| 1 | M | 36.8 | Very low | 61.5 | Low | 235 Ų | 235 | 146.9 Ų | 146.9 | 100% | 1.158 | 75% | 0.75 | S | S | * | * | | | | 0 | 160.3 | 0 | -56.6 | 179.9 | -165.3 | 0 | 0 | 107.5 | | |
| 2 | A | 50.9 | Low | 63.1 | Low | 98 Ų | 98 | 145.3 Ų | 145.3 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | | | trans | -94 | 97 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | T4 | A2-T4 PolarHBondContact O-N 3.39Å; A2-T4 VanDerWaalsContact O-N 3.11Å |
| 3 | E | 54 | Low | 64.3 | Low | 185 Ų | 185 | 142.5 Ų | 142.5 | 86% | 0.864 | 72% | 0.715 | S | S | * | * | | | trans | -65.6 | 108.9 | 173.9 | -73 | 164.6 | -154 | 0 | 0 | 108.6 | E5 | E3-E5 PolarHBondContact O-N 3.32Š|
| 4 | T | 51.8 | Low | 65.5 | Low | 118 Ų | 118 | 135.3 Ų | 135.3 | 72% | 0.724 | 69% | 0.688 | S | S | * | * | | | trans | -71.5 | 97.4 | 171.4 | 47.4 | 0 | 0 | 0 | 0 | 107.8 | A2 E6 | A2-T4 PolarHBondContact O-N 3.39Å; A2-T4 VanDerWaalsContact O-N 3.11Å; T4-E6 VanDerWaalsContact C-N 3.32Å; T4-E6 WeakPolarHBondContact O-CG 3.26Å; T4-E6 PolarHBondContact O-N 3.34Å |
| 5 | E | 61.8 | Low | 66 | Low | 174 Ų | 174 | 137.3 Ų | 137.3 | 81% | 0.813 | 69% | 0.69 | S | S | * | * | | | trans | -53.4 | 96.3 | 174 | -172.2 | -174.5 | -169 | 0 | 0 | 109.1 | E3 R7 | E3-E5 PolarHBondContact O-N 3.32Å; E5-R7 PolarHBondContact O-N 2.68Å |
| 6 | E | 57.7 | Low | 66.6 | Low | 167 Ų | 167 | 137.4 Ų | 137.4 | 78% | 0.78 | 68% | 0.68 | S | S | * | * | | | trans | -62.1 | 141.1 | -176.7 | -62.9 | -157 | 149.1 | 0 | 0 | 108.7 | T4 S8 | T4-E6 VanDerWaalsContact C-N 3.32Å; T4-E6 WeakPolarHBondContact O-CG 3.26Å; T4-E6 PolarHBondContact O-N 3.34Å; E6-S8 PolarHBondContact O-N 2.9Å |
| 7 | R | 68.4 | Low | 67.1 | Low | 242 Ų | 242 | 133.7 Ų | 133.7 | 91% | 0.913 | 66% | 0.663 | S | S | * | * | | | trans | -72.1 | 77.5 | -166.9 | -67.4 | 178.3 | 172.8 | 107.1 | -1.7 | 110.7 | E5 | E5-R7 PolarHBondContact O-N 2.68Š|
| 8 | S | 74 | Confident | 67.5 | Low | 50 Ų | 50 | 132 Ų | 132 | 35% | 0.35 | 65% | 0.651 | S | S | . | * | | | trans | -48.3 | 141.1 | -168.9 | 169.6 | 0 | 0 | 0 | 0 | 111.8 | E6 D10 N11 F12 | E6-S8 PolarHBondContact O-N 2.9Å; S8-D10 PolarHBondContact O-N 3.2Å; S8-D10 VanDerWaalsContact O-N 3.1Å; S8-D10 PolarHBondContact OG-N 2.75Å; S8-D10 VanDerWaalsContact OG-N 3.08Å; S8-D10 PolarHBondContact OG-OD2 2.92Å; S8-N11 WeakPolarHBondContact O-CA 3.42Å; S8-N11 WeakPolarHBondContact O-CB 3.26Å; S8-N11 PolarHBondContact O-N 2.67Å; S8-F12 PolarHBondContact O-N 3.35Å |
| 9 | L | 66.3 | Low | 67.9 | Low | 125 Ų | 125 | 129.7 Ų | 129.7 | 65% | 0.654 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -57 | -24.2 | 173.7 | -67.5 | 172.9 | 0 | 0 | 0 | 111.7 | N11 F12 F13 | L9-N11 VanDerWaalsContact C-N 3.29Å; L9-N11 PolarHBondContact O-N 2.89Å; L9-F12 CarbonylContact O-C 3.47Å; L9-F12 WeakPolarHBondContact O-CA 3.33Å; L9-F12 WeakPolarHBondContact O-CB 3.4Å; L9-F12 PolarHBondContact O-N 2.85Å; L9-F13 HydrophobicContact CB-CD2 4.31Å; L9-F13 HydrophobicContact CB-CE2 4.31Å; L9-F13 WeakPolarHBondContact O-CD2 3.45Å; L9-F13 PolarHBondContact O-N 2.9Å |
| 10 | D | 73.9 | Confident | 68.1 | Low | 119 Ų | 119 | 129.6 Ų | 129.6 | 64% | 0.636 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.7 | -30.8 | 172 | -65.1 | -51 | 0 | 0 | 0 | 112.9 | S8 F12 A14 | S8-D10 PolarHBondContact O-N 3.2Å; S8-D10 VanDerWaalsContact O-N 3.1Å; S8-D10 PolarHBondContact OG-N 2.75Å; S8-D10 VanDerWaalsContact OG-N 3.08Å; S8-D10 PolarHBondContact OG-OD2 2.92Å; D10-F12 VanDerWaalsContact C-N 3.35Å; D10-A14 WeakPolarHBondContact O-CA 3.48Å; D10-A14 WeakPolarHBondContact O-CB 3.47Å; D10-A14 PolarHBondContact O-N 2.91Å |
| 11 | N | 81.3 | Confident | 68.2 | Low | 103 Ų | 103 | 129.2 Ų | 129.2 | 55% | 0.551 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -70.9 | -31.2 | 169.8 | -87.2 | -55.8 | 0 | 0 | 0 | 111.8 | S8 L9 K15 | S8-N11 WeakPolarHBondContact O-CA 3.42Å; S8-N11 WeakPolarHBondContact O-CB 3.26Å; S8-N11 PolarHBondContact O-N 2.67Å; L9-N11 VanDerWaalsContact C-N 3.29Å; L9-N11 PolarHBondContact O-N 2.89Å; N11-K15 WeakPolarHBondContact O-CB 3.42Å; N11-K15 PolarHBondContact O-N 2.96Å |
| 12 | F | 80.3 | Confident | 70 | Confident | 127 Ų | 127 | 125.6 Ų | 125.6 | 56% | 0.557 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -71.4 | -47.4 | 171.8 | -175.1 | -96.6 | 0 | 0 | 0 | 111.2 | S8 L9 D10 A14 K15 R16 | S8-F12 PolarHBondContact O-N 3.35Å; L9-F12 CarbonylContact O-C 3.47Å; L9-F12 WeakPolarHBondContact O-CA 3.33Å; L9-F12 WeakPolarHBondContact O-CB 3.4Å; L9-F12 PolarHBondContact O-N 2.85Å; D10-F12 VanDerWaalsContact C-N 3.35Å; F12-A14 VanDerWaalsContact C-N 3.34Å; F12-A14 PolarHBondContact O-N 3.07Å; F12-K15 PolarHBondContact O-N 3.13Å; F12-R16 HydrophobicContact CE1-CB 4.38Å; F12-R16 WeakPolarHBondContact O-CB 3.32Å; F12-R16 PolarHBondContact O-N 3.43Å |
| 13 | F | 79 | Confident | 70.7 | Confident | 110 Ų | 110 | 124.7 Ų | 124.7 | 48% | 0.482 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.5 | -39.4 | 174.7 | -76.6 | -66.3 | 0 | 0 | 0 | 111.2 | L9 K15 R16 D17 | L9-F13 HydrophobicContact CB-CD2 4.31Å; L9-F13 HydrophobicContact CB-CE2 4.31Å; L9-F13 WeakPolarHBondContact O-CD2 3.45Å; L9-F13 PolarHBondContact O-N 2.9Å; F13-K15 PolarHBondContact O-N 3.44Å; F13-R16 CarbonylContact O-C 3.17Å; F13-D17 WeakPolarHBondContact O-CA 3.39Å; F13-D17 WeakPolarHBondContact O-CB 3.26Å; F13-D17 PolarHBondContact O-N 3.17Å |
| 14 | A | 80.4 | Confident | 71.4 | Confident | 41 Ų | 41 | 125.2 Ų | 125.2 | 34% | 0.339 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.9 | -9.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D10 F12 D17 K18 | D10-A14 WeakPolarHBondContact O-CA 3.48Å; D10-A14 WeakPolarHBondContact O-CB 3.47Å; D10-A14 PolarHBondContact O-N 2.91Å; F12-A14 VanDerWaalsContact C-N 3.34Å; F12-A14 PolarHBondContact O-N 3.07Å; A14-D17 CarbonylContact O-C 3.52Å; A14-K18 WeakPolarHBondContact O-CD 3.5Å; A14-K18 PolarHBondContact O-NZ 2.63Å |
| 15 | K | 73.6 | Confident | 71.8 | Confident | 165 Ų | 165 | 123.5 Ų | 123.5 | 72% | 0.717 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.6 | -38 | -176.5 | -160.6 | 169.9 | -171.9 | 175 | 0 | 113.2 | N11 F12 F13 D17 K18 | N11-K15 WeakPolarHBondContact O-CB 3.42Å; N11-K15 PolarHBondContact O-N 2.96Å; F12-K15 PolarHBondContact O-N 3.13Å; F13-K15 PolarHBondContact O-N 3.44Å; K15-D17 PolarHBondContact O-N 3.46Å; K15-K18 PolarHBondContact O-N 2.98Å |
| 16 | R | 75.4 | Confident | 72 | Confident | 140 Ų | 140 | 118.2 Ų | 118.2 | 53% | 0.528 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.2 | -8.7 | 150 | -157.2 | -169.1 | 76.2 | 130.3 | -2.2 | 111.3 | F12 F13 S76 G77 | F12-R16 HydrophobicContact CE1-CB 4.38Å; F12-R16 WeakPolarHBondContact O-CB 3.32Å; F12-R16 PolarHBondContact O-N 3.43Å; F13-R16 CarbonylContact O-C 3.17Å; R16-S76 CarbonylContact C-O 3.05Å; R16-S76 CarbonylContact O-C 3.53Å; R16-G77 WeakPolarHBondContact O-CA 3.43Å; R16-G77 PolarHBondContact O-N 3.49Å |
| 17 | D | 75.1 | Confident | 72.1 | Confident | 74 Ų | 74 | 119.9 Ų | 119.9 | 40% | 0.396 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103 | 44.8 | 157.7 | -160.3 | 49.6 | 0 | 0 | 0 | 111.6 | F13 A14 K15 S78 | F13-D17 WeakPolarHBondContact O-CA 3.39Å; F13-D17 WeakPolarHBondContact O-CB 3.26Å; F13-D17 PolarHBondContact O-N 3.17Å; A14-D17 CarbonylContact O-C 3.52Å; K15-D17 PolarHBondContact O-N 3.46Å; D17-S78 VanDerWaalsContact CG-N 3.26Å; D17-S78 WeakPolarHBondContact O-CA 3.25Å; D17-S78 PolarHBondContact O-N 3.28Å; D17-S78 PolarHBondContact O-OG 2.89Å; D17-S78 VanDerWaalsContact OD1-CB 3.28Å; D17-S78 WeakPolarHBondContact OD1-CB 3.42Å; D17-S78 PolarHBondContact OD1-N 3.24Å; D17-S78 WeakPolarHBondContact OD2-CB 3.15Å; D17-S78 PolarHBondContact OD2-OG 3.02Å |
| 18 | K | 74.1 | Confident | 71.9 | Confident | 103 Ų | 103 | 111.4 Ų | 111.4 | 45% | 0.448 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -135.9 | 7.5 | 164.2 | -128.7 | 98 | -88.2 | 136.4 | 0 | 119.5 | A14 K15 G77 S78 | A14-K18 WeakPolarHBondContact O-CD 3.5Å; A14-K18 PolarHBondContact O-NZ 2.63Å; K15-K18 PolarHBondContact O-N 2.98Å; K18-G77 CarbonylContact C-O 3.57Å; K18-G77 VanDerWaalsContact N-C 3.25Å; K18-S78 CarbonylContact C-O 3.33Å; K18-S78 VanDerWaalsContact CA-O 3.26Å; K18-S78 WeakPolarHBondContact CA-O 3.49Å; K18-S78 WeakPolarHBondContact CE-OG 3.48Å; K18-S78 PolarHBondContact NZ-OG 3.25Å; K18-S78 VanDerWaalsContact O-O 3.09Å |
| 19 | K | 75.4 | Confident | 71.2 | Confident | 89 Ų | 89 | 112 Ų | 112 | 39% | 0.387 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -124.6 | -23.3 | -178.5 | 162.9 | -175.9 | 175 | -169.7 | 0 | 120.8 | K22 E23 S75 S76 G77 | K19-K22 CarbonylContact O-C 3.33Å; K19-K22 WeakPolarHBondContact O-CB 3.25Å; K19-E23 VanDerWaalsContact CE-OE1 3.31Å; K19-E23 WeakPolarHBondContact CE-OE1 3.46Å; K19-E23 HydrophobicContact CG-CG 4.34Å; K19-E23 WeakPolarHBondContact O-CB 3.3Å; K19-E23 VanDerWaalsContact O-CG 3.3Å; K19-E23 WeakPolarHBondContact O-CG 3.31Å; K19-E23 PolarHBondContact O-N 3.31Å; K19-S75 WeakPolarHBondContact CD-O 3.22Å; K19-S75 WeakPolarHBondContact CE-O 3.35Å; K19-S75 PolarHBondContact NZ-OG 2.74Å; K19-S76 VanDerWaalsContact CB-O 3.32Å; K19-S76 WeakPolarHBondContact CB-O 3.35Å; K19-S76 PolarHBondContact N-O 3.47Å; K19-G77 CarbonylContact C-O 3.05Å; K19-G77 WeakPolarHBondContact CA-O 3.24Å; K19-G77 VanDerWaalsContact N-CA 3.31Å; K19-G77 PolarHBondContact N-O 2.77Å |
