| 1 | M | 36.7 | Very low | 30 | Very low | 243 Ų | 243 | 118 Ų | 118 | 100% | 1.197 | 85% | 0.854 | S | S | * | * | | | | 0 | 112.1 | 0 | -74.7 | 169.1 | 178.9 | 0 | 0 | 107.7 | | |
| 2 | S | 30.8 | Very low | 30.1 | Very low | 116 Ų | 116 | 115.4 Ų | 115.4 | 81% | 0.811 | 83% | 0.833 | S | S | * | * | | | trans | -62.6 | 136.5 | -177.2 | -50.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 3 | C | 28.1 | Very low | 30 | Very low | 133 Ų | 133 | 115.3 Ų | 115.3 | 90% | 0.899 | 83% | 0.831 | S | S | * | * | | | trans | -101.3 | 104.5 | 150.1 | -72.2 | 0 | 0 | 0 | 0 | 106.6 | | |
| 4 | C | 28.6 | Very low | 30.1 | Very low | 122 Ų | 122 | 117 Ų | 117 | 82% | 0.824 | 84% | 0.838 | S | S | * | * | | | trans | -54.3 | 141.7 | 176.7 | -84.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 5 | G | 29.9 | Very low | 30 | Very low | 64 Ų | 64 | 114.2 Ų | 114.2 | 66% | 0.66 | 83% | 0.834 | S | S | * | * | | | trans | -60.5 | 142.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 6 | C | 28.1 | Very low | 30.3 | Very low | 139 Ų | 139 | 111.5 Ų | 111.5 | 94% | 0.939 | 83% | 0.828 | S | S | * | * | | | trans | -104.9 | 82.1 | 144.8 | -80.4 | 0 | 0 | 0 | 0 | 106.9 | G8 | C6-G8 PolarHBondContact O-N 2.81Š|
| 7 | S | 33.4 | Very low | 30.3 | Very low | 128 Ų | 128 | 111.1 Ų | 111.1 | 90% | 0.895 | 82% | 0.821 | S | S | * | * | | | trans | -70.2 | 95.4 | 160.6 | -40.8 | 0 | 0 | 0 | 0 | 106.9 | | |
| 8 | G | 27.7 | Very low | 30.3 | Very low | 71 Ų | 71 | 108.5 Ų | 108.5 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | | | trans | -160.3 | 84.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | C6 | C6-G8 PolarHBondContact O-N 2.81Š|
| 9 | G | 30.1 | Very low | 30.8 | Very low | 77 Ų | 77 | 109.8 Ų | 109.8 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | | | trans | -67.6 | 138.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 10 | C | 28.7 | Very low | 31 | Very low | 133 Ų | 133 | 109.7 Ų | 109.7 | 90% | 0.899 | 82% | 0.815 | S | S | * | * | | | trans | -156.7 | 92.5 | 144.5 | -85.5 | 0 | 0 | 0 | 0 | 103.6 | | |
| 11 | G | 28.1 | Very low | 31.1 | Very low | 72 Ų | 72 | 108.2 Ų | 108.2 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | | | | 92 | 104.7 | 52.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 12 | S | 30.9 | Very low | 31.1 | Very low | 87 Ų | 87 | 101.9 Ų | 101.9 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | | | trans | 106.4 | 81.8 | 169.3 | -44.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 13 | S | 28.4 | Very low | 31.1 | Very low | 114 Ų | 114 | 106 Ų | 106 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | | | trans | 32.5 | 94.2 | 134.2 | 39.1 | 0 | 0 | 0 | 0 | 118.2 | G15 | S13-G15 VanDerWaalsContact C-N 3.31Å; S13-G15 PolarHBondContact O-N 3Å |
| 14 | C | 31.3 | Very low | 31.2 | Very low | 139 Ų | 139 | 105.3 Ų | 105.3 | 94% | 0.939 | 78% | 0.777 | S | S | * | * | | | trans | -64.7 | 93.5 | 152.2 | -67 | 0 | 0 | 0 | 0 | 108.4 | G16 | C14-G16 PolarHBondContact O-N 3.34Å; C14-G16 VanDerWaalsContact O-N 3.12Å |
| 15 | G | 29.1 | Very low | 31.5 | Very low | 75 Ų | 75 | 105.3 Ų | 105.3 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | trans | -66.9 | 106.2 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | S13 | S13-G15 VanDerWaalsContact C-N 3.31Å; S13-G15 PolarHBondContact O-N 3Å |
| 16 | G | 34.2 | Very low | 31.5 | Very low | 71 Ų | 71 | 108 Ų | 108 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | | | trans | 63.5 | 80.2 | 151.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | C14 | C14-G16 PolarHBondContact O-N 3.34Å; C14-G16 VanDerWaalsContact O-N 3.12Å |
| 17 | C | 31.7 | Very low | 31.6 | Very low | 105 Ų | 105 | 105.7 Ų | 105.7 | 71% | 0.709 | 77% | 0.765 | S | S | * | * | | | trans | -112.2 | 116.7 | 145 | -76.4 | 0 | 0 | 0 | 0 | 107.7 | S19 | C17-S19 PolarHBondContact O-N 3.28Š|
| 18 | G | 30.1 | Very low | 31.4 | Very low | 64 Ų | 64 | 105.8 Ų | 105.8 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | | | trans | -50.4 | 134.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | S20 | G18-S20 PolarHBondContact O-N 3.2Š|
| 19 | S | 39.9 | Very low | 31.3 | Very low | 133 Ų | 133 | 110.3 Ų | 110.3 | 93% | 0.93 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 34.2 | -158.5 | -37.1 | 0 | 0 | 0 | 0 | 116.6 | C17 | C17-S19 PolarHBondContact O-N 3.28Š|
| 20 | S | 35 | Very low | 31.3 | Very low | 108 Ų | 108 | 113 Ų | 113 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.3 | 5.4 | -173.9 | 59.5 | 0 | 0 | 0 | 0 | 116.3 | G18 | G18-S20 PolarHBondContact O-N 3.2Š|
| 21 | C | 32.1 | Very low | 31.5 | Very low | 79 Ų | 79 | 111.2 Ų | 111.2 | 53% | 0.534 | 75% | 0.752 | S | S | . | * | S | Bend | trans | -128.7 | 17.5 | -172.3 | -68.8 | 0 | 0 | 0 | 0 | 116.5 | | |
| 22 | C | 36.3 | Very low | 31.7 | Very low | 110 Ų | 110 | 113.8 Ų | 113.8 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | | | trans | -120.8 | 112.8 | 175.3 | -67.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 23 | K | 31.1 | Very low | 31.6 | Very low | 201 Ų | 201 | 114.3 Ų | 114.3 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | | | trans | -85.1 | 127.9 | 156.7 | -94.1 | -172.4 | 176 | 175 | 0 | 108 | V25 | K23-V25 PolarHBondContact O-N 3.5Š|
| 24 | P | 31.4 | Very low | 32 | Very low | 120 Ų | 120 | 113.5 Ų | 113.5 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | | | trans | -71.9 | 120.8 | 175 | 28.5 | -30.2 | 0 | 0 | 0 | 109.1 | | |
| 25 | V | 33.3 | Very low | 32 | Very low | 122 Ų | 122 | 112.1 Ų | 112.1 | 74% | 0.739 | 74% | 0.74 | S | S | * | * | | | trans | -100.2 | 109.4 | 160.9 | 173.6 | 0 | 0 | 0 | 0 | 106.1 | K23 C27 | K23-V25 PolarHBondContact O-N 3.5Å; V25-C27 PolarHBondContact O-N 2.83Å |
| 26 | C | 31.7 | Very low | 32.4 | Very low | 120 Ų | 120 | 110 Ų | 110 | 81% | 0.811 | 71% | 0.712 | S | S | * | * | | | trans | -67.1 | 97.3 | 174.1 | -65 | 0 | 0 | 0 | 0 | 109.3 | | |
| 27 | C | 28.6 | Very low | 32.3 | Very low | 90 Ų | 90 | 111.1 Ų | 111.1 | 61% | 0.608 | 71% | 0.714 | S | S | * | * | | | trans | -102.5 | 113.3 | 162.7 | -77.8 | 0 | 0 | 0 | 0 | 107.9 | V25 K29 | V25-C27 PolarHBondContact O-N 2.83Å; C27-K29 PolarHBondContact O-N 2.82Å |
| 28 | C | 29.2 | Very low | 32.5 | Very low | 131 Ų | 131 | 109.4 Ų | 109.4 | 89% | 0.885 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -69.6 | 40.8 | -179.9 | -63.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 29 | K | 25.8 | Very low | 32.7 | Very low | 166 Ų | 166 | 111.3 Ų | 111.3 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -148.8 | 148.2 | 168 | -91.7 | -176.6 | 168.1 | 71.7 | 0 | 108.1 | C27 V31 | C27-K29 PolarHBondContact O-N 2.82Å; K29-V31 PolarHBondContact O-N 2.88Å |
| 30 | P | 31.4 | Very low | 32.5 | Very low | 134 Ų | 134 | 107.2 Ų | 107.2 | 87% | 0.87 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -76.7 | 76.4 | -165.4 | 34.2 | -34.6 | 0 | 0 | 0 | 109.9 | | |
| 31 | V | 31 | Very low | 32.6 | Very low | 94 Ų | 94 | 107 Ų | 107 | 57% | 0.57 | 68% | 0.676 | S | S | * | * | | | trans | -135.6 | 92.4 | 173.6 | -153.2 | 0 | 0 | 0 | 0 | 105.1 | K29 C33 | K29-V31 PolarHBondContact O-N 2.88Å; V31-C33 PolarHBondContact O-N 3.11Å |
| 32 | C | 32.6 | Very low | 32.9 | Very low | 127 Ų | 127 | 106.9 Ų | 106.9 | 86% | 0.858 | 68% | 0.675 | S | S | * | * | | | trans | -65.7 | 84.5 | 171.8 | -75.3 | 0 | 0 | 0 | 0 | 108.6 | C34 | C32-C34 PolarHBondContact O-N 3Š|
| 33 | C | 30.3 | Very low | 33.2 | Very low | 97 Ų | 97 | 103.3 Ų | 103.3 | 66% | 0.655 | 65% | 0.651 | S | S | * | * | | | trans | -77 | 72.3 | 170.6 | -68.9 | 0 | 0 | 0 | 0 | 109 | V31 V35 | V31-C33 PolarHBondContact O-N 3.11Å; C33-V35 PolarHBondContact O-N 2.72Å; C33-V35 VanDerWaalsContact O-N 3.11Å |
| 34 | C | 35.3 | Very low | 33.7 | Very low | 97 Ų | 97 | 96.7 Ų | 96.7 | 66% | 0.655 | 64% | 0.64 | S | S | * | * | | | trans | -67.9 | 106.4 | 164.4 | -70.3 | 0 | 0 | 0 | 0 | 107.5 | C32 P36 | C32-C34 PolarHBondContact O-N 3Å; C34-P36 WeakPolarHBondContact O-CD 3.39Å |
| 35 | V | 33 | Very low | 34 | Very low | 110 Ų | 110 | 96.1 Ų | 96.1 | 67% | 0.667 | 63% | 0.631 | S | S | * | * | | | trans | -99.3 | 102.7 | 169.4 | -176.6 | 0 | 0 | 0 | 0 | 107.3 | C33 A37 | C33-V35 PolarHBondContact O-N 2.72Å; C33-V35 VanDerWaalsContact O-N 3.11Å; V35-A37 PolarHBondContact O-N 2.88Å |
| 36 | P | 35.8 | Very low | 34.1 | Very low | 31 Ų | 31 | 92.6 Ų | 92.6 | 20% | 0.201 | 61% | 0.611 | C | S | . | * | | | trans | -77.5 | 120.6 | 173.7 | -3.5 | 21.7 | 0 | 0 | 0 | 108.4 | C34 C38 | C34-P36 WeakPolarHBondContact O-CD 3.39Å; P36-C38 VanDerWaalsContact C-N 3.31Å |
| 37 | A | 32.6 | Very low | 34.3 | Very low | 94 Ų | 94 | 95.1 Ų | 95.1 | 78% | 0.777 | 61% | 0.608 | S | S | * | * | | | trans | -92.5 | 13 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V35 | V35-A37 PolarHBondContact O-N 2.88Š|
| 38 | C | 35.3 | Very low | 34.6 | Very low | 69 Ų | 69 | 92.7 Ų | 92.7 | 47% | 0.466 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -135.7 | 150.8 | -177.1 | -68.4 | 0 | 0 | 0 | 0 | 111.7 | P36 C40 | P36-C38 VanDerWaalsContact C-N 3.31Å; C38-C40 PolarHBondContact O-N 2.78Å |
| 39 | S | 34.8 | Very low | 34.8 | Very low | 105 Ų | 105 | 89.7 Ų | 89.7 | 73% | 0.734 | 59% | 0.59 | S | S | * | * | | | trans | -61 | 92.8 | 175.6 | -50.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 40 | C | 36.9 | Very low | 35.2 | Very low | 46 Ų | 46 | 84.1 Ų | 84.1 | 31% | 0.311 | 57% | 0.571 | S | S | . | * | | | trans | -82.4 | 129.8 | 174.4 | -67.1 | 0 | 0 | 0 | 0 | 110.7 | C38 S42 | C38-C40 PolarHBondContact O-N 2.78Å; C40-S42 PolarHBondContact O-N 2.97Å |
| 41 | S | 36.8 | Very low | 35.5 | Very low | 104 Ų | 104 | 80.5 Ų | 80.5 | 73% | 0.727 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -61.6 | -29.3 | 172.6 | -55.4 | 0 | 0 | 0 | 0 | 112.1 | G61 S62 | S41-G61 WeakPolarHBondContact O-CA 3.35Å; S41-G61 PolarHBondContact O-N 2.82Å; S41-S62 PolarHBondContact O-N 2.95Å |
| 42 | S | 38.1 | Very low | 36 | Very low | 76 Ų | 76 | 80.3 Ų | 80.3 | 53% | 0.531 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -151.1 | 135.3 | 175.1 | 44.7 | 0 | 0 | 0 | 0 | 110.9 | C40 S62 | C40-S42 PolarHBondContact O-N 2.97Å; S42-S62 WeakPolarHBondContact CA-O 3.24Å |
| 43 | C | 42.2 | Very low | 36.5 | Very low | 35 Ų | 35 | 76 Ų | 76 | 24% | 0.236 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 119.9 | 162.3 | -68 | 0 | 0 | 0 | 0 | 107.1 | C56 S62 G64 | C43-C56 PolarHBondContact SG-SG 3.38Å; C43-S62 PolarHBondContact N-O 3.11Å; C43-S62 VanDerWaalsContact N-O 3.14Å; C43-G64 PolarHBondContact O-N 3.01Å |
| 44 | G | 41.1 | Very low | 37.1 | Very low | 62 Ų | 62 | 74.7 Ų | 74.7 | 64% | 0.639 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 147 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | C46 | G44-C46 PolarHBondContact O-N 3.4Š|
| 45 | D | 37.3 | Very low | 37.5 | Very low | 109 Ų | 109 | 71.8 Ų | 71.8 | 58% | 0.583 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 120.1 | 177.4 | -56.1 | -71.4 | 0 | 0 | 0 | 110.7 | K47 G64 G65 | D45-K47 PolarHBondContact O-N 3.38Å; D45-K47 VanDerWaalsContact O-N 3.12Å; D45-G64 WeakPolarHBondContact OD1-CA 3.26Å; D45-G65 PolarHBondContact OD1-N 3.1Å |
| 46 | C | 37 | Very low | 37.9 | Very low | 47 Ų | 47 | 67.5 Ų | 67.5 | 32% | 0.318 | 50% | 0.496 | S | S | . | . | | | trans | -67.1 | 111.8 | 170.5 | -64.5 | 0 | 0 | 0 | 0 | 109.1 | G44 | G44-C46 PolarHBondContact O-N 3.4Š|
| 47 | K | 34.4 | Very low | 38 | Very low | 173 Ų | 173 | 73 Ų | 73 | 75% | 0.752 | 52% | 0.517 | S | S | * | . | B | Isolated β-bridge | trans | -85.4 | 101.6 | 162.7 | -79.4 | -172.6 | 176.6 | -180 | 0 | 108.2 | D45 | D45-K47 PolarHBondContact O-N 3.38Å; D45-K47 VanDerWaalsContact O-N 3.12Å |
| 48 | G | 36.8 | Very low | 38.5 | Very low | 39 Ų | 39 | 69.6 Ų | 69.6 | 40% | 0.402 | 49% | 0.491 | S | S | . | . | S | Bend | trans | 130.6 | 137.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | C50 | G48-C50 PolarHBondContact O-N 3.34Š|
| 49 | G | 31.5 | Very low | 38.5 | Very low | 69 Ų | 69 | 68.2 Ų | 68.2 | 71% | 0.711 | 49% | 0.489 | S | S | * | . | | | trans | -63.8 | 102.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 50 | C | 35.8 | Very low | 38.7 | Very low | 49 Ų | 49 | 63.5 Ų | 63.5 | 33% | 0.331 | 46% | 0.456 | S | S | . | . | | | trans | -93.2 | 125.9 | 172.8 | -62.9 | 0 | 0 | 0 | 0 | 109.8 | G48 S52 C70 | G48-C50 PolarHBondContact O-N 3.34Å; C50-S52 VanDerWaalsContact C-N 3.33Å; C50-S52 PolarHBondContact O-N 3.39Å; C50-C70 WeakPolarHBondContact O-CA 3.35Å; C50-C70 PolarHBondContact O-SG 3.1Å |
| 51 | G | 37.5 | Very low | 38.9 | Very low | 58 Ų | 58 | 63.3 Ų | 63.3 | 60% | 0.598 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -60.4 | -39.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G71 S72 | G51-G71 PolarHBondContact O-N 3.09Å; G51-S72 PolarHBondContact O-N 3.37Å |
| 52 | S | 40.4 | Very low | 39.1 | Very low | 90 Ų | 90 | 60.8 Ų | 60.8 | 63% | 0.629 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 129.7 | 176.8 | -68 | 0 | 0 | 0 | 0 | 112 | C50 S72 | C50-S52 VanDerWaalsContact C-N 3.33Å; C50-S52 PolarHBondContact O-N 3.39Å; S52-S72 VanDerWaalsContact CA-O 3.24Å; S52-S72 WeakPolarHBondContact CA-O 3.36Å |
| 53 | C | 43.5 | Very low | 39.4 | Very low | 35 Ų | 35 | 58.2 Ų | 58.2 | 24% | 0.236 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 125.5 | 171.9 | -69.5 | 0 | 0 | 0 | 0 | 110.3 | S72 G74 | C53-S72 PolarHBondContact N-O 3.02Å; C53-S72 VanDerWaalsContact N-O 3.11Å; C53-G74 PolarHBondContact O-N 2.84Å |
| 54 | G | 42.5 | Very low | 39.4 | Very low | 70 Ų | 70 | 58 Ų | 58 | 72% | 0.722 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 135.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 55 | G | 44.1 | Very low | 39.5 | Very low | 37 Ų | 37 | 56.1 Ų | 56.1 | 38% | 0.381 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 147.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G74 | G55-G74 VanDerWaalsContact CA-O 3.23Å; G55-G74 WeakPolarHBondContact CA-O 3.3Å |
