| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.2 | Very low | 35.3 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 62% | 0.616 | 72% | 0.717 | S | S | * | * | 0 | 60.3 | 0 | -61.7 | 179.7 | -178.5 | 0 | 0 | 110.3 | I421 P422 A423 | M1-I421 CarbonylContact C-O 3.46Å; M1-I421 VanDerWaalsContact C-O 3.26Å; M1-P422 WeakPolarHBondContact CA-O 3.38Å; M1-P422 WeakPolarHBondContact CB-O 3.44Å; M1-P422 PolarHBondContact N-O 3.17Å; M1-P422 WeakPolarHBondContact O-CD 3.06Å; M1-A423 HydrophobicContact CB-CB 3.96Å; M1-A423 HydrophobicContact CG-CB 4.39Å; M1-A423 WeakPolarHBondContact CG-O 3.47Å; M1-A423 HydrophobicContact SD-CB 3.95Å | |||
| 2 | D | 31.7 | Very low | 35.1 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 52% | 0.519 | 73% | 0.725 | S | S | . | * | cis | -165 | 124.1 | 21.4 | -81.4 | -49.2 | 0 | 0 | 0 | 114.1 | I420 I421 | D2-I420 WeakPolarHBondContact O-CG2 3.22Å; D2-I421 PolarHBondContact N-O 2.9Å | ||
| 3 | T | 32.8 | Very low | 35.1 | Very low | 91 Ų | 91 | 136.2 Ų | 136.2 | 56% | 0.558 | 74% | 0.743 | S | S | * | * | 34.1 | 137.4 | 114 | 72.8 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 4 | N | 33.4 | Very low | 35.5 | Very low | 152 Ų | 152 | 131.8 Ų | 131.8 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | trans | 85.3 | 127.1 | 133.3 | -68.4 | -6.7 | 0 | 0 | 0 | 122.1 | ||||
| 5 | S | 36.5 | Very low | 35.4 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | 92.2 | 86.8 | 126.1 | -172.2 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 6 | L | 36.2 | Very low | 35.5 | Very low | 164 Ų | 164 | 129.8 Ų | 129.8 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | 66.3 | 158.7 | 111 | -72.8 | 165.3 | 0 | 0 | 0 | 119.2 | |||||
| 7 | P | 43.2 | Very low | 35.5 | Very low | 110 Ų | 110 | 130 Ų | 130 | 71% | 0.714 | 76% | 0.756 | S | S | * | * | -123.6 | -172.5 | -129.1 | 45.2 | -36.1 | 0 | 0 | 0 | 115.2 | |||||
| 8 | S | 36.9 | Very low | 35.6 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | -152.3 | 113.4 | 164 | -66 | 0 | 0 | 0 | 0 | 113 | ||||
| 9 | D | 33.9 | Very low | 35.8 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | 61.5 | 132.7 | 122.6 | -81.2 | 13.3 | 0 | 0 | 0 | 126.3 | |||||
| 10 | I | 32.3 | Very low | 35.5 | Very low | 128 Ų | 128 | 127.1 Ų | 127.1 | 66% | 0.656 | 74% | 0.744 | S | S | * | * | trans | 78.7 | 113.4 | 135.8 | -65.6 | 165.7 | 0 | 0 | 0 | 120.2 | ||||
| 11 | R | 35 | Very low | 35.4 | Very low | 237 Ų | 237 | 128 Ų | 128 | 89% | 0.894 | 74% | 0.741 | S | S | * | * | 166 | 163.9 | 100.7 | -125.3 | 151.7 | -144.8 | -161 | 4.9 | 114.9 | |||||
| 12 | L | 32.6 | Very low | 35.3 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 82% | 0.817 | 75% | 0.748 | S | S | * | * | trans | -104 | 162.1 | 172.6 | -76.3 | 74.9 | 0 | 0 | 0 | 112 | ||||
| 13 | T | 35.7 | Very low | 35.3 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 95% | 0.951 | 75% | 0.752 | S | S | * | * | trans | 179.6 | 155.7 | 131.7 | 20 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 14 | G | 40.1 | Very low | 35.4 | Very low | 74 Ų | 74 | 133.4 Ų | 133.4 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | trans | 88.4 | 113.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 15 | A | 34.6 | Very low | 35.4 | Very low | 99 Ų | 99 | 129.5 Ų | 129.5 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | cis | 92.4 | 85.1 | 0.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 16 | V | 37.5 | Very low | 35.3 | Very low | 132 Ų | 132 | 128 Ų | 128 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | trans | -151.1 | 111.6 | 163.8 | -179.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 17 | V | 35.4 | Very low | 35 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | 61.9 | 126.6 | 85.3 | 175.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 18 | S | 36.7 | Very low | 34.4 | Very low | 98 Ų | 98 | 129 Ų | 129 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | cis | -150.9 | -165.3 | -0.1 | -131.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 19 | T | 39.5 | Very low | 34.1 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | cis | -154.2 | 142.8 | 1.2 | 10.5 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 20 | N | 29.8 | Very low | 33.9 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 62% | 0.615 | 76% | 0.756 | S | S | * | * | 68.2 | 115.7 | 74.7 | -78.4 | 39.9 | 0 | 0 | 0 | 117.8 | |||||
| 21 | E | 34 | Very low | 33.8 | Very low | 147 Ų | 147 | 131.8 Ų | 131.8 | 69% | 0.687 | 76% | 0.757 | S | S | * | * | 79.3 | 149.5 | 126.6 | -61.5 | 174.4 | 141 | 0 | 0 | 118.9 | |||||
| 22 | F | 32.8 | Very low | 33.4 | Very low | 171 Ų | 171 | 127.2 Ų | 127.2 | 75% | 0.75 | 75% | 0.749 | S | S | * | * | cis | -148.2 | -174.7 | 8.1 | -139.8 | -148.8 | 0 | 0 | 0 | 113.6 | ||||
| 23 | T | 32.5 | Very low | 33.2 | Very low | 101 Ų | 101 | 125.8 Ų | 125.8 | 62% | 0.62 | 74% | 0.742 | S | S | * | * | trans | -49.5 | -176.4 | 176.5 | 60.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 24 | D | 34.2 | Very low | 32.8 | Very low | 153 Ų | 153 | 127.5 Ų | 127.5 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | cis | -162.4 | 166.1 | 18.6 | -158.8 | 6.1 | 0 | 0 | 0 | 113.6 | ||||
| 25 | G | 34.8 | Very low | 32.4 | Very low | 70 Ų | 70 | 127.3 Ų | 127.3 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | trans | 70.6 | 155.6 | 153.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 26 | G | 33.9 | Very low | 32.3 | Very low | 72 Ų | 72 | 128.7 Ų | 128.7 | 74% | 0.742 | 73% | 0.729 | S | S | * | * | cis | -158.9 | 116.8 | -6.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 27 | Q | 30.6 | Very low | 32 | Very low | 182 Ų | 182 | 127.8 Ų | 127.8 | 85% | 0.85 | 72% | 0.724 | S | S | * | * | 28.4 | 125.4 | 129.2 | -77.2 | -166.6 | 7 | 0 | 0 | 121.4 | |||||
| 28 | V | 28.6 | Very low | 31.8 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 67% | 0.673 | 72% | 0.72 | S | S | * | * | trans | 65.2 | 126.6 | 141.4 | -163.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 29 | I | 31.5 | Very low | 31.6 | Very low | 139 Ų | 139 | 128 Ų | 128 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | -174.9 | 118.3 | 92.7 | -81.1 | 169.4 | 0 | 0 | 0 | 103.3 | |||||
| 30 | K | 28.9 | Very low | 31.1 | Very low | 174 Ų | 174 | 127.4 Ų | 127.4 | 76% | 0.757 | 72% | 0.721 | S | S | * | * | 50.7 | 155.9 | 99.2 | -57.3 | 180 | 179.5 | 176.7 | 0 | 115.9 | |||||
| 31 | N | 31 | Very low | 31.4 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 69% | 0.69 | 73% | 0.727 | S | S | * | * | trans | 78.1 | 123.6 | 176.4 | -51.5 | -10.5 | 0 | 0 | 0 | 112.9 | ||||
| 32 | I | 27 | Very low | 31 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | cis | 76.4 | 140 | 31.1 | -45.1 | 157.9 | 0 | 0 | 0 | 111.7 | ||||
| 33 | N | 27.7 | Very low | 31.1 | Very low | 126 Ų | 126 | 123.7 Ų | 123.7 | 67% | 0.674 | 73% | 0.728 | S | S | * | * | trans | 79.2 | 122.9 | -178.2 | -57.3 | -22.8 | 0 | 0 | 0 | 113.4 | ||||
| 34 | F | 27.6 | Very low | 30.8 | Very low | 191 Ų | 191 | 125.5 Ų | 125.5 | 84% | 0.838 | 73% | 0.733 | S | S | * | * | 78.6 | 152.9 | 70.5 | -65.6 | -56.2 | 0 | 0 | 0 | 113.1 | |||||
| 35 | G | 32 | Very low | 30.7 | Very low | 71 Ų | 71 | 127.2 Ų | 127.2 | 73% | 0.732 | 73% | 0.733 | S | S | * | * | trans | 93.9 | 72.6 | -164.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 36 | D | 31.6 | Very low | 30.3 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 68% | 0.684 | 73% | 0.726 | S | S | * | * | cis | 62.8 | 139.3 | 27.3 | -161.3 | 14.1 | 0 | 0 | 0 | 114 | ||||
| 37 | T | 31.4 | Very low | 30.1 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 69% | 0.693 | 72% | 0.724 | S | S | * | * | trans | 58.6 | 167.5 | -177.1 | 63.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 38 | V | 31.8 | Very low | 30 | Very low | 121 Ų | 121 | 129.9 Ų | 129.9 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | cis | -132.9 | 122.7 | 5.3 | -122.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 39 | V | 31.7 | Very low | 30 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 70% | 0.703 | 72% | 0.723 | S | S | * | * | 43.4 | 117.6 | 115.7 | 180 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 40 | S | 30.2 | Very low | 30.2 | Very low | 105 Ų | 105 | 130 Ų | 130 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | -178.4 | 144.9 | 119.8 | -81.8 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 41 | I | 36.1 | Very low | 30.4 | Very low | 143 Ų | 143 | 127 Ų | 127 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | cis | -152.2 | 157.2 | -12.1 | -121.2 | 163.7 | 0 | 0 | 0 | 108.5 | ||||
| 42 | C | 25.3 | Very low | 30.8 | Very low | 104 Ų | 104 | 125 Ų | 125 | 70% | 0.703 | 71% | 0.712 | S | S | * | * | trans | -75.5 | 132 | 174.6 | -66.7 | 0 | 0 | 0 | 0 | 112.6 | I44 | C42-I44 HydrophobicContact CB-CD1 4.21Å; C42-I44 HydrophobicContact CB-CG1 4.46Å | ||
| 43 | S | 34.8 | Very low | 31.2 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | trans | -157.6 | 114.2 | 152.2 | -73 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 44 | I | 25.4 | Very low | 31.3 | Very low | 139 Ų | 139 | 125.8 Ų | 125.8 | 71% | 0.713 | 72% | 0.716 | S | S | * | * | cis | 60.3 | 71.5 | 32.1 | -42.5 | -177.7 | 0 | 0 | 0 | 111.9 | C42 | C42-I44 HydrophobicContact CB-CD1 4.21Å; C42-I44 HydrophobicContact CB-CG1 4.46Å | ||
| 45 | K | 33.8 | Very low | 31.6 | Very low | 189 Ų | 189 | 124.7 Ų | 124.7 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | trans | -171.3 | 117.3 | 145.5 | -98.1 | 160 | -176.6 | -173.2 | 0 | 104.2 | ||||
| 46 | T | 26.2 | Very low | 31.9 | Very low | 95 Ų | 95 | 126.8 Ų | 126.8 | 58% | 0.583 | 71% | 0.705 | S | S | * | * | cis | 58 | 132.9 | 35.9 | 84.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 47 | E | 28.3 | Very low | 32.1 | Very low | 151 Ų | 151 | 126.4 Ų | 126.4 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | trans | 64 | 136.4 | -175.4 | -60 | 112.5 | -95.1 | 0 | 0 | 114.9 | ||||
| 48 | D | 28.3 | Very low | 32.1 | Very low | 134 Ų | 134 | 126.9 Ų | 126.9 | 72% | 0.717 | 71% | 0.706 | S | S | * | * | cis | -164.8 | 170 | -6.7 | -119.1 | -12.7 | 0 | 0 | 0 | 112.4 | ||||
| 49 | E | 30.5 | Very low | 32.1 | Very low | 166 Ų | 166 | 125.7 Ų | 125.7 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | trans | 62.7 | 144.9 | 152.7 | -70.4 | -68.8 | 88 | 0 | 0 | 119.2 | ||||
| 50 | S | 34 | Very low | 31.9 | Very low | 87 Ų | 87 | 125.9 Ų | 125.9 | 61% | 0.608 | 71% | 0.707 | S | S | * | * | cis | -161.3 | 151.1 | -4.1 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 51 | S | 34.3 | Very low | 31.9 | Very low | 110 Ų | 110 | 125.3 Ų | 125.3 | 77% | 0.769 | 71% | 0.709 | S | S | * | * | trans | 65.4 | 163.9 | 140.3 | -144.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 52 | P | 39.7 | Very low | 31.6 | Very low | 86 Ų | 86 | 125.1 Ų | 125.1 | 56% | 0.558 | 71% | 0.709 | S | S | * | * | -120.4 | 179.5 | -62.3 | 38.4 | -26.4 | 0 | 0 | 0 | 110.9 | |||||
| 53 | F | 34.6 | Very low | 32.1 | Very low | 187 Ų | 187 | 126 Ų | 126 | 82% | 0.82 | 71% | 0.711 | S | S | * | * | cis | -125.6 | 164.3 | 2.3 | -69 | -90.8 | 0 | 0 | 0 | 108.7 | ||||
| 54 | C | 30.3 | Very low | 31.8 | Very low | 96 Ų | 96 | 124.9 Ų | 124.9 | 65% | 0.649 | 70% | 0.704 | S | S | * | * | cis | 78.3 | 133.1 | 30.2 | -64.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 55 | K | 34.3 | Very low | 32.4 | Very low | 169 Ų | 169 | 123.1 Ų | 123.1 | 74% | 0.735 | 70% | 0.702 | S | S | * | * | cis | -167.2 | 168.8 | -5.9 | -125 | 178.1 | -179.8 | 176.7 | 0 | 114.1 | ||||
| 56 | D | 37 | Very low | 32.4 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 61% | 0.61 | 70% | 0.704 | S | S | * | * | trans | 81.3 | 144.4 | 141.8 | -68.7 | -7.5 | 0 | 0 | 0 | 121 | ||||
| 57 | N | 35.5 | Very low | 32.8 | Very low | 120 Ų | 120 | 124.1 Ų | 124.1 | 64% | 0.642 | 71% | 0.709 | S | S | * | * | cis | -157.8 | 141.3 | -10.5 | -115.3 | -23.4 | 0 | 0 | 0 | 111.5 | ||||
| 58 | V | 32.3 | Very low | 32.9 | Very low | 124 Ų | 124 | 122.4 Ų | 122.4 | 75% | 0.752 | 71% | 0.708 | S | S | * | * | 72.3 | 140.8 | 97.6 | 133.6 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 59 | C | 30.9 | Very low | 33 | Very low | 96 Ų | 96 | 123.7 Ų | 123.7 | 65% | 0.649 | 71% | 0.71 | S | S | * | * | cis | -143.8 | 151.6 | 4.3 | -117.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 60 | C | 28.3 | Very low | 33 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | 53 | 148.4 | 89.1 | -55.9 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 61 | A | 29.7 | Very low | 33.1 | Very low | 94 Ų | 94 | 122.8 Ų | 122.8 | 78% | 0.777 | 72% | 0.716 | S | S | * | * | cis | 170.6 | 165 | -10 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 62 | D | 30.7 | Very low | 33.1 | Very low | 138 Ų | 138 | 123.5 Ų | 123.5 | 74% | 0.738 | 72% | 0.718 | S | S | * | * | cis | -112.3 | -112 | -6.6 | -172.5 | -146.1 | 0 | 0 | 0 | 110.5 | S64 | D62-S64 WeakPolarHBondContact OD1-CB 3.45Š| ||
| 63 | T | 35.1 | Very low | 32.9 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | cis | -135.5 | 157.5 | -4.4 | 50.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 64 | S | 29.6 | Very low | 32.9 | Very low | 87 Ų | 87 | 121.6 Ų | 121.6 | 61% | 0.608 | 72% | 0.722 | S | S | * | * | cis | 83.5 | 125 | 31 | -161.1 | 0 | 0 | 0 | 0 | 115.3 | D62 | D62-S64 WeakPolarHBondContact OD1-CB 3.45Š| ||
| 65 | P | 37.6 | Very low | 32.8 | Very low | 102 Ų | 102 | 121.8 Ų | 121.8 | 66% | 0.662 | 72% | 0.724 | S | S | * | * | cis | -145.3 | 156.9 | -25.8 | 39.1 | -21.4 | 0 | 0 | 0 | 117.5 | ||||
| 66 | K | 32.8 | Very low | 32.6 | Very low | 200 Ų | 200 | 119.6 Ų | 119.6 | 87% | 0.87 | 73% | 0.726 | S | S | * | * | trans | 64.2 | 178.3 | 140.9 | -76.5 | 176.4 | -177.4 | 174.6 | 0 | 118.7 | ||||
| 67 | P | 35.7 | Very low | 32.1 | Very low | 105 Ų | 105 | 123.2 Ų | 123.2 | 68% | 0.682 | 73% | 0.732 | S | S | * | * | -137.3 | 177.6 | -50.1 | 42.1 | -27 | 0 | 0 | 0 | 115.1 | |||||
| 68 | V | 29 | Very low | 32 | Very low | 115 Ų | 115 | 126.4 Ų | 126.4 | 70% | 0.697 | 74% | 0.736 | S | S | * | * | trans | 43 | 133.1 | 130.8 | 173.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 69 | Q | 31.2 | Very low | 31.9 | Very low | 160 Ų | 160 | 126.5 Ų | 126.5 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | -169.8 | 155.8 | 58.9 | -149.8 | 135.2 | 33.1 | 0 | 0 | 115.5 | |||||
| 70 | N | 29.9 | Very low | 32.2 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 78% | 0.775 | 74% | 0.739 | S | S | * | * | trans | 31.1 | 147.5 | 148 | -60.2 | 0.4 | 0 | 0 | 0 | 125 | ||||
| 71 | A | 36.8 | Very low | 32.4 | Very low | 90 Ų | 90 | 130.5 Ų | 130.5 | 74% | 0.744 | 74% | 0.74 | S | S | * | * | trans | -83.2 | 173.6 | 159.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 72 | P | 34.8 | Very low | 32.7 | Very low | 125 Ų | 125 | 130 Ų | 130 | 81% | 0.812 | 73% | 0.73 | S | S | * | * | -148.1 | 178.7 | 92.2 | 40 | -23.1 | 0 | 0 | 0 | 116.7 | |||||
| 73 | T | 34.5 | Very low | 33 | Very low | 127 Ų | 127 | 129.8 Ų | 129.8 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | trans | -86.9 | -172.2 | 167.7 | 55.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 74 | P | 35.3 | Very low | 33.1 | Very low | 105 Ų | 105 | 130 Ų | 130 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | cis | -141.9 | -174.9 | 2.9 | 41.6 | -21.2 | 0 | 0 | 0 | 117.5 | ||||
| 75 | S | 27.9 | Very low | 33.5 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | trans | 68.5 | 156.4 | 144.8 | 67.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 76 | T | 29.8 | Very low | 33.4 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 76% | 0.761 | 73% | 0.734 | S | S | * | * | cis | -168.1 | 179 | -31.4 | 35.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 77 | Y | 27.8 | Very low | 33.5 | Very low | 189 Ų | 189 | 127.3 Ų | 127.3 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | trans | 79.8 | 132.5 | 174.7 | -86.7 | -110.8 | 0 | 0 | 0 | 115.7 | ||||
| 78 | Y | 32.2 | Very low | 33.5 | Very low | 188 Ų | 188 | 127.7 Ų | 127.7 | 74% | 0.737 | 73% | 0.728 | S | S | * | * | cis | 73.1 | 138.9 | 44.4 | -71.7 | -70.1 | 0 | 0 | 0 | 112 | ||||
| 79 | D | 31 | Very low | 33.6 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 67% | 0.674 | 73% | 0.732 | S | S | * | * | cis | -128.8 | 168.6 | 10.4 | -65.8 | -76.6 | 0 | 0 | 0 | 110.1 | ||||
| 80 | D | 35.8 | Very low | 33.6 | Very low | 145 Ų | 145 | 126.7 Ų | 126.7 | 78% | 0.775 | 73% | 0.731 | S | S | * | * | cis | 87.7 | 108.7 | 31.3 | -132.6 | 1.3 | 0 | 0 | 0 | 115.5 | ||||
| 81 | D | 34 | Very low | 33.6 | Very low | 154 Ų | 154 | 125.8 Ų | 125.8 | 82% | 0.824 | 73% | 0.725 | S | S | * | * | trans | 176.9 | 158.2 | 170.6 | -115.5 | -28.3 | 0 | 0 | 0 | 111.5 | ||||
| 82 | S | 36 | Very low | 33.2 | Very low | 82 Ų | 82 | 128 Ų | 128 | 57% | 0.573 | 72% | 0.723 | S | S | * | * | cis | -169.6 | -167.1 | -49 | 57.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 83 | N | 35.9 | Very low | 33 | Very low | 134 Ų | 134 | 129 Ų | 129 | 72% | 0.717 | 72% | 0.717 | S | S | * | * | trans | 86.7 | 137.3 | -174.6 | -57.3 | -82.1 | 0 | 0 | 0 | 115.2 | ||||
| 84 | N | 37.6 | Very low | 32.7 | Very low | 126 Ų | 126 | 128.1 Ų | 128.1 | 67% | 0.674 | 72% | 0.716 | S | S | * | * | cis | -167.8 | 165.1 | -5.8 | -116.6 | -21.5 | 0 | 0 | 0 | 109.5 | ||||
| 85 | N | 37.1 | Very low | 32.5 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 66% | 0.658 | 72% | 0.719 | S | S | * | * | cis | -160.6 | -179.9 | -11.4 | -156.6 | -11.2 | 0 | 0 | 0 | 109.1 | ||||
| 86 | N | 37 | Very low | 32.8 | Very low | 147 Ų | 147 | 128.1 Ų | 128.1 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | trans | 66.3 | 120.2 | 161.4 | -59.1 | -19.6 | 0 | 0 | 0 | 118.1 | ||||
| 87 | G | 33.7 | Very low | 32.8 | Very low | 64 Ų | 64 | 132.7 Ų | 132.7 | 66% | 0.66 | 73% | 0.727 | S | S | * | * | cis | 173.9 | 164.6 | -5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 88 | S | 36.6 | Very low | 32.9 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 78% | 0.783 | 73% | 0.726 | S | S | * | * | trans | 66.2 | 115.2 | -174.2 | 63.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 89 | L | 30.2 | Very low | 32.8 | Very low | 149 Ų | 149 | 128.3 Ų | 128.3 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | 74.2 | 128.3 | 64.8 | -73.2 | 156.9 | 0 | 0 | 0 | 112.6 | L91 | L89-L91 HydrophobicContact CD2-CD1 3.82Š| |||
| 90 | C | 32.4 | Very low | 32.7 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 71% | 0.709 | 73% | 0.733 | S | S | * | * | cis | -123.4 | 151.1 | 3.9 | -88.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 91 | L | 29.5 | Very low | 32.7 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 67% | 0.665 | 74% | 0.735 | S | S | * | * | 63.2 | 138 | 59 | -53.8 | 176.1 | 0 | 0 | 0 | 112.7 | L89 | L89-L91 HydrophobicContact CD2-CD1 3.82Š| |||
| 92 | I | 29.3 | Very low | 32.6 | Very low | 135 Ų | 135 | 126.4 Ų | 126.4 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | cis | -151.7 | 167.1 | 6 | -131.7 | 159.3 | 0 | 0 | 0 | 113.6 | ||||
| 93 | Q | 29.2 | Very low | 32.5 | Very low | 148 Ų | 148 | 132 Ų | 132 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | trans | -42.6 | 177.9 | 166.2 | -67.7 | 128 | -89 | 0 | 0 | 116.6 | ||||
| 94 | S | 28.7 | Very low | 32.3 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | cis | -156.2 | 138 | 30.9 | -53 | 0 | 0 | 0 | 0 | 110 | ||||
| 95 | A | 30.8 | Very low | 32.2 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | 75.8 | 103.3 | 62.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 96 | S | 34.7 | Very low | 31.8 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | 169 | 148.2 | 153.6 | -83.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 97 | R | 29.9 | Very low | 31.8 | Very low | 219 Ų | 219 | 132.3 Ų | 132.3 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | cis | -163.6 | 147.3 | -27.8 | -128.5 | 176.8 | 175.3 | 179.7 | -1.9 | 108.5 | ||||
| 98 | L | 29.2 | Very low | 32.2 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 71% | 0.712 | 75% | 0.748 | S | S | * | * | trans | 23.7 | 128.9 | 153 | -57.5 | 164.6 | 0 | 0 | 0 | 120.2 | ||||
| 99 | D | 31.1 | Very low | 32.5 | Very low | 150 Ų | 150 | 131.7 Ų | 131.7 | 80% | 0.802 | 74% | 0.737 | S | S | * | * | -168.5 | -178.4 | 86.1 | -122.6 | -41.6 | 0 | 0 | 0 | 114.3 | |||||
| 100 | L | 28.6 | Very low | 33 | Very low | 144 Ų | 144 | 130.8 Ų | 130.8 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | trans | -123.9 | 160 | -162.1 | -79.7 | 159.4 | 0 | 0 | 0 | 117 | ||||
| 101 | T | 34.6 | Very low | 33.3 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | trans | 75.6 | 163.2 | 167.3 | 81.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 102 | P | 32.9 | Very low | 34.2 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | cis | -119.3 | 150.2 | -20.6 | 36 | -23.5 | 0 | 0 | 0 | 112.8 | ||||
| 103 | H | 33.7 | Very low | 35.1 | Very low | 200 Ų | 200 | 136.7 Ų | 136.7 | 93% | 0.926 | 72% | 0.718 | S | S | * | * | trans | -135.7 | 106.6 | 163.6 | -110.6 | -63 | 0 | 0 | 0 | 112.5 | ||||
| 104 | T | 31.7 | Very low | 35.9 | Very low | 130 Ų | 130 | 134 Ų | 134 | 80% | 0.798 | 71% | 0.708 | S | S | * | * | trans | -85.7 | 124.2 | 174.3 | 39.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 105 | D | 34.5 | Very low | 37.2 | Very low | 156 Ų | 156 | 136.2 Ų | 136.2 | 83% | 0.834 | 70% | 0.704 | S | S | * | * | trans | -154.9 | 88.7 | 152.5 | -160.3 | -5.1 | 0 | 0 | 0 | 111.2 | S107 | D105-S107 PolarHBondContact O-N 2.97Š| ||
| 106 | Q | 30.7 | Very low | 38.3 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 77% | 0.766 | 69% | 0.693 | S | S | * | * | trans | -78.2 | 86.8 | -173.7 | -73.5 | -158.5 | 26.9 | 0 | 0 | 112.7 | P108 | Q106-P108 WeakPolarHBondContact O-CD 3.42Š| ||
| 107 | S | 34.9 | Very low | 38.8 | Very low | 85 Ų | 85 | 141.4 Ų | 141.4 | 59% | 0.594 | 69% | 0.69 | S | S | * | * | trans | -58.6 | 124.7 | 175.8 | -166.9 | 0 | 0 | 0 | 0 | 112.5 | D105 S109 | D105-S107 PolarHBondContact O-N 2.97Å; S107-S109 PolarHBondContact O-N 3.36Å | ||
| 108 | P | 43.7 | Very low | 40 | Very low | 85 Ų | 85 | 135 Ų | 135 | 55% | 0.552 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 32 | -173.3 | -25.2 | 35.9 | 0 | 0 | 0 | 118.1 | Q106 R112 | Q106-P108 WeakPolarHBondContact O-CD 3.42Å; P108-R112 PolarHBondContact O-NE 3.24Å |
| 109 | S | 41.8 | Very low | 41.1 | Very low | 78 Ų | 78 | 131.5 Ų | 131.5 | 55% | 0.545 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104 | -26.4 | -172.3 | 62.1 | 0 | 0 | 0 | 0 | 114.4 | S107 | S107-S109 PolarHBondContact O-N 3.36Š|
| 110 | H | 41.3 | Very low | 42 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 60% | 0.602 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -74.5 | -49 | 180 | -157.5 | -126.9 | 0 | 0 | 0 | 112.3 | R112 R113 L114 | H110-R112 PolarHBondContact O-N 2.57Å; H110-R112 VanDerWaalsContact O-N 3.07Å; H110-R113 WeakPolarHBondContact O-CB 3.42Å; H110-R113 PolarHBondContact O-N 3.44Å; H110-L114 PolarHBondContact O-N 3.17Å |
| 111 | W | 39.5 | Very low | 43.1 | Very low | 157 Ų | 157 | 124.9 Ų | 124.9 | 60% | 0.595 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -54 | -29.5 | 177.4 | -74.9 | 107.4 | 0 | 0 | 0 | 114.7 | R113 K115 | W111-R113 VanDerWaalsContact C-N 3.31Å; W111-R113 PolarHBondContact O-N 3.27Å; W111-K115 WeakPolarHBondContact O-CB 3.36Å; W111-K115 PolarHBondContact O-N 3.2Å |
| 112 | R | 47.7 | Very low | 43.9 | Very low | 192 Ų | 192 | 124 Ų | 124 | 73% | 0.725 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -74.9 | -15.1 | 176.9 | -58.1 | -174.6 | -161.6 | -143.2 | -2.3 | 114 | P108 H110 | P108-R112 PolarHBondContact O-NE 3.24Å; H110-R112 PolarHBondContact O-N 2.57Å; H110-R112 VanDerWaalsContact O-N 3.07Å |
| 113 | R | 47.3 | Very low | 44.7 | Very low | 143 Ų | 143 | 123.8 Ų | 123.8 | 54% | 0.54 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -86.9 | -43.1 | 169.8 | -78.9 | 178.5 | 165.7 | 170 | -6.3 | 111.3 | H110 W111 K116 R117 | H110-R113 WeakPolarHBondContact O-CB 3.42Å; H110-R113 PolarHBondContact O-N 3.44Å; W111-R113 VanDerWaalsContact C-N 3.31Å; W111-R113 PolarHBondContact O-N 3.27Å; R113-K116 PolarHBondContact O-N 3.29Å; R113-R117 PolarHBondContact O-N 3.1Å |
| 114 | L | 47.3 | Very low | 45.1 | Very low | 91 Ų | 91 | 120.6 Ų | 120.6 | 48% | 0.476 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.3 | -49.6 | 178.7 | -120.1 | 70.5 | 0 | 0 | 0 | 112.3 | H110 K116 R117 T118 | H110-L114 PolarHBondContact O-N 3.17Å; L114-K116 PolarHBondContact O-N 3.17Å; L114-K116 VanDerWaalsContact O-N 3.15Å; L114-R117 PolarHBondContact O-N 2.77Å; L114-T118 PolarHBondContact O-N 3.14Å; L114-T118 VanDerWaalsContact O-N 3.07Å; L114-T118 PolarHBondContact O-OG1 3.38Å |
| 115 | K | 56 | Low | 45.8 | Very low | 154 Ų | 154 | 121 Ų | 121 | 67% | 0.67 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.2 | -17.1 | 176.3 | -70.9 | -166.7 | 175.4 | -172.8 | 0 | 113.9 | W111 T118 S119 | W111-K115 WeakPolarHBondContact O-CB 3.36Å; W111-K115 PolarHBondContact O-N 3.2Å; K115-T118 WeakPolarHBondContact CA-OG1 3.01Å; K115-T118 PolarHBondContact O-OG1 2.77Å; K115-S119 WeakPolarHBondContact O-CB 3.14Å; K115-S119 PolarHBondContact O-N 3.44Å |
| 116 | K | 53.7 | Low | 46.2 | Very low | 118 Ų | 118 | 120.4 Ų | 120.4 | 51% | 0.513 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -86.2 | -43.2 | 172.1 | -177.4 | 147.8 | 178.1 | 52 | 0 | 112.5 | R113 L114 T118 S119 D120 | R113-K116 PolarHBondContact O-N 3.29Å; L114-K116 PolarHBondContact O-N 3.17Å; L114-K116 VanDerWaalsContact O-N 3.15Å; K116-T118 VanDerWaalsContact C-N 3.3Å; K116-T118 PolarHBondContact O-N 3.33Å; K116-S119 PolarHBondContact O-N 3.04Å; K116-D120 WeakPolarHBondContact CE-OD2 3.49Å; K116-D120 VanDerWaalsContact CG-OD2 3.25Å; K116-D120 WeakPolarHBondContact CG-OD2 3.35Å; K116-D120 IonicContact NZ-OD1 2.56Å; K116-D120 PolarHBondContact NZ-OD1 3.39Å; K116-D120 IonicContact NZ-OD2 2.98Å; K116-D120 PolarHBondContact NZ-OD2 3.11Å; K116-D120 WeakPolarHBondContact O-CB 3.29Å; K116-D120 PolarHBondContact O-N 2.81Å |
| 117 | R | 45.3 | Very low | 46.8 | Very low | 197 Ų | 197 | 119 Ų | 119 | 74% | 0.743 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -59.9 | -39.3 | 174.2 | -92.8 | -176.3 | 164.9 | 176 | -7.3 | 112.4 | R113 L114 I121 | R113-R117 PolarHBondContact O-N 3.1Å; L114-R117 PolarHBondContact O-N 2.77Å; R117-I121 WeakPolarHBondContact O-CD1 3.46Å; R117-I121 WeakPolarHBondContact O-CG1 3.41Å; R117-I121 PolarHBondContact O-N 3.39Å |
| 118 | T | 54.6 | Low | 46.9 | Very low | 83 Ų | 83 | 121.8 Ų | 121.8 | 51% | 0.509 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -70.5 | -42.3 | 177 | 43.8 | 0 | 0 | 0 | 0 | 112.9 | L114 K115 K116 I121 L122 | L114-T118 PolarHBondContact O-N 3.14Å; L114-T118 VanDerWaalsContact O-N 3.07Å; L114-T118 PolarHBondContact O-OG1 3.38Å; K115-T118 WeakPolarHBondContact CA-OG1 3.01Å; K115-T118 PolarHBondContact O-OG1 2.77Å; K116-T118 VanDerWaalsContact C-N 3.3Å; K116-T118 PolarHBondContact O-N 3.33Å; T118-I121 PolarHBondContact O-N 2.8Å; T118-L122 PolarHBondContact O-N 3.16Å; T118-L122 VanDerWaalsContact O-N 3.08Å |
| 119 | S | 53.3 | Low | 46.6 | Very low | 63 Ų | 63 | 125.4 Ų | 125.4 | 44% | 0.441 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.3 | -42 | 174.1 | -169.1 | 0 | 0 | 0 | 0 | 112.6 | K115 K116 I121 E123 | K115-S119 WeakPolarHBondContact O-CB 3.14Å; K115-S119 PolarHBondContact O-N 3.44Å; K116-S119 PolarHBondContact O-N 3.04Å; S119-I121 PolarHBondContact O-N 2.73Å; S119-E123 WeakPolarHBondContact O-CB 3.08Å; S119-E123 PolarHBondContact O-N 3.43Å; S119-E123 VanDerWaalsContact O-N 3.09Å |
| 120 | D | 48.7 | Very low | 46.3 | Very low | 60 Ų | 60 | 131.5 Ų | 131.5 | 32% | 0.321 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -70.2 | -20.7 | -179.8 | -64.8 | -14.6 | 0 | 0 | 0 | 112 | K116 M124 | K116-D120 WeakPolarHBondContact CE-OD2 3.49Å; K116-D120 VanDerWaalsContact CG-OD2 3.25Å; K116-D120 WeakPolarHBondContact CG-OD2 3.35Å; K116-D120 IonicContact NZ-OD1 2.56Å; K116-D120 PolarHBondContact NZ-OD1 3.39Å; K116-D120 IonicContact NZ-OD2 2.98Å; K116-D120 PolarHBondContact NZ-OD2 3.11Å; K116-D120 WeakPolarHBondContact O-CB 3.29Å; K116-D120 PolarHBondContact O-N 2.81Å; D120-M124 WeakPolarHBondContact O-CE 3.37Å; D120-M124 WeakPolarHBondContact O-CG 3.36Å |
| 121 | I | 52.2 | Low | 45.9 | Very low | 95 Ų | 95 | 131.7 Ų | 131.7 | 49% | 0.487 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -82.4 | -48.1 | 174.1 | -73 | 167 | 0 | 0 | 0 | 111.3 | R117 T118 S119 E123 M124 Q125 | R117-I121 WeakPolarHBondContact O-CD1 3.46Å; R117-I121 WeakPolarHBondContact O-CG1 3.41Å; R117-I121 PolarHBondContact O-N 3.39Å; T118-I121 PolarHBondContact O-N 2.8Å; S119-I121 PolarHBondContact O-N 2.73Å; I121-E123 VanDerWaalsContact C-N 3.26Å; I121-E123 PolarHBondContact O-N 2.84Å; I121-M124 PolarHBondContact O-N 3.22Å; I121-M124 VanDerWaalsContact O-N 3.09Å; I121-Q125 PolarHBondContact O-N 3.08Å |
| 122 | L | 50.6 | Low | 45.8 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 60% | 0.602 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -60.1 | -35.4 | 176.5 | -112.4 | 73.1 | 0 | 0 | 0 | 112.5 | T118 M124 | T118-L122 PolarHBondContact O-N 3.16Å; T118-L122 VanDerWaalsContact O-N 3.08Å; L122-M124 VanDerWaalsContact C-N 3.29Å; L122-M124 PolarHBondContact O-N 3.02Å |
| 123 | E | 50.8 | Low | 45.3 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 49% | 0.486 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -78.1 | -10.8 | 179.5 | -153.3 | -177.7 | 154.4 | 0 | 0 | 113.6 | S119 I121 K127 | S119-E123 WeakPolarHBondContact O-CB 3.08Å; S119-E123 PolarHBondContact O-N 3.43Å; S119-E123 VanDerWaalsContact O-N 3.09Å; I121-E123 VanDerWaalsContact C-N 3.26Å; I121-E123 PolarHBondContact O-N 2.84Å; E123-K127 IonicContact OE1-NZ 3.82Å; E123-K127 PolarHBondContact OE1-NZ 3.44Å |
| 124 | M | 42.1 | Very low | 44.6 | Very low | 133 Ų | 133 | 125 Ų | 125 | 66% | 0.655 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -92.7 | -24.1 | 171.8 | -76.5 | -167.7 | -70.8 | 0 | 0 | 113.4 | D120 I121 L122 | D120-M124 WeakPolarHBondContact O-CE 3.37Å; D120-M124 WeakPolarHBondContact O-CG 3.36Å; I121-M124 PolarHBondContact O-N 3.22Å; I121-M124 VanDerWaalsContact O-N 3.09Å; L122-M124 VanDerWaalsContact C-N 3.29Å; L122-M124 PolarHBondContact O-N 3.02Å |
| 125 | Q | 45 | Very low | 44 | Very low | 137 Ų | 137 | 127.5 Ų | 127.5 | 64% | 0.64 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -75.6 | -32.6 | 173.9 | -69.5 | 179.3 | -63.1 | 0 | 0 | 112.3 | I121 K127 | I121-Q125 PolarHBondContact O-N 3.08Å; Q125-K127 VanDerWaalsContact C-N 3.35Å; Q125-K127 PolarHBondContact O-N 3.05Å |
| 126 | N | 44.6 | Very low | 43 | Very low | 144 Ų | 144 | 128 Ų | 128 | 77% | 0.77 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 22 | -177.4 | -85.8 | -25.1 | 0 | 0 | 0 | 115.7 | ||
| 127 | K | 43.3 | Very low | 42 | Very low | 136 Ų | 136 | 126.8 Ų | 126.8 | 59% | 0.591 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.8 | 21.5 | -178.4 | -63.3 | -174 | -173.3 | 174.3 | 0 | 114.8 | E123 Q125 | E123-K127 IonicContact OE1-NZ 3.82Å; E123-K127 PolarHBondContact OE1-NZ 3.44Å; Q125-K127 VanDerWaalsContact C-N 3.35Å; Q125-K127 PolarHBondContact O-N 3.05Å |
| 128 | N | 37.1 | Very low | 41.5 | Very low | 143 Ų | 143 | 125 Ų | 125 | 77% | 0.765 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -124 | 31.1 | -174.7 | -103.2 | -5.4 | 0 | 0 | 0 | 113.7 | ||
| 129 | L | 35.9 | Very low | 40.5 | Very low | 160 Ų | 160 | 127.6 Ų | 127.6 | 84% | 0.838 | 68% | 0.68 | S | S | * | * | trans | -132.4 | 153.9 | 166.5 | -82.9 | 93.1 | 0 | 0 | 0 | 110.8 | ||||
| 130 | K | 35.5 | Very low | 39.3 | Very low | 206 Ų | 206 | 129.4 Ų | 129.4 | 90% | 0.896 | 69% | 0.693 | S | S | * | * | trans | 75.7 | 73.2 | 176.9 | -56.8 | -167.8 | 176.3 | -171.3 | 0 | 117.2 | ||||
| 131 | T | 33.9 | Very low | 38.5 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 83% | 0.828 | 71% | 0.714 | S | S | * | * | trans | -140.7 | 142.5 | 146.5 | 49.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 132 | S | 36.7 | Very low | 37.4 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 81% | 0.811 | 73% | 0.73 | S | S | * | * | trans | 71.6 | 142.3 | -172 | -135.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 133 | S | 38.1 | Very low | 36.4 | Very low | 107 Ų | 107 | 132.2 Ų | 132.2 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | cis | -152.8 | 166.6 | -10 | 6.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 134 | T | 32.4 | Very low | 35.4 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | -80.6 | 174.5 | -177.1 | -35.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 135 | L | 35 | Very low | 34.7 | Very low | 143 Ų | 143 | 132 Ų | 132 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | trans | 83.6 | 142.3 | 173.1 | -48.7 | 174.4 | 0 | 0 | 0 | 113.8 | ||||
| 136 | E | 34.4 | Very low | 33.9 | Very low | 163 Ų | 163 | 132.1 Ų | 132.1 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | cis | -148.6 | -173.5 | 1.9 | -139.5 | 153.5 | -141.5 | 0 | 0 | 113.2 | ||||
| 137 | S | 31.7 | Very low | 33.1 | Very low | 94 Ų | 94 | 129.9 Ų | 129.9 | 66% | 0.657 | 75% | 0.751 | S | S | * | * | trans | -59.8 | 164.2 | -177.8 | 53.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 138 | Q | 35.1 | Very low | 32.4 | Very low | 158 Ų | 158 | 131.5 Ų | 131.5 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | -165 | 161.5 | 54.5 | -70.8 | 179.3 | 6.6 | 0 | 0 | 113.8 | |||||
| 139 | I | 33.5 | Very low | 31.8 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | 39.6 | 108.6 | 138.7 | -57.7 | 163.6 | 0 | 0 | 0 | 116.8 | ||||
| 140 | S | 29.5 | Very low | 31.3 | Very low | 101 Ų | 101 | 128.1 Ų | 128.1 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | 75.5 | 131 | 52 | -165.6 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 141 | S | 30.4 | Very low | 30.9 | Very low | 108 Ų | 108 | 122.7 Ų | 122.7 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | 65 | 152.9 | 167.2 | 78.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 142 | V | 29.4 | Very low | 30.7 | Very low | 137 Ų | 137 | 125 Ų | 125 | 83% | 0.83 | 74% | 0.744 | S | S | * | * | cis | -150.3 | 171.6 | -17 | 116.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 143 | A | 29.4 | Very low | 30.4 | Very low | 83 Ų | 83 | 127.6 Ų | 127.6 | 69% | 0.686 | 74% | 0.741 | S | S | * | * | trans | -41.5 | 152.5 | -180 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 144 | T | 30.9 | Very low | 30.1 | Very low | 134 Ų | 134 | 128.4 Ų | 128.4 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | -164.5 | 142.4 | 117.1 | -75.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 145 | C | 26 | Very low | 30 | Very low | 98 Ų | 98 | 127.5 Ų | 127.5 | 66% | 0.662 | 74% | 0.738 | S | S | * | * | trans | -24.6 | 157 | 171.3 | -48.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 146 | N | 28.3 | Very low | 29.6 | Very low | 140 Ų | 140 | 126.6 Ų | 126.6 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | trans | 52.4 | 104 | 131.7 | -60.6 | 8 | 0 | 0 | 0 | 117.5 | ||||
| 147 | S | 27.8 | Very low | 29.3 | Very low | 97 Ų | 97 | 123.8 Ų | 123.8 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | 76.7 | 163.2 | 87.1 | 74.1 | 0 | 0 | 0 | 0 | 114 | |||||
| 148 | E | 28.4 | Very low | 29.1 | Very low | 171 Ų | 171 | 126.1 Ų | 126.1 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | trans | 66.7 | 90.9 | 179.8 | -62.6 | 178.8 | -162.6 | 0 | 0 | 114.4 | ||||
| 149 | T | 26.1 | Very low | 28.7 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | 70.5 | 110.3 | 90.6 | 57.8 | 0 | 0 | 0 | 0 | 117 | |||||
| 150 | S | 25.6 | Very low | 28.4 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | trans | 81.6 | 158.3 | 140 | 83.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 151 | S | 26.7 | Very low | 28.3 | Very low | 92 Ų | 92 | 124.3 Ų | 124.3 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | trans | 97.8 | 140.5 | 154.4 | 82.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 152 | F | 30.1 | Very low | 28.3 | Very low | 184 Ų | 184 | 125.4 Ų | 125.4 | 81% | 0.807 | 75% | 0.746 | S | S | * | * | trans | 58.1 | 113.9 | 172.5 | -59.1 | -78.1 | 0 | 0 | 0 | 117.7 | ||||
| 153 | F | 29 | Very low | 28.2 | Very low | 170 Ų | 170 | 124.6 Ų | 124.6 | 75% | 0.746 | 75% | 0.745 | S | S | * | * | cis | 58.2 | 127.4 | 48.9 | -66.9 | -77.3 | 0 | 0 | 0 | 113.6 | ||||
| 154 | P | 33.5 | Very low | 28.2 | Very low | 124 Ų | 124 | 123.9 Ų | 123.9 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | -97 | 152.4 | 66.9 | -15.3 | 33.5 | 0 | 0 | 0 | 114 | |||||
| 155 | T | 28.8 | Very low | 28.2 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | cis | 82.1 | 121.3 | 36.7 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 156 | V | 28.2 | Very low | 28.4 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 76% | 0.758 | 75% | 0.749 | S | S | * | * | cis | -154.5 | 178.7 | 1.3 | 102.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 157 | T | 27.9 | Very low | 28.6 | Very low | 103 Ų | 103 | 121.8 Ų | 121.8 | 63% | 0.632 | 74% | 0.744 | S | S | * | * | trans | -45.8 | 166.8 | 179.7 | 63.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 158 | N | 26.9 | Very low | 28.8 | Very low | 144 Ų | 144 | 127.2 Ų | 127.2 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | 21.8 | 116.2 | 136 | -57.3 | -17.9 | 0 | 0 | 0 | 118.5 | ||||
| 159 | T | 26.5 | Very low | 29 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | -165.1 | 114.5 | 120.2 | 15.5 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 160 | V | 27.8 | Very low | 29.2 | Very low | 127 Ų | 127 | 125.4 Ų | 125.4 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | 81.5 | 144.9 | 92.9 | 166.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 161 | S | 27.8 | Very low | 29.4 | Very low | 104 Ų | 104 | 125.2 Ų | 125.2 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | 75.6 | 139 | 178.1 | -63.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 162 | T | 29.6 | Very low | 29.4 | Very low | 130 Ų | 130 | 128.4 Ų | 128.4 | 80% | 0.798 | 74% | 0.741 | S | S | * | * | cis | -151.3 | 166.8 | 2.3 | -5.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 163 | C | 26.4 | Very low | 29.3 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 81% | 0.811 | 73% | 0.733 | S | S | * | * | trans | -39.2 | 154.5 | 172.7 | -50.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 164 | G | 30.4 | Very low | 29.4 | Very low | 68 Ų | 68 | 122.4 Ų | 122.4 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | cis | 144.2 | -152.4 | 1.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 165 | I | 29.7 | Very low | 29 | Very low | 160 Ų | 160 | 122.8 Ų | 122.8 | 82% | 0.821 | 73% | 0.727 | S | S | * | * | trans | 75.6 | 110.3 | 167.5 | -51.1 | 174.3 | 0 | 0 | 0 | 116.6 | ||||