| 20 | K | 72 | Confident | 70.8 | Confident | 127 Ų | 127 | 111.8 Ų | 111.8 | 55% | 0.552 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -74.2 | -32 | 174 | 177.5 | -176.9 | 177.1 | -176.8 | 0 | 116.9 | K22 R24 G77 | K20-K22 VanDerWaalsContact C-N 3.34Å; K20-R24 WeakPolarHBondContact O-CA 3.35Å; K20-R24 WeakPolarHBondContact O-CB 3.09Å; K20-R24 PolarHBondContact O-N 3.42Å; K20-G77 CarbonylContact C-O 3.17Å; K20-G77 VanDerWaalsContact CA-O 3.24Å; K20-G77 WeakPolarHBondContact CA-O 2.93Å; K20-G77 VanDerWaalsContact N-C 3.35Å; K20-G77 PolarHBondContact N-O 3.47Å |
| 21 | K | 70.3 | Confident | 70 | Confident | 121 Ų | 121 | 110 Ų | 110 | 53% | 0.526 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -74.2 | -34.6 | 168.4 | -174.1 | 179.9 | -176.6 | 177.9 | 0 | 108.4 | S25 G77 | K21-S25 WeakPolarHBondContact O-CB 3.3Å; K21-S25 PolarHBondContact O-N 3Å; K21-G77 PolarHBondContact N-O 3.23Å |
| 22 | K | 73.4 | Confident | 68.8 | Low | 160 Ų | 160 | 109.3 Ų | 109.3 | 70% | 0.696 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.7 | -50.3 | 165.5 | -168.9 | 172.8 | -178.8 | 176.6 | 0 | 111.4 | K19 K20 S25 S26 | K19-K22 CarbonylContact O-C 3.33Å; K19-K22 WeakPolarHBondContact O-CB 3.25Å; K20-K22 VanDerWaalsContact C-N 3.34Å; K22-S25 PolarHBondContact O-N 3.39Å; K22-S26 WeakPolarHBondContact O-CB 3.48Å; K22-S26 PolarHBondContact O-N 2.9Å; K22-S26 PolarHBondContact O-OG 3.05Å |
| 23 | E | 65.4 | Low | 67.7 | Low | 79 Ų | 79 | 107.3 Ų | 107.3 | 37% | 0.369 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.7 | -34.7 | 176.8 | -75.5 | 171.3 | 164.1 | 0 | 0 | 114 | K19 S26 R27 | K19-E23 VanDerWaalsContact CE-OE1 3.31Å; K19-E23 WeakPolarHBondContact CE-OE1 3.46Å; K19-E23 HydrophobicContact CG-CG 4.34Å; K19-E23 WeakPolarHBondContact O-CB 3.3Å; K19-E23 VanDerWaalsContact O-CG 3.3Å; K19-E23 WeakPolarHBondContact O-CG 3.31Å; K19-E23 PolarHBondContact O-N 3.31Å; E23-S26 WeakPolarHBondContact CA-OG 3.41Å; E23-S26 PolarHBondContact O-OG 3.22Å; E23-R27 VanDerWaalsContact O-CB 3.25Å; E23-R27 WeakPolarHBondContact O-CB 3.08Å; E23-R27 PolarHBondContact O-N 2.93Å |
| 24 | R | 69.3 | Low | 66.3 | Low | 196 Ų | 196 | 105.3 Ų | 105.3 | 74% | 0.74 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -73.6 | -34.7 | 176.8 | -172.3 | 175 | -176.1 | 178 | 1.9 | 110.8 | K20 A28 | K20-R24 WeakPolarHBondContact O-CA 3.35Å; K20-R24 WeakPolarHBondContact O-CB 3.09Å; K20-R24 PolarHBondContact O-N 3.42Å; R24-A28 WeakPolarHBondContact O-CB 3.32Å; R24-A28 PolarHBondContact O-N 3.11Å |
| 25 | S | 61.2 | Low | 64.9 | Low | 81 Ų | 81 | 107.9 Ų | 107.9 | 57% | 0.566 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66 | -48.1 | 168.9 | -176 | 0 | 0 | 0 | 0 | 111.2 | K21 K22 R27 A28 A29 | K21-S25 WeakPolarHBondContact O-CB 3.3Å; K21-S25 PolarHBondContact O-N 3Å; K22-S25 PolarHBondContact O-N 3.39Å; S25-R27 PolarHBondContact O-N 3.2Å; S25-A28 PolarHBondContact O-N 2.77Å; S25-A29 PolarHBondContact O-N 3.2Å |
| 26 | S | 65.9 | Low | 63.1 | Low | 64 Ų | 64 | 104.1 Ų | 104.1 | 45% | 0.448 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -70 | -32.9 | 179.1 | 67.9 | 0 | 0 | 0 | 0 | 113 | K22 E23 A29 N30 | K22-S26 WeakPolarHBondContact O-CB 3.48Å; K22-S26 PolarHBondContact O-N 2.9Å; K22-S26 PolarHBondContact O-OG 3.05Å; E23-S26 WeakPolarHBondContact CA-OG 3.41Å; E23-S26 PolarHBondContact O-OG 3.22Å; S26-A29 PolarHBondContact O-N 2.9Å; S26-N30 VanDerWaalsContact O-CB 3.26Å; S26-N30 WeakPolarHBondContact O-CB 3.02Å; S26-N30 PolarHBondContact O-N 3.32Å |
| 27 | R | 60.1 | Low | 61.2 | Low | 202 Ų | 202 | 101.2 Ų | 101.2 | 76% | 0.762 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.9 | -39.3 | 169.1 | -95.2 | -178.2 | 156.7 | 151.2 | -6.7 | 112.1 | E23 S25 N30 A31 | E23-R27 VanDerWaalsContact O-CB 3.25Å; E23-R27 WeakPolarHBondContact O-CB 3.08Å; E23-R27 PolarHBondContact O-N 2.93Å; S25-R27 PolarHBondContact O-N 3.2Å; R27-N30 PolarHBondContact O-N 3.48Å; R27-A31 VanDerWaalsContact O-CB 3.25Å; R27-A31 WeakPolarHBondContact O-CB 3.44Å; R27-A31 PolarHBondContact O-N 2.91Å |
| 28 | A | 63.2 | Low | 60.1 | Low | 64 Ų | 64 | 103.4 Ų | 103.4 | 53% | 0.529 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -63.6 | -42.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R24 S25 A32 | R24-A28 WeakPolarHBondContact O-CB 3.32Å; R24-A28 PolarHBondContact O-N 3.11Å; S25-A28 PolarHBondContact O-N 2.77Å; A28-A32 PolarHBondContact O-N 3.41Å |
| 29 | A | 58.9 | Low | 58.6 | Low | 63 Ų | 63 | 104.1 Ų | 104.1 | 52% | 0.521 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -63.6 | -44.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | S25 S26 A32 S33 | S25-A29 PolarHBondContact O-N 3.2Å; S26-A29 PolarHBondContact O-N 2.9Å; A29-A32 WeakPolarHBondContact O-CB 3.33Å; A29-A32 PolarHBondContact O-N 3.29Å; A29-S33 PolarHBondContact O-N 2.86Å |
| 30 | N | 57.6 | Low | 56.7 | Low | 120 Ų | 120 | 104.5 Ų | 104.5 | 64% | 0.642 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -71.3 | -31.9 | -177.6 | -148.4 | -97.5 | 0 | 0 | 0 | 112.6 | S26 R27 A32 S33 | S26-N30 VanDerWaalsContact O-CB 3.26Å; S26-N30 WeakPolarHBondContact O-CB 3.02Å; S26-N30 PolarHBondContact O-N 3.32Å; R27-N30 PolarHBondContact O-N 3.48Å; N30-A32 VanDerWaalsContact C-N 3.29Å; N30-A32 PolarHBondContact O-N 3.29Å; N30-S33 WeakPolarHBondContact CA-OG 3.26Å; N30-S33 PolarHBondContact O-N 3.21Å; N30-S33 PolarHBondContact O-OG 2.92Å |
| 31 | A | 57.1 | Low | 55 | Low | 82 Ų | 82 | 103.3 Ų | 103.3 | 68% | 0.678 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -66.1 | -30.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R27 | R27-A31 VanDerWaalsContact O-CB 3.25Å; R27-A31 WeakPolarHBondContact O-CB 3.44Å; R27-A31 PolarHBondContact O-N 2.91Å |
| 32 | A | 57.3 | Low | 53.2 | Low | 87 Ų | 87 | 102.5 Ų | 102.5 | 72% | 0.719 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -75.6 | -23.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A28 A29 N30 | A28-A32 PolarHBondContact O-N 3.41Å; A29-A32 WeakPolarHBondContact O-CB 3.33Å; A29-A32 PolarHBondContact O-N 3.29Å; N30-A32 VanDerWaalsContact C-N 3.29Å; N30-A32 PolarHBondContact O-N 3.29Å |
| 33 | S | 56.2 | Low | 51.4 | Low | 85 Ų | 85 | 98.4 Ų | 98.4 | 59% | 0.594 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 6 | 179.2 | 54.3 | 0 | 0 | 0 | 0 | 115 | A29 N30 | A29-S33 PolarHBondContact O-N 2.86Å; N30-S33 WeakPolarHBondContact CA-OG 3.26Å; N30-S33 PolarHBondContact O-N 3.21Å; N30-S33 PolarHBondContact O-OG 2.92Å |
| 34 | G | 50.1 | Low | 49.8 | Very low | 69 Ų | 69 | 100.8 Ų | 100.8 | 71% | 0.711 | 73% | 0.725 | S | S | * | * | | | trans | -88.9 | 6.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 35 | A | 50.8 | Low | 48.3 | Very low | 95 Ų | 95 | 103 Ų | 103 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | | | trans | -128.3 | 113.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 36 | G | 35.9 | Very low | 47.8 | Very low | 85 Ų | 85 | 104.4 Ų | 104.4 | 88% | 0.876 | 74% | 0.741 | S | S | * | * | | | trans | 92.1 | 145.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 37 | G | 36.8 | Very low | 46.2 | Very low | 80 Ų | 80 | 105 Ų | 105 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | | | cis | -176.1 | 149.3 | -4.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 38 | S | 50 | Low | 45.4 | Very low | 120 Ų | 120 | 102.9 Ų | 102.9 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | | | trans | -92.5 | 133.2 | -169.9 | 56.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 39 | S | 42.8 | Very low | 44.1 | Very low | 118 Ų | 118 | 103.7 Ų | 103.7 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | trans | -169.3 | 136.3 | 148.1 | 44.8 | 0 | 0 | 0 | 0 | 116.3 | | |
| 40 | A | 36.6 | Very low | 43.2 | Very low | 96 Ų | 96 | 104.7 Ų | 104.7 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | | | trans | 61 | 117.4 | 133.4 | 0 | 0 | 0 | 0 | 0 | 124.7 | | |
| 41 | A | 35.7 | Very low | 42.4 | Very low | 102 Ų | 102 | 104.9 Ų | 104.9 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | | 95 | 165.7 | 117.5 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 42 | A | 32.2 | Very low | 41.6 | Very low | 104 Ų | 104 | 109.4 Ų | 109.4 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | | | trans | 72.7 | 85.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 43 | G | 35.7 | Very low | 40.6 | Very low | 75 Ų | 75 | 108.5 Ų | 108.5 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | | | trans | -86.8 | -166.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 44 | S | 31.4 | Very low | 39.7 | Very low | 128 Ų | 128 | 110.7 Ų | 110.7 | 90% | 0.895 | 83% | 0.829 | S | S | * | * | | | trans | -162 | 151.4 | 162.5 | -80.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 45 | R | 39.5 | Very low | 39 | Very low | 242 Ų | 242 | 111.6 Ų | 111.6 | 91% | 0.913 | 84% | 0.838 | S | S | * | * | | | trans | -168.3 | 158.3 | -177.2 | -109.7 | -171.8 | 168.3 | -158.9 | -3.9 | 108.7 | | |