| 56 | C | 41.4 | Very low | 39.5 | Very low | 20 Ų | 20 | 52 Ų | 52 | 14% | 0.135 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 133.2 | 179.4 | -63.6 | 0 | 0 | 0 | 0 | 112.3 | C43 G58 K77 | C43-C56 PolarHBondContact SG-SG 3.38Å; C56-G58 PolarHBondContact O-N 3.12Å; C56-K77 PolarHBondContact O-N 3.22Å |
| 57 | K | 38.9 | Very low | 39.4 | Very low | 146 Ų | 146 | 58.5 Ų | 58.5 | 64% | 0.635 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -87.7 | 78.6 | 166.8 | -78 | -177 | 177.5 | 176.1 | 0 | 109.2 | | |
| 58 | G | 42.2 | Very low | 39.5 | Very low | 23 Ų | 23 | 52 Ų | 52 | 24% | 0.237 | 39% | 0.394 | C | S | . | . | S | Bend | trans | 163.3 | 167 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | C56 G78 | C56-G58 PolarHBondContact O-N 3.12Å; G58-G78 PolarHBondContact O-N 3.04Å |
| 59 | G | 35.8 | Very low | 39.3 | Very low | 40 Ų | 40 | 53.8 Ų | 53.8 | 41% | 0.412 | 41% | 0.412 | S | S | . | . | | | trans | -73.6 | 127 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | G79 | G59-G79 WeakPolarHBondContact CA-O 3.25Š|
| 60 | C | 39.5 | Very low | 39.5 | Very low | 6 Ų | 6 | 50.6 Ų | 50.6 | 4% | 0.041 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 131.8 | 176 | 70 | 0 | 0 | 0 | 0 | 109.6 | C63 G79 C80 G81 | C60-C63 WeakPolarHBondContact CB-SG 3.23Å; C60-C63 WeakPolarHBondContact SG-CB 3.36Å; C60-C63 CovalentContact SG-SG 2.09Å; C60-C63 PolarHBondContact SG-SG 3.21Å; C60-G79 PolarHBondContact N-O 2.96Å; C60-G79 VanDerWaalsContact N-O 3.16Å; C60-C80 VanDerWaalsContact O-CA 3.31Å; C60-C80 WeakPolarHBondContact O-CA 3.12Å; C60-C80 VanDerWaalsContact SG-CB 3.57Å; C60-G81 PolarHBondContact O-N 2.85Å |
| 61 | G | 39.9 | Very low | 39.7 | Very low | 41 Ų | 41 | 50.2 Ų | 50.2 | 42% | 0.423 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | -41.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S41 G81 S82 | S41-G61 WeakPolarHBondContact O-CA 3.35Å; S41-G61 PolarHBondContact O-N 2.82Å; G61-G81 CarbonylContact O-C 3.51Å; G61-G81 WeakPolarHBondContact O-CA 3.35Å; G61-G81 PolarHBondContact O-N 3Å; G61-S82 PolarHBondContact O-N 3.32Å |
| 62 | S | 41.3 | Very low | 40 | Very low | 52 Ų | 52 | 50 Ų | 50 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 125.7 | 169.6 | -73.1 | 0 | 0 | 0 | 0 | 110.1 | S41 S42 C43 S82 | S41-S62 PolarHBondContact O-N 2.95Å; S42-S62 WeakPolarHBondContact CA-O 3.24Å; C43-S62 PolarHBondContact N-O 3.11Å; C43-S62 VanDerWaalsContact N-O 3.14Å; S62-S82 WeakPolarHBondContact CA-O 2.99Å |
| 63 | C | 45.2 | Very low | 40.2 | Very low | 22 Ų | 22 | 47.1 Ų | 47.1 | 15% | 0.149 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 101.8 | 171.4 | -79.3 | 0 | 0 | 0 | 0 | 106.5 | C60 S82 G84 | C60-C63 WeakPolarHBondContact CB-SG 3.23Å; C60-C63 WeakPolarHBondContact SG-CB 3.36Å; C60-C63 CovalentContact SG-SG 2.09Å; C60-C63 PolarHBondContact SG-SG 3.21Å; C63-S82 PolarHBondContact N-O 3.32Å; C63-G84 PolarHBondContact O-N 3.1Å |
| 64 | G | 42.2 | Very low | 40.4 | Very low | 30 Ų | 30 | 47.2 Ų | 47.2 | 31% | 0.309 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 136.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | C43 D45 | C43-G64 PolarHBondContact O-N 3.01Å; D45-G64 WeakPolarHBondContact OD1-CA 3.26Å |
| 65 | G | 43.3 | Very low | 40.6 | Very low | 22 Ų | 22 | 45 Ų | 45 | 23% | 0.227 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 144.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | D45 K67 | D45-G65 PolarHBondContact OD1-N 3.1Å; G65-K67 PolarHBondContact O-N 3.19Å |
| 66 | C | 36.8 | Very low | 40.6 | Very low | 22 Ų | 22 | 43.8 Ų | 43.8 | 15% | 0.149 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 118 | 172.5 | -60.1 | 0 | 0 | 0 | 0 | 109 | G68 C70 | C66-G68 VanDerWaalsContact CB-O 3.26Å; C66-G68 WeakPolarHBondContact CB-O 3.37Å; C66-G68 PolarHBondContact O-N 3.41Å; C66-C70 HydrophobicContact CB-CB 3.96Å |
| 67 | K | 35 | Very low | 40.8 | Very low | 185 Ų | 185 | 49.1 Ų | 49.1 | 80% | 0.804 | 34% | 0.342 | S | S | * | . | B | Isolated β-bridge | trans | -75.3 | 85.1 | 163.2 | -94.3 | -173.7 | 173.5 | -179.8 | 0 | 107.4 | G65 | G65-K67 PolarHBondContact O-N 3.19Å |
| 68 | G | 35.7 | Very low | 41 | Very low | 36 Ų | 36 | 43 Ų | 43 | 37% | 0.371 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 130.8 | 116.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 109 | C66 C70 | C66-G68 VanDerWaalsContact CB-O 3.26Å; C66-G68 WeakPolarHBondContact CB-O 3.37Å; C66-G68 PolarHBondContact O-N 3.41Å; G68-C70 PolarHBondContact O-N 3Å; G68-C70 VanDerWaalsContact O-N 3.1Å |
| 69 | G | 32.7 | Very low | 40.9 | Very low | 76 Ų | 76 | 43.4 Ų | 43.4 | 78% | 0.784 | 33% | 0.325 | S | S | * | . | | | trans | -47.1 | 113.4 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 70 | C | 36.3 | Very low | 41.3 | Very low | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.02 | 31% | 0.306 | C | S | . | . | | | trans | -85.8 | 126.6 | 165.2 | -179.2 | 0 | 0 | 0 | 0 | 109 | C50 C66 G68 G87 | C50-C70 WeakPolarHBondContact O-CA 3.35Å; C50-C70 PolarHBondContact O-SG 3.1Å; C66-C70 HydrophobicContact CB-CB 3.96Å; G68-C70 PolarHBondContact O-N 3Å; G68-C70 VanDerWaalsContact O-N 3.1Å; C70-G87 PolarHBondContact O-N 3.5Å |
| 71 | G | 39.4 | Very low | 41.5 | Very low | 41 Ų | 41 | 42.3 Ų | 42.3 | 42% | 0.423 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -68.8 | -35.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G51 S88 | G51-G71 PolarHBondContact O-N 3.09Å; G71-S88 WeakPolarHBondContact O-CB 3.23Å; G71-S88 PolarHBondContact O-N 3.18Å |
| 72 | S | 43.2 | Very low | 41.9 | Very low | 52 Ų | 52 | 42.9 Ų | 42.9 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 118.6 | 179.9 | -75.8 | 0 | 0 | 0 | 0 | 113.3 | G51 S52 C53 S88 | G51-S72 PolarHBondContact O-N 3.37Å; S52-S72 VanDerWaalsContact CA-O 3.24Å; S52-S72 WeakPolarHBondContact CA-O 3.36Å; C53-S72 PolarHBondContact N-O 3.02Å; C53-S72 VanDerWaalsContact N-O 3.11Å; S72-S88 CarbonylContact C-O 3.56Å; S72-S88 WeakPolarHBondContact CA-O 3.41Å |
| 73 | C | 46.1 | Very low | 42.2 | Very low | 31 Ų | 31 | 41.3 Ų | 41.3 | 21% | 0.209 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 122.2 | 170.2 | -73.6 | 0 | 0 | 0 | 0 | 110.2 | C86 S88 G90 | C73-C86 HydrophobicContact CB-CB 4.29Å; C73-S88 PolarHBondContact N-O 2.95Å; C73-G90 PolarHBondContact O-N 3.26Å |
| 74 | G | 46.4 | Very low | 42.2 | Very low | 36 Ų | 36 | 41.8 Ų | 41.8 | 37% | 0.371 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 132.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | C53 G55 | C53-G74 PolarHBondContact O-N 2.84Å; G55-G74 VanDerWaalsContact CA-O 3.23Å; G55-G74 WeakPolarHBondContact CA-O 3.3Å |
| 75 | G | 46.7 | Very low | 42.4 | Very low | 24 Ų | 24 | 42.2 Ų | 42.2 | 25% | 0.247 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 148.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | G90 G91 | G75-G90 VanDerWaalsContact CA-O 3.23Å; G75-G90 WeakPolarHBondContact CA-O 3.5Å; G75-G91 VanDerWaalsContact CA-O 3.26Å; G75-G91 WeakPolarHBondContact CA-O 3.16Å |
| 76 | C | 45.3 | Very low | 42.4 | Very low | 12 Ų | 12 | 42 Ų | 42 | 8% | 0.081 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -79 | 131.2 | 174.4 | -58.7 | 0 | 0 | 0 | 0 | 110.8 | G78 K93 | C76-G78 VanDerWaalsContact C-N 3.35Å; C76-K93 PolarHBondContact O-N 3.23Å |
| 77 | K | 44.1 | Very low | 42.8 | Very low | 131 Ų | 131 | 42.6 Ų | 42.6 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -76.2 | -20.5 | 172.6 | -75.1 | -170.3 | 179.9 | -177 | 0 | 113.1 | C56 | C56-K77 PolarHBondContact O-N 3.22Š|
| 78 | G | 44.3 | Very low | 43.4 | Very low | 17 Ų | 17 | 36 Ų | 36 | 18% | 0.175 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -105.1 | 175.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G58 C76 | G58-G78 PolarHBondContact O-N 3.04Å; C76-G78 VanDerWaalsContact C-N 3.35Å |
| 79 | G | 39.3 | Very low | 44 | Very low | 32 Ų | 32 | 35.5 Ų | 35.5 | 33% | 0.33 | 29% | 0.287 | S | S | . | . | | | trans | -67.9 | 140.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G59 C60 G95 | G59-G79 WeakPolarHBondContact CA-O 3.25Å; C60-G79 PolarHBondContact N-O 2.96Å; C60-G79 VanDerWaalsContact N-O 3.16Å; G79-G95 CarbonylContact C-O 3.59Å; G79-G95 WeakPolarHBondContact CA-O 3.46Å |
| 80 | C | 44 | Very low | 44.7 | Very low | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.014 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 126.5 | 175.1 | 72.7 | 0 | 0 | 0 | 0 | 110.9 | C60 C83 G95 C96 S97 | C60-C80 VanDerWaalsContact O-CA 3.31Å; C60-C80 WeakPolarHBondContact O-CA 3.12Å; C60-C80 VanDerWaalsContact SG-CB 3.57Å; C80-C83 WeakPolarHBondContact CB-SG 3.45Å; C80-C83 WeakPolarHBondContact SG-CB 2.91Å; C80-C83 CovalentContact SG-SG 2.09Å; C80-C83 PolarHBondContact SG-SG 3.48Å; C80-G95 PolarHBondContact N-O 3.41Å; C80-G95 VanDerWaalsContact N-O 3.13Å; C80-C96 WeakPolarHBondContact O-CA 3.38Å; C80-C96 PolarHBondContact O-SG 3.05Å; C80-C96 PolarHBondContact SG-SG 3.35Å; C80-S97 PolarHBondContact O-N 3.47Å |
| 81 | G | 45.2 | Very low | 45.2 | Very low | 21 Ų | 21 | 34.4 Ų | 34.4 | 22% | 0.216 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | -48.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | C60 G61 S97 S98 | C60-G81 PolarHBondContact O-N 2.85Å; G61-G81 CarbonylContact O-C 3.51Å; G61-G81 WeakPolarHBondContact O-CA 3.35Å; G61-G81 PolarHBondContact O-N 3Å; G81-S97 CarbonylContact O-C 3.6Å; G81-S97 WeakPolarHBondContact O-CA 3.16Å; G81-S97 WeakPolarHBondContact O-CB 3.02Å; G81-S97 PolarHBondContact O-N 2.98Å; G81-S98 PolarHBondContact O-N 3.49Å |
| 82 | S | 46.7 | Very low | 45.6 | Very low | 53 Ų | 53 | 32.7 Ų | 32.7 | 37% | 0.371 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 130.3 | 171.7 | -64.4 | 0 | 0 | 0 | 0 | 111 | G61 S62 C63 S98 | G61-S82 PolarHBondContact O-N 3.32Å; S62-S82 WeakPolarHBondContact CA-O 2.99Å; C63-S82 PolarHBondContact N-O 3.32Å; S82-S98 CarbonylContact C-O 3.5Å; S82-S98 VanDerWaalsContact CA-O 3.3Å; S82-S98 WeakPolarHBondContact CA-O 3.05Å |
| 83 | C | 48.8 | Very low | 45.8 | Very low | 19 Ų | 19 | 36.2 Ų | 36.2 | 13% | 0.128 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 116.3 | 177.9 | -86 | 0 | 0 | 0 | 0 | 108.2 | C80 S98 G100 | C80-C83 WeakPolarHBondContact CB-SG 3.45Å; C80-C83 WeakPolarHBondContact SG-CB 2.91Å; C80-C83 CovalentContact SG-SG 2.09Å; C80-C83 PolarHBondContact SG-SG 3.48Å; C83-S98 PolarHBondContact N-O 2.09Å; C83-G100 PolarHBondContact O-N 3.33Å |
| 84 | G | 45.5 | Very low | 45.8 | Very low | 32 Ų | 32 | 35.5 Ų | 35.5 | 33% | 0.33 | 26% | 0.264 | S | S | . | . | | | trans | -69.6 | 165.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | C63 | C63-G84 PolarHBondContact O-N 3.1Š|
| 85 | G | 45 | Very low | 45.6 | Very low | 40 Ų | 40 | 35.4 Ų | 35.4 | 41% | 0.412 | 26% | 0.263 | S | S | . | . | | | trans | -67.7 | 140.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G101 | G85-G101 WeakPolarHBondContact CA-O 3.26Š|
| 86 | C | 44.6 | Very low | 45.6 | Very low | 16 Ų | 16 | 34.5 Ų | 34.5 | 11% | 0.108 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 157.3 | 179.3 | 57.1 | 0 | 0 | 0 | 0 | 112.2 | C73 C89 G101 C102 G103 | C73-C86 HydrophobicContact CB-CB 4.29Å; C86-C89 WeakPolarHBondContact SG-CB 3.38Å; C86-G101 PolarHBondContact N-O 3.2Å; C86-C102 WeakPolarHBondContact O-CA 3.4Å; C86-C102 VanDerWaalsContact O-CB 3.25Å; C86-C102 WeakPolarHBondContact O-CB 3.46Å; C86-G103 PolarHBondContact O-N 3.12Å |
| 87 | G | 44.8 | Very low | 45.6 | Very low | 35 Ų | 35 | 37.7 Ų | 37.7 | 36% | 0.361 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | -50.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C70 G103 S104 | C70-G87 PolarHBondContact O-N 3.5Å; G87-G103 CarbonylContact O-C 3.44Å; G87-G103 WeakPolarHBondContact O-CA 3.22Å; G87-G103 PolarHBondContact O-N 3.41Å; G87-G103 VanDerWaalsContact O-N 3.1Å; G87-S104 PolarHBondContact O-N 3.2Å |
| 88 | S | 46.6 | Very low | 45.7 | Very low | 48 Ų | 48 | 33.8 Ų | 33.8 | 34% | 0.336 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 123.3 | 173.1 | -59.5 | 0 | 0 | 0 | 0 | 110.8 | G71 S72 C73 S104 | G71-S88 WeakPolarHBondContact O-CB 3.23Å; G71-S88 PolarHBondContact O-N 3.18Å; S72-S88 CarbonylContact C-O 3.56Å; S72-S88 WeakPolarHBondContact CA-O 3.41Å; C73-S88 PolarHBondContact N-O 2.95Å; S88-S104 CarbonylContact C-O 3.54Å; S88-S104 VanDerWaalsContact CA-O 3.3Å; S88-S104 WeakPolarHBondContact CA-O 3.37Å |
| 89 | C | 48.9 | Very low | 46 | Very low | 25 Ų | 25 | 34 Ų | 34 | 17% | 0.169 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 122 | 177.1 | -164.1 | 0 | 0 | 0 | 0 | 110.5 | C86 G91 S104 G106 | C86-C89 WeakPolarHBondContact SG-CB 3.38Å; C89-G91 PolarHBondContact O-N 3.16Å; C89-S104 PolarHBondContact N-O 3.35Å; C89-G106 PolarHBondContact O-N 2.09Å |
| 90 | G | 46.9 | Very low | 46.3 | Very low | 48 Ų | 48 | 33.8 Ų | 33.8 | 50% | 0.495 | 26% | 0.261 | S | S | . | . | | | trans | -77.2 | 37.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | C73 G75 | C73-G90 PolarHBondContact O-N 3.26Å; G75-G90 VanDerWaalsContact CA-O 3.23Å; G75-G90 WeakPolarHBondContact CA-O 3.5Å |
| 91 | G | 47.4 | Very low | 46.4 | Very low | 8 Ų | 8 | 35.5 Ų | 35.5 | 8% | 0.082 | 28% | 0.279 | C | S | . | . | | | trans | 63.2 | 137.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | G75 C89 G106 | G75-G91 VanDerWaalsContact CA-O 3.26Å; G75-G91 WeakPolarHBondContact CA-O 3.16Å; C89-G91 PolarHBondContact O-N 3.16Å; G91-G106 WeakPolarHBondContact CA-O 3.27Å |
| 92 | C | 46.9 | Very low | 46.4 | Very low | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.034 | 28% | 0.275 | C | S | . | . | | | trans | -90.5 | 129.4 | 174 | -60.3 | 0 | 0 | 0 | 0 | 110.8 | G94 C108 K109 | C92-G94 WeakPolarHBondContact CB-O 3.09Å; C92-C108 WeakPolarHBondContact O-CA 3.17Å; C92-K109 PolarHBondContact O-N 3.19Å |