| 166 | S | 30.1 | Very low | 28.9 | Very low | 106 Ų | 106 | 121.8 Ų | 121.8 | 74% | 0.741 | 73% | 0.725 | S | S | * | * | trans | 47.1 | 137.2 | 158 | 67.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 167 | G | 33.6 | Very low | 28.8 | Very low | 62 Ų | 62 | 122.6 Ų | 122.6 | 64% | 0.639 | 73% | 0.725 | S | S | * | * | cis | 130.8 | 165 | 0.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 168 | Y | 31.3 | Very low | 28.8 | Very low | 211 Ų | 211 | 125.4 Ų | 125.4 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | trans | 66.2 | 131.4 | 170.9 | -55.8 | -73.5 | 0 | 0 | 0 | 115.7 | ||||
| 169 | N | 33.5 | Very low | 28.8 | Very low | 122 Ų | 122 | 126.2 Ų | 126.2 | 65% | 0.652 | 73% | 0.732 | S | S | * | * | cis | -142.3 | 145 | 10.2 | -85.6 | -52 | 0 | 0 | 0 | 112.2 | ||||
| 170 | N | 30 | Very low | 28.9 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | trans | 61.6 | 124 | 138.9 | -57.3 | -3.5 | 0 | 0 | 0 | 119.3 | ||||
| 171 | V | 29.7 | Very low | 28.9 | Very low | 107 Ų | 107 | 123.6 Ų | 123.6 | 65% | 0.648 | 72% | 0.716 | S | S | * | * | 70.2 | 129.1 | 59.9 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 172 | E | 27.9 | Very low | 29 | Very low | 159 Ų | 159 | 126.4 Ų | 126.4 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | cis | -131.1 | 148.4 | 16.6 | -130.2 | 119.4 | -143.2 | 0 | 0 | 109.1 | ||||
| 173 | I | 27.9 | Very low | 29 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | 44.4 | 117.7 | 82.9 | -42.5 | 176.2 | 0 | 0 | 0 | 111.1 | |||||
| 174 | S | 29.6 | Very low | 28.9 | Very low | 105 Ų | 105 | 127 Ų | 127 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | -161.2 | 145.2 | 74 | -49.9 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 175 | N | 25.2 | Very low | 28.8 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | 54.5 | 94.7 | 58.7 | -64.9 | -4.5 | 0 | 0 | 0 | 110.1 | |||||
| 176 | S | 27.7 | Very low | 28.7 | Very low | 89 Ų | 89 | 131.7 Ų | 131.7 | 62% | 0.622 | 71% | 0.71 | S | S | * | * | 83.1 | 156 | 80.4 | 73.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 177 | D | 26.4 | Very low | 28.6 | Very low | 141 Ų | 141 | 134 Ų | 134 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | trans | 70.6 | 118.1 | 159.8 | -51.9 | -51.7 | 0 | 0 | 0 | 120.2 | ||||
| 178 | M | 26.3 | Very low | 28.3 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 80% | 0.803 | 72% | 0.715 | S | S | * | * | trans | 71.6 | 164.5 | 142.7 | -61 | -134.2 | 70.5 | 0 | 0 | 120.7 | ||||
| 179 | E | 28 | Very low | 28.3 | Very low | 161 Ų | 161 | 135.3 Ų | 135.3 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | trans | 45 | 102.9 | 156.9 | -72.6 | 172.4 | 120.7 | 0 | 0 | 119 | ||||
| 180 | S | 28.1 | Very low | 28.4 | Very low | 87 Ų | 87 | 135.6 Ų | 135.6 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | 113.6 | 171.1 | 66.3 | 69.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 181 | N | 27.7 | Very low | 28.2 | Very low | 114 Ų | 114 | 134 Ų | 134 | 61% | 0.61 | 72% | 0.723 | S | S | * | * | trans | 64.5 | 114.1 | 154.3 | -76.4 | -68.3 | 0 | 0 | 0 | 120.7 | ||||
| 182 | K | 30.5 | Very low | 28 | Very low | 162 Ų | 162 | 133.5 Ų | 133.5 | 70% | 0.704 | 72% | 0.724 | S | S | * | * | 82.6 | 105 | 126.7 | -65.1 | 174.9 | 178.8 | 109.5 | 0 | 120.4 | |||||
| 183 | N | 28.6 | Very low | 27.8 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | 72.3 | 103.7 | 115.3 | -59.9 | 2.8 | 0 | 0 | 0 | 121.3 | |||||
| 184 | C | 25.1 | Very low | 27.7 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | 84.5 | 166.2 | 112.2 | -156.3 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 185 | L | 28.3 | Very low | 27.6 | Very low | 134 Ų | 134 | 131.5 Ų | 131.5 | 70% | 0.702 | 73% | 0.727 | S | S | * | * | trans | 80.4 | 103.7 | 167.3 | -58.7 | 176.9 | 0 | 0 | 0 | 119.1 | ||||
| 186 | Y | 27 | Very low | 27.7 | Very low | 192 Ų | 192 | 132.1 Ų | 132.1 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | 88.8 | 134.4 | 120.4 | -90.1 | -146.5 | 0 | 0 | 0 | 122.2 | |||||
| 187 | Q | 28.5 | Very low | 27.7 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 73% | 0.729 | 74% | 0.737 | S | S | * | * | trans | 82 | 108.2 | 136.1 | -75.6 | 179.1 | -6.3 | 0 | 0 | 122.4 | ||||
| 188 | S | 28 | Very low | 28 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | 96.6 | 121.3 | 115.5 | -61.6 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 189 | F | 30.6 | Very low | 28.2 | Very low | 193 Ų | 193 | 133.2 Ų | 133.2 | 85% | 0.846 | 73% | 0.734 | S | S | * | * | trans | -41.4 | 159.6 | 142.1 | -75.6 | -74.5 | 0 | 0 | 0 | 113.2 | ||||
| 190 | P | 35 | Very low | 28.4 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 83% | 0.825 | 73% | 0.733 | S | S | * | * | -153.2 | -170.3 | 53.3 | 44.3 | -22.3 | 0 | 0 | 0 | 118.8 | |||||
| 191 | S | 25.7 | Very low | 28.7 | Very low | 98 Ų | 98 | 132 Ų | 132 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | trans | -70.6 | 163.5 | -178.2 | -49.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 192 | S | 26.3 | Very low | 29.1 | Very low | 97 Ų | 97 | 131.1 Ų | 131.1 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | trans | 69.8 | 137.8 | 141.3 | 63.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 193 | N | 24.1 | Very low | 29.4 | Very low | 151 Ų | 151 | 128 Ų | 128 | 81% | 0.807 | 75% | 0.749 | S | S | * | * | trans | 64.8 | 145 | 162.4 | -54.1 | -18.8 | 0 | 0 | 0 | 116.6 | ||||
| 194 | S | 25.9 | Very low | 29.6 | Very low | 94 Ų | 94 | 127.5 Ų | 127.5 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | cis | -177.2 | 160.1 | -21.3 | 57.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 195 | S | 27.2 | Very low | 29.9 | Very low | 102 Ų | 102 | 130 Ų | 130 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | 77.4 | 161 | 155 | -42.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 196 | I | 26.4 | Very low | 30.4 | Very low | 143 Ų | 143 | 130.4 Ų | 130.4 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | trans | 82.1 | 91.1 | 155.7 | -65.6 | 160.1 | 0 | 0 | 0 | 117.7 | ||||
| 197 | I | 28.8 | Very low | 30.7 | Very low | 156 Ų | 156 | 125 Ų | 125 | 80% | 0.8 | 74% | 0.737 | S | S | * | * | 81.5 | 150.2 | 116 | -83.9 | 160.7 | 0 | 0 | 0 | 118.2 | |||||
| 198 | P | 32.9 | Very low | 31.1 | Very low | 101 Ų | 101 | 122.4 Ų | 122.4 | 66% | 0.656 | 73% | 0.734 | S | S | * | * | -141.9 | -165.7 | -112.6 | 46.9 | -30.5 | 0 | 0 | 0 | 116.9 | |||||
| 199 | L | 29.6 | Very low | 31.1 | Very low | 160 Ų | 160 | 119.3 Ų | 119.3 | 84% | 0.838 | 72% | 0.719 | S | S | * | * | trans | 44.4 | 118.7 | 152.7 | -93.9 | 76 | 0 | 0 | 0 | 120.7 | ||||
| 200 | G | 32.7 | Very low | 31.7 | Very low | 70 Ų | 70 | 119 Ų | 119 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | trans | 148.3 | 144.8 | 135 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 201 | N | 32.9 | Very low | 32.1 | Very low | 153 Ų | 153 | 122.6 Ų | 122.6 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | cis | -168.7 | 169 | -25.8 | -113.5 | -5.1 | 0 | 0 | 0 | 109.4 | ||||
| 202 | A | 37.6 | Very low | 32.9 | Very low | 94 Ų | 94 | 123 Ų | 123 | 78% | 0.777 | 72% | 0.721 | S | S | * | * | trans | 79.8 | 140.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 203 | S | 36.8 | Very low | 33.4 | Very low | 96 Ų | 96 | 123.9 Ų | 123.9 | 67% | 0.671 | 73% | 0.725 | S | S | * | * | S | Bend | cis | -163.4 | 134.2 | -13.4 | -95.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 204 | L | 32.5 | Very low | 34.2 | Very low | 136 Ų | 136 | 121.3 Ų | 121.3 | 71% | 0.712 | 72% | 0.717 | S | S | * | * | cis | -122.1 | -140.7 | -12.6 | -61.3 | 171.1 | 0 | 0 | 0 | 110.6 | D207 | L204-D207 WeakPolarHBondContact CA-OD2 3.17Å; L204-D207 WeakPolarHBondContact CB-OD1 3.32Å; L204-D207 WeakPolarHBondContact CB-OD2 3.3Å; L204-D207 PolarHBondContact N-OD2 3.17Å | ||
| 205 | L | 30.6 | Very low | 34.6 | Very low | 170 Ų | 170 | 123.4 Ų | 123.4 | 89% | 0.89 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -131.4 | 78.2 | -166.9 | -176.8 | 121.9 | 0 | 0 | 0 | 112.3 | D207 | L205-D207 PolarHBondContact N-OD1 2.84Š|
| 206 | L | 39.7 | Very low | 35.2 | Very low | 143 Ų | 143 | 122.9 Ų | 122.9 | 75% | 0.749 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -159.5 | -51.9 | 152.8 | -179.5 | 170.9 | 0 | 0 | 0 | 110.6 | ||
| 207 | D | 33.5 | Very low | 35.6 | Very low | 77 Ų | 77 | 123.7 Ų | 123.7 | 41% | 0.412 | 72% | 0.715 | S | S | . | * | cis | -140.3 | 140 | -7.5 | -148.6 | 50 | 0 | 0 | 0 | 113 | L204 L205 | L204-D207 WeakPolarHBondContact CA-OD2 3.17Å; L204-D207 WeakPolarHBondContact CB-OD1 3.32Å; L204-D207 WeakPolarHBondContact CB-OD2 3.3Å; L204-D207 PolarHBondContact N-OD2 3.17Å; L205-D207 PolarHBondContact N-OD1 2.84Å | ||
| 208 | P | 35.2 | Very low | 35.8 | Very low | 103 Ų | 103 | 126.5 Ų | 126.5 | 67% | 0.669 | 72% | 0.715 | S | S | * | * | S | Bend | cis | -113 | 101.9 | -28.9 | 20 | 0.3 | 0 | 0 | 0 | 111.6 | ||
| 209 | G | 30 | Very low | 35.9 | Very low | 42 Ų | 42 | 128.1 Ų | 128.1 | 43% | 0.433 | 72% | 0.717 | S | S | . | * | trans | 77.6 | 173.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 210 | K | 41.4 | Very low | 36.1 | Very low | 187 Ų | 187 | 125.3 Ų | 125.3 | 81% | 0.813 | 71% | 0.711 | S | S | * | * | cis | -140.4 | 143.6 | -4.3 | -54.6 | 170.5 | -174.4 | 170.2 | 0 | 105.4 | ||||
| 211 | F | 44.9 | Very low | 36.8 | Very low | 201 Ų | 201 | 128.2 Ų | 128.2 | 88% | 0.882 | 72% | 0.717 | S | S | * | * | cis | -146.8 | 151.5 | 42.6 | -111.2 | -98.3 | 0 | 0 | 0 | 112.8 | ||||
| 212 | C | 42 | Very low | 36.6 | Very low | 106 Ų | 106 | 124.4 Ų | 124.4 | 72% | 0.716 | 71% | 0.714 | S | S | * | * | trans | -93.3 | 179.4 | 164.9 | -128.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 213 | P | 37.4 | Very low | 36.3 | Very low | 117 Ų | 117 | 124.6 Ų | 124.6 | 76% | 0.76 | 72% | 0.716 | S | S | * | * | cis | -147.1 | -156.4 | 46.8 | 45.8 | -21.8 | 0 | 0 | 0 | 113.8 | ||||
| 214 | P | 40.8 | Very low | 36.1 | Very low | 97 Ų | 97 | 125.8 Ų | 125.8 | 63% | 0.63 | 72% | 0.724 | S | S | * | * | -139.6 | 175.8 | -95.7 | 42.6 | -23.4 | 0 | 0 | 0 | 117.7 | |||||
| 215 | N | 34.4 | Very low | 36 | Very low | 137 Ų | 137 | 122.9 Ų | 122.9 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | trans | 67.2 | 150.2 | 154.8 | -83.8 | -28.7 | 0 | 0 | 0 | 119.6 | ||||
| 216 | S | 38.2 | Very low | 36.1 | Very low | 91 Ų | 91 | 120.2 Ų | 120.2 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | cis | -162.5 | 136.9 | -7.6 | 45 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 217 | K | 35.4 | Very low | 36 | Very low | 160 Ų | 160 | 118.5 Ų | 118.5 | 70% | 0.696 | 72% | 0.722 | S | S | * | * | 47.7 | 148 | 128.4 | -56.2 | 173.6 | 178.8 | 173.8 | 0 | 119 | |||||
| 218 | W | 32.7 | Very low | 35.9 | Very low | 215 Ų | 215 | 121.3 Ų | 121.3 | 81% | 0.814 | 74% | 0.736 | S | S | * | * | cis | -169.2 | 176.9 | 15.4 | -126.5 | -165.3 | 0 | 0 | 0 | 107.5 | ||||
| 219 | I | 35.6 | Very low | 35.9 | Very low | 135 Ų | 135 | 121.4 Ų | 121.4 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | cis | -150.4 | -154 | -0.1 | -159.8 | 166.6 | 0 | 0 | 0 | 108.7 | ||||
| 220 | S | 34.6 | Very low | 36.2 | Very low | 102 Ų | 102 | 122.9 Ų | 122.9 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | -161.5 | -165.7 | 177.8 | -73 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 221 | P | 47.5 | Very low | 35.8 | Very low | 131 Ų | 131 | 117 Ų | 117 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | -127.2 | 178 | -68.5 | 38.8 | -24.8 | 0 | 0 | 0 | 113.5 | |||||
| 222 | G | 28.1 | Very low | 35.4 | Very low | 73 Ų | 73 | 115 Ų | 115 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | trans | -178.8 | 137.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 223 | A | 31.6 | Very low | 35.4 | Very low | 97 Ų | 97 | 115.6 Ų | 115.6 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | trans | 60.1 | 129.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 224 | S | 32.6 | Very low | 35.2 | Very low | 122 Ų | 122 | 114 Ų | 114 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | trans | 45.5 | 116.9 | 143.7 | 60.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 225 | G | 30.4 | Very low | 35.1 | Very low | 74 Ų | 74 | 114.7 Ų | 114.7 | 76% | 0.763 | 74% | 0.737 | S | S | * | * | trans | 118.6 | 105.3 | 139.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 226 | S | 33.2 | Very low | 35.1 | Very low | 115 Ų | 115 | 114 Ų | 114 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | S | Bend | trans | 65.5 | 169.7 | 152.8 | -154 | 0 | 0 | 0 | 0 | 119.9 | I228 | S226-I228 PolarHBondContact O-N 3.13Å; S226-I228 VanDerWaalsContact O-N 3.09Å |
| 227 | S | 37.1 | Very low | 35.3 | Very low | 107 Ų | 107 | 115 Ų | 115 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | trans | 68.2 | -8.4 | 160.8 | -145.3 | 0 | 0 | 0 | 0 | 121.9 | A229 | S227-A229 VanDerWaalsContact C-N 3.26Å; S227-A229 PolarHBondContact O-N 3.19Å | ||
| 228 | I | 30.1 | Very low | 35.4 | Very low | 136 Ų | 136 | 114.4 Ų | 114.4 | 70% | 0.697 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -76 | -7.4 | -175 | -47.4 | -176.4 | 0 | 0 | 0 | 114.2 | S226 A230 A231 | S226-I228 PolarHBondContact O-N 3.13Å; S226-I228 VanDerWaalsContact O-N 3.09Å; I228-A230 PolarHBondContact O-N 2.77Å; I228-A231 HydrophobicContact CG2-CB 4.01Å; I228-A231 PolarHBondContact O-N 2.75Å |
| 229 | A | 35.6 | Very low | 36.4 | Very low | 104 Ų | 104 | 111 Ų | 111 | 86% | 0.86 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -60.7 | -9.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | S227 | S227-A229 VanDerWaalsContact C-N 3.26Å; S227-A229 PolarHBondContact O-N 3.19Å |
| 230 | A | 36.6 | Very low | 37.7 | Very low | 74 Ų | 74 | 115 Ų | 115 | 61% | 0.612 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -85 | -25.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I228 T233 | I228-A230 PolarHBondContact O-N 2.77Å; A230-T233 WeakPolarHBondContact O-CB 3.33Å; A230-T233 PolarHBondContact O-N 2.66Å; A230-T233 PolarHBondContact O-OG1 3.45Å |
| 231 | A | 32.3 | Very low | 39.7 | Very low | 64 Ų | 64 | 114 Ų | 114 | 53% | 0.529 | 71% | 0.712 | S | S | . | * | G | 310 helix | trans | -77.9 | -30.6 | -160.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | I228 T233 | I228-A231 HydrophobicContact CG2-CB 4.01Å; I228-A231 PolarHBondContact O-N 2.75Å; A231-T233 VanDerWaalsContact C-N 3.25Å; A231-T233 PolarHBondContact O-N 3.32Å |
| 232 | L | 36.9 | Very low | 41.5 | Very low | 157 Ų | 157 | 115.5 Ų | 115.5 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -79.7 | -5.3 | 177.9 | -67.7 | 177.4 | 0 | 0 | 0 | 113.7 | A234 | L232-A234 PolarHBondContact O-N 3.49Š|
| 233 | T | 42.1 | Very low | 44.4 | Very low | 120 Ų | 120 | 120 Ų | 120 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -74.7 | -8.7 | 175.8 | -30.4 | 0 | 0 | 0 | 0 | 112.7 | A230 A231 | A230-T233 WeakPolarHBondContact O-CB 3.33Å; A230-T233 PolarHBondContact O-N 2.66Å; A230-T233 PolarHBondContact O-OG1 3.45Å; A231-T233 VanDerWaalsContact C-N 3.25Å; A231-T233 PolarHBondContact O-N 3.32Å |
| 234 | A | 34.3 | Very low | 47.1 | Very low | 84 Ų | 84 | 116.7 Ų | 116.7 | 69% | 0.694 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -105.9 | 25.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L232 N236 | L232-A234 PolarHBondContact O-N 3.49Å; A234-N236 PolarHBondContact O-N 3Å |
| 235 | V | 36.9 | Very low | 50 | Low | 110 Ų | 110 | 113.5 Ų | 113.5 | 67% | 0.667 | 65% | 0.653 | S | S | * | * | trans | -57.6 | 126.6 | 166 | 176.7 | 0 | 0 | 0 | 0 | 108.7 | I237 | V235-I237 VanDerWaalsContact C-N 3.31Å; V235-I237 PolarHBondContact O-N 2.85Å | ||
| 236 | N | 35.2 | Very low | 52.9 | Low | 123 Ų | 123 | 113.2 Ų | 113.2 | 66% | 0.658 | 64% | 0.636 | S | S | * | * | trans | -69.3 | 79.6 | -174 | -176.8 | 1.6 | 0 | 0 | 0 | 112.2 | A234 Q238 | A234-N236 PolarHBondContact O-N 3Å; N236-Q238 PolarHBondContact O-N 3.48Å; N236-Q238 WeakPolarHBondContact OD1-CB 3.11Å; N236-Q238 VanDerWaalsContact OD1-CG 3.29Å; N236-Q238 WeakPolarHBondContact OD1-CG 3.49Å; N236-Q238 PolarHBondContact OD1-N 2.83Å | ||
| 237 | I | 42.5 | Very low | 55.6 | Low | 112 Ų | 112 | 110.4 Ų | 110.4 | 57% | 0.574 | 61% | 0.614 | S | S | * | * | trans | -79.4 | 55.3 | 170.9 | -45.2 | -175 | 0 | 0 | 0 | 110.1 | V235 Q239 | V235-I237 VanDerWaalsContact C-N 3.31Å; V235-I237 PolarHBondContact O-N 2.85Å; I237-Q239 HydrophobicContact CG2-CB 3.84Å; I237-Q239 HydrophobicContact CG2-CG 4.14Å; I237-Q239 PolarHBondContact O-N 3.12Å | ||
| 238 | Q | 37.9 | Very low | 58.2 | Low | 147 Ų | 147 | 111.1 Ų | 111.1 | 69% | 0.687 | 60% | 0.604 | S | S | * | * | trans | -75.3 | 31 | 147.3 | -74.4 | -167 | 32 | 0 | 0 | 111.6 | N236 R240 | N236-Q238 PolarHBondContact O-N 3.48Å; N236-Q238 WeakPolarHBondContact OD1-CB 3.11Å; N236-Q238 VanDerWaalsContact OD1-CG 3.29Å; N236-Q238 WeakPolarHBondContact OD1-CG 3.49Å; N236-Q238 PolarHBondContact OD1-N 2.83Å; Q238-R240 PolarHBondContact O-N 3.34Å | ||
| 239 | Q | 52.7 | Low | 60.9 | Low | 145 Ų | 145 | 106.3 Ų | 106.3 | 68% | 0.678 | 58% | 0.581 | S | S | * | * | trans | -61.4 | 93.8 | 156.2 | -70.1 | -167.9 | -10.8 | 0 | 0 | 107.7 | I237 F241 | I237-Q239 HydrophobicContact CG2-CB 3.84Å; I237-Q239 HydrophobicContact CG2-CG 4.14Å; I237-Q239 PolarHBondContact O-N 3.12Å; Q239-F241 VanDerWaalsContact C-N 3.34Å; Q239-F241 PolarHBondContact O-N 3.49Å | ||
| 240 | R | 64.2 | Low | 63.2 | Low | 217 Ų | 217 | 107.9 Ų | 107.9 | 82% | 0.819 | 58% | 0.582 | S | S | * | * | trans | -62 | 92.1 | -179.6 | -71.9 | 178.5 | 171.7 | -176.6 | -2.8 | 109.4 | Q238 K242 | Q238-R240 PolarHBondContact O-N 3.34Å; R240-K242 PolarHBondContact O-N 3.14Å; R240-K242 VanDerWaalsContact O-N 3.15Å | ||
| 241 | F | 76.1 | Confident | 65.3 | Low | 81 Ų | 81 | 111.2 Ų | 111.2 | 36% | 0.355 | 59% | 0.59 | S | S | . | * | trans | -46.8 | 121.4 | 177.9 | -66.3 | -78 | 0 | 0 | 0 | 110.4 | Q239 D245 V247 F257 W262 | Q239-F241 VanDerWaalsContact C-N 3.34Å; Q239-F241 PolarHBondContact O-N 3.49Å; F241-D245 VanDerWaalsContact CA-OD2 3.24Å; F241-D245 WeakPolarHBondContact CA-OD2 3.43Å; F241-D245 HydrophobicContact CD1-CB 4.34Å; F241-V247 HydrophobicContact CD1-CG2 4.39Å; F241-V247 HydrophobicContact CE1-CG2 3.88Å; F241-F257 HydrophobicContact CB-CB 4.33Å; F241-F257 HydrophobicContact CB-CD1 3.88Å; F241-F257 HydrophobicContact CB-CE1 4.4Å; F241-F257 HydrophobicContact CB-CG 4.15Å; F241-F257 WeakPolarHBondContact O-CD1 3.18Å; F241-F257 WeakPolarHBondContact O-CE1 3.29Å; F241-W262 HydrophobicContact CB-CH2 4.45Å; F241-W262 HydrophobicContact CB-CZ2 4.39Å; F241-W262 AromaticContact CD1-CH2 3.78Å; F241-W262 HydrophobicContact CD1-CH2 3.78Å; F241-W262 HydrophobicContact CD1-CZ2 4.1Å; F241-W262 HydrophobicContact CD2-CH2 4.24Å; F241-W262 AromaticContact CD2-CZ2 3.7Å; F241-W262 HydrophobicContact CD2-CZ2 3.7Å; F241-W262 HydrophobicContact CE1-CH2 4.03Å; F241-W262 HydrophobicContact CE1-CZ2 4.31Å; F241-W262 HydrophobicContact CE2-CH2 4.46Å; F241-W262 AromaticContact CE2-CZ2 3.93Å; F241-W262 HydrophobicContact CE2-CZ2 3.93Å; F241-W262 AromaticContact CG-CH2 3.89Å; F241-W262 HydrophobicContact CG-CH2 3.89Å; F241-W262 AromaticContact CG-CZ2 3.79Å; F241-W262 HydrophobicContact CG-CZ2 3.79Å; F241-W262 HydrophobicContact CZ-CH2 4.36Å; F241-W262 HydrophobicContact CZ-CZ2 4.23Å | ||
| 242 | K | 85.1 | Confident | 67.8 | Low | 163 Ų | 163 | 110.3 Ų | 110.3 | 71% | 0.709 | 59% | 0.587 | S | S | * | * | trans | -79.5 | 160.1 | -177.5 | -63 | 177.4 | -169.4 | -81.5 | 0 | 109.5 | R240 G244 D245 | R240-K242 PolarHBondContact O-N 3.14Å; R240-K242 VanDerWaalsContact O-N 3.15Å; K242-G244 VanDerWaalsContact C-N 3.26Å; K242-G244 PolarHBondContact O-N 2.91Å; K242-D245 VanDerWaalsContact N-CG 3.32Å; K242-D245 PolarHBondContact N-OD2 3.35Å; K242-D245 VanDerWaalsContact O-CG 3.29Å; K242-D245 PolarHBondContact O-N 3.44Å | ||
| 243 | K | 89.7 | Confident | 70.2 | Confident | 169 Ų | 169 | 104.2 Ų | 104.2 | 74% | 0.735 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 82.4 | 178.5 | 179.5 | -166.8 | 166.3 | -164.9 | 0 | 109.8 | ||
| 244 | G | 87.7 | Confident | 72.6 | Confident | 26 Ų | 26 | 99.3 Ų | 99.3 | 27% | 0.268 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 170.2 | -38.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K242 K256 F257 | K242-G244 VanDerWaalsContact C-N 3.26Å; K242-G244 PolarHBondContact O-N 2.91Å; G244-K256 WeakPolarHBondContact O-CE 3.41Å; G244-K256 PolarHBondContact O-NZ 2.93Å; G244-F257 PolarHBondContact N-O 3.33Å |
| 245 | D | 92.9 | Very high | 75.4 | Confident | 56 Ų | 56 | 98.9 Ų | 98.9 | 30% | 0.299 | 51% | 0.506 | S | S | . | . | trans | -59 | 139.7 | -163.1 | -56.8 | 8.4 | 0 | 0 | 0 | 113.2 | F241 K242 K256 F257 | F241-D245 VanDerWaalsContact CA-OD2 3.24Å; F241-D245 WeakPolarHBondContact CA-OD2 3.43Å; F241-D245 HydrophobicContact CD1-CB 4.34Å; K242-D245 VanDerWaalsContact N-CG 3.32Å; K242-D245 PolarHBondContact N-OD2 3.35Å; K242-D245 VanDerWaalsContact O-CG 3.29Å; K242-D245 PolarHBondContact O-N 3.44Å; D245-K256 CarbonylContact O-C 3.4Å; D245-K256 VanDerWaalsContact O-CA 3.25Å; D245-K256 WeakPolarHBondContact O-CA 3.47Å; D245-F257 PolarHBondContact O-N 3.05Å | ||
| 246 | V | 91.7 | Very high | 78.2 | Confident | 68 Ų | 68 | 97.2 Ų | 97.2 | 41% | 0.412 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 113.6 | -177.9 | 178.2 | 0 | 0 | 0 | 0 | 110 | K255 K256 L265 | V246-K255 CarbonylContact C-O 3.59Å; V246-K255 VanDerWaalsContact CA-O 3.24Å; V246-K255 WeakPolarHBondContact CA-O 3.23Å; V246-K256 HydrophobicContact CG2-CB 4.14Å; V246-K256 HydrophobicContact CG2-CD 4.15Å; V246-K256 HydrophobicContact CG2-CG 4.19Å; V246-L265 HydrophobicContact CG1-CD1 3.77Å; V246-L265 HydrophobicContact CG2-CD1 3.87Å |
| 247 | V | 91 | Very high | 80.9 | Confident | 55 Ų | 55 | 93.3 Ų | 93.3 | 33% | 0.333 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 139.8 | -178.6 | 177.1 | 0 | 0 | 0 | 0 | 110.1 | F241 K255 W262 | F241-V247 HydrophobicContact CD1-CG2 4.39Å; F241-V247 HydrophobicContact CE1-CG2 3.88Å; V247-K255 PolarHBondContact N-O 2.92Å; V247-K255 PolarHBondContact O-N 2.96Å; V247-W262 HydrophobicContact CB-CH2 4.22Å; V247-W262 HydrophobicContact CB-CZ3 4.15Å; V247-W262 HydrophobicContact CG2-CH2 3.63Å; V247-W262 HydrophobicContact CG2-CZ3 3.95Å |
| 248 | K | 90.9 | Very high | 83 | Confident | 122 Ų | 122 | 90.5 Ų | 90.5 | 53% | 0.53 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 124.7 | 166.3 | -70.3 | -179.5 | -173.7 | -167 | 0 | 108.6 | R254 E269 | K248-R254 HydrophobicContact CG-CG 3.96Å; K248-E269 WeakPolarHBondContact CE-OE1 3.45Å; K248-E269 IonicContact NZ-OE1 3.71Å; K248-E269 PolarHBondContact NZ-OE1 2.88Å; K248-E269 IonicContact NZ-OE2 2.7Å; K248-E269 PolarHBondContact NZ-OE2 3.24Å |
| 249 | T | 85.7 | Confident | 85.3 | Confident | 36 Ų | 36 | 85.4 Ų | 85.4 | 22% | 0.221 | 44% | 0.44 | C | S | . | . | trans | -76 | 155.1 | 164.1 | 63.1 | 0 | 0 | 0 | 0 | 109.8 | N251 G252 V253 K255 | T249-N251 PolarHBondContact O-N 3.46Å; T249-N251 VanDerWaalsContact O-N 3.08Å; T249-G252 PolarHBondContact O-N 2.82Å; T249-V253 PolarHBondContact N-O 2.9Å; T249-V253 WeakPolarHBondContact OG1-CB 3.46Å; T249-V253 PolarHBondContact OG1-N 3.45Å; T249-V253 PolarHBondContact OG1-O 2.9Å; T249-K255 HydrophobicContact CG2-CD 4.47Å | ||
| 250 | P | 85.1 | Confident | 86.9 | Confident | 137 Ų | 137 | 86.3 Ų | 86.3 | 89% | 0.89 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48 | -39.5 | 173.6 | -30.2 | 36.4 | 0 | 0 | 0 | 114 | G252 | P250-G252 PolarHBondContact O-N 3.06Š|
| 251 | N | 81 | Confident | 88.1 | Confident | 144 Ų | 144 | 81.2 Ų | 81.2 | 77% | 0.77 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 24.2 | 176.8 | -47.2 | 68.3 | 0 | 0 | 0 | 114.9 | T249 V253 | T249-N251 PolarHBondContact O-N 3.46Å; T249-N251 VanDerWaalsContact O-N 3.08Å; N251-V253 PolarHBondContact O-N 3.16Å |
| 252 | G | 83.3 | Confident | 88.8 | Confident | 45 Ų | 45 | 82 Ų | 82 | 46% | 0.464 | 43% | 0.428 | S | S | . | . | S | Bend | trans | 65.5 | 5.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | T249 P250 R254 S267 | T249-G252 PolarHBondContact O-N 2.82Å; P250-G252 PolarHBondContact O-N 3.06Å; G252-R254 PolarHBondContact O-N 3.06Å; G252-S267 PolarHBondContact O-OG 3.07Å |
| 253 | V | 88.1 | Confident | 89.1 | Confident | 28 Ų | 28 | 79 Ų | 79 | 17% | 0.17 | 41% | 0.412 | C | S | . | . | trans | -81.6 | 118.4 | 178.7 | -175 | 0 | 0 | 0 | 0 | 110.3 | T249 N251 K255 R264 | T249-V253 PolarHBondContact N-O 2.9Å; T249-V253 WeakPolarHBondContact OG1-CB 3.46Å; T249-V253 PolarHBondContact OG1-N 3.45Å; T249-V253 PolarHBondContact OG1-O 2.9Å; N251-V253 PolarHBondContact O-N 3.16Å; V253-K255 HydrophobicContact CG1-CG 4.49Å; V253-R264 HydrophobicContact CG1-CG 4.46Å | ||
| 254 | R | 93.3 | Very high | 89.2 | Confident | 17 Ų | 17 | 76.8 Ų | 76.8 | 6% | 0.064 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 128.8 | 173.3 | -67.1 | 173.1 | 69.4 | -126.8 | -3.6 | 109.6 | K248 G252 L265 C266 R268 E269 C271 | K248-R254 HydrophobicContact CG-CG 3.96Å; G252-R254 PolarHBondContact O-N 3.06Å; R254-L265 HydrophobicContact CB-CB 3.98Å; R254-L265 PolarHBondContact O-N 3.28Å; R254-C266 PolarHBondContact NH1-O 2.97Å; R254-R268 PolarHBondContact NH1-O 2.87Å; R254-R268 VanDerWaalsContact NH1-O 3.07Å; R254-E269 IonicContact NE-OE2 2.57Å; R254-C271 VanDerWaalsContact CZ-O 3.31Å; R254-C271 PolarHBondContact NH1-O 2.62Å; R254-C271 PolarHBondContact NH2-O 3.37Å |
| 255 | K | 93.5 | Very high | 89.6 | Confident | 76 Ų | 76 | 75.8 Ų | 75.8 | 33% | 0.33 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 149.8 | 175.3 | -63.2 | -178.2 | 179.9 | 178.8 | 0 | 110.7 | V246 V247 T249 V253 W262 R263 | V246-K255 CarbonylContact C-O 3.59Å; V246-K255 VanDerWaalsContact CA-O 3.24Å; V246-K255 WeakPolarHBondContact CA-O 3.23Å; V247-K255 PolarHBondContact N-O 2.92Å; V247-K255 PolarHBondContact O-N 2.96Å; T249-K255 HydrophobicContact CG2-CD 4.47Å; V253-K255 HydrophobicContact CG1-CG 4.49Å; K255-W262 HydrophobicContact CB-CE3 3.72Å; K255-W262 HydrophobicContact CB-CZ3 4.23Å; K255-W262 HydrophobicContact CD-CB 4.39Å; K255-W262 HydrophobicContact CD-CE3 4.43Å; K255-R263 CarbonylContact C-O 3.59Å; K255-R263 WeakPolarHBondContact CA-O 3.48Å; K255-R263 WeakPolarHBondContact CB-O 3.36Å |
| 256 | K | 94.1 | Very high | 89.7 | Confident | 74 Ų | 74 | 73.1 Ų | 73.1 | 32% | 0.322 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 134.7 | 171.2 | 176.6 | 161.8 | 175.7 | 132 | 0 | 111.5 | G244 D245 V246 R263 L265 | G244-K256 WeakPolarHBondContact O-CE 3.41Å; G244-K256 PolarHBondContact O-NZ 2.93Å; D245-K256 CarbonylContact O-C 3.4Å; D245-K256 VanDerWaalsContact O-CA 3.25Å; D245-K256 WeakPolarHBondContact O-CA 3.47Å; V246-K256 HydrophobicContact CG2-CB 4.14Å; V246-K256 HydrophobicContact CG2-CD 4.15Å; V246-K256 HydrophobicContact CG2-CG 4.19Å; K256-R263 PolarHBondContact N-O 3.17Å; K256-R263 PolarHBondContact O-N 3.48Å; K256-L265 HydrophobicContact CB-CD1 4.01Å; K256-L265 HydrophobicContact CB-CD2 3.92Å; K256-L265 HydrophobicContact CB-CG 3.84Å |
| 257 | F | 93.3 | Very high | 89.6 | Confident | 42 Ų | 42 | 71.7 Ų | 71.7 | 18% | 0.184 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 129.4 | 173.5 | -167.1 | -119.9 | 0 | 0 | 0 | 111.5 | F241 G244 D245 G259 W262 | F241-F257 HydrophobicContact CB-CB 4.33Å; F241-F257 HydrophobicContact CB-CD1 3.88Å; F241-F257 HydrophobicContact CB-CE1 4.4Å; F241-F257 HydrophobicContact CB-CG 4.15Å; F241-F257 WeakPolarHBondContact O-CD1 3.18Å; F241-F257 WeakPolarHBondContact O-CE1 3.29Å; G244-F257 PolarHBondContact N-O 3.33Å; D245-F257 PolarHBondContact O-N 3.05Å; F257-G259 VanDerWaalsContact CE1-CA 3.43Å; F257-W262 HydrophobicContact CB-CD2 4.36Å; F257-W262 HydrophobicContact CB-CE3 3.98Å; F257-W262 HydrophobicContact CB-CH2 4.11Å; F257-W262 HydrophobicContact CB-CZ2 4.45Å; F257-W262 HydrophobicContact CB-CZ3 3.86Å; F257-W262 HydrophobicContact CD2-CD2 4.04Å; F257-W262 HydrophobicContact CD2-CG 4.27Å; F257-W262 HydrophobicContact CD2-CZ2 4.46Å |
| 258 | N | 85.4 | Confident | 89.5 | Confident | 53 Ų | 53 | 76.6 Ų | 76.6 | 28% | 0.283 | 38% | 0.379 | S | S | . | . | trans | -100.8 | 15 | -178.6 | -168.7 | 81.3 | 0 | 0 | 0 | 113 | K260 Q261 R263 | N258-K260 PolarHBondContact O-N 3.27Å; N258-Q261 PolarHBondContact N-O 3Å; N258-R263 PolarHBondContact ND2-NH2 2.84Å; N258-R263 PolarHBondContact OD1-NH1 3.41Å; N258-R263 PolarHBondContact OD1-NH2 2.84Å | ||
| 259 | G | 86 | Confident | 89.3 | Confident | 40 Ų | 40 | 75.4 Ų | 75.4 | 41% | 0.412 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 71.2 | 15.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | F257 | F257-G259 VanDerWaalsContact CE1-CA 3.43Š|
| 260 | K | 86.7 | Confident | 89.4 | Confident | 163 Ų | 163 | 75.7 Ų | 75.7 | 71% | 0.709 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -154.9 | -38.4 | 176.4 | -74.5 | -158.9 | 174.2 | -163.6 | 0 | 112.5 | N258 | N258-K260 PolarHBondContact O-N 3.27Š|
| 261 | Q | 89 | Confident | 89.7 | Confident | 111 Ų | 111 | 69.8 Ų | 69.8 | 52% | 0.519 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -152.9 | 161 | -177.6 | 61 | 177.9 | -108.3 | 0 | 0 | 110.9 | N258 | N258-Q261 PolarHBondContact N-O 3Š|
| 262 | W | 91 | Very high | 90.1 | Very high | 96 Ų | 96 | 68 Ų | 68 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 126.1 | 171.6 | -70.2 | 100.6 | 0 | 0 | 0 | 111.4 | F241 V247 K255 F257 | F241-W262 HydrophobicContact CB-CH2 4.45Å; F241-W262 HydrophobicContact CB-CZ2 4.39Å; F241-W262 AromaticContact CD1-CH2 3.78Å; F241-W262 HydrophobicContact CD1-CH2 3.78Å; F241-W262 HydrophobicContact CD1-CZ2 4.1Å; F241-W262 HydrophobicContact CD2-CH2 4.24Å; F241-W262 AromaticContact CD2-CZ2 3.7Å; F241-W262 HydrophobicContact CD2-CZ2 3.7Å; F241-W262 HydrophobicContact CE1-CH2 4.03Å; F241-W262 HydrophobicContact CE1-CZ2 4.31Å; F241-W262 HydrophobicContact CE2-CH2 4.46Å; F241-W262 AromaticContact CE2-CZ2 3.93Å; F241-W262 HydrophobicContact CE2-CZ2 3.93Å; F241-W262 AromaticContact CG-CH2 3.89Å; F241-W262 HydrophobicContact CG-CH2 3.89Å; F241-W262 AromaticContact CG-CZ2 3.79Å; F241-W262 HydrophobicContact CG-CZ2 3.79Å; F241-W262 HydrophobicContact CZ-CH2 4.36Å; F241-W262 HydrophobicContact CZ-CZ2 4.23Å; V247-W262 HydrophobicContact CB-CH2 4.22Å; V247-W262 HydrophobicContact CB-CZ3 4.15Å; V247-W262 HydrophobicContact CG2-CH2 3.63Å; V247-W262 HydrophobicContact CG2-CZ3 3.95Å; K255-W262 HydrophobicContact CB-CE3 3.72Å; K255-W262 HydrophobicContact CB-CZ3 4.23Å; K255-W262 HydrophobicContact CD-CB 4.39Å; K255-W262 HydrophobicContact CD-CE3 4.43Å; F257-W262 HydrophobicContact CB-CD2 4.36Å; F257-W262 HydrophobicContact CB-CE3 3.98Å; F257-W262 HydrophobicContact CB-CH2 4.11Å; F257-W262 HydrophobicContact CB-CZ2 4.45Å; F257-W262 HydrophobicContact CB-CZ3 3.86Å; F257-W262 HydrophobicContact CD2-CD2 4.04Å; F257-W262 HydrophobicContact CD2-CG 4.27Å; F257-W262 HydrophobicContact CD2-CZ2 4.46Å |
| 263 | R | 91.4 | Very high | 90.5 | Very high | 100 Ų | 100 | 72.8 Ų | 72.8 | 38% | 0.377 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 156.4 | 170.3 | -75.9 | -144.1 | -161.1 | 96.9 | 4.9 | 111.4 | K255 K256 N258 E274 | K255-R263 CarbonylContact C-O 3.59Å; K255-R263 WeakPolarHBondContact CA-O 3.48Å; K255-R263 WeakPolarHBondContact CB-O 3.36Å; K256-R263 PolarHBondContact N-O 3.17Å; K256-R263 PolarHBondContact O-N 3.48Å; N258-R263 PolarHBondContact ND2-NH2 2.84Å; N258-R263 PolarHBondContact OD1-NH1 3.41Å; N258-R263 PolarHBondContact OD1-NH2 2.84Å; R263-E274 WeakPolarHBondContact CB-OE1 3.41Å; R263-E274 WeakPolarHBondContact CB-OE2 3.27Å; R263-E274 WeakPolarHBondContact CD-OE2 3.37Å |
| 264 | R | 93.1 | Very high | 90.7 | Very high | 124 Ų | 124 | 75.1 Ų | 75.1 | 47% | 0.468 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 113.1 | 177.9 | -72.5 | -174.7 | 69.6 | 165.5 | 2.9 | 109.6 | V253 E274 S275 | V253-R264 HydrophobicContact CG1-CG 4.46Å; R264-E274 PolarHBondContact N-OE1 3.4Å; R264-E274 CarbonylContact O-C 3.51Å; R264-E274 WeakPolarHBondContact O-CA 3.32Å; R264-E274 VanDerWaalsContact O-CD 3.23Å; R264-E274 VanDerWaalsContact O-OE1 3.12Å; R264-S275 PolarHBondContact O-N 2.89Å |
| 265 | L | 94.2 | Very high | 90.6 | Very high | 5 Ų | 5 | 75.3 Ų | 75.3 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -76.7 | 158.6 | 171.2 | -63.4 | -170.3 | 0 | 0 | 0 | 111.1 | V246 R254 K256 S267 T272 | V246-L265 HydrophobicContact CG1-CD1 3.77Å; V246-L265 HydrophobicContact CG2-CD1 3.87Å; R254-L265 HydrophobicContact CB-CB 3.98Å; R254-L265 PolarHBondContact O-N 3.28Å; K256-L265 HydrophobicContact CB-CD1 4.01Å; K256-L265 HydrophobicContact CB-CD2 3.92Å; K256-L265 HydrophobicContact CB-CG 3.84Å; L265-S267 PolarHBondContact O-N 3.28Å; L265-T272 WeakPolarHBondContact CD2-O 3.24Å |
| 266 | C | 95.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 37% | 0.373 | C | S | . | . | trans | -56 | 127.9 | 167.8 | 173.9 | 0 | 0 | 0 | 0 | 111.8 | R254 R268 C271 K273 G279 C281 H284 | R254-C266 PolarHBondContact NH1-O 2.97Å; C266-R268 VanDerWaalsContact C-N 3.3Å; C266-R268 PolarHBondContact O-N 2.82Å; C266-C271 HydrophobicContact CB-CB 3.84Å; C266-C271 VanDerWaalsContact CB-SG 3.54Å; C266-K273 WeakPolarHBondContact CB-O 3.48Å; C266-K273 PolarHBondContact N-O 3.44Å; C266-G279 CarbonylContact C-O 3.58Å; C266-G279 VanDerWaalsContact CA-O 3.3Å; C266-G279 WeakPolarHBondContact CA-O 3.41Å; C266-C281 HydrophobicContact CB-CB 3.95Å; C266-H284 PolarHBondContact SG-ND1 3.07Å | ||
| 267 | S | 90.2 | Very high | 89.8 | Confident | 37 Ų | 37 | 83.1 Ų | 83.1 | 26% | 0.259 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -66 | -23.6 | -179.8 | -76.3 | 0 | 0 | 0 | 0 | 114.3 | G252 L265 E269 G279 | G252-S267 PolarHBondContact O-OG 3.07Å; L265-S267 PolarHBondContact O-N 3.28Å; S267-E269 PolarHBondContact O-N 3.22Å; S267-E269 VanDerWaalsContact O-N 3.17Å; S267-G279 PolarHBondContact N-O 3.08Å |
| 268 | R | 88.8 | Confident | 89.3 | Confident | 158 Ų | 158 | 90.3 Ų | 90.3 | 60% | 0.596 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -57.7 | 121.8 | 169.8 | -173.1 | 69.8 | 176.4 | -165 | 0.6 | 109.6 | R254 C266 C271 F280 | R254-R268 PolarHBondContact NH1-O 2.87Å; R254-R268 VanDerWaalsContact NH1-O 3.07Å; C266-R268 VanDerWaalsContact C-N 3.3Å; C266-R268 PolarHBondContact O-N 2.82Å; R268-C271 WeakPolarHBondContact O-CB 3.29Å; R268-C271 PolarHBondContact O-N 3.11Å; R268-F280 HydrophobicContact CB-CD1 4.28Å; R268-F280 HydrophobicContact CB-CE1 4.12Å |
| 269 | E | 87.1 | Confident | 89.5 | Confident | 98 Ų | 98 | 88.2 Ų | 88.2 | 46% | 0.458 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 150.6 | -178.3 | -72.4 | -60 | 144.9 | 0 | 0 | 112.9 | K248 R254 S267 C271 | K248-E269 WeakPolarHBondContact CE-OE1 3.45Å; K248-E269 IonicContact NZ-OE1 3.71Å; K248-E269 PolarHBondContact NZ-OE1 2.88Å; K248-E269 IonicContact NZ-OE2 2.7Å; K248-E269 PolarHBondContact NZ-OE2 3.24Å; R254-E269 IonicContact NE-OE2 2.57Å; S267-E269 PolarHBondContact O-N 3.22Å; S267-E269 VanDerWaalsContact O-N 3.17Å; E269-C271 PolarHBondContact O-N 2.91Å |
| 270 | G | 86.8 | Confident | 89.8 | Confident | 41 Ų | 41 | 88.5 Ų | 88.5 | 42% | 0.423 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | -23 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 271 | C | 91.8 | Very high | 90.1 | Very high | 14 Ų | 14 | 81 Ų | 81 | 10% | 0.095 | 37% | 0.368 | C | S | . | . | trans | -67.5 | 137.2 | 179 | -167.8 | 0 | 0 | 0 | 0 | 111.9 | R254 C266 R268 E269 | R254-C271 VanDerWaalsContact CZ-O 3.31Å; R254-C271 PolarHBondContact NH1-O 2.62Å; R254-C271 PolarHBondContact NH2-O 3.37Å; C266-C271 HydrophobicContact CB-CB 3.84Å; C266-C271 VanDerWaalsContact CB-SG 3.54Å; R268-C271 WeakPolarHBondContact O-CB 3.29Å; R268-C271 PolarHBondContact O-N 3.11Å; E269-C271 PolarHBondContact O-N 2.91Å | ||
| 272 | T | 90.4 | Very high | 90.2 | Very high | 107 Ų | 107 | 79.2 Ų | 79.2 | 66% | 0.656 | 37% | 0.367 | S | S | * | . | trans | -116.6 | 6.7 | 176.9 | 53.9 | 0 | 0 | 0 | 0 | 113.4 | L265 | L265-T272 WeakPolarHBondContact CD2-O 3.24Š| ||
| 273 | K | 91.7 | Very high | 90.2 | Very high | 145 Ų | 145 | 83.7 Ų | 83.7 | 63% | 0.63 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -82.3 | 152 | 175.4 | -58.3 | -67.8 | -174.2 | 174.8 | 0 | 111.1 | C266 C281 | C266-K273 WeakPolarHBondContact CB-O 3.48Å; C266-K273 PolarHBondContact N-O 3.44Å; K273-C281 HydrophobicContact CB-CB 3.66Å |
| 274 | E | 90.9 | Very high | 90.3 | Very high | 77 Ų | 77 | 80.9 Ų | 80.9 | 36% | 0.36 | 38% | 0.375 | S | S | . | . | B | Isolated β-bridge | trans | -60 | 146.7 | 174.5 | -158.7 | 67.8 | -158.5 | 0 | 0 | 111.8 | R263 R264 C281 | R263-E274 WeakPolarHBondContact CB-OE1 3.41Å; R263-E274 WeakPolarHBondContact CB-OE2 3.27Å; R263-E274 WeakPolarHBondContact CD-OE2 3.37Å; R264-E274 PolarHBondContact N-OE1 3.4Å; R264-E274 CarbonylContact O-C 3.51Å; R264-E274 WeakPolarHBondContact O-CA 3.32Å; R264-E274 VanDerWaalsContact O-CD 3.23Å; R264-E274 VanDerWaalsContact O-OE1 3.12Å; E274-C281 VanDerWaalsContact O-CA 3.24Å; E274-C281 WeakPolarHBondContact O-CA 3.22Å; E274-C281 WeakPolarHBondContact O-CB 3.44Å |
| 275 | S | 92.2 | Very high | 90 | Very high | 20 Ų | 20 | 77.3 Ų | 77.3 | 14% | 0.14 | 37% | 0.365 | C | S | . | . | trans | -80.9 | 111.3 | 170.9 | 152.7 | 0 | 0 | 0 | 0 | 110.6 | R264 G279 F280 | R264-S275 PolarHBondContact O-N 2.89Å; S275-G279 VanDerWaalsContact OG-CA 3.23Å; S275-G279 WeakPolarHBondContact OG-CA 3.24Å; S275-F280 CarbonylContact C-O 3.55Å; S275-F280 WeakPolarHBondContact CA-O 3.32Å | ||
| 276 | Q | 86.6 | Confident | 89.7 | Confident | 119 Ų | 119 | 80.8 Ų | 80.8 | 56% | 0.556 | 39% | 0.39 | S | S | * | . | trans | -71.3 | -55.4 | 170.9 | -83.5 | 103.8 | -26.9 | 0 | 0 | 112.6 | F280 C281 | Q276-F280 PolarHBondContact N-O 3.37Å; Q276-C281 VanDerWaalsContact OE1-CA 3.25Å | ||
| 277 | R | 84.7 | Confident | 89.2 | Confident | 195 Ų | 195 | 85.8 Ų | 85.8 | 74% | 0.736 | 42% | 0.415 | S | S | * | . | B | Isolated β-bridge | trans | -148 | 155.3 | -176.7 | -63.7 | -171.2 | -178.6 | -147.2 | 1.9 | 110.6 | G279 F280 L285 | R277-G279 PolarHBondContact O-N 3.44Å; R277-F280 PolarHBondContact N-O 3.31Å; R277-F280 PolarHBondContact O-N 3.09Å; R277-L285 HydrophobicContact CB-CD2 3.96Å |
| 278 | R | 82.6 | Confident | 88.9 | Confident | 194 Ų | 194 | 87.6 Ų | 87.6 | 73% | 0.732 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 22.1 | -179.2 | -66.1 | -177.4 | 172 | 174.3 | -5 | 115.1 | F280 L285 M292 | R278-F280 VanDerWaalsContact O-CD2 3.28Å; R278-F280 WeakPolarHBondContact O-CD2 3.25Å; R278-L285 HydrophobicContact CB-CD1 4.31Å; R278-M292 PolarHBondContact NH1-SD 3.3Å |
| 279 | G | 89.1 | Confident | 88.5 | Confident | 9 Ų | 9 | 81.4 Ų | 81.4 | 9% | 0.093 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 4.1 | -177 | 0 | 0 | 0 | 0 | 0 | 115.3 | C266 S267 S275 R277 | C266-G279 CarbonylContact C-O 3.58Å; C266-G279 VanDerWaalsContact CA-O 3.3Å; C266-G279 WeakPolarHBondContact CA-O 3.41Å; S267-G279 PolarHBondContact N-O 3.08Å; S275-G279 VanDerWaalsContact OG-CA 3.23Å; S275-G279 WeakPolarHBondContact OG-CA 3.24Å; R277-G279 PolarHBondContact O-N 3.44Å |
