 | E | 49.1 | Very low | 46.6 | Very low | 197 Ų | 197 | 137.8 Ų | 137.8 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | | | trans | -74.9 | 124.3 | 158.6 | -75.6 | -154.4 | 139.5 | 0 | 0 | 107.9 | | |
| 177 | A | 45.8 | Very low | 47 | Very low | 63 Ų | 63 | 139.4 Ų | 139.4 | 52% | 0.521 | 79% | 0.786 | S | S | . | * | | | trans | -143.3 | 102.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | F179 | A177-F179 PolarHBondContact O-N 3.23Š|
| 178 | E | 43.5 | Very low | 47.3 | Very low | 192 Ų | 192 | 140.4 Ų | 140.4 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | | | trans | -43.8 | 117.6 | 162.7 | -176.1 | 167.5 | -178.3 | 0 | 0 | 110.6 | D180 | E178-D180 PolarHBondContact O-N 3.42Š|
| 179 | F | 43.4 | Very low | 47.7 | Very low | 202 Ų | 202 | 138.7 Ų | 138.7 | 89% | 0.886 | 78% | 0.781 | S | S | * | * | | | trans | -83.5 | 102.3 | 175.1 | -71.4 | -79.6 | 0 | 0 | 0 | 109.5 | A177 | A177-F179 PolarHBondContact O-N 3.23Š|
| 180 | D | 52.4 | Low | 48.1 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | | | trans | -95.1 | 113.3 | 159.9 | 177.3 | 34.8 | 0 | 0 | 0 | 109.6 | E178 K182 | E178-D180 PolarHBondContact O-N 3.42Å; D180-K182 PolarHBondContact O-N 3.32Å; D180-K182 WeakPolarHBondContact OD2-CG 3.37Å |
| 181 | P | 48.8 | Very low | 49.1 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | trans | -95.4 | 84.2 | 171.2 | 34.6 | -27.1 | 0 | 0 | 0 | 110.2 | | |
| 182 | K | 48.2 | Very low | 49.4 | Very low | 179 Ų | 179 | 144.4 Ų | 144.4 | 78% | 0.778 | 78% | 0.781 | S | S | * | * | | | trans | -94 | 80.8 | 159.5 | -73.9 | -86 | -178.2 | 176.9 | 0 | 109.5 | D180 A184 | D180-K182 PolarHBondContact O-N 3.32Å; D180-K182 WeakPolarHBondContact OD2-CG 3.37Å; K182-A184 PolarHBondContact O-N 3.2Å |
| 183 | H | 52.3 | Low | 50.2 | Low | 172 Ų | 172 | 146 Ų | 146 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | | | trans | -74.2 | 94.9 | 170.2 | -177.8 | -87.2 | 0 | 0 | 0 | 110 | C185 | H183-C185 PolarHBondContact O-N 3.26Š|
| 184 | A | 51.1 | Low | 51 | Low | 91 Ų | 91 | 142.7 Ų | 142.7 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | | | trans | -75.4 | 104.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | K182 N186 | K182-A184 PolarHBondContact O-N 3.2Å; A184-N186 PolarHBondContact O-N 3.23Å |
| 185 | C | 46.3 | Very low | 51.7 | Low | 82 Ų | 82 | 138 Ų | 138 | 55% | 0.554 | 76% | 0.76 | S | S | * | * | | | trans | -59.3 | 114.9 | 167.5 | 151.1 | 0 | 0 | 0 | 0 | 109.5 | H183 N187 | H183-C185 PolarHBondContact O-N 3.26Å; C185-N187 PolarHBondContact SG-ND2 3.29Å |
| 186 | N | 55.6 | Low | 52.4 | Low | 125 Ų | 125 | 135 Ų | 135 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | | | trans | -107.2 | 94.6 | 171.2 | -160.1 | -9.2 | 0 | 0 | 0 | 109 | A184 Q188 | A184-N186 PolarHBondContact O-N 3.23Å; N186-Q188 PolarHBondContact O-N 3.07Å; N186-Q188 WeakPolarHBondContact OD1-CG 3.42Å |