| 93 | K | 47.4 | Very low | 46.2 | Very low | 125 Ų | 125 | 34.6 Ų | 34.6 | 54% | 0.543 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -76 | -28.5 | 170.7 | -76.7 | -169.5 | 179.1 | -175.6 | 0 | 112.4 | C76 | C76-K93 PolarHBondContact O-N 3.23Š|
| 94 | G | 46.8 | Very low | 46.1 | Very low | 17 Ų | 17 | 36.4 Ų | 36.4 | 18% | 0.175 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -95.8 | 164.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | C92 | C92-G94 WeakPolarHBondContact CB-O 3.09Š|
| 95 | G | 41.6 | Very low | 46.2 | Very low | 34 Ų | 34 | 35.8 Ų | 35.8 | 35% | 0.351 | 28% | 0.278 | S | S | . | . | | | trans | -61.9 | 153.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G79 C80 G111 | G79-G95 CarbonylContact C-O 3.59Å; G79-G95 WeakPolarHBondContact CA-O 3.46Å; C80-G95 PolarHBondContact N-O 3.41Å; C80-G95 VanDerWaalsContact N-O 3.13Å; G95-G111 CarbonylContact C-O 3.46Å; G95-G111 WeakPolarHBondContact CA-O 3.32Å |
| 96 | C | 47.1 | Very low | 46.2 | Very low | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.034 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 135.9 | 177.2 | -179 | 0 | 0 | 0 | 0 | 111.5 | C80 S98 C99 G111 C112 G113 | C80-C96 WeakPolarHBondContact O-CA 3.38Å; C80-C96 PolarHBondContact O-SG 3.05Å; C80-C96 PolarHBondContact SG-SG 3.35Å; C96-S98 PolarHBondContact SG-N 3.37Å; C96-S98 VanDerWaalsContact SG-N 3.35Å; C96-S98 PolarHBondContact SG-O 3.16Å; C96-C99 PolarHBondContact SG-SG 3.12Å; C96-G111 PolarHBondContact N-O 2.89Å; C96-C112 CarbonylContact O-C 3.53Å; C96-C112 VanDerWaalsContact O-CA 3.27Å; C96-C112 WeakPolarHBondContact O-CA 3.29Å; C96-G113 PolarHBondContact O-N 2.09Å |
| 97 | S | 46.2 | Very low | 46.2 | Very low | 79 Ų | 79 | 36.2 Ų | 36.2 | 55% | 0.552 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | -34 | 175.7 | -39.8 | 0 | 0 | 0 | 0 | 112 | C80 G81 G113 S114 | C80-S97 PolarHBondContact O-N 3.47Å; G81-S97 CarbonylContact O-C 3.6Å; G81-S97 WeakPolarHBondContact O-CA 3.16Å; G81-S97 WeakPolarHBondContact O-CB 3.02Å; G81-S97 PolarHBondContact O-N 2.98Å; S97-G113 CarbonylContact O-C 3.55Å; S97-G113 WeakPolarHBondContact O-CA 3.12Å; S97-S114 PolarHBondContact O-N 3.14Å |
| 98 | S | 46 | Very low | 46.3 | Very low | 49 Ų | 49 | 34.8 Ų | 34.8 | 34% | 0.343 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 119.9 | 177.1 | -171.3 | 0 | 0 | 0 | 0 | 113.1 | G81 S82 C83 C96 S114 | G81-S98 PolarHBondContact O-N 3.49Å; S82-S98 CarbonylContact C-O 3.5Å; S82-S98 VanDerWaalsContact CA-O 3.3Å; S82-S98 WeakPolarHBondContact CA-O 3.05Å; C83-S98 PolarHBondContact N-O 2.09Å; C96-S98 PolarHBondContact SG-N 3.37Å; C96-S98 VanDerWaalsContact SG-N 3.35Å; C96-S98 PolarHBondContact SG-O 3.16Å; S98-S114 CarbonylContact C-O 3.57Å; S98-S114 VanDerWaalsContact CA-O 3.23Å; S98-S114 WeakPolarHBondContact CA-O 3.18Å |
| 99 | C | 49.9 | Very low | 46.3 | Very low | 20 Ų | 20 | 38.6 Ų | 38.6 | 14% | 0.135 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 127.1 | 170.2 | -67.1 | 0 | 0 | 0 | 0 | 110.3 | C96 S114 G116 | C96-C99 PolarHBondContact SG-SG 3.12Å; C99-S114 PolarHBondContact N-O 3.16Å; C99-G116 PolarHBondContact O-N 3.43Å |
| 100 | G | 47 | Very low | 46.1 | Very low | 28 Ų | 28 | 38.1 Ų | 38.1 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 166.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C83 | C83-G100 PolarHBondContact O-N 3.33Š|
| 101 | G | 45.6 | Very low | 45.8 | Very low | 39 Ų | 39 | 37.5 Ų | 37.5 | 40% | 0.402 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 138.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G85 C86 G117 | G85-G101 WeakPolarHBondContact CA-O 3.26Å; C86-G101 PolarHBondContact N-O 3.2Å; G101-G117 CarbonylContact C-O 3.56Å; G101-G117 WeakPolarHBondContact CA-O 3.31Å |
| 102 | C | 45.2 | Very low | 45.6 | Very low | 17 Ų | 17 | 37.3 Ų | 37.3 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 147.4 | -178.7 | 54 | 0 | 0 | 0 | 0 | 112.8 | C86 G117 C118 G119 | C86-C102 WeakPolarHBondContact O-CA 3.4Å; C86-C102 VanDerWaalsContact O-CB 3.25Å; C86-C102 WeakPolarHBondContact O-CB 3.46Å; C102-G117 PolarHBondContact N-O 2.82Å; C102-G117 VanDerWaalsContact N-O 3.16Å; C102-C118 CarbonylContact O-C 3.58Å; C102-C118 WeakPolarHBondContact O-CA 3.2Å; C102-G119 PolarHBondContact O-N 3.41Å |
| 103 | G | 42.7 | Very low | 45.4 | Very low | 38 Ų | 38 | 38.5 Ų | 38.5 | 39% | 0.392 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | -46.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | C86 G87 G119 S120 | C86-G103 PolarHBondContact O-N 3.12Å; G87-G103 CarbonylContact O-C 3.44Å; G87-G103 WeakPolarHBondContact O-CA 3.22Å; G87-G103 PolarHBondContact O-N 3.41Å; G87-G103 VanDerWaalsContact O-N 3.1Å; G103-G119 CarbonylContact O-C 3.46Å; G103-G119 WeakPolarHBondContact O-CA 3.33Å; G103-G119 PolarHBondContact O-N 3.21Å; G103-S120 PolarHBondContact O-N 3.27Å; G103-S120 VanDerWaalsContact O-N 3.1Å |
| 104 | S | 45.8 | Very low | 45.3 | Very low | 56 Ų | 56 | 35.4 Ų | 35.4 | 39% | 0.392 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 123.4 | 176.1 | -71.7 | 0 | 0 | 0 | 0 | 111.4 | G87 S88 C89 S120 | G87-S104 PolarHBondContact O-N 3.2Å; S88-S104 CarbonylContact C-O 3.54Å; S88-S104 VanDerWaalsContact CA-O 3.3Å; S88-S104 WeakPolarHBondContact CA-O 3.37Å; C89-S104 PolarHBondContact N-O 3.35Å; S104-S120 CarbonylContact C-O 3.56Å; S104-S120 WeakPolarHBondContact CA-O 3.44Å |
| 105 | C | 47.3 | Very low | 45.2 | Very low | 19 Ų | 19 | 35.8 Ų | 35.8 | 13% | 0.128 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 121.3 | 177.6 | -167.4 | 0 | 0 | 0 | 0 | 111.2 | G107 S120 G122 | C105-G107 PolarHBondContact O-N 3.2Å; C105-S120 PolarHBondContact N-O 3.3Å; C105-G122 PolarHBondContact O-N 3.11Å |
| 106 | G | 45.7 | Very low | 45.4 | Very low | 52 Ų | 52 | 35.5 Ų | 35.5 | 54% | 0.536 | 28% | 0.275 | S | S | . | . | | | trans | -79 | 48.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | C89 G91 | C89-G106 PolarHBondContact O-N 2.09Å; G91-G106 WeakPolarHBondContact CA-O 3.27Å |
| 107 | G | 45.3 | Very low | 45.1 | Very low | 14 Ų | 14 | 36.7 Ų | 36.7 | 14% | 0.144 | 29% | 0.288 | C | S | . | . | | | trans | 56.7 | 127.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | C105 G122 | C105-G107 PolarHBondContact O-N 3.2Å; G107-G122 WeakPolarHBondContact CA-O 3.15Å; G107-G122 PolarHBondContact N-O 3.35Å |
| 108 | C | 45.9 | Very low | 44.9 | Very low | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.034 | 27% | 0.27 | C | S | . | . | | | trans | -82.1 | 128.8 | 173 | -63.3 | 0 | 0 | 0 | 0 | 111.1 | C92 C124 K125 | C92-C108 WeakPolarHBondContact O-CA 3.17Å; C108-C124 WeakPolarHBondContact O-CA 3.4Å; C108-K125 PolarHBondContact O-N 3.44Å |
| 109 | K | 46.7 | Very low | 44.5 | Very low | 127 Ų | 127 | 33.4 Ų | 33.4 | 55% | 0.552 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -79.8 | -24.3 | 172 | -72.6 | -170 | 178.9 | -175.5 | 0 | 112.7 | C92 | C92-K109 PolarHBondContact O-N 3.19Š|
| 110 | G | 45.6 | Very low | 44.2 | Very low | 16 Ų | 16 | 35.1 Ų | 35.1 | 17% | 0.165 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -97.4 | 172.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 111 | G | 39.8 | Very low | 44 | Very low | 34 Ų | 34 | 34.7 Ų | 34.7 | 35% | 0.351 | 28% | 0.275 | S | S | . | . | | | trans | -66.7 | 146.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G95 C96 G127 | G95-G111 CarbonylContact C-O 3.46Å; G95-G111 WeakPolarHBondContact CA-O 3.32Å; C96-G111 PolarHBondContact N-O 2.89Å; G111-G127 CarbonylContact C-O 3.51Å; G111-G127 WeakPolarHBondContact CA-O 3.26Å |
| 112 | C | 43.6 | Very low | 43.8 | Very low | 4 Ų | 4 | 34.5 Ų | 34.5 | 3% | 0.027 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 122.5 | 175.8 | -178.6 | 0 | 0 | 0 | 0 | 109.6 | C96 S114 C115 G127 C128 G129 | C96-C112 CarbonylContact O-C 3.53Å; C96-C112 VanDerWaalsContact O-CA 3.27Å; C96-C112 WeakPolarHBondContact O-CA 3.29Å; C112-S114 VanDerWaalsContact SG-C 3.58Å; C112-C115 WeakPolarHBondContact CB-SG 3.1Å; C112-C115 WeakPolarHBondContact SG-CB 3.15Å; C112-C115 CovalentContact SG-SG 2.09Å; C112-C115 PolarHBondContact SG-SG 3.33Å; C112-G127 PolarHBondContact N-O 3.13Å; C112-G127 VanDerWaalsContact N-O 3.12Å; C112-C128 CarbonylContact O-C 3.53Å; C112-C128 WeakPolarHBondContact O-CA 3.29Å; C112-C128 PolarHBondContact O-SG 3.38Å; C112-C128 VanDerWaalsContact O-SG 3.34Å; C112-G129 PolarHBondContact O-N 3.16Å |
| 113 | G | 42.3 | Very low | 43.6 | Very low | 31 Ų | 31 | 35.1 Ų | 35.1 | 32% | 0.32 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | -64.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | C96 S97 G129 S130 | C96-G113 PolarHBondContact O-N 2.09Å; S97-G113 CarbonylContact O-C 3.55Å; S97-G113 WeakPolarHBondContact O-CA 3.12Å; G113-G129 CarbonylContact O-C 3.53Å; G113-G129 WeakPolarHBondContact O-CA 3.49Å; G113-G129 PolarHBondContact O-N 2.9Å; G113-S130 PolarHBondContact O-N 3Å |
| 114 | S | 45.2 | Very low | 43.5 | Very low | 59 Ų | 59 | 34.1 Ų | 34.1 | 41% | 0.413 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 119.1 | 179.8 | -64.8 | 0 | 0 | 0 | 0 | 111.2 | S97 S98 C99 C112 S130 | S97-S114 PolarHBondContact O-N 3.14Å; S98-S114 CarbonylContact C-O 3.57Å; S98-S114 VanDerWaalsContact CA-O 3.23Å; S98-S114 WeakPolarHBondContact CA-O 3.18Å; C99-S114 PolarHBondContact N-O 3.16Å; C112-S114 VanDerWaalsContact SG-C 3.58Å; S114-S130 VanDerWaalsContact CA-O 3.26Å; S114-S130 WeakPolarHBondContact CA-O 3.19Å |
| 115 | C | 45.6 | Very low | 43.3 | Very low | 26 Ų | 26 | 37.9 Ų | 37.9 | 18% | 0.176 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 121.7 | 179.6 | -87.5 | 0 | 0 | 0 | 0 | 109.3 | C112 S130 G132 | C112-C115 WeakPolarHBondContact CB-SG 3.1Å; C112-C115 WeakPolarHBondContact SG-CB 3.15Å; C112-C115 CovalentContact SG-SG 2.09Å; C112-C115 PolarHBondContact SG-SG 3.33Å; C115-S130 PolarHBondContact N-O 3.1Å; C115-S130 VanDerWaalsContact N-O 3.1Å; C115-G132 PolarHBondContact O-N 2.74Å |
| 116 | G | 44.3 | Very low | 43 | Very low | 27 Ų | 27 | 37.7 Ų | 37.7 | 28% | 0.278 | 28% | 0.28 | S | S | . | . | | | trans | -77.6 | 165.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | C99 C118 | C99-G116 PolarHBondContact O-N 3.43Å; G116-C118 PolarHBondContact O-N 2.94Å |
| 117 | G | 42.1 | Very low | 42.5 | Very low | 30 Ų | 30 | 37.1 Ų | 37.1 | 31% | 0.309 | 27% | 0.274 | S | S | . | . | | | trans | -57.3 | 130 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | G101 C102 C134 | G101-G117 CarbonylContact C-O 3.56Å; G101-G117 WeakPolarHBondContact CA-O 3.31Å; C102-G117 PolarHBondContact N-O 2.82Å; C102-G117 VanDerWaalsContact N-O 3.16Å; G117-C134 WeakPolarHBondContact CA-SG 3.36Å |
| 118 | C | 41.5 | Very low | 42.1 | Very low | 25 Ų | 25 | 37.2 Ų | 37.2 | 17% | 0.169 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 137.2 | 178.5 | 55.2 | 0 | 0 | 0 | 0 | 112 | C102 G116 C138 | C102-C118 CarbonylContact O-C 3.58Å; C102-C118 WeakPolarHBondContact O-CA 3.2Å; G116-C118 PolarHBondContact O-N 2.94Å; C118-C138 WeakPolarHBondContact O-CB 3.23Å; C118-C138 PolarHBondContact O-SG 3.42Å |
| 119 | G | 38.4 | Very low | 41.6 | Very low | 35 Ų | 35 | 38.9 Ų | 38.9 | 36% | 0.361 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | -36.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | C102 G103 G139 | C102-G119 PolarHBondContact O-N 3.41Å; G103-G119 CarbonylContact O-C 3.46Å; G103-G119 WeakPolarHBondContact O-CA 3.33Å; G103-G119 PolarHBondContact O-N 3.21Å; G119-G139 PolarHBondContact O-N 2.92Å |
| 120 | S | 42.3 | Very low | 41.2 | Very low | 55 Ų | 55 | 35.6 Ų | 35.6 | 39% | 0.385 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 125.3 | 174.7 | -70.1 | 0 | 0 | 0 | 0 | 110.1 | G103 S104 C105 | G103-S120 PolarHBondContact O-N 3.27Å; G103-S120 VanDerWaalsContact O-N 3.1Å; S104-S120 CarbonylContact C-O 3.56Å; S104-S120 WeakPolarHBondContact CA-O 3.44Å; C105-S120 PolarHBondContact N-O 3.3Å |
| 121 | C | 43 | Very low | 40.8 | Very low | 19 Ų | 19 | 37.3 Ų | 37.3 | 13% | 0.128 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 119.3 | -178.7 | -163 | 0 | 0 | 0 | 0 | 110.6 | G142 | C121-G142 PolarHBondContact O-N 2.78Å; C121-G142 VanDerWaalsContact O-N 3.12Å |
| 122 | G | 41.4 | Very low | 40.5 | Very low | 36 Ų | 36 | 37.7 Ų | 37.7 | 37% | 0.371 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 126.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | C105 G107 | C105-G122 PolarHBondContact O-N 3.11Å; G107-G122 WeakPolarHBondContact CA-O 3.15Å; G107-G122 PolarHBondContact N-O 3.35Å |
| 123 | G | 40.8 | Very low | 40 | Very low | 30 Ų | 30 | 40 Ų | 40 | 31% | 0.309 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 143.3 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | G142 | G123-G142 WeakPolarHBondContact CA-O 3.3Š|
| 124 | C | 41.7 | Very low | 39.4 | Very low | 17 Ų | 17 | 40.7 Ų | 40.7 | 12% | 0.115 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 133.8 | 173.5 | -64 | 0 | 0 | 0 | 0 | 110.9 | C108 K145 | C108-C124 WeakPolarHBondContact O-CA 3.4Å; C124-K145 PolarHBondContact O-N 2.78Å |
| 125 | K | 41.3 | Very low | 38.5 | Very low | 134 Ų | 134 | 48.6 Ų | 48.6 | 58% | 0.583 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -87.2 | -14.6 | 173.6 | -74.6 | -171.1 | 176.8 | -174.3 | 0 | 113.6 | C108 | C108-K125 PolarHBondContact O-N 3.44Š|
| 126 | G | 40 | Very low | 37.8 | Very low | 16 Ų | 16 | 50 Ų | 50 | 17% | 0.165 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -105.7 | 164.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 127 | G | 35.3 | Very low | 36.9 | Very low | 39 Ų | 39 | 52 Ų | 52 | 40% | 0.402 | 39% | 0.387 | S | S | . | . | | | trans | -65.7 | 149 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G111 C112 G147 | G111-G127 CarbonylContact C-O 3.51Å; G111-G127 WeakPolarHBondContact CA-O 3.26Å; C112-G127 PolarHBondContact N-O 3.13Å; C112-G127 VanDerWaalsContact N-O 3.12Å; G127-G147 WeakPolarHBondContact CA-O 3.48Å |