| 280 | F | 91.4 | Very high | 88.1 | Confident | 46 Ų | 46 | 83.6 Ų | 83.6 | 20% | 0.202 | 41% | 0.411 | C | S | . | . | B | Isolated β-bridge | trans | -117.7 | 148.5 | -176.8 | -64.6 | -82.2 | 0 | 0 | 0 | 112.8 | R268 S275 Q276 R277 R278 H284 L285 K288 | R268-F280 HydrophobicContact CB-CD1 4.28Å; R268-F280 HydrophobicContact CB-CE1 4.12Å; S275-F280 CarbonylContact C-O 3.55Å; S275-F280 WeakPolarHBondContact CA-O 3.32Å; Q276-F280 PolarHBondContact N-O 3.37Å; R277-F280 PolarHBondContact N-O 3.31Å; R277-F280 PolarHBondContact O-N 3.09Å; R278-F280 VanDerWaalsContact O-CD2 3.28Å; R278-F280 WeakPolarHBondContact O-CD2 3.25Å; F280-H284 HydrophobicContact CB-CB 4.2Å; F280-H284 HydrophobicContact CD1-CB 3.85Å; F280-H284 HydrophobicContact CG-CB 4.42Å; F280-L285 HydrophobicContact CB-CB 4.02Å; F280-L285 HydrophobicContact CB-CD1 4.44Å; F280-K288 HydrophobicContact CE2-CG 4.48Å |
| 281 | C | 94.5 | Very high | 87.5 | Confident | 5 Ų | 5 | 85.9 Ų | 85.9 | 3% | 0.034 | 41% | 0.411 | C | S | . | . | trans | -75.5 | 158.2 | 167.3 | 66.3 | 0 | 0 | 0 | 0 | 110.6 | C266 K273 E274 Q276 R283 H284 L285 | C266-C281 HydrophobicContact CB-CB 3.95Å; K273-C281 HydrophobicContact CB-CB 3.66Å; E274-C281 VanDerWaalsContact O-CA 3.24Å; E274-C281 WeakPolarHBondContact O-CA 3.22Å; E274-C281 WeakPolarHBondContact O-CB 3.44Å; Q276-C281 VanDerWaalsContact OE1-CA 3.25Å; C281-R283 VanDerWaalsContact C-N 3.34Å; C281-R283 PolarHBondContact O-N 3.04Å; C281-R283 VanDerWaalsContact O-N 3.09Å; C281-H284 CarbonylContact O-C 3.54Å; C281-H284 PolarHBondContact O-N 3.19Å; C281-H284 PolarHBondContact SG-ND1 3.15Å; C281-L285 WeakPolarHBondContact O-CB 3.44Å; C281-L285 PolarHBondContact O-N 3.29Å | ||
| 282 | S | 90.3 | Very high | 86.6 | Confident | 73 Ų | 73 | 89.6 Ų | 89.6 | 51% | 0.51 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -43 | -49.5 | -175.7 | 53.1 | 0 | 0 | 0 | 0 | 114.9 | L285 S286 | S282-L285 PolarHBondContact O-N 3.09Å; S282-S286 WeakPolarHBondContact O-CB 3.16Å; S282-S286 PolarHBondContact O-N 3.07Å |
| 283 | R | 91.9 | Very high | 85.9 | Confident | 190 Ų | 190 | 93 Ų | 93 | 72% | 0.717 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -56.9 | -53.9 | 176.5 | -176.2 | 172.7 | 176.9 | 131.1 | -1.5 | 112.4 | C281 S286 M287 | C281-R283 VanDerWaalsContact C-N 3.34Å; C281-R283 PolarHBondContact O-N 3.04Å; C281-R283 VanDerWaalsContact O-N 3.09Å; R283-S286 PolarHBondContact O-N 3.46Å; R283-M287 HydrophobicContact CG-SD 4.16Å; R283-M287 VanDerWaalsContact O-CG 3.31Å; R283-M287 WeakPolarHBondContact O-CG 3.2Å; R283-M287 PolarHBondContact O-N 3.22Å |
| 284 | H | 92.9 | Very high | 85.1 | Confident | 41 Ų | 41 | 91 Ų | 91 | 19% | 0.19 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -72.7 | -25.9 | 179.7 | -63.3 | 125.7 | 0 | 0 | 0 | 113.5 | C266 F280 C281 K288 | C266-H284 PolarHBondContact SG-ND1 3.07Å; F280-H284 HydrophobicContact CB-CB 4.2Å; F280-H284 HydrophobicContact CD1-CB 3.85Å; F280-H284 HydrophobicContact CG-CB 4.42Å; C281-H284 CarbonylContact O-C 3.54Å; C281-H284 PolarHBondContact O-N 3.19Å; C281-H284 PolarHBondContact SG-ND1 3.15Å; H284-K288 WeakPolarHBondContact O-CB 3.27Å; H284-K288 PolarHBondContact O-N 2.92Å |
| 285 | L | 87.7 | Confident | 84.4 | Confident | 50 Ų | 50 | 93.3 Ų | 93.3 | 26% | 0.262 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -70.1 | -37.9 | 172.5 | -174.4 | 64.4 | 0 | 0 | 0 | 111 | R277 R278 F280 C281 S282 G289 | R277-L285 HydrophobicContact CB-CD2 3.96Å; R278-L285 HydrophobicContact CB-CD1 4.31Å; F280-L285 HydrophobicContact CB-CB 4.02Å; F280-L285 HydrophobicContact CB-CD1 4.44Å; C281-L285 WeakPolarHBondContact O-CB 3.44Å; C281-L285 PolarHBondContact O-N 3.29Å; S282-L285 PolarHBondContact O-N 3.09Å; L285-G289 PolarHBondContact O-N 3.45Å |
| 286 | S | 87.9 | Confident | 83.7 | Confident | 78 Ų | 78 | 94.2 Ų | 94.2 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.3 | -45.6 | 171 | -173.2 | 0 | 0 | 0 | 0 | 111.6 | S282 R283 G289 K290 | S282-S286 WeakPolarHBondContact O-CB 3.16Å; S282-S286 PolarHBondContact O-N 3.07Å; R283-S286 PolarHBondContact O-N 3.46Å; S286-G289 CarbonylContact O-C 3.52Å; S286-G289 PolarHBondContact O-N 2.98Å; S286-G289 VanDerWaalsContact O-N 3.16Å; S286-K290 PolarHBondContact O-N 3.26Å |
| 287 | M | 84.4 | Confident | 83.2 | Confident | 105 Ų | 105 | 96.8 Ų | 96.8 | 52% | 0.517 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.9 | -49.7 | 176 | -67.5 | 171.6 | 76 | 0 | 0 | 111.2 | R283 G289 K290 E291 | R283-M287 HydrophobicContact CG-SD 4.16Å; R283-M287 VanDerWaalsContact O-CG 3.31Å; R283-M287 WeakPolarHBondContact O-CG 3.2Å; R283-M287 PolarHBondContact O-N 3.22Å; M287-G289 PolarHBondContact O-N 3.5Å; M287-K290 PolarHBondContact O-N 3.31Å; M287-K290 VanDerWaalsContact O-N 3.08Å; M287-E291 PolarHBondContact O-N 3.01Å |
| 288 | K | 83.4 | Confident | 82.8 | Confident | 75 Ų | 75 | 90 Ų | 90 | 33% | 0.326 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.6 | -22.6 | 175.6 | -165.6 | 56.6 | 164.8 | -176.9 | 0 | 112.6 | F280 H284 E291 M292 | F280-K288 HydrophobicContact CE2-CG 4.48Å; H284-K288 WeakPolarHBondContact O-CB 3.27Å; H284-K288 PolarHBondContact O-N 2.92Å; K288-E291 HydrophobicContact CD-CB 4.29Å; K288-E291 WeakPolarHBondContact CD-OE2 3.32Å; K288-E291 IonicContact NZ-OE1 3.08Å; K288-E291 PolarHBondContact NZ-OE1 3.44Å; K288-E291 IonicContact NZ-OE2 3.91Å; K288-E291 PolarHBondContact NZ-OE2 3.14Å; K288-M292 WeakPolarHBondContact O-CB 3.22Å; K288-M292 PolarHBondContact O-N 2.96Å |
| 289 | G | 81.3 | Confident | 82.7 | Confident | 28 Ų | 28 | 83.5 Ų | 83.5 | 29% | 0.289 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -82.6 | -18.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L285 S286 M287 R293 | L285-G289 PolarHBondContact O-N 3.45Å; S286-G289 CarbonylContact O-C 3.52Å; S286-G289 PolarHBondContact O-N 2.98Å; S286-G289 VanDerWaalsContact O-N 3.16Å; M287-G289 PolarHBondContact O-N 3.5Å; G289-R293 PolarHBondContact O-NE 2.91Å |
| 290 | K | 77.5 | Confident | 82.2 | Confident | 144 Ų | 144 | 85.4 Ų | 85.4 | 63% | 0.626 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -77.5 | -51.7 | 160.6 | -73.3 | -165.6 | 173.7 | -166.4 | 0 | 109.4 | S286 M287 M292 R293 V294 | S286-K290 PolarHBondContact O-N 3.26Å; M287-K290 PolarHBondContact O-N 3.31Å; M287-K290 VanDerWaalsContact O-N 3.08Å; K290-M292 VanDerWaalsContact C-N 3.32Å; K290-M292 PolarHBondContact O-N 3.17Å; K290-R293 WeakPolarHBondContact O-CA 3.38Å; K290-R293 WeakPolarHBondContact O-CB 2.76Å; K290-R293 PolarHBondContact O-N 2.95Å; K290-V294 PolarHBondContact O-N 3.08Å |
| 291 | E | 75.5 | Confident | 81.5 | Confident | 88 Ų | 88 | 86.1 Ų | 86.1 | 41% | 0.411 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -54.3 | -44.3 | 178.7 | -160.4 | -155.5 | 128.5 | 0 | 0 | 112.6 | M287 K288 R293 V294 M295 | M287-E291 PolarHBondContact O-N 3.01Å; K288-E291 HydrophobicContact CD-CB 4.29Å; K288-E291 WeakPolarHBondContact CD-OE2 3.32Å; K288-E291 IonicContact NZ-OE1 3.08Å; K288-E291 PolarHBondContact NZ-OE1 3.44Å; K288-E291 IonicContact NZ-OE2 3.91Å; K288-E291 PolarHBondContact NZ-OE2 3.14Å; E291-R293 VanDerWaalsContact C-N 3.31Å; E291-R293 PolarHBondContact O-N 2.8Å; E291-V294 PolarHBondContact O-N 3.19Å; E291-M295 WeakPolarHBondContact O-CB 3.43Å; E291-M295 PolarHBondContact O-N 2.8Å |
| 292 | M | 71.4 | Confident | 80.5 | Confident | 93 Ų | 93 | 88.4 Ų | 88.4 | 46% | 0.458 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.9 | -23 | 177 | -177.7 | 173.9 | -72.7 | 0 | 0 | 113.7 | R278 K288 K290 G296 | R278-M292 PolarHBondContact NH1-SD 3.3Å; K288-M292 WeakPolarHBondContact O-CB 3.22Å; K288-M292 PolarHBondContact O-N 2.96Å; K290-M292 VanDerWaalsContact C-N 3.32Å; K290-M292 PolarHBondContact O-N 3.17Å; M292-G296 PolarHBondContact O-N 3Å |
| 293 | R | 77.2 | Confident | 79.8 | Confident | 178 Ų | 178 | 87.8 Ų | 87.8 | 67% | 0.672 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -79.7 | -39.2 | 170.8 | -82.4 | -172.3 | -71.1 | 165.3 | -3.9 | 111.7 | G289 K290 E291 G296 Y297 | G289-R293 PolarHBondContact O-NE 2.91Å; K290-R293 WeakPolarHBondContact O-CA 3.38Å; K290-R293 WeakPolarHBondContact O-CB 2.76Å; K290-R293 PolarHBondContact O-N 2.95Å; E291-R293 VanDerWaalsContact C-N 3.31Å; E291-R293 PolarHBondContact O-N 2.8Å; R293-G296 PolarHBondContact O-N 3.11Å; R293-Y297 WeakPolarHBondContact O-CB 3.41Å; R293-Y297 PolarHBondContact O-N 2.67Å |
| 294 | V | 74.8 | Confident | 78.4 | Confident | 104 Ų | 104 | 84.1 Ų | 84.1 | 63% | 0.63 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.2 | -47.8 | 172.2 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | K290 E291 G296 Y297 A298 | K290-V294 PolarHBondContact O-N 3.08Å; E291-V294 PolarHBondContact O-N 3.19Å; V294-G296 VanDerWaalsContact C-N 3.34Å; V294-G296 PolarHBondContact O-N 3.01Å; V294-Y297 PolarHBondContact O-N 3.37Å; V294-A298 WeakPolarHBondContact O-CB 3.39Å; V294-A298 PolarHBondContact O-N 3.46Å |
| 295 | M | 74.4 | Confident | 77 | Confident | 125 Ų | 125 | 85.7 Ų | 85.7 | 62% | 0.616 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.4 | -36.7 | 175.6 | -165.8 | 68.7 | 72.8 | 0 | 0 | 112.3 | E291 A299 | E291-M295 WeakPolarHBondContact O-CB 3.43Å; E291-M295 PolarHBondContact O-N 2.8Å; M295-A299 WeakPolarHBondContact O-CB 3.32Å; M295-A299 PolarHBondContact O-N 3.28Å |
| 296 | G | 79.1 | Confident | 75.6 | Confident | 39 Ų | 39 | 87.3 Ų | 87.3 | 40% | 0.402 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.9 | -37.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | M292 R293 V294 A300 | M292-G296 PolarHBondContact O-N 3Å; R293-G296 PolarHBondContact O-N 3.11Å; V294-G296 VanDerWaalsContact C-N 3.34Å; V294-G296 PolarHBondContact O-N 3.01Å; G296-A300 WeakPolarHBondContact O-CB 3.41Å; G296-A300 PolarHBondContact O-N 3.06Å |
| 297 | Y | 75.5 | Confident | 74 | Confident | 172 Ų | 172 | 87.6 Ų | 87.6 | 68% | 0.675 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.1 | -46.6 | 173.9 | -169.8 | -94.5 | 0 | 0 | 0 | 111 | R293 V294 A299 A300 V301 | R293-Y297 WeakPolarHBondContact O-CB 3.41Å; R293-Y297 PolarHBondContact O-N 2.67Å; V294-Y297 PolarHBondContact O-N 3.37Å; Y297-A299 VanDerWaalsContact C-N 3.31Å; Y297-A299 PolarHBondContact O-N 3.45Å; Y297-A300 PolarHBondContact O-N 2.88Å; Y297-A300 VanDerWaalsContact O-N 3.12Å; Y297-V301 HydrophobicContact CD1-CG2 3.96Å; Y297-V301 HydrophobicContact CE1-CG2 3.68Å; Y297-V301 WeakPolarHBondContact O-CG2 3.2Å; Y297-V301 PolarHBondContact O-N 3.27Å |
| 298 | A | 77 | Confident | 72.1 | Confident | 52 Ų | 52 | 90.5 Ų | 90.5 | 43% | 0.43 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60 | -39.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V294 A302 | V294-A298 WeakPolarHBondContact O-CB 3.39Å; V294-A298 PolarHBondContact O-N 3.46Å; A298-A302 WeakPolarHBondContact O-CB 3.42Å; A298-A302 PolarHBondContact O-N 3.13Å |
| 299 | A | 79.6 | Confident | 69.8 | Low | 58 Ų | 58 | 90.7 Ų | 90.7 | 48% | 0.479 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.1 | -33.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | M295 Y297 A303 | M295-A299 WeakPolarHBondContact O-CB 3.32Å; M295-A299 PolarHBondContact O-N 3.28Å; Y297-A299 VanDerWaalsContact C-N 3.31Å; Y297-A299 PolarHBondContact O-N 3.45Å; A299-A303 VanDerWaalsContact O-CB 3.25Å; A299-A303 WeakPolarHBondContact O-CB 3.5Å; A299-A303 PolarHBondContact O-N 2.89Å |
| 300 | A | 77.8 | Confident | 67.7 | Low | 49 Ų | 49 | 97.6 Ų | 97.6 | 41% | 0.405 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.9 | -45.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | G296 Y297 A303 L304 | G296-A300 WeakPolarHBondContact O-CB 3.41Å; G296-A300 PolarHBondContact O-N 3.06Å; Y297-A300 PolarHBondContact O-N 2.88Å; Y297-A300 VanDerWaalsContact O-N 3.12Å; A300-A303 PolarHBondContact O-N 3.36Å; A300-L304 VanDerWaalsContact O-CG 3.29Å; A300-L304 WeakPolarHBondContact O-CG 3.41Å; A300-L304 PolarHBondContact O-N 2.93Å |
| 301 | V | 76.7 | Confident | 65.7 | Low | 61 Ų | 61 | 101.3 Ų | 101.3 | 37% | 0.37 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.5 | -47.3 | 173 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | Y297 A303 L304 S305 | Y297-V301 HydrophobicContact CD1-CG2 3.96Å; Y297-V301 HydrophobicContact CE1-CG2 3.68Å; Y297-V301 WeakPolarHBondContact O-CG2 3.2Å; Y297-V301 PolarHBondContact O-N 3.27Å; V301-A303 VanDerWaalsContact C-N 3.29Å; V301-A303 PolarHBondContact O-N 3.28Å; V301-L304 PolarHBondContact O-N 3.01Å; V301-L304 VanDerWaalsContact O-N 3.16Å; V301-S305 PolarHBondContact O-N 3.45Å; V301-S305 PolarHBondContact O-OG 3.42Å |
| 302 | A | 75.1 | Confident | 63.6 | Low | 53 Ų | 53 | 103.2 Ų | 103.2 | 44% | 0.438 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.8 | -35.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | A298 S306 | A298-A302 WeakPolarHBondContact O-CB 3.42Å; A298-A302 PolarHBondContact O-N 3.13Å; A302-S306 WeakPolarHBondContact O-CB 3.36Å; A302-S306 PolarHBondContact O-N 2.82Å; A302-S306 PolarHBondContact O-OG 3.39Å |
| 303 | A | 74.8 | Confident | 61.9 | Low | 61 Ų | 61 | 105.2 Ų | 105.2 | 50% | 0.504 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -69.5 | -38.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A299 A300 V301 S306 S307 | A299-A303 VanDerWaalsContact O-CB 3.25Å; A299-A303 WeakPolarHBondContact O-CB 3.5Å; A299-A303 PolarHBondContact O-N 2.89Å; A300-A303 PolarHBondContact O-N 3.36Å; V301-A303 VanDerWaalsContact C-N 3.29Å; V301-A303 PolarHBondContact O-N 3.28Å; A303-S306 PolarHBondContact O-N 2.99Å; A303-S307 PolarHBondContact O-N 3.44Å; A303-S307 VanDerWaalsContact O-N 3.11Å |
| 304 | L | 63.5 | Low | 59.8 | Low | 113 Ų | 113 | 102.3 Ų | 102.3 | 59% | 0.592 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.9 | -52.4 | 174.2 | -71 | 164 | 0 | 0 | 0 | 110.7 | A300 V301 S306 S307 | A300-L304 VanDerWaalsContact O-CG 3.29Å; A300-L304 WeakPolarHBondContact O-CG 3.41Å; A300-L304 PolarHBondContact O-N 2.93Å; V301-L304 PolarHBondContact O-N 3.01Å; V301-L304 VanDerWaalsContact O-N 3.16Å; L304-S306 PolarHBondContact O-N 3.23Å; L304-S307 WeakPolarHBondContact O-CA 3.22Å; L304-S307 WeakPolarHBondContact O-CB 3.22Å; L304-S307 PolarHBondContact O-N 3.17Å; L304-S307 PolarHBondContact O-OG 2.88Å |
| 305 | S | 62.6 | Low | 57.8 | Low | 74 Ų | 74 | 100.6 Ų | 100.6 | 52% | 0.517 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.1 | -20.3 | 175 | -55.7 | 0 | 0 | 0 | 0 | 113.8 | V301 | V301-S305 PolarHBondContact O-N 3.45Å; V301-S305 PolarHBondContact O-OG 3.42Å |
| 306 | S | 58.2 | Low | 56 | Low | 83 Ų | 83 | 102.2 Ų | 102.2 | 58% | 0.58 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -79.9 | -19.9 | 169.5 | -61.1 | 0 | 0 | 0 | 0 | 113 | A302 A303 L304 S309 | A302-S306 WeakPolarHBondContact O-CB 3.36Å; A302-S306 PolarHBondContact O-N 2.82Å; A302-S306 PolarHBondContact O-OG 3.39Å; A303-S306 PolarHBondContact O-N 2.99Å; L304-S306 PolarHBondContact O-N 3.23Å; S306-S309 PolarHBondContact O-OG 3.4Å |
| 307 | S | 53.8 | Low | 54 | Low | 85 Ų | 85 | 106 Ų | 106 | 59% | 0.594 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -82.4 | -16.8 | 179.9 | 69.1 | 0 | 0 | 0 | 0 | 113.7 | A303 L304 S309 | A303-S307 PolarHBondContact O-N 3.44Å; A303-S307 VanDerWaalsContact O-N 3.11Å; L304-S307 WeakPolarHBondContact O-CA 3.22Å; L304-S307 WeakPolarHBondContact O-CB 3.22Å; L304-S307 PolarHBondContact O-N 3.17Å; L304-S307 PolarHBondContact O-OG 2.88Å; S307-S309 PolarHBondContact O-N 3.23Å |
| 308 | E | 44 | Very low | 52.2 | Low | 166 Ų | 166 | 108.6 Ų | 108.6 | 78% | 0.776 | 65% | 0.645 | S | S | * | * | trans | -79.3 | 54.6 | 172.7 | -63.2 | -179 | 130 | 0 | 0 | 112 | ||||
| 309 | S | 36.9 | Very low | 50.3 | Low | 78 Ų | 78 | 113.8 Ų | 113.8 | 55% | 0.545 | 66% | 0.66 | S | S | . | * | trans | -145.9 | 35.3 | -177.1 | 65 | 0 | 0 | 0 | 0 | 115.9 | S306 S307 | S306-S309 PolarHBondContact O-OG 3.4Å; S307-S309 PolarHBondContact O-N 3.23Å | ||
| 310 | K | 36.8 | Very low | 48.2 | Very low | 174 Ų | 174 | 118.4 Ų | 118.4 | 76% | 0.757 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -150.3 | 154.7 | 158 | -92.4 | 108.3 | -162.2 | 165.6 | 0 | 110.6 | ||
| 311 | Y | 34.5 | Very low | 46.1 | Very low | 222 Ų | 222 | 119.7 Ų | 119.7 | 87% | 0.871 | 70% | 0.695 | S | S | * | * | trans | 68.2 | 53.5 | 179.3 | -53.2 | -76.1 | 0 | 0 | 0 | 116.4 | ||||
| 312 | S | 31.1 | Very low | 44.2 | Very low | 127 Ų | 127 | 122 Ų | 122 | 89% | 0.888 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 126.9 | 148.1 | -61.4 | 0 | 0 | 0 | 0 | 109.2 | ||
| 313 | T | 37.4 | Very low | 42.4 | Very low | 135 Ų | 135 | 124.8 Ų | 124.8 | 83% | 0.828 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 148.2 | -176 | -56.8 | 0 | 0 | 0 | 0 | 113 | ||
| 314 | S | 32.1 | Very low | 40.6 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 134.3 | 175.8 | 53.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 315 | G | 33.3 | Very low | 39.5 | Very low | 69 Ų | 69 | 132.5 Ų | 132.5 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | 122.4 | 156.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 316 | I | 36.3 | Very low | 38.4 | Very low | 158 Ų | 158 | 138.5 Ų | 138.5 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | cis | -145.2 | 140.1 | -5.5 | -59.5 | -177 | 0 | 0 | 0 | 107 | ||||
| 317 | P | 37 | Very low | 37.3 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | -71.8 | 152.2 | 173.8 | 31 | -35.9 | 0 | 0 | 0 | 112.5 | ||||
| 318 | R | 36.7 | Very low | 36.1 | Very low | 227 Ų | 227 | 141.5 Ų | 141.5 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | -121.4 | 151.1 | 166.5 | -98.8 | 175.6 | 60.8 | 161.6 | -3.3 | 109.7 | ||||
| 319 | E | 37.4 | Very low | 35.4 | Very low | 160 Ų | 160 | 137.5 Ų | 137.5 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | 69.5 | 117.4 | -174.8 | -60.1 | 172.5 | -142.7 | 0 | 0 | 112.2 | ||||
| 320 | N | 35.7 | Very low | 35.1 | Very low | 156 Ų | 156 | 142.7 Ų | 142.7 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | cis | -145.3 | 157.6 | 6.9 | -80.4 | -50 | 0 | 0 | 0 | 111.9 | ||||
| 321 | G | 33.3 | Very low | 34.7 | Very low | 75 Ų | 75 | 139.9 Ų | 139.9 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | 125.1 | 97.8 | 153.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 322 | S | 38 | Very low | 34.4 | Very low | 111 Ų | 111 | 134 Ų | 134 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | 57.1 | 119.3 | 143.9 | -80.5 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 323 | N | 37.9 | Very low | 34.3 | Very low | 111 Ų | 111 | 135 Ų | 135 | 59% | 0.594 | 77% | 0.769 | S | S | * | * | trans | 76.8 | 114.9 | 132.7 | -70.8 | -43.6 | 0 | 0 | 0 | 122.8 | ||||
| 324 | R | 37 | Very low | 34 | Very low | 206 Ų | 206 | 131.6 Ų | 131.6 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | 62.6 | 140.6 | 124.8 | -57.7 | 172.2 | -154.5 | -157 | 2.1 | 118.3 | |||||
| 325 | N | 39.7 | Very low | 33.9 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | cis | -162.8 | 168.5 | -2 | -113 | -18.3 | 0 | 0 | 0 | 110.3 | ||||
| 326 | K | 39 | Very low | 33.8 | Very low | 200 Ų | 200 | 137.3 Ų | 137.3 | 87% | 0.87 | 76% | 0.764 | S | S | * | * | trans | -0.9 | 143.2 | 153.2 | -49.2 | 172.3 | -177 | -179.4 | 0 | 118.2 | ||||
| 327 | G | 34.5 | Very low | 33.4 | Very low | 70 Ų | 70 | 135.2 Ų | 135.2 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | cis | 151.2 | 168.5 | 0.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 328 | N | 30.4 | Very low | 33 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | trans | 56.5 | 103.8 | 162.8 | -69.1 | 20.3 | 0 | 0 | 0 | 122.3 | ||||
| 329 | S | 28.9 | Very low | 32.7 | Very low | 82 Ų | 82 | 128.6 Ų | 128.6 | 57% | 0.573 | 75% | 0.754 | S | S | * | * | 81.2 | 151.2 | 111.2 | -149.7 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 330 | F | 29.5 | Very low | 32.8 | Very low | 186 Ų | 186 | 127.5 Ų | 127.5 | 82% | 0.816 | 76% | 0.759 | S | S | * | * | trans | 69.7 | 147 | 164.6 | -53 | -53.9 | 0 | 0 | 0 | 116.5 | ||||
| 331 | T | 28.3 | Very low | 32.7 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 71% | 0.712 | 75% | 0.745 | S | S | * | * | cis | -158.1 | 145.4 | -2 | 4.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 332 | S | 28.3 | Very low | 32.7 | Very low | 97 Ų | 97 | 123.6 Ų | 123.6 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | trans | 41.5 | 145.7 | 138.1 | -49.5 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 333 | T | 30.3 | Very low | 32.5 | Very low | 149 Ų | 149 | 121.1 Ų | 121.1 | 91% | 0.914 | 71% | 0.708 | S | S | * | * | trans | 87 | 151.8 | 154.5 | 73.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 334 | G | 29.7 | Very low | 32.1 | Very low | 64 Ų | 64 | 124 Ų | 124 | 66% | 0.66 | 72% | 0.722 | S | S | * | * | trans | 97.2 | 112.3 | -176 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 335 | L | 31.2 | Very low | 31.9 | Very low | 163 Ų | 163 | 120.4 Ų | 120.4 | 85% | 0.853 | 72% | 0.718 | S | S | * | * | 62.4 | 124.1 | 53.2 | -56.3 | 177 | 0 | 0 | 0 | 111.9 | |||||
| 336 | L | 29.9 | Very low | 31.6 | Very low | 143 Ų | 143 | 120.7 Ų | 120.7 | 75% | 0.749 | 72% | 0.724 | S | S | * | * | cis | -157.8 | 160.5 | 6.9 | -97.4 | 147.6 | 0 | 0 | 0 | 110.3 | ||||
| 337 | S | 28.6 | Very low | 31.4 | Very low | 113 Ų | 113 | 116.7 Ų | 116.7 | 79% | 0.79 | 72% | 0.719 | S | S | * | * | trans | 63.5 | 151.5 | 158.9 | -72.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 338 | S | 29.2 | Very low | 31.2 | Very low | 97 Ų | 97 | 118.4 Ų | 118.4 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | cis | -161.8 | 163.3 | -13 | 49.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 339 | S | 30.4 | Very low | 31.2 | Very low | 110 Ų | 110 | 117.4 Ų | 117.4 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | trans | 58.4 | 92 | 151.7 | 56.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 340 | T | 38.5 | Very low | 31.4 | Very low | 138 Ų | 138 | 122.8 Ų | 122.8 | 85% | 0.847 | 73% | 0.726 | S | S | * | * | trans | -80.6 | 159.8 | 143.1 | 55.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 341 | P | 35.2 | Very low | 31.8 | Very low | 84 Ų | 84 | 117.3 Ų | 117.3 | 55% | 0.545 | 72% | 0.716 | S | S | . | * | -147.1 | 162.6 | 95.1 | 37.8 | -20.8 | 0 | 0 | 0 | 117.1 | K1155 S1156 | P341-K1155 WeakPolarHBondContact CB-O 3.22Å; P341-S1156 CarbonylContact C-O 3.26Å; P341-S1156 WeakPolarHBondContact CB-O 3.26Å | |||
| 342 | S | 32.6 | Very low | 32.2 | Very low | 65 Ų | 65 | 118 Ų | 118 | 46% | 0.455 | 72% | 0.722 | S | S | . | * | trans | -24.6 | -165.1 | 171.6 | -18.1 | 0 | 0 | 0 | 0 | 121.8 | K1155 S1156 T1157 | S342-K1155 WeakPolarHBondContact OG-CA 3.46Å; S342-K1155 PolarHBondContact OG-N 3.43Å; S342-K1155 PolarHBondContact OG-O 2.7Å; S342-S1156 CarbonylContact C-O 3.58Å; S342-S1156 WeakPolarHBondContact CA-O 3.42Å; S342-S1156 WeakPolarHBondContact CB-O 3.34Å; S342-S1156 PolarHBondContact N-O 2.67Å; S342-S1156 CarbonylContact O-C 3.37Å; S342-S1156 PolarHBondContact OG-O 3.08Å; S342-T1157 VanDerWaalsContact C-N 3.25Å; S342-T1157 PolarHBondContact O-N 3.28Å | ||
| 343 | L | 33.2 | Very low | 32.5 | Very low | 58 Ų | 58 | 120 Ų | 120 | 30% | 0.304 | 72% | 0.716 | S | S | . | * | cis | -125.6 | 136.4 | 20.3 | -90.6 | 163.3 | 0 | 0 | 0 | 114.8 | L345 P1158 | L343-L345 HydrophobicContact CD1-CD1 4.26Å; L343-L345 HydrophobicContact CD2-CD1 4.16Å; L343-P1158 HydrophobicContact CD1-CB 4.4Å | ||
| 344 | L | 29 | Very low | 32.9 | Very low | 172 Ų | 172 | 122 Ų | 122 | 90% | 0.901 | 71% | 0.712 | S | S | * | * | trans | -66.6 | 133.7 | 134.1 | 51.1 | 67.9 | 0 | 0 | 0 | 112.1 | ||||
| 345 | L | 34.3 | Very low | 33.2 | Very low | 130 Ų | 130 | 125.7 Ų | 125.7 | 68% | 0.681 | 72% | 0.716 | S | S | * | * | trans | -137 | 86.8 | 172.3 | -154.4 | 80 | 0 | 0 | 0 | 114.7 | L343 | L343-L345 HydrophobicContact CD1-CD1 4.26Å; L343-L345 HydrophobicContact CD2-CD1 4.16Å | ||
| 346 | T | 32.7 | Very low | 33.6 | Very low | 136 Ų | 136 | 123.6 Ų | 123.6 | 83% | 0.834 | 71% | 0.71 | S | S | * | * | trans | -83.5 | 140.6 | 154.7 | 51.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 347 | P | 35 | Very low | 34 | Very low | 117 Ų | 117 | 121.5 Ų | 121.5 | 76% | 0.76 | 71% | 0.705 | S | S | * | * | -142.5 | 156 | 124.2 | 37.3 | -25.4 | 0 | 0 | 0 | 114.5 | |||||
| 348 | S | 29 | Very low | 34.2 | Very low | 106 Ų | 106 | 124.5 Ų | 124.5 | 74% | 0.741 | 70% | 0.704 | S | S | * | * | trans | -94.8 | 162.8 | 161.8 | -168.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 349 | I | 30.8 | Very low | 34.3 | Very low | 139 Ų | 139 | 127 Ų | 127 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | trans | 56.5 | 108.4 | 168.1 | -29.3 | -178.7 | 0 | 0 | 0 | 117.2 | ||||
| 350 | F | 33.8 | Very low | 34.3 | Very low | 195 Ų | 195 | 125.8 Ų | 125.8 | 86% | 0.855 | 70% | 0.701 | S | S | * | * | -176 | 165.8 | 110.3 | -116.1 | -89.2 | 0 | 0 | 0 | 113.3 | |||||
| 351 | A | 37.3 | Very low | 34 | Very low | 72 Ų | 72 | 125.4 Ų | 125.4 | 60% | 0.595 | 70% | 0.698 | S | S | * | * | trans | -103.3 | 145.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 352 | P | 37.3 | Very low | 34 | Very low | 130 Ų | 130 | 125.5 Ų | 125.5 | 84% | 0.844 | 70% | 0.701 | S | S | * | * | trans | -92.7 | 142.9 | -167.9 | 34.7 | -35.8 | 0 | 0 | 0 | 115 | ||||
| 353 | Y | 34.3 | Very low | 34.1 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 55% | 0.545 | 72% | 0.719 | S | S | . | * | trans | -124.5 | 150.6 | 160.5 | 45.1 | -87.9 | 0 | 0 | 0 | 109.7 | N1286 | Y353-N1286 HydrophobicContact CD1-CB 4.17Å; Y353-N1286 HydrophobicContact CE1-CB 3.91Å; Y353-N1286 WeakPolarHBondContact CE1-OD1 3.43Å; Y353-N1286 WeakPolarHBondContact CE2-OD1 3.48Å; Y353-N1286 VanDerWaalsContact CZ-CG 3.42Å; Y353-N1286 VanDerWaalsContact CZ-OD1 3.23Å; Y353-N1286 PolarHBondContact OH-ND2 3.32Å | ||
| 354 | K | 38.4 | Very low | 34.1 | Very low | 191 Ų | 191 | 134.2 Ų | 134.2 | 83% | 0.83 | 74% | 0.743 | S | S | * | * | trans | -123.7 | 155.7 | 170.6 | -65.3 | -170.6 | 175.1 | -170.6 | 0 | 106.6 | ||||
| 355 | L | 37.2 | Very low | 34.3 | Very low | 141 Ų | 141 | 130 Ų | 130 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | -166.6 | 134.1 | 52.8 | -75.1 | 159.9 | 0 | 0 | 0 | 111.7 | |||||
| 356 | T | 37.8 | Very low | 34.2 | Very low | 119 Ų | 119 | 129 Ų | 129 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | 50.4 | 160.2 | 129.2 | 72.3 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 357 | P | 39.4 | Very low | 34.1 | Very low | 100 Ų | 100 | 128.8 Ų | 128.8 | 65% | 0.649 | 73% | 0.728 | S | S | * | * | -139 | -164 | -58.5 | 41.4 | -22.4 | 0 | 0 | 0 | 112.6 | |||||
| 358 | F | 33.1 | Very low | 34.1 | Very low | 176 Ų | 176 | 127.3 Ų | 127.3 | 77% | 0.772 | 72% | 0.717 | S | S | * | * | trans | 115.2 | 119.6 | 157.7 | -74.9 | -73.9 | 0 | 0 | 0 | 119 | ||||
| 359 | L | 31.1 | Very low | 34.5 | Very low | 149 Ų | 149 | 127.3 Ų | 127.3 | 78% | 0.78 | 71% | 0.713 | S | S | * | * | trans | 54.8 | 142 | 137.9 | -70.9 | 168.7 | 0 | 0 | 0 | 120.8 | ||||
| 360 | S | 30.7 | Very low | 34.6 | Very low | 85 Ų | 85 | 127.6 Ų | 127.6 | 59% | 0.594 | 71% | 0.711 | S | S | * | * | cis | -162.7 | -178 | -3.8 | -157.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 361 | T | 32.6 | Very low | 34.8 | Very low | 129 Ų | 129 | 126.6 Ų | 126.6 | 79% | 0.791 | 71% | 0.712 | S | S | * | * | trans | 65.4 | 142.1 | 158.8 | 46.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 362 | S | 35 | Very low | 34.7 | Very low | 86 Ų | 86 | 126.8 Ų | 126.8 | 60% | 0.601 | 72% | 0.721 | S | S | * | * | cis | -170.7 | 157.6 | -8.8 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 363 | K | 34.4 | Very low | 34.6 | Very low | 193 Ų | 193 | 125.7 Ų | 125.7 | 84% | 0.839 | 72% | 0.716 | S | S | * | * | trans | 69.1 | 150.2 | 168.5 | -53.9 | 169.5 | -175.6 | 179.2 | 0 | 115.3 | ||||
| 364 | S | 33.3 | Very low | 34.5 | Very low | 114 Ų | 114 | 124 Ų | 124 | 80% | 0.797 | 72% | 0.724 | S | S | * | * | cis | -173.9 | 165.4 | -23 | -88 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 365 | A | 32.4 | Very low | 34.3 | Very low | 82 Ų | 82 | 120.8 Ų | 120.8 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | cis | -176.4 | 157 | -31.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 366 | S | 32.3 | Very low | 34.1 | Very low | 111 Ų | 111 | 119.9 Ų | 119.9 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | trans | 69 | 153.7 | 160 | -61.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 367 | I | 31 | Very low | 33.9 | Very low | 130 Ų | 130 | 118.1 Ų | 118.1 | 67% | 0.667 | 72% | 0.724 | S | S | * | * | cis | -148.7 | 168 | -5 | -119.6 | 167.6 | 0 | 0 | 0 | 112.5 | Y1228 | I367-Y1228 WeakPolarHBondContact CD1-OH 3.39Å; I367-Y1228 WeakPolarHBondContact CG1-OH 3.46Å | ||
| 368 | T | 35.1 | Very low | 33.7 | Very low | 86 Ų | 86 | 119.6 Ų | 119.6 | 53% | 0.528 | 73% | 0.731 | S | S | . | * | trans | -50.5 | 179.8 | -166.2 | 64.9 | 0 | 0 | 0 | 0 | 121 | Y1228 | T368-Y1228 WeakPolarHBondContact CB-OH 3.24Å; T368-Y1228 HydrophobicContact CG2-CE2 4.49Å; T368-Y1228 WeakPolarHBondContact CG2-OH 3.39Å; T368-Y1228 PolarHBondContact OG1-OH 3.45Å | ||
| 369 | T | 36.7 | Very low | 33.6 | Very low | 107 Ų | 107 | 119.8 Ų | 119.8 | 66% | 0.656 | 74% | 0.735 | S | S | * | * | cis | -136.8 | -123.9 | 10.4 | -25.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 370 | E | 33.9 | Very low | 33.6 | Very low | 144 Ų | 144 | 116.5 Ų | 116.5 | 67% | 0.673 | 73% | 0.729 | S | S | * | * | cis | -157.3 | 177.7 | 3.1 | -156.6 | 39.8 | 86.8 | 0 | 0 | 114.6 | ||||
| 371 | M | 37.4 | Very low | 33.5 | Very low | 174 Ų | 174 | 119 Ų | 119 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | trans | -43.3 | 156 | 173.2 | -57 | -160.3 | -78.9 | 0 | 0 | 115.2 | ||||
| 372 | G | 35.4 | Very low | 33.5 | Very low | 76 Ų | 76 | 120.5 Ų | 120.5 | 78% | 0.784 | 74% | 0.742 | S | S | * | * | cis | 154 | 169 | 4.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 373 | S | 34.7 | Very low | 33.2 | Very low | 107 Ų | 107 | 121.4 Ų | 121.4 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | cis | -168.3 | 168.5 | -17.6 | 59.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 374 | S | 32.6 | Very low | 33 | Very low | 103 Ų | 103 | 117 Ų | 117 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | trans | 61.3 | 150.5 | 160 | 43.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 375 | T | 33.9 | Very low | 33 | Very low | 125 Ų | 125 | 117.2 Ų | 117.2 | 77% | 0.767 | 74% | 0.738 | S | S | * | * | cis | -168.1 | 148.9 | -15.1 | 23.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 376 | S | 33.8 | Very low | 33.2 | Very low | 121 Ų | 121 | 119 Ų | 119 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | trans | 58.7 | 166.9 | 150.1 | -66 | 0 | 0 | 0 | 0 | 121 | ||||
| 377 | A | 33.2 | Very low | 33.5 | Very low | 82 Ų | 82 | 119.7 Ų | 119.7 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | cis | -169.7 | 170.9 | -36.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 378 | T | 34.8 | Very low | 33.8 | Very low | 131 Ų | 131 | 118.9 Ų | 118.9 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | 92.4 | 145.5 | 153.2 | -49 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 379 | Q | 31.6 | Very low | 33.8 | Very low | 181 Ų | 181 | 121.7 Ų | 121.7 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | -52.6 | 175.5 | 179.9 | -63.6 | 164.3 | 17.4 | 0 | 0 | 117.8 | ||||
| 380 | A | 30.1 | Very low | 33.8 | Very low | 80 Ų | 80 | 124 Ų | 124 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | cis | 179.6 | 171.3 | -28.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 381 | V | 29 | Very low | 33.7 | Very low | 137 Ų | 137 | 122 Ų | 122 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | 76.2 | 154 | 160.3 | -150.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 382 | I | 33 | Very low | 33.5 | Very low | 161 Ų | 161 | 119.6 Ų | 119.6 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | trans | 100.5 | 138.7 | 163.4 | -53 | -178.1 | 0 | 0 | 0 | 117.1 | ||||
| 383 | S | 28.1 | Very low | 33.5 | Very low | 105 Ų | 105 | 122 Ų | 122 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | -86.6 | 169.7 | -171.9 | -51.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 384 | S | 31.4 | Very low | 33.5 | Very low | 99 Ų | 99 | 122.3 Ų | 122.3 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | 178.2 | 167 | 60 | -64.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 385 | T | 32.6 | Very low | 33.5 | Very low | 120 Ų | 120 | 122.9 Ų | 122.9 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | 49.1 | 130.3 | 146.8 | 48.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 386 | T | 36.8 | Very low | 33.5 | Very low | 118 Ų | 118 | 123.1 Ų | 123.1 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | cis | 77.8 | 135.3 | 39.7 | 69.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 387 | T | 39.2 | Very low | 33.4 | Very low | 127 Ų | 127 | 123.3 Ų | 123.3 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | cis | -172.6 | 155 | -2 | 17.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 388 | S | 37.4 | Very low | 33.3 | Very low | 113 Ų | 113 | 123.6 Ų | 123.6 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | trans | -150.2 | 135 | 161.2 | 43.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 389 | L | 35.3 | Very low | 33.2 | Very low | 144 Ų | 144 | 124.7 Ų | 124.7 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | cis | 91 | 146.5 | 40.8 | -69.6 | 167.4 | 0 | 0 | 0 | 112.5 | ||||
| 390 | L | 35.6 | Very low | 33.2 | Very low | 157 Ų | 157 | 124.3 Ų | 124.3 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | cis | -132.3 | -152.2 | 3.2 | -79 | 99.3 | 0 | 0 | 0 | 111.4 | ||||
| 391 | T | 32 | Very low | 33.1 | Very low | 101 Ų | 101 | 124.6 Ų | 124.6 | 62% | 0.62 | 74% | 0.74 | S | S | * | * | -165.8 | 106.3 | -86 | -67 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 392 | T | 32.8 | Very low | 33 | Very low | 123 Ų | 123 | 123.9 Ų | 123.9 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | trans | 50.8 | 146.6 | 147.8 | 63.8 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 393 | T | 36.8 | Very low | 32.8 | Very low | 127 Ų | 127 | 125.1 Ų | 125.1 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | trans | -147 | 160.4 | 146.1 | 53.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 394 | T | 32.9 | Very low | 32.7 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | cis | 91.2 | 131.9 | 2.3 | 73.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 395 | T | 33 | Very low | 33 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | cis | -171.5 | 178.4 | -8.7 | 16.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 396 | T | 33.4 | Very low | 33.1 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 80% | 0.798 | 74% | 0.74 | S | S | * | * | trans | 82.7 | 152 | 159 | 81.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 397 | V | 32.4 | Very low | 32.6 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 76% | 0.758 | 74% | 0.737 | S | S | * | * | cis | -163.8 | 156.3 | -7.8 | 115.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 398 | S | 31.4 | Very low | 32.4 | Very low | 87 Ų | 87 | 127.1 Ų | 127.1 | 61% | 0.608 | 73% | 0.734 | S | S | * | * | trans | 68 | 131.1 | 153 | -83.4 | 0 | 0 | 0 | 0 | 127 | ||||
| 399 | Q | 33.5 | Very low | 31.9 | Very low | 155 Ų | 155 | 126.4 Ų | 126.4 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | 80.5 | 130.8 | 126.1 | -72.1 | 171 | 9.2 | 0 | 0 | 123.9 | |||||
| 400 | Q | 30.5 | Very low | 31.6 | Very low | 172 Ų | 172 | 126 Ų | 126 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | trans | 62.5 | 164.8 | 145.2 | -67.4 | 171.4 | 9.4 | 0 | 0 | 117.4 | ||||
| 401 | S | 28.3 | Very low | 31.2 | Very low | 86 Ų | 86 | 125.1 Ų | 125.1 | 60% | 0.601 | 72% | 0.718 | S | S | * | * | cis | -172.5 | 153.7 | -40 | 59.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 402 | V | 27.1 | Very low | 31 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 74% | 0.739 | 72% | 0.721 | S | S | * | * | trans | 58.9 | 158.4 | 171.6 | -60.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 403 | F | 28.4 | Very low | 30.6 | Very low | 187 Ų | 187 | 127.9 Ų | 127.9 | 82% | 0.82 | 72% | 0.717 | S | S | * | * | trans | 60.4 | 118.8 | -179.1 | -60.7 | -79 | 0 | 0 | 0 | 115.4 | ||||
| 404 | S | 26.7 | Very low | 30.2 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 76% | 0.762 | 71% | 0.705 | S | S | * | * | 77.9 | 145.7 | 61.9 | -63.8 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 405 | L | 36.7 | Very low | 29.9 | Very low | 147 Ų | 147 | 130.2 Ų | 130.2 | 77% | 0.77 | 71% | 0.706 | S | S | * | * | trans | -47.8 | 154 | -175.5 | -64.1 | 156.5 | 0 | 0 | 0 | 113.8 | L407 | L405-L407 HydrophobicContact CB-CD1 3.83Å; L405-L407 HydrophobicContact CD1-CD1 4.03Å; L405-L407 HydrophobicContact CG-CD1 4.35Å | ||
| 406 | P | 34 | Very low | 29.7 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 73% | 0.734 | 71% | 0.71 | S | S | * | * | -119.2 | 155.6 | 90.8 | 40.8 | -38.2 | 0 | 0 | 0 | 110.8 | |||||
| 407 | L | 28.3 | Very low | 29.4 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 67% | 0.665 | 71% | 0.705 | S | S | * | * | 56.1 | 135.5 | 54.9 | -74.8 | 69 | 0 | 0 | 0 | 110 | L405 | L405-L407 HydrophobicContact CB-CD1 3.83Å; L405-L407 HydrophobicContact CD1-CD1 4.03Å; L405-L407 HydrophobicContact CG-CD1 4.35Å | |||
| 408 | T | 33.1 | Very low | 29.2 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 71% | 0.712 | 70% | 0.702 | S | S | * | * | cis | -129.6 | 150.7 | 29.2 | 42 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 409 | S | 27.8 | Very low | 29 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 69% | 0.685 | 71% | 0.705 | S | S | * | * | cis | 71.8 | 157.5 | 42.6 | -161.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 410 | I | 28.6 | Very low | 28.8 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 70% | 0.697 | 70% | 0.704 | S | S | * | * | trans | 74.3 | 128.6 | 174.7 | -56.9 | 154.6 | 0 | 0 | 0 | 113.4 | ||||
| 411 | H | 27.8 | Very low | 28.8 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 63% | 0.634 | 70% | 0.697 | S | S | * | * | cis | -155.1 | 155.5 | -4.5 | -132.4 | -136.3 | 0 | 0 | 0 | 111.2 | ||||
| 412 | F | 26.8 | Very low | 29.2 | Very low | 159 Ų | 159 | 130.2 Ų | 130.2 | 70% | 0.697 | 69% | 0.693 | S | S | * | * | trans | 39.4 | 130.9 | 133.9 | -73.1 | -135.2 | 0 | 0 | 0 | 119.7 | ||||
| 413 | N | 26.1 | Very low | 29.5 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 66% | 0.658 | 68% | 0.681 | S | S | * | * | 74.4 | 137.1 | 53.4 | -156.1 | 73.1 | 0 | 0 | 0 | 113.7 | |||||