| 46 | P | 49 | Very low | 38.5 | Very low | 111 Ų | 111 | 112 Ų | 112 | 72% | 0.721 | 84% | 0.842 | S | S | * | * | | | cis | -119.7 | -165.9 | -43.8 | 38.7 | -23.9 | 0 | 0 | 0 | 109.8 | | |
| 47 | G | 33.3 | Very low | 38.7 | Very low | 77 Ų | 77 | 119.7 Ų | 119.7 | 79% | 0.794 | 84% | 0.844 | S | S | * | * | | | trans | -156.6 | 100.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 48 | D | 42.3 | Very low | 38.8 | Very low | 158 Ų | 158 | 121.6 Ų | 121.6 | 85% | 0.845 | 85% | 0.845 | S | S | * | * | | | trans | -83.2 | 147.3 | -176.8 | -61.9 | -87.6 | 0 | 0 | 0 | 112.6 | | |
| 49 | G | 36.1 | Very low | 38.4 | Very low | 81 Ų | 81 | 119.5 Ų | 119.5 | 84% | 0.835 | 84% | 0.842 | S | S | * | * | | | trans | -171.3 | 66.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 50 | G | 41.3 | Very low | 38.3 | Very low | 84 Ų | 84 | 121.8 Ų | 121.8 | 87% | 0.866 | 85% | 0.845 | S | S | * | * | | | trans | -85.8 | 152 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 51 | S | 39.8 | Very low | 38.4 | Very low | 124 Ų | 124 | 121.1 Ų | 121.1 | 87% | 0.867 | 85% | 0.848 | S | S | * | * | | | trans | -146.2 | 152.3 | 164.6 | -168.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 52 | L | 39.9 | Very low | 38.7 | Very low | 176 Ų | 176 | 118.3 Ų | 118.3 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | | | trans | -118.2 | 150.2 | -166.1 | -66.2 | 165.7 | 0 | 0 | 0 | 112 | | |
| 53 | G | 37.2 | Very low | 39.1 | Very low | 69 Ų | 69 | 117.2 Ų | 117.2 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | | | trans | 165.8 | 82.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 54 | S | 38 | Very low | 39.5 | Very low | 130 Ų | 130 | 118.6 Ų | 118.6 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | | | | 73.8 | 105.7 | 80.1 | -63.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 55 | G | 35.4 | Very low | 40.2 | Very low | 88 Ų | 88 | 115.6 Ų | 115.6 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | | | trans | 164.3 | 75.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 56 | A | 39.1 | Very low | 40.5 | Very low | 104 Ų | 104 | 110.3 Ų | 110.3 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -90.1 | 144.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 57 | R | 39.7 | Very low | 40.2 | Very low | 246 Ų | 246 | 108.6 Ų | 108.6 | 93% | 0.928 | 80% | 0.797 | S | S | * | * | | | trans | -161.9 | 141.4 | 146.6 | 51 | 175.4 | 172.3 | -99.5 | 2.8 | 110.8 | | |
| 58 | S | 40.3 | Very low | 40.7 | Very low | 120 Ų | 120 | 109.2 Ų | 109.2 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | | | trans | -73.5 | 162.5 | -179.4 | -45.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 59 | G | 41 | Very low | 40.9 | Very low | 76 Ų | 76 | 112.4 Ų | 112.4 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | | | trans | -179.8 | 92.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 60 | D | 41.7 | Very low | 41.4 | Very low | 166 Ų | 166 | 114.3 Ų | 114.3 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | | | trans | -76.7 | 145.8 | -176.6 | -54.9 | -99.9 | 0 | 0 | 0 | 113.2 | | |
| 61 | G | 38.2 | Very low | 41.5 | Very low | 82 Ų | 82 | 113.8 Ų | 113.8 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | | | trans | 143.3 | 118.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 62 | G | 40.7 | Very low | 42 | Very low | 44 Ų | 44 | 116.1 Ų | 116.1 | 45% | 0.454 | 79% | 0.787 | S | S | . | * | | | trans | -121.1 | -174.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E184 P185 | G62-E184 CarbonylContact C-O 3.08Å; G62-E184 VanDerWaalsContact CA-O 3.26Å; G62-E184 WeakPolarHBondContact CA-O 3.5Å; G62-E184 CarbonylContact O-C 3.34Å; G62-P185 CarbonylContact O-C 3.49Å |
| 63 | S | 40.8 | Very low | 42.3 | Very low | 81 Ų | 81 | 111.6 Ų | 111.6 | 57% | 0.566 | 78% | 0.783 | S | S | * | * | | | trans | -162.6 | 148.5 | 162.2 | -169.9 | 0 | 0 | 0 | 0 | 113.5 | E184 A186 | S63-E184 VanDerWaalsContact CA-C 3.42Å; S63-E184 PolarHBondContact N-O 2.54Å; S63-A186 PolarHBondContact OG-N 3.11Å |
| 64 | L | 44.1 | Very low | 43.2 | Very low | 104 Ų | 104 | 112.2 Ų | 112.2 | 55% | 0.545 | 79% | 0.789 | S | S | . | * | | | trans | -64.1 | 156.6 | 171.1 | -95.2 | 170.7 | 0 | 0 | 0 | 113.2 | P183 E184 | L64-P183 HydrophobicContact CD1-CB 4.46Å; L64-P183 HydrophobicContact CD2-CB 3.41Å; L64-P183 VanDerWaalsContact CD2-CB 3.41Å; L64-P183 HydrophobicContact CG-CB 3.68Å; L64-E184 HydrophobicContact CB-CG 4.37Å; L64-E184 HydrophobicContact CD1-CG 3.37Å; L64-E184 HydrophobicContact CG-CB 4.48Å; L64-E184 HydrophobicContact CG-CG 3.57Å |
| 65 | G | 47.5 | Very low | 43.7 | Very low | 65 Ų | 65 | 109 Ų | 109 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | | | trans | -143.3 | -32.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 66 | S | 45.4 | Very low | 44.9 | Very low | 130 Ų | 130 | 106.4 Ų | 106.4 | 91% | 0.909 | 74% | 0.735 | S | S | * | * | | | trans | 65 | 154.9 | 169.9 | 80.6 | 0 | 0 | 0 | 0 | 122.1 | | |
| 67 | G | 43 | Very low | 45.1 | Very low | 76 Ų | 76 | 101.6 Ų | 101.6 | 78% | 0.784 | 70% | 0.695 | S | S | * | * | | | trans | 91.2 | 148.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 68 | S | 43.7 | Very low | 45.5 | Very low | 90 Ų | 90 | 91 Ų | 91 | 63% | 0.629 | 66% | 0.659 | S | S | * | * | | | cis | -169.6 | -178.3 | 6 | 61.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 69 | R | 46.8 | Very low | 45.6 | Very low | 224 Ų | 224 | 87.2 Ų | 87.2 | 85% | 0.845 | 64% | 0.638 | S | S | * | * | | | cis | -157.4 | -178.4 | 8.6 | 52.2 | -161.4 | 63.1 | 175.7 | -6 | 111.6 | | |
| 70 | S | 45.3 | Very low | 45.7 | Very low | 122 Ų | 122 | 87.9 Ų | 87.9 | 85% | 0.853 | 64% | 0.637 | S | S | * | * | | | trans | -59.5 | 161.5 | -175.7 | -32.6 | 0 | 0 | 0 | 0 | 119.8 | | |
| 71 | G | 43.9 | Very low | 46 | Very low | 73 Ų | 73 | 91.5 Ų | 91.5 | 75% | 0.753 | 64% | 0.638 | S | S | * | * | | | | 112.9 | 136.4 | 112.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 72 | D | 50.7 | Low | 46.2 | Very low | 172 Ų | 172 | 93.6 Ų | 93.6 | 92% | 0.92 | 64% | 0.64 | S | S | * | * | | | trans | -84.9 | 165.9 | -178 | -49.8 | -103.2 | 0 | 0 | 0 | 115.6 | | |
| 73 | G | 45.4 | Very low | 46.5 | Very low | 81 Ų | 81 | 94.7 Ų | 94.7 | 84% | 0.835 | 65% | 0.651 | S | S | * | * | | | trans | 137.1 | 118 | 150.8 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 74 | G | 56.8 | Low | 46.5 | Very low | 82 Ų | 82 | 98.8 Ų | 98.8 | 85% | 0.845 | 67% | 0.667 | S | S | * | * | | | trans | -95.4 | 172.5 | 169 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 75 | S | 47.2 | Very low | 46.1 | Very low | 63 Ų | 63 | 97.9 Ų | 97.9 | 44% | 0.441 | 68% | 0.683 | S | S | . | * | | | trans | -158.2 | 168 | 173.1 | 89.2 | 0 | 0 | 0 | 0 | 114.8 | K19 | K19-S75 WeakPolarHBondContact CD-O 3.22Å; K19-S75 WeakPolarHBondContact CE-O 3.35Å; K19-S75 PolarHBondContact NZ-OG 2.74Å |
| 76 | S | 60.8 | Low | 45.6 | Very low | 34 Ų | 34 | 98.8 Ų | 98.8 | 24% | 0.238 | 69% | 0.692 | C | S | . | * | | | trans | -148.5 | -173 | -145.9 | 55.4 | 0 | 0 | 0 | 0 | 117.9 | R16 K19 | R16-S76 CarbonylContact C-O 3.05Å; R16-S76 CarbonylContact O-C 3.53Å; K19-S76 VanDerWaalsContact CB-O 3.32Å; K19-S76 WeakPolarHBondContact CB-O 3.35Å; K19-S76 PolarHBondContact N-O 3.47Å |
| 77 | G | 43.9 | Very low | 45.5 | Very low | 3 Ų | 3 | 98.1 Ų | 98.1 | 3% | 0.031 | 69% | 0.687 | C | S | . | * | | | trans | 114.9 | 174.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 126.9 | R16 K18 K19 K20 K21 | R16-G77 WeakPolarHBondContact O-CA 3.43Å; R16-G77 PolarHBondContact O-N 3.49Å; K18-G77 CarbonylContact C-O 3.57Å; K18-G77 VanDerWaalsContact N-C 3.25Å; K19-G77 CarbonylContact C-O 3.05Å; K19-G77 WeakPolarHBondContact CA-O 3.24Å; K19-G77 VanDerWaalsContact N-CA 3.31Å; K19-G77 PolarHBondContact N-O 2.77Å; K20-G77 CarbonylContact C-O 3.17Å; K20-G77 VanDerWaalsContact CA-O 3.24Å; K20-G77 WeakPolarHBondContact CA-O 2.93Å; K20-G77 VanDerWaalsContact N-C 3.35Å; K20-G77 PolarHBondContact N-O 3.47Å; K21-G77 PolarHBondContact N-O 3.23Å |
| 78 | S | 48.3 | Very low | 45.5 | Very low | 24 Ų | 24 | 98.8 Ų | 98.8 | 17% | 0.168 | 68% | 0.68 | C | S | . | * | | | trans | -63.9 | -148.4 | -176.6 | 79.7 | 0 | 0 | 0 | 0 | 119 | D17 K18 | D17-S78 VanDerWaalsContact CG-N 3.26Å; D17-S78 WeakPolarHBondContact O-CA 3.25Å; D17-S78 PolarHBondContact O-N 3.28Å; D17-S78 PolarHBondContact O-OG 2.89Å; D17-S78 VanDerWaalsContact OD1-CB 3.28Å; D17-S78 WeakPolarHBondContact OD1-CB 3.42Å; D17-S78 PolarHBondContact OD1-N 3.24Å; D17-S78 WeakPolarHBondContact OD2-CB 3.15Å; D17-S78 PolarHBondContact OD2-OG 3.02Å; K18-S78 CarbonylContact C-O 3.33Å; K18-S78 VanDerWaalsContact CA-O 3.26Å; K18-S78 WeakPolarHBondContact CA-O 3.49Å; K18-S78 WeakPolarHBondContact CE-OG 3.48Å; K18-S78 PolarHBondContact NZ-OG 3.25Å; K18-S78 VanDerWaalsContact O-O 3.09Å |