| 128 | C | 37.9 | Very low | 36.3 | Very low | 16 Ų | 16 | 51.6 Ų | 51.6 | 11% | 0.108 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 130.3 | 179.6 | -171.5 | 0 | 0 | 0 | 0 | 111.7 | C112 G147 C148 G149 | C112-C128 CarbonylContact O-C 3.53Å; C112-C128 WeakPolarHBondContact O-CA 3.29Å; C112-C128 PolarHBondContact O-SG 3.38Å; C112-C128 VanDerWaalsContact O-SG 3.34Å; C128-G147 PolarHBondContact N-O 2.92Å; C128-C148 WeakPolarHBondContact O-CA 3.13Å; C128-G149 PolarHBondContact O-N 3.04Å |
| 129 | G | 34.9 | Very low | 35.7 | Very low | 40 Ų | 40 | 53 Ų | 53 | 41% | 0.412 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | -51.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | C112 G113 | C112-G129 PolarHBondContact O-N 3.16Å; G113-G129 CarbonylContact O-C 3.53Å; G113-G129 WeakPolarHBondContact O-CA 3.49Å; G113-G129 PolarHBondContact O-N 2.9Å |
| 130 | S | 37.9 | Very low | 35.5 | Very low | 59 Ų | 59 | 55.3 Ų | 55.3 | 41% | 0.413 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 116.8 | 179.6 | -76 | 0 | 0 | 0 | 0 | 111.6 | G113 S114 C115 | G113-S130 PolarHBondContact O-N 3Å; S114-S130 VanDerWaalsContact CA-O 3.26Å; S114-S130 WeakPolarHBondContact CA-O 3.19Å; C115-S130 PolarHBondContact N-O 3.1Å; C115-S130 VanDerWaalsContact N-O 3.1Å |
| 131 | C | 37.7 | Very low | 35.1 | Very low | 51 Ų | 51 | 54.4 Ų | 54.4 | 35% | 0.345 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 110.8 | 168.4 | -77.2 | 0 | 0 | 0 | 0 | 108.7 | G133 S150 | C131-G133 PolarHBondContact O-N 2.74Å; C131-S150 PolarHBondContact N-O 2.82Å; C131-S150 VanDerWaalsContact N-O 3.16Å |
| 132 | G | 34.3 | Very low | 34.7 | Very low | 43 Ų | 43 | 55.2 Ų | 55.2 | 44% | 0.443 | 41% | 0.414 | S | S | . | . | | | trans | -62.8 | 125.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | C115 C134 | C115-G132 PolarHBondContact O-N 2.74Å; G132-C134 PolarHBondContact O-N 3.23Å |
| 133 | G | 31.7 | Very low | 34.4 | Very low | 53 Ų | 53 | 55.2 Ų | 55.2 | 55% | 0.546 | 41% | 0.413 | S | S | . | . | | | trans | -50.4 | 129 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112 | C131 K135 | C131-G133 PolarHBondContact O-N 2.74Å; G133-K135 PolarHBondContact O-N 3.37Å; G133-K135 VanDerWaalsContact O-N 3.11Å |
| 134 | C | 29.6 | Very low | 34.1 | Very low | 44 Ų | 44 | 55 Ų | 55 | 30% | 0.297 | 41% | 0.407 | S | S | . | . | | | trans | -64.8 | 111.3 | 170.7 | -52 | 0 | 0 | 0 | 0 | 107.3 | G117 G132 G136 | G117-C134 WeakPolarHBondContact CA-SG 3.36Å; G132-C134 PolarHBondContact O-N 3.23Å; C134-G136 WeakPolarHBondContact CB-O 3.39Å; C134-G136 PolarHBondContact O-N 3.23Å |
| 135 | K | 27.9 | Very low | 33.9 | Very low | 226 Ų | 226 | 61.9 Ų | 61.9 | 98% | 0.983 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -71.1 | 87 | 159.5 | -87.9 | -170.3 | 172.4 | -175.8 | 0 | 106.8 | G133 | G133-K135 PolarHBondContact O-N 3.37Å; G133-K135 VanDerWaalsContact O-N 3.11Å |
| 136 | G | 29.8 | Very low | 33.7 | Very low | 54 Ų | 54 | 56.5 Ų | 56.5 | 56% | 0.557 | 42% | 0.417 | S | S | * | . | S | Bend | trans | 125 | 111.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | C134 C138 | C134-G136 WeakPolarHBondContact CB-O 3.39Å; C134-G136 PolarHBondContact O-N 3.23Å; G136-C138 PolarHBondContact O-N 2.96Å |
| 137 | G | 25.6 | Very low | 33.4 | Very low | 71 Ų | 71 | 57.6 Ų | 57.6 | 73% | 0.732 | 43% | 0.429 | S | S | * | . | | | trans | -53.8 | 131.4 | -170 | 0 | 0 | 0 | 0 | 0 | 113.6 | G139 | G137-G139 PolarHBondContact O-N 3.34Š|
| 138 | C | 28.6 | Very low | 33.3 | Very low | 20 Ų | 20 | 56.6 Ų | 56.6 | 14% | 0.135 | 42% | 0.415 | C | S | . | . | | | trans | -68.6 | 120.7 | 167.1 | -168.2 | 0 | 0 | 0 | 0 | 108.5 | C118 G136 | C118-C138 WeakPolarHBondContact O-CB 3.23Å; C118-C138 PolarHBondContact O-SG 3.42Å; G136-C138 PolarHBondContact O-N 2.96Å |
| 139 | G | 30.3 | Very low | 33.1 | Very low | 56 Ų | 56 | 58.4 Ų | 58.4 | 58% | 0.577 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -75.6 | -22.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G119 G137 | G119-G139 PolarHBondContact O-N 2.92Å; G137-G139 PolarHBondContact O-N 3.34Å |
| 140 | S | 33.4 | Very low | 33.1 | Very low | 83 Ų | 83 | 59.8 Ų | 59.8 | 58% | 0.58 | 44% | 0.44 | S | S | * | . | | | trans | -167.8 | 116.9 | 173.6 | -83.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 141 | C | 34 | Very low | 33 | Very low | 36 Ų | 36 | 57.9 Ų | 57.9 | 24% | 0.243 | 43% | 0.426 | C | S | . | . | B | Isolated β-bridge | trans | -99.5 | 115.9 | 171.6 | -154.8 | 0 | 0 | 0 | 0 | 108.5 | G143 | C141-G143 PolarHBondContact O-N 2.83Å |
| 142 | G | 34.8 | Very low | 32.8 | Very low | 36 Ų | 36 | 57.1 Ų | 57.1 | 37% | 0.371 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 124.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | C121 G123 | C121-G142 PolarHBondContact O-N 2.78Å; C121-G142 VanDerWaalsContact O-N 3.12Å; G123-G142 WeakPolarHBondContact CA-O 3.3Å |
| 143 | G | 34 | Very low | 32.6 | Very low | 35 Ų | 35 | 58.7 Ų | 58.7 | 36% | 0.361 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -47.7 | 136.7 | -167 | 0 | 0 | 0 | 0 | 0 | 115.9 | C141 G158 | C141-G143 PolarHBondContact O-N 2.83Å; G143-G158 WeakPolarHBondContact CA-O 3.17Å |
| 144 | C | 36.4 | Very low | 32.5 | Very low | 25 Ų | 25 | 59 Ų | 59 | 17% | 0.169 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 131.2 | 172.5 | -62.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 145 | K | 36.6 | Very low | 32.6 | Very low | 163 Ų | 163 | 60 Ų | 60 | 71% | 0.709 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -86.4 | -6.7 | 174.1 | -81.3 | -172 | 174.4 | -173.9 | 0 | 113.9 | C124 | C124-K145 PolarHBondContact O-N 2.78Š|
| 146 | G | 36.3 | Very low | 32.8 | Very low | 20 Ų | 20 | 53.2 Ų | 53.2 | 21% | 0.206 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -119 | 158.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 147 | G | 33.5 | Very low | 32.8 | Very low | 40 Ų | 40 | 52.6 Ų | 52.6 | 41% | 0.412 | 42% | 0.422 | S | S | . | . | | | trans | -64.1 | 147.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G127 C128 | G127-G147 WeakPolarHBondContact CA-O 3.48Å; C128-G147 PolarHBondContact N-O 2.92Å |
| 148 | C | 34.3 | Very low | 33.1 | Very low | 18 Ų | 18 | 51.7 Ų | 51.7 | 12% | 0.122 | 41% | 0.413 | C | S | . | . | B | Isolated β-bridge | trans | -113.9 | 124.6 | 178.2 | -68.1 | 0 | 0 | 0 | 0 | 109.7 | C128 G163 | C128-C148 WeakPolarHBondContact O-CA 3.13Å; C148-G163 PolarHBondContact N-O 3.25Å |
| 149 | G | 33.3 | Very low | 33.2 | Very low | 54 Ų | 54 | 53.5 Ų | 53.5 | 56% | 0.557 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -72 | -35.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | C128 | C128-G149 PolarHBondContact O-N 3.04Š|
| 150 | S | 36.1 | Very low | 33.3 | Very low | 68 Ų | 68 | 51.8 Ų | 51.8 | 48% | 0.476 | 41% | 0.413 | S | S | . | . | | | trans | -158.5 | 123.7 | 177.6 | -71.5 | 0 | 0 | 0 | 0 | 110.8 | C131 | C131-S150 PolarHBondContact N-O 2.82Å; C131-S150 VanDerWaalsContact N-O 3.16Å |
| 151 | C | 34 | Very low | 33.3 | Very low | 20 Ų | 20 | 57.3 Ų | 57.3 | 14% | 0.135 | 43% | 0.427 | C | S | . | . | B | Isolated β-bridge | trans | -117.4 | 119.3 | 175.7 | -66.1 | 0 | 0 | 0 | 0 | 109 | | |
| 152 | G | 33.4 | Very low | 33.3 | Very low | 35 Ų | 35 | 57 Ų | 57 | 36% | 0.361 | 43% | 0.429 | S | S | . | . | | | trans | -71.3 | 153.5 | 160 | 0 | 0 | 0 | 0 | 0 | 110.6 | C154 | G152-C154 PolarHBondContact O-N 2.85Å; G152-C154 PolarHBondContact O-SG 2.98Å; G152-C154 VanDerWaalsContact O-SG 3.38Å |
| 153 | G | 30.8 | Very low | 33.1 | Very low | 75 Ų | 75 | 56.8 Ų | 56.8 | 77% | 0.773 | 43% | 0.427 | S | S | * | . | | | trans | -40.7 | 125.8 | -167 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 154 | C | 29.8 | Very low | 32.9 | Very low | 59 Ų | 59 | 55.7 Ų | 55.7 | 40% | 0.399 | 41% | 0.414 | S | S | . | . | | | trans | -110.1 | 132.7 | 175.5 | -37.6 | 0 | 0 | 0 | 0 | 108.8 | G152 | G152-C154 PolarHBondContact O-N 2.85Å; G152-C154 PolarHBondContact O-SG 2.98Å; G152-C154 VanDerWaalsContact O-SG 3.38Å |
| 155 | G | 31.2 | Very low | 32.6 | Very low | 65 Ų | 65 | 55 Ų | 55 | 67% | 0.67 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -72.6 | -27.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 156 | S | 31.6 | Very low | 32.5 | Very low | 84 Ų | 84 | 48.5 Ų | 48.5 | 59% | 0.587 | 39% | 0.387 | S | S | * | . | | | trans | -163.1 | 122.9 | 172.3 | -79.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 157 | C | 31.4 | Very low | 32 | Very low | 42 Ų | 42 | 48.7 Ų | 48.7 | 28% | 0.284 | 38% | 0.384 | S | S | . | . | B | Isolated β-bridge | trans | -119.6 | 117.3 | 180 | -124.7 | 0 | 0 | 0 | 0 | 109.5 | G159 C167 | C157-G159 PolarHBondContact O-N 3.41Å; C157-G159 VanDerWaalsContact O-N 3.09Å; C157-C167 WeakPolarHBondContact CB-SG 3.49Å |
| 158 | G | 31.7 | Very low | 31.9 | Very low | 52 Ų | 52 | 49.3 Ų | 49.3 | 54% | 0.536 | 39% | 0.391 | S | S | . | . | | | trans | -75.5 | 93.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | G143 | G143-G158 WeakPolarHBondContact CA-O 3.17Š|
| 159 | G | 30.4 | Very low | 31.6 | Very low | 57 Ų | 57 | 50.1 Ų | 50.1 | 59% | 0.588 | 40% | 0.402 | S | S | * | . | | | trans | 47.2 | 99 | 161.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | C157 | C157-G159 PolarHBondContact O-N 3.41Å; C157-G159 VanDerWaalsContact O-N 3.09Å |
| 160 | C | 31.9 | Very low | 31.3 | Very low | 20 Ų | 20 | 48.9 Ų | 48.9 | 14% | 0.135 | 39% | 0.385 | C | S | . | . | | | trans | -81.4 | 137.1 | 167.2 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | G162 | C160-G162 VanDerWaalsContact C-N 3.34Š|
| 161 | K | 33.5 | Very low | 31.1 | Very low | 199 Ų | 199 | 54.8 Ų | 54.8 | 87% | 0.865 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -93.8 | 20.5 | 171.5 | -97.2 | -168.8 | 176.7 | -172.5 | 0 | 113.6 | | |
| 162 | G | 34.8 | Very low | 31 | Very low | 29 Ų | 29 | 55.9 Ų | 55.9 | 30% | 0.299 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -159.1 | 161.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111 | C160 C164 | C160-G162 VanDerWaalsContact C-N 3.34Å; G162-C164 PolarHBondContact O-N 3.2Å |
| 163 | G | 29.7 | Very low | 30.7 | Very low | 32 Ų | 32 | 57.8 Ų | 57.8 | 33% | 0.33 | 44% | 0.436 | S | S | . | . | | | trans | -51.1 | 135.8 | -175 | 0 | 0 | 0 | 0 | 0 | 113 | C148 | C148-G163 PolarHBondContact N-O 3.25Š|
| 164 | C | 29.6 | Very low | 30.7 | Very low | 12 Ų | 12 | 55.5 Ų | 55.5 | 8% | 0.081 | 41% | 0.408 | C | S | . | . | | | trans | -130.7 | 133.5 | -176.9 | -154.8 | 0 | 0 | 0 | 0 | 109 | G162 S166 C167 | G162-C164 PolarHBondContact O-N 3.2Å; C164-S166 VanDerWaalsContact C-N 3.31Å; C164-S166 PolarHBondContact O-N 3.3Å; C164-C167 HydrophobicContact CB-CB 4.44Å |
| 165 | G | 31.6 | Very low | 30.8 | Very low | 11 Ų | 11 | 54.9 Ų | 54.9 | 11% | 0.113 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -76.7 | -9.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 166 | S | 33.3 | Very low | 30.8 | Very low | 27 Ų | 27 | 55.9 Ų | 55.9 | 19% | 0.189 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -171.9 | 108.5 | 169.1 | -80.3 | 0 | 0 | 0 | 0 | 109.5 | C164 C180 | C164-S166 VanDerWaalsContact C-N 3.31Å; C164-S166 PolarHBondContact O-N 3.3Å; S166-C180 PolarHBondContact OG-SG 3.34Å |
| 167 | C | 26.6 | Very low | 30.8 | Very low | 23 Ų | 23 | 54 Ų | 54 | 16% | 0.155 | 40% | 0.395 | C | S | . | . | | | trans | -157.6 | 138.7 | 167.3 | -100.8 | 0 | 0 | 0 | 0 | 110.7 | C157 C164 G169 | C157-C167 WeakPolarHBondContact CB-SG 3.49Å; C164-C167 HydrophobicContact CB-CB 4.44Å; C167-G169 PolarHBondContact O-N 3.22Å; C167-G169 VanDerWaalsContact O-N 3.16Å |
| 168 | G | 30.6 | Very low | 30.7 | Very low | 54 Ų | 54 | 54.2 Ų | 54.2 | 56% | 0.557 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -63.9 | 110.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 169 | G | 28.2 | Very low | 30.5 | Very low | 34 Ų | 34 | 55.5 Ų | 55.5 | 35% | 0.351 | 42% | 0.417 | S | S | . | . | | | trans | 81.7 | 88.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | C167 C186 | C167-G169 PolarHBondContact O-N 3.22Å; C167-G169 VanDerWaalsContact O-N 3.16Å; G169-C186 WeakPolarHBondContact CA-SG 3.12Å; G169-C186 PolarHBondContact N-SG 3.12Å |
| 170 | C | 28 | Very low | 30.4 | Very low | 29 Ų | 29 | 54.4 Ų | 54.4 | 20% | 0.196 | 40% | 0.4 | C | S | . | . | | | trans | -115.1 | 136 | 168 | -69.4 | 0 | 0 | 0 | 0 | 112 | | |
| 171 | K | 30.6 | Very low | 30.2 | Very low | 192 Ų | 192 | 57.3 Ų | 57.3 | 84% | 0.835 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -94.7 | 83.8 | 163.9 | -83.9 | -176.6 | 177 | 175.3 | 0 | 108.5 | | |
| 172 | G | 31.3 | Very low | 29.9 | Very low | 43 Ų | 43 | 53.1 Ų | 53.1 | 44% | 0.443 | 43% | 0.429 | S | S | . | . | S | Bend | trans | 165.1 | 151.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 173 | G | 27.9 | Very low | 29.5 | Very low | 75 Ų | 75 | 53.8 Ų | 53.8 | 77% | 0.773 | 43% | 0.429 | S | S | * | . | | | trans | -67.6 | 141.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 174 | C | 31.2 | Very low | 29.4 | Very low | 27 Ų | 27 | 55.7 Ų | 55.7 | 18% | 0.182 | 45% | 0.448 | C | S | . | . | | | trans | -119.5 | 134.4 | -175.2 | 43.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 175 | G | 32 | Very low | 29.3 | Very low | 46 Ų | 46 | 58.8 Ų | 58.8 | 47% | 0.474 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -82.8 | -34.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 176 | S | 31.3 | Very low | 29.1 | Very low | 86 Ų | 86 | 60 Ų | 60 | 60% | 0.601 | 49% | 0.489 | S | S | * | . | | | trans | -154.3 | 124.6 | 175.2 | -68.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 177 | C | 31.5 | Very low | 29.1 | Very low | 44 Ų | 44 | 67.2 Ų | 67.2 | 30% | 0.297 | 52% | 0.516 | S | S | . | . | B | Isolated β-bridge | trans | -114.8 | 120.9 | 173.5 | -67.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 178 | G | 30 | Very low | 29.4 | Very low | 47 Ų | 47 | 66.8 Ų | 66.8 | 49% | 0.485 | 52% | 0.516 | S | S | . | . | | | trans | -74.7 | 154.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | C180 | G178-C180 PolarHBondContact O-N 3.47Š|