| 187 | N | 57.9 | Low | 52.9 | Low | 143 Ų | 143 | 135 Ų | 135 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | | | trans | -85.3 | 89.3 | 168.3 | -70.6 | -43 | 0 | 0 | 0 | 107.8 | C185 G189 | C185-N187 PolarHBondContact SG-ND2 3.29Å; N187-G189 PolarHBondContact O-N 3.32Å |
| 188 | Q | 50.3 | Low | 53.5 | Low | 168 Ų | 168 | 139.8 Ų | 139.8 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | trans | -77.9 | 100.7 | 165.8 | -63.3 | -159.9 | 87 | 0 | 0 | 107.7 | N186 E190 | N186-Q188 PolarHBondContact O-N 3.07Å; N186-Q188 WeakPolarHBondContact OD1-CG 3.42Å; Q188-E190 PolarHBondContact O-N 3.43Å |
| 189 | G | 57.4 | Low | 53.8 | Low | 81 Ų | 81 | 142.2 Ų | 142.2 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | | | trans | -68.6 | 107.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | N187 | N187-G189 PolarHBondContact O-N 3.32Š|
| 190 | E | 52.7 | Low | 54.4 | Low | 177 Ų | 177 | 139.3 Ų | 139.3 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | | | trans | -107 | 91.6 | 168.2 | -151.9 | -177.5 | 155.4 | 0 | 0 | 108.1 | Q188 | Q188-E190 PolarHBondContact O-N 3.43Š|
| 191 | V | 56.9 | Low | 54.5 | Low | 131 Ų | 131 | 140.3 Ų | 140.3 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | | | trans | -94.6 | 111.5 | 158.7 | 111.2 | 0 | 0 | 0 | 0 | 105.5 | | |
| 192 | N | 52.5 | Low | 54.8 | Low | 136 Ų | 136 | 141.4 Ų | 141.4 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -134.5 | 105.4 | 163.4 | -137.4 | -50 | 0 | 0 | 0 | 108.4 | | |
| 193 | V | 52.8 | Low | 55.2 | Low | 111 Ų | 111 | 139.2 Ų | 139.2 | 67% | 0.673 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 120 | 177.1 | 176 | 0 | 0 | 0 | 0 | 106.8 | S195 | V193-S195 PolarHBondContact O-N 3.35Š|
| 194 | P | 64.4 | Low | 55.3 | Low | 119 Ų | 119 | 137.2 Ų | 137.2 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71 | 126.7 | 171 | -14.1 | 29.1 | 0 | 0 | 0 | 109.7 | | |
| 195 | S | 63.6 | Low | 55.6 | Low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 145.1 | 168.6 | -61.3 | 0 | 0 | 0 | 0 | 109.8 | V193 | V193-S195 PolarHBondContact O-N 3.35Š|
| 196 | P | 56.3 | Low | 56.3 | Low | 119 Ų | 119 | 144.4 Ų | 144.4 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 127.1 | 172.4 | 30.7 | -30.3 | 0 | 0 | 0 | 110.7 | | |
| 197 | E | 58.5 | Low | 56.4 | Low | 198 Ų | 198 | 145.9 Ų | 145.9 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 136.3 | 165.4 | -68.8 | -179.1 | 143.1 | 0 | 0 | 109.5 | | |
| 198 | L | 57.9 | Low | 56.2 | Low | 162 Ų | 162 | 146.2 Ų | 146.2 | 85% | 0.848 | 84% | 0.835 | S | S | * | * | | | trans | -113.1 | 112.2 | 167.6 | -70.3 | 175.3 | 0 | 0 | 0 | 107.2 | | |
| 199 | D | 51.4 | Low | 56.8 | Low | 244 Ų | 244 | 144.2 Ų | 144.2 | 100% | 1.305 | 84% | 0.84 | S | S | * | * | | | trans | -148 | 0 | 152.9 | -91.8 | -45.6 | 0 | 0 | 0 | 109 | | |