| 414 | D | 26.9 | Very low | 29.8 | Very low | 101 Ų | 101 | 123.4 Ų | 123.4 | 54% | 0.54 | 67% | 0.673 | S | S | . | * | trans | 62.8 | 159.3 | -178.3 | -58.5 | -61.9 | 0 | 0 | 0 | 115.2 | ||||
| 415 | R | 27.1 | Very low | 30.3 | Very low | 190 Ų | 190 | 124.6 Ų | 124.6 | 72% | 0.717 | 68% | 0.676 | S | S | * | * | cis | -163.9 | 153.5 | -24.9 | -110.4 | 177.6 | -144.7 | -166.4 | 8.7 | 108.5 | ||||
| 416 | Y | 28 | Very low | 30.3 | Very low | 202 Ų | 202 | 121 Ų | 121 | 79% | 0.792 | 67% | 0.673 | S | S | * | * | trans | 63.4 | 175.1 | 149 | -81.7 | -137 | 0 | 0 | 0 | 115.9 | ||||
| 417 | N | 27.6 | Very low | 30.4 | Very low | 128 Ų | 128 | 119.6 Ų | 119.6 | 68% | 0.684 | 67% | 0.672 | S | S | * | * | cis | -173.4 | 171.9 | -42.7 | -165.5 | -2.4 | 0 | 0 | 0 | 105.5 | ||||
| 418 | S | 28 | Very low | 30.9 | Very low | 101 Ų | 101 | 122.2 Ų | 122.2 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | trans | 77.2 | 127.5 | -177.2 | -38.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 419 | S | 27.3 | Very low | 31.1 | Very low | 96 Ų | 96 | 122.2 Ų | 122.2 | 67% | 0.671 | 68% | 0.68 | S | S | * | * | 67.4 | 131.7 | 71.4 | -147.7 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 420 | I | 29.5 | Very low | 31.5 | Very low | 136 Ų | 136 | 123.6 Ų | 123.6 | 70% | 0.697 | 68% | 0.684 | S | S | * | * | -142.7 | 152.9 | 59.7 | -73.3 | 145.4 | 0 | 0 | 0 | 113.5 | D2 | D2-I420 WeakPolarHBondContact O-CG2 3.22Š| |||
| 421 | I | 30.1 | Very low | 32 | Very low | 126 Ų | 126 | 121.6 Ų | 121.6 | 65% | 0.646 | 68% | 0.683 | S | S | * | * | trans | -95.3 | -158.2 | 179.3 | 6.8 | 171.4 | 0 | 0 | 0 | 110.1 | M1 D2 | M1-I421 CarbonylContact C-O 3.46Å; M1-I421 VanDerWaalsContact C-O 3.26Å; D2-I421 PolarHBondContact N-O 2.9Å | ||
| 422 | P | 38.3 | Very low | 32.5 | Very low | 80 Ų | 80 | 123.1 Ų | 123.1 | 52% | 0.519 | 69% | 0.692 | S | S | . | * | cis | -124.2 | -146 | -24.8 | 22.2 | 3.8 | 0 | 0 | 0 | 110.6 | M1 | M1-P422 WeakPolarHBondContact CA-O 3.38Å; M1-P422 WeakPolarHBondContact CB-O 3.44Å; M1-P422 PolarHBondContact N-O 3.17Å; M1-P422 WeakPolarHBondContact O-CD 3.06Å | ||
| 423 | A | 33.2 | Very low | 33.2 | Very low | 59 Ų | 59 | 120 Ų | 120 | 49% | 0.488 | 69% | 0.688 | S | S | . | * | trans | 68.3 | 143.5 | 145.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | M1 | M1-A423 HydrophobicContact CB-CB 3.96Å; M1-A423 HydrophobicContact CG-CB 4.39Å; M1-A423 WeakPolarHBondContact CG-O 3.47Å; M1-A423 HydrophobicContact SD-CB 3.95Å | ||
| 424 | T | 33.9 | Very low | 33.7 | Very low | 108 Ų | 108 | 121.3 Ų | 121.3 | 66% | 0.663 | 69% | 0.693 | S | S | * | * | cis | -153.7 | 162 | -11 | -4.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 425 | V | 37.3 | Very low | 34.4 | Very low | 134 Ų | 134 | 122.4 Ų | 122.4 | 81% | 0.812 | 71% | 0.706 | S | S | * | * | -163.8 | 141.1 | 54.7 | 170.2 | 0 | 0 | 0 | 0 | 110 | |||||
| 426 | G | 35.7 | Very low | 34.9 | Very low | 70 Ų | 70 | 118.3 Ų | 118.3 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | trans | 70.7 | 141.5 | 143.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 427 | A | 37.9 | Very low | 35.4 | Very low | 85 Ų | 85 | 114.4 Ų | 114.4 | 70% | 0.702 | 71% | 0.709 | S | S | * | * | cis | -160.8 | 135 | -5.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 428 | Q | 37.2 | Very low | 35.9 | Very low | 182 Ų | 182 | 112.1 Ų | 112.1 | 85% | 0.85 | 71% | 0.708 | S | S | * | * | trans | 58.9 | 150.8 | 149 | -56.1 | 177.8 | 6.2 | 0 | 0 | 118.5 | ||||
| 429 | V | 37.4 | Very low | 36.3 | Very low | 116 Ų | 116 | 116.8 Ų | 116.8 | 70% | 0.703 | 72% | 0.716 | S | S | * | * | cis | -145.5 | 147.9 | 13.7 | -136.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 430 | T | 37.4 | Very low | 37 | Very low | 126 Ų | 126 | 117.9 Ų | 117.9 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | trans | 36.7 | 141.9 | 151 | 48.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 431 | S | 38.1 | Very low | 37.6 | Very low | 95 Ų | 95 | 116.7 Ų | 116.7 | 66% | 0.664 | 72% | 0.719 | S | S | * | * | cis | -175.7 | 122.5 | -5.9 | 48.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 432 | M | 39.4 | Very low | 37.9 | Very low | 168 Ų | 168 | 118 Ų | 118 | 83% | 0.828 | 73% | 0.727 | S | S | * | * | 88.7 | 160.3 | 104.7 | -63.3 | -84.5 | 90.5 | 0 | 0 | 115.1 | |||||
| 433 | P | 40.5 | Very low | 37.7 | Very low | 95 Ų | 95 | 119.7 Ų | 119.7 | 62% | 0.617 | 73% | 0.731 | S | S | * | * | -144 | -161.1 | -90.1 | 32.8 | -6.5 | 0 | 0 | 0 | 116.9 | |||||
| 434 | I | 37.4 | Very low | 37.8 | Very low | 149 Ų | 149 | 125 Ų | 125 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | trans | 115.7 | 118.7 | 148.7 | -59.9 | 161.7 | 0 | 0 | 0 | 118.5 | ||||
| 435 | P | 41.7 | Very low | 37.8 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 81% | 0.805 | 75% | 0.748 | S | S | * | * | trans | -131.7 | 170.9 | 164.9 | 41.7 | -28.3 | 0 | 0 | 0 | 115.8 | ||||
| 436 | S | 37.3 | Very low | 37.8 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | -160.1 | 131.8 | 172.2 | -37.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 437 | S | 38.1 | Very low | 37.9 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 84% | 0.839 | 75% | 0.746 | S | S | * | * | 67 | 141.6 | 67.7 | 82.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 438 | A | 38.2 | Very low | 37.8 | Very low | 80 Ų | 80 | 128.7 Ų | 128.7 | 66% | 0.661 | 75% | 0.752 | S | S | * | * | cis | -158.6 | 163.9 | 11.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 439 | F | 37.3 | Very low | 37.7 | Very low | 199 Ų | 199 | 123.2 Ų | 123.2 | 87% | 0.873 | 74% | 0.744 | S | S | * | * | 37.2 | 148.7 | 129.2 | -74.1 | -115 | 0 | 0 | 0 | 121.9 | |||||
| 440 | T | 40.3 | Very low | 37.5 | Very low | 120 Ų | 120 | 121.4 Ų | 121.4 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | cis | -165.9 | 175.7 | -6.2 | 14 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 441 | P | 43.3 | Very low | 37.3 | Very low | 110 Ų | 110 | 119.8 Ų | 119.8 | 71% | 0.714 | 71% | 0.713 | S | S | * | * | trans | -109 | -142.8 | -161.9 | 45.1 | -40.1 | 0 | 0 | 0 | 116.8 | ||||
| 442 | L | 35.6 | Very low | 36.9 | Very low | 153 Ų | 153 | 119.3 Ų | 119.3 | 80% | 0.801 | 71% | 0.71 | S | S | * | * | trans | 99.5 | 147.5 | -179.4 | -54 | 178.1 | 0 | 0 | 0 | 114.1 | ||||
| 443 | L | 34.6 | Very low | 36.9 | Very low | 117 Ų | 117 | 116 Ų | 116 | 61% | 0.613 | 70% | 0.7 | S | S | * | * | cis | -164.9 | 166.2 | -3.5 | -119.7 | 169.3 | 0 | 0 | 0 | 112.3 | ||||
| 444 | F | 35.3 | Very low | 36.4 | Very low | 171 Ų | 171 | 118.4 Ų | 118.4 | 75% | 0.75 | 71% | 0.706 | S | S | * | * | trans | 64.2 | 159.8 | 158 | -69.4 | -48 | 0 | 0 | 0 | 120.6 | ||||
| 445 | N | 34.6 | Very low | 36.2 | Very low | 141 Ų | 141 | 116 Ų | 116 | 75% | 0.754 | 70% | 0.703 | S | S | * | * | cis | -168.8 | 155.8 | -32.2 | -158.2 | 22.2 | 0 | 0 | 0 | 112 | ||||
| 446 | A | 37.5 | Very low | 35.9 | Very low | 90 Ų | 90 | 116.1 Ų | 116.1 | 74% | 0.744 | 70% | 0.701 | S | S | * | * | trans | 60.6 | 160.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 447 | S | 36.3 | Very low | 36 | Very low | 106 Ų | 106 | 116.4 Ų | 116.4 | 74% | 0.741 | 70% | 0.701 | S | S | * | * | cis | -170.5 | 162.2 | -31.8 | -164.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 448 | V | 36.4 | Very low | 35.8 | Very low | 137 Ų | 137 | 118.4 Ų | 118.4 | 83% | 0.83 | 70% | 0.702 | S | S | * | * | trans | 63.8 | 137.1 | 163.9 | -155.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 449 | G | 35.5 | Very low | 35.6 | Very low | 67 Ų | 67 | 118.8 Ų | 118.8 | 69% | 0.691 | 71% | 0.705 | S | S | * | * | trans | 105 | 127.3 | 151 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 450 | Q | 33.6 | Very low | 35.3 | Very low | 78 Ų | 78 | 117.3 Ų | 117.3 | 36% | 0.364 | 71% | 0.705 | S | S | . | * | cis | 162.1 | 170.7 | -22.4 | -95 | -73.3 | 20.8 | 0 | 0 | 106.9 | N1097 C1098 | Q450-N1097 WeakPolarHBondContact CB-OD1 3.38Å; Q450-N1097 WeakPolarHBondContact CG-OD1 3.35Å; Q450-N1097 PolarHBondContact NE2-OD1 2.9Å; Q450-N1097 VanDerWaalsContact NE2-OD1 3.17Å; Q450-N1097 PolarHBondContact OE1-OD1 3.27Å; Q450-C1098 PolarHBondContact NE2-O 2.97Å; Q450-C1098 PolarHBondContact OE1-O 3.47Å | ||
| 451 | M | 31.7 | Very low | 35.2 | Very low | 92 Ų | 92 | 117.9 Ų | 117.9 | 45% | 0.453 | 70% | 0.703 | S | S | . | * | trans | 76.9 | 147.8 | 162.3 | -67.8 | 179.1 | 64.4 | 0 | 0 | 121.4 | E1095 E1096 | M451-E1095 HydrophobicContact CE-CB 3.61Å; M451-E1095 HydrophobicContact CE-CG 3.49Å; M451-E1095 VanDerWaalsContact CE-CG 3.49Å; M451-E1096 WeakPolarHBondContact CA-OE2 3.22Å; M451-E1096 WeakPolarHBondContact CB-OE2 3.48Å; M451-E1096 WeakPolarHBondContact CE-OE2 3.36Å; M451-E1096 HydrophobicContact CG-CB 4.17Å; M451-E1096 VanDerWaalsContact CG-O 3.29Å; M451-E1096 WeakPolarHBondContact CG-O 3.3Å; M451-E1096 WeakPolarHBondContact CG-OE2 3.25Å | ||
| 452 | S | 29.7 | Very low | 34.6 | Very low | 85 Ų | 85 | 118.7 Ų | 118.7 | 59% | 0.594 | 71% | 0.708 | S | S | * | * | trans | 174.6 | 150.6 | -179.1 | 65.9 | 0 | 0 | 0 | 0 | 109.2 | E1096 | S452-E1096 PolarHBondContact N-OE2 2.72Å; S452-E1096 WeakPolarHBondContact O-CG 3.25Å; S452-E1096 VanDerWaalsContact O-OE2 3.04Å | ||
| 453 | P | 40.3 | Very low | 34.4 | Very low | 97 Ų | 97 | 118.1 Ų | 118.1 | 63% | 0.63 | 70% | 0.704 | S | S | * | * | cis | -153.1 | -151.6 | 36.1 | 32 | -3.3 | 0 | 0 | 0 | 115.7 | ||||
| 454 | I | 29.9 | Very low | 34.2 | Very low | 146 Ų | 146 | 118.9 Ų | 118.9 | 75% | 0.749 | 71% | 0.708 | S | S | * | * | trans | 99.1 | 129.4 | 154.1 | -64.6 | 164 | 0 | 0 | 0 | 120.7 | ||||
| 455 | S | 33.4 | Very low | 34 | Very low | 99 Ų | 99 | 116.1 Ų | 116.1 | 69% | 0.692 | 71% | 0.705 | S | S | * | * | trans | 64.5 | 112.4 | 156.5 | -68.7 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 456 | T | 34.7 | Very low | 33.7 | Very low | 126 Ų | 126 | 115.9 Ų | 115.9 | 77% | 0.773 | 70% | 0.704 | S | S | * | * | 1.5 | 151.1 | 125.5 | 52.6 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 457 | P | 40.2 | Very low | 33.4 | Very low | 111 Ų | 111 | 116.1 Ų | 116.1 | 72% | 0.721 | 70% | 0.7 | S | S | * | * | cis | -151.5 | 176.8 | 43.6 | 41.8 | -20.6 | 0 | 0 | 0 | 120.4 | ||||
| 458 | L | 33.4 | Very low | 33.1 | Very low | 162 Ų | 162 | 118.7 Ų | 118.7 | 85% | 0.848 | 70% | 0.704 | S | S | * | * | trans | 41.9 | 108.5 | 154 | -89 | 78.9 | 0 | 0 | 0 | 123.2 | ||||
| 459 | A | 33.7 | Very low | 32.6 | Very low | 88 Ų | 88 | 117.2 Ų | 117.2 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | 46 | 130.8 | 115.3 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 460 | L | 32 | Very low | 32.4 | Very low | 167 Ų | 167 | 120.8 Ų | 120.8 | 87% | 0.874 | 71% | 0.708 | S | S | * | * | -165.2 | 175.8 | 110.7 | -105.9 | 167.1 | 0 | 0 | 0 | 113.7 | |||||
| 461 | L | 37.4 | Very low | 32.2 | Very low | 132 Ų | 132 | 120.3 Ų | 120.3 | 69% | 0.691 | 72% | 0.724 | S | S | * | * | trans | -108.2 | 164 | -173.4 | -65.9 | 74.7 | 0 | 0 | 0 | 112.3 | ||||
| 462 | P | 31.8 | Very low | 32.2 | Very low | 127 Ų | 127 | 123.7 Ų | 123.7 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | trans | -98.6 | 128.7 | 154.8 | 34.7 | -27.4 | 0 | 0 | 0 | 112.7 | ||||
| 463 | I | 30.6 | Very low | 32.3 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 73% | 0.728 | 75% | 0.746 | S | S | * | * | trans | -147.3 | 123.1 | 162.1 | -56.6 | 177.6 | 0 | 0 | 0 | 108 | ||||
| 464 | L | 30.3 | Very low | 31.7 | Very low | 133 Ų | 133 | 124.2 Ų | 124.2 | 70% | 0.696 | 74% | 0.742 | S | S | * | * | trans | -148.5 | 122.4 | 160.3 | -76.4 | -177.4 | 0 | 0 | 0 | 111.5 | ||||
| 465 | T | 31.3 | Very low | 31.7 | Very low | 112 Ų | 112 | 122.8 Ų | 122.8 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | trans | 49 | -170 | 140.8 | 70.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 466 | D | 29 | Very low | 31.5 | Very low | 136 Ų | 136 | 127.8 Ų | 127.8 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | cis | -148.9 | -160.6 | 3.9 | -138.1 | -53 | 0 | 0 | 0 | 114.8 | ||||
| 467 | S | 31 | Very low | 31.6 | Very low | 95 Ų | 95 | 128.9 Ų | 128.9 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | trans | -126.7 | -177.9 | -146.2 | -46.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 468 | I | 28.7 | Very low | 31.2 | Very low | 161 Ų | 161 | 130.1 Ų | 130.1 | 83% | 0.826 | 73% | 0.729 | S | S | * | * | trans | 89.5 | 92.4 | 159.9 | -49.5 | -175.6 | 0 | 0 | 0 | 119.4 | ||||
| 469 | S | 27.4 | Very low | 31.2 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | 69.8 | 161.5 | 118.1 | -149.6 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 470 | V | 30 | Very low | 31.4 | Very low | 141 Ų | 141 | 128.4 Ų | 128.4 | 86% | 0.855 | 71% | 0.713 | S | S | * | * | trans | 73.9 | 122.4 | 164.6 | -165.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 471 | G | 30.3 | Very low | 31.4 | Very low | 69 Ų | 69 | 125.7 Ų | 125.7 | 71% | 0.711 | 71% | 0.705 | S | S | * | * | trans | 122.6 | 105.9 | 136.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 472 | E | 30.9 | Very low | 30.9 | Very low | 163 Ų | 163 | 128.4 Ų | 128.4 | 76% | 0.762 | 71% | 0.706 | S | S | * | * | trans | -62.4 | 153.3 | 145.7 | -114.6 | -132.1 | 121.5 | 0 | 0 | 109.2 | S474 | E472-S474 WeakPolarHBondContact OE1-CA 3.46Å; E472-S474 WeakPolarHBondContact OE1-CB 3.11Å; E472-S474 PolarHBondContact OE1-N 3.28Å | ||
| 473 | P | 32.6 | Very low | 30.8 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 75% | 0.747 | 71% | 0.707 | S | S | * | * | -148.1 | 138.5 | 62.2 | 37 | -16.5 | 0 | 0 | 0 | 118.1 | |||||
| 474 | S | 28.1 | Very low | 30.8 | Very low | 77 Ų | 77 | 129 Ų | 129 | 54% | 0.538 | 70% | 0.695 | S | S | . | * | 54.1 | 158.1 | 112.6 | -140.2 | 0 | 0 | 0 | 0 | 123.6 | E472 | E472-S474 WeakPolarHBondContact OE1-CA 3.46Å; E472-S474 WeakPolarHBondContact OE1-CB 3.11Å; E472-S474 PolarHBondContact OE1-N 3.28Å | |||
| 475 | L | 29 | Very low | 30.7 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 61% | 0.613 | 70% | 0.696 | S | S | * | * | trans | 77.2 | 106.8 | 162.2 | -52.2 | -171.4 | 0 | 0 | 0 | 120.3 | ||||
| 476 | R | 30 | Very low | 30.6 | Very low | 203 Ų | 203 | 128 Ų | 128 | 77% | 0.766 | 70% | 0.695 | S | S | * | * | 78.8 | 141.1 | 117.8 | -70 | 178.9 | 178.7 | 165.3 | 3.4 | 117.7 | |||||
| 477 | K | 37 | Very low | 30.6 | Very low | 150 Ų | 150 | 128.3 Ų | 128.3 | 65% | 0.652 | 70% | 0.696 | S | S | * | * | cis | -161.1 | 142.1 | 12.6 | -119.9 | 164.8 | 168.2 | -110.2 | 0 | 110.8 | ||||
| 478 | Q | 31.1 | Very low | 30.5 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | trans | 59 | 147 | 137.6 | -64.9 | -179.9 | -89.6 | 0 | 0 | 120.3 | ||||
| 479 | D | 34.1 | Very low | 30.5 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 62% | 0.615 | 69% | 0.689 | S | S | * | * | cis | -153.3 | 143.2 | -13.4 | -100.6 | -36.6 | 0 | 0 | 0 | 106.6 | ||||
| 480 | T | 36.1 | Very low | 30.7 | Very low | 100 Ų | 100 | 126.4 Ų | 126.4 | 61% | 0.613 | 69% | 0.687 | S | S | * | * | 52.1 | 143.1 | 65.9 | 16.5 | 0 | 0 | 0 | 0 | 114.5 | R482 | T480-R482 HydrophobicContact CG2-CB 3.87Š| |||
| 481 | P | 32.5 | Very low | 30.6 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 71% | 0.714 | 69% | 0.69 | S | S | * | * | cis | -113.7 | 169.3 | 25.7 | 41.5 | -31.9 | 0 | 0 | 0 | 114 | F483 | P481-F483 HydrophobicContact CB-CD2 4.49Š| ||
| 482 | R | 26.2 | Very low | 30.5 | Very low | 189 Ų | 189 | 129.7 Ų | 129.7 | 71% | 0.713 | 69% | 0.691 | S | S | * | * | cis | 73.9 | 77.5 | 3.3 | -153.1 | 179.8 | -170.5 | -168.1 | 2.8 | 119.8 | T480 N484 | T480-R482 HydrophobicContact CG2-CB 3.87Å; R482-N484 HydrophobicContact CG-CB 3.93Å; R482-N484 PolarHBondContact NH2-OD1 3.01Å | ||
| 483 | F | 30.9 | Very low | 30.4 | Very low | 190 Ų | 190 | 129.4 Ų | 129.4 | 83% | 0.833 | 69% | 0.694 | S | S | * | * | trans | -127.7 | 122.5 | 140 | -76.5 | -87.5 | 0 | 0 | 0 | 106.5 | P481 | P481-F483 HydrophobicContact CB-CD2 4.49Š| ||
| 484 | N | 29.5 | Very low | 30.6 | Very low | 90 Ų | 90 | 130.8 Ų | 130.8 | 48% | 0.481 | 70% | 0.696 | S | S | . | * | cis | 72.6 | 78.3 | 5.3 | -159.6 | 109.8 | 0 | 0 | 0 | 116.8 | R482 | R482-N484 HydrophobicContact CG-CB 3.93Å; R482-N484 PolarHBondContact NH2-OD1 3.01Å | ||
| 485 | S | 30.1 | Very low | 31 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 72% | 0.72 | 71% | 0.705 | S | S | * | * | trans | -174 | 149.4 | 148.3 | 50.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 486 | N | 28.9 | Very low | 31 | Very low | 123 Ų | 123 | 132 Ų | 132 | 66% | 0.658 | 71% | 0.707 | S | S | * | * | cis | -178.3 | 167.3 | -32.6 | -110.9 | 9.7 | 0 | 0 | 0 | 107.6 | ||||
| 487 | N | 27.5 | Very low | 30.8 | Very low | 142 Ų | 142 | 127.9 Ų | 127.9 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | trans | 67.9 | 142.8 | 161.3 | -58.9 | -1.6 | 0 | 0 | 0 | 116.7 | ||||
| 488 | S | 28.9 | Very low | 30.3 | Very low | 97 Ų | 97 | 125.8 Ų | 125.8 | 68% | 0.678 | 70% | 0.704 | S | S | * | * | cis | 115.7 | 147 | 2.4 | 75.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 489 | S | 28.6 | Very low | 30.1 | Very low | 96 Ų | 96 | 127 Ų | 127 | 67% | 0.671 | 71% | 0.71 | S | S | * | * | trans | 83.6 | 150.3 | 163.2 | 85.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 490 | D | 31.7 | Very low | 29.7 | Very low | 129 Ų | 129 | 125.8 Ų | 125.8 | 69% | 0.69 | 71% | 0.71 | S | S | * | * | trans | 70.3 | 130.3 | 161.4 | -47.1 | -49.1 | 0 | 0 | 0 | 118.8 | ||||
| 491 | F | 27.8 | Very low | 29.2 | Very low | 207 Ų | 207 | 129.1 Ų | 129.1 | 91% | 0.908 | 72% | 0.719 | S | S | * | * | cis | 68.2 | 132.3 | 48.2 | -82.9 | -83.9 | 0 | 0 | 0 | 113.8 | ||||
| 492 | G | 29.3 | Very low | 29 | Very low | 72 Ų | 72 | 131 Ų | 131 | 74% | 0.742 | 72% | 0.723 | S | S | * | * | trans | 130.5 | 103.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 493 | N | 29.1 | Very low | 29 | Very low | 156 Ų | 156 | 126 Ų | 126 | 83% | 0.834 | 72% | 0.718 | S | S | * | * | trans | -53 | 141.3 | 170.2 | -48 | -55.3 | 0 | 0 | 0 | 115.7 | ||||
| 494 | N | 36.6 | Very low | 28.8 | Very low | 144 Ų | 144 | 123.6 Ų | 123.6 | 77% | 0.77 | 71% | 0.713 | S | S | * | * | trans | 60 | -176.3 | 151.4 | -83.1 | -9.8 | 0 | 0 | 0 | 116.4 | ||||
| 495 | P | 36.1 | Very low | 28.8 | Very low | 112 Ų | 112 | 128 Ų | 128 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | cis | -95.7 | 172.5 | -12.1 | 6.2 | 18.7 | 0 | 0 | 0 | 112.3 | ||||
| 496 | T | 29.6 | Very low | 28.7 | Very low | 107 Ų | 107 | 129.1 Ų | 129.1 | 66% | 0.656 | 73% | 0.726 | S | S | * | * | 66.6 | 149.8 | 50.9 | -34.3 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 497 | T | 25.3 | Very low | 28.6 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | trans | 70.1 | 143.1 | 174.5 | 69.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 498 | T | 26.1 | Very low | 28.7 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 64% | 0.644 | 73% | 0.73 | S | S | * | * | cis | -158.8 | -173.7 | -22.1 | 20.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 499 | E | 26.8 | Very low | 29 | Very low | 162 Ų | 162 | 132.8 Ų | 132.8 | 76% | 0.757 | 74% | 0.739 | S | S | * | * | trans | 66.2 | 107.2 | 157.2 | -70.6 | 136.5 | -104.5 | 0 | 0 | 116.9 | ||||
| 500 | S | 25.6 | Very low | 29.2 | Very low | 89 Ų | 89 | 132.6 Ų | 132.6 | 62% | 0.622 | 74% | 0.738 | S | S | * | * | cis | 95.4 | 124.3 | 46 | 70.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 501 | E | 26.8 | Very low | 29.3 | Very low | 170 Ų | 170 | 131.7 Ų | 131.7 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | trans | 77.3 | 152.8 | 151.8 | -66.1 | 170.8 | -166.2 | 0 | 0 | 120 | ||||
| 502 | N | 27.3 | Very low | 29.6 | Very low | 150 Ų | 150 | 125.2 Ų | 125.2 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | trans | 76.8 | 138.5 | 176 | -50.3 | -67.1 | 0 | 0 | 0 | 118.2 | ||||
| 503 | S | 26.5 | Very low | 29.9 | Very low | 85 Ų | 85 | 128 Ų | 128 | 59% | 0.594 | 73% | 0.731 | S | S | * | * | cis | -174 | 145.3 | -35.5 | 49.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 504 | N | 26.8 | Very low | 30.1 | Very low | 138 Ų | 138 | 128.3 Ų | 128.3 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | trans | 56.7 | 123 | 160.7 | -51.3 | -44.1 | 0 | 0 | 0 | 117.2 | ||||
| 505 | F | 29.1 | Very low | 29.9 | Very low | 183 Ų | 183 | 130.7 Ų | 130.7 | 80% | 0.803 | 73% | 0.727 | S | S | * | * | -165.5 | 131.5 | 67.9 | -108.5 | -103.2 | 0 | 0 | 0 | 112 | |||||
| 506 | N | 27.6 | Very low | 29.6 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 67% | 0.674 | 72% | 0.718 | S | S | * | * | trans | 37.3 | 142.2 | 134 | -68.9 | -66.4 | 0 | 0 | 0 | 122.7 | ||||
| 507 | K | 27.9 | Very low | 29.7 | Very low | 186 Ų | 186 | 129.9 Ų | 129.9 | 81% | 0.809 | 72% | 0.717 | S | S | * | * | cis | 179.3 | 129.6 | -1.5 | 172.7 | 174.5 | -174.4 | 173.5 | 0 | 113.4 | ||||
| 508 | G | 29.3 | Very low | 30 | Very low | 67 Ų | 67 | 130.5 Ų | 130.5 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | trans | 72.3 | 155.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 509 | H | 35.1 | Very low | 30.3 | Very low | 187 Ų | 187 | 129.1 Ų | 129.1 | 87% | 0.866 | 71% | 0.711 | S | S | * | * | cis | -153.5 | 160.9 | 1.2 | -81.3 | -99.4 | 0 | 0 | 0 | 107.7 | ||||
| 510 | S | 32.2 | Very low | 30.5 | Very low | 92 Ų | 92 | 129.6 Ų | 129.6 | 64% | 0.643 | 71% | 0.713 | S | S | * | * | cis | -169.9 | 154.7 | -18.8 | -174.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 511 | S | 33.4 | Very low | 30.9 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | trans | 23.3 | 141.4 | 150 | 58.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 512 | G | 35.4 | Very low | 31.2 | Very low | 70 Ų | 70 | 131.7 Ų | 131.7 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | cis | 162.7 | 177.8 | 16.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 513 | N | 34.7 | Very low | 31.7 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | cis | -151.3 | 145.7 | 6.2 | -98.5 | 10.4 | 0 | 0 | 0 | 107.3 | ||||
| 514 | Q | 33.4 | Very low | 31.8 | Very low | 161 Ų | 161 | 130.4 Ų | 130.4 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | 54.6 | 138 | 89.2 | -62.1 | 176.6 | -4.4 | 0 | 0 | 114 | |||||
| 515 | Y | 32.7 | Very low | 32.1 | Very low | 195 Ų | 195 | 132 Ų | 132 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | cis | -159.5 | 145.1 | 32.2 | -155.2 | -130.9 | 0 | 0 | 0 | 111.4 | ||||
| 516 | C | 30.3 | Very low | 32 | Very low | 81 Ų | 81 | 133.4 Ų | 133.4 | 55% | 0.547 | 74% | 0.737 | S | S | . | * | 38.1 | 156.9 | 129.6 | -64.2 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 517 | D | 32.2 | Very low | 32.2 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 64% | 0.642 | 75% | 0.746 | S | S | * | * | cis | -170.6 | 162.3 | 0.8 | -117.2 | 6.2 | 0 | 0 | 0 | 112.8 | ||||
| 518 | N | 31.4 | Very low | 32.2 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | 57 | 158.9 | 141.8 | -71.7 | -40.8 | 0 | 0 | 0 | 122.6 | ||||
| 519 | S | 30.9 | Very low | 32.4 | Very low | 76 Ų | 76 | 137.3 Ų | 137.3 | 53% | 0.531 | 75% | 0.753 | S | S | . | * | cis | -172.5 | 166.9 | -29.7 | -104.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 520 | H | 32.6 | Very low | 32 | Very low | 173 Ų | 173 | 135.5 Ų | 135.5 | 80% | 0.801 | 75% | 0.75 | S | S | * | * | trans | 69.8 | 158.6 | 166.2 | -53.8 | -51.3 | 0 | 0 | 0 | 117 | ||||
| 521 | K | 33.9 | Very low | 31.9 | Very low | 196 Ų | 196 | 138.9 Ų | 138.9 | 85% | 0.852 | 76% | 0.76 | S | S | * | * | cis | -151.3 | 163.7 | -0.7 | -134.7 | 166.2 | -174.8 | 179.1 | 0 | 111 | ||||
| 522 | S | 32.4 | Very low | 31.7 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -98.1 | -166.2 | 176 | -23.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 523 | P | 37 | Very low | 31.2 | Very low | 128 Ų | 128 | 146.3 Ų | 146.3 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | cis | -130.7 | -177.7 | -39.7 | 36 | -18.8 | 0 | 0 | 0 | 113.1 | ||||
| 524 | G | 30 | Very low | 31.1 | Very low | 80 Ų | 80 | 145 Ų | 145 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | 105.1 | 160 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 525 | H | 33.3 | Very low | 30.9 | Very low | 172 Ų | 172 | 145 Ų | 145 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | cis | -129.3 | 179.6 | 3.5 | -168.2 | -101.9 | 0 | 0 | 0 | 111.3 | ||||
| 526 | R | 26.7 | Very low | 30.8 | Very low | 211 Ų | 211 | 140.4 Ų | 140.4 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | trans | -72.5 | 141.2 | 170.4 | -58 | 170.2 | 178.1 | 166.1 | -2.8 | 110.6 | ||||
| 527 | E | 31.8 | Very low | 30.6 | Very low | 188 Ų | 188 | 143.5 Ų | 143.5 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | -156 | 157.1 | 128.6 | -130 | 105.5 | -116.3 | 0 | 0 | 108.1 | |||||
| 528 | S | 28.2 | Very low | 30.4 | Very low | 104 Ų | 104 | 145.2 Ų | 145.2 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -107.9 | 121.7 | -174.2 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 529 | D | 32.6 | Very low | 30.2 | Very low | 169 Ų | 169 | 141.5 Ų | 141.5 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | trans | -144.8 | 125.4 | 154.9 | -103 | -43.2 | 0 | 0 | 0 | 110.6 | N531 | D529-N531 PolarHBondContact O-N 3.16Š| ||
| 530 | N | 27.4 | Very low | 30.2 | Very low | 150 Ų | 150 | 146.8 Ų | 146.8 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | -91.1 | 88 | -164.3 | -66 | -60 | 0 | 0 | 0 | 112 | ||||
| 531 | N | 29.1 | Very low | 30.3 | Very low | 163 Ų | 163 | 143.3 Ų | 143.3 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -156.8 | 90.7 | 167.2 | -99.1 | -44.4 | 0 | 0 | 0 | 114.1 | D529 | D529-N531 PolarHBondContact O-N 3.16Š| ||
| 532 | K | 29.5 | Very low | 29.8 | Very low | 199 Ų | 199 | 138.9 Ų | 138.9 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | -164.4 | 76.7 | 165.4 | -117.9 | 163.1 | -172.5 | 166.7 | 0 | 112.8 | S534 | K532-S534 PolarHBondContact O-N 2.77Š| ||
| 533 | C | 25.1 | Very low | 29.6 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 93% | 0.926 | 78% | 0.784 | S | S | * | * | trans | -64.5 | 131.8 | 178.2 | -169.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 534 | S | 32.6 | Very low | 29.1 | Very low | 103 Ų | 103 | 141 Ų | 141 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | trans | -123.8 | 138.6 | -179.6 | -64 | 0 | 0 | 0 | 0 | 111.3 | K532 | K532-S534 PolarHBondContact O-N 2.77Š| ||
| 535 | I | 28.2 | Very low | 29 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | trans | -51 | 148.1 | 163.1 | -65 | 165.7 | 0 | 0 | 0 | 109.5 | ||||
| 536 | P | 32.2 | Very low | 28.8 | Very low | 99 Ų | 99 | 139.5 Ų | 139.5 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | cis | -135.2 | -158.6 | 9.1 | 31.6 | -7.3 | 0 | 0 | 0 | 114.4 | ||||
| 537 | L | 26.1 | Very low | 28.8 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | 74.3 | 127.4 | 141.7 | -86.3 | 171.5 | 0 | 0 | 0 | 120.3 | ||||
| 538 | L | 26.4 | Very low | 28.6 | Very low | 155 Ų | 155 | 135.4 Ų | 135.4 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | 59.4 | 98 | 128.7 | -151.9 | 82.4 | 0 | 0 | 0 | 118.9 | |||||
| 539 | G | 29 | Very low | 28.6 | Very low | 54 Ų | 54 | 139.4 Ų | 139.4 | 56% | 0.557 | 76% | 0.756 | S | S | * | * | 86.7 | 107.5 | 125.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 540 | Q | 29.4 | Very low | 28.4 | Very low | 186 Ų | 186 | 136.9 Ų | 136.9 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | -89.5 | 122.7 | 116.4 | -68.5 | 168.1 | -20.8 | 0 | 0 | 105.7 | |||||
| 541 | V | 34.4 | Very low | 28.7 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 61% | 0.612 | 75% | 0.746 | S | S | * | * | cis | 60.6 | 54 | 7 | -162.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 542 | C | 24.8 | Very low | 28.6 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 70% | 0.696 | 75% | 0.745 | S | S | * | * | trans | -112.1 | 109.5 | 140.5 | -60.6 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 543 | N | 27.3 | Very low | 28.4 | Very low | 136 Ų | 136 | 128.5 Ų | 128.5 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | cis | 45.3 | 71.9 | 49.5 | -76 | -1.9 | 0 | 0 | 0 | 111.2 | ||||
| 544 | L | 27.5 | Very low | 28.6 | Very low | 144 Ų | 144 | 126.6 Ų | 126.6 | 75% | 0.754 | 72% | 0.717 | S | S | * | * | trans | -116.9 | 90.7 | 145.7 | -168.4 | 58.9 | 0 | 0 | 0 | 108.5 | D546 | L544-D546 WeakPolarHBondContact CD1-OD2 3.44Å; L544-D546 WeakPolarHBondContact CG-OD2 3.33Å; L544-D546 PolarHBondContact O-N 2.85Å | ||
| 545 | V | 27.6 | Very low | 28.4 | Very low | 108 Ų | 108 | 129 Ų | 129 | 66% | 0.655 | 72% | 0.717 | S | S | * | * | trans | -85.1 | 95.5 | 164.5 | 171.7 | 0 | 0 | 0 | 0 | 106.1 | I547 | V545-I547 HydrophobicContact CG1-CD1 4.2Å; V545-I547 HydrophobicContact CG1-CG1 3.89Å; V545-I547 WeakPolarHBondContact O-CD1 3.23Å; V545-I547 WeakPolarHBondContact O-CG1 3.16Å | ||
| 546 | D | 28.9 | Very low | 28.6 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 59% | 0.594 | 72% | 0.715 | S | S | * | * | trans | -111.5 | 102.7 | 161.8 | -86.8 | -47 | 0 | 0 | 0 | 106.1 | L544 | L544-D546 WeakPolarHBondContact CD1-OD2 3.44Å; L544-D546 WeakPolarHBondContact CG-OD2 3.33Å; L544-D546 PolarHBondContact O-N 2.85Å | ||
| 547 | I | 26.5 | Very low | 28.4 | Very low | 130 Ų | 130 | 127 Ų | 127 | 67% | 0.667 | 71% | 0.707 | S | S | * | * | 60.7 | 57.9 | 56.9 | -44 | 176.5 | 0 | 0 | 0 | 112.4 | V545 | V545-I547 HydrophobicContact CG1-CD1 4.2Å; V545-I547 HydrophobicContact CG1-CG1 3.89Å; V545-I547 WeakPolarHBondContact O-CD1 3.23Å; V545-I547 WeakPolarHBondContact O-CG1 3.16Å | |||
| 548 | K | 28 | Very low | 28.3 | Very low | 183 Ų | 183 | 125.6 Ų | 125.6 | 80% | 0.796 | 71% | 0.708 | S | S | * | * | trans | -154 | 132.8 | 134.5 | -83.4 | 116.4 | -169.7 | 171.3 | 0 | 107.4 | ||||
| 549 | K | 28.7 | Very low | 28.3 | Very low | 189 Ų | 189 | 125.7 Ų | 125.7 | 82% | 0.822 | 71% | 0.708 | S | S | * | * | cis | -153.1 | 168.5 | -3.4 | -125.3 | 178.1 | -178.2 | -177.5 | 0 | 110 | ||||
| 550 | S | 27.1 | Very low | 28.1 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | trans | -27 | 137.7 | 165.4 | 51.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 551 | G | 33.6 | Very low | 28 | Very low | 66 Ų | 66 | 127.9 Ų | 127.9 | 68% | 0.68 | 71% | 0.708 | S | S | * | * | trans | 151.5 | 124.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 552 | Q | 27.5 | Very low | 27.6 | Very low | 184 Ų | 184 | 125.9 Ų | 125.9 | 86% | 0.86 | 70% | 0.698 | S | S | * | * | 45.7 | 99.2 | 70.6 | -74.9 | 179.5 | -23 | 0 | 0 | 110.5 | |||||
| 553 | S | 25 | Very low | 27.8 | Very low | 86 Ų | 86 | 128.2 Ų | 128.2 | 60% | 0.601 | 70% | 0.699 | S | S | * | * | 72.6 | 165.2 | 77.3 | 72.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 554 | V | 29.9 | Very low | 28 | Very low | 98 Ų | 98 | 124.7 Ų | 124.7 | 59% | 0.594 | 70% | 0.695 | S | S | * | * | trans | 70.4 | 156.3 | 177.5 | -179.2 | 0 | 0 | 0 | 0 | 114 | R1322 | V554-R1322 PolarHBondContact O-NH2 3.22Š| ||
| 555 | E | 29.3 | Very low | 28 | Very low | 153 Ų | 153 | 124.2 Ų | 124.2 | 72% | 0.715 | 70% | 0.698 | S | S | * | * | trans | -47.8 | 178.5 | -178.8 | -57.1 | 144.8 | 144.4 | 0 | 0 | 114.8 | ||||
| 556 | T | 31 | Very low | 27.9 | Very low | 130 Ų | 130 | 124 Ų | 124 | 80% | 0.798 | 70% | 0.701 | S | S | * | * | cis | -148.2 | 168.5 | 7.1 | -24 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 557 | D | 27.7 | Very low | 27.9 | Very low | 89 Ų | 89 | 126.8 Ų | 126.8 | 48% | 0.476 | 71% | 0.707 | S | S | . | * | trans | -72.9 | 171.4 | 167.3 | -74.1 | -105.8 | 0 | 0 | 0 | 112.6 | Y1320 | D557-Y1320 HydrophobicContact CB-CD1 3.84Å; D557-Y1320 HydrophobicContact CB-CE1 3.41Å; D557-Y1320 VanDerWaalsContact CB-CE1 3.41Å; D557-Y1320 WeakPolarHBondContact OD2-CD1 3.31Å | ||
| 558 | C | 24.2 | Very low | 28 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 78% | 0.784 | 71% | 0.708 | S | S | * | * | trans | -47.9 | 152.3 | -169.8 | -42.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 559 | I | 26.1 | Very low | 27.9 | Very low | 158 Ų | 158 | 124.2 Ų | 124.2 | 81% | 0.81 | 70% | 0.703 | S | S | * | * | trans | -161.5 | 165.4 | 134.3 | -106.8 | 157.1 | 0 | 0 | 0 | 111.6 | ||||
| 560 | E | 26.1 | Very low | 27.9 | Very low | 156 Ų | 156 | 119.1 Ų | 119.1 | 73% | 0.729 | 69% | 0.691 | S | S | * | * | trans | -70.9 | 166.7 | -168.1 | -52.9 | 113.7 | 135.1 | 0 | 0 | 116.2 | ||||
| 561 | N | 26.7 | Very low | 27.9 | Very low | 130 Ų | 130 | 122.6 Ų | 122.6 | 70% | 0.695 | 69% | 0.686 | S | S | * | * | trans | 162.2 | 155 | 139.9 | -86.2 | -26.5 | 0 | 0 | 0 | 110.1 | ||||
| 562 | S | 27.1 | Very low | 27.5 | Very low | 59 Ų | 59 | 125.7 Ų | 125.7 | 41% | 0.413 | 68% | 0.683 | S | S | . | * | cis | -174.4 | 148.7 | -23.3 | 50.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 563 | E | 28.3 | Very low | 27.5 | Very low | 151 Ų | 151 | 122.6 Ų | 122.6 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | trans | 63.5 | 161.4 | 170.9 | -59.2 | 150 | -147.9 | 0 | 0 | 115.1 | ||||
| 564 | G | 30.5 | Very low | 27.5 | Very low | 62 Ų | 62 | 123 Ų | 123 | 64% | 0.639 | 68% | 0.679 | S | S | * | * | cis | 158.9 | 144.6 | -13.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 565 | T | 28.4 | Very low | 27.5 | Very low | 135 Ų | 135 | 123.7 Ų | 123.7 | 83% | 0.828 | 69% | 0.689 | S | S | * | * | trans | 79.8 | 153.4 | 162.2 | -41.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 566 | C | 24.5 | Very low | 27.5 | Very low | 104 Ų | 104 | 121.8 Ų | 121.8 | 70% | 0.703 | 69% | 0.69 | S | S | * | * | trans | 71.8 | 125.8 | 179.2 | -74.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 567 | K | 29.5 | Very low | 27.3 | Very low | 168 Ų | 168 | 121.5 Ų | 121.5 | 73% | 0.73 | 69% | 0.687 | S | S | * | * | cis | 68.6 | 136.4 | 45.6 | -58.8 | 172.7 | 175.9 | -176.5 | 0 | 110.8 | ||||
| 568 | Q | 28.7 | Very low | 27.3 | Very low | 147 Ų | 147 | 124.7 Ų | 124.7 | 69% | 0.687 | 70% | 0.704 | S | S | * | * | cis | -157.4 | 171.4 | 8.7 | -130.9 | 170.9 | -82.2 | 0 | 0 | 111.1 | ||||
| 569 | V | 26.8 | Very low | 27.7 | Very low | 113 Ų | 113 | 124.9 Ų | 124.9 | 69% | 0.685 | 70% | 0.702 | S | S | * | * | 23 | 127.7 | 122.5 | 159.8 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 570 | S | 28 | Very low | 27.9 | Very low | 81 Ų | 81 | 123.6 Ų | 123.6 | 57% | 0.566 | 70% | 0.703 | S | S | * | * | cis | 177.6 | 170.1 | 8.5 | -115.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 571 | R | 27.3 | Very low | 28.1 | Very low | 188 Ų | 188 | 123.5 Ų | 123.5 | 71% | 0.709 | 71% | 0.708 | S | S | * | * | trans | 71.6 | 142.5 | 139 | -72.8 | 172.8 | 120.3 | 106.5 | 28.9 | 116.2 | ||||
| 572 | E | 25.8 | Very low | 28.2 | Very low | 131 Ų | 131 | 122.8 Ų | 122.8 | 61% | 0.612 | 71% | 0.712 | S | S | * | * | 55.7 | 132 | 95.7 | -42.9 | 160.9 | -176.3 | 0 | 0 | 112.2 | |||||
| 573 | T | 26.7 | Very low | 28.4 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 74% | 0.736 | 73% | 0.731 | S | S | * | * | cis | -151.5 | 155.5 | 12 | -18.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 574 | S | 24.1 | Very low | 28.4 | Very low | 93 Ų | 93 | 121.8 Ų | 121.8 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | trans | 15.6 | 123.6 | 148.9 | 59.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 575 | S | 29.8 | Very low | 28.3 | Very low | 114 Ų | 114 | 127.8 Ų | 127.8 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | 70.8 | 170.3 | 148.3 | -47.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 576 | P | 29.2 | Very low | 28.2 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | cis | -123.1 | 177.8 | -11 | 41.4 | -27.4 | 0 | 0 | 0 | 113.9 | ||||
| 577 | V | 27.2 | Very low | 28.5 | Very low | 124 Ų | 124 | 127.6 Ų | 127.6 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | trans | 9.7 | 131.6 | 137.4 | -177.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 578 | L | 27.7 | Very low | 28.5 | Very low | 156 Ų | 156 | 126.1 Ų | 126.1 | 82% | 0.817 | 73% | 0.734 | S | S | * | * | trans | 86.9 | 168.6 | 157.1 | -80.4 | 168.9 | 0 | 0 | 0 | 121.4 | ||||
| 579 | T | 33.4 | Very low | 28.8 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 74% | 0.742 | 74% | 0.735 | S | S | * | * | trans | -74.7 | 168.1 | -158.5 | 45.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 580 | P | 30.6 | Very low | 29.3 | Very low | 130 Ų | 130 | 127 Ų | 127 | 84% | 0.844 | 74% | 0.735 | S | S | * | * | -143.4 | 177.9 | 113 | 40.1 | -27.8 | 0 | 0 | 0 | 114.9 | |||||
| 581 | N | 30.5 | Very low | 30 | Very low | 155 Ų | 155 | 130 Ų | 130 | 83% | 0.829 | 74% | 0.744 | S | S | * | * | trans | -121.2 | 148.1 | 175.4 | -168 | 17.2 | 0 | 0 | 0 | 110.8 | ||||
| 582 | C | 27.7 | Very low | 30.6 | Very low | 115 Ų | 115 | 128 Ų | 128 | 78% | 0.777 | 75% | 0.748 | S | S | * | * | trans | -177.3 | 170.2 | 174.9 | -98.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 583 | S | 31.3 | Very low | 31.3 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | cis | 171.7 | 146 | -39.8 | -91.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 584 | G | 29.5 | Very low | 31.7 | Very low | 72 Ų | 72 | 128.5 Ų | 128.5 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | trans | 127 | 116.5 | 148.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 585 | H | 27.4 | Very low | 32.2 | Very low | 187 Ų | 187 | 130.8 Ų | 130.8 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | trans | 65.9 | 145.1 | 157.6 | -100.9 | -64.4 | 0 | 0 | 0 | 118.7 | ||||
| 586 | V | 26.9 | Very low | 32.6 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | cis | -146.3 | 159.1 | 12.2 | -157.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 587 | N | 29.7 | Very low | 32.9 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | trans | 99.8 | 108.3 | 153.9 | -59.1 | -37.1 | 0 | 0 | 0 | 120.4 | ||||
| 588 | N | 30.5 | Very low | 33.4 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | 79.4 | 115 | 133.9 | -56.3 | -4.9 | 0 | 0 | 0 | 122.4 | ||||
| 589 | H | 35.4 | Very low | 34 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | trans | 66.4 | 113.4 | 134.6 | -77.7 | -74.8 | 0 | 0 | 0 | 122.4 | ||||
| 590 | D | 36.9 | Very low | 33.9 | Very low | 126 Ų | 126 | 133 Ų | 133 | 67% | 0.674 | 76% | 0.761 | S | S | * | * | 82.5 | 147.6 | 127.2 | -52 | -10.2 | 0 | 0 | 0 | 122.5 | |||||
| 591 | D | 42.5 | Very low | 33.9 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | trans | 66.8 | 99.5 | 158.2 | -52.2 | -18.4 | 0 | 0 | 0 | 122.8 | ||||
| 592 | D | 40.3 | Very low | 34 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | 53.8 | 151.6 | 122.8 | -63.1 | -23.7 | 0 | 0 | 0 | 126.4 | |||||
| 593 | D | 39.6 | Very low | 34 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | trans | 79.3 | 109.7 | 146.8 | -80.5 | -12.6 | 0 | 0 | 0 | 126.1 | ||||