| 179 | G | 27 | Very low | 29.2 | Very low | 78 Ų | 78 | 65.3 Ų | 65.3 | 80% | 0.804 | 50% | 0.501 | S | S | * | . | | | trans | -53.8 | 131.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 180 | C | 27.4 | Very low | 29.1 | Very low | 35 Ų | 35 | 65.3 Ų | 65.3 | 24% | 0.236 | 50% | 0.495 | C | S | . | . | | | trans | -115.5 | 132.6 | 172.8 | -70.1 | 0 | 0 | 0 | 0 | 109.5 | S166 G178 | S166-C180 PolarHBondContact OG-SG 3.34Å; G178-C180 PolarHBondContact O-N 3.47Å |
| 181 | G | 27.8 | Very low | 29.1 | Very low | 80 Ų | 80 | 65.2 Ų | 65.2 | 83% | 0.825 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -77.5 | -14.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 182 | S | 27.8 | Very low | 29.2 | Very low | 112 Ų | 112 | 60.5 Ų | 60.5 | 78% | 0.783 | 49% | 0.49 | S | S | * | . | | | trans | -172.6 | 134.3 | 169.1 | -84.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 183 | C | 25.1 | Very low | 29 | Very low | 43 Ų | 43 | 59.5 Ų | 59.5 | 29% | 0.291 | 48% | 0.476 | S | S | . | . | | | trans | -143.2 | 122.7 | 173 | -88.9 | 0 | 0 | 0 | 0 | 110.3 | C190 | C183-C190 HydrophobicContact CB-CB 4.44Š|
| 184 | G | 27.8 | Very low | 29.2 | Very low | 72 Ų | 72 | 59.9 Ų | 59.9 | 74% | 0.742 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -76.2 | 118.5 | 167 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 185 | G | 27.3 | Very low | 29.1 | Very low | 76 Ų | 76 | 60.7 Ų | 60.7 | 78% | 0.784 | 49% | 0.492 | S | S | * | . | | | trans | 59.4 | 78.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 186 | C | 28.9 | Very low | 29.1 | Very low | 38 Ų | 38 | 59.3 Ų | 59.3 | 26% | 0.257 | 48% | 0.475 | S | S | . | . | | | trans | -108.5 | 142.9 | 166.6 | -66.4 | 0 | 0 | 0 | 0 | 111.4 | G169 G188 | G169-C186 WeakPolarHBondContact CA-SG 3.12Å; G169-C186 PolarHBondContact N-SG 3.12Å; C186-G188 WeakPolarHBondContact CB-O 3.35Å; C186-G188 PolarHBondContact O-N 3.07Å |
| 187 | K | 33 | Very low | 29.2 | Very low | 178 Ų | 178 | 64 Ų | 64 | 77% | 0.774 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -84 | 20.6 | 168.2 | -90.8 | -171.2 | 175.5 | -174.1 | 0 | 112.7 | | |
| 188 | G | 31.8 | Very low | 29.4 | Very low | 14 Ų | 14 | 63.8 Ų | 63.8 | 14% | 0.144 | 49% | 0.49 | C | S | . | . | S | Bend | trans | -162.3 | 156.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | C186 | C186-G188 WeakPolarHBondContact CB-O 3.35Å; C186-G188 PolarHBondContact O-N 3.07Å |
| 189 | G | 28.3 | Very low | 29.4 | Very low | 23 Ų | 23 | 64.4 Ų | 64.4 | 24% | 0.237 | 50% | 0.496 | C | S | . | . | | | trans | -43.1 | 140.5 | -163.3 | 0 | 0 | 0 | 0 | 0 | 119 | C196 | G189-C196 WeakPolarHBondContact CA-SG 3.28Š|
| 190 | C | 24.4 | Very low | 29.8 | Very low | 34 Ų | 34 | 61.9 Ų | 61.9 | 23% | 0.23 | 47% | 0.466 | C | S | . | . | | | trans | -142.1 | 152.6 | 173.8 | -75.2 | 0 | 0 | 0 | 0 | 112.1 | C183 S192 C193 | C183-C190 HydrophobicContact CB-CB 4.44Å; C190-S192 PolarHBondContact O-N 3.13Å; C190-S192 VanDerWaalsContact O-N 3.15Å; C190-C193 PolarHBondContact N-SG 3.33Å; C190-C193 VanDerWaalsContact O-CB 3.22Å; C190-C193 WeakPolarHBondContact O-CB 3.39Å; C190-C193 PolarHBondContact O-N 3.46Å; C190-C193 PolarHBondContact O-SG 3.39Å |
| 191 | G | 29.3 | Very low | 30 | Very low | 27 Ų | 27 | 63.8 Ų | 63.8 | 28% | 0.278 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -71.8 | 4.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 192 | S | 31.8 | Very low | 30.4 | Very low | 92 Ų | 92 | 62.3 Ų | 62.3 | 64% | 0.643 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -148.3 | 89.6 | 154.7 | -85 | 0 | 0 | 0 | 0 | 105.5 | C190 | C190-S192 PolarHBondContact O-N 3.13Å; C190-S192 VanDerWaalsContact O-N 3.15Å |
| 193 | C | 28.4 | Very low | 31 | Very low | 23 Ų | 23 | 58.6 Ų | 58.6 | 16% | 0.155 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 112.4 | -171.7 | -117.9 | 0 | 0 | 0 | 0 | 110 | C190 G195 C196 G210 | C190-C193 PolarHBondContact N-SG 3.33Å; C190-C193 VanDerWaalsContact O-CB 3.22Å; C190-C193 WeakPolarHBondContact O-CB 3.39Å; C190-C193 PolarHBondContact O-N 3.46Å; C190-C193 PolarHBondContact O-SG 3.39Å; C193-G195 VanDerWaalsContact C-N 3.29Å; C193-G195 PolarHBondContact O-N 3.42Å; C193-G195 VanDerWaalsContact O-N 3.07Å; C193-C196 PolarHBondContact SG-SG 3.15Å; C193-G210 PolarHBondContact O-N 3.21Å; C193-G210 VanDerWaalsContact O-N 3.13Å |
| 194 | G | 30.7 | Very low | 31.5 | Very low | 82 Ų | 82 | 58.7 Ų | 58.7 | 85% | 0.845 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 94.8 | 147.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 195 | G | 30.4 | Very low | 31.9 | Very low | 44 Ų | 44 | 57.9 Ų | 57.9 | 45% | 0.454 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 53.8 | 105.8 | 163 | 0 | 0 | 0 | 0 | 0 | 118.5 | C193 G210 | C193-G195 VanDerWaalsContact C-N 3.29Å; C193-G195 PolarHBondContact O-N 3.42Å; C193-G195 VanDerWaalsContact O-N 3.07Å; G195-G210 VanDerWaalsContact CA-O 3.28Å; G195-G210 WeakPolarHBondContact CA-O 3.41Å; G195-G210 PolarHBondContact N-O 3.1Å |
| 196 | C | 31.5 | Very low | 32.2 | Very low | 17 Ų | 17 | 55.5 Ų | 55.5 | 12% | 0.115 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 133.6 | 167.9 | -75.5 | 0 | 0 | 0 | 0 | 112.7 | G189 C193 K213 | G189-C196 WeakPolarHBondContact CA-SG 3.28Å; C193-C196 PolarHBondContact SG-SG 3.15Å; C196-K213 PolarHBondContact O-N 3.25Å |
| 197 | K | 33.7 | Very low | 32.6 | Very low | 186 Ų | 186 | 56.4 Ų | 56.4 | 81% | 0.809 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -90.9 | 1.3 | 176.5 | -84.2 | -173.8 | 176.2 | -179.4 | 0 | 114.7 | | |
| 198 | G | 34.3 | Very low | 32.7 | Very low | 39 Ų | 39 | 51.2 Ų | 51.2 | 40% | 0.402 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -132 | 151 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 199 | G | 30.8 | Very low | 33.1 | Very low | 59 Ų | 59 | 51.9 Ų | 51.9 | 61% | 0.608 | 41% | 0.405 | S | S | * | . | | | trans | -69.1 | 153 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 200 | C | 34.6 | Very low | 33.6 | Very low | 25 Ų | 25 | 52.9 Ų | 52.9 | 17% | 0.169 | 42% | 0.415 | C | S | . | . | B | Isolated β-bridge | trans | -133.2 | 138.9 | -174.5 | -161.4 | 0 | 0 | 0 | 0 | 110.6 | C203 G215 C216 | C200-C203 VanDerWaalsContact SG-SG 3.68Å; C200-G215 PolarHBondContact N-O 3.04Å; C200-C216 WeakPolarHBondContact O-CA 3.27Å; C200-C216 PolarHBondContact O-SG 2.91Å |
| 201 | S | 32.9 | Very low | 34.3 | Very low | 76 Ų | 76 | 51.9 Ų | 51.9 | 53% | 0.531 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -77.9 | -33.7 | -175.7 | -53.9 | 0 | 0 | 0 | 0 | 113.2 | S217 | S201-S217 WeakPolarHBondContact O-CB 3.42Š|
| 202 | S | 35.4 | Very low | 34.9 | Very low | 48 Ų | 48 | 51.7 Ų | 51.7 | 34% | 0.336 | 41% | 0.405 | S | S | . | . | | | trans | -155.3 | 122.5 | 175 | -172.8 | 0 | 0 | 0 | 0 | 110.1 | S218 | S202-S218 WeakPolarHBondContact CA-O 3.44Š|
| 203 | C | 39.7 | Very low | 35.3 | Very low | 34 Ų | 34 | 53.5 Ų | 53.5 | 23% | 0.23 | 40% | 0.402 | C | S | . | . | B | Isolated β-bridge | trans | -105.5 | 115.7 | 173 | -67.9 | 0 | 0 | 0 | 0 | 109.3 | C200 S218 G220 | C200-C203 VanDerWaalsContact SG-SG 3.68Å; C203-S218 PolarHBondContact N-O 3.18Å; C203-G220 PolarHBondContact O-N 3.35Å |
| 204 | G | 37 | Very low | 35.9 | Very low | 45 Ų | 45 | 53.3 Ų | 53.3 | 46% | 0.464 | 40% | 0.403 | S | S | . | . | | | trans | -63.7 | 158.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 205 | G | 35.3 | Very low | 36.2 | Very low | 56 Ų | 56 | 51.4 Ų | 51.4 | 58% | 0.577 | 38% | 0.384 | S | S | * | . | | | trans | -55.5 | 137.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G221 | G205-G221 WeakPolarHBondContact CA-O 3.33Š|
| 206 | C | 34.9 | Very low | 36.7 | Very low | 26 Ų | 26 | 49.8 Ų | 49.8 | 18% | 0.176 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 140.2 | -175.7 | 43.6 | 0 | 0 | 0 | 0 | 110.8 | G221 C222 G223 | C206-G221 PolarHBondContact N-O 2.81Å; C206-C222 WeakPolarHBondContact O-CA 3.47Å; C206-C222 WeakPolarHBondContact O-CB 3.43Å; C206-G223 PolarHBondContact O-N 3.37Å |
| 207 | G | 35.5 | Very low | 37 | Very low | 56 Ų | 56 | 53 Ų | 53 | 58% | 0.577 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.9 | -38.7 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | S224 | G207-S224 PolarHBondContact O-N 3.34Å |
| 208 | S | 36.8 | Very low | 37.3 | Very low | 70 Ų | 70 | 46.6 Ų | 46.6 | 49% | 0.49 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 126 | 174.3 | -72.9 | 0 | 0 | 0 | 0 | 110.6 | S224 | S208-S224 WeakPolarHBondContact CA-O 3.22Å |
| 209 | C | 39.2 | Very low | 37.8 | Very low | 27 Ų | 27 | 45.8 Ų | 45.8 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 114.4 | -178.5 | -164.6 | 0 | 0 | 0 | 0 | 111 | G211 S224 G226 | C209-G211 PolarHBondContact O-N 3Å; C209-S224 PolarHBondContact N-O 3.43Å; C209-G226 PolarHBondContact O-N 3.2Å |
| 210 | G | 39.8 | Very low | 38.3 | Very low | 44 Ų | 44 | 44.4 Ų | 44.4 | 45% | 0.454 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 56 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | C193 G195 | C193-G210 PolarHBondContact O-N 3.21Å; C193-G210 VanDerWaalsContact O-N 3.13Å; G195-G210 VanDerWaalsContact CA-O 3.28Å; G195-G210 WeakPolarHBondContact CA-O 3.41Å; G195-G210 PolarHBondContact N-O 3.1Å |
| 211 | G | 38.9 | Very low | 38.5 | Very low | 14 Ų | 14 | 45 Ų | 45 | 14% | 0.144 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 65.4 | 127.8 | 167 | 0 | 0 | 0 | 0 | 0 | 117.6 | C209 G227 | C209-G211 PolarHBondContact O-N 3Å; G211-G227 VanDerWaalsContact CA-O 3.27Å; G211-G227 WeakPolarHBondContact CA-O 3.08Å |
| 212 | C | 41.6 | Very low | 38.8 | Very low | 22 Ų | 22 | 42.4 Ų | 42.4 | 15% | 0.149 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 125.7 | 173.3 | -64.6 | 0 | 0 | 0 | 0 | 110.8 | K229 | C212-K229 PolarHBondContact O-N 2.97Å |
| 213 | K | 39.7 | Very low | 38.9 | Very low | 131 Ų | 131 | 42 Ų | 42 | 57% | 0.57 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -84 | -12.3 | 173.2 | -77.8 | -174.3 | 175.7 | -178.3 | 0 | 114 | C196 | C196-K213 PolarHBondContact O-N 3.25Š|
| 214 | G | 42.2 | Very low | 39 | Very low | 18 Ų | 18 | 43 Ų | 43 | 19% | 0.186 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -115 | 157.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 215 | G | 35.9 | Very low | 39.3 | Very low | 42 Ų | 42 | 41.8 Ų | 41.8 | 43% | 0.433 | 33% | 0.327 | S | S | . | . | | | trans | -61.5 | 150.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | C200 | C200-G215 PolarHBondContact N-O 3.04Š|
| 216 | C | 41.4 | Very low | 39.6 | Very low | 10 Ų | 10 | 42 Ų | 42 | 7% | 0.068 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 132.5 | 179.4 | -170.1 | 0 | 0 | 0 | 0 | 111 | C200 S218 C219 G231 C232 G233 | C200-C216 WeakPolarHBondContact O-CA 3.27Å; C200-C216 PolarHBondContact O-SG 2.91Å; C216-S218 PolarHBondContact SG-O 3.45Å; C216-S218 VanDerWaalsContact SG-O 3.32Å; C216-C219 PolarHBondContact SG-SG 2.99Å; C216-G231 PolarHBondContact N-O 3.23Å; C216-C232 WeakPolarHBondContact O-CA 3.38Å; C216-G233 PolarHBondContact O-N 2.93Å |
| 217 | S | 37.8 | Very low | 40 | Very low | 85 Ų | 85 | 41.2 Ų | 41.2 | 59% | 0.594 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | -35.3 | -178.1 | -48.6 | 0 | 0 | 0 | 0 | 112.3 | S201 S234 | S201-S217 WeakPolarHBondContact O-CB 3.42Å; S217-S234 PolarHBondContact O-N 3.09Å |
| 218 | S | 39.7 | Very low | 40.5 | Very low | 52 Ų | 52 | 39.2 Ų | 39.2 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 124 | 177.1 | -172.1 | 0 | 0 | 0 | 0 | 111.6 | S202 C203 C216 S234 | S202-S218 WeakPolarHBondContact CA-O 3.44Å; C203-S218 PolarHBondContact N-O 3.18Å; C216-S218 PolarHBondContact SG-O 3.45Å; C216-S218 VanDerWaalsContact SG-O 3.32Å; S218-S234 WeakPolarHBondContact CA-O 3.06Å |
| 219 | C | 44.7 | Very low | 40.8 | Very low | 22 Ų | 22 | 42.8 Ų | 42.8 | 15% | 0.149 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 120.2 | 170.5 | -68 | 0 | 0 | 0 | 0 | 109.5 | C216 S234 C235 G236 | C216-C219 PolarHBondContact SG-SG 2.99Å; C219-S234 PolarHBondContact N-O 2.05Å; C219-C235 WeakPolarHBondContact O-CA 3.46Å; C219-G236 PolarHBondContact O-N 3.32Å |
| 220 | G | 41.4 | Very low | 41.1 | Very low | 29 Ų | 29 | 42.3 Ų | 42.3 | 30% | 0.299 | 31% | 0.309 | S | S | . | . | | | trans | -65.6 | 160.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | C203 | C203-G220 PolarHBondContact O-N 3.35Š|
| 221 | G | 38.7 | Very low | 41 | Very low | 38 Ų | 38 | 42 Ų | 42 | 39% | 0.392 | 31% | 0.305 | S | S | . | . | | | trans | -55.9 | 139.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G205 C206 G237 | G205-G221 WeakPolarHBondContact CA-O 3.33Å; C206-G221 PolarHBondContact N-O 2.81Å; G221-G237 WeakPolarHBondContact CA-O 3.45Å |
| 222 | C | 40.1 | Very low | 41.2 | Very low | 21 Ų | 21 | 41.7 Ų | 41.7 | 14% | 0.142 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 141.3 | -178.6 | 51.1 | 0 | 0 | 0 | 0 | 111.6 | C206 C238 G239 | C206-C222 WeakPolarHBondContact O-CA 3.47Å; C206-C222 WeakPolarHBondContact O-CB 3.43Å; C222-C238 VanDerWaalsContact O-CA 3.27Å; C222-C238 WeakPolarHBondContact O-CA 3.49Å; C222-G239 PolarHBondContact O-N 3.48Å; C222-G239 VanDerWaalsContact O-N 3.07Å |
| 223 | G | 37.7 | Very low | 41.2 | Very low | 40 Ų | 40 | 42.6 Ų | 42.6 | 41% | 0.412 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | -42.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C206 S240 | C206-G223 PolarHBondContact O-N 3.37Å; G223-S240 PolarHBondContact O-N 3.21Å |