| 79 | G | 43.1 | Very low | 45.6 | Very low | 39 Ų | 39 | 105.8 Ų | 105.8 | 40% | 0.402 | 69% | 0.693 | S | S | . | * | | | cis | -170.2 | 169.1 | 4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 80 | A | 41.8 | Very low | 45.5 | Very low | 91 Ų | 91 | 101.5 Ų | 101.5 | 75% | 0.752 | 70% | 0.697 | S | S | * | * | | | trans | -155.6 | 160.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 81 | R | 48.8 | Very low | 45.3 | Very low | 241 Ų | 241 | 98.9 Ų | 98.9 | 91% | 0.909 | 69% | 0.69 | S | S | * | * | | | trans | -145 | 146 | -168.7 | 59.9 | -172.5 | 168.8 | -169.9 | -3.9 | 110.7 | | |
| 82 | S | 42.8 | Very low | 45.3 | Very low | 126 Ų | 126 | 103.8 Ų | 103.8 | 88% | 0.881 | 70% | 0.699 | S | S | * | * | | | trans | -148.6 | 159.9 | 162.2 | -63.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 83 | G | 46 | Very low | 44.7 | Very low | 68 Ų | 68 | 98.8 Ų | 98.8 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | | | trans | -173.2 | 142.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 84 | D | 40.7 | Very low | 44.7 | Very low | 166 Ų | 166 | 99 Ų | 99 | 89% | 0.888 | 69% | 0.689 | S | S | * | * | | | trans | -139 | 157.4 | -173.1 | -68.4 | -82.1 | 0 | 0 | 0 | 109.7 | | |
| 85 | G | 37.3 | Very low | 44 | Very low | 86 Ų | 86 | 101.3 Ų | 101.3 | 89% | 0.887 | 69% | 0.693 | S | S | * | * | | | trans | -80.8 | 172.5 | -161.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 86 | G | 36.1 | Very low | 44 | Very low | 84 Ų | 84 | 103.4 Ų | 103.4 | 87% | 0.866 | 71% | 0.714 | S | S | * | * | | | trans | -166.2 | 138.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 87 | S | 44 | Very low | 43 | Very low | 115 Ų | 115 | 104.5 Ų | 104.5 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | | | trans | -123 | 154.6 | -168.9 | -175.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 88 | S | 42.4 | Very low | 43.2 | Very low | 91 Ų | 91 | 111 Ų | 111 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | | | trans | 76.9 | 123.3 | 159.8 | 80 | 0 | 0 | 0 | 0 | 119 | | |
| 89 | R | 44.8 | Very low | 43.5 | Very low | 237 Ų | 237 | 114.7 Ų | 114.7 | 89% | 0.894 | 80% | 0.804 | S | S | * | * | | | | 173.4 | 153.9 | 100.1 | -92.1 | 162.7 | -173.5 | -125.4 | -4 | 112.3 | | |
| 90 | S | 45.8 | Very low | 43.6 | Very low | 133 Ų | 133 | 116.4 Ų | 116.4 | 93% | 0.93 | 82% | 0.822 | S | S | * | * | | | trans | -91.8 | 160.9 | 179.3 | -42 | 0 | 0 | 0 | 0 | 112.4 | | |
| 91 | G | 40.1 | Very low | 44.3 | Very low | 68 Ų | 68 | 121.9 Ų | 121.9 | 70% | 0.701 | 83% | 0.829 | S | S | * | * | | | trans | 138 | 94.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 92 | D | 44.2 | Very low | 44.5 | Very low | 176 Ų | 176 | 114.3 Ų | 114.3 | 94% | 0.941 | 82% | 0.818 | S | S | * | * | | | | 72.3 | 139.9 | 67.8 | -160.2 | -89.4 | 0 | 0 | 0 | 112.9 | | |
| 93 | G | 38.3 | Very low | 45.1 | Very low | 67 Ų | 67 | 115.4 Ų | 115.4 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | | | trans | 120.9 | 75.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 94 | G | 45.4 | Very low | 45.4 | Very low | 84 Ų | 84 | 117.6 Ų | 117.6 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | | | trans | -73.6 | 150.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 95 | S | 41.8 | Very low | 46 | Very low | 132 Ų | 132 | 116.1 Ų | 116.1 | 92% | 0.923 | 80% | 0.797 | S | S | * | * | | | trans | -140.5 | 150.6 | 166.5 | -167.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 96 | A | 46.7 | Very low | 46.8 | Very low | 106 Ų | 106 | 116.6 Ų | 116.6 | 88% | 0.876 | 78% | 0.779 | S | S | * | * | | | trans | -79.4 | 147.3 | -155.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 97 | G | 40.1 | Very low | 47.6 | Very low | 58 Ų | 58 | 120 Ų | 120 | 60% | 0.598 | 77% | 0.773 | S | S | * | * | | | trans | 145.2 | 113.3 | 155.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | A99 | G97-A99 PolarHBondContact O-N 3.12Š|
| 98 | P | 49 | Very low | 48.2 | Very low | 140 Ų | 140 | 119.3 Ų | 119.3 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | | | trans | -75.8 | 68.3 | 166 | 32.9 | -34.4 | 0 | 0 | 0 | 110.6 | G100 | P98-G100 PolarHBondContact O-N 3.33Š|
| 99 | A | 54.1 | Low | 48.9 | Very low | 101 Ų | 101 | 119.7 Ų | 119.7 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | | | trans | -79.2 | 46 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G97 K101 | G97-A99 PolarHBondContact O-N 3.12Å; A99-K101 PolarHBondContact O-N 3.14Å |
| 100 | G | 45.1 | Very low | 49.4 | Very low | 74 Ų | 74 | 119.5 Ų | 119.5 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | | | trans | -91.3 | 37.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | P98 A102 | P98-G100 PolarHBondContact O-N 3.33Å; G100-A102 PolarHBondContact O-N 3.12Å |
| 101 | K | 56.1 | Low | 50.1 | Low | 207 Ų | 207 | 121.6 Ų | 121.6 | 90% | 0.9 | 74% | 0.744 | S | S | * | * | | | trans | -88.6 | 90.3 | -179.6 | -64.8 | -178.4 | 179.7 | -177.7 | 0 | 110.7 | A99 | A99-K101 PolarHBondContact O-N 3.14Š|
| 102 | A | 54.1 | Low | 50.7 | Low | 82 Ų | 82 | 125.9 Ų | 125.9 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | | | trans | -154.7 | 18.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | G100 | G100-A102 PolarHBondContact O-N 3.12Š|
| 103 | I | 56 | Low | 50.8 | Low | 149 Ų | 149 | 124.7 Ų | 124.7 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -151.5 | 9.9 | -178.9 | -150.4 | 61.9 | 0 | 0 | 0 | 117 | | |
| 104 | T | 51.2 | Low | 51.9 | Low | 113 Ų | 113 | 128.7 Ų | 128.7 | 69% | 0.693 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -142.8 | 33.7 | -177.2 | 69.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 105 | K | 53.8 | Low | 52.4 | Low | 135 Ų | 135 | 132.7 Ų | 132.7 | 59% | 0.587 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -124.2 | -40.2 | 177.5 | -163.4 | 174.2 | -171.1 | -71.6 | 0 | 111.8 | E107 N108 E109 | K105-E107 PolarHBondContact O-N 2.99Å; K105-N108 WeakPolarHBondContact O-CA 3.38Å; K105-N108 WeakPolarHBondContact O-CB 3.12Å; K105-N108 PolarHBondContact O-N 2.85Å; K105-E109 IonicContact NZ-OE1 2.54Å; K105-E109 PolarHBondContact NZ-OE1 2.81Å; K105-E109 PolarHBondContact O-N 2.82Å |
| 106 | D | 53.2 | Low | 53.3 | Low | 96 Ų | 96 | 135.9 Ų | 135.9 | 51% | 0.513 | 72% | 0.721 | S | S | . | * | H | α-helix | trans | -62 | -41 | -178.3 | -41.9 | -105.6 | 0 | 0 | 0 | 111.2 | N108 E109 W110 | D106-N108 VanDerWaalsContact C-N 3.26Å; D106-N108 PolarHBondContact O-N 2.7Å; D106-E109 PolarHBondContact O-N 2.96Å; D106-W110 VanDerWaalsContact O-CD1 3.24Å |
| 107 | E | 53.7 | Low | 54.3 | Low | 156 Ų | 156 | 139.3 Ų | 139.3 | 73% | 0.729 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -66.2 | -25.1 | 173.1 | -63.2 | -169.9 | 164 | 0 | 0 | 113.7 | K105 | K105-E107 PolarHBondContact O-N 2.99Å |
| 108 | N | 55.4 | Low | 56 | Low | 100 Ų | 100 | 140.1 Ų | 140.1 | 54% | 0.535 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -82.5 | -31.4 | 176.6 | -96.4 | 94.8 | 0 | 0 | 0 | 112 | K105 D106 W110 K111 E112 | K105-N108 WeakPolarHBondContact O-CA 3.38Å; K105-N108 WeakPolarHBondContact O-CB 3.12Å; K105-N108 PolarHBondContact O-N 2.85Å; D106-N108 VanDerWaalsContact C-N 3.26Å; D106-N108 PolarHBondContact O-N 2.7Å; N108-W110 PolarHBondContact O-N 3.21Å; N108-K111 CarbonylContact O-C 3.36Å; N108-K111 WeakPolarHBondContact O-CA 3.44Å; N108-K111 WeakPolarHBondContact O-CB 3.43Å; N108-K111 PolarHBondContact O-N 2.77Å; N108-E112 PolarHBondContact O-N 3.37Å; N108-E112 VanDerWaalsContact O-N 3.07Å |
| 109 | E | 57.9 | Low | 57.4 | Low | 100 Ų | 100 | 139.7 Ų | 139.7 | 47% | 0.467 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -67.7 | -24.8 | 177.4 | -72.4 | 169.1 | 177.6 | 0 | 0 | 112.4 | K105 D106 K111 | K105-E109 IonicContact NZ-OE1 2.54Å; K105-E109 PolarHBondContact NZ-OE1 2.81Å; K105-E109 PolarHBondContact O-N 2.82Å; D106-E109 PolarHBondContact O-N 2.96Å; E109-K111 VanDerWaalsContact C-N 3.34Å |
| 110 | W | 56.4 | Low | 58.3 | Low | 232 Ų | 232 | 142.5 Ų | 142.5 | 88% | 0.879 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -9.3 | 166.8 | -67.7 | 100.9 | 0 | 0 | 0 | 114.5 | D106 N108 | D106-W110 VanDerWaalsContact O-CD1 3.24Å; N108-W110 PolarHBondContact O-N 3.21Å |
| 111 | K | 59.8 | Low | 59.6 | Low | 178 Ų | 178 | 144 Ų | 144 | 77% | 0.774 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -4.7 | 173.4 | -92.6 | 178.2 | 175.6 | 171.4 | 0 | 113.8 | N108 E109 | N108-K111 CarbonylContact O-C 3.36Å; N108-K111 WeakPolarHBondContact O-CA 3.44Å; N108-K111 WeakPolarHBondContact O-CB 3.43Å; N108-K111 PolarHBondContact O-N 2.77Å; E109-K111 VanDerWaalsContact C-N 3.34Å |
| 112 | E | 53.1 | Low | 60.6 | Low | 157 Ų | 157 | 137.1 Ų | 137.1 | 73% | 0.734 | 68% | 0.679 | S | S | * | * | | | trans | -105.3 | 25.3 | -179.8 | -155.3 | 164 | -147.7 | 0 | 0 | 112.6 | N108 E114 | N108-E112 PolarHBondContact O-N 3.37Å; N108-E112 VanDerWaalsContact O-N 3.07Å; E112-E114 PolarHBondContact O-N 2.87Å |
| 113 | F | 46.3 | Very low | 61.8 | Low | 151 Ų | 151 | 138.5 Ų | 138.5 | 66% | 0.662 | 67% | 0.674 | S | S | * | * | | | trans | -71.9 | 74.1 | 142.4 | -163.6 | -90.2 | 0 | 0 | 0 | 107.8 | Q115 | F113-Q115 PolarHBondContact O-N 2.57Š|
| 114 | E | 61.8 | Low | 62.7 | Low | 152 Ų | 152 | 142.2 Ų | 142.2 | 71% | 0.71 | 68% | 0.679 | S | S | * | * | | | trans | -46.9 | 127 | 158.8 | -178.9 | 179.6 | -116.6 | 0 | 0 | 107.1 | E112 R116 | E112-E114 PolarHBondContact O-N 2.87Å; E114-R116 PolarHBondContact O-N 2.73Å |