| 594 | V | 36.3 | Very low | 34 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 72% | 0.715 | 73% | 0.732 | S | S | * | * | 68.2 | 105.1 | 116.5 | 176.1 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 595 | V | 34.9 | Very low | 34.1 | Very low | 140 Ų | 140 | 134 Ų | 134 | 85% | 0.848 | 73% | 0.728 | S | S | * | * | trans | 66.4 | 125.2 | 133.3 | 178.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 596 | G | 36.6 | Very low | 34.4 | Very low | 69 Ų | 69 | 131.7 Ų | 131.7 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | trans | 98.1 | 150.1 | 142.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 597 | D | 37.3 | Very low | 34.7 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 72% | 0.717 | 72% | 0.723 | S | S | * | * | cis | -162.6 | 162.8 | -14.6 | -149.6 | -11.8 | 0 | 0 | 0 | 111.5 | ||||
| 598 | F | 37.4 | Very low | 34.6 | Very low | 181 Ų | 181 | 131 Ų | 131 | 79% | 0.794 | 72% | 0.723 | S | S | * | * | trans | 63.5 | 144.1 | 167.9 | -68.6 | -67.6 | 0 | 0 | 0 | 123.2 | ||||
| 599 | D | 39.1 | Very low | 34.4 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 75% | 0.749 | 72% | 0.721 | S | S | * | * | trans | -74.6 | 174.3 | -175 | -67.8 | -73.4 | 0 | 0 | 0 | 116.2 | ||||
| 600 | N | 32.7 | Very low | 34.8 | Very low | 151 Ų | 151 | 128.8 Ų | 128.8 | 81% | 0.807 | 73% | 0.728 | S | S | * | * | trans | 69.5 | 76.6 | 162.4 | -59.9 | -65.8 | 0 | 0 | 0 | 115.7 | ||||
| 601 | N | 29.4 | Very low | 34.4 | Very low | 140 Ų | 140 | 127.9 Ų | 127.9 | 75% | 0.749 | 73% | 0.726 | S | S | * | * | trans | -149 | 155.9 | 131.1 | -123.9 | 13.3 | 0 | 0 | 0 | 113.8 | ||||
| 602 | D | 32.6 | Very low | 33.9 | Very low | 72 Ų | 72 | 128.7 Ų | 128.7 | 39% | 0.385 | 73% | 0.729 | S | S | . | * | trans | 56.4 | 104.9 | 146.6 | -56.2 | -37.5 | 0 | 0 | 0 | 120.4 | Q604 | D602-Q604 HydrophobicContact CB-CB 3.96Å; D602-Q604 WeakPolarHBondContact OD1-CB 3.44Å; D602-Q604 WeakPolarHBondContact OD1-CG 3.4Å; D602-Q604 PolarHBondContact OD1-NE2 2.99Å; D602-Q604 PolarHBondContact OD2-NE2 2.74Å | ||
| 603 | N | 28.5 | Very low | 33.3 | Very low | 168 Ų | 168 | 127.5 Ų | 127.5 | 90% | 0.898 | 72% | 0.723 | S | S | * | * | -133.5 | 91.3 | 77.4 | -77.2 | -95.6 | 0 | 0 | 0 | 106.9 | |||||
| 604 | Q | 31.3 | Very low | 32.7 | Very low | 134 Ų | 134 | 127 Ų | 127 | 63% | 0.626 | 72% | 0.719 | S | S | * | * | 67.3 | 120.7 | 68 | -150.3 | 179.9 | 85.9 | 0 | 0 | 112.3 | D602 | D602-Q604 HydrophobicContact CB-CB 3.96Å; D602-Q604 WeakPolarHBondContact OD1-CB 3.44Å; D602-Q604 WeakPolarHBondContact OD1-CG 3.4Å; D602-Q604 PolarHBondContact OD1-NE2 2.99Å; D602-Q604 PolarHBondContact OD2-NE2 2.74Å | |||
| 605 | S | 30.4 | Very low | 32.3 | Very low | 94 Ų | 94 | 127.7 Ų | 127.7 | 66% | 0.657 | 72% | 0.719 | S | S | * | * | trans | 62.5 | 119.9 | -170.7 | 69.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 606 | N | 34 | Very low | 31.9 | Very low | 139 Ų | 139 | 127.3 Ų | 127.3 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | cis | 56.3 | 112.3 | 20.4 | -58.9 | -15.6 | 0 | 0 | 0 | 114 | ||||
| 607 | V | 33 | Very low | 31.6 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 65% | 0.648 | 72% | 0.717 | S | S | * | * | cis | -127.5 | 79.6 | -9.2 | -173.9 | 0 | 0 | 0 | 0 | 110.4 | D1440 | V607-D1440 PolarHBondContact N-OD2 2.7Š| ||
| 608 | T | 27.9 | Very low | 31.3 | Very low | 114 Ų | 114 | 130.8 Ų | 130.8 | 70% | 0.699 | 72% | 0.719 | S | S | * | * | trans | -89.8 | 146.7 | -156.1 | -33.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 609 | T | 27.1 | Very low | 31 | Very low | 111 Ų | 111 | 129 Ų | 129 | 68% | 0.681 | 72% | 0.718 | S | S | * | * | trans | -75.7 | 147.1 | 177.8 | 25.8 | 0 | 0 | 0 | 0 | 113.6 | V611 | T609-V611 PolarHBondContact O-N 2.63Š| ||
| 610 | P | 43.7 | Very low | 30.6 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 86% | 0.857 | 72% | 0.716 | S | S | * | * | trans | -74.1 | 95.1 | 176.6 | 29.9 | -34.5 | 0 | 0 | 0 | 111.8 | ||||
| 611 | V | 28.9 | Very low | 30.6 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 65% | 0.648 | 71% | 0.712 | S | S | * | * | trans | -122.5 | 99.3 | 171.4 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | T609 | T609-V611 PolarHBondContact O-N 2.63Š| ||
| 612 | I | 31.7 | Very low | 30.9 | Very low | 161 Ų | 161 | 129.6 Ų | 129.6 | 83% | 0.826 | 72% | 0.719 | S | S | * | * | trans | -138 | 105 | 170.9 | -58.4 | 178.3 | 0 | 0 | 0 | 104.6 | ||||
| 613 | N | 27 | Very low | 30.9 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 66% | 0.658 | 74% | 0.736 | S | S | * | * | 56.6 | 139.2 | 70.9 | -73.6 | -15.7 | 0 | 0 | 0 | 112.9 | |||||
| 614 | L | 26.6 | Very low | 30.9 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 69% | 0.691 | 73% | 0.731 | S | S | * | * | cis | -161.5 | -168.8 | -13.2 | -124.9 | 168.5 | 0 | 0 | 0 | 107.3 | ||||
| 615 | N | 28.9 | Very low | 30.7 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | 66.7 | 79.9 | 156.3 | -55.5 | -22.3 | 0 | 0 | 0 | 119.3 | ||||
| 616 | T | 26.2 | Very low | 31 | Very low | 132 Ų | 132 | 134 Ų | 134 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | 21.3 | 118.3 | 107.1 | -44.1 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 617 | S | 30.1 | Very low | 31 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | 175 | 110.2 | 111.3 | -176.2 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 618 | K | 31.6 | Very low | 31 | Very low | 175 Ų | 175 | 134.2 Ų | 134.2 | 76% | 0.761 | 74% | 0.738 | S | S | * | * | trans | 31.3 | 115.9 | 136.5 | -63.7 | -177.9 | 176.7 | -177.5 | 0 | 120.4 | ||||
| 619 | N | 30.3 | Very low | 31.7 | Very low | 144 Ų | 144 | 131.5 Ų | 131.5 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | -176.4 | 112.8 | 88.4 | -99.6 | -13.6 | 0 | 0 | 0 | 113.2 | |||||
| 620 | D | 31.2 | Very low | 32.4 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 70% | 0.695 | 72% | 0.721 | S | S | * | * | trans | -4.7 | 131.5 | 151.8 | -42.1 | -28.7 | 0 | 0 | 0 | 119.6 | ||||
| 621 | N | 32.7 | Very low | 32.2 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | 171.6 | 116.1 | 96.5 | -91.1 | -66.2 | 0 | 0 | 0 | 114.2 | |||||
| 622 | I | 35.5 | Very low | 33.3 | Very low | 177 Ų | 177 | 130.6 Ų | 130.6 | 91% | 0.908 | 70% | 0.698 | S | S | * | * | trans | -172.3 | 142 | 140.6 | -100.3 | 158.5 | 0 | 0 | 0 | 107.6 | ||||
| 623 | Q | 31.8 | Very low | 34.2 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 73% | 0.729 | 68% | 0.681 | S | S | * | * | trans | -102.4 | 144.9 | -157.6 | -88.7 | 174.7 | -107.4 | 0 | 0 | 116.8 | ||||
| 624 | M | 28.1 | Very low | 35.2 | Very low | 161 Ų | 161 | 127.3 Ų | 127.3 | 79% | 0.793 | 68% | 0.676 | S | S | * | * | trans | 59.6 | 94.9 | 141.6 | -66.3 | 167.6 | 48.2 | 0 | 0 | 120.7 | ||||
| 625 | S | 28.3 | Very low | 36.5 | Very low | 114 Ų | 114 | 127.8 Ų | 127.8 | 80% | 0.797 | 67% | 0.672 | S | S | * | * | trans | -169.6 | 11.5 | 142 | 59.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 626 | N | 36.2 | Very low | 37.7 | Very low | 128 Ų | 128 | 122.8 Ų | 122.8 | 68% | 0.684 | 65% | 0.646 | S | S | * | * | trans | -116.6 | -7.7 | -163.3 | -97.9 | -57 | 0 | 0 | 0 | 121.4 | C628 | N626-C628 PolarHBondContact O-N 2.71Š| ||
| 627 | E | 34.9 | Very low | 38.8 | Very low | 168 Ų | 168 | 117.6 Ų | 117.6 | 79% | 0.785 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.1 | -12.4 | -173.6 | -66.9 | -161.2 | 112.7 | 0 | 0 | 116.1 | S629 N631 | E627-S629 PolarHBondContact O-N 3.38Å; E627-N631 PolarHBondContact O-ND2 3.28Å |
| 628 | C | 31.7 | Very low | 39.8 | Very low | 83 Ų | 83 | 114.8 Ų | 114.8 | 56% | 0.561 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -71.5 | -26.7 | -175 | -164.3 | 0 | 0 | 0 | 0 | 113.3 | N626 K632 | N626-C628 PolarHBondContact O-N 2.71Å; C628-K632 WeakPolarHBondContact O-CD 3.43Å; C628-K632 WeakPolarHBondContact O-CE 3.21Å; C628-K632 WeakPolarHBondContact O-CG 3.49Å; C628-K632 WeakPolarHBondContact SG-CE 3.49Å; C628-K632 PolarHBondContact SG-NZ 3.28Å |
| 629 | S | 43.9 | Very low | 40.9 | Very low | 57 Ų | 57 | 110.5 Ų | 110.5 | 40% | 0.399 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -89.9 | -43.3 | -166.8 | -66.1 | 0 | 0 | 0 | 0 | 114.5 | E627 N631 K632 K633 | E627-S629 PolarHBondContact O-N 3.38Å; S629-N631 PolarHBondContact O-N 3Å; S629-K632 WeakPolarHBondContact O-CB 3.19Å; S629-K632 PolarHBondContact O-N 2.9Å; S629-K633 PolarHBondContact O-N 3Å |
| 630 | I | 41.8 | Very low | 42 | Very low | 120 Ų | 120 | 106.8 Ų | 106.8 | 62% | 0.615 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -58 | -42 | 177.1 | -54.5 | 174.4 | 0 | 0 | 0 | 110.5 | K632 K633 L634 | I630-K632 VanDerWaalsContact C-N 3.26Å; I630-K632 PolarHBondContact O-N 3Å; I630-K633 PolarHBondContact O-N 3.01Å; I630-L634 HydrophobicContact CG2-CD1 4.19Å; I630-L634 PolarHBondContact O-N 2.82Å; I630-L634 VanDerWaalsContact O-N 3.14Å |
| 631 | N | 38.9 | Very low | 42.9 | Very low | 103 Ų | 103 | 104.5 Ų | 104.5 | 55% | 0.551 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.2 | -25.8 | 175.8 | -79.4 | -68.6 | 0 | 0 | 0 | 114 | E627 S629 K635 | E627-N631 PolarHBondContact O-ND2 3.28Å; S629-N631 PolarHBondContact O-N 3Å; N631-K635 WeakPolarHBondContact O-CB 3.4Å; N631-K635 PolarHBondContact O-N 2.94Å |
| 632 | K | 52.2 | Low | 43.9 | Very low | 109 Ų | 109 | 104.9 Ų | 104.9 | 47% | 0.474 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -74.3 | -46.3 | 173.5 | -65.2 | 161.9 | -165.2 | 160.7 | 0 | 110.8 | C628 S629 I630 L634 K635 L636 | C628-K632 WeakPolarHBondContact O-CD 3.43Å; C628-K632 WeakPolarHBondContact O-CE 3.21Å; C628-K632 WeakPolarHBondContact O-CG 3.49Å; C628-K632 WeakPolarHBondContact SG-CE 3.49Å; C628-K632 PolarHBondContact SG-NZ 3.28Å; S629-K632 WeakPolarHBondContact O-CB 3.19Å; S629-K632 PolarHBondContact O-N 2.9Å; I630-K632 VanDerWaalsContact C-N 3.26Å; I630-K632 PolarHBondContact O-N 3Å; K632-L634 PolarHBondContact O-N 3.09Å; K632-K635 PolarHBondContact O-N 3.22Å; K632-K635 VanDerWaalsContact O-N 3.17Å; K632-L636 PolarHBondContact O-N 3.17Å |
| 633 | K | 49.7 | Very low | 44.5 | Very low | 109 Ų | 109 | 97.9 Ų | 97.9 | 47% | 0.474 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.3 | -49 | -179.8 | -163.5 | 163.4 | -178.2 | 159.6 | 0 | 111.5 | S629 I630 K635 L636 S637 V845 | S629-K633 PolarHBondContact O-N 3Å; I630-K633 PolarHBondContact O-N 3.01Å; K633-K635 PolarHBondContact O-N 3.14Å; K633-L636 PolarHBondContact O-N 3.37Å; K633-S637 PolarHBondContact O-N 3.44Å; K633-S637 VanDerWaalsContact O-N 3.17Å; K633-V845 HydrophobicContact CD-CG1 3.99Å; K633-V845 HydrophobicContact CG-CG1 4.44Å; K633-V845 HydrophobicContact CG-CG2 4.39Å |
| 634 | L | 48.2 | Very low | 45.1 | Very low | 106 Ų | 106 | 95.6 Ų | 95.6 | 56% | 0.555 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.6 | -34.2 | 175.4 | -67.8 | 173.2 | 0 | 0 | 0 | 113.6 | I630 K632 S637 A638 | I630-L634 HydrophobicContact CG2-CD1 4.19Å; I630-L634 PolarHBondContact O-N 2.82Å; I630-L634 VanDerWaalsContact O-N 3.14Å; K632-L634 PolarHBondContact O-N 3.09Å; L634-S637 PolarHBondContact O-OG 3.49Å; L634-A638 WeakPolarHBondContact O-CB 3.48Å; L634-A638 PolarHBondContact O-N 3.31Å |
| 635 | K | 54.4 | Low | 46 | Very low | 141 Ų | 141 | 96.7 Ų | 96.7 | 61% | 0.613 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -73.8 | -34.1 | 179.2 | -167.1 | 171.4 | -168.1 | 169.1 | 0 | 111.9 | N631 K632 K633 I639 | N631-K635 WeakPolarHBondContact O-CB 3.4Å; N631-K635 PolarHBondContact O-N 2.94Å; K632-K635 PolarHBondContact O-N 3.22Å; K632-K635 VanDerWaalsContact O-N 3.17Å; K633-K635 PolarHBondContact O-N 3.14Å; K635-I639 HydrophobicContact CG-CD1 4.25Å; K635-I639 WeakPolarHBondContact O-CB 3.07Å; K635-I639 WeakPolarHBondContact O-CD1 3.36Å; K635-I639 WeakPolarHBondContact O-CG1 3.3Å; K635-I639 PolarHBondContact O-N 3.09Å |
| 636 | L | 54.5 | Low | 46.9 | Very low | 27 Ų | 27 | 96 Ų | 96 | 14% | 0.141 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -69.7 | -47.9 | 176.7 | -163.7 | 63.9 | 0 | 0 | 0 | 111.4 | K632 K633 A638 I639 L640 M662 L841 | K632-L636 PolarHBondContact O-N 3.17Å; K633-L636 PolarHBondContact O-N 3.37Å; L636-A638 VanDerWaalsContact C-N 3.35Å; L636-A638 PolarHBondContact O-N 3.32Å; L636-I639 PolarHBondContact O-N 2.96Å; L636-L640 PolarHBondContact O-N 3.5Å; L636-M662 HydrophobicContact CD1-CE 3.72Å; L636-M662 HydrophobicContact CD1-SD 3.36Å; L636-M662 WeakPolarHBondContact CD1-SD 3.12Å; L636-M662 HydrophobicContact CD2-CE 4.3Å; L636-L841 HydrophobicContact CB-CD1 4.19Å; L636-L841 HydrophobicContact CD2-CD1 3.69Å; L636-L841 HydrophobicContact CG-CD1 3.65Å |
| 637 | S | 48.5 | Very low | 47.4 | Very low | 23 Ų | 23 | 101.3 Ų | 101.3 | 16% | 0.161 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 173.2 | 67.7 | 0 | 0 | 0 | 0 | 111.4 | K633 L634 I639 L640 N641 | K633-S637 PolarHBondContact O-N 3.44Å; K633-S637 VanDerWaalsContact O-N 3.17Å; L634-S637 PolarHBondContact O-OG 3.49Å; S637-I639 VanDerWaalsContact C-N 3.31Å; S637-I639 PolarHBondContact O-N 3.17Å; S637-L640 PolarHBondContact O-N 2.81Å; S637-N641 WeakPolarHBondContact O-CB 3.25Å; S637-N641 PolarHBondContact O-N 3.3Å |
| 638 | A | 50.7 | Low | 48.7 | Very low | 43 Ų | 43 | 103.4 Ų | 103.4 | 36% | 0.355 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -28.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L634 L636 K642 | L634-A638 WeakPolarHBondContact O-CB 3.48Å; L634-A638 PolarHBondContact O-N 3.31Å; L636-A638 VanDerWaalsContact C-N 3.35Å; L636-A638 PolarHBondContact O-N 3.32Å; A638-K642 VanDerWaalsContact O-CB 3.31Å; A638-K642 WeakPolarHBondContact O-CB 3.38Å; A638-K642 PolarHBondContact O-N 3.25Å |
| 639 | I | 55.1 | Low | 50.9 | Low | 85 Ų | 85 | 103.3 Ų | 103.3 | 44% | 0.436 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -74.6 | -29.2 | 176.6 | -76.9 | 166.7 | 0 | 0 | 0 | 111.8 | K635 L636 S637 N643 R651 | K635-I639 HydrophobicContact CG-CD1 4.25Å; K635-I639 WeakPolarHBondContact O-CB 3.07Å; K635-I639 WeakPolarHBondContact O-CD1 3.36Å; K635-I639 WeakPolarHBondContact O-CG1 3.3Å; K635-I639 PolarHBondContact O-N 3.09Å; L636-I639 PolarHBondContact O-N 2.96Å; S637-I639 VanDerWaalsContact C-N 3.31Å; S637-I639 PolarHBondContact O-N 3.17Å; I639-N643 PolarHBondContact O-ND2 3.26Å; I639-R651 VanDerWaalsContact O-CZ 3.23Å; I639-R651 PolarHBondContact O-NH1 3.18Å; I639-R651 PolarHBondContact O-NH2 2.64Å |
| 640 | L | 53.3 | Low | 52.9 | Low | 67 Ų | 67 | 103 Ų | 103 | 35% | 0.351 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -89.1 | -42.7 | 177.2 | -72.6 | 161.9 | 0 | 0 | 0 | 112.1 | L636 S637 K642 N643 L841 | L636-L640 PolarHBondContact O-N 3.5Å; S637-L640 PolarHBondContact O-N 2.81Å; L640-K642 VanDerWaalsContact C-N 3.31Å; L640-K642 PolarHBondContact O-N 2.99Å; L640-N643 PolarHBondContact O-N 2.93Å; L640-N643 PolarHBondContact O-ND2 3.12Å; L640-L841 HydrophobicContact CD1-CD1 3.69Å |
| 641 | N | 49.9 | Very low | 55.1 | Low | 81 Ų | 81 | 102 Ų | 102 | 43% | 0.433 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.3 | -22.8 | 178.8 | -71.2 | -8.9 | 0 | 0 | 0 | 113.3 | S637 N643 N644 | S637-N641 WeakPolarHBondContact O-CB 3.25Å; S637-N641 PolarHBondContact O-N 3.3Å; N641-N643 PolarHBondContact O-N 2.87Å; N641-N644 PolarHBondContact O-N 3Å; N641-N644 VanDerWaalsContact O-N 3.08Å |
| 642 | K | 53.5 | Low | 57.7 | Low | 144 Ų | 144 | 104 Ų | 104 | 63% | 0.626 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 6 | 171.3 | -98.9 | -177.9 | 172.2 | 62.5 | 0 | 115.4 | A638 L640 | A638-K642 VanDerWaalsContact O-CB 3.31Å; A638-K642 WeakPolarHBondContact O-CB 3.38Å; A638-K642 PolarHBondContact O-N 3.25Å; L640-K642 VanDerWaalsContact C-N 3.31Å; L640-K642 PolarHBondContact O-N 2.99Å |
| 643 | N | 48.6 | Very low | 59.7 | Low | 30 Ų | 30 | 100.5 Ų | 100.5 | 16% | 0.16 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -14.3 | 172.1 | -50.2 | -74.5 | 0 | 0 | 0 | 113.2 | I639 L640 N641 Q645 D646 R651 | I639-N643 PolarHBondContact O-ND2 3.26Å; L640-N643 PolarHBondContact O-N 2.93Å; L640-N643 PolarHBondContact O-ND2 3.12Å; N641-N643 PolarHBondContact O-N 2.87Å; N643-Q645 PolarHBondContact O-N 3.28Å; N643-Q645 VanDerWaalsContact O-N 3.09Å; N643-D646 CarbonylContact O-C 3.51Å; N643-D646 PolarHBondContact O-N 3.27Å; N643-R651 VanDerWaalsContact CG-NE 3.32Å; N643-R651 PolarHBondContact ND2-NE 2.96Å; N643-R651 VanDerWaalsContact ND2-NE 3.16Å; N643-R651 PolarHBondContact ND2-NH2 3.08Å; N643-R651 VanDerWaalsContact ND2-NH2 3.14Å; N643-R651 PolarHBondContact OD1-NE 2.9Å; N643-R651 PolarHBondContact OD1-NH2 3.24Å |
| 644 | N | 45.7 | Very low | 61.9 | Low | 109 Ų | 109 | 98 Ų | 98 | 58% | 0.583 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -1.4 | -178.7 | -67.2 | -5.2 | 0 | 0 | 0 | 113.5 | N641 | N641-N644 PolarHBondContact O-N 3Å; N641-N644 VanDerWaalsContact O-N 3.08Å |
| 645 | Q | 45.9 | Very low | 64.2 | Low | 183 Ų | 183 | 97.2 Ų | 97.2 | 86% | 0.855 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -8.2 | 169.7 | -70.9 | -87 | -37 | 0 | 0 | 112.8 | N643 | N643-Q645 PolarHBondContact O-N 3.28Å; N643-Q645 VanDerWaalsContact O-N 3.09Å |
| 646 | D | 47.1 | Very low | 66.2 | Low | 99 Ų | 99 | 91 Ų | 91 | 53% | 0.529 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -111.9 | 77.1 | 167.8 | -97.1 | -15.4 | 0 | 0 | 0 | 107.2 | N643 K648 H649 K722 | N643-D646 CarbonylContact O-C 3.51Å; N643-D646 PolarHBondContact O-N 3.27Å; D646-K648 PolarHBondContact O-N 3.04Å; D646-H649 PolarHBondContact O-N 3.22Å; D646-K722 IonicContact OD2-NZ 2.67Å |
| 647 | R | 46.3 | Very low | 68.3 | Low | 241 Ų | 241 | 92.7 Ų | 92.7 | 91% | 0.909 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 13.9 | -167.9 | -74.9 | -158.8 | -173.1 | -166.1 | 8 | 117.7 | ||
| 648 | K | 63.9 | Low | 70.6 | Confident | 212 Ų | 212 | 95.3 Ų | 95.3 | 92% | 0.922 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.3 | 13.3 | 176.6 | -62.7 | -169.6 | 178.2 | -175.8 | 0 | 115.5 | D646 | D646-K648 PolarHBondContact O-N 3.04Š|
| 649 | H | 76.2 | Confident | 72.8 | Confident | 80 Ų | 80 | 93.5 Ų | 93.5 | 37% | 0.37 | 44% | 0.437 | S | S | . | . | trans | -127.5 | 87.3 | -178.5 | -168.4 | 58.1 | 0 | 0 | 0 | 116 | D646 R651 | D646-H649 PolarHBondContact O-N 3.22Å; H649-R651 PolarHBondContact O-N 2.97Å | ||
| 650 | V | 85.5 | Confident | 74.8 | Confident | 52 Ų | 52 | 89.6 Ų | 89.6 | 32% | 0.315 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 126.7 | 167.1 | -165.7 | 0 | 0 | 0 | 0 | 110.3 | F714 W717 | V650-F714 HydrophobicContact CG1-CD1 4Å; V650-F714 HydrophobicContact CG1-CD2 3.66Å; V650-F714 HydrophobicContact CG1-CE1 3.95Å; V650-F714 HydrophobicContact CG1-CE2 3.62Å; V650-F714 HydrophobicContact CG1-CG 3.87Å; V650-F714 HydrophobicContact CG1-CZ 3.76Å; V650-F714 HydrophobicContact CG2-CD1 3.89Å; V650-F714 HydrophobicContact CG2-CE1 3.92Å; V650-F714 HydrophobicContact CG2-CG 4.43Å; V650-W717 PolarHBondContact O-NE1 3.43Å; V650-W717 VanDerWaalsContact O-NE1 3.16Å |
| 651 | R | 89.7 | Confident | 76.9 | Confident | 99 Ų | 99 | 87.2 Ų | 87.2 | 37% | 0.374 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 160.6 | 175.8 | -69.9 | -166.5 | -177.4 | 162.5 | 14.6 | 111.9 | I639 N643 H649 H710 | I639-R651 VanDerWaalsContact O-CZ 3.23Å; I639-R651 PolarHBondContact O-NH1 3.18Å; I639-R651 PolarHBondContact O-NH2 2.64Å; N643-R651 VanDerWaalsContact CG-NE 3.32Å; N643-R651 PolarHBondContact ND2-NE 2.96Å; N643-R651 VanDerWaalsContact ND2-NE 3.16Å; N643-R651 PolarHBondContact ND2-NH2 3.08Å; N643-R651 VanDerWaalsContact ND2-NH2 3.14Å; N643-R651 PolarHBondContact OD1-NE 2.9Å; N643-R651 PolarHBondContact OD1-NH2 3.24Å; H649-R651 PolarHBondContact O-N 2.97Å; R651-H710 PolarHBondContact O-CE1 3.06Å |
| 652 | R | 92.2 | Very high | 79 | Confident | 144 Ų | 144 | 87.1 Ų | 87.1 | 54% | 0.543 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -64 | 153.2 | 168.8 | -57.2 | 179.7 | -179.1 | -93.5 | 17.2 | 111 | W717 W719 | R652-W717 HydrophobicContact CB-CH2 4.22Å; R652-W717 HydrophobicContact CB-CZ2 4.25Å; R652-W717 HydrophobicContact CG-CH2 3.97Å; R652-W717 HydrophobicContact CG-CZ2 3.93Å; R652-W719 VanDerWaalsContact NH1-CG 3.31Å; R652-W719 VanDerWaalsContact NH2-CZ2 3.25Å |
| 653 | P | 95.2 | Very high | 81 | Confident | 36 Ų | 36 | 83.8 Ų | 83.8 | 23% | 0.234 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 157.6 | 165.4 | 29.3 | -32.9 | 0 | 0 | 0 | 111.1 | L706 K707 H710 | P653-L706 VanDerWaalsContact CB-O 3.31Å; P653-L706 WeakPolarHBondContact CB-O 3.3Å; P653-K707 HydrophobicContact CB-CB 4.4Å; P653-K707 HydrophobicContact CG-CB 4.33Å; P653-K707 HydrophobicContact CG-CG 4.4Å; P653-H710 HydrophobicContact CB-CB 3.88Å; P653-H710 HydrophobicContact CG-CB 4.3Å |
| 654 | M | 94.5 | Very high | 83.3 | Confident | 55 Ų | 55 | 84.7 Ų | 84.7 | 27% | 0.271 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 147 | -179.7 | -152.3 | 174.5 | -60.5 | 0 | 0 | 110.7 | I658 I659 M662 L706 | M654-I658 HydrophobicContact CG-CB 3.69Å; M654-I658 HydrophobicContact CG-CG2 3.52Å; M654-I658 HydrophobicContact SD-CB 4.38Å; M654-I658 HydrophobicContact SD-CG2 3.84Å; M654-I659 HydrophobicContact CB-CG1 4.05Å; M654-I659 HydrophobicContact CG-CG1 3.74Å; M654-I659 HydrophobicContact SD-CB 4.22Å; M654-I659 HydrophobicContact SD-CG1 3.57Å; M654-I659 VanDerWaalsContact SD-CG1 3.57Å; M654-M662 HydrophobicContact CE-CE 3.92Å; M654-M662 HydrophobicContact CE-SD 3.84Å; M654-M662 HydrophobicContact SD-CE 3.89Å; M654-M662 HydrophobicContact SD-SD 4.12Å; M654-L706 HydrophobicContact CB-CD1 4.08Å |
| 655 | N | 97.1 | Very high | 85.7 | Confident | 90 Ų | 90 | 82.1 Ų | 82.1 | 48% | 0.481 | 37% | 0.373 | S | S | . | . | trans | -104.9 | 163.5 | 171.9 | 80 | 30 | 0 | 0 | 0 | 110.8 | F657 I658 I659 | N655-F657 VanDerWaalsContact C-N 3.33Å; N655-F657 PolarHBondContact O-N 3.21Å; N655-F657 PolarHBondContact OD1-N 2.81Å; N655-I658 WeakPolarHBondContact O-CA 3.5Å; N655-I658 PolarHBondContact O-N 3.31Å; N655-I658 WeakPolarHBondContact OD1-CG1 3.38Å; N655-I658 PolarHBondContact OD1-N 2.99Å; N655-I659 WeakPolarHBondContact O-CG1 3.16Å; N655-I659 PolarHBondContact O-N 3.26Å | ||
| 656 | A | 97.1 | Very high | 88 | Confident | 12 Ų | 12 | 77 Ų | 77 | 10% | 0.099 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -50.1 | -47.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I658 I659 F660 W688 Y699 Q700 A703 | A656-I658 PolarHBondContact O-N 2.82Å; A656-I659 PolarHBondContact O-N 3.27Å; A656-F660 WeakPolarHBondContact O-CB 3.48Å; A656-F660 PolarHBondContact O-N 2.88Å; A656-W688 HydrophobicContact CB-CH2 3.65Å; A656-W688 HydrophobicContact CB-CZ2 4.07Å; A656-Y699 VanDerWaalsContact CA-O 3.27Å; A656-Y699 WeakPolarHBondContact CA-O 3.4Å; A656-Y699 WeakPolarHBondContact CB-O 3.34Å; A656-Q700 HydrophobicContact CB-CG 4.01Å; A656-A703 HydrophobicContact CB-CB 4.07Å |
| 657 | F | 97.6 | Very high | 90.2 | Very high | 61 Ų | 61 | 74.9 Ų | 74.9 | 27% | 0.268 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64 | -38.4 | 177.2 | 174 | -111.6 | 0 | 0 | 0 | 112.7 | N655 F660 S661 W688 | N655-F657 VanDerWaalsContact C-N 3.33Å; N655-F657 PolarHBondContact O-N 3.21Å; N655-F657 PolarHBondContact OD1-N 2.81Å; F657-F660 HydrophobicContact CD2-CD1 4.29Å; F657-F660 HydrophobicContact CE2-CD1 4.4Å; F657-S661 WeakPolarHBondContact O-CB 3.39Å; F657-S661 PolarHBondContact O-N 2.91Å; F657-S661 PolarHBondContact O-OG 3.27Å; F657-W688 HydrophobicContact CB-CD2 4.32Å; F657-W688 HydrophobicContact CD2-CB 3.64Å; F657-W688 AromaticContact CD2-CD1 3.8Å; F657-W688 AromaticContact CD2-CD2 3.9Å; F657-W688 HydrophobicContact CD2-CD2 3.9Å; F657-W688 AromaticContact CD2-CG 3.46Å; F657-W688 HydrophobicContact CD2-CG 3.46Å; F657-W688 VanDerWaalsContact CD2-CG 3.46Å; F657-W688 HydrophobicContact CE2-CB 3.78Å; F657-W688 HydrophobicContact CE2-CG 4.11Å; F657-W688 HydrophobicContact CG-CG 4.42Å |
| 658 | I | 96.8 | Very high | 92.6 | Very high | 78 Ų | 78 | 63.4 Ų | 63.4 | 40% | 0.4 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.3 | -39.1 | 177.2 | -58.3 | -61.6 | 0 | 0 | 0 | 110.8 | M654 N655 A656 S661 M662 | M654-I658 HydrophobicContact CG-CB 3.69Å; M654-I658 HydrophobicContact CG-CG2 3.52Å; M654-I658 HydrophobicContact SD-CB 4.38Å; M654-I658 HydrophobicContact SD-CG2 3.84Å; N655-I658 WeakPolarHBondContact O-CA 3.5Å; N655-I658 PolarHBondContact O-N 3.31Å; N655-I658 WeakPolarHBondContact OD1-CG1 3.38Å; N655-I658 PolarHBondContact OD1-N 2.99Å; A656-I658 PolarHBondContact O-N 2.82Å; I658-S661 WeakPolarHBondContact CA-OG 3.36Å; I658-S661 PolarHBondContact O-N 3.02Å; I658-S661 PolarHBondContact O-OG 3.01Å; I658-M662 WeakPolarHBondContact O-CB 3.37Å; I658-M662 PolarHBondContact O-N 3.44Å |
| 659 | I | 96.6 | Very high | 94 | Very high | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.4 | -52.9 | 173.4 | -57.6 | 165.9 | 0 | 0 | 0 | 110.1 | M654 N655 A656 S661 M662 R663 Y699 L702 A703 L706 | M654-I659 HydrophobicContact CB-CG1 4.05Å; M654-I659 HydrophobicContact CG-CG1 3.74Å; M654-I659 HydrophobicContact SD-CB 4.22Å; M654-I659 HydrophobicContact SD-CG1 3.57Å; M654-I659 VanDerWaalsContact SD-CG1 3.57Å; N655-I659 WeakPolarHBondContact O-CG1 3.16Å; N655-I659 PolarHBondContact O-N 3.26Å; A656-I659 PolarHBondContact O-N 3.27Å; I659-S661 VanDerWaalsContact C-N 3.33Å; I659-S661 PolarHBondContact O-N 2.75Å; I659-M662 WeakPolarHBondContact O-CB 3.33Å; I659-M662 PolarHBondContact O-N 3.03Å; I659-R663 PolarHBondContact O-N 3.18Å; I659-Y699 HydrophobicContact CB-CD1 4.3Å; I659-Y699 HydrophobicContact CG2-CD1 3.87Å; I659-Y699 HydrophobicContact CG2-CE1 4.37Å; I659-L702 HydrophobicContact CD1-CB 4.23Å; I659-L702 HydrophobicContact CD1-CD2 4.5Å; I659-L702 HydrophobicContact CD1-CG 4.13Å; I659-L702 HydrophobicContact CG2-CD2 4.08Å; I659-A703 HydrophobicContact CD1-CB 3.84Å; I659-L706 HydrophobicContact CD1-CD1 3.9Å; I659-L706 HydrophobicContact CG1-CD1 4.28Å |
| 660 | F | 98 | Very high | 94.9 | Very high | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -53.9 | -48.8 | 175.5 | 168.6 | -93.3 | 0 | 0 | 0 | 111.9 | A656 F657 M662 R663 H664 L684 W687 W688 L691 Y699 | A656-F660 WeakPolarHBondContact O-CB 3.48Å; A656-F660 PolarHBondContact O-N 2.88Å; F657-F660 HydrophobicContact CD2-CD1 4.29Å; F657-F660 HydrophobicContact CE2-CD1 4.4Å; F660-M662 PolarHBondContact O-N 2.78Å; F660-R663 PolarHBondContact O-N 3.31Å; F660-H664 AromaticContact CD2-CE1 3.41Å; F660-H664 VanDerWaalsContact CD2-CE1 3.41Å; F660-H664 WeakPolarHBondContact CD2-CE1 3.46Å; F660-H664 AromaticContact CD2-ND1 3.23Å; F660-H664 WeakPolarHBondContact CD2-ND1 3.41Å; F660-H664 AromaticContact CE2-CE1 3.24Å; F660-H664 WeakPolarHBondContact CE2-CE1 3.47Å; F660-H664 AromaticContact CE2-CG 3.81Å; F660-H664 AromaticContact CE2-ND1 3.11Å; F660-H664 WeakPolarHBondContact CE2-ND1 3.28Å; F660-H664 AromaticContact CE2-NE2 4Å; F660-H664 AromaticContact CG-ND1 3.83Å; F660-H664 HydrophobicContact CZ-CB 4.33Å; F660-H664 AromaticContact CZ-CG 3.93Å; F660-H664 AromaticContact CZ-ND1 3.63Å; F660-H664 PolarHBondContact O-N 3.06Å; F660-H664 VanDerWaalsContact O-N 3.08Å; F660-H664 PolarHBondContact O-ND1 2.98Å; F660-L684 HydrophobicContact CE1-CD2 4.25Å; F660-L684 WeakPolarHBondContact CE1-O 3.31Å; F660-W687 HydrophobicContact CE1-CB 4.26Å; F660-W687 HydrophobicContact CZ-CB 3.89Å; F660-W687 HydrophobicContact CZ-CE3 4.42Å; F660-W688 HydrophobicContact CB-CE3 3.62Å; F660-W688 HydrophobicContact CB-CZ3 3.75Å; F660-W688 HydrophobicContact CD1-CB 3.99Å; F660-W688 HydrophobicContact CD1-CD2 4.48Å; F660-W688 AromaticContact CD1-CE3 3.85Å; F660-W688 HydrophobicContact CD1-CE3 3.85Å; F660-W688 AromaticContact CD2-CE3 3.98Å; F660-W688 HydrophobicContact CD2-CE3 3.98Å; F660-W688 HydrophobicContact CD2-CZ3 4.41Å; F660-W688 HydrophobicContact CE1-CB 3.91Å; F660-W688 AromaticContact CG-CE3 3.52Å; F660-W688 HydrophobicContact CG-CE3 3.52Å; F660-W688 HydrophobicContact CG-CZ3 4.08Å; F660-L691 HydrophobicContact CD2-CD1 3.82Å; F660-L691 HydrophobicContact CE2-CD1 3.61Å; F660-L691 HydrophobicContact CE2-CG 4.43Å; F660-L691 HydrophobicContact CZ-CD1 4.34Å; F660-Y699 HydrophobicContact CB-CD1 3.95Å; F660-Y699 HydrophobicContact CB-CD2 4.5Å; F660-Y699 HydrophobicContact CB-CE1 4.2Å; F660-Y699 HydrophobicContact CB-CG 4.13Å; F660-Y699 HydrophobicContact CD2-CD2 4.39Å; F660-Y699 HydrophobicContact CD2-CE2 4.02Å |
| 661 | S | 97.1 | Very high | 95.3 | Very high | 16 Ų | 16 | 62.4 Ų | 62.4 | 11% | 0.112 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.4 | -25.3 | 179.1 | 80.7 | 0 | 0 | 0 | 0 | 112.5 | F657 I658 I659 R665 | F657-S661 WeakPolarHBondContact O-CB 3.39Å; F657-S661 PolarHBondContact O-N 2.91Å; F657-S661 PolarHBondContact O-OG 3.27Å; I658-S661 WeakPolarHBondContact CA-OG 3.36Å; I658-S661 PolarHBondContact O-N 3.02Å; I658-S661 PolarHBondContact O-OG 3.01Å; I659-S661 VanDerWaalsContact C-N 3.33Å; I659-S661 PolarHBondContact O-N 2.75Å; S661-R665 WeakPolarHBondContact O-CB 3.45Å; S661-R665 PolarHBondContact O-N 3.36Å |
| 662 | M | 95 | Very high | 95.5 | Very high | 79 Ų | 79 | 61.5 Ų | 61.5 | 39% | 0.389 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -78 | -37.6 | 179.6 | -172.2 | 171.8 | 70.5 | 0 | 0 | 112.2 | L636 M654 I658 I659 F660 | L636-M662 HydrophobicContact CD1-CE 3.72Å; L636-M662 HydrophobicContact CD1-SD 3.36Å; L636-M662 WeakPolarHBondContact CD1-SD 3.12Å; L636-M662 HydrophobicContact CD2-CE 4.3Å; M654-M662 HydrophobicContact CE-CE 3.92Å; M654-M662 HydrophobicContact CE-SD 3.84Å; M654-M662 HydrophobicContact SD-CE 3.89Å; M654-M662 HydrophobicContact SD-SD 4.12Å; I658-M662 WeakPolarHBondContact O-CB 3.37Å; I658-M662 PolarHBondContact O-N 3.44Å; I659-M662 WeakPolarHBondContact O-CB 3.33Å; I659-M662 PolarHBondContact O-N 3.03Å; F660-M662 PolarHBondContact O-N 2.78Å |
| 663 | R | 95.5 | Very high | 95.5 | Very high | 75 Ų | 75 | 58.7 Ų | 58.7 | 28% | 0.283 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.9 | -55.6 | 170.8 | -157.7 | -179.4 | -163 | 156.7 | 10.8 | 109.3 | I659 F660 S666 Y699 E851 N852 | I659-R663 PolarHBondContact O-N 3.18Å; F660-R663 PolarHBondContact O-N 3.31Å; R663-S666 PolarHBondContact O-OG 2.81Å; R663-S666 VanDerWaalsContact O-OG 3.09Å; R663-Y699 WeakPolarHBondContact CD-OH 3.14Å; R663-Y699 PolarHBondContact NH1-OH 3.49Å; R663-Y699 VanDerWaalsContact NH1-OH 3.16Å; R663-E851 IonicContact CZ-OE2 2.8Å; R663-E851 IonicContact NH1-OE2 2.68Å; R663-E851 PolarHBondContact NH1-OE2 2.84Å; R663-E851 IonicContact NH2-OE2 3.72Å; R663-N852 PolarHBondContact NH2-OD1 2.8Å |
| 664 | H | 95.7 | Very high | 95.4 | Very high | 48 Ų | 48 | 63.1 Ų | 63.1 | 22% | 0.222 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -85.9 | -12.6 | -166.7 | -61 | 95.3 | 0 | 0 | 0 | 116.5 | F660 S666 E667 V668 L684 W687 Y699 | F660-H664 AromaticContact CD2-CE1 3.41Å; F660-H664 VanDerWaalsContact CD2-CE1 3.41Å; F660-H664 WeakPolarHBondContact CD2-CE1 3.46Å; F660-H664 AromaticContact CD2-ND1 3.23Å; F660-H664 WeakPolarHBondContact CD2-ND1 3.41Å; F660-H664 AromaticContact CE2-CE1 3.24Å; F660-H664 WeakPolarHBondContact CE2-CE1 3.47Å; F660-H664 AromaticContact CE2-CG 3.81Å; F660-H664 AromaticContact CE2-ND1 3.11Å; F660-H664 WeakPolarHBondContact CE2-ND1 3.28Å; F660-H664 AromaticContact CE2-NE2 4Å; F660-H664 AromaticContact CG-ND1 3.83Å; F660-H664 HydrophobicContact CZ-CB 4.33Å; F660-H664 AromaticContact CZ-CG 3.93Å; F660-H664 AromaticContact CZ-ND1 3.63Å; F660-H664 PolarHBondContact O-N 3.06Å; F660-H664 VanDerWaalsContact O-N 3.08Å; F660-H664 PolarHBondContact O-ND1 2.98Å; H664-S666 PolarHBondContact O-N 3.35Å; H664-E667 WeakPolarHBondContact O-CB 3.35Å; H664-E667 PolarHBondContact O-N 3.49Å; H664-E667 VanDerWaalsContact O-N 3.08Å; H664-V668 PolarHBondContact O-N 3.03Å; H664-L684 HydrophobicContact CB-CD2 3.51Å; H664-W687 HydrophobicContact CB-CE3 4.22Å; H664-W687 HydrophobicContact CB-CZ3 4.1Å; H664-Y699 PolarHBondContact CE1-OH 2.94Å |
| 665 | R | 95.7 | Very high | 95.2 | Very high | 55 Ų | 55 | 66.2 Ų | 66.2 | 21% | 0.208 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.7 | -25.9 | 179 | -176.5 | 174.2 | -146.2 | 90.6 | 4.5 | 113.7 | S661 E667 H669 N677 S681 L684 | S661-R665 WeakPolarHBondContact O-CB 3.45Å; S661-R665 PolarHBondContact O-N 3.36Å; R665-E667 VanDerWaalsContact C-N 3.34Å; R665-H669 WeakPolarHBondContact O-CB 3.03Å; R665-H669 VanDerWaalsContact O-CG 3.25Å; R665-H669 PolarHBondContact O-N 2.93Å; R665-H669 VanDerWaalsContact O-N 3.12Å; R665-N677 PolarHBondContact NE-OD1 2.71Å; R665-N677 PolarHBondContact NH2-O 3.37Å; R665-N677 PolarHBondContact NH2-OD1 3.16Å; R665-S681 PolarHBondContact NH1-OG 3.14Å; R665-S681 PolarHBondContact NH2-OG 3.31Å; R665-L684 HydrophobicContact CB-CD1 3.79Å; R665-L684 HydrophobicContact CG-CD1 4.18Å |
| 666 | S | 94.2 | Very high | 95 | Very high | 76 Ų | 76 | 66.2 Ų | 66.2 | 53% | 0.531 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 171.2 | 56.1 | 0 | 0 | 0 | 0 | 110.8 | R663 H664 H669 R670 | R663-S666 PolarHBondContact O-OG 2.81Å; R663-S666 VanDerWaalsContact O-OG 3.09Å; H664-S666 PolarHBondContact O-N 3.35Å; S666-H669 CarbonylContact O-C 3.5Å; S666-H669 PolarHBondContact O-N 2.61Å; S666-R670 PolarHBondContact O-N 2.79Å |
| 667 | E | 95.1 | Very high | 94.7 | Very high | 55 Ų | 55 | 70.3 Ų | 70.3 | 26% | 0.257 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.8 | -43.9 | 178.9 | -174.8 | 52.5 | -151.3 | 0 | 0 | 113 | H664 R665 H669 R670 L671 W687 | H664-E667 WeakPolarHBondContact O-CB 3.35Å; H664-E667 PolarHBondContact O-N 3.49Å; H664-E667 VanDerWaalsContact O-N 3.08Å; R665-E667 VanDerWaalsContact C-N 3.34Å; E667-H669 PolarHBondContact O-N 3.35Å; E667-R670 VanDerWaalsContact CD-NE 3.29Å; E667-R670 WeakPolarHBondContact O-CA 3.43Å; E667-R670 VanDerWaalsContact O-CB 3.31Å; E667-R670 WeakPolarHBondContact O-CB 3.46Å; E667-R670 PolarHBondContact O-N 3.01Å; E667-R670 IonicContact OE1-CZ 2.62Å; E667-R670 VanDerWaalsContact OE1-CZ 3.24Å; E667-R670 IonicContact OE1-NE 3.7Å; E667-R670 PolarHBondContact OE1-NE 3.03Å; E667-R670 IonicContact OE1-NH2 2.8Å; E667-R670 PolarHBondContact OE1-NH2 3.16Å; E667-R670 WeakPolarHBondContact OE2-CD 3.49Å; E667-R670 IonicContact OE2-CZ 3.24Å; E667-R670 IonicContact OE2-NE 3Å; E667-R670 PolarHBondContact OE2-NE 3.2Å; E667-R670 IonicContact OE2-NH2 2.67Å; E667-L671 HydrophobicContact CG-CD1 4.33Å; E667-L671 PolarHBondContact O-N 2.97Å; E667-L671 WeakPolarHBondContact OE1-CG 3.14Å; E667-W687 HydrophobicContact CG-CH2 4.13Å; E667-W687 HydrophobicContact CG-CZ3 4.43Å |
| 668 | V | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.9 | -31 | 173.1 | 173.4 | 0 | 0 | 0 | 0 | 112 | H664 Y672 A680 I683 L684 W687 | H664-V668 PolarHBondContact O-N 3.03Å; V668-Y672 HydrophobicContact CG1-CD2 4.1Å; V668-Y672 WeakPolarHBondContact O-CA 3.32Å; V668-Y672 VanDerWaalsContact O-CB 3.28Å; V668-Y672 WeakPolarHBondContact O-CB 3.18Å; V668-Y672 WeakPolarHBondContact O-CD2 3.49Å; V668-Y672 PolarHBondContact O-N 3.2Å; V668-A680 HydrophobicContact CG1-CB 3.78Å; V668-I683 HydrophobicContact CG1-CB 4.12Å; V668-I683 HydrophobicContact CG1-CD1 4.19Å; V668-I683 HydrophobicContact CG1-CG2 4.06Å; V668-I683 HydrophobicContact CG2-CG2 3.93Å; V668-L684 HydrophobicContact CB-CD2 4.4Å; V668-L684 HydrophobicContact CB-CG 4.41Å; V668-L684 HydrophobicContact CG2-CD2 3.57Å; V668-L684 HydrophobicContact CG2-CG 3.86Å; V668-W687 HydrophobicContact CG2-CD2 4.35Å; V668-W687 HydrophobicContact CG2-CE3 3.92Å; V668-W687 HydrophobicContact CG2-CH2 3.45Å; V668-W687 VanDerWaalsContact CG2-CH2 3.45Å; V668-W687 HydrophobicContact CG2-CZ2 3.89Å; V668-W687 HydrophobicContact CG2-CZ3 3.47Å; V668-W687 VanDerWaalsContact CG2-CZ3 3.47Å |
| 669 | H | 94 | Very high | 94.5 | Very high | 74 Ų | 74 | 75.4 Ų | 75.4 | 34% | 0.343 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -80.7 | -12.5 | 170.9 | -66.8 | 170.1 | 0 | 0 | 0 | 114.1 | R665 S666 E667 P673 | R665-H669 WeakPolarHBondContact O-CB 3.03Å; R665-H669 VanDerWaalsContact O-CG 3.25Å; R665-H669 PolarHBondContact O-N 2.93Å; R665-H669 VanDerWaalsContact O-N 3.12Å; S666-H669 CarbonylContact O-C 3.5Å; S666-H669 PolarHBondContact O-N 2.61Å; E667-H669 PolarHBondContact O-N 3.35Å; H669-P673 VanDerWaalsContact O-CA 3.3Å; H669-P673 WeakPolarHBondContact O-CA 3.48Å |
| 670 | R | 94.9 | Very high | 94.4 | Very high | 169 Ų | 169 | 75.2 Ų | 75.2 | 64% | 0.638 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -80.5 | -50 | 171.3 | -171.3 | -173.8 | 73.2 | 96.6 | -1.1 | 110.4 | S666 E667 | S666-R670 PolarHBondContact O-N 2.79Å; E667-R670 VanDerWaalsContact CD-NE 3.29Å; E667-R670 WeakPolarHBondContact O-CA 3.43Å; E667-R670 VanDerWaalsContact O-CB 3.31Å; E667-R670 WeakPolarHBondContact O-CB 3.46Å; E667-R670 PolarHBondContact O-N 3.01Å; E667-R670 IonicContact OE1-CZ 2.62Å; E667-R670 VanDerWaalsContact OE1-CZ 3.24Å; E667-R670 IonicContact OE1-NE 3.7Å; E667-R670 PolarHBondContact OE1-NE 3.03Å; E667-R670 IonicContact OE1-NH2 2.8Å; E667-R670 PolarHBondContact OE1-NH2 3.16Å; E667-R670 WeakPolarHBondContact OE2-CD 3.49Å; E667-R670 IonicContact OE2-CZ 3.24Å; E667-R670 IonicContact OE2-NE 3Å; E667-R670 PolarHBondContact OE2-NE 3.2Å; E667-R670 IonicContact OE2-NH2 2.67Å |
| 671 | L | 94.5 | Very high | 94.3 | Very high | 79 Ų | 79 | 77.4 Ų | 77.4 | 41% | 0.414 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.2 | -36.4 | 178 | -61.4 | 174.8 | 0 | 0 | 0 | 112.5 | E667 P673 W687 | E667-L671 HydrophobicContact CG-CD1 4.33Å; E667-L671 PolarHBondContact O-N 2.97Å; E667-L671 WeakPolarHBondContact OE1-CG 3.14Å; L671-P673 VanDerWaalsContact C-CD 3.42Å; L671-P673 WeakPolarHBondContact O-CD 3.26Å; L671-W687 HydrophobicContact CD1-CH2 3.94Å; L671-W687 HydrophobicContact CD1-CZ2 4.01Å |
| 672 | Y | 93.9 | Very high | 94.3 | Very high | 80 Ų | 80 | 82.2 Ų | 82.2 | 31% | 0.314 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -125.4 | 58.2 | -173.6 | -52.1 | -78.2 | 0 | 0 | 0 | 112.7 | V668 N674 K675 I683 | V668-Y672 HydrophobicContact CG1-CD2 4.1Å; V668-Y672 WeakPolarHBondContact O-CA 3.32Å; V668-Y672 VanDerWaalsContact O-CB 3.28Å; V668-Y672 WeakPolarHBondContact O-CB 3.18Å; V668-Y672 WeakPolarHBondContact O-CD2 3.49Å; V668-Y672 PolarHBondContact O-N 3.2Å; Y672-N674 PolarHBondContact O-N 3.03Å; Y672-N674 VanDerWaalsContact O-N 3.08Å; Y672-K675 PolarHBondContact O-N 2.85Å; Y672-I683 HydrophobicContact CD1-CD1 4.45Å; Y672-I683 HydrophobicContact CD2-CD1 3.74Å; Y672-I683 HydrophobicContact CE2-CD1 3.95Å; Y672-I683 HydrophobicContact CE2-CG2 4.13Å; Y672-I683 HydrophobicContact CG-CD1 4Å |
| 673 | P | 92.4 | Very high | 94.4 | Very high | 85 Ų | 85 | 79.8 Ų | 79.8 | 55% | 0.552 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -21.4 | -165 | 26.5 | -36.4 | 0 | 0 | 0 | 115.2 | H669 L671 | H669-P673 VanDerWaalsContact O-CA 3.3Å; H669-P673 WeakPolarHBondContact O-CA 3.48Å; L671-P673 VanDerWaalsContact C-CD 3.42Å; L671-P673 WeakPolarHBondContact O-CD 3.26Å |
| 674 | N | 91.5 | Very high | 94.5 | Very high | 130 Ų | 130 | 76.2 Ų | 76.2 | 70% | 0.695 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 1.2 | 179.5 | -67.1 | -25 | 0 | 0 | 0 | 113.5 | Y672 | Y672-N674 PolarHBondContact O-N 3.03Å; Y672-N674 VanDerWaalsContact O-N 3.08Å |