| 224 | S | 40.9 | Very low | 41.4 | Very low | 56 Ų | 56 | 39.4 Ų | 39.4 | 39% | 0.392 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 125.1 | 175.3 | -71 | 0 | 0 | 0 | 0 | 111 | G207 S208 C209 | G207-S224 PolarHBondContact O-N 3.34Å; S208-S224 WeakPolarHBondContact CA-O 3.22Å; C209-S224 PolarHBondContact N-O 3.43Å |
| 225 | C | 43 | Very low | 41.5 | Very low | 19 Ų | 19 | 39.8 Ų | 39.8 | 13% | 0.128 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 123.3 | -179.7 | -173 | 0 | 0 | 0 | 0 | 111.7 | G227 S240 G242 | C225-G227 PolarHBondContact O-N 2.93Å; C225-G227 VanDerWaalsContact O-N 3.1Å; C225-S240 PolarHBondContact N-O 2.95Å; C225-G242 PolarHBondContact O-N 2.87Å |
| 226 | G | 41.9 | Very low | 41.9 | Very low | 60 Ų | 60 | 39.4 Ų | 39.4 | 62% | 0.619 | 30% | 0.304 | S | S | * | . | | | trans | -73 | 9.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | C209 | C209-G226 PolarHBondContact O-N 3.2Š|
| 227 | G | 43.2 | Very low | 41.9 | Very low | 9 Ų | 9 | 41.5 Ų | 41.5 | 9% | 0.093 | 33% | 0.327 | C | S | . | . | | | trans | 90.7 | 141.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | G211 C225 G243 | G211-G227 VanDerWaalsContact CA-O 3.27Å; G211-G227 WeakPolarHBondContact CA-O 3.08Å; C225-G227 PolarHBondContact O-N 2.93Å; C225-G227 VanDerWaalsContact O-N 3.1Å; G227-G243 WeakPolarHBondContact CA-O 3.22Å |
| 228 | C | 45.1 | Very low | 42 | Very low | 14 Ų | 14 | 38 Ų | 38 | 10% | 0.095 | 30% | 0.302 | C | S | . | . | | | trans | -95.5 | 134.8 | 177.1 | -63.9 | 0 | 0 | 0 | 0 | 110.7 | C244 K245 | C228-C244 WeakPolarHBondContact O-CA 3.27Å; C228-K245 PolarHBondContact O-N 2.96Å |
| 229 | K | 43.9 | Very low | 42 | Very low | 146 Ų | 146 | 37.2 Ų | 37.2 | 64% | 0.635 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -90.9 | -1.7 | 175.5 | -78.2 | -170.6 | 175.4 | -174.2 | 0 | 114 | C212 K245 | C212-K229 PolarHBondContact O-N 2.97Å; K229-K245 CarbonylContact C-O 3.53Å |
| 230 | G | 45.6 | Very low | 41.9 | Very low | 17 Ų | 17 | 39 Ų | 39 | 18% | 0.175 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -127 | 164.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 231 | G | 38.7 | Very low | 41.9 | Very low | 36 Ų | 36 | 38.5 Ų | 38.5 | 37% | 0.371 | 31% | 0.307 | S | S | . | . | | | trans | -60.1 | 144.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | C216 S247 | C216-G231 PolarHBondContact N-O 3.23Å; G231-S247 WeakPolarHBondContact CA-O 3.49Å |
| 232 | C | 43.1 | Very low | 42.1 | Very low | 9 Ų | 9 | 39.4 Ų | 39.4 | 6% | 0.061 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 128.2 | 178.9 | 41.7 | 0 | 0 | 0 | 0 | 111.8 | C216 S247 C248 G249 | C216-C232 WeakPolarHBondContact O-CA 3.38Å; C232-S247 PolarHBondContact N-O 3.31Å; C232-C248 HydrophobicContact CB-CB 4.41Å; C232-C248 WeakPolarHBondContact CB-SG 3.4Å; C232-C248 VanDerWaalsContact O-CA 3.23Å; C232-C248 WeakPolarHBondContact O-CA 3.33Å; C232-C248 PolarHBondContact O-SG 3.07Å; C232-C248 WeakPolarHBondContact SG-CB 3.22Å; C232-C248 CovalentContact SG-SG 2.05Å; C232-C248 PolarHBondContact SG-SG 3.25Å; C232-G249 PolarHBondContact O-N 3.46Å; C232-G249 VanDerWaalsContact O-N 3.1Å |
| 233 | G | 41.2 | Very low | 42.4 | Very low | 40 Ų | 40 | 39.1 Ų | 39.1 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | -52.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C216 G249 | C216-G233 PolarHBondContact O-N 2.93Å; G233-G249 WeakPolarHBondContact O-CA 3.21Å |
| 234 | S | 43.5 | Very low | 42.6 | Very low | 64 Ų | 64 | 37.4 Ų | 37.4 | 45% | 0.448 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 121.2 | 178 | -64.8 | 0 | 0 | 0 | 0 | 110.6 | S217 S218 C219 | S217-S234 PolarHBondContact O-N 3.09Å; S218-S234 WeakPolarHBondContact CA-O 3.06Å; C219-S234 PolarHBondContact N-O 2.05Å |
| 235 | C | 44.8 | Very low | 42.7 | Very low | 26 Ų | 26 | 41.1 Ų | 41.1 | 18% | 0.176 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.6 | 169.6 | -62.3 | 0 | 0 | 0 | 0 | 109.7 | C219 S250 | C219-C235 WeakPolarHBondContact O-CA 3.46Å; C235-S250 VanDerWaalsContact CB-O 3.29Å; C235-S250 WeakPolarHBondContact CB-O 3.44Å; C235-S250 PolarHBondContact N-O 3.46Å; C235-S250 VanDerWaalsContact N-O 3.11Å |
| 236 | G | 43.1 | Very low | 42.8 | Very low | 35 Ų | 35 | 41.4 Ų | 41.4 | 36% | 0.361 | 31% | 0.314 | S | S | . | . | | | trans | -66.8 | 158.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | C219 C238 | C219-G236 PolarHBondContact O-N 3.32Å; G236-C238 PolarHBondContact O-N 3.27Å |
| 237 | G | 41.5 | Very low | 42.6 | Very low | 53 Ų | 53 | 43.3 Ų | 43.3 | 55% | 0.546 | 32% | 0.318 | S | S | . | . | | | trans | -48.6 | 134.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G221 | G221-G237 WeakPolarHBondContact CA-O 3.45Š|
| 238 | C | 41.1 | Very low | 42.5 | Very low | 11 Ų | 11 | 43 Ų | 43 | 7% | 0.074 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -114.4 | 140.2 | 177.8 | 45.8 | 0 | 0 | 0 | 0 | 110.1 | C222 G236 | C222-C238 VanDerWaalsContact O-CA 3.27Å; C222-C238 WeakPolarHBondContact O-CA 3.49Å; G236-C238 PolarHBondContact O-N 3.27Å |
| 239 | G | 38.4 | Very low | 42.1 | Very low | 36 Ų | 36 | 43.7 Ų | 43.7 | 37% | 0.371 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -71.3 | -35.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C222 | C222-G239 PolarHBondContact O-N 3.48Å; C222-G239 VanDerWaalsContact O-N 3.07Å |
| 240 | S | 42.7 | Very low | 42.2 | Very low | 60 Ų | 60 | 38.4 Ų | 38.4 | 42% | 0.42 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -152 | 122 | 174 | -72.6 | 0 | 0 | 0 | 0 | 110.2 | G223 C225 | G223-S240 PolarHBondContact O-N 3.21Å; C225-S240 PolarHBondContact N-O 2.95Å |
| 241 | C | 42 | Very low | 42 | Very low | 19 Ų | 19 | 37.8 Ų | 37.8 | 13% | 0.128 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -118.4 | 123.6 | -178.4 | -170.1 | 0 | 0 | 0 | 0 | 111.6 | G243 | C241-G243 PolarHBondContact O-N 3.37Å |
| 242 | G | 43.5 | Very low | 42.3 | Very low | 57 Ų | 57 | 36.4 Ų | 36.4 | 59% | 0.588 | 28% | 0.284 | S | S | * | . | | | trans | -75 | 9.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | C225 | C225-G242 PolarHBondContact O-N 2.87Š|
| 243 | G | 44.6 | Very low | 42.5 | Very low | 14 Ų | 14 | 36 Ų | 36 | 14% | 0.144 | 28% | 0.281 | C | S | . | . | | | trans | 88.4 | 131.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | G227 C241 G253 | G227-G243 WeakPolarHBondContact CA-O 3.22Å; C241-G243 PolarHBondContact O-N 3.37Å; G243-G253 WeakPolarHBondContact CA-O 3.23Å |
| 244 | C | 43.8 | Very low | 42.6 | Very low | 4 Ų | 4 | 34.2 Ų | 34.2 | 3% | 0.027 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -86.8 | 140 | 172.8 | -65.5 | 0 | 0 | 0 | 0 | 112.1 | C228 C251 G253 K255 | C228-C244 WeakPolarHBondContact O-CA 3.27Å; C244-C251 VanDerWaalsContact SG-SG 3.61Å; C244-G253 PolarHBondContact N-O 3.1Å; C244-G253 VanDerWaalsContact N-O 3.09Å; C244-K255 PolarHBondContact O-N 3.46Å |
| 245 | K | 42.7 | Very low | 42.6 | Very low | 134 Ų | 134 | 37.3 Ų | 37.3 | 58% | 0.583 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -98.8 | 92.5 | 165.4 | -82.8 | -170.3 | 172.6 | -168.8 | 0 | 108.7 | C228 K229 K255 | C228-K245 PolarHBondContact O-N 2.96Å; K229-K245 CarbonylContact C-O 3.53Å; K245-K255 HydrophobicContact CG-CD 4.46Å |
| 246 | G | 44.1 | Very low | 42.7 | Very low | 26 Ų | 26 | 37.1 Ų | 37.1 | 27% | 0.268 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 158.8 | 172.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 247 | S | 38.8 | Very low | 42.6 | Very low | 99 Ų | 99 | 37.4 Ų | 37.4 | 69% | 0.692 | 27% | 0.273 | S | S | * | . | | | trans | -70 | 128.9 | 168.2 | 20.4 | 0 | 0 | 0 | 0 | 109.6 | G231 C232 | G231-S247 WeakPolarHBondContact CA-O 3.49Å; C232-S247 PolarHBondContact N-O 3.31Å |
| 248 | C | 40.2 | Very low | 42.8 | Very low | 4 Ų | 4 | 35.3 Ų | 35.3 | 3% | 0.027 | 25% | 0.25 | C | C | . | . | B | Isolated β-bridge | trans | -130.2 | 139 | 178.9 | -159.2 | 0 | 0 | 0 | 0 | 111.7 | C232 S250 C251 C258 S259 | C232-C248 HydrophobicContact CB-CB 4.41Å; C232-C248 WeakPolarHBondContact CB-SG 3.4Å; C232-C248 VanDerWaalsContact O-CA 3.23Å; C232-C248 WeakPolarHBondContact O-CA 3.33Å; C232-C248 PolarHBondContact O-SG 3.07Å; C232-C248 WeakPolarHBondContact SG-CB 3.22Å; C232-C248 CovalentContact SG-SG 2.05Å; C232-C248 PolarHBondContact SG-SG 3.25Å; C248-S250 PolarHBondContact SG-O 2.84Å; C248-C251 HydrophobicContact CB-CB 4.06Å; C248-C258 WeakPolarHBondContact O-CA 3.29Å; C248-S259 PolarHBondContact O-N 3.35Å |
| 249 | G | 37.4 | Very low | 42.9 | Very low | 27 Ų | 27 | 39 Ų | 39 | 28% | 0.278 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -77.8 | -32.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | C232 G233 S260 | C232-G249 PolarHBondContact O-N 3.46Å; C232-G249 VanDerWaalsContact O-N 3.1Å; G233-G249 WeakPolarHBondContact O-CA 3.21Å; G249-S260 CarbonylContact C-O 3.48Å; G249-S260 CarbonylContact O-C 3.53Å; G249-S260 VanDerWaalsContact O-CB 3.29Å; G249-S260 WeakPolarHBondContact O-CB 3.21Å; G249-S260 PolarHBondContact O-N 3.05Å; G249-S260 VanDerWaalsContact O-O 3.04Å |
| 250 | S | 45 | Very low | 43.2 | Very low | 35 Ų | 35 | 39.6 Ų | 39.6 | 25% | 0.245 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -151.2 | 113.3 | 176.6 | -72.9 | 0 | 0 | 0 | 0 | 109.3 | C235 C248 S260 | C235-S250 VanDerWaalsContact CB-O 3.29Å; C235-S250 WeakPolarHBondContact CB-O 3.44Å; C235-S250 PolarHBondContact N-O 3.46Å; C235-S250 VanDerWaalsContact N-O 3.11Å; C248-S250 PolarHBondContact SG-O 2.84Å; S250-S260 WeakPolarHBondContact CA-O 3.07Å |
| 251 | C | 41.5 | Very low | 43.5 | Very low | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.034 | 26% | 0.257 | C | S | . | . | | | trans | -145.1 | 155.5 | 178.7 | -143.6 | 0 | 0 | 0 | 0 | 114 | C244 C248 C254 C261 | C244-C251 VanDerWaalsContact SG-SG 3.61Å; C248-C251 HydrophobicContact CB-CB 4.06Å; C251-C254 WeakPolarHBondContact CB-SG 3.29Å; C251-C261 VanDerWaalsContact O-CA 3.29Å; C251-C261 WeakPolarHBondContact O-CA 3.32Å; C251-C261 WeakPolarHBondContact O-CB 3.27Å; C251-C261 PolarHBondContact O-SG 2.98Å |
| 252 | G | 46.2 | Very low | 43.7 | Very low | 7 Ų | 7 | 37.9 Ų | 37.9 | 7% | 0.072 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -94.8 | 17 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | C267 | G252-C267 PolarHBondContact O-SG 3.11Š|
| 253 | G | 46.2 | Very low | 43.7 | Very low | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | | | trans | 160.9 | 118.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G243 C244 | G243-G253 WeakPolarHBondContact CA-O 3.23Å; C244-G253 PolarHBondContact N-O 3.1Å; C244-G253 VanDerWaalsContact N-O 3.09Å |
| 254 | C | 42.5 | Very low | 43.6 | Very low | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.014 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -131 | 142.4 | -178.2 | -69.8 | 0 | 0 | 0 | 0 | 112.9 | C251 G256 C270 K271 | C251-C254 WeakPolarHBondContact CB-SG 3.29Å; C254-G256 VanDerWaalsContact C-N 3.31Å; C254-G256 WeakPolarHBondContact CB-O 3.5Å; C254-C270 WeakPolarHBondContact O-CA 3.15Å; C254-K271 PolarHBondContact O-N 3.48Å |
| 255 | K | 44.4 | Very low | 43.5 | Very low | 129 Ų | 129 | 39.4 Ų | 39.4 | 56% | 0.561 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -81.1 | -9.1 | 165.1 | -76.6 | -176.2 | 176.8 | 175.2 | 0 | 112.8 | C244 K245 | C244-K255 PolarHBondContact O-N 3.46Å; K245-K255 HydrophobicContact CG-CD 4.46Å |
| 256 | G | 46.2 | Very low | 43.5 | Very low | 23 Ų | 23 | 35.7 Ų | 35.7 | 24% | 0.237 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -122 | 173.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C254 | C254-G256 VanDerWaalsContact C-N 3.31Å; C254-G256 WeakPolarHBondContact CB-O 3.5Å |
| 257 | G | 40.7 | Very low | 43.6 | Very low | 41 Ų | 41 | 35.1 Ų | 35.1 | 42% | 0.423 | 26% | 0.264 | S | S | . | . | | | trans | -65.3 | 142.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | G273 | G257-G273 WeakPolarHBondContact CA-O 3.41Š|
| 258 | C | 46.4 | Very low | 44 | Very low | 9 Ų | 9 | 33 Ų | 33 | 6% | 0.061 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -116.7 | 139.6 | 174.1 | 65.8 | 0 | 0 | 0 | 0 | 111.1 | C248 C261 G273 C274 | C248-C258 WeakPolarHBondContact O-CA 3.29Å; C258-C261 WeakPolarHBondContact CB-SG 3.38Å; C258-C261 WeakPolarHBondContact SG-CB 2.92Å; C258-C261 CovalentContact SG-SG 2.09Å; C258-C261 PolarHBondContact SG-SG 3.3Å; C258-G273 PolarHBondContact N-O 3.18Å; C258-C274 WeakPolarHBondContact O-CA 3.29Å; C258-C274 PolarHBondContact SG-SG 3.2Å |
| 259 | S | 42.6 | Very low | 44.3 | Very low | 89 Ų | 89 | 33.8 Ų | 33.8 | 62% | 0.622 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -76.2 | -34.3 | 176.6 | -51.9 | 0 | 0 | 0 | 0 | 112.2 | C248 S275 | C248-S259 PolarHBondContact O-N 3.35Å; S259-S275 WeakPolarHBondContact O-CB 3.42Å |
| 260 | S | 44.6 | Very low | 44.7 | Very low | 47 Ų | 47 | 32.9 Ų | 32.9 | 33% | 0.329 | 26% | 0.256 | S | S | . | . | | | trans | -144.9 | 147.5 | 170.3 | -171.9 | 0 | 0 | 0 | 0 | 107.6 | G249 S250 | G249-S260 CarbonylContact C-O 3.48Å; G249-S260 CarbonylContact O-C 3.53Å; G249-S260 VanDerWaalsContact O-CB 3.29Å; G249-S260 WeakPolarHBondContact O-CB 3.21Å; G249-S260 PolarHBondContact O-N 3.05Å; G249-S260 VanDerWaalsContact O-O 3.04Å; S250-S260 WeakPolarHBondContact CA-O 3.07Å |
| 261 | C | 49.4 | Very low | 44.8 | Very low | 9 Ų | 9 | 38.5 Ų | 38.5 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -129.5 | 110.4 | 177.4 | -91.1 | 0 | 0 | 0 | 0 | 107.3 | C251 C258 S276 G278 | C251-C261 VanDerWaalsContact O-CA 3.29Å; C251-C261 WeakPolarHBondContact O-CA 3.32Å; C251-C261 WeakPolarHBondContact O-CB 3.27Å; C251-C261 PolarHBondContact O-SG 2.98Å; C258-C261 WeakPolarHBondContact CB-SG 3.38Å; C258-C261 WeakPolarHBondContact SG-CB 2.92Å; C258-C261 CovalentContact SG-SG 2.09Å; C258-C261 PolarHBondContact SG-SG 3.3Å; C261-S276 PolarHBondContact N-O 3.42Å; C261-G278 PolarHBondContact O-N 3.21Å |