| 115 | Q | 55.7 | Low | 63.8 | Low | 168 Ų | 168 | 139.7 Ų | 139.7 | 79% | 0.785 | 66% | 0.663 | S | S | * | * | | | trans | -70.4 | 82.3 | -174.8 | -68.9 | 173.7 | 34 | 0 | 0 | 109 | F113 E117 | F113-Q115 PolarHBondContact O-N 2.57Å; Q115-E117 VanDerWaalsContact C-N 3.35Å; Q115-E117 PolarHBondContact O-N 2.76Å |
| 116 | R | 60.4 | Low | 64.4 | Low | 199 Ų | 199 | 140.4 Ų | 140.4 | 75% | 0.751 | 67% | 0.669 | S | S | * | * | | | trans | -57.5 | 108.4 | 155 | -66.9 | -171.8 | -176.9 | -164.4 | 1.5 | 105.6 | E114 V118 | E114-R116 PolarHBondContact O-N 2.73Å; R116-V118 PolarHBondContact O-N 3.04Å |
| 117 | E | 66.4 | Low | 64.9 | Low | 178 Ų | 178 | 140.9 Ų | 140.9 | 83% | 0.832 | 69% | 0.685 | S | S | * | * | | | trans | -62.5 | 89.3 | 169.6 | -68.8 | 158 | 136 | 0 | 0 | 106.4 | Q115 D119 | Q115-E117 VanDerWaalsContact C-N 3.35Å; Q115-E117 PolarHBondContact O-N 2.76Å; E117-D119 PolarHBondContact O-N 2.91Å |
| 118 | V | 75.8 | Confident | 65.4 | Low | 75 Ų | 75 | 140.5 Ų | 140.5 | 46% | 0.455 | 69% | 0.685 | S | S | . | * | | | trans | -68.9 | 107.2 | 176.1 | 176.6 | 0 | 0 | 0 | 0 | 105.7 | R116 Y120 | R116-V118 PolarHBondContact O-N 3.04Å; V118-Y120 HydrophobicContact CB-CD2 4.44Å; V118-Y120 HydrophobicContact CB-CE1 4.28Å; V118-Y120 HydrophobicContact CB-CE2 3.84Å; V118-Y120 HydrophobicContact CG1-CD1 4.08Å; V118-Y120 HydrophobicContact CG1-CE1 3.59Å; V118-Y120 HydrophobicContact CG1-CE2 4.06Å; V118-Y120 WeakPolarHBondContact O-CD2 3.19Å; V118-Y120 WeakPolarHBondContact O-CE2 3.46Å; V118-Y120 PolarHBondContact O-N 3.06Å |
| 119 | D | 79.4 | Confident | 65.7 | Low | 130 Ų | 130 | 142.9 Ų | 142.9 | 70% | 0.695 | 69% | 0.693 | S | S | * | * | | | trans | -64 | 76.9 | -178.2 | -92.2 | -51.8 | 0 | 0 | 0 | 112.3 | E117 S121 G122 | E117-D119 PolarHBondContact O-N 2.91Å; D119-S121 PolarHBondContact O-N 2.86Å; D119-S121 VanDerWaalsContact O-N 3.1Å; D119-S121 PolarHBondContact OD1-OG 3.01Å; D119-G122 PolarHBondContact O-N 2.66Å; D119-G122 VanDerWaalsContact O-N 3.11Å |
| 120 | Y | 72.7 | Confident | 65.7 | Low | 161 Ų | 161 | 145.7 Ų | 145.7 | 63% | 0.631 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -64.3 | -8.8 | 171.5 | -60.3 | -65.6 | 0 | 0 | 0 | 112.1 | V118 G122 L123 | V118-Y120 HydrophobicContact CB-CD2 4.44Å; V118-Y120 HydrophobicContact CB-CE1 4.28Å; V118-Y120 HydrophobicContact CB-CE2 3.84Å; V118-Y120 HydrophobicContact CG1-CD1 4.08Å; V118-Y120 HydrophobicContact CG1-CE1 3.59Å; V118-Y120 HydrophobicContact CG1-CE2 4.06Å; V118-Y120 WeakPolarHBondContact O-CD2 3.19Å; V118-Y120 WeakPolarHBondContact O-CE2 3.46Å; V118-Y120 PolarHBondContact O-N 3.06Å; Y120-G122 PolarHBondContact O-N 2.9Å; Y120-L123 HydrophobicContact CD1-CD2 4.29Å; Y120-L123 WeakPolarHBondContact O-CA 3.39Å; Y120-L123 VanDerWaalsContact O-CB 3.23Å; Y120-L123 WeakPolarHBondContact O-CB 3.43Å; Y120-L123 PolarHBondContact O-N 3.33Å |
| 121 | S | 72.3 | Confident | 65.5 | Low | 104 Ų | 104 | 138.4 Ų | 138.4 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -55 | -32.4 | 166 | 59 | 0 | 0 | 0 | 0 | 113.2 | D119 L123 | D119-S121 PolarHBondContact O-N 2.86Å; D119-S121 VanDerWaalsContact O-N 3.1Å; D119-S121 PolarHBondContact OD1-OG 3.01Å; S121-L123 VanDerWaalsContact C-N 3.34Å |
| 122 | G | 78 | Confident | 65.1 | Low | 64 Ų | 64 | 139.6 Ų | 139.6 | 66% | 0.66 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -79.1 | -14 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D119 Y120 R124 | D119-G122 PolarHBondContact O-N 2.66Å; D119-G122 VanDerWaalsContact O-N 3.11Å; Y120-G122 PolarHBondContact O-N 2.9Å; G122-R124 PolarHBondContact O-N 2.68Å |
| 123 | L | 78.6 | Confident | 65.2 | Low | 110 Ų | 110 | 140.7 Ų | 140.7 | 58% | 0.576 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -82.1 | 103.6 | 179.6 | -160.8 | 73.1 | 0 | 0 | 0 | 108.9 | Y120 S121 V125 | Y120-L123 HydrophobicContact CD1-CD2 4.29Å; Y120-L123 WeakPolarHBondContact O-CA 3.39Å; Y120-L123 VanDerWaalsContact O-CB 3.23Å; Y120-L123 WeakPolarHBondContact O-CB 3.43Å; Y120-L123 PolarHBondContact O-N 3.33Å; S121-L123 VanDerWaalsContact C-N 3.34Å; L123-V125 VanDerWaalsContact C-N 3.29Å; L123-V125 HydrophobicContact CB-CG2 4.32Å; L123-V125 HydrophobicContact CD2-CG2 4.22Å; L123-V125 HydrophobicContact CG-CG2 4.27Å; L123-V125 WeakPolarHBondContact O-CG2 3.2Å; L123-V125 PolarHBondContact O-N 2.78Å |
| 124 | R | 75.9 | Confident | 65.4 | Low | 228 Ų | 228 | 141.7 Ų | 141.7 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | | | trans | -71.5 | 80.5 | 179.6 | -65.8 | -174.2 | -65.4 | 148 | 1.4 | 111.3 | G122 Q126 | G122-R124 PolarHBondContact O-N 2.68Å; R124-Q126 PolarHBondContact O-N 3.14Å |
| 125 | V | 72.9 | Confident | 64.8 | Low | 60 Ų | 60 | 141.7 Ų | 141.7 | 36% | 0.364 | 72% | 0.717 | S | S | . | * | | | trans | -76.1 | 46 | -176.5 | -148.4 | 0 | 0 | 0 | 0 | 113 | L123 A127 M128 Q129 | L123-V125 VanDerWaalsContact C-N 3.29Å; L123-V125 HydrophobicContact CB-CG2 4.32Å; L123-V125 HydrophobicContact CD2-CG2 4.22Å; L123-V125 HydrophobicContact CG-CG2 4.27Å; L123-V125 WeakPolarHBondContact O-CG2 3.2Å; L123-V125 PolarHBondContact O-N 2.78Å; V125-A127 PolarHBondContact O-N 2.89Å; V125-M128 HydrophobicContact CG1-CB 3.68Å; V125-M128 HydrophobicContact CG1-CG 3.71Å; V125-M128 HydrophobicContact CG1-SD 3.65Å; V125-M128 PolarHBondContact O-N 2.73Å; V125-Q129 PolarHBondContact O-N 2.83Å; V125-Q129 VanDerWaalsContact O-N 3.14Å |
| 126 | Q | 67.6 | Low | 64.6 | Low | 150 Ų | 150 | 141.3 Ų | 141.3 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -23.1 | -178.4 | -167.3 | 175.1 | 16.2 | 0 | 0 | 113 | R124 | R124-Q126 PolarHBondContact O-N 3.14Š|
| 127 | A | 63.8 | Low | 64.1 | Low | 105 Ų | 105 | 139.5 Ų | 139.5 | 87% | 0.868 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -10.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V125 | V125-A127 PolarHBondContact O-N 2.89Š|
| 128 | M | 62.9 | Low | 63.3 | Low | 148 Ų | 148 | 137.4 Ų | 137.4 | 73% | 0.729 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | -9.8 | 167.5 | -67.2 | 176.7 | 59.7 | 0 | 0 | 112.5 | V125 I130 | V125-M128 HydrophobicContact CG1-CB 3.68Å; V125-M128 HydrophobicContact CG1-CG 3.71Å; V125-M128 HydrophobicContact CG1-SD 3.65Å; V125-M128 PolarHBondContact O-N 2.73Å; M128-I130 PolarHBondContact O-N 2.81Å |
| 129 | Q | 62.6 | Low | 62.3 | Low | 150 Ų | 150 | 142.1 Ų | 142.1 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | | | trans | -75.2 | 56.3 | 169.3 | -68.5 | -176.4 | -55.4 | 0 | 0 | 112.1 | V125 | V125-Q129 PolarHBondContact O-N 2.83Å; V125-Q129 VanDerWaalsContact O-N 3.14Å |
| 130 | I | 56.5 | Low | 61.3 | Low | 159 Ų | 159 | 145 Ų | 145 | 82% | 0.815 | 74% | 0.743 | S | S | * | * | | | trans | -67.9 | 131.3 | 137.7 | 48.4 | 174.8 | 0 | 0 | 0 | 106.4 | M128 | M128-I130 PolarHBondContact O-N 2.81Š|
| 131 | S | 52.7 | Low | 60.5 | Low | 79 Ų | 79 | 146.8 Ų | 146.8 | 55% | 0.552 | 75% | 0.749 | S | S | * | * | | | trans | -80.2 | 128.7 | -158.1 | 45.2 | 0 | 0 | 0 | 0 | 113.7 | K133 | S131-K133 PolarHBondContact O-N 3.28Š|
| 132 | E | 52.8 | Low | 59.6 | Low | 204 Ų | 204 | 149.2 Ų | 149.2 | 95% | 0.953 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 61.5 | 158.1 | -170.6 | -166.2 | 124.8 | 0 | 0 | 110.3 | | |
| 133 | K | 54.8 | Low | 58.2 | Low | 179 Ų | 179 | 151.3 Ų | 151.3 | 78% | 0.778 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.8 | 13.3 | -175.1 | -161.5 | 135.5 | -163.9 | 64.2 | 0 | 114.7 | S131 | S131-K133 PolarHBondContact O-N 3.28Š|
| 134 | E | 50.2 | Low | 57.2 | Low | 173 Ų | 173 | 152.7 Ų | 152.7 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -144.3 | 10.3 | 178.8 | -143.9 | 160.6 | -159.9 | 0 | 0 | 114.8 | | |
| 135 | D | 48.6 | Very low | 56.2 | Low | 151 Ų | 151 | 144.1 Ų | 144.1 | 81% | 0.807 | 74% | 0.743 | S | S | * | * | | | trans | -117.3 | 24.7 | 179.4 | -79.7 | -66.8 | 0 | 0 | 0 | 113.4 | D137 | D135-D137 PolarHBondContact O-N 2.86Š|
| 136 | D | 51.9 | Low | 55.1 | Low | 160 Ų | 160 | 148.5 Ų | 148.5 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | | | trans | -81.2 | 31.7 | -177.8 | -156.3 | 16.3 | 0 | 0 | 0 | 112.8 | | |
| 137 | D | 51 | Low | 54.4 | Low | 161 Ų | 161 | 148.5 Ų | 148.5 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | | | trans | -149.8 | 35.4 | -165.1 | -150.5 | -0.7 | 0 | 0 | 0 | 114.2 | D135 | D135-D137 PolarHBondContact O-N 2.86Š|
| 138 | N | 48.1 | Very low | 54.1 | Low | 135 Ų | 135 | 155.7 Ų | 155.7 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | trans | -128.8 | 17.1 | 179 | -167 | 34 | 0 | 0 | 0 | 115 | K140 | N138-K140 PolarHBondContact O-N 2.76Š|
| 139 | E | 56.3 | Low | 54 | Low | 173 Ų | 173 | 157.1 Ų | 157.1 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 40.2 | -176.5 | -59.4 | -163.5 | 126.4 | 0 | 0 | 114.9 | | |
| 140 | K | 56.8 | Low | 53.5 | Low | 191 Ų | 191 | 159.1 Ų | 159.1 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.5 | 13.8 | -171.7 | -72.6 | -68.1 | 163.6 | -83.4 | 0 | 117.2 | N138 | N138-K140 PolarHBondContact O-N 2.76Š|