| 675 | K | 90.6 | Very high | 94.6 | Very high | 120 Ų | 120 | 74.5 Ų | 74.5 | 52% | 0.522 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -85.4 | 148.5 | 178.2 | -58.6 | -60.8 | -173.9 | -177.6 | 0 | 111.1 | Y672 V679 | Y672-K675 PolarHBondContact O-N 2.85Å; K675-V679 HydrophobicContact CB-CB 4.17Å; K675-V679 HydrophobicContact CB-CG1 3.96Å; K675-V679 HydrophobicContact CD-CG1 4.19Å; K675-V679 HydrophobicContact CG-CG1 4.08Å |
| 676 | D | 92.4 | Very high | 94.7 | Very high | 89 Ų | 89 | 75.2 Ų | 75.2 | 48% | 0.476 | 37% | 0.374 | S | S | . | . | trans | -79.1 | 171.2 | -178 | 97.3 | -50.8 | 0 | 0 | 0 | 112.5 | R678 V679 A680 | D676-R678 VanDerWaalsContact CG-N 3.28Å; D676-R678 PolarHBondContact O-N 3.09Å; D676-R678 WeakPolarHBondContact OD1-CB 3.49Å; D676-R678 PolarHBondContact OD1-N 2.84Å; D676-R678 VanDerWaalsContact OD1-N 3.15Å; D676-R678 VanDerWaalsContact OD2-CB 3.26Å; D676-R678 WeakPolarHBondContact OD2-CB 3.41Å; D676-R678 PolarHBondContact OD2-N 2.87Å; D676-V679 PolarHBondContact O-N 2.85Å; D676-V679 WeakPolarHBondContact OD1-CG2 3.18Å; D676-V679 PolarHBondContact OD1-N 3.33Å; D676-A680 WeakPolarHBondContact O-CB 3.33Å; D676-A680 PolarHBondContact O-N 3.48Å | ||
| 677 | N | 92.7 | Very high | 94.9 | Very high | 98 Ų | 98 | 74.4 Ų | 74.4 | 52% | 0.524 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.5 | -17.4 | 179.7 | -82.7 | -79.1 | 0 | 0 | 0 | 113.8 | R665 S681 | R665-N677 PolarHBondContact NE-OD1 2.71Å; R665-N677 PolarHBondContact NH2-O 3.37Å; R665-N677 PolarHBondContact NH2-OD1 3.16Å; N677-S681 WeakPolarHBondContact O-CB 3.46Å; N677-S681 PolarHBondContact O-N 3.29Å; N677-S681 PolarHBondContact O-OG 3.09Å |
| 678 | R | 94 | Very high | 95 | Very high | 195 Ų | 195 | 73.7 Ų | 73.7 | 74% | 0.736 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -75 | -53.8 | 172 | 177.3 | -175.6 | 168.6 | -165.7 | -7 | 110.4 | D676 S681 Q682 | D676-R678 VanDerWaalsContact CG-N 3.28Å; D676-R678 PolarHBondContact O-N 3.09Å; D676-R678 WeakPolarHBondContact OD1-CB 3.49Å; D676-R678 PolarHBondContact OD1-N 2.84Å; D676-R678 VanDerWaalsContact OD1-N 3.15Å; D676-R678 VanDerWaalsContact OD2-CB 3.26Å; D676-R678 WeakPolarHBondContact OD2-CB 3.41Å; D676-R678 PolarHBondContact OD2-N 2.87Å; R678-S681 PolarHBondContact O-N 2.76Å; R678-S681 VanDerWaalsContact O-N 3.09Å; R678-Q682 PolarHBondContact O-N 3.3Å |
| 679 | V | 95.3 | Very high | 95 | Very high | 51 Ų | 51 | 82.1 Ų | 82.1 | 31% | 0.309 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 178 | 174.1 | 0 | 0 | 0 | 0 | 111 | K675 D676 S681 Q682 I683 | K675-V679 HydrophobicContact CB-CB 4.17Å; K675-V679 HydrophobicContact CB-CG1 3.96Å; K675-V679 HydrophobicContact CD-CG1 4.19Å; K675-V679 HydrophobicContact CG-CG1 4.08Å; D676-V679 PolarHBondContact O-N 2.85Å; D676-V679 WeakPolarHBondContact OD1-CG2 3.18Å; D676-V679 PolarHBondContact OD1-N 3.33Å; V679-S681 PolarHBondContact O-N 2.93Å; V679-Q682 WeakPolarHBondContact O-CA 3.38Å; V679-Q682 WeakPolarHBondContact O-CB 3.44Å; V679-Q682 PolarHBondContact O-N 2.86Å; V679-I683 HydrophobicContact CG1-CD1 3.96Å; V679-I683 HydrophobicContact CG1-CG1 4.45Å; V679-I683 WeakPolarHBondContact O-CG1 3.19Å; V679-I683 PolarHBondContact O-N 2.79Å |
| 680 | A | 95 | Very high | 95.2 | Very high | 1 Ų | 1 | 85.5 Ų | 85.5 | 1% | 0.008 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.8 | -30.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | V668 D676 L684 | V668-A680 HydrophobicContact CG1-CB 3.78Å; D676-A680 WeakPolarHBondContact O-CB 3.33Å; D676-A680 PolarHBondContact O-N 3.48Å; A680-L684 WeakPolarHBondContact O-CB 3.45Å; A680-L684 VanDerWaalsContact O-CD1 3.32Å; A680-L684 WeakPolarHBondContact O-CD1 3.42Å; A680-L684 WeakPolarHBondContact O-CG 3.36Å; A680-L684 PolarHBondContact O-N 2.92Å |
| 681 | S | 96.1 | Very high | 95.2 | Very high | 50 Ų | 50 | 79 Ų | 79 | 35% | 0.35 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -83.1 | -17 | 175 | -49.9 | 0 | 0 | 0 | 0 | 113.7 | R665 N677 R678 V679 G685 | R665-S681 PolarHBondContact NH1-OG 3.14Å; R665-S681 PolarHBondContact NH2-OG 3.31Å; N677-S681 WeakPolarHBondContact O-CB 3.46Å; N677-S681 PolarHBondContact O-N 3.29Å; N677-S681 PolarHBondContact O-OG 3.09Å; R678-S681 PolarHBondContact O-N 2.76Å; R678-S681 VanDerWaalsContact O-N 3.09Å; V679-S681 PolarHBondContact O-N 2.93Å; S681-G685 PolarHBondContact O-N 3.34Å |
| 682 | Q | 97.1 | Very high | 95.3 | Very high | 118 Ų | 118 | 80.5 Ų | 80.5 | 55% | 0.551 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -74.7 | -52.5 | 169.4 | -179 | 174.8 | -24.9 | 0 | 0 | 109.4 | R678 V679 L684 G685 D686 | R678-Q682 PolarHBondContact O-N 3.3Å; V679-Q682 WeakPolarHBondContact O-CA 3.38Å; V679-Q682 WeakPolarHBondContact O-CB 3.44Å; V679-Q682 PolarHBondContact O-N 2.86Å; Q682-L684 VanDerWaalsContact C-N 3.3Å; Q682-L684 PolarHBondContact O-N 3.26Å; Q682-G685 CarbonylContact O-C 3.1Å; Q682-G685 VanDerWaalsContact O-CA 3.26Å; Q682-G685 WeakPolarHBondContact O-CA 3.44Å; Q682-G685 PolarHBondContact O-N 2.97Å; Q682-D686 WeakPolarHBondContact CG-OD2 3.41Å; Q682-D686 VanDerWaalsContact O-CG 3.29Å; Q682-D686 PolarHBondContact O-N 2.73Å |
| 683 | I | 96.8 | Very high | 95.4 | Very high | 27 Ų | 27 | 80.7 Ų | 80.7 | 14% | 0.138 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -53.4 | -46.2 | 176.5 | -63 | 166.7 | 0 | 0 | 0 | 111.3 | V668 Y672 V679 G685 D686 W687 | V668-I683 HydrophobicContact CG1-CB 4.12Å; V668-I683 HydrophobicContact CG1-CD1 4.19Å; V668-I683 HydrophobicContact CG1-CG2 4.06Å; V668-I683 HydrophobicContact CG2-CG2 3.93Å; Y672-I683 HydrophobicContact CD1-CD1 4.45Å; Y672-I683 HydrophobicContact CD2-CD1 3.74Å; Y672-I683 HydrophobicContact CE2-CD1 3.95Å; Y672-I683 HydrophobicContact CE2-CG2 4.13Å; Y672-I683 HydrophobicContact CG-CD1 4Å; V679-I683 HydrophobicContact CG1-CD1 3.96Å; V679-I683 HydrophobicContact CG1-CG1 4.45Å; V679-I683 WeakPolarHBondContact O-CG1 3.19Å; V679-I683 PolarHBondContact O-N 2.79Å; I683-G685 VanDerWaalsContact C-N 3.3Å; I683-G685 PolarHBondContact O-N 3.15Å; I683-D686 PolarHBondContact O-N 2.96Å; I683-W687 HydrophobicContact CG2-CD2 4.34Å; I683-W687 HydrophobicContact CG2-CZ2 4.16Å; I683-W687 PolarHBondContact O-N 3.34Å |
| 684 | L | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 81.2 Ų | 81.2 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.5 | -33.5 | 174.3 | -70.4 | 167.2 | 0 | 0 | 0 | 113.2 | F660 H664 R665 V668 A680 Q682 W687 W688 | F660-L684 HydrophobicContact CE1-CD2 4.25Å; F660-L684 WeakPolarHBondContact CE1-O 3.31Å; H664-L684 HydrophobicContact CB-CD2 3.51Å; R665-L684 HydrophobicContact CB-CD1 3.79Å; R665-L684 HydrophobicContact CG-CD1 4.18Å; V668-L684 HydrophobicContact CB-CD2 4.4Å; V668-L684 HydrophobicContact CB-CG 4.41Å; V668-L684 HydrophobicContact CG2-CD2 3.57Å; V668-L684 HydrophobicContact CG2-CG 3.86Å; A680-L684 WeakPolarHBondContact O-CB 3.45Å; A680-L684 VanDerWaalsContact O-CD1 3.32Å; A680-L684 WeakPolarHBondContact O-CD1 3.42Å; A680-L684 WeakPolarHBondContact O-CG 3.36Å; A680-L684 PolarHBondContact O-N 2.92Å; Q682-L684 VanDerWaalsContact C-N 3.3Å; Q682-L684 PolarHBondContact O-N 3.26Å; L684-W687 HydrophobicContact CD2-CE3 4.18Å; L684-W688 VanDerWaalsContact O-CB 3.3Å; L684-W688 WeakPolarHBondContact O-CB 3.3Å; L684-W688 PolarHBondContact O-N 3.17Å |
| 685 | G | 97.7 | Very high | 95.9 | Very high | 12 Ų | 12 | 78.8 Ų | 78.8 | 12% | 0.124 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S681 Q682 I683 W688 Y689 | S681-G685 PolarHBondContact O-N 3.34Å; Q682-G685 CarbonylContact O-C 3.1Å; Q682-G685 VanDerWaalsContact O-CA 3.26Å; Q682-G685 WeakPolarHBondContact O-CA 3.44Å; Q682-G685 PolarHBondContact O-N 2.97Å; I683-G685 VanDerWaalsContact C-N 3.3Å; I683-G685 PolarHBondContact O-N 3.15Å; G685-W688 CarbonylContact O-C 3.57Å; G685-W688 PolarHBondContact O-N 2.97Å; G685-Y689 WeakPolarHBondContact O-CD2 3.39Å; G685-Y689 PolarHBondContact O-N 2.92Å |
| 686 | D | 97.7 | Very high | 96.2 | Very high | 70 Ų | 70 | 74.9 Ų | 74.9 | 37% | 0.374 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66 | -44.5 | -179.9 | -57.1 | -34.9 | 0 | 0 | 0 | 110.8 | Q682 I683 W688 Y689 H690 | Q682-D686 WeakPolarHBondContact CG-OD2 3.41Å; Q682-D686 VanDerWaalsContact O-CG 3.29Å; Q682-D686 PolarHBondContact O-N 2.73Å; I683-D686 PolarHBondContact O-N 2.96Å; D686-W688 PolarHBondContact O-N 2.74Å; D686-Y689 PolarHBondContact O-N 3.27Å; D686-Y689 VanDerWaalsContact O-N 3.08Å; D686-H690 PolarHBondContact O-N 2.99Å; D686-H690 VanDerWaalsContact O-N 3.16Å; D686-H690 PolarHBondContact O-ND1 3.24Å |
| 687 | W | 97.3 | Very high | 96.4 | Very high | 60 Ų | 60 | 72.7 Ų | 72.7 | 23% | 0.227 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -56.4 | -49 | 170.3 | -68.5 | 3.2 | 0 | 0 | 0 | 111.7 | F660 H664 E667 V668 L671 I683 L684 Y689 H690 L691 | F660-W687 HydrophobicContact CE1-CB 4.26Å; F660-W687 HydrophobicContact CZ-CB 3.89Å; F660-W687 HydrophobicContact CZ-CE3 4.42Å; H664-W687 HydrophobicContact CB-CE3 4.22Å; H664-W687 HydrophobicContact CB-CZ3 4.1Å; E667-W687 HydrophobicContact CG-CH2 4.13Å; E667-W687 HydrophobicContact CG-CZ3 4.43Å; V668-W687 HydrophobicContact CG2-CD2 4.35Å; V668-W687 HydrophobicContact CG2-CE3 3.92Å; V668-W687 HydrophobicContact CG2-CH2 3.45Å; V668-W687 VanDerWaalsContact CG2-CH2 3.45Å; V668-W687 HydrophobicContact CG2-CZ2 3.89Å; V668-W687 HydrophobicContact CG2-CZ3 3.47Å; V668-W687 VanDerWaalsContact CG2-CZ3 3.47Å; L671-W687 HydrophobicContact CD1-CH2 3.94Å; L671-W687 HydrophobicContact CD1-CZ2 4.01Å; I683-W687 HydrophobicContact CG2-CD2 4.34Å; I683-W687 HydrophobicContact CG2-CZ2 4.16Å; I683-W687 PolarHBondContact O-N 3.34Å; L684-W687 HydrophobicContact CD2-CE3 4.18Å; W687-Y689 PolarHBondContact O-N 2.75Å; W687-H690 PolarHBondContact O-N 3.07Å; W687-H690 VanDerWaalsContact O-N 3.11Å; W687-L691 PolarHBondContact O-N 2.97Å |
| 688 | W | 97.9 | Very high | 96.6 | Very high | 39 Ų | 39 | 70.1 Ų | 70.1 | 15% | 0.148 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.3 | -28.2 | 176.1 | 175.7 | -96.6 | 0 | 0 | 0 | 112.9 | A656 F657 F660 L684 G685 D686 L691 K696 Y699 | A656-W688 HydrophobicContact CB-CH2 3.65Å; A656-W688 HydrophobicContact CB-CZ2 4.07Å; F657-W688 HydrophobicContact CB-CD2 4.32Å; F657-W688 HydrophobicContact CD2-CB 3.64Å; F657-W688 AromaticContact CD2-CD1 3.8Å; F657-W688 AromaticContact CD2-CD2 3.9Å; F657-W688 HydrophobicContact CD2-CD2 3.9Å; F657-W688 AromaticContact CD2-CG 3.46Å; F657-W688 HydrophobicContact CD2-CG 3.46Å; F657-W688 VanDerWaalsContact CD2-CG 3.46Å; F657-W688 HydrophobicContact CE2-CB 3.78Å; F657-W688 HydrophobicContact CE2-CG 4.11Å; F657-W688 HydrophobicContact CG-CG 4.42Å; F660-W688 HydrophobicContact CB-CE3 3.62Å; F660-W688 HydrophobicContact CB-CZ3 3.75Å; F660-W688 HydrophobicContact CD1-CB 3.99Å; F660-W688 HydrophobicContact CD1-CD2 4.48Å; F660-W688 AromaticContact CD1-CE3 3.85Å; F660-W688 HydrophobicContact CD1-CE3 3.85Å; F660-W688 AromaticContact CD2-CE3 3.98Å; F660-W688 HydrophobicContact CD2-CE3 3.98Å; F660-W688 HydrophobicContact CD2-CZ3 4.41Å; F660-W688 HydrophobicContact CE1-CB 3.91Å; F660-W688 AromaticContact CG-CE3 3.52Å; F660-W688 HydrophobicContact CG-CE3 3.52Å; F660-W688 HydrophobicContact CG-CZ3 4.08Å; L684-W688 VanDerWaalsContact O-CB 3.3Å; L684-W688 WeakPolarHBondContact O-CB 3.3Å; L684-W688 PolarHBondContact O-N 3.17Å; G685-W688 CarbonylContact O-C 3.57Å; G685-W688 PolarHBondContact O-N 2.97Å; D686-W688 PolarHBondContact O-N 2.74Å; W688-L691 HydrophobicContact CE3-CD1 3.98Å; W688-L691 HydrophobicContact CZ3-CD1 4.33Å; W688-K696 HydrophobicContact CH2-CB 4.2Å; W688-K696 HydrophobicContact CH2-CG 3.95Å; W688-K696 HydrophobicContact CZ2-CG 4.2Å; W688-K696 HydrophobicContact CZ3-CG 4.13Å; W688-K696 WeakPolarHBondContact O-CE 3.06Å; W688-K696 PolarHBondContact O-NZ 3.08Å; W688-Y699 HydrophobicContact CZ3-CD2 4.1Å; W688-Y699 HydrophobicContact CZ3-CG 4.11Å |
| 689 | Y | 96.8 | Very high | 96.8 | Very high | 177 Ų | 177 | 61.9 Ų | 61.9 | 69% | 0.694 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -70.4 | -41.5 | 173.5 | -81.1 | -63.7 | 0 | 0 | 0 | 112.1 | G685 D686 W687 K696 | G685-Y689 WeakPolarHBondContact O-CD2 3.39Å; G685-Y689 PolarHBondContact O-N 2.92Å; D686-Y689 PolarHBondContact O-N 3.27Å; D686-Y689 VanDerWaalsContact O-N 3.08Å; W687-Y689 PolarHBondContact O-N 2.75Å; Y689-K696 PolarHBondContact O-NZ 3.09Å |
| 690 | H | 96.8 | Very high | 96.9 | Very high | 146 Ų | 146 | 63.4 Ų | 63.4 | 68% | 0.676 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -71.4 | -30.6 | -176.8 | -70.1 | 86.8 | 0 | 0 | 0 | 115.1 | D686 W687 N692 | D686-H690 PolarHBondContact O-N 2.99Å; D686-H690 VanDerWaalsContact O-N 3.16Å; D686-H690 PolarHBondContact O-ND1 3.24Å; W687-H690 PolarHBondContact O-N 3.07Å; W687-H690 VanDerWaalsContact O-N 3.11Å; H690-N692 PolarHBondContact O-N 2.68Å |
| 691 | L | 96.1 | Very high | 96.9 | Very high | 32 Ų | 32 | 66.8 Ų | 66.8 | 17% | 0.168 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -51.4 | 140.2 | 176.2 | -64.6 | -178.3 | 0 | 0 | 0 | 112.3 | F660 W687 W688 E695 K696 | F660-L691 HydrophobicContact CD2-CD1 3.82Å; F660-L691 HydrophobicContact CE2-CD1 3.61Å; F660-L691 HydrophobicContact CE2-CG 4.43Å; F660-L691 HydrophobicContact CZ-CD1 4.34Å; W687-L691 PolarHBondContact O-N 2.97Å; W688-L691 HydrophobicContact CE3-CD1 3.98Å; W688-L691 HydrophobicContact CZ3-CD1 4.33Å; L691-E695 HydrophobicContact CB-CB 4.06Å; L691-E695 HydrophobicContact CD2-CB 4.13Å; L691-E695 WeakPolarHBondContact CD2-OE1 3.24Å; L691-E695 HydrophobicContact CG-CB 4.47Å; L691-K696 HydrophobicContact CB-CD 4.32Å; L691-K696 HydrophobicContact CB-CG 3.87Å; L691-K696 HydrophobicContact CD1-CG 4.33Å; L691-K696 WeakPolarHBondContact O-CD 3.48Å; L691-K696 VanDerWaalsContact O-CE 3.29Å; L691-K696 WeakPolarHBondContact O-CE 3.49Å; L691-K696 PolarHBondContact O-NZ 3.22Å |
| 692 | N | 96.6 | Very high | 96.9 | Very high | 110 Ų | 110 | 65.1 Ų | 65.1 | 59% | 0.588 | 34% | 0.339 | S | S | * | . | trans | -73 | 172.2 | 175.9 | -66.7 | -80.3 | 0 | 0 | 0 | 112.4 | H690 S694 E695 K696 | H690-N692 PolarHBondContact O-N 2.68Å; N692-S694 PolarHBondContact O-N 3.08Å; N692-E695 WeakPolarHBondContact CB-OE2 3.18Å; N692-E695 PolarHBondContact N-OE2 3.32Å; N692-E695 PolarHBondContact ND2-OE2 3.19Å; N692-E695 PolarHBondContact O-N 2.92Å; N692-K696 WeakPolarHBondContact O-CB 3.03Å; N692-K696 WeakPolarHBondContact O-CD 3.25Å; N692-K696 VanDerWaalsContact O-CG 3.29Å; N692-K696 WeakPolarHBondContact O-CG 3.2Å; N692-K696 PolarHBondContact O-N 3.15Å | ||
| 693 | A | 96.3 | Very high | 96.9 | Very high | 84 Ų | 84 | 60.2 Ų | 60.2 | 69% | 0.694 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -35 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A697 | A693-A697 PolarHBondContact O-N 3.22Š|
| 694 | S | 96.2 | Very high | 96.9 | Very high | 97 Ų | 97 | 65.2 Ų | 65.2 | 68% | 0.678 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -54.6 | 176.1 | -168.8 | 0 | 0 | 0 | 0 | 111.8 | N692 K696 A697 P698 | N692-S694 PolarHBondContact O-N 3.08Å; S694-K696 PolarHBondContact O-N 3.06Å; S694-K696 VanDerWaalsContact O-N 3.16Å; S694-A697 WeakPolarHBondContact O-CA 3.24Å; S694-A697 WeakPolarHBondContact O-CB 3.31Å; S694-A697 PolarHBondContact O-N 2.77Å; S694-P698 VanDerWaalsContact O-CD 3.3Å; S694-P698 WeakPolarHBondContact O-CD 3.11Å |
| 695 | E | 96.3 | Very high | 96.9 | Very high | 79 Ų | 79 | 66.8 Ų | 66.8 | 37% | 0.369 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -29.2 | 177.2 | -62.6 | 162.6 | 81.1 | 0 | 0 | 112.9 | L691 N692 Y699 | L691-E695 HydrophobicContact CB-CB 4.06Å; L691-E695 HydrophobicContact CD2-CB 4.13Å; L691-E695 WeakPolarHBondContact CD2-OE1 3.24Å; L691-E695 HydrophobicContact CG-CB 4.47Å; N692-E695 WeakPolarHBondContact CB-OE2 3.18Å; N692-E695 PolarHBondContact N-OE2 3.32Å; N692-E695 PolarHBondContact ND2-OE2 3.19Å; N692-E695 PolarHBondContact O-N 2.92Å; E695-Y699 WeakPolarHBondContact O-CD2 3.19Å |
| 696 | K | 97.2 | Very high | 96.7 | Very high | 37 Ų | 37 | 67.3 Ų | 67.3 | 16% | 0.161 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -77.5 | -15.7 | 173.1 | -73.9 | 166.4 | 165.2 | 141.9 | 0 | 113.7 | W688 Y689 L691 N692 S694 Q700 | W688-K696 HydrophobicContact CH2-CB 4.2Å; W688-K696 HydrophobicContact CH2-CG 3.95Å; W688-K696 HydrophobicContact CZ2-CG 4.2Å; W688-K696 HydrophobicContact CZ3-CG 4.13Å; W688-K696 WeakPolarHBondContact O-CE 3.06Å; W688-K696 PolarHBondContact O-NZ 3.08Å; Y689-K696 PolarHBondContact O-NZ 3.09Å; L691-K696 HydrophobicContact CB-CD 4.32Å; L691-K696 HydrophobicContact CB-CG 3.87Å; L691-K696 HydrophobicContact CD1-CG 4.33Å; L691-K696 WeakPolarHBondContact O-CD 3.48Å; L691-K696 VanDerWaalsContact O-CE 3.29Å; L691-K696 WeakPolarHBondContact O-CE 3.49Å; L691-K696 PolarHBondContact O-NZ 3.22Å; N692-K696 WeakPolarHBondContact O-CB 3.03Å; N692-K696 WeakPolarHBondContact O-CD 3.25Å; N692-K696 VanDerWaalsContact O-CG 3.29Å; N692-K696 WeakPolarHBondContact O-CG 3.2Å; N692-K696 PolarHBondContact O-N 3.15Å; S694-K696 PolarHBondContact O-N 3.06Å; S694-K696 VanDerWaalsContact O-N 3.16Å; K696-Q700 WeakPolarHBondContact O-CB 3.31Å; K696-Q700 VanDerWaalsContact O-CG 3.23Å; K696-Q700 WeakPolarHBondContact O-CG 3.03Å; K696-Q700 PolarHBondContact O-N 3.37Å; K696-Q700 VanDerWaalsContact O-N 3.13Å; K696-Q700 PolarHBondContact O-NE2 2.72Å |
| 697 | A | 97.1 | Very high | 96.6 | Very high | 43 Ų | 43 | 69.5 Ų | 69.5 | 36% | 0.355 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.2 | -49.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A693 S694 Y699 Q700 Q701 | A693-A697 PolarHBondContact O-N 3.22Å; S694-A697 WeakPolarHBondContact O-CA 3.24Å; S694-A697 WeakPolarHBondContact O-CB 3.31Å; S694-A697 PolarHBondContact O-N 2.77Å; A697-Y699 PolarHBondContact O-N 2.85Å; A697-Q700 CarbonylContact O-C 3.56Å; A697-Q700 WeakPolarHBondContact O-CA 3.37Å; A697-Q700 WeakPolarHBondContact O-CB 3.26Å; A697-Q700 PolarHBondContact O-N 2.84Å; A697-Q701 PolarHBondContact O-N 3Å |
| 698 | P | 96.7 | Very high | 96.4 | Very high | 45 Ų | 45 | 69 Ų | 69 | 29% | 0.292 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 179 | 20 | -31.7 | 0 | 0 | 0 | 112.2 | S694 Q700 Q701 L702 E851 | S694-P698 VanDerWaalsContact O-CD 3.3Å; S694-P698 WeakPolarHBondContact O-CD 3.11Å; P698-Q700 PolarHBondContact O-N 2.79Å; P698-Q701 PolarHBondContact O-N 2.97Å; P698-Q701 VanDerWaalsContact O-N 3.08Å; P698-L702 PolarHBondContact O-N 2.79Å; P698-E851 WeakPolarHBondContact CB-OE1 2.87Å |
| 699 | Y | 97.9 | Very high | 96.3 | Very high | 21 Ų | 21 | 68.3 Ų | 68.3 | 8% | 0.082 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.8 | -31.9 | 174.3 | -60.9 | -68.7 | 0 | 0 | 0 | 113.1 | A656 I659 F660 R663 H664 W688 E695 A697 A703 | A656-Y699 VanDerWaalsContact CA-O 3.27Å; A656-Y699 WeakPolarHBondContact CA-O 3.4Å; A656-Y699 WeakPolarHBondContact CB-O 3.34Å; I659-Y699 HydrophobicContact CB-CD1 4.3Å; I659-Y699 HydrophobicContact CG2-CD1 3.87Å; I659-Y699 HydrophobicContact CG2-CE1 4.37Å; F660-Y699 HydrophobicContact CB-CD1 3.95Å; F660-Y699 HydrophobicContact CB-CD2 4.5Å; F660-Y699 HydrophobicContact CB-CE1 4.2Å; F660-Y699 HydrophobicContact CB-CG 4.13Å; F660-Y699 HydrophobicContact CD2-CD2 4.39Å; F660-Y699 HydrophobicContact CD2-CE2 4.02Å; R663-Y699 WeakPolarHBondContact CD-OH 3.14Å; R663-Y699 PolarHBondContact NH1-OH 3.49Å; R663-Y699 VanDerWaalsContact NH1-OH 3.16Å; H664-Y699 PolarHBondContact CE1-OH 2.94Å; W688-Y699 HydrophobicContact CZ3-CD2 4.1Å; W688-Y699 HydrophobicContact CZ3-CG 4.11Å; E695-Y699 WeakPolarHBondContact O-CD2 3.19Å; A697-Y699 PolarHBondContact O-N 2.85Å; Y699-A703 WeakPolarHBondContact O-CB 3.16Å; Y699-A703 PolarHBondContact O-N 2.96Å |
| 700 | Q | 97 | Very high | 96.2 | Very high | 83 Ų | 83 | 60.1 Ų | 60.1 | 39% | 0.388 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -76 | -37.3 | 173.6 | -75.9 | 176.2 | 66.9 | 0 | 0 | 112.9 | A656 K696 A697 P698 A703 R704 | A656-Q700 HydrophobicContact CB-CG 4.01Å; K696-Q700 WeakPolarHBondContact O-CB 3.31Å; K696-Q700 VanDerWaalsContact O-CG 3.23Å; K696-Q700 WeakPolarHBondContact O-CG 3.03Å; K696-Q700 PolarHBondContact O-N 3.37Å; K696-Q700 VanDerWaalsContact O-N 3.13Å; K696-Q700 PolarHBondContact O-NE2 2.72Å; A697-Q700 CarbonylContact O-C 3.56Å; A697-Q700 WeakPolarHBondContact O-CA 3.37Å; A697-Q700 WeakPolarHBondContact O-CB 3.26Å; A697-Q700 PolarHBondContact O-N 2.84Å; P698-Q700 PolarHBondContact O-N 2.79Å; Q700-A703 PolarHBondContact O-N 2.87Å; Q700-R704 WeakPolarHBondContact O-CG 3.22Å; Q700-R704 PolarHBondContact O-N 3.18Å |
| 701 | Q | 96.9 | Very high | 96 | Very high | 73 Ų | 73 | 57.3 Ų | 57.3 | 34% | 0.341 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.1 | -52.3 | 176.8 | 178.1 | 57.4 | 18 | 0 | 0 | 111.2 | A697 P698 A703 R704 E705 | A697-Q701 PolarHBondContact O-N 3Å; P698-Q701 PolarHBondContact O-N 2.97Å; P698-Q701 VanDerWaalsContact O-N 3.08Å; Q701-A703 PolarHBondContact O-N 2.81Å; Q701-A703 VanDerWaalsContact O-N 3.17Å; Q701-R704 WeakPolarHBondContact O-CA 3.45Å; Q701-R704 VanDerWaalsContact O-CB 3.32Å; Q701-R704 WeakPolarHBondContact O-CB 3.24Å; Q701-R704 PolarHBondContact O-N 3.16Å; Q701-E705 VanDerWaalsContact CG-OE1 3.32Å; Q701-E705 WeakPolarHBondContact CG-OE1 3.28Å; Q701-E705 PolarHBondContact NE2-OE1 3.44Å; Q701-E705 PolarHBondContact O-N 2.87Å |
| 702 | L | 95.2 | Very high | 95.9 | Very high | 15 Ų | 15 | 63 Ų | 63 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.4 | -28.5 | 176.2 | -174.2 | 56.8 | 0 | 0 | 0 | 112 | I659 P698 L706 A844 L848 | I659-L702 HydrophobicContact CD1-CB 4.23Å; I659-L702 HydrophobicContact CD1-CD2 4.5Å; I659-L702 HydrophobicContact CD1-CG 4.13Å; I659-L702 HydrophobicContact CG2-CD2 4.08Å; P698-L702 PolarHBondContact O-N 2.79Å; L702-L706 HydrophobicContact CD1-CD1 4.4Å; L702-L706 HydrophobicContact CD1-CG 4.21Å; L702-L706 HydrophobicContact CG-CD1 4.13Å; L702-L706 HydrophobicContact CG-CG 4.4Å; L702-L706 WeakPolarHBondContact O-CB 3.48Å; L702-L706 VanDerWaalsContact O-CG 3.25Å; L702-L706 WeakPolarHBondContact O-CG 3.46Å; L702-L706 PolarHBondContact O-N 2.85Å; L702-A844 HydrophobicContact CD1-CB 4.36Å; L702-L848 HydrophobicContact CD2-CD2 4.38Å; L702-L848 HydrophobicContact CD2-CG 4.38Å |
| 703 | A | 97.2 | Very high | 95.7 | Very high | 15 Ų | 15 | 60.8 Ų | 60.8 | 12% | 0.124 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -75.6 | -22.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A656 I659 Y699 Q700 Q701 K707 | A656-A703 HydrophobicContact CB-CB 4.07Å; I659-A703 HydrophobicContact CD1-CB 3.84Å; Y699-A703 WeakPolarHBondContact O-CB 3.16Å; Y699-A703 PolarHBondContact O-N 2.96Å; Q700-A703 PolarHBondContact O-N 2.87Å; Q701-A703 PolarHBondContact O-N 2.81Å; Q701-A703 VanDerWaalsContact O-N 3.17Å; A703-K707 VanDerWaalsContact O-CB 3.22Å; A703-K707 WeakPolarHBondContact O-CB 3.13Å; A703-K707 PolarHBondContact O-N 2.8Å |
| 704 | R | 96.7 | Very high | 95.5 | Very high | 132 Ų | 132 | 60.4 Ų | 60.4 | 50% | 0.498 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -74 | -46.2 | 168.5 | -73 | -178.8 | -70.1 | -103.9 | 9.9 | 110.1 | Q700 Q701 K707 A708 | Q700-R704 WeakPolarHBondContact O-CG 3.22Å; Q700-R704 PolarHBondContact O-N 3.18Å; Q701-R704 WeakPolarHBondContact O-CA 3.45Å; Q701-R704 VanDerWaalsContact O-CB 3.32Å; Q701-R704 WeakPolarHBondContact O-CB 3.24Å; Q701-R704 PolarHBondContact O-N 3.16Å; R704-K707 WeakPolarHBondContact O-CB 3.46Å; R704-K707 PolarHBondContact O-N 3.26Å; R704-A708 WeakPolarHBondContact O-CB 3.5Å; R704-A708 PolarHBondContact O-N 2.84Å |
| 705 | E | 96.7 | Very high | 95.2 | Very high | 32 Ų | 32 | 60.3 Ų | 60.3 | 15% | 0.15 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.1 | -54 | 178.4 | -68.3 | 163.5 | -169.7 | 0 | 0 | 112.2 | Q701 K707 A708 A709 H843 | Q701-E705 VanDerWaalsContact CG-OE1 3.32Å; Q701-E705 WeakPolarHBondContact CG-OE1 3.28Å; Q701-E705 PolarHBondContact NE2-OE1 3.44Å; Q701-E705 PolarHBondContact O-N 2.87Å; E705-K707 PolarHBondContact O-N 2.93Å; E705-A708 PolarHBondContact O-N 2.84Å; E705-A709 PolarHBondContact O-N 2.79Å; E705-H843 IonicContact OE2-CE1 3.39Å; E705-H843 PolarHBondContact OE2-CE1 2.84Å; E705-H843 IonicContact OE2-ND1 3.71Å |
| 706 | L | 94.4 | Very high | 94.7 | Very high | 23 Ų | 23 | 64.4 Ų | 64.4 | 12% | 0.12 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.6 | -24.5 | 176.5 | -76.2 | 174.8 | 0 | 0 | 0 | 113 | P653 M654 I659 L702 H710 L840 A844 | P653-L706 VanDerWaalsContact CB-O 3.31Å; P653-L706 WeakPolarHBondContact CB-O 3.3Å; M654-L706 HydrophobicContact CB-CD1 4.08Å; I659-L706 HydrophobicContact CD1-CD1 3.9Å; I659-L706 HydrophobicContact CG1-CD1 4.28Å; L702-L706 HydrophobicContact CD1-CD1 4.4Å; L702-L706 HydrophobicContact CD1-CG 4.21Å; L702-L706 HydrophobicContact CG-CD1 4.13Å; L702-L706 HydrophobicContact CG-CG 4.4Å; L702-L706 WeakPolarHBondContact O-CB 3.48Å; L702-L706 VanDerWaalsContact O-CG 3.25Å; L702-L706 WeakPolarHBondContact O-CG 3.46Å; L702-L706 PolarHBondContact O-N 2.85Å; L706-H710 WeakPolarHBondContact O-CB 3.06Å; L706-H710 PolarHBondContact O-N 3.33Å; L706-L840 HydrophobicContact CD2-CD1 3.73Å; L706-L840 HydrophobicContact CD2-CG 3.84Å; L706-A844 HydrophobicContact CD2-CB 4Å |
| 707 | K | 94.8 | Very high | 94.3 | Very high | 116 Ų | 116 | 65 Ų | 65 | 50% | 0.504 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -80.3 | -45.8 | 172.3 | 177 | -162.5 | 167.6 | -151.3 | 0 | 111.2 | P653 A703 R704 E705 H710 F711 | P653-K707 HydrophobicContact CB-CB 4.4Å; P653-K707 HydrophobicContact CG-CB 4.33Å; P653-K707 HydrophobicContact CG-CG 4.4Å; A703-K707 VanDerWaalsContact O-CB 3.22Å; A703-K707 WeakPolarHBondContact O-CB 3.13Å; A703-K707 PolarHBondContact O-N 2.8Å; R704-K707 WeakPolarHBondContact O-CB 3.46Å; R704-K707 PolarHBondContact O-N 3.26Å; E705-K707 PolarHBondContact O-N 2.93Å; K707-H710 PolarHBondContact O-N 2.95Å; K707-F711 HydrophobicContact CD-CE2 4.48Å; K707-F711 HydrophobicContact CG-CD2 3.99Å; K707-F711 HydrophobicContact CG-CE2 3.75Å; K707-F711 WeakPolarHBondContact O-CD2 3.35Å; K707-F711 PolarHBondContact O-N 2.85Å; K707-F711 VanDerWaalsContact O-N 3.13Å |
| 708 | A | 94.7 | Very high | 93.6 | Very high | 50 Ų | 50 | 71.4 Ų | 71.4 | 41% | 0.413 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.3 | -54.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R704 E705 H710 F711 Q712 | R704-A708 WeakPolarHBondContact O-CB 3.5Å; R704-A708 PolarHBondContact O-N 2.84Å; E705-A708 PolarHBondContact O-N 2.84Å; A708-H710 VanDerWaalsContact C-N 3.29Å; A708-H710 PolarHBondContact O-N 2.94Å; A708-F711 CarbonylContact O-C 3.56Å; A708-F711 WeakPolarHBondContact O-CA 3.47Å; A708-F711 PolarHBondContact O-N 3.23Å; A708-Q712 PolarHBondContact O-N 3.32Å |
| 709 | A | 94.5 | Very high | 92.8 | Very high | 25 Ų | 25 | 76 Ų | 76 | 21% | 0.207 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.4 | -29.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | E705 F711 Q712 S713 L840 | E705-A709 PolarHBondContact O-N 2.79Å; A709-F711 VanDerWaalsContact C-N 3.34Å; A709-F711 PolarHBondContact O-N 2.92Å; A709-Q712 VanDerWaalsContact CA-OE1 3.27Å; A709-Q712 PolarHBondContact O-N 2.94Å; A709-S713 PolarHBondContact O-N 2.68Å; A709-S713 PolarHBondContact O-OG 2.84Å; A709-S713 VanDerWaalsContact O-OG 3.11Å; A709-L840 HydrophobicContact CB-CD1 3.42Å; A709-L840 VanDerWaalsContact CB-CD1 3.42Å |
| 710 | H | 95.2 | Very high | 91.6 | Very high | 5 Ų | 5 | 78.9 Ų | 78.9 | 2% | 0.023 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.3 | -36.3 | 168 | 173.4 | 82.6 | 0 | 0 | 0 | 113.3 | R651 P653 L706 K707 A708 F714 W717 | R651-H710 PolarHBondContact O-CE1 3.06Å; P653-H710 HydrophobicContact CB-CB 3.88Å; P653-H710 HydrophobicContact CG-CB 4.3Å; L706-H710 WeakPolarHBondContact O-CB 3.06Å; L706-H710 PolarHBondContact O-N 3.33Å; K707-H710 PolarHBondContact O-N 2.95Å; A708-H710 VanDerWaalsContact C-N 3.29Å; A708-H710 PolarHBondContact O-N 2.94Å; H710-F714 AromaticContact CE1-CD2 3.89Å; H710-F714 AromaticContact ND1-CD2 3.68Å; H710-F714 WeakPolarHBondContact O-CB 2.99Å; H710-F714 WeakPolarHBondContact O-CD2 3.18Å; H710-F714 PolarHBondContact O-N 3.29Å; H710-W717 AromaticContact NE2-CD2 3.22Å; H710-W717 AromaticContact NE2-CE2 3.58Å; H710-W717 AromaticContact NE2-CE3 3.37Å; H710-W717 AromaticContact NE2-CG 3.6Å; H710-W717 AromaticContact NE2-CZ3 3.82Å |
| 711 | F | 92.7 | Very high | 90.4 | Very high | 86 Ų | 86 | 77.5 Ų | 77.5 | 38% | 0.377 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -77.3 | -26.3 | 173.8 | -75.4 | -64.9 | 0 | 0 | 0 | 112.9 | K707 A708 A709 F714 P715 W717 | K707-F711 HydrophobicContact CD-CE2 4.48Å; K707-F711 HydrophobicContact CG-CD2 3.99Å; K707-F711 HydrophobicContact CG-CE2 3.75Å; K707-F711 WeakPolarHBondContact O-CD2 3.35Å; K707-F711 PolarHBondContact O-N 2.85Å; K707-F711 VanDerWaalsContact O-N 3.13Å; A708-F711 CarbonylContact O-C 3.56Å; A708-F711 WeakPolarHBondContact O-CA 3.47Å; A708-F711 PolarHBondContact O-N 3.23Å; A709-F711 VanDerWaalsContact C-N 3.34Å; A709-F711 PolarHBondContact O-N 2.92Å; F711-F714 CarbonylContact O-C 3.58Å; F711-P715 WeakPolarHBondContact O-CA 3.41Å; F711-P715 VanDerWaalsContact O-N 3.11Å; F711-W717 AromaticContact CE1-CE3 3.86Å; F711-W717 HydrophobicContact CE1-CE3 3.86Å; F711-W717 HydrophobicContact CE1-CZ3 4.31Å; F711-W717 HydrophobicContact CZ-CE3 4.2Å; F711-W717 HydrophobicContact CZ-CZ3 4.19Å |
| 712 | Q | 93 | Very high | 88.5 | Confident | 151 Ų | 151 | 81.5 Ų | 81.5 | 71% | 0.706 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -69.4 | -48.6 | 171 | -68.8 | 167.2 | -36.7 | 0 | 0 | 111.5 | A708 A709 F714 P715 | A708-Q712 PolarHBondContact O-N 3.32Å; A709-Q712 VanDerWaalsContact CA-OE1 3.27Å; A709-Q712 PolarHBondContact O-N 2.94Å; Q712-F714 VanDerWaalsContact C-N 3.3Å; Q712-F714 PolarHBondContact O-N 3.08Å; Q712-P715 WeakPolarHBondContact O-CD 3.42Å |
| 713 | S | 93.1 | Very high | 86 | Confident | 65 Ų | 65 | 86.5 Ų | 86.5 | 46% | 0.455 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -71 | -22.9 | 176.9 | -49 | 0 | 0 | 0 | 0 | 113.7 | A709 | A709-S713 PolarHBondContact O-N 2.68Å; A709-S713 PolarHBondContact O-OG 2.84Å; A709-S713 VanDerWaalsContact O-OG 3.11Å |
| 714 | F | 91.6 | Very high | 83 | Confident | 75 Ų | 75 | 96 Ų | 96 | 33% | 0.329 | 47% | 0.466 | S | S | . | . | trans | -138.6 | 66.7 | -177.8 | -48.9 | -77.3 | 0 | 0 | 0 | 112 | V650 H710 F711 Q712 N716 W717 | V650-F714 HydrophobicContact CG1-CD1 4Å; V650-F714 HydrophobicContact CG1-CD2 3.66Å; V650-F714 HydrophobicContact CG1-CE1 3.95Å; V650-F714 HydrophobicContact CG1-CE2 3.62Å; V650-F714 HydrophobicContact CG1-CG 3.87Å; V650-F714 HydrophobicContact CG1-CZ 3.76Å; V650-F714 HydrophobicContact CG2-CD1 3.89Å; V650-F714 HydrophobicContact CG2-CE1 3.92Å; V650-F714 HydrophobicContact CG2-CG 4.43Å; H710-F714 AromaticContact CE1-CD2 3.89Å; H710-F714 AromaticContact ND1-CD2 3.68Å; H710-F714 WeakPolarHBondContact O-CB 2.99Å; H710-F714 WeakPolarHBondContact O-CD2 3.18Å; H710-F714 PolarHBondContact O-N 3.29Å; F711-F714 CarbonylContact O-C 3.58Å; Q712-F714 VanDerWaalsContact C-N 3.3Å; Q712-F714 PolarHBondContact O-N 3.08Å; F714-N716 PolarHBondContact O-N 2.98Å; F714-W717 HydrophobicContact CB-CB 3.75Å; F714-W717 WeakPolarHBondContact O-CB 3.34Å; F714-W717 PolarHBondContact O-N 2.56Å | ||
| 715 | P | 89.5 | Confident | 80.3 | Confident | 96 Ų | 96 | 98.3 Ų | 98.3 | 62% | 0.623 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -34.1 | -176 | 24.1 | -34 | 0 | 0 | 0 | 112.4 | F711 Q712 W717 | F711-P715 WeakPolarHBondContact O-CA 3.41Å; F711-P715 VanDerWaalsContact O-N 3.11Å; Q712-P715 WeakPolarHBondContact O-CD 3.42Å; P715-W717 PolarHBondContact O-N 2.64Å |
| 716 | N | 86.3 | Confident | 77.2 | Confident | 164 Ų | 164 | 105.6 Ų | 105.6 | 88% | 0.877 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | 7.4 | 175.2 | -70.1 | -41.8 | 0 | 0 | 0 | 113.9 | F714 K718 | F714-N716 PolarHBondContact O-N 2.98Å; N716-K718 PolarHBondContact O-N 2.95Å |
| 717 | W | 88.3 | Confident | 74.2 | Confident | 50 Ų | 50 | 110 Ų | 110 | 19% | 0.189 | 55% | 0.547 | C | S | . | . | trans | -72.4 | 117.8 | -179.2 | -176.4 | 83.2 | 0 | 0 | 0 | 112.7 | V650 R652 H710 F711 F714 P715 W719 | V650-W717 PolarHBondContact O-NE1 3.43Å; V650-W717 VanDerWaalsContact O-NE1 3.16Å; R652-W717 HydrophobicContact CB-CH2 4.22Å; R652-W717 HydrophobicContact CB-CZ2 4.25Å; R652-W717 HydrophobicContact CG-CH2 3.97Å; R652-W717 HydrophobicContact CG-CZ2 3.93Å; H710-W717 AromaticContact NE2-CD2 3.22Å; H710-W717 AromaticContact NE2-CE2 3.58Å; H710-W717 AromaticContact NE2-CE3 3.37Å; H710-W717 AromaticContact NE2-CG 3.6Å; H710-W717 AromaticContact NE2-CZ3 3.82Å; F711-W717 AromaticContact CE1-CE3 3.86Å; F711-W717 HydrophobicContact CE1-CE3 3.86Å; F711-W717 HydrophobicContact CE1-CZ3 4.31Å; F711-W717 HydrophobicContact CZ-CE3 4.2Å; F711-W717 HydrophobicContact CZ-CZ3 4.19Å; F714-W717 HydrophobicContact CB-CB 3.75Å; F714-W717 WeakPolarHBondContact O-CB 3.34Å; F714-W717 PolarHBondContact O-N 2.56Å; P715-W717 PolarHBondContact O-N 2.64Å; W717-W719 HydrophobicContact CH2-CB 3.73Å; W717-W719 HydrophobicContact CH2-CG 4.49Å; W717-W719 HydrophobicContact CZ2-CB 4.07Å; W717-W719 HydrophobicContact CZ3-CB 4.16Å | ||
| 718 | K | 82.8 | Confident | 71.4 | Confident | 178 Ų | 178 | 113.5 Ų | 113.5 | 77% | 0.774 | 57% | 0.565 | S | S | * | * | trans | -115.9 | 119.1 | 174.6 | -165.2 | 168.9 | -166.7 | 160.7 | 0 | 109.4 | N716 S720 | N716-K718 PolarHBondContact O-N 2.95Å; K718-S720 PolarHBondContact O-N 2.9Å | ||
| 719 | W | 80.8 | Confident | 68.5 | Low | 140 Ų | 140 | 115.1 Ų | 115.1 | 53% | 0.53 | 59% | 0.586 | S | S | . | * | trans | -57.5 | 108.1 | 177.7 | 172.1 | 53.2 | 0 | 0 | 0 | 111.2 | R652 W717 | R652-W719 VanDerWaalsContact NH1-CG 3.31Å; R652-W719 VanDerWaalsContact NH2-CZ2 3.25Å; W717-W719 HydrophobicContact CH2-CB 3.73Å; W717-W719 HydrophobicContact CH2-CG 4.49Å; W717-W719 HydrophobicContact CZ2-CB 4.07Å; W717-W719 HydrophobicContact CZ3-CB 4.16Å | ||
| 720 | S | 73.3 | Confident | 65.7 | Low | 82 Ų | 82 | 117.2 Ų | 117.2 | 57% | 0.573 | 61% | 0.61 | S | S | * | * | trans | -98.1 | 125.9 | 168.9 | -66.5 | 0 | 0 | 0 | 0 | 109.4 | K718 K722 | K718-S720 PolarHBondContact O-N 2.9Å; S720-K722 PolarHBondContact O-N 3.16Å | ||
| 721 | S | 70.7 | Confident | 62.7 | Low | 55 Ų | 55 | 124.5 Ų | 124.5 | 39% | 0.385 | 65% | 0.649 | S | S | . | * | trans | -59.2 | 129.7 | 163.7 | 51.7 | 0 | 0 | 0 | 0 | 108.8 | Q723 | S721-Q723 PolarHBondContact O-N 3.03Š| ||
| 722 | K | 58.1 | Low | 60.5 | Low | 156 Ų | 156 | 128 Ų | 128 | 68% | 0.678 | 67% | 0.67 | S | S | * | * | trans | -68.8 | 70.9 | 171 | -166.5 | 161.6 | -174.2 | 161.1 | 0 | 109.3 | D646 S720 | D646-K722 IonicContact OD2-NZ 2.67Å; S720-K722 PolarHBondContact O-N 3.16Å | ||
| 723 | Q | 41.7 | Very low | 57.7 | Low | 121 Ų | 121 | 130.5 Ų | 130.5 | 57% | 0.565 | 68% | 0.679 | S | S | * | * | trans | -56.2 | 141.7 | 166.4 | -86.4 | -175.8 | -107 | 0 | 0 | 107.5 | S721 L725 | S721-Q723 PolarHBondContact O-N 3.03Å; Q723-L725 PolarHBondContact O-N 2.77Å | ||
| 724 | R | 35.1 | Very low | 55.1 | Low | 213 Ų | 213 | 136.9 Ų | 136.9 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | trans | -69.4 | 132.8 | -161.8 | -58.3 | 169.4 | 174 | 140.5 | -5.4 | 109.8 | R726 | R724-R726 HydrophobicContact CB-CB 3.8Å; R724-R726 HydrophobicContact CB-CG 4.35Å; R724-R726 PolarHBondContact O-N 3.41Å | ||
| 725 | L | 39.8 | Very low | 52 | Low | 182 Ų | 182 | 144.3 Ų | 144.3 | 95% | 0.953 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -70.7 | 65.8 | 145.6 | -72.9 | 171.8 | 0 | 0 | 0 | 108.7 | Q723 | Q723-L725 PolarHBondContact O-N 2.77Š|
| 726 | R | 30.8 | Very low | 48.9 | Very low | 184 Ų | 184 | 145.1 Ų | 145.1 | 69% | 0.694 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -150.2 | 94.5 | 168.8 | -69.5 | -64.6 | 166.7 | 161 | -9.8 | 107.8 | R724 | R724-R726 HydrophobicContact CB-CB 3.8Å; R724-R726 HydrophobicContact CB-CG 4.35Å; R724-R726 PolarHBondContact O-N 3.41Å |
| 727 | S | 31.5 | Very low | 46.4 | Very low | 117 Ų | 117 | 143 Ų | 143 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 70.2 | 75.5 | 154.7 | -49.8 | 0 | 0 | 0 | 0 | 117.4 | ||
| 728 | E | 35.7 | Very low | 43.6 | Very low | 189 Ų | 189 | 146.9 Ų | 146.9 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | trans | -151.4 | 113.3 | 154.7 | -106.5 | 148.3 | -164.5 | 0 | 0 | 107.5 | ||||
| 729 | G | 33.9 | Very low | 41.2 | Very low | 83 Ų | 83 | 146.1 Ų | 146.1 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | trans | 148.5 | 87 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 730 | G | 35.3 | Very low | 38.7 | Very low | 70 Ų | 70 | 144.2 Ų | 144.2 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | -86.1 | 177.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I732 | G730-I732 PolarHBondContact O-N 2.97Š| ||
| 731 | N | 32.4 | Very low | 36.9 | Very low | 158 Ų | 158 | 147.1 Ų | 147.1 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | -53.8 | 124 | -177.5 | -58.5 | -78.9 | 0 | 0 | 0 | 113.5 | ||||
| 732 | I | 46.1 | Very low | 35.1 | Very low | 158 Ų | 158 | 149.6 Ų | 149.6 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -145.5 | 138.9 | 142.2 | -97.5 | 152.8 | 0 | 0 | 0 | 106.6 | G730 K734 | G730-I732 PolarHBondContact O-N 2.97Å; I732-K734 PolarHBondContact O-N 2.96Å | ||
| 733 | K | 35.7 | Very low | 34.3 | Very low | 205 Ų | 205 | 149.5 Ų | 149.5 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | trans | -72.2 | 117 | 172.9 | -61.3 | 172.8 | -175 | 171.9 | 0 | 108.8 | ||||
| 734 | K | 37.5 | Very low | 34 | Very low | 198 Ų | 198 | 148.9 Ų | 148.9 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -114.5 | 124 | 139.2 | -74.9 | -162.8 | 173.1 | -169 | 0 | 107.1 | I732 | I732-K734 PolarHBondContact O-N 2.96Š| ||
| 735 | R | 27.8 | Very low | 34 | Very low | 231 Ų | 231 | 143.2 Ų | 143.2 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -59 | 154 | 168.1 | -60.3 | 175.7 | -179 | 168.4 | -0.3 | 107.4 | P737 | R735-P737 WeakPolarHBondContact O-CD 3.33Š|
| 736 | C | 24.2 | Very low | 33.8 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 129.9 | 152.4 | -58.8 | 0 | 0 | 0 | 0 | 106.8 | ||
| 737 | P | 33.5 | Very low | 34.1 | Very low | 121 Ų | 121 | 141 Ų | 141 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 131.1 | 142 | -13.4 | 30.1 | 0 | 0 | 0 | 106.7 | R735 | R735-P737 WeakPolarHBondContact O-CD 3.33Š|
| 738 | T | 29 | Very low | 34.2 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 141.1 | -176.3 | -47.8 | 0 | 0 | 0 | 0 | 110.7 | ||
| 739 | H | 31.9 | Very low | 34.1 | Very low | 161 Ų | 161 | 138 Ų | 138 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | trans | 65.8 | 162.8 | 170.9 | -115.3 | -130.1 | 0 | 0 | 0 | 115.3 | ||||
| 740 | C | 29.3 | Very low | 34.1 | Very low | 101 Ų | 101 | 141 Ų | 141 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | cis | -126.8 | 150.7 | 12.6 | 50.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 741 | N | 35.7 | Very low | 33.8 | Very low | 143 Ų | 143 | 143 Ų | 143 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | trans | -97.8 | 148.2 | 146.1 | -67.7 | -23.8 | 0 | 0 | 0 | 107.3 | ||||