| 262 | G | 46.2 | Very low | 45.1 | Very low | 35 Ų | 35 | 39.1 Ų | 39.1 | 36% | 0.361 | 28% | 0.283 | S | S | . | . | | | trans | -75.6 | 158 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C264 | G262-C264 PolarHBondContact O-N 2.96Š|
| 263 | G | 43.6 | Very low | 45.1 | Very low | 45 Ų | 45 | 40.6 Ų | 40.6 | 46% | 0.464 | 30% | 0.299 | S | S | . | . | | | trans | -56.3 | 135.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G279 | G263-G279 VanDerWaalsContact CA-O 3.27Å; G263-G279 WeakPolarHBondContact CA-O 3.34Å |
| 264 | C | 42.2 | Very low | 45.2 | Very low | 17 Ų | 17 | 41 Ų | 41 | 12% | 0.115 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -133.3 | 146.1 | -179.2 | 53.3 | 0 | 0 | 0 | 0 | 111.1 | G262 C267 C280 G281 | G262-C264 PolarHBondContact O-N 2.96Å; C264-C267 VanDerWaalsContact SG-CB 3.59Å; C264-C280 WeakPolarHBondContact O-CA 3.18Å; C264-G281 PolarHBondContact O-N 3.15Å |
| 265 | G | 41.6 | Very low | 45.4 | Very low | 45 Ų | 45 | 44.9 Ų | 44.9 | 46% | 0.464 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -69.1 | -34.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | S282 | G265-S282 PolarHBondContact O-N 3.28Š|
| 266 | S | 44.2 | Very low | 45.5 | Very low | 55 Ų | 55 | 41.2 Ų | 41.2 | 39% | 0.385 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -151.7 | 117 | 174.6 | -71 | 0 | 0 | 0 | 0 | 110.5 | S282 | S266-S282 WeakPolarHBondContact CA-O 3.19Š|
| 267 | C | 46.2 | Very low | 45.7 | Very low | 14 Ų | 14 | 41.2 Ų | 41.2 | 10% | 0.095 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -104 | 119.4 | 179.4 | -171 | 0 | 0 | 0 | 0 | 110.8 | G252 C264 G269 S282 G284 | G252-C267 PolarHBondContact O-SG 3.11Å; C264-C267 VanDerWaalsContact SG-CB 3.59Å; C267-G269 PolarHBondContact O-N 3.05Å; C267-G269 VanDerWaalsContact O-N 3.15Å; C267-S282 PolarHBondContact N-O 3.42Å; C267-G284 PolarHBondContact O-N 3.09Å |
| 268 | G | 46.2 | Very low | 46.1 | Very low | 55 Ų | 55 | 41 Ų | 41 | 57% | 0.567 | 31% | 0.312 | S | S | * | . | | | trans | -79.1 | 86.2 | 163 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 269 | G | 46.4 | Very low | 46.1 | Very low | 20 Ų | 20 | 42.3 Ų | 42.3 | 21% | 0.206 | 33% | 0.328 | C | S | . | . | | | trans | 30.2 | 120.3 | 165 | 0 | 0 | 0 | 0 | 0 | 120.4 | C267 G284 | C267-G269 PolarHBondContact O-N 3.05Å; C267-G269 VanDerWaalsContact O-N 3.15Å; G269-G284 WeakPolarHBondContact CA-O 3.4Å; G269-G284 PolarHBondContact N-O 3.42Å |
| 270 | C | 47.4 | Very low | 46.3 | Very low | 9 Ų | 9 | 38.7 Ų | 38.7 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | | | trans | -75.9 | 125.7 | 168.6 | -68.2 | 0 | 0 | 0 | 0 | 111.5 | C254 K287 | C254-C270 WeakPolarHBondContact O-CA 3.15Å; C270-K287 PolarHBondContact O-N 3.22Å |
| 271 | K | 46 | Very low | 46.2 | Very low | 152 Ų | 152 | 38.4 Ų | 38.4 | 66% | 0.661 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -85.7 | -11.6 | 173.1 | -77.7 | -166.7 | 175.9 | -169.7 | 0 | 113.8 | C254 | C254-K271 PolarHBondContact O-N 3.48Š|
| 272 | G | 49 | Very low | 46 | Very low | 18 Ų | 18 | 40.6 Ų | 40.6 | 19% | 0.186 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -116.7 | 160.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 273 | G | 44.4 | Very low | 46.1 | Very low | 39 Ų | 39 | 39.6 Ų | 39.6 | 40% | 0.402 | 31% | 0.31 | S | S | . | . | | | trans | -67.3 | 155.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G257 C258 G289 | G257-G273 WeakPolarHBondContact CA-O 3.41Å; C258-G273 PolarHBondContact N-O 3.18Å; G273-G289 WeakPolarHBondContact CA-O 3.28Å |
| 274 | C | 48.8 | Very low | 46.3 | Very low | 7 Ų | 7 | 39.9 Ų | 39.9 | 5% | 0.047 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 138.5 | 178.6 | -177.7 | 0 | 0 | 0 | 0 | 111.7 | C258 S276 G289 C290 G291 | C258-C274 WeakPolarHBondContact O-CA 3.29Å; C258-C274 PolarHBondContact SG-SG 3.2Å; C274-S276 VanDerWaalsContact SG-C 3.54Å; C274-S276 PolarHBondContact SG-N 3.39Å; C274-S276 VanDerWaalsContact SG-N 3.39Å; C274-S276 PolarHBondContact SG-O 3.21Å; C274-G289 PolarHBondContact N-O 2.84Å; C274-C290 WeakPolarHBondContact O-CA 3.33Å; C274-G291 PolarHBondContact O-N 2.89Å; C274-G291 VanDerWaalsContact O-N 3.09Å |
| 275 | S | 47.2 | Very low | 46.6 | Very low | 84 Ų | 84 | 40 Ų | 40 | 59% | 0.587 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | -32.1 | 177.2 | -47.2 | 0 | 0 | 0 | 0 | 113.2 | S259 S292 | S259-S275 WeakPolarHBondContact O-CB 3.42Å; S275-S292 PolarHBondContact O-N 2.09Å |
| 276 | S | 46.5 | Very low | 46.9 | Very low | 52 Ų | 52 | 38.9 Ų | 38.9 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 120.4 | 179.8 | -173.3 | 0 | 0 | 0 | 0 | 111.8 | C261 C274 | C261-S276 PolarHBondContact N-O 3.42Å; C274-S276 VanDerWaalsContact SG-C 3.54Å; C274-S276 PolarHBondContact SG-N 3.39Å; C274-S276 VanDerWaalsContact SG-N 3.39Å; C274-S276 PolarHBondContact SG-O 3.21Å |
| 277 | C | 51 | Low | 46.9 | Very low | 24 Ų | 24 | 45.2 Ų | 45.2 | 16% | 0.162 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 120.7 | 177.2 | -77.6 | 0 | 0 | 0 | 0 | 110.4 | S292 G294 | C277-S292 PolarHBondContact N-O 3.09Å; C277-G294 PolarHBondContact O-N 2.82Å |
| 278 | G | 48.7 | Very low | 47.1 | Very low | 35 Ų | 35 | 45.3 Ų | 45.3 | 36% | 0.361 | 33% | 0.325 | S | S | . | . | | | trans | -69.2 | 155.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | C261 | C261-G278 PolarHBondContact O-N 3.21Š|
| 279 | G | 46.1 | Very low | 47 | Very low | 37 Ų | 37 | 45.1 Ų | 45.1 | 38% | 0.381 | 32% | 0.323 | S | S | . | . | | | trans | -57.8 | 142.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | G263 G295 | G263-G279 VanDerWaalsContact CA-O 3.27Å; G263-G279 WeakPolarHBondContact CA-O 3.34Å; G279-G295 VanDerWaalsContact CA-O 3.28Å; G279-G295 WeakPolarHBondContact CA-O 3.42Å |
| 280 | C | 46.4 | Very low | 47.2 | Very low | 14 Ų | 14 | 45.1 Ų | 45.1 | 10% | 0.095 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -125.8 | 144.3 | 178.6 | 56.4 | 0 | 0 | 0 | 0 | 111.6 | C264 C283 C296 G297 | C264-C280 WeakPolarHBondContact O-CA 3.18Å; C280-C283 VanDerWaalsContact SG-CB 3.53Å; C280-C296 WeakPolarHBondContact O-CA 3.47Å; C280-C296 PolarHBondContact SG-SG 3.28Å; C280-G297 PolarHBondContact O-N 2.92Å |
| 281 | G | 42.3 | Very low | 47.2 | Very low | 40 Ų | 40 | 47.1 Ų | 47.1 | 41% | 0.412 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -72.4 | -37.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | C264 S298 | C264-G281 PolarHBondContact O-N 3.15Å; G281-S298 PolarHBondContact O-N 3.16Å |
| 282 | S | 46 | Very low | 47.3 | Very low | 56 Ų | 56 | 43.3 Ų | 43.3 | 39% | 0.392 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -149.4 | 123.3 | 174.8 | -70.4 | 0 | 0 | 0 | 0 | 110 | G265 S266 C267 | G265-S282 PolarHBondContact O-N 3.28Å; S266-S282 WeakPolarHBondContact CA-O 3.19Å; C267-S282 PolarHBondContact N-O 3.42Å |
| 283 | C | 48.5 | Very low | 47.4 | Very low | 14 Ų | 14 | 44.7 Ų | 44.7 | 10% | 0.095 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -121.4 | 120.1 | -176.8 | -157.3 | 0 | 0 | 0 | 0 | 111.5 | C280 G285 S298 G300 | C280-C283 VanDerWaalsContact SG-CB 3.53Å; C283-G285 VanDerWaalsContact C-N 3.27Å; C283-G285 PolarHBondContact O-N 3.05Å; C283-G285 VanDerWaalsContact O-N 3.09Å; C283-S298 PolarHBondContact N-O 3.38Å; C283-S298 VanDerWaalsContact N-O 3.16Å; C283-G300 PolarHBondContact O-N 3.14Å |
| 284 | G | 47.9 | Very low | 47.8 | Very low | 50 Ų | 50 | 44.2 Ų | 44.2 | 52% | 0.515 | 34% | 0.336 | S | S | . | . | | | trans | -80.8 | 71.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | C267 G269 | C267-G284 PolarHBondContact O-N 3.09Å; G269-G284 WeakPolarHBondContact CA-O 3.4Å; G269-G284 PolarHBondContact N-O 3.42Å |
| 285 | G | 47.5 | Very low | 47.7 | Very low | 20 Ų | 20 | 47.3 Ų | 47.3 | 21% | 0.206 | 37% | 0.369 | C | S | . | . | | | trans | 47.9 | 117.8 | 166 | 0 | 0 | 0 | 0 | 0 | 119.2 | C283 G301 | C283-G285 VanDerWaalsContact C-N 3.27Å; C283-G285 PolarHBondContact O-N 3.05Å; C283-G285 VanDerWaalsContact O-N 3.09Å; G285-G301 WeakPolarHBondContact CA-O 3.2Å |
| 286 | C | 47.6 | Very low | 47.7 | Very low | 21 Ų | 21 | 45.9 Ų | 45.9 | 14% | 0.142 | 36% | 0.358 | C | S | . | . | | | trans | -78.3 | 129.5 | 166.9 | -65.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 287 | K | 45.4 | Very low | 47.6 | Very low | 188 Ų | 188 | 46.3 Ų | 46.3 | 82% | 0.817 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -90.9 | -8.2 | 173 | -85.9 | -169.7 | 172.8 | -169.5 | 0 | 113.8 | C270 | C270-K287 PolarHBondContact O-N 3.22Š|
| 288 | G | 49 | Very low | 47.2 | Very low | 16 Ų | 16 | 48.9 Ų | 48.9 | 17% | 0.165 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -115.4 | 148.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 289 | G | 45.8 | Very low | 47.2 | Very low | 51 Ų | 51 | 50 Ų | 50 | 53% | 0.526 | 39% | 0.391 | S | S | . | . | | | trans | -59 | 143 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | G273 C274 | G273-G289 WeakPolarHBondContact CA-O 3.28Å; C274-G289 PolarHBondContact N-O 2.84Å |
| 290 | C | 49 | Very low | 47 | Very low | 21 Ų | 21 | 51.7 Ų | 51.7 | 14% | 0.142 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135.5 | 174.3 | -73.3 | 0 | 0 | 0 | 0 | 110 | C274 C293 | C274-C290 WeakPolarHBondContact O-CA 3.33Å; C290-C293 VanDerWaalsContact CB-SG 3.53Å |
| 291 | G | 47.5 | Very low | 47 | Very low | 51 Ų | 51 | 53.2 Ų | 53.2 | 53% | 0.526 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | -50.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | C274 | C274-G291 PolarHBondContact O-N 2.89Å; C274-G291 VanDerWaalsContact O-N 3.09Å |
| 292 | S | 49.6 | Very low | 47.1 | Very low | 72 Ų | 72 | 54.3 Ų | 54.3 | 50% | 0.503 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 115.4 | 177.2 | -62.4 | 0 | 0 | 0 | 0 | 110.3 | S275 C277 | S275-S292 PolarHBondContact O-N 2.09Å; C277-S292 PolarHBondContact N-O 3.09Å |
| 293 | C | 50.5 | Low | 47.1 | Very low | 46 Ų | 46 | 54 Ų | 54 | 31% | 0.311 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 118.1 | 177.8 | -73.3 | 0 | 0 | 0 | 0 | 110.3 | C290 C305 C307 | C290-C293 VanDerWaalsContact CB-SG 3.53Å; C293-C305 WeakPolarHBondContact CB-SG 3.19Å; C293-C305 WeakPolarHBondContact SG-CB 3.36Å; C293-C305 CovalentContact SG-SG 2.09Å; C293-C305 PolarHBondContact SG-SG 3.06Å; C293-C307 HydrophobicContact CB-CB 4.42Å |
| 294 | G | 51.7 | Low | 46.9 | Very low | 30 Ų | 30 | 58.6 Ų | 58.6 | 31% | 0.309 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 143.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | C277 C296 | C277-G294 PolarHBondContact O-N 2.82Å; G294-C296 PolarHBondContact O-N 3.09Å |
| 295 | G | 47.1 | Very low | 46.4 | Very low | 71 Ų | 71 | 57.8 Ų | 57.8 | 73% | 0.732 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -48.2 | 135.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G279 | G279-G295 VanDerWaalsContact CA-O 3.28Å; G279-G295 WeakPolarHBondContact CA-O 3.42Å |
| 296 | C | 47.6 | Very low | 46 | Very low | 55 Ų | 55 | 60.6 Ų | 60.6 | 37% | 0.372 | 48% | 0.48 | S | S | . | . | | | trans | -104.1 | 133.1 | 177.8 | -61.3 | 0 | 0 | 0 | 0 | 110.1 | C280 G294 C299 | C280-C296 WeakPolarHBondContact O-CA 3.47Å; C280-C296 PolarHBondContact SG-SG 3.28Å; G294-C296 PolarHBondContact O-N 3.09Å; C296-C299 WeakPolarHBondContact CB-SG 3.43Å; C296-C299 VanDerWaalsContact SG-SG 3.64Å |
| 297 | G | 44.1 | Very low | 45.5 | Very low | 60 Ų | 60 | 62 Ų | 62 | 62% | 0.619 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -76.1 | -24.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | C280 | C280-G297 PolarHBondContact O-N 2.92Š|
| 298 | S | 43.2 | Very low | 45.2 | Very low | 78 Ų | 78 | 59 Ų | 59 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -161.1 | 105.5 | 176.1 | -72.2 | 0 | 0 | 0 | 0 | 109.6 | G281 C283 | G281-S298 PolarHBondContact O-N 3.16Å; C283-S298 PolarHBondContact N-O 3.38Å; C283-S298 VanDerWaalsContact N-O 3.16Å |
| 299 | C | 47.6 | Very low | 44.5 | Very low | 59 Ų | 59 | 67.2 Ų | 67.2 | 40% | 0.399 | 53% | 0.525 | S | S | . | . | B | Isolated β-bridge | trans | -105 | 118.8 | -179.8 | -89 | 0 | 0 | 0 | 0 | 111.5 | C296 G301 | C296-C299 WeakPolarHBondContact CB-SG 3.43Å; C296-C299 VanDerWaalsContact SG-SG 3.64Å; C299-G301 PolarHBondContact O-N 3.12Å; C299-G301 VanDerWaalsContact O-N 3.12Å |
| 300 | G | 42.9 | Very low | 43.8 | Very low | 73 Ų | 73 | 69.8 Ų | 69.8 | 75% | 0.753 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -80.6 | 30.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | C283 | C283-G300 PolarHBondContact O-N 3.14Š|
| 301 | G | 47 | Very low | 43.1 | Very low | 46 Ų | 46 | 74.1 Ų | 74.1 | 47% | 0.474 | 57% | 0.566 | S | S | . | * | | | trans | 114.4 | 99.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | G285 C299 | G285-G301 WeakPolarHBondContact CA-O 3.2Å; C299-G301 PolarHBondContact O-N 3.12Å; C299-G301 VanDerWaalsContact O-N 3.12Å |
| 302 | C | 44.5 | Very low | 42.7 | Very low | 63 Ų | 63 | 77.9 Ų | 77.9 | 43% | 0.426 | 58% | 0.582 | S | S | . | * | | | trans | -94.4 | 112.1 | 166.6 | -68.5 | 0 | 0 | 0 | 0 | 108.7 | S304 | C302-S304 PolarHBondContact O-N 3.5Š|
| 303 | G | 45.8 | Very low | 42.1 | Very low | 50 Ų | 50 | 80.5 Ų | 80.5 | 52% | 0.515 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -71.9 | 102.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 304 | S | 43.3 | Very low | 41 | Very low | 110 Ų | 110 | 87.8 Ų | 87.8 | 77% | 0.769 | 63% | 0.626 | S | S | * | * | | | trans | 62.3 | 61 | 166.4 | -41.5 | 0 | 0 | 0 | 0 | 116 | C302 | C302-S304 PolarHBondContact O-N 3.5Š|
| 305 | C | 38.2 | Very low | 40 | Very low | 32 Ų | 32 | 92 Ų | 92 | 22% | 0.216 | 65% | 0.647 | C | S | . | * | B | Isolated β-bridge | trans | -86.4 | 115.8 | 157.7 | -162.3 | 0 | 0 | 0 | 0 | 108.1 | C293 C307 | C293-C305 WeakPolarHBondContact CB-SG 3.19Å; C293-C305 WeakPolarHBondContact SG-CB 3.36Å; C293-C305 CovalentContact SG-SG 2.09Å; C293-C305 PolarHBondContact SG-SG 3.06Å; C305-C307 PolarHBondContact O-N 3.17Å; C305-C307 VanDerWaalsContact SG-SG 3.7Å |