| 141 | R | 56.9 | Low | 52.9 | Low | 199 Ų | 199 | 155.4 Ų | 155.4 | 75% | 0.751 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -132.4 | 116.1 | 165.1 | -91 | -164.4 | 158.4 | -70.9 | -6.5 | 114.3 | | |
| 142 | E | 52.4 | Low | 52.4 | Low | 155 Ų | 155 | 155.1 Ų | 155.1 | 72% | 0.724 | 80% | 0.799 | S | S | * | * | | | trans | 1.4 | 121.7 | 149.9 | -61.2 | 158.6 | 131 | 0 | 0 | 117.5 | | |
| 143 | D | 49.4 | Very low | 52.5 | Low | 108 Ų | 108 | 149.9 Ų | 149.9 | 58% | 0.578 | 80% | 0.799 | S | S | * | * | | | trans | 12.6 | 110.5 | 140.9 | 175.6 | 39 | 0 | 0 | 0 | 118.5 | G145 D146 | D143-G145 WeakPolarHBondContact OD1-CA 2.99Å; D143-G145 PolarHBondContact OD1-N 3.07Å; D143-D146 PolarHBondContact OD1-N 2.75Å |
| 144 | P | 57.5 | Low | 52.3 | Low | 138 Ų | 138 | 145.1 Ų | 145.1 | 90% | 0.896 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -120.5 | 30.9 | 153.8 | 39.9 | -29.5 | 0 | 0 | 0 | 112 | | |
| 145 | G | 53.9 | Low | 52.4 | Low | 48 Ų | 48 | 142.9 Ų | 142.9 | 50% | 0.495 | 81% | 0.805 | S | S | . | * | | | trans | -100.2 | -36.7 | -175 | 0 | 0 | 0 | 0 | 0 | 114.9 | D143 N147 | D143-G145 WeakPolarHBondContact OD1-CA 2.99Å; D143-G145 PolarHBondContact OD1-N 3.07Å; G145-N147 VanDerWaalsContact C-N 3.26Å; G145-N147 PolarHBondContact O-N 3.25Å |
| 146 | D | 51.5 | Low | 52.6 | Low | 153 Ų | 153 | 139.1 Ų | 139.1 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -83.4 | 34.9 | -165.9 | -74.5 | -10.8 | 0 | 0 | 0 | 115.3 | D143 | D143-D146 PolarHBondContact OD1-N 2.75Š|
| 147 | N | 53 | Low | 52.7 | Low | 150 Ų | 150 | 135.4 Ų | 135.4 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | | | trans | -144.2 | 72.3 | 175.9 | -167.4 | 104.7 | 0 | 0 | 0 | 113.6 | G145 | G145-N147 VanDerWaalsContact C-N 3.26Å; G145-N147 PolarHBondContact O-N 3.25Å |
| 148 | W | 55.5 | Low | 53 | Low | 256 Ų | 256 | 136.8 Ų | 136.8 | 97% | 0.97 | 80% | 0.795 | S | S | * | * | | | trans | -141.6 | 5.5 | 160.1 | 76.1 | -13.5 | 0 | 0 | 0 | 115.9 | | |
| 149 | E | 61.5 | Low | 53.4 | Low | 178 Ų | 178 | 140.1 Ų | 140.1 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -86.2 | 156.2 | 162.6 | -165.7 | 160.4 | 110.2 | 0 | 0 | 109.7 | | |
| 150 | E | 51.9 | Low | 53.4 | Low | 191 Ų | 191 | 137.2 Ų | 137.2 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 62.1 | 64.9 | 178.8 | -156.1 | 69.7 | -161 | 0 | 0 | 116.5 | | |
| 151 | G | 45.3 | Very low | 53.4 | Low | 81 Ų | 81 | 130.7 Ų | 130.7 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | | | trans | 176.8 | 83.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 152 | G | 42.3 | Very low | 54.1 | Low | 73 Ų | 73 | 122.8 Ų | 122.8 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | | | cis | 133.5 | 134.2 | 31.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | G154 | G152-G154 PolarHBondContact O-N 2.78Š|
| 153 | G | 54.5 | Low | 54.9 | Low | 94 Ų | 94 | 121.4 Ų | 121.4 | 97% | 0.969 | 76% | 0.764 | S | S | * | * | | | trans | -64.7 | 97.7 | -166.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 154 | G | 49.4 | Very low | 55.5 | Low | 79 Ų | 79 | 127.7 Ų | 127.7 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | | | trans | -110.2 | 89.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G152 | G152-G154 PolarHBondContact O-N 2.78Š|
| 155 | S | 52.4 | Low | 56 | Low | 126 Ų | 126 | 127.2 Ų | 127.2 | 88% | 0.881 | 77% | 0.77 | S | S | * | * | | | trans | -82.9 | 132.8 | 166.2 | 59.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 156 | G | 53.6 | Low | 56.4 | Low | 73 Ų | 73 | 132.2 Ų | 132.2 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | trans | 137.7 | 130.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 157 | A | 52.7 | Low | 56.8 | Low | 81 Ų | 81 | 131.9 Ų | 131.9 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 63.3 | 159 | 159.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | K159 | A157-K159 PolarHBondContact O-N 3.05Š|
| 158 | E | 57.8 | Low | 56.9 | Low | 191 Ų | 191 | 128.6 Ų | 128.6 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | | | trans | 35.4 | 32 | 152.6 | 67.4 | -163.7 | 69.5 | 0 | 0 | 123.1 | S160 | E158-S160 VanDerWaalsContact C-N 3.33Å; E158-S160 PolarHBondContact O-N 2.93Å |
| 159 | K | 56.1 | Low | 56.5 | Low | 204 Ų | 204 | 122.4 Ų | 122.4 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | | | trans | -62.3 | 87.3 | 165 | 57.3 | 179.2 | 174.5 | -174.1 | 0 | 114.1 | A157 | A157-K159 PolarHBondContact O-N 3.05Š|
| 160 | S | 56.9 | Low | 55.7 | Low | 112 Ų | 112 | 120.8 Ų | 120.8 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | | | trans | 44.5 | 75.5 | 147.7 | -55.7 | 0 | 0 | 0 | 0 | 116.3 | E158 G162 | E158-S160 VanDerWaalsContact C-N 3.33Å; E158-S160 PolarHBondContact O-N 2.93Å; S160-G162 VanDerWaalsContact C-N 3.29Å; S160-G162 PolarHBondContact O-N 3.24Å |
| 161 | S | 56 | Low | 55.6 | Low | 55 Ų | 55 | 120.3 Ų | 120.3 | 39% | 0.385 | 77% | 0.768 | S | S | . | * | | | trans | -71.3 | 78.8 | 175.9 | -178.6 | 0 | 0 | 0 | 0 | 112.7 | N165 K166 | S161-N165 PolarHBondContact OG-O 3.24Å; S161-K166 PolarHBondContact O-NZ 2.74Å; S161-K166 VanDerWaalsContact O-NZ 3.12Å; S161-K166 WeakPolarHBondContact OG-CB 3.28Å; S161-K166 VanDerWaalsContact OG-CD 3.3Å; S161-K166 WeakPolarHBondContact OG-CD 3.23Å; S161-K166 WeakPolarHBondContact OG-CE 3.03Å; S161-K166 VanDerWaalsContact OG-CG 3.22Å; S161-K166 WeakPolarHBondContact OG-CG 2.77Å |
| 162 | G | 71.8 | Confident | 55.6 | Low | 32 Ų | 32 | 120.4 Ų | 120.4 | 33% | 0.33 | 76% | 0.761 | S | S | . | * | | | trans | -65.2 | 169.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S160 W164 N165 | S160-G162 VanDerWaalsContact C-N 3.29Å; S160-G162 PolarHBondContact O-N 3.24Å; G162-W164 PolarHBondContact O-N 3.46Å; G162-N165 PolarHBondContact O-N 2.73Å |
| 163 | P | 69.7 | Low | 55.9 | Low | 126 Ų | 126 | 122.8 Ų | 122.8 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -17.5 | -166.9 | 23.1 | -33.7 | 0 | 0 | 0 | 115.2 | | |
| 164 | W | 63.2 | Low | 55.3 | Low | 241 Ų | 241 | 124.3 Ų | 124.3 | 91% | 0.913 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -17.1 | 177.2 | -63 | 90.1 | 0 | 0 | 0 | 114 | G162 | G162-W164 PolarHBondContact O-N 3.46Š|
| 165 | N | 66.9 | Low | 54.8 | Low | 127 Ų | 127 | 124.8 Ų | 124.8 | 68% | 0.679 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -125.4 | 62.1 | -168.3 | -68.3 | -35.9 | 0 | 0 | 0 | 111.3 | S161 G162 | S161-N165 PolarHBondContact OG-O 3.24Å; G162-N165 PolarHBondContact O-N 2.73Å |
| 166 | K | 63.3 | Low | 54.9 | Low | 154 Ų | 154 | 124.8 Ų | 124.8 | 67% | 0.67 | 75% | 0.749 | S | S | * | * | | | trans | -138 | 72.5 | -173.5 | -151.7 | 149.8 | -151.3 | 151.3 | 0 | 112.8 | S161 A168 | S161-K166 PolarHBondContact O-NZ 2.74Å; S161-K166 VanDerWaalsContact O-NZ 3.12Å; S161-K166 WeakPolarHBondContact OG-CB 3.28Å; S161-K166 VanDerWaalsContact OG-CD 3.3Å; S161-K166 WeakPolarHBondContact OG-CD 3.23Å; S161-K166 WeakPolarHBondContact OG-CE 3.03Å; S161-K166 VanDerWaalsContact OG-CG 3.22Å; S161-K166 WeakPolarHBondContact OG-CG 2.77Å; K166-A168 PolarHBondContact O-N 3.02Å; K166-A168 VanDerWaalsContact O-N 3.14Å |
| 167 | T | 59.9 | Low | 54.3 | Low | 145 Ų | 145 | 128.1 Ų | 128.1 | 89% | 0.89 | 76% | 0.755 | S | S | * | * | | | trans | -68.3 | 104.5 | 171.7 | 47.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 168 | A | 54.2 | Low | 53.9 | Low | 81 Ų | 81 | 130.3 Ų | 130.3 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | | | trans | -66.6 | 141.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | K166 V170 | K166-A168 PolarHBondContact O-N 3.02Å; K166-A168 VanDerWaalsContact O-N 3.14Å; A168-V170 PolarHBondContact O-N 3.47Å |
| 169 | P | 47.9 | Very low | 53 | Low | 127 Ų | 127 | 127.2 Ų | 127.2 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | | | trans | -66.6 | 123.9 | 174.3 | 27.6 | -33.4 | 0 | 0 | 0 | 110.2 | Q171 | P169-Q171 PolarHBondContact O-N 3.41Å; P169-Q171 VanDerWaalsContact O-N 3.12Å |
| 170 | V | 43.8 | Very low | 52.2 | Low | 144 Ų | 144 | 123 Ų | 123 | 87% | 0.873 | 75% | 0.745 | S | S | * | * | | | trans | -76 | 101.2 | 179.9 | 178 | 0 | 0 | 0 | 0 | 109.8 | A168 | A168-V170 PolarHBondContact O-N 3.47Š|
| 171 | Q | 51 | Low | 51.7 | Low | 181 Ų | 181 | 125.4 Ų | 125.4 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 138.8 | 169.3 | -170.9 | 174.7 | 4.7 | 0 | 0 | 110.4 | P169 | P169-Q171 PolarHBondContact O-N 3.41Å; P169-Q171 VanDerWaalsContact O-N 3.12Å |
| 172 | A | 44.2 | Very low | 50.8 | Low | 82 Ų | 82 | 128 Ų | 128 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 147.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 173 | P | 47.8 | Very low | 50.6 | Low | 124 Ų | 124 | 130.4 Ų | 130.4 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 135 | -171.1 | 33 | -35 | 0 | 0 | 0 | 114.4 | | |
| 174 | P | 42.6 | Very low | 49.4 | Very low | 125 Ų | 125 | 130 Ų | 130 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 172.7 | 154.5 | 33.8 | -31.8 | 0 | 0 | 0 | 112.2 | | |
| 175 | A | 40.3 | Very low | 48.9 | Very low | 89 Ų | 89 | 122.2 Ų | 122.2 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 160.5 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 176 | P | 53.1 | Low | 48 | Very low | 127 Ų | 127 | 120 Ų | 120 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 151.1 | -171.3 | 34.2 | -36.3 | 0 | 0 | 0 | 114.8 | | |