| 742 | S | 32.6 | Very low | 33.7 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | -166.4 | 157.3 | 160.4 | 45.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 743 | H | 40.7 | Very low | 33.1 | Very low | 153 Ų | 153 | 138 Ų | 138 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | cis | -102.5 | -109.3 | -27.2 | -167.7 | -154.2 | 0 | 0 | 0 | 107.6 | E745 | H743-E745 PolarHBondContact CE1-N 3.46Å; H743-E745 VanDerWaalsContact CE1-N 3.28Å; H743-E745 IonicContact CE1-OE1 3.13Å; H743-E745 PolarHBondContact CE1-OE1 2.98Å; H743-E745 PolarHBondContact ND1-N 3.15Å; H743-E745 VanDerWaalsContact ND1-N 3.17Å; H743-E745 IonicContact ND1-OE1 2.69Å; H743-E745 PolarHBondContact ND1-OE1 3.21Å | ||
| 744 | P | 36.2 | Very low | 33 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 71% | 0.708 | 73% | 0.731 | S | S | * | * | cis | -95 | 158.8 | -26.8 | 6.7 | 16.5 | 0 | 0 | 0 | 113.2 | ||||
| 745 | E | 34.5 | Very low | 32.8 | Very low | 93 Ų | 93 | 130.2 Ų | 130.2 | 44% | 0.435 | 73% | 0.727 | S | S | . | * | trans | 37.2 | 135.2 | 130.8 | -51.3 | -45.2 | 97.7 | 0 | 0 | 120.5 | H743 R747 | H743-E745 PolarHBondContact CE1-N 3.46Å; H743-E745 VanDerWaalsContact CE1-N 3.28Å; H743-E745 IonicContact CE1-OE1 3.13Å; H743-E745 PolarHBondContact CE1-OE1 2.98Å; H743-E745 PolarHBondContact ND1-N 3.15Å; H743-E745 VanDerWaalsContact ND1-N 3.17Å; H743-E745 IonicContact ND1-OE1 2.69Å; H743-E745 PolarHBondContact ND1-OE1 3.21Å; E745-R747 IonicContact OE2-CZ 2.63Å; E745-R747 IonicContact OE2-NE 2.74Å; E745-R747 PolarHBondContact OE2-NE 3.23Å; E745-R747 IonicContact OE2-NH2 2.64Å; E745-R747 PolarHBondContact OE2-NH2 2.91Å | ||
| 746 | T | 36.5 | Very low | 33 | Very low | 127 Ų | 127 | 126.3 Ų | 126.3 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | cis | -147.6 | 172.3 | 20 | 34.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 747 | R | 35.8 | Very low | 33.3 | Very low | 194 Ų | 194 | 128.5 Ų | 128.5 | 73% | 0.732 | 73% | 0.725 | S | S | * | * | cis | -169.1 | 174.2 | -34.7 | -105.3 | -179 | -173.3 | -149.4 | -5.4 | 106.4 | E745 | E745-R747 IonicContact OE2-CZ 2.63Å; E745-R747 IonicContact OE2-NE 2.74Å; E745-R747 PolarHBondContact OE2-NE 3.23Å; E745-R747 IonicContact OE2-NH2 2.64Å; E745-R747 PolarHBondContact OE2-NH2 2.91Å | ||
| 748 | T | 34.3 | Very low | 33.1 | Very low | 145 Ų | 145 | 128.1 Ų | 128.1 | 89% | 0.89 | 72% | 0.721 | S | S | * | * | trans | 69.7 | 145.1 | 170.7 | 67.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 749 | S | 33.9 | Very low | 33.2 | Very low | 97 Ų | 97 | 127.7 Ų | 127.7 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | cis | -149.6 | 136.3 | 9 | 59.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 750 | L | 32.8 | Very low | 33.3 | Very low | 147 Ų | 147 | 127.9 Ų | 127.9 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | trans | 69.1 | 117.2 | 138.3 | -64.1 | 168.2 | 0 | 0 | 0 | 123.1 | ||||
| 751 | T | 29.4 | Very low | 33.3 | Very low | 110 Ų | 110 | 131 Ų | 131 | 68% | 0.675 | 72% | 0.717 | S | S | * | * | trans | 69.4 | 148.4 | 136.3 | 62.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 752 | D | 29.5 | Very low | 33.2 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 65% | 0.647 | 72% | 0.718 | S | S | * | * | cis | -151.2 | 154.6 | 10.4 | -156 | -15.6 | 0 | 0 | 0 | 112.4 | ||||
| 753 | S | 35.1 | Very low | 33.2 | Very low | 92 Ų | 92 | 130.5 Ų | 130.5 | 64% | 0.643 | 71% | 0.712 | S | S | * | * | trans | 58.4 | 115.4 | 146.5 | -80.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 754 | S | 33.2 | Very low | 32.9 | Very low | 93 Ų | 93 | 129.5 Ų | 129.5 | 65% | 0.65 | 72% | 0.717 | S | S | * | * | 90.1 | 93.4 | 117.8 | -67.7 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 755 | N | 32.2 | Very low | 32.9 | Very low | 146 Ų | 146 | 130.4 Ų | 130.4 | 78% | 0.781 | 71% | 0.711 | S | S | * | * | 74.8 | 153.8 | 109.5 | -73 | -51.3 | 0 | 0 | 0 | 123 | |||||
| 756 | L | 31.8 | Very low | 32.9 | Very low | 149 Ų | 149 | 131.8 Ų | 131.8 | 78% | 0.78 | 72% | 0.722 | S | S | * | * | trans | 75.5 | 112.7 | 171.2 | -47.4 | -176.7 | 0 | 0 | 0 | 115.6 | ||||
| 757 | L | 30.7 | Very low | 32.8 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 83% | 0.827 | 71% | 0.714 | S | S | * | * | 87.5 | 165.3 | 51.3 | -79.5 | 173.3 | 0 | 0 | 0 | 114.7 | |||||
| 758 | V | 30.7 | Very low | 32.4 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 69% | 0.685 | 71% | 0.714 | S | S | * | * | trans | 97.2 | 85.9 | 165.9 | -169.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 759 | N | 30.2 | Very low | 32.1 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 65% | 0.652 | 71% | 0.706 | S | S | * | * | 69.8 | 167.3 | 129 | -58.3 | 4.4 | 0 | 0 | 0 | 118.9 | |||||
| 760 | E | 34.5 | Very low | 32.3 | Very low | 166 Ų | 166 | 130.3 Ų | 130.3 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | cis | -145.4 | 168.7 | 12.5 | -149.2 | 154.4 | 116.2 | 0 | 0 | 115.1 | ||||
| 761 | F | 28.3 | Very low | 31.9 | Very low | 165 Ų | 165 | 129.8 Ų | 129.8 | 72% | 0.724 | 72% | 0.716 | S | S | * | * | trans | -52.7 | 171.5 | -179.2 | -68.8 | -107.2 | 0 | 0 | 0 | 115.2 | ||||
| 762 | L | 33.6 | Very low | 31.8 | Very low | 150 Ų | 150 | 130.1 Ų | 130.1 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | cis | -158.4 | 149.5 | 48.4 | -80.7 | 163 | 0 | 0 | 0 | 115.6 | ||||
| 763 | S | 33 | Very low | 31.6 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | 18.2 | 150.2 | 129.7 | -44.1 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 764 | V | 35.5 | Very low | 31.1 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | -160.9 | 140.8 | 51.4 | 161.1 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 765 | E | 36.1 | Very low | 30.8 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 60% | 0.598 | 74% | 0.742 | S | S | * | * | cis | -155.1 | -152.4 | -12.6 | -113.6 | -161.8 | 118.5 | 0 | 0 | 105.1 | K767 | E765-K767 WeakPolarHBondContact OE1-CE 3.49Š| ||
| 766 | N | 33.8 | Very low | 30.5 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 65% | 0.652 | 74% | 0.741 | S | S | * | * | cis | -161.7 | 138.1 | 5.6 | -134.8 | -72.6 | 0 | 0 | 0 | 104.8 | ||||
| 767 | K | 34.2 | Very low | 30.5 | Very low | 142 Ų | 142 | 136.5 Ų | 136.5 | 62% | 0.617 | 74% | 0.742 | S | S | * | * | cis | -162 | 137.3 | -12.2 | -121.5 | -172 | -168.4 | 178.4 | 0 | 108.7 | E765 | E765-K767 WeakPolarHBondContact OE1-CE 3.49Š| ||
| 768 | L | 28.6 | Very low | 30.4 | Very low | 138 Ų | 138 | 135.1 Ų | 135.1 | 72% | 0.723 | 73% | 0.734 | S | S | * | * | trans | 61 | 145.7 | 153 | -45 | 177.3 | 0 | 0 | 0 | 118.8 | ||||
| 769 | N | 28 | Very low | 30.3 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | cis | -155.1 | 146 | -12.6 | -116 | 2.7 | 0 | 0 | 0 | 111.4 | ||||
| 770 | P | 37.3 | Very low | 30.3 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 75% | 0.747 | 74% | 0.739 | S | S | * | * | trans | -105.3 | 172.2 | 169.7 | 40.5 | -33.5 | 0 | 0 | 0 | 112.5 | ||||
| 771 | C | 24.4 | Very low | 30.6 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 92% | 0.919 | 73% | 0.733 | S | S | * | * | trans | -165.8 | 176.4 | 144.2 | -130.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 772 | S | 26.7 | Very low | 30.8 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | trans | -111 | -175.5 | -168.4 | -55.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 773 | F | 25.1 | Very low | 30.7 | Very low | 196 Ų | 196 | 130 Ų | 130 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | trans | -63.4 | 168.2 | 177.7 | -115.5 | -107.4 | 0 | 0 | 0 | 115.8 | ||||
| 774 | T | 25.4 | Very low | 30.5 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | trans | 76.6 | 118.5 | 164.2 | 59.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 775 | S | 27.1 | Very low | 30.1 | Very low | 102 Ų | 102 | 132.9 Ų | 132.9 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | 60.6 | 104.2 | 129 | -55.2 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 776 | N | 26.4 | Very low | 29.7 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | trans | 75.6 | 133.4 | 133.2 | -69.5 | -19.6 | 0 | 0 | 0 | 121.9 | ||||
| 777 | Q | 30.4 | Very low | 29.3 | Very low | 171 Ų | 171 | 133.6 Ų | 133.6 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | trans | 72.7 | 128.3 | 148.8 | -75.3 | -169.7 | 64.7 | 0 | 0 | 118.6 | ||||
| 778 | I | 28.9 | Very low | 28.9 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 67% | 0.667 | 76% | 0.76 | S | S | * | * | cis | -153.2 | 173.5 | -12.7 | -14.1 | 163 | 0 | 0 | 0 | 109.8 | ||||
| 779 | N | 28.5 | Very low | 29.1 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 61% | 0.61 | 76% | 0.761 | S | S | * | * | trans | 71.7 | 105.1 | 160 | -60.7 | 2.2 | 0 | 0 | 0 | 116.2 | ||||
| 780 | E | 31.3 | Very low | 28.9 | Very low | 175 Ų | 175 | 131.2 Ų | 131.2 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | 87.2 | 138.2 | 75.2 | -81.3 | 172.6 | -162.7 | 0 | 0 | 112.1 | |||||
| 781 | S | 39.8 | Very low | 28.4 | Very low | 95 Ų | 95 | 132.8 Ų | 132.8 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | cis | -147 | 152.6 | 19.6 | 35.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 782 | D | 32.9 | Very low | 28.6 | Very low | 152 Ų | 152 | 133.3 Ų | 133.3 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | 49.6 | 142.2 | 144.2 | -50.8 | -26 | 0 | 0 | 0 | 122.9 | ||||
| 783 | G | 32.2 | Very low | 28.7 | Very low | 73 Ų | 73 | 134.3 Ų | 134.3 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | trans | 165.9 | -1.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 784 | I | 27.5 | Very low | 28.9 | Very low | 137 Ų | 137 | 128.7 Ų | 128.7 | 70% | 0.703 | 74% | 0.737 | S | S | * | * | trans | 57.8 | 107.7 | 131.9 | -65.5 | 175.4 | 0 | 0 | 0 | 120 | ||||
| 785 | L | 27.5 | Very low | 29.2 | Very low | 145 Ų | 145 | 129.7 Ų | 129.7 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | trans | 78.4 | 134.1 | 139.4 | -66 | 171.4 | 0 | 0 | 0 | 124.7 | ||||
| 786 | T | 27.1 | Very low | 29.6 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | trans | 64.4 | 123.7 | 143.8 | 51.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 787 | N | 26.1 | Very low | 29.9 | Very low | 150 Ų | 150 | 129.6 Ų | 129.6 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | 60.1 | 107.6 | 56.4 | -69.7 | -12.6 | 0 | 0 | 0 | 114.9 | |||||
| 788 | S | 26.7 | Very low | 30.2 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 84% | 0.839 | 72% | 0.724 | S | S | * | * | trans | 151.2 | 150.5 | 132.3 | -69.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 789 | A | 31.3 | Very low | 30.6 | Very low | 91 Ų | 91 | 126.7 Ų | 126.7 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | trans | 63.6 | 135.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 790 | L | 25.2 | Very low | 30.8 | Very low | 156 Ų | 156 | 126.7 Ų | 126.7 | 82% | 0.817 | 73% | 0.726 | S | S | * | * | cis | 64.6 | 146.9 | 35.1 | -58.2 | -178.9 | 0 | 0 | 0 | 114.2 | ||||
| 791 | N | 26.3 | Very low | 30.9 | Very low | 148 Ų | 148 | 125.7 Ų | 125.7 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | trans | 67.5 | 146.4 | -174.1 | -60.5 | 0.2 | 0 | 0 | 0 | 112.5 | ||||
| 792 | E | 27.5 | Very low | 30.5 | Very low | 148 Ų | 148 | 125.1 Ų | 125.1 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | cis | -162.2 | 169.4 | 5.5 | -137.4 | -174.3 | 157.3 | 0 | 0 | 111.9 | ||||
| 793 | L | 29.5 | Very low | 30.4 | Very low | 139 Ų | 139 | 124.4 Ų | 124.4 | 73% | 0.728 | 72% | 0.721 | S | S | * | * | trans | 68.1 | 147.3 | 154.4 | -60 | 162.9 | 0 | 0 | 0 | 117 | ||||
| 794 | S | 28.7 | Very low | 30.5 | Very low | 78 Ų | 78 | 125.6 Ų | 125.6 | 55% | 0.545 | 72% | 0.718 | S | S | . | * | cis | -170 | 156.9 | -2.4 | -121.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 795 | L | 32.9 | Very low | 30.8 | Very low | 144 Ų | 144 | 127 Ų | 127 | 75% | 0.754 | 72% | 0.721 | S | S | * | * | trans | 61 | 138.2 | 148.1 | -54.9 | 161.6 | 0 | 0 | 0 | 117.6 | ||||
| 796 | N | 35.1 | Very low | 31 | Very low | 116 Ų | 116 | 125 Ų | 125 | 62% | 0.62 | 72% | 0.72 | S | S | * | * | cis | -152.3 | 138 | 2.5 | -99.8 | -23.2 | 0 | 0 | 0 | 107.5 | ||||
| 797 | N | 31.7 | Very low | 31.2 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 67% | 0.674 | 72% | 0.723 | S | S | * | * | 58.6 | 127.9 | 90.5 | -66.1 | 31.3 | 0 | 0 | 0 | 112.7 | |||||
| 798 | E | 37.1 | Very low | 31.5 | Very low | 152 Ų | 152 | 126.1 Ų | 126.1 | 71% | 0.71 | 72% | 0.721 | S | S | * | * | cis | -160.9 | -169.3 | 14.3 | -120.2 | 172.5 | -110.7 | 0 | 0 | 110.2 | ||||
| 799 | S | 38.1 | Very low | 31.5 | Very low | 88 Ų | 88 | 127.4 Ų | 127.4 | 62% | 0.615 | 72% | 0.718 | S | S | * | * | cis | -155.1 | 160.3 | 19.6 | -149.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 800 | T | 33.4 | Very low | 31.4 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 70% | 0.699 | 72% | 0.717 | S | S | * | * | trans | -1.3 | 147.8 | 150 | -4.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 801 | I | 32.5 | Very low | 31.8 | Very low | 153 Ų | 153 | 128.7 Ų | 128.7 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | cis | -143.4 | 122.8 | 31.8 | -65.5 | 178.2 | 0 | 0 | 0 | 113.6 | ||||
| 802 | A | 31.7 | Very low | 32 | Very low | 83 Ų | 83 | 129.1 Ų | 129.1 | 69% | 0.686 | 72% | 0.722 | S | S | * | * | trans | 37.2 | 155.2 | 131.6 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 803 | L | 30.8 | Very low | 32.1 | Very low | 138 Ų | 138 | 129.3 Ų | 129.3 | 72% | 0.723 | 73% | 0.726 | S | S | * | * | cis | -169.2 | 172.6 | -15.4 | -105.3 | 174.2 | 0 | 0 | 0 | 105.9 | Q805 | L803-Q805 HydrophobicContact CD2-CG 4.13Š| ||
| 804 | S | 34.3 | Very low | 32.2 | Very low | 98 Ų | 98 | 126.8 Ų | 126.8 | 69% | 0.685 | 72% | 0.72 | S | S | * | * | cis | -137.9 | 168.1 | 4 | -88.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 805 | Q | 33.7 | Very low | 32.3 | Very low | 165 Ų | 165 | 130.7 Ų | 130.7 | 77% | 0.771 | 73% | 0.73 | S | S | * | * | cis | 90.5 | 93.7 | 26.4 | -69.4 | -159.7 | 6.5 | 0 | 0 | 118.5 | L803 | L803-Q805 HydrophobicContact CD2-CG 4.13Š| ||
| 806 | S | 32.3 | Very low | 32.3 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | trans | -174.1 | 118.3 | 137.6 | 49.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 807 | N | 30.6 | Very low | 32.2 | Very low | 142 Ų | 142 | 131.6 Ų | 131.6 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | 70.6 | 132.6 | 72.4 | -64.6 | -18 | 0 | 0 | 0 | 111.7 | |||||
| 808 | L | 31.3 | Very low | 32.1 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | cis | -141.3 | 157.2 | 21 | -72.6 | 174.9 | 0 | 0 | 0 | 110.3 | ||||
| 809 | N | 27.9 | Very low | 31.6 | Very low | 147 Ų | 147 | 132.9 Ų | 132.9 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | 59.9 | 140.6 | 63.2 | -66.6 | -9.9 | 0 | 0 | 0 | 114.9 | |||||
| 810 | A | 29.8 | Very low | 31.2 | Very low | 87 Ų | 87 | 134.1 Ų | 134.1 | 72% | 0.719 | 73% | 0.734 | S | S | * | * | cis | -168.3 | -153.8 | -11.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 811 | E | 32.9 | Very low | 31 | Very low | 186 Ų | 186 | 134.1 Ų | 134.1 | 87% | 0.869 | 73% | 0.73 | S | S | * | * | trans | 77.9 | 111.8 | 172.7 | -54.1 | -172.9 | 175.8 | 0 | 0 | 116.4 | ||||
| 812 | N | 29.5 | Very low | 30.9 | Very low | 157 Ų | 157 | 133 Ų | 133 | 84% | 0.84 | 72% | 0.721 | S | S | * | * | cis | 96.4 | 159.9 | 14.4 | -152.6 | 3.5 | 0 | 0 | 0 | 115.3 | ||||
| 813 | I | 29.6 | Very low | 30.7 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | trans | 83.1 | 132.5 | -174.8 | -54.1 | 163.9 | 0 | 0 | 0 | 113.2 | ||||
| 814 | S | 33.2 | Very low | 30.4 | Very low | 85 Ų | 85 | 137.2 Ų | 137.2 | 59% | 0.594 | 73% | 0.726 | S | S | * | * | cis | -141.9 | 132.9 | -4.6 | -134.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 815 | Q | 29.8 | Very low | 30 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | 27.7 | 122.3 | 119.6 | -50 | 174 | -6.9 | 0 | 0 | 120.1 | |||||
| 816 | H | 33.7 | Very low | 29.5 | Very low | 153 Ų | 153 | 140 Ų | 140 | 71% | 0.708 | 73% | 0.731 | S | S | * | * | -167.6 | 125.4 | 98.9 | -120.2 | -114.4 | 0 | 0 | 0 | 113.6 | |||||
| 817 | N | 31.8 | Very low | 29.4 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 67% | 0.668 | 74% | 0.736 | S | S | * | * | trans | 46.5 | 136.1 | 137.1 | -62.5 | 16 | 0 | 0 | 0 | 121.7 | ||||
| 818 | C | 29.5 | Very low | 29.1 | Very low | 100 Ų | 100 | 141.8 Ų | 141.8 | 68% | 0.676 | 73% | 0.73 | S | S | * | * | cis | -150.4 | 147.7 | -7.5 | -88.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 819 | Y | 27.5 | Very low | 29 | Very low | 206 Ų | 206 | 140.6 Ų | 140.6 | 81% | 0.808 | 73% | 0.734 | S | S | * | * | 58.9 | 129.9 | 62.7 | -76.1 | -104.6 | 0 | 0 | 0 | 112.5 | |||||
| 820 | D | 30.3 | Very low | 28.9 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 61% | 0.61 | 73% | 0.728 | S | S | * | * | cis | -159.6 | 168.4 | 13.4 | -151.2 | 9.5 | 0 | 0 | 0 | 116.1 | ||||
| 821 | N | 29 | Very low | 28.8 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 60% | 0.604 | 74% | 0.736 | S | S | * | * | trans | 22.5 | 143.6 | 147.5 | -74.1 | -40.3 | 0 | 0 | 0 | 121 | ||||
| 822 | H | 29.3 | Very low | 28.6 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 60% | 0.597 | 73% | 0.734 | S | S | * | * | cis | -169.9 | 173.5 | 18.4 | -129.7 | 34.3 | 0 | 0 | 0 | 107.8 | ||||
| 823 | R | 26.9 | Very low | 28.6 | Very low | 203 Ų | 203 | 144.7 Ų | 144.7 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | cis | -157.6 | 168.9 | -2.3 | -151.6 | 178.6 | -154.9 | 156.1 | 15.6 | 110.4 | ||||
| 824 | S | 24.6 | Very low | 28.5 | Very low | 107 Ų | 107 | 148 Ų | 148 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | trans | -11.9 | 119.7 | 168.1 | -51.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 825 | I | 25.8 | Very low | 28.7 | Very low | 165 Ų | 165 | 151.1 Ų | 151.1 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | -161.2 | 162.5 | 138.7 | -104.3 | 156.2 | 0 | 0 | 0 | 109.6 | V827 | I825-V827 PolarHBondContact O-N 2.82Š| ||
| 826 | E | 24 | Very low | 29.5 | Very low | 156 Ų | 156 | 147.9 Ų | 147.9 | 73% | 0.729 | 74% | 0.736 | S | S | * | * | trans | -49 | 117 | -173.3 | -60.4 | -178.8 | -179.6 | 0 | 0 | 116.5 | K828 | E826-K828 IonicContact OE2-NZ 3.93Å; E826-K828 PolarHBondContact OE2-NZ 2.79Å | ||
| 827 | V | 29.3 | Very low | 30.2 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 82% | 0.824 | 72% | 0.72 | S | S | * | * | trans | -102.5 | 128.3 | 167.2 | -179.1 | 0 | 0 | 0 | 0 | 111 | I825 | I825-V827 PolarHBondContact O-N 2.82Š| ||
| 828 | K | 25.7 | Very low | 31.3 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 65% | 0.648 | 72% | 0.716 | S | S | * | * | trans | -105.1 | 85.6 | -178.3 | -65.7 | 172.1 | -179.9 | 66.5 | 0 | 110.7 | E826 S830 | E826-K828 IonicContact OE2-NZ 3.93Å; E826-K828 PolarHBondContact OE2-NZ 2.79Å; K828-S830 PolarHBondContact O-N 3.33Å | ||
| 829 | S | 29.2 | Very low | 32.4 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 84% | 0.839 | 71% | 0.71 | S | S | * | * | trans | -67 | 118.3 | 174.2 | 40.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 830 | S | 26.2 | Very low | 34.1 | Very low | 95 Ų | 95 | 133.7 Ų | 133.7 | 66% | 0.664 | 68% | 0.68 | S | S | * | * | trans | -97.8 | 164.5 | -176.8 | -64.8 | 0 | 0 | 0 | 0 | 112.4 | K828 Q832 | K828-S830 PolarHBondContact O-N 3.33Å; S830-Q832 PolarHBondContact O-N 3.42Å | ||
| 831 | D | 27.1 | Very low | 35.4 | Very low | 165 Ų | 165 | 129.1 Ų | 129.1 | 88% | 0.882 | 66% | 0.656 | S | S | * | * | trans | 63.6 | 37.5 | 157.9 | -66.8 | -28.7 | 0 | 0 | 0 | 120.3 | ||||
| 832 | Q | 29.4 | Very low | 37.1 | Very low | 178 Ų | 178 | 127.5 Ų | 127.5 | 83% | 0.832 | 65% | 0.647 | S | S | * | * | trans | -117.6 | 22.4 | 172 | -143.7 | 167.3 | 10 | 0 | 0 | 117.2 | S830 | S830-Q832 PolarHBondContact O-N 3.42Š| ||
| 833 | Y | 28.3 | Very low | 38.4 | Very low | 225 Ų | 225 | 125.6 Ų | 125.6 | 88% | 0.882 | 64% | 0.638 | S | S | * | * | trans | -130.6 | 73.8 | 169.7 | -72.2 | -76.6 | 0 | 0 | 0 | 112.8 | ||||
| 834 | R | 28.4 | Very low | 40 | Very low | 222 Ų | 222 | 116.3 Ų | 116.3 | 84% | 0.838 | 61% | 0.605 | S | S | * | * | trans | -111.8 | 33.3 | 178.5 | -159.2 | 171.9 | 166.8 | -171.4 | -9.1 | 113.3 | N836 | R834-N836 PolarHBondContact O-ND2 2.96Å; R834-N836 VanDerWaalsContact O-ND2 3.09Å | ||
| 835 | L | 37.1 | Very low | 41.7 | Very low | 152 Ų | 152 | 111.8 Ų | 111.8 | 80% | 0.796 | 57% | 0.573 | S | S | * | * | trans | -70.8 | 139.7 | 170.4 | -72.9 | 172.7 | 0 | 0 | 0 | 110.6 | ||||
| 836 | N | 45.9 | Very low | 43.3 | Very low | 93 Ų | 93 | 108.8 Ų | 108.8 | 50% | 0.497 | 56% | 0.555 | S | S | . | * | trans | -101.6 | 161.2 | -155.4 | -69.5 | -80.8 | 0 | 0 | 0 | 112.1 | R834 L838 D839 | R834-N836 PolarHBondContact O-ND2 2.96Å; R834-N836 VanDerWaalsContact O-ND2 3.09Å; N836-L838 HydrophobicContact CB-CB 3.98Å; N836-L838 PolarHBondContact O-N 3.22Å; N836-D839 PolarHBondContact O-N 3.01Å | ||
| 837 | G | 49.3 | Very low | 44.7 | Very low | 36 Ų | 36 | 106.4 Ų | 106.4 | 37% | 0.371 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 8.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 838 | L | 54.9 | Low | 45.8 | Very low | 110 Ų | 110 | 101.6 Ų | 101.6 | 58% | 0.576 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -31.1 | 164.3 | -160.8 | 79.9 | 0 | 0 | 0 | 111.6 | N836 L841 L842 | N836-L838 HydrophobicContact CB-CB 3.98Å; N836-L838 PolarHBondContact O-N 3.22Å; L838-L841 CarbonylContact O-C 3.49Å; L838-L841 WeakPolarHBondContact O-CA 3.23Å; L838-L841 WeakPolarHBondContact O-CB 3.29Å; L838-L841 PolarHBondContact O-N 3.22Å; L838-L841 VanDerWaalsContact O-N 3.17Å; L838-L842 WeakPolarHBondContact O-CB 3.36Å; L838-L842 PolarHBondContact O-N 3.08Å |
| 839 | D | 53.1 | Low | 47 | Very low | 103 Ų | 103 | 98.1 Ų | 98.1 | 55% | 0.551 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -77.2 | -44.8 | -174.3 | -150.8 | 38 | 0 | 0 | 0 | 111.1 | N836 L841 L842 H843 | N836-D839 PolarHBondContact O-N 3.01Å; D839-L841 PolarHBondContact O-N 3.01Å; D839-L841 VanDerWaalsContact O-N 3.14Å; D839-L842 WeakPolarHBondContact O-CB 3.4Å; D839-L842 PolarHBondContact O-N 3.12Å; D839-H843 PolarHBondContact O-N 3.39Å |
| 840 | L | 62.9 | Low | 48.2 | Very low | 36 Ų | 36 | 99.3 Ų | 99.3 | 19% | 0.188 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -55.9 | -26.4 | 164.2 | -171.7 | 68.6 | 0 | 0 | 0 | 112.9 | L706 A709 A844 | L706-L840 HydrophobicContact CD2-CD1 3.73Å; L706-L840 HydrophobicContact CD2-CG 3.84Å; A709-L840 HydrophobicContact CB-CD1 3.42Å; A709-L840 VanDerWaalsContact CB-CD1 3.42Å; L840-A844 VanDerWaalsContact O-CB 3.3Å; L840-A844 WeakPolarHBondContact O-CB 3.43Å |
| 841 | L | 57.4 | Low | 49.2 | Very low | 18 Ų | 18 | 97.1 Ų | 97.1 | 9% | 0.094 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -82.7 | -37.1 | 175 | -163.5 | 85.7 | 0 | 0 | 0 | 111.4 | L636 L640 L838 D839 A844 V845 | L636-L841 HydrophobicContact CB-CD1 4.19Å; L636-L841 HydrophobicContact CD2-CD1 3.69Å; L636-L841 HydrophobicContact CG-CD1 3.65Å; L640-L841 HydrophobicContact CD1-CD1 3.69Å; L838-L841 CarbonylContact O-C 3.49Å; L838-L841 WeakPolarHBondContact O-CA 3.23Å; L838-L841 WeakPolarHBondContact O-CB 3.29Å; L838-L841 PolarHBondContact O-N 3.22Å; L838-L841 VanDerWaalsContact O-N 3.17Å; D839-L841 PolarHBondContact O-N 3.01Å; D839-L841 VanDerWaalsContact O-N 3.14Å; L841-A844 PolarHBondContact O-N 2.88Å; L841-V845 HydrophobicContact CG-CG2 4.46Å; L841-V845 WeakPolarHBondContact O-CB 3.39Å; L841-V845 VanDerWaalsContact O-CG2 3.24Å; L841-V845 WeakPolarHBondContact O-CG2 3.21Å; L841-V845 PolarHBondContact O-N 3.29Å |
| 842 | L | 63.5 | Low | 50.1 | Low | 80 Ų | 80 | 92.1 Ų | 92.1 | 42% | 0.419 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.4 | -52.5 | -179.9 | -176.8 | 57.7 | 0 | 0 | 0 | 110.3 | L838 D839 A844 V845 Q846 | L838-L842 WeakPolarHBondContact O-CB 3.36Å; L838-L842 PolarHBondContact O-N 3.08Å; D839-L842 WeakPolarHBondContact O-CB 3.4Å; D839-L842 PolarHBondContact O-N 3.12Å; L842-A844 VanDerWaalsContact C-N 3.31Å; L842-A844 PolarHBondContact O-N 2.82Å; L842-V845 PolarHBondContact O-N 3.45Å; L842-V845 VanDerWaalsContact O-N 3.14Å; L842-Q846 HydrophobicContact CD1-CG 4.2Å; L842-Q846 WeakPolarHBondContact O-CB 3.37Å; L842-Q846 VanDerWaalsContact O-CG 3.32Å; L842-Q846 WeakPolarHBondContact O-CG 3.18Å; L842-Q846 PolarHBondContact O-N 3.08Å; L842-Q846 PolarHBondContact O-OE1 2.9Å |
| 843 | H | 57.5 | Low | 50.7 | Low | 88 Ų | 88 | 89.8 Ų | 89.8 | 41% | 0.407 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -56.8 | -44.1 | 174.9 | -169.5 | -77.5 | 0 | 0 | 0 | 111.9 | E705 D839 V845 Q846 Y847 | E705-H843 IonicContact OE2-CE1 3.39Å; E705-H843 PolarHBondContact OE2-CE1 2.84Å; E705-H843 IonicContact OE2-ND1 3.71Å; D839-H843 PolarHBondContact O-N 3.39Å; H843-V845 VanDerWaalsContact C-N 3.33Å; H843-V845 PolarHBondContact O-N 2.88Å; H843-Q846 PolarHBondContact O-N 2.84Å; H843-Y847 AromaticContact CE1-CD2 3.46Å; H843-Y847 VanDerWaalsContact CE1-CD2 3.46Å; H843-Y847 WeakPolarHBondContact CE1-CD2 3.45Å; H843-Y847 AromaticContact CE1-CE2 3.41Å; H843-Y847 VanDerWaalsContact CE1-CE2 3.41Å; H843-Y847 WeakPolarHBondContact CE1-CE2 3.48Å; H843-Y847 AromaticContact ND1-CD2 3.77Å; H843-Y847 AromaticContact NE2-CE2 3.88Å; H843-Y847 PolarHBondContact O-N 3.23Å |
| 844 | A | 60.7 | Low | 51.4 | Low | 9 Ų | 9 | 85.9 Ų | 85.9 | 7% | 0.074 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -70.4 | -25.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L702 L706 L840 L841 L842 L848 | L702-A844 HydrophobicContact CD1-CB 4.36Å; L706-A844 HydrophobicContact CD2-CB 4Å; L840-A844 VanDerWaalsContact O-CB 3.3Å; L840-A844 WeakPolarHBondContact O-CB 3.43Å; L841-A844 PolarHBondContact O-N 2.88Å; L842-A844 VanDerWaalsContact C-N 3.31Å; L842-A844 PolarHBondContact O-N 2.82Å; A844-L848 WeakPolarHBondContact O-CD1 3.33Å; A844-L848 VanDerWaalsContact O-CG 3.27Å; A844-L848 WeakPolarHBondContact O-CG 3.44Å |
| 845 | V | 60.1 | Low | 51.8 | Low | 12 Ų | 12 | 82.6 Ų | 82.6 | 7% | 0.073 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -83.1 | -42.5 | 173.6 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | K633 L841 L842 H843 Y847 L848 D849 | K633-V845 HydrophobicContact CD-CG1 3.99Å; K633-V845 HydrophobicContact CG-CG1 4.44Å; K633-V845 HydrophobicContact CG-CG2 4.39Å; L841-V845 HydrophobicContact CG-CG2 4.46Å; L841-V845 WeakPolarHBondContact O-CB 3.39Å; L841-V845 VanDerWaalsContact O-CG2 3.24Å; L841-V845 WeakPolarHBondContact O-CG2 3.21Å; L841-V845 PolarHBondContact O-N 3.29Å; L842-V845 PolarHBondContact O-N 3.45Å; L842-V845 VanDerWaalsContact O-N 3.14Å; H843-V845 VanDerWaalsContact C-N 3.33Å; H843-V845 PolarHBondContact O-N 2.88Å; V845-Y847 VanDerWaalsContact C-N 3.28Å; V845-Y847 PolarHBondContact O-N 2.84Å; V845-L848 PolarHBondContact O-N 2.99Å; V845-L848 VanDerWaalsContact O-N 3.12Å; V845-D849 VanDerWaalsContact CG1-OD2 3.24Å; V845-D849 WeakPolarHBondContact CG1-OD2 3.39Å; V845-D849 WeakPolarHBondContact O-CB 3.43Å; V845-D849 PolarHBondContact O-N 3.13Å |
| 846 | Q | 59.1 | Low | 51.7 | Low | 102 Ų | 102 | 80.4 Ų | 80.4 | 48% | 0.477 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.3 | -38.7 | 176 | -74.6 | 167.6 | -31.4 | 0 | 0 | 112.2 | L842 H843 K850 | L842-Q846 HydrophobicContact CD1-CG 4.2Å; L842-Q846 WeakPolarHBondContact O-CB 3.37Å; L842-Q846 VanDerWaalsContact O-CG 3.32Å; L842-Q846 WeakPolarHBondContact O-CG 3.18Å; L842-Q846 PolarHBondContact O-N 3.08Å; L842-Q846 PolarHBondContact O-OE1 2.9Å; H843-Q846 PolarHBondContact O-N 2.84Å; Q846-K850 WeakPolarHBondContact O-CB 3.27Å; Q846-K850 WeakPolarHBondContact O-CG 3.48Å; Q846-K850 PolarHBondContact O-N 3.45Å; Q846-K850 VanDerWaalsContact O-N 3.14Å |
| 847 | Y | 52.8 | Low | 51.1 | Low | 105 Ų | 105 | 83.5 Ų | 83.5 | 41% | 0.412 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.8 | -42.5 | 172.9 | -105.5 | -84 | 0 | 0 | 0 | 113.3 | H843 V845 K850 E851 | H843-Y847 AromaticContact CE1-CD2 3.46Å; H843-Y847 VanDerWaalsContact CE1-CD2 3.46Å; H843-Y847 WeakPolarHBondContact CE1-CD2 3.45Å; H843-Y847 AromaticContact CE1-CE2 3.41Å; H843-Y847 VanDerWaalsContact CE1-CE2 3.41Å; H843-Y847 WeakPolarHBondContact CE1-CE2 3.48Å; H843-Y847 AromaticContact ND1-CD2 3.77Å; H843-Y847 AromaticContact NE2-CE2 3.88Å; H843-Y847 PolarHBondContact O-N 3.23Å; V845-Y847 VanDerWaalsContact C-N 3.28Å; V845-Y847 PolarHBondContact O-N 2.84Å; Y847-K850 PolarHBondContact O-N 3.21Å; Y847-E851 PolarHBondContact O-N 3.32Å; Y847-E851 VanDerWaalsContact O-N 3.11Å |
| 848 | L | 53.9 | Low | 50.4 | Low | 36 Ų | 36 | 88.9 Ų | 88.9 | 19% | 0.188 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -68.3 | -38.4 | 179.4 | -74.1 | 171.7 | 0 | 0 | 0 | 112.2 | L702 A844 V845 K850 E851 N852 | L702-L848 HydrophobicContact CD2-CD2 4.38Å; L702-L848 HydrophobicContact CD2-CG 4.38Å; A844-L848 WeakPolarHBondContact O-CD1 3.33Å; A844-L848 VanDerWaalsContact O-CG 3.27Å; A844-L848 WeakPolarHBondContact O-CG 3.44Å; V845-L848 PolarHBondContact O-N 2.99Å; V845-L848 VanDerWaalsContact O-N 3.12Å; L848-K850 VanDerWaalsContact C-N 3.34Å; L848-E851 PolarHBondContact O-N 3.13Å; L848-N852 PolarHBondContact O-N 3.23Å; L848-N852 PolarHBondContact O-ND2 2.89Å; L848-N852 PolarHBondContact O-OD1 3.33Å |
| 849 | D | 49.8 | Very low | 49.5 | Very low | 76 Ų | 76 | 91.7 Ų | 91.7 | 41% | 0.406 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -70.4 | -30.4 | 177 | -68.4 | -21.2 | 0 | 0 | 0 | 111.4 | V845 | V845-D849 VanDerWaalsContact CG1-OD2 3.24Å; V845-D849 WeakPolarHBondContact CG1-OD2 3.39Å; V845-D849 WeakPolarHBondContact O-CB 3.43Å; V845-D849 PolarHBondContact O-N 3.13Å |
| 850 | K | 54.4 | Low | 48.8 | Very low | 145 Ų | 145 | 93.4 Ų | 93.4 | 63% | 0.63 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -67.8 | -40 | 170.3 | -78.7 | -178.4 | 176.3 | -172 | 0 | 113.3 | Q846 Y847 L848 | Q846-K850 WeakPolarHBondContact O-CB 3.27Å; Q846-K850 WeakPolarHBondContact O-CG 3.48Å; Q846-K850 PolarHBondContact O-N 3.45Å; Q846-K850 VanDerWaalsContact O-N 3.14Å; Y847-K850 PolarHBondContact O-N 3.21Å; L848-K850 VanDerWaalsContact C-N 3.34Å |
| 851 | E | 48.5 | Very low | 47.6 | Very low | 49 Ų | 49 | 99.7 Ų | 99.7 | 23% | 0.229 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -70.8 | -31.5 | 174.8 | -80.2 | -172.9 | -172.6 | 0 | 0 | 113.5 | R663 P698 Y847 L848 N853 L854 F855 | R663-E851 IonicContact CZ-OE2 2.8Å; R663-E851 IonicContact NH1-OE2 2.68Å; R663-E851 PolarHBondContact NH1-OE2 2.84Å; R663-E851 IonicContact NH2-OE2 3.72Å; P698-E851 WeakPolarHBondContact CB-OE1 2.87Å; Y847-E851 PolarHBondContact O-N 3.32Å; Y847-E851 VanDerWaalsContact O-N 3.11Å; L848-E851 PolarHBondContact O-N 3.13Å; E851-N853 PolarHBondContact O-N 2.94Å; E851-N853 VanDerWaalsContact O-N 3.1Å; E851-L854 PolarHBondContact O-N 3.16Å; E851-L854 VanDerWaalsContact O-N 3.17Å; E851-F855 PolarHBondContact O-N 2.9Å |
| 852 | N | 45.6 | Very low | 46.6 | Very low | 59 Ų | 59 | 103.4 Ų | 103.4 | 32% | 0.316 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -6 | -179.7 | -68 | -30.6 | 0 | 0 | 0 | 113.7 | R663 L848 N856 | R663-N852 PolarHBondContact NH2-OD1 2.8Å; L848-N852 PolarHBondContact O-N 3.23Å; L848-N852 PolarHBondContact O-ND2 2.89Å; L848-N852 PolarHBondContact O-OD1 3.33Å; N852-N856 PolarHBondContact O-ND2 3.34Å |
| 853 | N | 42 | Very low | 45.4 | Very low | 130 Ų | 130 | 103.8 Ų | 103.8 | 70% | 0.695 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | -1.7 | 175.7 | -69.7 | -7.2 | 0 | 0 | 0 | 113.6 | E851 | E851-N853 PolarHBondContact O-N 2.94Å; E851-N853 VanDerWaalsContact O-N 3.1Å |
| 854 | L | 42.4 | Very low | 44.4 | Very low | 143 Ų | 143 | 104.3 Ų | 104.3 | 75% | 0.749 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | -4 | 175.3 | -103.2 | 73.8 | 0 | 0 | 0 | 113.6 | E851 | E851-L854 PolarHBondContact O-N 3.16Å; E851-L854 VanDerWaalsContact O-N 3.17Å |
| 855 | F | 36.5 | Very low | 43.2 | Very low | 152 Ų | 152 | 110.6 Ų | 110.6 | 67% | 0.667 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -138.5 | 69.1 | 177.8 | -74.5 | -83.7 | 0 | 0 | 0 | 110.6 | E851 | E851-F855 PolarHBondContact O-N 2.9Š|
| 856 | N | 35.6 | Very low | 41.8 | Very low | 107 Ų | 107 | 118.9 Ų | 118.9 | 57% | 0.572 | 61% | 0.607 | S | S | * | * | trans | -118 | 141.4 | 160.6 | -61.7 | -56.9 | 0 | 0 | 0 | 108.2 | N852 D858 | N852-N856 PolarHBondContact O-ND2 3.34Å; N856-D858 PolarHBondContact O-N 3.24Å | ||
| 857 | D | 34.3 | Very low | 40.5 | Very low | 157 Ų | 157 | 119.5 Ų | 119.5 | 84% | 0.84 | 61% | 0.613 | S | S | * | * | S | Bend | trans | 52.8 | 46.2 | 159.9 | -50.5 | -35.5 | 0 | 0 | 0 | 117.4 | ||
| 858 | D | 34.1 | Very low | 39.6 | Very low | 149 Ų | 149 | 123.2 Ų | 123.2 | 80% | 0.797 | 63% | 0.634 | S | S | * | * | S | Bend | -167.6 | 168 | 126.3 | -106.1 | -32.4 | 0 | 0 | 0 | 113.2 | N856 | N856-D858 PolarHBondContact O-N 3.24Š| |
| 859 | L | 35.8 | Very low | 38.7 | Very low | 170 Ų | 170 | 127.7 Ų | 127.7 | 89% | 0.89 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 64.5 | 35.1 | 167.4 | -63.7 | 170.4 | 0 | 0 | 0 | 119.4 | ||
| 860 | I | 38 | Very low | 37.9 | Very low | 139 Ų | 139 | 130.8 Ų | 130.8 | 71% | 0.713 | 67% | 0.674 | S | S | * | * | trans | -130.6 | 79.3 | 153.6 | -48.6 | -179.9 | 0 | 0 | 0 | 111 | ||||
| 861 | Q | 37.5 | Very low | 37 | Very low | 168 Ų | 168 | 132 Ų | 132 | 79% | 0.785 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 143.9 | 162.5 | -73 | -172.4 | -9.6 | 0 | 0 | 110.2 | ||
| 862 | P | 37 | Very low | 36.3 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 62% | 0.623 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 147.9 | 159.7 | 29.8 | -33.9 | 0 | 0 | 0 | 108.8 | ||
| 863 | P | 37.2 | Very low | 35.8 | Very low | 87 Ų | 87 | 138.2 Ų | 138.2 | 57% | 0.565 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 131.3 | 173.3 | 24.7 | -33.6 | 0 | 0 | 0 | 108.7 | L865 | P863-L865 PolarHBondContact O-N 3.26Š|
| 864 | P | 37.7 | Very low | 35.4 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 64% | 0.643 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 131.1 | -170.4 | 21 | -32.6 | 0 | 0 | 0 | 110 | F866 | P864-F866 PolarHBondContact O-N 2.92Å; P864-F866 VanDerWaalsContact O-N 3.07Å |
| 865 | L | 34.8 | Very low | 35.3 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | trans | -68.7 | 108.5 | 170.4 | -63.5 | -178.4 | 0 | 0 | 0 | 106.9 | P863 I867 | P863-L865 PolarHBondContact O-N 3.26Å; L865-I867 PolarHBondContact O-N 2.85Å | ||
| 866 | F | 30.2 | Very low | 35 | Very low | 186 Ų | 186 | 136.4 Ų | 136.4 | 82% | 0.816 | 73% | 0.727 | S | S | * | * | trans | -62.8 | 89.4 | 158.8 | -86.4 | -93.5 | 0 | 0 | 0 | 107.8 | P864 | P864-F866 PolarHBondContact O-N 2.92Å; P864-F866 VanDerWaalsContact O-N 3.07Å | ||
| 867 | I | 31.8 | Very low | 34.9 | Very low | 116 Ų | 116 | 138.9 Ų | 138.9 | 60% | 0.595 | 75% | 0.746 | S | S | * | * | trans | -75.3 | 109.6 | 147.4 | -58 | 178.1 | 0 | 0 | 0 | 103.5 | L865 D869 | L865-I867 PolarHBondContact O-N 2.85Å; I867-D869 WeakPolarHBondContact CG2-OD1 3.4Å; I867-D869 PolarHBondContact O-N 2.65Å | ||
| 868 | E | 35.4 | Very low | 34.7 | Very low | 183 Ų | 183 | 138.9 Ų | 138.9 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | trans | -71.4 | 107 | 157.9 | -72.9 | 177.8 | 146.5 | 0 | 0 | 105 | ||||
| 869 | D | 33.6 | Very low | 34.5 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | trans | -70.4 | 176.1 | -174.3 | -91.2 | -50.5 | 0 | 0 | 0 | 112.4 | I867 | I867-D869 WeakPolarHBondContact CG2-OD1 3.4Å; I867-D869 PolarHBondContact O-N 2.65Å | ||
| 870 | L | 33.4 | Very low | 34.2 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | trans | -57.1 | 147.4 | -171.6 | -59.2 | 78 | 0 | 0 | 0 | 112.2 | ||||
| 871 | D | 34.8 | Very low | 34 | Very low | 171 Ų | 171 | 134.2 Ų | 134.2 | 91% | 0.914 | 73% | 0.725 | S | S | * | * | trans | -123.7 | 141.8 | 135.5 | -140.6 | -25.4 | 0 | 0 | 0 | 109.6 | ||||
| 872 | T | 34.5 | Very low | 33.7 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 63% | 0.632 | 73% | 0.728 | S | S | * | * | trans | -122.4 | 108.9 | -164.2 | -59.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 873 | D | 36.2 | Very low | 33.4 | Very low | 136 Ų | 136 | 137.6 Ų | 137.6 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | trans | -124.5 | 104.2 | 172.3 | -147.4 | -20.9 | 0 | 0 | 0 | 111.7 | K875 | D873-K875 IonicContact OD1-NZ 3.76Å; D873-K875 PolarHBondContact OD1-NZ 2.9Å | ||
| 874 | A | 33.7 | Very low | 33.1 | Very low | 81 Ų | 81 | 138.6 Ų | 138.6 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | trans | -98 | 126.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 875 | K | 38.6 | Very low | 32.8 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 74% | 0.739 | 75% | 0.745 | S | S | * | * | trans | -145 | 106 | 154.7 | -86.5 | 105 | -161.4 | 168.5 | 0 | 112.3 | D873 | D873-K875 IonicContact OD1-NZ 3.76Å; D873-K875 PolarHBondContact OD1-NZ 2.9Å | ||
| 876 | N | 31.6 | Very low | 32.5 | Very low | 135 Ų | 135 | 139.2 Ų | 139.2 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | trans | 36 | 106.7 | 144.2 | -58.9 | -11.5 | 0 | 0 | 0 | 119.5 | ||||
| 877 | V | 32.2 | Very low | 32.6 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 97% | 0.97 | 74% | 0.74 | S | S | * | * | -110 | 137.6 | 121.2 | 177.2 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 878 | Q | 31 | Very low | 32.3 | Very low | 157 Ų | 157 | 135.3 Ų | 135.3 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | -110.9 | 132.6 | -152.3 | -162.9 | 175 | 3.5 | 0 | 0 | 112.4 | ||||
| 879 | V | 29.7 | Very low | 32.1 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 67% | 0.673 | 74% | 0.742 | S | S | * | * | trans | 44.5 | 122.4 | 147.3 | 174.3 | 0 | 0 | 0 | 0 | 118.6 | V881 | V879-V881 HydrophobicContact CG1-CG2 4.16Š| ||
| 880 | N | 30 | Very low | 32 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | -135.8 | 132.1 | 118.1 | -154.7 | -2.4 | 0 | 0 | 0 | 110 | |||||
| 881 | V | 32.2 | Very low | 32 | Very low | 93 Ų | 93 | 130.4 Ų | 130.4 | 56% | 0.564 | 75% | 0.747 | S | S | * | * | trans | -143.9 | 115.4 | -168 | -176.6 | 0 | 0 | 0 | 0 | 111.3 | V879 K883 | V879-V881 HydrophobicContact CG1-CG2 4.16Å; V881-K883 HydrophobicContact CG1-CB 4.16Å | ||
| 882 | N | 32.7 | Very low | 31.6 | Very low | 159 Ų | 159 | 131 Ų | 131 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | trans | -112.2 | 103.7 | 157.3 | -56.7 | -20.9 | 0 | 0 | 0 | 104.6 | ||||
| 883 | K | 30.2 | Very low | 31.4 | Very low | 176 Ų | 176 | 134.6 Ų | 134.6 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | cis | 68.3 | 72.2 | 33.8 | -150.2 | 175.9 | -173.3 | -179.5 | 0 | 114.6 | V881 | V881-K883 HydrophobicContact CG1-CB 4.16Š| ||
| 884 | S | 31.8 | Very low | 31 | Very low | 107 Ų | 107 | 133 Ų | 133 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | -174.1 | 149.2 | 142.6 | 23.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 885 | N | 29.6 | Very low | 30.8 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 67% | 0.674 | 75% | 0.747 | S | S | * | * | cis | -167.2 | 155.7 | -19.8 | -111.5 | -3 | 0 | 0 | 0 | 107.6 | ||||