| 306 | G | 38 | Very low | 39.1 | Very low | 80 Ų | 80 | 94.4 Ų | 94.4 | 83% | 0.825 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -72.6 | 33.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 307 | C | 37.6 | Very low | 38.3 | Very low | 50 Ų | 50 | 97.5 Ų | 97.5 | 34% | 0.338 | 67% | 0.672 | S | S | . | * | | | trans | -126.4 | 27.1 | -174.4 | -45.8 | 0 | 0 | 0 | 0 | 113.2 | C293 C305 Q309 | C293-C307 HydrophobicContact CB-CB 4.42Å; C305-C307 PolarHBondContact O-N 3.17Å; C305-C307 VanDerWaalsContact SG-SG 3.7Å; C307-Q309 PolarHBondContact O-N 3.47Å |
| 308 | C | 39.4 | Very low | 38 | Very low | 124 Ų | 124 | 101.3 Ų | 101.3 | 84% | 0.838 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 54.5 | 170.7 | -71.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 309 | Q | 34.7 | Very low | 37.6 | Very low | 189 Ų | 189 | 106 Ų | 106 | 88% | 0.883 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.4 | 2.9 | 169 | -91.8 | -148.8 | -41.4 | 0 | 0 | 116 | C307 | C307-Q309 PolarHBondContact O-N 3.47Š|
| 310 | S | 30.3 | Very low | 36.6 | Very low | 105 Ų | 105 | 108.4 Ų | 108.4 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -120.6 | 85.4 | 175.9 | -53.6 | 0 | 0 | 0 | 0 | 111.5 | C312 | S310-C312 PolarHBondContact O-N 2.09Š|
| 311 | S | 35.2 | Very low | 36.1 | Very low | 113 Ų | 113 | 110.3 Ų | 110.3 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 36 | 79.2 | 139.8 | 51.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 312 | C | 38.1 | Very low | 35.4 | Very low | 129 Ų | 129 | 114.1 Ų | 114.1 | 87% | 0.872 | 74% | 0.739 | S | S | * | * | | | trans | -177.7 | 22.3 | 144.1 | -112.3 | 0 | 0 | 0 | 0 | 116.7 | S310 K314 | S310-C312 PolarHBondContact O-N 2.09Å; C312-K314 PolarHBondContact O-N 3.29Å |
| 313 | C | 37 | Very low | 34.8 | Very low | 127 Ų | 127 | 117.7 Ų | 117.7 | 86% | 0.858 | 76% | 0.763 | S | S | * | * | | | trans | -85.7 | 93.3 | 174.2 | -71.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 314 | K | 27.1 | Very low | 34 | Very low | 200 Ų | 200 | 124.3 Ų | 124.3 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | | | trans | -72.4 | 119.9 | 153.4 | -153.7 | 166.4 | -175.2 | 170.4 | 0 | 105.9 | C312 C316 | C312-K314 PolarHBondContact O-N 3.29Å; K314-C316 PolarHBondContact O-N 3.21Å |
| 315 | P | 31.8 | Very low | 33.5 | Very low | 118 Ų | 118 | 124.6 Ų | 124.6 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | | | trans | -79.6 | 111.9 | -163.2 | 30.8 | -31.6 | 0 | 0 | 0 | 109.8 | | |
| 316 | C | 28.2 | Very low | 32.9 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -110.6 | 119.2 | 156.1 | -83 | 0 | 0 | 0 | 0 | 108.4 | K314 | K314-C316 PolarHBondContact O-N 3.21Š|
| 317 | C | 29.9 | Very low | 32.5 | Very low | 120 Ų | 120 | 130.7 Ų | 130.7 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | | | trans | 83.9 | 61.1 | 159.7 | -52.9 | 0 | 0 | 0 | 0 | 118 | Q319 | C317-Q319 PolarHBondContact O-N 3.34Š|
| 318 | C | 37.3 | Very low | 32.4 | Very low | 140 Ų | 140 | 134.8 Ų | 134.8 | 95% | 0.946 | 83% | 0.832 | S | S | * | * | | | trans | -78.1 | 79.9 | 139.3 | -77.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 319 | Q | 34.9 | Very low | 32.3 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 83% | 0.827 | 83% | 0.833 | S | S | * | * | | | trans | -145.1 | 95.9 | 160.6 | -126.5 | -164.8 | -6.7 | 0 | 0 | 108.6 | C317 | C317-Q319 PolarHBondContact O-N 3.34Š|
| 320 | S | 27 | Very low | 32.1 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 76% | 0.762 | 83% | 0.826 | S | S | * | * | S | Bend | | 166.2 | 103.6 | 129.7 | -71.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 321 | S | 32.4 | Very low | 32.4 | Very low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 83% | 0.829 | S | S | * | * | | | trans | 72.6 | 111.8 | 137.3 | -42.5 | 0 | 0 | 0 | 0 | 119.5 | | |
| 322 | C | 31.7 | Very low | 32.3 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | | | trans | 85.5 | 64.8 | 150.7 | -55.9 | 0 | 0 | 0 | 0 | 118.6 | K324 | C322-K324 PolarHBondContact O-N 2.9Å; C322-K324 VanDerWaalsContact O-N 3.14Å |
| 323 | C | 32.3 | Very low | 32.2 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 93% | 0.932 | 83% | 0.833 | S | S | * | * | | | trans | -68.6 | 101.3 | 152.3 | -70.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 324 | K | 28.6 | Very low | 32.2 | Very low | 188 Ų | 188 | 138.2 Ų | 138.2 | 82% | 0.817 | 84% | 0.836 | S | S | * | * | | | trans | -98.6 | 109.9 | 156.7 | -158.8 | 170.2 | -173.6 | 173.3 | 0 | 105.8 | C322 C326 | C322-K324 PolarHBondContact O-N 2.9Å; C322-K324 VanDerWaalsContact O-N 3.14Å; K324-C326 PolarHBondContact O-N 2.9Å |
| 325 | P | 34.3 | Very low | 32.4 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | | | trans | -78.2 | 98.6 | -179.3 | 29.7 | -29 | 0 | 0 | 0 | 108.3 | C327 | P325-C327 PolarHBondContact O-N 3.42Š|
| 326 | C | 25.3 | Very low | 32.8 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 82% | 0.824 | 83% | 0.832 | S | S | * | * | | | trans | -75.7 | 110 | 157 | -83.6 | 0 | 0 | 0 | 0 | 107.1 | K324 C328 | K324-C326 PolarHBondContact O-N 2.9Å; C326-C328 PolarHBondContact O-N 2.87Å |
| 327 | C | 29.1 | Very low | 33.3 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 80% | 0.797 | 83% | 0.834 | S | S | * | * | | | trans | -34.8 | 128.1 | 177.5 | -57 | 0 | 0 | 0 | 0 | 113.6 | P325 Q329 | P325-C327 PolarHBondContact O-N 3.42Å; C327-Q329 VanDerWaalsContact C-N 3.3Å; C327-Q329 PolarHBondContact O-N 3.19Å |
| 328 | C | 35.1 | Very low | 33.4 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 93% | 0.926 | 84% | 0.839 | S | S | * | * | | | trans | -61.5 | 88.7 | 164.1 | -65.4 | 0 | 0 | 0 | 0 | 109.8 | C326 | C326-C328 PolarHBondContact O-N 2.87Š|
| 329 | Q | 38.6 | Very low | 33.1 | Very low | 183 Ų | 183 | 137.1 Ų | 137.1 | 86% | 0.855 | 83% | 0.834 | S | S | * | * | | | trans | -78 | 109.9 | 152.4 | -106.8 | -162.8 | -26.1 | 0 | 0 | 107.2 | C327 | C327-Q329 VanDerWaalsContact C-N 3.3Å; C327-Q329 PolarHBondContact O-N 3.19Å |
| 330 | S | 29.1 | Very low | 33.2 | Very low | 105 Ų | 105 | 134.5 Ų | 134.5 | 73% | 0.734 | 83% | 0.832 | S | S | * | * | | | trans | 177.2 | 89.3 | 136.8 | -74.9 | 0 | 0 | 0 | 0 | 109.9 | C332 | S330-C332 PolarHBondContact O-N 3.39Š|
| 331 | S | 36.7 | Very low | 33.1 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 80% | 0.797 | 83% | 0.832 | S | S | * | * | | | trans | 37 | 77.8 | 134 | 54.5 | 0 | 0 | 0 | 0 | 118.8 | | |
| 332 | C | 33.6 | Very low | 33.1 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | | | trans | -160.6 | 31.7 | 157.8 | -111.9 | 0 | 0 | 0 | 0 | 116.2 | S330 | S330-C332 PolarHBondContact O-N 3.39Š|
| 333 | C | 36.1 | Very low | 33 | Very low | 133 Ų | 133 | 135 Ų | 135 | 90% | 0.899 | 83% | 0.833 | S | S | * | * | | | trans | -135.6 | 65.2 | 162.6 | -68.1 | 0 | 0 | 0 | 0 | 110.7 | S335 | C333-S335 PolarHBondContact O-N 3.39Š|
| 334 | Q | 36.9 | Very low | 32.9 | Very low | 197 Ų | 197 | 137 Ų | 137 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | | | trans | -79.2 | 100.5 | 150.5 | -99.9 | -156 | -31.2 | 0 | 0 | 107.2 | | |
| 335 | S | 31.5 | Very low | 33.1 | Very low | 109 Ų | 109 | 133 Ų | 133 | 76% | 0.762 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -177.9 | 102.4 | 133.8 | -78.4 | 0 | 0 | 0 | 0 | 108.3 | C333 | C333-S335 PolarHBondContact O-N 3.39Š|
| 336 | S | 39.6 | Very low | 33.2 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | S | Bend | trans | 59.5 | 120.2 | 152.2 | -49.9 | 0 | 0 | 0 | 0 | 118.9 | | |
| 337 | C | 38.5 | Very low | 33.7 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | | | trans | 87.8 | 74 | 164.6 | -57.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 338 | C | 32.8 | Very low | 33.8 | Very low | 136 Ų | 136 | 133.5 Ų | 133.5 | 92% | 0.919 | 83% | 0.831 | S | S | * | * | | | trans | -143.9 | 87.9 | 138.9 | -92 | 0 | 0 | 0 | 0 | 108.9 | | |
| 339 | K | 31 | Very low | 33.5 | Very low | 191 Ų | 191 | 136.3 Ų | 136.3 | 83% | 0.83 | 83% | 0.827 | S | S | * | * | | | trans | -70.5 | 126.2 | 169.5 | -165 | 172.4 | -175.5 | 174.6 | 0 | 107.8 | C341 | K339-C341 PolarHBondContact O-N 3.34Š|
| 340 | P | 37.1 | Very low | 33.2 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 80% | 0.799 | 83% | 0.826 | S | S | * | * | | | trans | -84.2 | 106.8 | 176.7 | 32.3 | -27.3 | 0 | 0 | 0 | 108.2 | | |
| 341 | C | 26 | Very low | 33.1 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 75% | 0.75 | 83% | 0.828 | S | S | * | * | | | trans | -130.7 | 118.6 | 160.9 | -83.5 | 0 | 0 | 0 | 0 | 108.4 | K339 | K339-C341 PolarHBondContact O-N 3.34Š|
| 342 | C | 32 | Very low | 32.7 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 87% | 0.872 | 83% | 0.828 | S | S | * | * | | | trans | -37.9 | 137.5 | 166.9 | -56.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 343 | C | 29.8 | Very low | 32.5 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 81% | 0.811 | 83% | 0.83 | S | S | * | * | | | trans | -161.3 | 104.5 | 144.2 | -90.6 | 0 | 0 | 0 | 0 | 106.1 | | |
| 344 | Q | 28.8 | Very low | 32.3 | Very low | 180 Ų | 180 | 138 Ų | 138 | 84% | 0.841 | 83% | 0.832 | S | S | * | * | | | | 54.8 | 114.7 | 95.3 | -97.2 | -161.1 | -24.4 | 0 | 0 | 113.5 | | |
| 345 | S | 33.2 | Very low | 32 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 72% | 0.72 | 82% | 0.824 | S | S | * | * | | | trans | 30.9 | 127.5 | 134.9 | -49.1 | 0 | 0 | 0 | 0 | 118.6 | | |
| 346 | S | 36.3 | Very low | 32.2 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | | | trans | 105.1 | 119.6 | 149.7 | -38.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 347 | C | 36.4 | Very low | 32 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | | | trans | 60.2 | 107.1 | 147.5 | -61.9 | 0 | 0 | 0 | 0 | 118.3 | | |
| 348 | C | 30.1 | Very low | 31.7 | Very low | 136 Ų | 136 | 135 Ų | 135 | 92% | 0.919 | 83% | 0.831 | S | S | * | * | | | trans | -151.1 | 96.1 | 135.2 | -99.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 349 | K | 29.7 | Very low | 31.6 | Very low | 195 Ų | 195 | 132.9 Ų | 132.9 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -62 | 132.5 | 161.8 | -159.6 | 171.8 | -174.7 | 174.3 | 0 | 107.4 | C351 | K349-C351 PolarHBondContact O-N 3.22Š|
| 350 | P | 33.2 | Very low | 32.3 | Very low | 128 Ų | 128 | 129.8 Ų | 129.8 | 83% | 0.831 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 117.8 | 177.3 | 27.2 | -30.1 | 0 | 0 | 0 | 109.3 | | |
| 351 | C | 26.2 | Very low | 32.2 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 147.5 | 169.1 | -93.2 | 0 | 0 | 0 | 0 | 110.8 | K349 | K349-C351 PolarHBondContact O-N 3.22Š|
| 352 | C | 27.9 | Very low | 32.5 | Very low | 119 Ų | 119 | 130.8 Ų | 130.8 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | | | trans | 85 | 99.8 | 156.3 | -59.5 | 0 | 0 | 0 | 0 | 117.6 | | |
| 353 | C | 30.2 | Very low | 32.4 | Very low | 131 Ų | 131 | 130 Ų | 130 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | | | | -164.4 | 84.9 | 125.9 | -99.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 354 | Q | 30.5 | Very low | 32.5 | Very low | 203 Ų | 203 | 132.8 Ų | 132.8 | 95% | 0.949 | 82% | 0.822 | S | S | * | * | | | trans | -159.8 | 112 | 136.8 | -120.5 | -171.6 | -22.9 | 0 | 0 | 110.7 | | |
| 355 | S | 31.2 | Very low | 32.4 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | | | trans | -77.1 | 150.8 | 177.4 | -51.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 356 | S | 36.9 | Very low | 32.4 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 76% | 0.762 | 82% | 0.821 | S | S | * | * | | | trans | 74.1 | 105.3 | 154.3 | 25.6 | 0 | 0 | 0 | 0 | 118.4 | | |
| 357 | C | 33.9 | Very low | 32.6 | Very low | 130 Ų | 130 | 139 Ų | 139 | 88% | 0.878 | 84% | 0.841 | S | S | * | * | | | | 171.5 | 143.4 | 104.2 | -80.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 358 | C | 33.5 | Very low | 32.4 | Very low | 135 Ų | 135 | 140 Ų | 140 | 91% | 0.912 | 84% | 0.843 | S | S | * | * | | | trans | -60.3 | 141.7 | -165 | -54.2 | 0 | 0 | 0 | 0 | 117.5 | | |
| 359 | A | 30.6 | Very low | 32.5 | Very low | 92 Ų | 92 | 140.2 Ų | 140.2 | 76% | 0.76 | 84% | 0.839 | S | S | * | * | | | | -179.7 | 132.8 | 124.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 360 | P | 44.5 | Very low | 32.7 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | | | trans | -101.7 | 119.7 | 167.3 | 33.8 | -22.3 | 0 | 0 | 0 | 110.1 | | |
| 361 | V | 34.8 | Very low | 32.6 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 87% | 0.873 | 84% | 0.839 | S | S | * | * | | | trans | -144.9 | 127.2 | 159.5 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 362 | C | 32.4 | Very low | 33 | Very low | 111 Ų | 111 | 139 Ų | 139 | 75% | 0.75 | 84% | 0.842 | S | S | * | * | | | trans | -68.3 | 167.1 | 178.5 | -64.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 363 | C | 31.5 | Very low | 33.4 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 76% | 0.764 | 84% | 0.844 | S | S | * | * | | | trans | 84.9 | 111 | 149 | -66.2 | 0 | 0 | 0 | 0 | 120 | | |
| 364 | Q | 30.8 | Very low | 33.6 | Very low | 178 Ų | 178 | 141 Ų | 141 | 83% | 0.832 | 84% | 0.842 | S | S | * | * | | | | 53.4 | 121.7 | 127.1 | -60.8 | -160.2 | 12.7 | 0 | 0 | 121.4 | | |
| 365 | C | 27.4 | Very low | 33.8 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 74% | 0.743 | 83% | 0.833 | S | S | * | * | | | | 169.2 | 117.4 | 105.8 | -98 | 0 | 0 | 0 | 0 | 108.4 | | |
| 366 | K | 31.8 | Very low | 34.1 | Very low | 183 Ų | 183 | 138.6 Ų | 138.6 | 80% | 0.796 | 84% | 0.84 | S | S | * | * | | | | 81 | 114 | 85.7 | -128.4 | -176.4 | -172.1 | 170.7 | 0 | 112.9 | | |
| 367 | I | 40.7 | Very low | 33.8 | Very low | 232 Ų | 232 | 141.3 Ų | 141.3 | 100% | 1.19 | 85% | 0.847 | S | S | * | * | | | trans | 57.7 | 0 | 157.6 | -56.5 | 162.8 | 0 | 0 | 0 | 116.4 | | |