| 177 | V | 41.9 | Very low | 47.2 | Very low | 143 Ų | 143 | 121 Ų | 121 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | | | trans | -135.8 | 163.4 | 170.2 | -164.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 178 | T | 43 | Very low | 47 | Very low | 127 Ų | 127 | 120.1 Ų | 120.1 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | | | trans | -122.3 | 176.8 | -152.1 | 45 | 0 | 0 | 0 | 0 | 115.4 | | |
| 179 | V | 40.4 | Very low | 46.8 | Very low | 125 Ų | 125 | 121.6 Ų | 121.6 | 76% | 0.758 | 75% | 0.746 | S | S | * | * | | | trans | 97.6 | 108.8 | 155.8 | -170.6 | 0 | 0 | 0 | 0 | 120.4 | | |
| 180 | T | 39.2 | Very low | 47.3 | Very low | 116 Ų | 116 | 119 Ų | 119 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | | | trans | 47.5 | 130.4 | 132.1 | -119.4 | 0 | 0 | 0 | 0 | 126.8 | | |
| 181 | E | 45.5 | Very low | 48.8 | Very low | 162 Ų | 162 | 119 Ų | 119 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | | | trans | 59.7 | 144.7 | 132.4 | -115.1 | -173.5 | 96.4 | 0 | 0 | 127.7 | | |
| 182 | T | 37.5 | Very low | 49.5 | Very low | 110 Ų | 110 | 119.8 Ų | 119.8 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | | | trans | 83.9 | 152 | 144.3 | -73.4 | 0 | 0 | 0 | 0 | 120.2 | | |
| 183 | P | 67 | Low | 50.7 | Low | 82 Ų | 82 | 123.5 Ų | 123.5 | 53% | 0.532 | 74% | 0.736 | S | S | . | * | | | trans | -125.9 | 160.3 | -142.8 | 44.2 | -33.6 | 0 | 0 | 0 | 122.3 | L64 | L64-P183 HydrophobicContact CD1-CB 4.46Å; L64-P183 HydrophobicContact CD2-CB 3.41Å; L64-P183 VanDerWaalsContact CD2-CB 3.41Å; L64-P183 HydrophobicContact CG-CB 3.68Å |
| 184 | E | 44.2 | Very low | 52 | Low | 117 Ų | 117 | 121.6 Ų | 121.6 | 55% | 0.547 | 72% | 0.723 | S | S | . | * | | | trans | 72.8 | 155.2 | 153.2 | -76.4 | -157.2 | 81.9 | 0 | 0 | 122.1 | G62 S63 L64 | G62-E184 CarbonylContact C-O 3.08Å; G62-E184 VanDerWaalsContact CA-O 3.26Å; G62-E184 WeakPolarHBondContact CA-O 3.5Å; G62-E184 CarbonylContact O-C 3.34Å; S63-E184 VanDerWaalsContact CA-C 3.42Å; S63-E184 PolarHBondContact N-O 2.54Å; L64-E184 HydrophobicContact CB-CG 4.37Å; L64-E184 HydrophobicContact CD1-CG 3.37Å; L64-E184 HydrophobicContact CG-CB 4.48Å; L64-E184 HydrophobicContact CG-CG 3.57Å |
| 185 | P | 53.7 | Low | 52.4 | Low | 78 Ų | 78 | 122.2 Ų | 122.2 | 51% | 0.506 | 73% | 0.728 | S | S | . | * | | | cis | -143 | 142.6 | -21.8 | 34.4 | -12.6 | 0 | 0 | 0 | 120 | G62 | G62-P185 CarbonylContact O-C 3.49Š|
| 186 | A | 48.5 | Very low | 53.1 | Low | 81 Ų | 81 | 119.7 Ų | 119.7 | 67% | 0.669 | 71% | 0.71 | S | S | * | * | | | trans | 76.3 | 139.3 | 139 | 0 | 0 | 0 | 0 | 0 | 125.3 | S63 | S63-A186 PolarHBondContact OG-N 3.11Š|
| 187 | M | 44.9 | Very low | 53.2 | Low | 175 Ų | 175 | 116.1 Ų | 116.1 | 86% | 0.862 | 69% | 0.691 | S | S | * | * | | | trans | -152.3 | 114.6 | 162.3 | -101.2 | -74.7 | -83.7 | 0 | 0 | 110.7 | | |
| 188 | P | 57.3 | Low | 54 | Low | 126 Ų | 126 | 119.7 Ų | 119.7 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | | | trans | -118.7 | 85.6 | -166.1 | 40 | -30.3 | 0 | 0 | 0 | 116.7 | | |
| 189 | S | 50.3 | Low | 54.5 | Low | 112 Ų | 112 | 120.6 Ų | 120.6 | 78% | 0.783 | 69% | 0.688 | S | S | * | * | | | trans | -159.3 | 142.9 | 170.5 | 57.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 190 | G | 58 | Low | 55.3 | Low | 74 Ų | 74 | 121.3 Ų | 121.3 | 76% | 0.763 | 69% | 0.693 | S | S | * | * | | | cis | -163.7 | 96.3 | -3.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 191 | V | 75.1 | Confident | 55.8 | Low | 143 Ų | 143 | 121.8 Ų | 121.8 | 87% | 0.867 | 70% | 0.696 | S | S | * | * | | | trans | -135.4 | 147.4 | 175.4 | -179.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 192 | Y | 65.1 | Low | 55.9 | Low | 197 Ų | 197 | 118.1 Ų | 118.1 | 77% | 0.773 | 69% | 0.685 | S | S | * | * | | | trans | -59 | 135.7 | -177.9 | 178.2 | -104.7 | 0 | 0 | 0 | 112.7 | P194 | Y192-P194 HydrophobicContact CE1-CB 3.97Å; Y192-P194 WeakPolarHBondContact O-CD 3.37Å |
| 193 | R | 69.9 | Low | 56.4 | Low | 160 Ų | 160 | 125 Ų | 125 | 60% | 0.604 | 70% | 0.699 | S | S | * | * | | | trans | -116.7 | 94.8 | -177.8 | -177.3 | 165.5 | 170.5 | -148.2 | -6.2 | 111.2 | A197 | R193-A197 HydrophobicContact CB-CB 4.19Å; R193-A197 HydrophobicContact CG-CB 4.12Å; R193-A197 PolarHBondContact NH1-O 3.1Å |
| 194 | P | 74.4 | Confident | 55.8 | Low | 84 Ų | 84 | 128.1 Ų | 128.1 | 55% | 0.545 | 70% | 0.704 | S | S | . | * | S | Bend | trans | -66.6 | 147.6 | 177.5 | 28.7 | -34.8 | 0 | 0 | 0 | 111.5 | Y192 G196 | Y192-P194 HydrophobicContact CE1-CB 3.97Å; Y192-P194 WeakPolarHBondContact O-CD 3.37Å; P194-G196 PolarHBondContact O-N 2.94Å |
| 195 | P | 52.3 | Low | 56.6 | Low | 139 Ų | 139 | 127.4 Ų | 127.4 | 90% | 0.903 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 32.2 | 1.1 | -173 | -34.7 | 9.4 | 0 | 0 | 0 | 123.3 | | |
| 196 | G | 53 | Low | 56.6 | Low | 36 Ų | 36 | 130 Ų | 130 | 37% | 0.371 | 73% | 0.725 | S | S | . | * | | | trans | -78 | -151.9 | 133.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | P194 | P194-G196 PolarHBondContact O-N 2.94Š|
| 197 | A | 56.4 | Low | 57.4 | Low | 52 Ų | 52 | 130.8 Ų | 130.8 | 43% | 0.43 | 72% | 0.715 | S | S | . | * | S | Bend | cis | -89.2 | 8.2 | 4.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R193 | R193-A197 HydrophobicContact CB-CB 4.19Å; R193-A197 HydrophobicContact CG-CB 4.12Å; R193-A197 PolarHBondContact NH1-O 3.1Å |
| 198 | R | 57.8 | Low | 58.8 | Low | 217 Ų | 217 | 125.2 Ų | 125.2 | 82% | 0.819 | 70% | 0.702 | S | S | * | * | | | trans | -123.6 | 126.6 | -146.3 | -65 | -177 | 178.6 | -131.6 | -4.2 | 114.4 | | |
| 199 | L | 54.5 | Low | 59.9 | Low | 146 Ų | 146 | 125 Ų | 125 | 76% | 0.764 | 70% | 0.7 | S | S | * | * | | | trans | 61.3 | 103.5 | 143.9 | -54.8 | 175.3 | 0 | 0 | 0 | 118.7 | T201 | L199-T201 PolarHBondContact O-N 3.32Š|
| 200 | T | 55.8 | Low | 61.3 | Low | 140 Ų | 140 | 122.9 Ų | 122.9 | 86% | 0.859 | 68% | 0.684 | S | S | * | * | | | | 21.8 | 94 | 125.9 | 55.8 | 0 | 0 | 0 | 0 | 117.3 | | |
| 201 | T | 50.8 | Low | 62.6 | Low | 126 Ų | 126 | 124.1 Ų | 124.1 | 77% | 0.773 | 67% | 0.67 | S | S | * | * | | | trans | -117.5 | 128.6 | 149.8 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | L199 | L199-T201 PolarHBondContact O-N 3.32Š|
| 202 | T | 46.5 | Very low | 63.2 | Low | 86 Ų | 86 | 123 Ų | 123 | 53% | 0.528 | 66% | 0.658 | S | S | . | * | | | trans | 34.1 | 106.7 | 178.5 | -179.2 | 0 | 0 | 0 | 0 | 116.7 | K204 | T202-K204 VanDerWaalsContact C-N 3.3Å; T202-K204 HydrophobicContact CG2-CD 4.37Å; T202-K204 PolarHBondContact O-N 2.88Å |
| 203 | R | 49.3 | Very low | 64 | Low | 253 Ų | 253 | 123.7 Ų | 123.7 | 96% | 0.955 | 66% | 0.661 | S | S | * | * | | | trans | -52.9 | 106.3 | 139.9 | -84.9 | -172.2 | 178.2 | -171.3 | 0.6 | 106.1 | | |
| 204 | K | 54.2 | Low | 64.8 | Low | 148 Ų | 148 | 117.2 Ų | 117.2 | 64% | 0.643 | 64% | 0.64 | S | S | * | * | | | trans | -69.1 | 149.8 | 150 | -61.8 | -62 | -179.2 | -178.5 | 0 | 106.9 | T202 | T202-K204 VanDerWaalsContact C-N 3.3Å; T202-K204 HydrophobicContact CG2-CD 4.37Å; T202-K204 PolarHBondContact O-N 2.88Å |
| 205 | T | 60.7 | Low | 65.1 | Low | 103 Ų | 103 | 117 Ų | 117 | 63% | 0.632 | 63% | 0.634 | S | S | * | * | | | trans | -53.6 | 173.2 | 166.5 | 28.1 | 0 | 0 | 0 | 0 | 111.3 | Q207 | T205-Q207 PolarHBondContact O-N 3.48Å; T205-Q207 PolarHBondContact OG1-OE1 2.86Å |
| 206 | P | 53.5 | Low | 66.6 | Low | 133 Ų | 133 | 116.3 Ų | 116.3 | 86% | 0.864 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -65.1 | 71.5 | 164 | 30 | -36.3 | 0 | 0 | 0 | 110.4 | | |
| 207 | Q | 66.3 | Low | 68.1 | Low | 97 Ų | 97 | 118.7 Ų | 118.7 | 45% | 0.453 | 63% | 0.629 | S | S | . | * | | | trans | -62.6 | 140.2 | 167.1 | -142.7 | 73.3 | 3.9 | 0 | 0 | 107.2 | T205 E211 | T205-Q207 PolarHBondContact O-N 3.48Å; T205-Q207 PolarHBondContact OG1-OE1 2.86Å; Q207-E211 PolarHBondContact NE2-OE1 3.34Å |
| 208 | G | 73.1 | Confident | 69.6 | Low | 58 Ų | 58 | 121.1 Ų | 121.1 | 60% | 0.598 | 63% | 0.63 | S | S | * | * | | | trans | -74.3 | -146.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 209 | P | 80.5 | Confident | 71 | Confident | 120 Ų | 120 | 115.7 Ų | 115.7 | 78% | 0.779 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -48.3 | 139.6 | 167.7 | -26.2 | 35.7 | 0 | 0 | 0 | 111.2 | | |
| 210 | P | 79.6 | Confident | 72.4 | Confident | 69 Ų | 69 | 111.1 Ų | 111.1 | 45% | 0.448 | 60% | 0.603 | S | S | . | * | | | trans | -62.2 | 140.7 | -173.4 | 26.9 | -35.5 | 0 | 0 | 0 | 111.2 | I212 F218 | P210-I212 PolarHBondContact O-N 3.08Å; P210-F218 HydrophobicContact CB-CE2 3.94Å; P210-F218 HydrophobicContact CB-CZ 4.22Å; P210-F218 HydrophobicContact CG-CE2 4.22Å; P210-F218 HydrophobicContact CG-CZ 4.08Å |
| 211 | E | 86.7 | Confident | 73.4 | Confident | 99 Ų | 99 | 112.1 Ų | 112.1 | 46% | 0.463 | 60% | 0.602 | S | S | . | * | | | trans | -78 | 113.3 | -172.5 | -72 | 169 | -136.3 | 0 | 0 | 109.7 | Q207 Y213 S214 | Q207-E211 PolarHBondContact NE2-OE1 3.34Å; E211-Y213 PolarHBondContact O-N 3.1Å; E211-S214 VanDerWaalsContact O-CB 3.26Å; E211-S214 WeakPolarHBondContact O-CB 3.44Å; E211-S214 PolarHBondContact O-N 2.71Å |
| 212 | I | 86.3 | Confident | 74.6 | Confident | 120 Ų | 120 | 112.7 Ų | 112.7 | 62% | 0.615 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -12.2 | -174.9 | 62.5 | 174 | 0 | 0 | 0 | 114.8 | P210 | P210-I212 PolarHBondContact O-N 3.08Š|
| 213 | Y | 82.7 | Confident | 75.8 | Confident | 212 Ų | 212 | 110.6 Ų | 110.6 | 83% | 0.831 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 3.3 | 175.9 | -53.4 | -62.2 | 0 | 0 | 0 | 113.3 | E211 D215 | E211-Y213 PolarHBondContact O-N 3.1Å; Y213-D215 PolarHBondContact O-N 3.05Å |
| 214 | S | 85.4 | Confident | 76.4 | Confident | 23 Ų | 23 | 103.5 Ų | 103.5 | 16% | 0.161 | 57% | 0.57 | C | S | . | * | | | trans | -80.2 | 102.6 | 178.2 | 179.7 | 0 | 0 | 0 | 0 | 110.3 | E211 T216 Q217 F218 | E211-S214 VanDerWaalsContact O-CB 3.26Å; E211-S214 WeakPolarHBondContact O-CB 3.44Å; E211-S214 PolarHBondContact O-N 2.71Å; S214-T216 PolarHBondContact O-N 2.91Å; S214-T216 PolarHBondContact OG-OG1 2.98Å; S214-Q217 PolarHBondContact O-N 3.23Å; S214-F218 PolarHBondContact O-N 2.74Å |
| 215 | D | 82.4 | Confident | 76.8 | Confident | 81 Ų | 81 | 98.4 Ų | 98.4 | 43% | 0.433 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -50.1 | -20 | 171.3 | -97.3 | -45.6 | 0 | 0 | 0 | 113.6 | Y213 P219 S223 | Y213-D215 PolarHBondContact O-N 3.05Å; D215-P219 WeakPolarHBondContact O-CA 3.03Å; D215-S223 PolarHBondContact OD1-OG 3.3Å |
| 216 | T | 83.3 | Confident | 76.7 | Confident | 124 Ų | 124 | 100.6 Ų | 100.6 | 76% | 0.761 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -20.7 | 177.9 | 67.7 | 0 | 0 | 0 | 0 | 114.6 | S214 | S214-T216 PolarHBondContact O-N 2.91Å; S214-T216 PolarHBondContact OG-OG1 2.98Å |
| 217 | Q | 84.1 | Confident | 76.8 | Confident | 85 Ų | 85 | 99.7 Ų | 99.7 | 40% | 0.397 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -35.2 | 175.8 | -66.4 | -177.9 | -60 | 0 | 0 | 111.5 | S214 | S214-Q217 PolarHBondContact O-N 3.23Š|
| 218 | F | 87.8 | Confident | 76.4 | Confident | 103 Ų | 103 | 98.2 Ų | 98.2 | 45% | 0.452 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -129.4 | 88.3 | 175.5 | -59.6 | -73.7 | 0 | 0 | 0 | 109 | P210 S214 S220 | P210-F218 HydrophobicContact CB-CE2 3.94Å; P210-F218 HydrophobicContact CB-CZ 4.22Å; P210-F218 HydrophobicContact CG-CE2 4.22Å; P210-F218 HydrophobicContact CG-CZ 4.08Å; S214-F218 PolarHBondContact O-N 2.74Å; F218-S220 PolarHBondContact O-N 2.67Å |
| 219 | P | 87.3 | Confident | 75.7 | Confident | 104 Ų | 104 | 101 Ų | 101 | 68% | 0.675 | 54% | 0.535 | S | S | * | . | | | trans | -58.8 | 113.1 | 177.5 | -24.4 | 35 | 0 | 0 | 0 | 110.5 | D215 | D215-P219 WeakPolarHBondContact O-CA 3.03Š|
| 220 | S | 84.3 | Confident | 74.7 | Confident | 49 Ų | 49 | 98.1 Ų | 98.1 | 34% | 0.343 | 52% | 0.518 | S | S | . | . | | | trans | -68.5 | 150.8 | -177.4 | 94 | 0 | 0 | 0 | 0 | 111.3 | F218 Q222 S223 | F218-S220 PolarHBondContact O-N 2.67Å; S220-Q222 PolarHBondContact O-N 2.77Å; S220-Q222 VanDerWaalsContact O-N 3.11Å; S220-Q222 PolarHBondContact OG-N 2.78Å; S220-S223 WeakPolarHBondContact O-CB 3.48Å; S220-S223 PolarHBondContact O-N 2.71Å; S220-S223 PolarHBondContact O-OG 3.11Å; S220-S223 PolarHBondContact OG-N 2.98Å; S220-S223 PolarHBondContact OG-OG 3.01Å |
| 221 | L | 77.4 | Confident | 73.7 | Confident | 161 Ų | 161 | 102.6 Ų | 102.6 | 84% | 0.843 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -17.6 | 173.8 | -64.4 | 176.5 | 0 | 0 | 0 | 112.9 | T224 | L221-T224 PolarHBondContact O-OG1 2.89Š|
| 222 | Q | 74.6 | Confident | 72.4 | Confident | 139 Ų | 139 | 105.5 Ų | 105.5 | 65% | 0.65 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -16 | 174.2 | -59.9 | -62.2 | -64.1 | 0 | 0 | 112.6 | S220 T224 A225 | S220-Q222 PolarHBondContact O-N 2.77Å; S220-Q222 VanDerWaalsContact O-N 3.11Å; S220-Q222 PolarHBondContact OG-N 2.78Å; Q222-T224 VanDerWaalsContact C-N 3.29Å; Q222-T224 PolarHBondContact O-N 3.35Å; Q222-A225 WeakPolarHBondContact O-CB 3.5Å; Q222-A225 PolarHBondContact O-N 3.36Å |
| 223 | S | 71.5 | Confident | 70.9 | Confident | 41 Ų | 41 | 109.4 Ų | 109.4 | 29% | 0.287 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -19 | -174.1 | -54.8 | 0 | 0 | 0 | 0 | 112.5 | D215 S220 | D215-S223 PolarHBondContact OD1-OG 3.3Å; S220-S223 WeakPolarHBondContact O-CB 3.48Å; S220-S223 PolarHBondContact O-N 2.71Å; S220-S223 PolarHBondContact O-OG 3.11Å; S220-S223 PolarHBondContact OG-N 2.98Å; S220-S223 PolarHBondContact OG-OG 3.01Å |
| 224 | T | 62.2 | Low | 69.7 | Low | 104 Ų | 104 | 106.4 Ų | 106.4 | 64% | 0.638 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -29.1 | 169.2 | 58 | 0 | 0 | 0 | 0 | 113.1 | L221 Q222 K226 H227 | L221-T224 PolarHBondContact O-OG1 2.89Å; Q222-T224 VanDerWaalsContact C-N 3.29Å; Q222-T224 PolarHBondContact O-N 3.35Å; T224-K226 VanDerWaalsContact C-N 3.34Å; T224-K226 PolarHBondContact O-N 3.32Å; T224-H227 WeakPolarHBondContact O-CB 3.43Å; T224-H227 PolarHBondContact O-N 2.94Å |
| 225 | A | 62.6 | Low | 67.7 | Low | 41 Ų | 41 | 118.4 Ų | 118.4 | 34% | 0.339 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -62.6 | -40.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q222 H227 V228 | Q222-A225 WeakPolarHBondContact O-CB 3.5Å; Q222-A225 PolarHBondContact O-N 3.36Å; A225-H227 PolarHBondContact O-N 3.26Å; A225-V228 VanDerWaalsContact O-CB 3.32Å; A225-V228 WeakPolarHBondContact O-CB 3.37Å; A225-V228 WeakPolarHBondContact O-CG2 3.35Å; A225-V228 PolarHBondContact O-N 2.98Å |
| 226 | K | 58.5 | Low | 66.9 | Low | 150 Ų | 150 | 120.3 Ų | 120.3 | 65% | 0.652 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -58.7 | -10.7 | 174.1 | -62.4 | 176 | -177.2 | 169.2 | 0 | 114.5 | T224 E229 | T224-K226 VanDerWaalsContact C-N 3.34Å; T224-K226 PolarHBondContact O-N 3.32Å; K226-E229 WeakPolarHBondContact CA-OE2 3.47Å |
| 227 | H | 56.9 | Low | 66.1 | Low | 113 Ų | 113 | 120.1 Ų | 120.1 | 52% | 0.523 | 59% | 0.591 | S | S | . | * | G | 310 helix | trans | -98.1 | 13.8 | 174.7 | -156.1 | -105.7 | 0 | 0 | 0 | 112.7 | T224 A225 R231 | T224-H227 WeakPolarHBondContact O-CB 3.43Å; T224-H227 PolarHBondContact O-N 2.94Å; A225-H227 PolarHBondContact O-N 3.26Å; H227-R231 PolarHBondContact ND1-NH2 3.07Å; H227-R231 VanDerWaalsContact O-CZ 3.31Å; H227-R231 PolarHBondContact O-NE 3.34Å; H227-R231 PolarHBondContact O-NH2 2.96Å |
| 228 | V | 56.7 | Low | 65.1 | Low | 67 Ų | 67 | 122 Ų | 122 | 41% | 0.406 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.8 | -35 | 175.1 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | A225 S230 R231 | A225-V228 VanDerWaalsContact O-CB 3.32Å; A225-V228 WeakPolarHBondContact O-CB 3.37Å; A225-V228 WeakPolarHBondContact O-CG2 3.35Å; A225-V228 PolarHBondContact O-N 2.98Å; V228-S230 PolarHBondContact O-N 3.42Å; V228-R231 PolarHBondContact O-N 2.54Å |
| 229 | E | 59.3 | Low | 63.8 | Low | 116 Ų | 116 | 123.1 Ų | 123.1 | 54% | 0.542 | 61% | 0.611 | S | S | . | * | G | 310 helix | trans | -61.9 | -42.3 | 176.7 | -68.1 | 79.4 | -159.3 | 0 | 0 | 112.5 | K226 R231 K232 | K226-E229 WeakPolarHBondContact CA-OE2 3.47Å; E229-R231 PolarHBondContact O-N 3Å; E229-R231 VanDerWaalsContact O-N 3.17Å; E229-K232 PolarHBondContact O-N 2.89Å; E229-K232 VanDerWaalsContact O-N 3.13Å |
| 230 | S | 59.7 | Low | 62.3 | Low | 59 Ų | 59 | 124.3 Ų | 124.3 | 41% | 0.413 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -61.8 | -25.4 | -177.1 | 58.4 | 0 | 0 | 0 | 0 | 114.3 | V228 K232 | V228-S230 PolarHBondContact O-N 3.42Å; S230-K232 VanDerWaalsContact C-N 3.33Å |
| 231 | R | 57.9 | Low | 60.8 | Low | 163 Ų | 163 | 129.3 Ų | 129.3 | 62% | 0.615 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -80.4 | -8.7 | 179.5 | -86.3 | 177 | -81.8 | -172.7 | -1.3 | 114.2 | H227 V228 E229 Y233 | H227-R231 PolarHBondContact ND1-NH2 3.07Å; H227-R231 VanDerWaalsContact O-CZ 3.31Å; H227-R231 PolarHBondContact O-NE 3.34Å; H227-R231 PolarHBondContact O-NH2 2.96Å; V228-R231 PolarHBondContact O-N 2.54Å; E229-R231 PolarHBondContact O-N 3Å; E229-R231 VanDerWaalsContact O-N 3.17Å; R231-Y233 VanDerWaalsContact C-N 3.3Å; R231-Y233 PolarHBondContact O-N 3.38Å |
| 232 | K | 60.4 | Low | 59.6 | Low | 161 Ų | 161 | 127.1 Ų | 127.1 | 70% | 0.7 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -86.5 | 5.1 | -178 | -59.2 | -172.2 | -179 | -178.6 | 0 | 114.4 | E229 S230 | E229-K232 PolarHBondContact O-N 2.89Å; E229-K232 VanDerWaalsContact O-N 3.13Å; S230-K232 VanDerWaalsContact C-N 3.33Å |
| 233 | Y | 54.8 | Low | 58.5 | Low | 201 Ų | 201 | 126.2 Ų | 126.2 | 79% | 0.788 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -119.8 | 14.7 | -177.6 | -62.7 | -77.3 | 0 | 0 | 0 | 114 | R231 | R231-Y233 VanDerWaalsContact C-N 3.3Å; R231-Y233 PolarHBondContact O-N 3.38Å |
| 234 | L | 57 | Low | 57.4 | Low | 149 Ų | 149 | 133.3 Ų | 133.3 | 78% | 0.78 | 63% | 0.633 | S | S | * | * | | | trans | -118.2 | 51 | 177.9 | -95.4 | 81.4 | 0 | 0 | 0 | 112.8 | | |
| 235 | K | 42.8 | Very low | 57 | Low | 275 Ų | 275 | 135.9 Ų | 135.9 | 100% | 1.196 | 63% | 0.632 | S | S | * | * | | | trans | -152.6 | 0 | 155.4 | -147.2 | 73.5 | -179.9 | -176.3 | 0 | 111 | | |