| 886 | T | 30.1 | Very low | 30.4 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | trans | 56.8 | 152.1 | 149 | 52.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 887 | S | 32.1 | Very low | 30.4 | Very low | 95 Ų | 95 | 132.2 Ų | 132.2 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | cis | -167 | 150.8 | -14.3 | 44.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 888 | C | 25.4 | Very low | 30.5 | Very low | 125 Ų | 125 | 129.5 Ų | 129.5 | 85% | 0.845 | 73% | 0.732 | S | S | * | * | trans | 30 | 142.4 | 136.7 | -47.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 889 | G | 31.2 | Very low | 30.3 | Very low | 63 Ų | 63 | 128.5 Ų | 128.5 | 65% | 0.649 | 73% | 0.731 | S | S | * | * | trans | 118 | 144.9 | 133.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 890 | D | 31.6 | Very low | 30.4 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | cis | -159.2 | -167.9 | -9.8 | -93.3 | -48.6 | 0 | 0 | 0 | 108.7 | ||||
| 891 | N | 33.8 | Very low | 30.4 | Very low | 156 Ų | 156 | 130.8 Ų | 130.8 | 83% | 0.834 | 73% | 0.729 | S | S | * | * | trans | 75.7 | 88.9 | -178.2 | -43 | -23 | 0 | 0 | 0 | 112.6 | ||||
| 892 | F | 25.6 | Very low | 30.4 | Very low | 184 Ų | 184 | 132.7 Ų | 132.7 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | cis | 78.4 | 145.1 | 24 | -127.5 | -77.3 | 0 | 0 | 0 | 115.3 | ||||
| 893 | E | 30.4 | Very low | 30.2 | Very low | 177 Ų | 177 | 131 Ų | 131 | 83% | 0.827 | 73% | 0.731 | S | S | * | * | trans | 95.9 | 139.5 | 170.8 | -55.2 | -153 | 116.2 | 0 | 0 | 120 | ||||
| 894 | T | 27.5 | Very low | 30.4 | Very low | 104 Ų | 104 | 131.7 Ų | 131.7 | 64% | 0.638 | 74% | 0.737 | S | S | * | * | cis | -163.8 | 174.2 | -27.5 | -68.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 895 | V | 30.4 | Very low | 30.4 | Very low | 109 Ų | 109 | 134 Ų | 134 | 66% | 0.661 | 74% | 0.736 | S | S | * | * | trans | 102.2 | 97.9 | 150.6 | -169.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 896 | N | 29.9 | Very low | 30.5 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | trans | 63 | 157.4 | 136.3 | -57.6 | 4.2 | 0 | 0 | 0 | 121.7 | ||||
| 897 | N | 30.1 | Very low | 30.5 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 68% | 0.684 | 74% | 0.737 | S | S | * | * | cis | -167.1 | 159.8 | -18.5 | -100.2 | -10 | 0 | 0 | 0 | 110.5 | ||||
| 898 | S | 34.4 | Very low | 30.6 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | 62.3 | 141.6 | 162.7 | 39.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 899 | N | 27.3 | Very low | 31 | Very low | 136 Ų | 136 | 140.4 Ų | 140.4 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | cis | 66.6 | 138.6 | 49.9 | -64.8 | 35.8 | 0 | 0 | 0 | 111.8 | ||||
| 900 | E | 31.6 | Very low | 31.1 | Very low | 156 Ų | 156 | 142.7 Ų | 142.7 | 73% | 0.729 | 73% | 0.734 | S | S | * | * | cis | -159.7 | 173.6 | 18.2 | -140 | 141 | -126.7 | 0 | 0 | 112.7 | ||||
| 901 | E | 30.9 | Very low | 31 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | trans | 68.7 | 147.7 | 155 | -88.4 | -166.9 | 116.7 | 0 | 0 | 124.9 | ||||
| 902 | L | 31.8 | Very low | 31 | Very low | 134 Ų | 134 | 141 Ų | 141 | 70% | 0.702 | 73% | 0.734 | S | S | * | * | trans | 47.1 | 131.4 | 153.5 | -54.8 | 166.8 | 0 | 0 | 0 | 119.7 | ||||
| 903 | T | 28.1 | Very low | 31.3 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | cis | 66.4 | 88.1 | 35.6 | 78.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 904 | E | 34.1 | Very low | 31.5 | Very low | 190 Ų | 190 | 134.9 Ų | 134.9 | 89% | 0.888 | 73% | 0.726 | S | S | * | * | trans | -152.8 | 138.6 | 141.2 | -108.2 | 174 | -178.8 | 0 | 0 | 107.8 | ||||
| 905 | H | 31.7 | Very low | 31.6 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | cis | 104.8 | 127.5 | 19.3 | -137 | -68.2 | 0 | 0 | 0 | 114.3 | ||||
| 906 | N | 33.1 | Very low | 31.7 | Very low | 114 Ų | 114 | 140 Ų | 140 | 61% | 0.61 | 74% | 0.74 | S | S | * | * | trans | 79.8 | 129.7 | 176.2 | -41.4 | -64.9 | 0 | 0 | 0 | 116 | ||||
| 907 | F | 28.6 | Very low | 31.6 | Very low | 197 Ų | 197 | 142.3 Ų | 142.3 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | cis | 72.3 | 138.4 | 48.7 | -98.6 | -87.8 | 0 | 0 | 0 | 115.4 | ||||
| 908 | K | 35.1 | Very low | 31.7 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 73% | 0.726 | 75% | 0.747 | S | S | * | * | trans | 112.6 | 146 | 169 | -67.6 | 158 | -171.6 | 168.7 | 0 | 113.9 | ||||
| 909 | D | 33.4 | Very low | 31.3 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 68% | 0.684 | 75% | 0.75 | S | S | * | * | cis | -154.5 | 160.6 | 2.6 | -127 | -39.8 | 0 | 0 | 0 | 114 | ||||
| 910 | T | 32.9 | Very low | 31.6 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 68% | 0.681 | 75% | 0.75 | S | S | * | * | trans | 41.4 | 114.3 | 140.7 | -60.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 911 | T | 31.2 | Very low | 31.4 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | cis | -161.1 | -166.3 | 47.4 | -6.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 912 | V | 32.1 | Very low | 31.4 | Very low | 132 Ų | 132 | 141 Ų | 141 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | cis | -137.8 | 163 | 11.6 | -155.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 913 | T | 32.2 | Very low | 31.2 | Very low | 115 Ų | 115 | 141 Ų | 141 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | -101.6 | 179 | 179.2 | 49.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 914 | P | 36.1 | Very low | 31.3 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | cis | -129.8 | 166.9 | -1.6 | 38.3 | -21.7 | 0 | 0 | 0 | 116.6 | ||||
| 915 | D | 28.7 | Very low | 31.2 | Very low | 146 Ų | 146 | 138.1 Ų | 138.1 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | trans | -80.3 | 166.3 | 165.9 | -41.3 | -101 | 0 | 0 | 0 | 113.6 | ||||
| 916 | Q | 31.8 | Very low | 31.3 | Very low | 175 Ų | 175 | 138.6 Ų | 138.6 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | 159 | 125.5 | 137.1 | -86.6 | 170 | 13 | 0 | 0 | 108.4 | ||||
| 917 | E | 28.6 | Very low | 31 | Very low | 180 Ų | 180 | 139.3 Ų | 139.3 | 84% | 0.841 | 75% | 0.748 | S | S | * | * | 68.2 | 139.3 | 57.1 | -71.3 | -148.2 | 121.6 | 0 | 0 | 115.8 | |||||
| 918 | S | 32.4 | Very low | 30.9 | Very low | 97 Ų | 97 | 137.1 Ų | 137.1 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | trans | 70.6 | 111.4 | 166.2 | 65.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 919 | I | 25.6 | Very low | 30.6 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 80% | 0.795 | 74% | 0.743 | S | S | * | * | 42.3 | 132.7 | 101 | -57.1 | 160.4 | 0 | 0 | 0 | 116.5 | |||||
| 920 | P | 33.8 | Very low | 30.5 | Very low | 112 Ų | 112 | 135 Ų | 135 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | cis | -143.8 | -160.2 | -19.7 | 43.6 | -23.1 | 0 | 0 | 0 | 113.7 | ||||
| 921 | L | 26.8 | Very low | 30.4 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | trans | 41.7 | 134.4 | 139.5 | -138.2 | 78.3 | 0 | 0 | 0 | 122.7 | ||||
| 922 | D | 30.6 | Very low | 30.4 | Very low | 131 Ų | 131 | 133.7 Ų | 133.7 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | 113.4 | 147.3 | 129.4 | -143.4 | 24 | 0 | 0 | 0 | 120.6 | |||||
| 923 | N | 29.2 | Very low | 30.4 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 72% | 0.717 | 74% | 0.735 | S | S | * | * | trans | -42.1 | 132.3 | -172.7 | -83.8 | -72.2 | 0 | 0 | 0 | 120.5 | ||||
| 924 | S | 29.6 | Very low | 30.5 | Very low | 97 Ų | 97 | 134 Ų | 134 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | 80.2 | 169.1 | 116 | -161 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 925 | M | 32.8 | Very low | 30.5 | Very low | 155 Ų | 155 | 135.1 Ų | 135.1 | 76% | 0.764 | 73% | 0.731 | S | S | * | * | trans | 65.5 | 99.1 | 177.5 | -59 | -164.9 | -74.3 | 0 | 0 | 115 | ||||
| 926 | K | 33 | Very low | 30.5 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 73% | 0.726 | 73% | 0.732 | S | S | * | * | 90.1 | 119.8 | 66.6 | -86.1 | 176.4 | -177.5 | 174.1 | 0 | 112.4 | |||||
| 927 | N | 27.1 | Very low | 30.7 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 69% | 0.69 | 73% | 0.732 | S | S | * | * | trans | 76.6 | 136.3 | 132.2 | -67.6 | 8.1 | 0 | 0 | 0 | 120.4 | ||||
| 928 | L | 27 | Very low | 30.9 | Very low | 151 Ų | 151 | 128.8 Ų | 128.8 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | 71.6 | 147.7 | 149.8 | -62.6 | 157.2 | 0 | 0 | 0 | 116.2 | ||||
| 929 | L | 27.1 | Very low | 30.8 | Very low | 134 Ų | 134 | 128.8 Ų | 128.8 | 70% | 0.702 | 73% | 0.727 | S | S | * | * | cis | -165.2 | -159.8 | -20.1 | -174.8 | 51.1 | 0 | 0 | 0 | 105.4 | ||||
| 930 | V | 32.6 | Very low | 31 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 71% | 0.709 | 72% | 0.723 | S | S | * | * | trans | 83.3 | 88.2 | 159.7 | -169.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 931 | D | 31.2 | Very low | 30.7 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 66% | 0.658 | 72% | 0.719 | S | S | * | * | 92.5 | 145 | 69.1 | -84.7 | -49 | 0 | 0 | 0 | 111.5 | |||||
| 932 | S | 31.2 | Very low | 30.8 | Very low | 82 Ų | 82 | 126.5 Ų | 126.5 | 57% | 0.573 | 72% | 0.716 | S | S | * | * | cis | -168.4 | -166.5 | -14.1 | -122.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 933 | N | 31.9 | Very low | 30.5 | Very low | 149 Ų | 149 | 124.9 Ų | 124.9 | 80% | 0.797 | 72% | 0.715 | S | S | * | * | trans | 85.1 | 140.8 | 160.3 | -54.5 | -38.5 | 0 | 0 | 0 | 116.7 | ||||
| 934 | V | 34.1 | Very low | 30.4 | Very low | 105 Ų | 105 | 126.8 Ų | 126.8 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | cis | -161.4 | 163.1 | 0 | 109.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 935 | N | 34.5 | Very low | 30.2 | Very low | 139 Ų | 139 | 127.1 Ų | 127.1 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | trans | 66.2 | 104.7 | 174.2 | -61.5 | -25.8 | 0 | 0 | 0 | 116.7 | ||||
| 936 | T | 30.6 | Very low | 30 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 80% | 0.798 | 72% | 0.72 | S | S | * | * | cis | 77.1 | 97.7 | 2.3 | 75.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 937 | S | 35.6 | Very low | 29.7 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 81% | 0.811 | 72% | 0.717 | S | S | * | * | trans | -174.2 | 142.8 | 140.3 | 76.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 938 | T | 32.4 | Very low | 29.8 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | cis | -147.1 | 145.5 | 11.1 | -66.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 939 | C | 29.4 | Very low | 30 | Very low | 98 Ų | 98 | 124.5 Ų | 124.5 | 66% | 0.662 | 72% | 0.717 | S | S | * | * | trans | -7.7 | 161 | 150.8 | -62.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 940 | N | 30.5 | Very low | 30.3 | Very low | 134 Ų | 134 | 123.5 Ų | 123.5 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | cis | -166.5 | 148.3 | -8.3 | -106.1 | -2 | 0 | 0 | 0 | 111.1 | ||||
| 941 | S | 27.2 | Very low | 30.1 | Very low | 92 Ų | 92 | 122.2 Ų | 122.2 | 64% | 0.643 | 72% | 0.715 | S | S | * | * | 44.3 | 159.7 | 127.2 | -39.3 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 942 | I | 28.7 | Very low | 29.9 | Very low | 152 Ų | 152 | 123.5 Ų | 123.5 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | trans | 79.8 | 101.5 | 157.5 | -62.8 | 157.4 | 0 | 0 | 0 | 116.3 | ||||
| 943 | S | 25.4 | Very low | 29.8 | Very low | 96 Ų | 96 | 125.4 Ų | 125.4 | 67% | 0.671 | 74% | 0.735 | S | S | * | * | 49.9 | 147.9 | 123.9 | -48.1 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 944 | Q | 27.4 | Very low | 29.7 | Very low | 175 Ų | 175 | 121.1 Ų | 121.1 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | trans | 69.1 | 103.4 | 148.8 | -73.3 | 168.5 | 3.6 | 0 | 0 | 118.8 | ||||
| 945 | S | 25.8 | Very low | 29.4 | Very low | 104 Ų | 104 | 122.6 Ų | 122.6 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | 82.2 | 168 | 118.6 | 81 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 946 | V | 28 | Very low | 28.8 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 72% | 0.721 | 74% | 0.742 | S | S | * | * | trans | 66.3 | 90 | 158.3 | 177 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 947 | T | 26.1 | Very low | 28.7 | Very low | 108 Ų | 108 | 127.7 Ų | 127.7 | 66% | 0.663 | 74% | 0.743 | S | S | * | * | 47.2 | 162 | 121.8 | -0.9 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 948 | E | 28.9 | Very low | 28.3 | Very low | 149 Ų | 149 | 128.6 Ų | 128.6 | 70% | 0.696 | 74% | 0.739 | S | S | * | * | trans | 77.8 | 107.1 | 150.7 | -75.7 | 148.3 | -115.7 | 0 | 0 | 118.9 | ||||
| 949 | H | 30.8 | Very low | 28.2 | Very low | 170 Ų | 170 | 126 Ų | 126 | 79% | 0.787 | 73% | 0.725 | S | S | * | * | 27.8 | 135.9 | 105.3 | -58.8 | -61 | 0 | 0 | 0 | 117.2 | |||||
| 950 | P | 35.1 | Very low | 28.1 | Very low | 114 Ų | 114 | 127.8 Ų | 127.8 | 74% | 0.74 | 73% | 0.728 | S | S | * | * | -142 | 144.5 | 54.4 | 37.5 | -18.1 | 0 | 0 | 0 | 114.6 | |||||
| 951 | S | 27.5 | Very low | 28.2 | Very low | 89 Ų | 89 | 128.4 Ų | 128.4 | 62% | 0.622 | 73% | 0.732 | S | S | * | * | 86.5 | 147.7 | 76.3 | 99.7 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 952 | N | 27 | Very low | 28.3 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | trans | 50.1 | 93 | 142.5 | -55.6 | -8.2 | 0 | 0 | 0 | 120.4 | ||||
| 953 | S | 30.1 | Very low | 28.6 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | -169.7 | 146.7 | 108.9 | 41.8 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 954 | G | 28.2 | Very low | 28.7 | Very low | 58 Ų | 58 | 133.1 Ų | 133.1 | 60% | 0.598 | 73% | 0.727 | S | S | * | * | cis | 108 | 141.7 | 12.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 955 | T | 28.1 | Very low | 28.9 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 83% | 0.834 | 72% | 0.72 | S | S | * | * | trans | 61.7 | 130.3 | -175.8 | 41.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 956 | F | 23.3 | Very low | 29.1 | Very low | 200 Ų | 200 | 133.5 Ų | 133.5 | 88% | 0.877 | 72% | 0.721 | S | S | * | * | 50.5 | 91.8 | 66.2 | -87.4 | -95.2 | 0 | 0 | 0 | 112.9 | |||||
| 957 | E | 28.2 | Very low | 29.1 | Very low | 176 Ų | 176 | 131.9 Ų | 131.9 | 82% | 0.822 | 72% | 0.715 | S | S | * | * | -169.1 | 127.9 | 121 | -97.7 | 173.1 | -178.6 | 0 | 0 | 107.1 | |||||
| 958 | N | 27.2 | Very low | 29.2 | Very low | 135 Ų | 135 | 134 Ų | 134 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | 85.3 | 148.9 | 58.1 | -168.7 | 23 | 0 | 0 | 0 | 112.3 | |||||
| 959 | S | 28.6 | Very low | 29.2 | Very low | 67 Ų | 67 | 130.8 Ų | 130.8 | 47% | 0.469 | 72% | 0.716 | S | S | . | * | trans | 55.6 | 114.3 | 156.2 | 54.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 960 | N | 28.1 | Very low | 29.2 | Very low | 136 Ų | 136 | 129 Ų | 129 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | 50.4 | 112.3 | 119.6 | -45.7 | -35.1 | 0 | 0 | 0 | 117.9 | |||||
| 961 | N | 33.3 | Very low | 28.9 | Very low | 147 Ų | 147 | 127.6 Ų | 127.6 | 79% | 0.786 | 71% | 0.705 | S | S | * | * | -147.2 | 127.3 | 95.2 | -85.6 | -53 | 0 | 0 | 0 | 108.7 | |||||
| 962 | R | 29.3 | Very low | 29 | Very low | 170 Ų | 170 | 128.9 Ų | 128.9 | 64% | 0.642 | 71% | 0.705 | S | S | * | * | cis | 67.3 | 110.1 | 47.8 | -174.4 | -169 | 174.1 | -172.7 | -1.7 | 111.6 | Q964 | R962-Q964 HydrophobicContact CG-CB 4.33Å; R962-Q964 VanDerWaalsContact CZ-OE1 3.29Å | ||
| 963 | L | 33.6 | Very low | 29.1 | Very low | 157 Ų | 157 | 129.4 Ų | 129.4 | 82% | 0.822 | 70% | 0.7 | S | S | * | * | -165.5 | 92.8 | 117.2 | -93.3 | 167.6 | 0 | 0 | 0 | 105.3 | |||||
| 964 | Q | 28.3 | Very low | 28.9 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 52% | 0.523 | 69% | 0.694 | S | S | . | * | 67 | 92 | 75.9 | -172.2 | 177.7 | -7.7 | 0 | 0 | 112.3 | R962 | R962-Q964 HydrophobicContact CG-CB 4.33Å; R962-Q964 VanDerWaalsContact CZ-OE1 3.29Å | |||
| 965 | N | 30.7 | Very low | 28.7 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 67% | 0.674 | 70% | 0.695 | S | S | * | * | trans | -154.6 | 130.5 | 130.9 | -90.4 | -29 | 0 | 0 | 0 | 106.2 | ||||
| 966 | Q | 31.4 | Very low | 28.6 | Very low | 161 Ų | 161 | 132.5 Ų | 132.5 | 75% | 0.752 | 69% | 0.688 | S | S | * | * | 52.2 | 132 | 85 | -61.7 | -172.8 | 81.1 | 0 | 0 | 112 | |||||
| 967 | S | 27.3 | Very low | 28.7 | Very low | 86 Ų | 86 | 128.8 Ų | 128.8 | 60% | 0.601 | 68% | 0.676 | S | S | * | * | cis | -173.9 | -166.9 | -5.5 | -93.9 | 0 | 0 | 0 | 0 | 105 | ||||
| 968 | L | 28 | Very low | 28.8 | Very low | 153 Ų | 153 | 126.3 Ų | 126.3 | 80% | 0.801 | 67% | 0.673 | S | S | * | * | trans | 48.9 | 93.3 | 143.6 | -72.6 | 161 | 0 | 0 | 0 | 116.6 | ||||
| 969 | S | 28 | Very low | 28.9 | Very low | 81 Ų | 81 | 125.2 Ų | 125.2 | 57% | 0.566 | 67% | 0.667 | S | S | * | * | 94.6 | -177 | 80.7 | 64.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 970 | D | 31.6 | Very low | 29.2 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 70% | 0.701 | 68% | 0.683 | S | S | * | * | trans | 50.6 | 84.1 | 154.3 | -55.1 | -43.2 | 0 | 0 | 0 | 117.4 | ||||
| 971 | S | 28.9 | Very low | 29.3 | Very low | 86 Ų | 86 | 126.4 Ų | 126.4 | 60% | 0.601 | 67% | 0.674 | S | S | * | * | 93.9 | 175.7 | 86.4 | 70.8 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 972 | N | 29.4 | Very low | 29.1 | Very low | 116 Ų | 116 | 127 Ų | 127 | 62% | 0.62 | 67% | 0.671 | S | S | * | * | trans | 63.8 | 112.4 | 157.9 | -73.4 | -53.4 | 0 | 0 | 0 | 115.5 | ||||
| 973 | K | 28.8 | Very low | 29 | Very low | 161 Ų | 161 | 123 Ų | 123 | 70% | 0.7 | 67% | 0.669 | S | S | * | * | 68.8 | 150.1 | 78.1 | -79.3 | -165.9 | -167.9 | 169.8 | 0 | 112.4 | |||||
| 974 | F | 25.7 | Very low | 28.6 | Very low | 168 Ų | 168 | 120.5 Ų | 120.5 | 74% | 0.737 | 66% | 0.661 | S | S | * | * | trans | 37.7 | 108.5 | 135.6 | -64.7 | -129.9 | 0 | 0 | 0 | 114.5 | ||||
| 975 | N | 25 | Very low | 28.6 | Very low | 114 Ų | 114 | 125 Ų | 125 | 61% | 0.61 | 68% | 0.679 | S | S | * | * | cis | -164.8 | 173.7 | 36.5 | -104.2 | -16 | 0 | 0 | 0 | 108.4 | I977 | N975-I977 HydrophobicContact CB-CD1 4.42Š| ||
| 976 | S | 25.3 | Very low | 28.4 | Very low | 100 Ų | 100 | 123.6 Ų | 123.6 | 70% | 0.699 | 68% | 0.675 | S | S | * | * | 50.5 | 151.8 | 58.2 | -157.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 977 | I | 25.9 | Very low | 28.2 | Very low | 122 Ų | 122 | 123.2 Ų | 123.2 | 63% | 0.626 | 68% | 0.677 | S | S | * | * | trans | 62.1 | 106.8 | -179.8 | -41 | 151.4 | 0 | 0 | 0 | 111.3 | N975 D979 | N975-I977 HydrophobicContact CB-CD1 4.42Å; I977-D979 WeakPolarHBondContact CG2-OD2 3.35Å | ||
| 978 | T | 30 | Very low | 28.1 | Very low | 123 Ų | 123 | 123 Ų | 123 | 76% | 0.755 | 67% | 0.673 | S | S | * | * | cis | -110.2 | 135.8 | 32.2 | 48.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 979 | D | 29.9 | Very low | 28.1 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 60% | 0.599 | 67% | 0.672 | S | S | * | * | 62 | 135.8 | 69.7 | -46.1 | -37.5 | 0 | 0 | 0 | 111.4 | I977 | I977-D979 WeakPolarHBondContact CG2-OD2 3.35Š| |||
| 980 | L | 34.2 | Very low | 27.9 | Very low | 151 Ų | 151 | 126.6 Ų | 126.6 | 79% | 0.791 | 69% | 0.687 | S | S | * | * | cis | -113.5 | 149.8 | 13.8 | -90.1 | 87.1 | 0 | 0 | 0 | 111.3 | ||||
| 981 | S | 30.2 | Very low | 27.8 | Very low | 77 Ų | 77 | 124.9 Ų | 124.9 | 54% | 0.538 | 69% | 0.691 | S | S | . | * | 51.9 | 132.6 | 86.2 | 118.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 982 | H | 29.2 | Very low | 28 | Very low | 160 Ų | 160 | 127.4 Ų | 127.4 | 74% | 0.741 | 70% | 0.702 | S | S | * | * | cis | -141.5 | 144.6 | 9.3 | -99.7 | -72.8 | 0 | 0 | 0 | 106.6 | ||||
| 983 | S | 26.7 | Very low | 28 | Very low | 85 Ų | 85 | 128.1 Ų | 128.1 | 59% | 0.594 | 70% | 0.702 | S | S | * | * | 57 | 152.9 | 74.9 | 107 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 984 | V | 26.9 | Very low | 28.4 | Very low | 106 Ų | 106 | 125.6 Ų | 125.6 | 64% | 0.642 | 70% | 0.702 | S | S | * | * | trans | 73.2 | 129.1 | -178.2 | 177.2 | 0 | 0 | 0 | 0 | 109.6 | T986 | V984-T986 VanDerWaalsContact CG1-CB 3.45Å; V984-T986 WeakPolarHBondContact CG1-OG1 3.29Å | ||
| 985 | F | 28.1 | Very low | 29.1 | Very low | 206 Ų | 206 | 124 Ų | 124 | 90% | 0.904 | 70% | 0.701 | S | S | * | * | 58.4 | -164.6 | 53.7 | -116.2 | -85.9 | 0 | 0 | 0 | 111.1 | |||||
| 986 | T | 25.2 | Very low | 29.4 | Very low | 97 Ų | 97 | 122.1 Ų | 122.1 | 60% | 0.595 | 69% | 0.693 | S | S | * | * | trans | 52.4 | 72.5 | 179.6 | -53.9 | 0 | 0 | 0 | 0 | 113.3 | V984 | V984-T986 VanDerWaalsContact CG1-CB 3.45Å; V984-T986 WeakPolarHBondContact CG1-OG1 3.29Å | ||
| 987 | L | 27.2 | Very low | 29.8 | Very low | 152 Ų | 152 | 124 Ų | 124 | 80% | 0.796 | 70% | 0.695 | S | S | * | * | 80.3 | -142.1 | 106.6 | -91.8 | 74.3 | 0 | 0 | 0 | 110.1 | |||||
| 988 | P | 26.5 | Very low | 30 | Very low | 81 Ų | 81 | 124.5 Ų | 124.5 | 53% | 0.526 | 70% | 0.698 | S | S | . | * | -121.1 | -164.3 | -90.6 | 37.6 | -25.8 | 0 | 0 | 0 | 112.7 | |||||
| 989 | Q | 27 | Very low | 30 | Very low | 165 Ų | 165 | 125.8 Ų | 125.8 | 77% | 0.771 | 70% | 0.699 | S | S | * | * | trans | 60 | 112.3 | 148.7 | -74.7 | 155 | -8.4 | 0 | 0 | 116.9 | ||||
| 990 | V | 25.3 | Very low | 29.9 | Very low | 146 Ų | 146 | 127.9 Ų | 127.9 | 89% | 0.885 | 71% | 0.705 | S | S | * | * | 56.3 | 77.9 | 63.2 | -170.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 991 | A | 27.8 | Very low | 29.7 | Very low | 94 Ų | 94 | 127.2 Ų | 127.2 | 78% | 0.777 | 71% | 0.707 | S | S | * | * | trans | -171.9 | 131.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 992 | V | 32.7 | Very low | 29.7 | Very low | 139 Ų | 139 | 127.2 Ų | 127.2 | 84% | 0.842 | 71% | 0.712 | S | S | * | * | cis | -137 | 133.2 | -0.5 | 177.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 993 | H | 29.6 | Very low | 29.9 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 61% | 0.611 | 71% | 0.714 | S | S | * | * | trans | -78.6 | 144.3 | 171.8 | -159 | -130.1 | 0 | 0 | 0 | 109.7 | T996 | H993-T996 PolarHBondContact CE1-N 2.57Å; H993-T996 PolarHBondContact CE1-OG1 2.97Å; H993-T996 PolarHBondContact ND1-OG1 3.46Å; H993-T996 PolarHBondContact NE2-N 2.88Å | ||
| 994 | P | 37.5 | Very low | 30.2 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 70% | 0.695 | 72% | 0.724 | S | S | * | * | -153.2 | 157.2 | 89.5 | 39.3 | -21 | 0 | 0 | 0 | 115.2 | |||||
| 995 | N | 40.1 | Very low | 30.6 | Very low | 136 Ų | 136 | 131 Ų | 131 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | cis | -130.9 | 141.7 | 3.2 | -78.6 | -68 | 0 | 0 | 0 | 110.4 | ||||
| 996 | T | 31.1 | Very low | 30.8 | Very low | 73 Ų | 73 | 128.1 Ų | 128.1 | 45% | 0.448 | 72% | 0.721 | S | S | . | * | 64.2 | 123.1 | 74.6 | -15.1 | 0 | 0 | 0 | 0 | 111.4 | H993 | H993-T996 PolarHBondContact CE1-N 2.57Å; H993-T996 PolarHBondContact CE1-OG1 2.97Å; H993-T996 PolarHBondContact ND1-OG1 3.46Å; H993-T996 PolarHBondContact NE2-N 2.88Å | |||
| 997 | L | 34.8 | Very low | 31 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 73% | 0.728 | 73% | 0.728 | S | S | * | * | cis | -145.9 | 148.9 | 36.1 | -70.3 | 143.4 | 0 | 0 | 0 | 113.7 | ||||
| 998 | L | 30.2 | Very low | 31.1 | Very low | 133 Ų | 133 | 128 Ų | 128 | 70% | 0.696 | 72% | 0.724 | S | S | * | * | trans | 44.4 | 145.3 | 131.2 | -50.2 | 175.4 | 0 | 0 | 0 | 119.8 | ||||
| 999 | I | 30.6 | Very low | 31.5 | Very low | 150 Ų | 150 | 128.7 Ų | 128.7 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | cis | -159.1 | -169.2 | 9.7 | -135.5 | 160.6 | 0 | 0 | 0 | 109 | ||||
| 1000 | E | 27.9 | Very low | 31.6 | Very low | 157 Ų | 157 | 127.1 Ų | 127.1 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | -156.9 | -179.1 | -91.9 | -158 | 162.8 | -70.1 | 0 | 0 | 108.1 | |||||
| 1001 | V | 29.4 | Very low | 32 | Very low | 136 Ų | 136 | 125.6 Ų | 125.6 | 82% | 0.824 | 72% | 0.72 | S | S | * | * | trans | 68.8 | 137.9 | 169.4 | 173.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1002 | A | 30.2 | Very low | 32 | Very low | 77 Ų | 77 | 127.3 Ų | 127.3 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | cis | -171.3 | 166 | -16.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1003 | E | 32.5 | Very low | 31.9 | Very low | 170 Ų | 170 | 127.4 Ų | 127.4 | 79% | 0.794 | 71% | 0.711 | S | S | * | * | cis | -157.8 | -166.4 | -3.1 | -133.5 | -179.3 | -90.3 | 0 | 0 | 109.7 | ||||
| 1004 | N | 34.4 | Very low | 32 | Very low | 152 Ų | 152 | 125.2 Ų | 125.2 | 81% | 0.813 | 70% | 0.703 | S | S | * | * | trans | -134.9 | 131.8 | 160.8 | -90.5 | -68 | 0 | 0 | 0 | 110.4 | ||||
| 1005 | P | 35.5 | Very low | 31.7 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 71% | 0.714 | 71% | 0.709 | S | S | * | * | trans | -138.5 | 157.9 | 150 | 35.1 | -20.3 | 0 | 0 | 0 | 114.6 | ||||
| 1006 | L | 31.5 | Very low | 31.4 | Very low | 144 Ų | 144 | 127 Ų | 127 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | cis | -170.3 | 154.4 | -15.9 | -102.4 | 171.7 | 0 | 0 | 0 | 107.9 | ||||
| 1007 | L | 29.7 | Very low | 31.5 | Very low | 141 Ų | 141 | 129.5 Ų | 129.5 | 74% | 0.738 | 72% | 0.718 | S | S | * | * | trans | 54.2 | 134.8 | 149.4 | -60.3 | 164.4 | 0 | 0 | 0 | 120.2 | ||||
| 1008 | C | 29.1 | Very low | 31.2 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 72% | 0.723 | 72% | 0.717 | S | S | * | * | 67.2 | 154.4 | 56.6 | -60.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1009 | P | 35.3 | Very low | 31.1 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 62% | 0.617 | 72% | 0.724 | S | S | * | * | cis | -119.2 | -173.1 | 6.5 | 43 | -28.2 | 0 | 0 | 0 | 112.9 | ||||
| 1010 | L | 28.9 | Very low | 31 | Very low | 132 Ų | 132 | 127.9 Ų | 127.9 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | cis | 92.2 | 106.2 | 13.2 | -125.8 | -175.6 | 0 | 0 | 0 | 117.8 | I1012 | L1010-I1012 HydrophobicContact CD2-CD1 3.66Å; L1010-I1012 HydrophobicContact CD2-CG1 3.71Å | ||
| 1011 | S | 32.5 | Very low | 31 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | trans | -172 | 123.7 | 155.4 | -75.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1012 | I | 29.4 | Very low | 30.9 | Very low | 130 Ų | 130 | 124 Ų | 124 | 67% | 0.667 | 71% | 0.709 | S | S | * | * | cis | 66.2 | 104 | 40.2 | -50.1 | 177.9 | 0 | 0 | 0 | 113.3 | L1010 I1014 | L1010-I1012 HydrophobicContact CD2-CD1 3.66Å; L1010-I1012 HydrophobicContact CD2-CG1 3.71Å; I1012-I1014 HydrophobicContact CG2-CD1 4.21Å; I1012-I1014 HydrophobicContact CG2-CG1 4.08Å | ||
| 1013 | N | 30.8 | Very low | 30.7 | Very low | 141 Ų | 141 | 127.9 Ų | 127.9 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | trans | -144.5 | 150.2 | 134.1 | -153.2 | -16.2 | 0 | 0 | 0 | 110 | ||||
| 1014 | I | 30.9 | Very low | 30.5 | Very low | 85 Ų | 85 | 124.7 Ų | 124.7 | 44% | 0.436 | 72% | 0.715 | S | S | . | * | trans | -119.1 | 148.5 | -161.5 | -56.3 | 162.1 | 0 | 0 | 0 | 108.8 | I1012 | I1012-I1014 HydrophobicContact CG2-CD1 4.21Å; I1012-I1014 HydrophobicContact CG2-CG1 4.08Å | ||
| 1015 | K | 32.1 | Very low | 30.1 | Very low | 190 Ų | 190 | 122.9 Ų | 122.9 | 83% | 0.826 | 71% | 0.714 | S | S | * | * | trans | -149.9 | 115.9 | 149.6 | -123.9 | 164.9 | -170.9 | 172.8 | 0 | 113.8 | ||||
| 1016 | P | 33 | Very low | 29.9 | Very low | 90 Ų | 90 | 122.8 Ų | 122.8 | 58% | 0.584 | 72% | 0.716 | S | S | * | * | trans | -95.7 | 172.7 | 178.4 | 40.2 | -34.7 | 0 | 0 | 0 | 111.4 | ||||
| 1017 | T | 33 | Very low | 29.6 | Very low | 126 Ų | 126 | 120.6 Ų | 120.6 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | trans | 179.7 | 94.5 | 141.8 | -75.4 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1018 | L | 28.1 | Very low | 29.5 | Very low | 138 Ų | 138 | 121.5 Ų | 121.5 | 72% | 0.723 | 72% | 0.717 | S | S | * | * | 79.9 | 137.7 | 75.8 | -78.1 | 173.9 | 0 | 0 | 0 | 113.9 | |||||
| 1019 | L | 27.9 | Very low | 29.3 | Very low | 161 Ų | 161 | 121.1 Ų | 121.1 | 84% | 0.843 | 72% | 0.716 | S | S | * | * | trans | 68.1 | 148.8 | 162.8 | -93.2 | 62.3 | 0 | 0 | 0 | 116.2 | ||||
| 1020 | S | 29.3 | Very low | 29.1 | Very low | 90 Ų | 90 | 121.6 Ų | 121.6 | 63% | 0.629 | 72% | 0.721 | S | S | * | * | cis | -155.2 | 156.3 | 2.3 | 50.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1021 | T | 26.7 | Very low | 28.9 | Very low | 120 Ų | 120 | 122.5 Ų | 122.5 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | trans | 21.6 | 142.7 | 141.3 | 63.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1022 | S | 27.8 | Very low | 28.5 | Very low | 91 Ų | 91 | 122 Ų | 122 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | cis | -162.3 | 161.5 | 45.4 | -36.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1023 | L | 27.2 | Very low | 28.4 | Very low | 159 Ų | 159 | 120.6 Ų | 120.6 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | 45.3 | 139.6 | 87.9 | -38.9 | 171 | 0 | 0 | 0 | 114.1 | |||||
| 1024 | S | 27.2 | Very low | 28.2 | Very low | 103 Ų | 103 | 119.6 Ų | 119.6 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | cis | -162 | 144.9 | 8.7 | 6.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1025 | S | 26.4 | Very low | 28 | Very low | 114 Ų | 114 | 121.6 Ų | 121.6 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | -1.4 | 127.2 | 137.4 | 57.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1026 | S | 30.7 | Very low | 27.7 | Very low | 108 Ų | 108 | 119.2 Ų | 119.2 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | trans | -177.1 | 129.2 | 135.5 | 51.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1027 | S | 25.6 | Very low | 27.6 | Very low | 97 Ų | 97 | 121.4 Ų | 121.4 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | cis | 87.6 | 141 | 31.7 | 79.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1028 | L | 27.7 | Very low | 27.4 | Very low | 160 Ų | 160 | 122 Ų | 122 | 84% | 0.838 | 73% | 0.734 | S | S | * | * | trans | 78.2 | 153 | 172.8 | -50.4 | 163 | 0 | 0 | 0 | 115.3 | ||||
| 1029 | S | 25.3 | Very low | 27.3 | Very low | 99 Ų | 99 | 121.8 Ų | 121.8 | 69% | 0.692 | 73% | 0.734 | S | S | * | * | cis | 149.7 | 110.9 | -39.4 | 61.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 1030 | S | 30.6 | Very low | 27.2 | Very low | 105 Ų | 105 | 118.9 Ų | 118.9 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | trans | -169.7 | 132.2 | 167.6 | 46.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1031 | N | 25.8 | Very low | 27.3 | Very low | 152 Ų | 152 | 119.7 Ų | 119.7 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | 61.6 | 135.8 | 69.5 | -62.7 | 1.8 | 0 | 0 | 0 | 111.5 | |||||
| 1032 | C | 23.5 | Very low | 27.3 | Very low | 104 Ų | 104 | 120.5 Ų | 120.5 | 70% | 0.703 | 73% | 0.731 | S | S | * | * | cis | -154.6 | 136.3 | 5.6 | -109.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1033 | S | 26.4 | Very low | 27.4 | Very low | 100 Ų | 100 | 122.4 Ų | 122.4 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | 87.7 | 142 | 85.1 | -61.5 | 0 | 0 | 0 | 0 | 116 | |||||
| 1034 | S | 26.3 | Very low | 27.6 | Very low | 119 Ų | 119 | 121.6 Ų | 121.6 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | trans | 74.2 | 150.1 | 164.8 | -49.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1035 | T | 27.3 | Very low | 27.7 | Very low | 127 Ų | 127 | 123.2 Ų | 123.2 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | cis | -128.7 | 164.8 | 4.9 | 44.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1036 | E | 26.9 | Very low | 27.9 | Very low | 140 Ų | 140 | 124.9 Ų | 124.9 | 65% | 0.654 | 73% | 0.725 | S | S | * | * | trans | -8.9 | 148 | 149 | -44 | -170.1 | 85.1 | 0 | 0 | 118.3 | K1038 | E1036-K1038 IonicContact OE1-NZ 2.57Å; E1036-K1038 PolarHBondContact OE1-NZ 3.44Å | ||
| 1037 | L | 30.2 | Very low | 27.9 | Very low | 136 Ų | 136 | 127.7 Ų | 127.7 | 71% | 0.712 | 73% | 0.726 | S | S | * | * | -148.2 | 146.5 | 52.5 | -79.5 | 165.1 | 0 | 0 | 0 | 111.2 | |||||
| 1038 | K | 27.8 | Very low | 28 | Very low | 138 Ų | 138 | 130.5 Ų | 130.5 | 60% | 0.6 | 73% | 0.728 | S | S | * | * | 46 | 127.2 | 84.9 | -54.5 | -169.1 | -172 | 97.7 | 0 | 113.1 | E1036 | E1036-K1038 IonicContact OE1-NZ 2.57Å; E1036-K1038 PolarHBondContact OE1-NZ 3.44Å | |||
| 1039 | N | 26.5 | Very low | 28.1 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | cis | -159.6 | 155.6 | 8.4 | -102.3 | -11.7 | 0 | 0 | 0 | 111.9 | ||||
| 1040 | S | 27 | Very low | 28.4 | Very low | 99 Ų | 99 | 131 Ų | 131 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | trans | 44.4 | 147.7 | 138.4 | -51.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1041 | S | 30.7 | Very low | 28.4 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | 87.4 | 143.3 | 153.7 | -59.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1042 | L | 26.8 | Very low | 28.5 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 72% | 0.717 | 73% | 0.728 | S | S | * | * | cis | 176.7 | 143 | -30.9 | -117.5 | 165.5 | 0 | 0 | 0 | 106.9 | ||||
| 1043 | L | 29.2 | Very low | 28.9 | Very low | 132 Ų | 132 | 134 Ų | 134 | 69% | 0.691 | 73% | 0.732 | S | S | * | * | trans | 65.1 | 159.3 | 164.8 | -49.4 | 170.1 | 0 | 0 | 0 | 115.4 | ||||
| 1044 | E | 31.4 | Very low | 28.9 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 66% | 0.659 | 74% | 0.743 | S | S | * | * | cis | -149.5 | 145.6 | -24.3 | -109.6 | 170.4 | 135.2 | 0 | 0 | 106.5 | ||||
| 1045 | I | 29.3 | Very low | 29.2 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 70% | 0.703 | 73% | 0.733 | S | S | * | * | 47.8 | 121.7 | 89.9 | -51.1 | -177.2 | 0 | 0 | 0 | 111.1 | |||||
| 1046 | N | 30.3 | Very low | 29.4 | Very low | 150 Ų | 150 | 141.6 Ų | 141.6 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | cis | -147.9 | -174.1 | 37.3 | -142.3 | -25.2 | 0 | 0 | 0 | 115.6 | ||||
| 1047 | Q | 31.6 | Very low | 29.5 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | trans | -100.9 | 179.6 | -164 | -162.9 | 167.3 | 12.1 | 0 | 0 | 113.9 | ||||
| 1048 | Q | 28.1 | Very low | 29.8 | Very low | 156 Ų | 156 | 143.3 Ų | 143.3 | 73% | 0.729 | 74% | 0.742 | S | S | * | * | trans | 96.2 | 94 | 155 | -150.2 | 71.1 | -0.1 | 0 | 0 | 119.5 | ||||
| 1049 | S | 29.5 | Very low | 30 | Very low | 112 Ų | 112 | 146.5 Ų | 146.5 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | trans | -162.5 | 165 | 134.7 | -160.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1050 | I | 32.2 | Very low | 30.2 | Very low | 158 Ų | 158 | 148.8 Ų | 148.8 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | trans | 69.3 | 84.6 | 174 | -46.5 | -178.8 | 0 | 0 | 0 | 115.5 | ||||
| 1051 | E | 29.7 | Very low | 30.2 | Very low | 154 Ų | 154 | 149.8 Ų | 149.8 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | trans | -69.1 | 145.4 | 161 | -52.3 | 164.7 | 126.7 | 0 | 0 | 111.1 | ||||
| 1052 | N | 28.5 | Very low | 30.2 | Very low | 140 Ų | 140 | 152 Ų | 152 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | 169.2 | 155 | 114.9 | -96.2 | -78.7 | 0 | 0 | 0 | 114 | |||||
| 1053 | T | 32 | Very low | 30.2 | Very low | 131 Ų | 131 | 152.9 Ų | 152.9 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | 65.4 | 72.2 | 166.6 | 55.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1054 | Y | 25.1 | Very low | 30.3 | Very low | 235 Ų | 235 | 151.6 Ų | 151.6 | 92% | 0.922 | 76% | 0.758 | S | S | * | * | trans | -152.1 | 97.8 | 149.8 | -123.3 | -79.8 | 0 | 0 | 0 | 112.1 | ||||
| 1055 | E | 32.3 | Very low | 30.2 | Very low | 133 Ų | 133 | 152.9 Ų | 152.9 | 62% | 0.621 | 77% | 0.768 | S | S | * | * | trans | 175.8 | 131.8 | 149.3 | -109 | -63.7 | -173 | 0 | 0 | 110.3 | L1057 | E1055-L1057 PolarHBondContact OE2-N 2.82Š| ||
| 1056 | T | 32.1 | Very low | 30.2 | Very low | 137 Ų | 137 | 149.2 Ų | 149.2 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | trans | 178.6 | 52.4 | 152.8 | -50.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1057 | L | 30 | Very low | 30.1 | Very low | 153 Ų | 153 | 149.5 Ų | 149.5 | 80% | 0.801 | 77% | 0.765 | S | S | * | * | trans | -149.4 | 70.4 | 170.4 | -89.6 | -171 | 0 | 0 | 0 | 112.8 | E1055 | E1055-L1057 PolarHBondContact OE2-N 2.82Š| ||
| 1058 | K | 35.7 | Very low | 30 | Very low | 158 Ų | 158 | 147.6 Ų | 147.6 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | trans | -155.1 | 134.8 | 172.1 | -108.6 | -173.3 | -179.7 | 176.2 | 0 | 111.8 | ||||
| 1059 | Y | 31.1 | Very low | 30.1 | Very low | 206 Ų | 206 | 146.7 Ų | 146.7 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | trans | 52.5 | 126.9 | 163.4 | -66.2 | -95.9 | 0 | 0 | 0 | 117 | ||||
| 1060 | F | 30.8 | Very low | 30.3 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | cis | 66.1 | 117.5 | 14.6 | -112.3 | -70.6 | 0 | 0 | 0 | 115.9 | ||||
| 1061 | N | 27.8 | Very low | 30.4 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 64% | 0.642 | 75% | 0.75 | S | S | * | * | trans | 70.9 | 150 | 172.4 | -79 | 27.6 | 0 | 0 | 0 | 120.5 | ||||
| 1062 | E | 30.7 | Very low | 30.5 | Very low | 153 Ų | 153 | 145.4 Ų | 145.4 | 72% | 0.715 | 75% | 0.749 | S | S | * | * | trans | 46.5 | 121.8 | 167 | -69.5 | 120.8 | -122 | 0 | 0 | 118.8 | ||||
| 1063 | I | 25.9 | Very low | 30.7 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | 65.2 | 76.2 | 50.6 | -48.7 | 174.7 | 0 | 0 | 0 | 113 | |||||
| 1064 | S | 31.4 | Very low | 30.6 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | trans | -168 | 123.8 | 144.5 | -84 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1065 | L | 30.1 | Very low | 30.9 | Very low | 168 Ų | 168 | 138.1 Ų | 138.1 | 88% | 0.88 | 73% | 0.727 | S | S | * | * | 69.4 | 71.9 | 79.4 | -81.7 | 157.6 | 0 | 0 | 0 | 114.7 | |||||
| 1066 | G | 28.6 | Very low | 30.8 | Very low | 59 Ų | 59 | 138.8 Ų | 138.8 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | 85.6 | 137.7 | 109 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 1067 | N | 28.8 | Very low | 31 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 83% | 0.834 | 72% | 0.719 | S | S | * | * | trans | 74.6 | 155.9 | 154.6 | -46.2 | -20.7 | 0 | 0 | 0 | 115 | ||||
| 1068 | N | 29.5 | Very low | 31.1 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 68% | 0.679 | 71% | 0.713 | S | S | * | * | cis | -156.1 | 170.7 | 4.6 | -144 | -8.2 | 0 | 0 | 0 | 112.1 | ||||
| 1069 | I | 31.2 | Very low | 30.9 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 70% | 0.697 | 71% | 0.709 | S | S | * | * | trans | 70.8 | 138.3 | 153.2 | -70.2 | 159.1 | 0 | 0 | 0 | 114.9 | ||||
| 1070 | D | 32.9 | Very low | 31 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 70% | 0.695 | 70% | 0.704 | S | S | * | * | cis | -144 | 164.1 | 20.8 | -146.9 | -20.6 | 0 | 0 | 0 | 114.8 | ||||
| 1071 | T | 34.3 | Very low | 30.9 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 70% | 0.699 | 70% | 0.702 | S | S | * | * | trans | 66.3 | 135 | 165.9 | 72.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1072 | H | 32.5 | Very low | 31.2 | Very low | 153 Ų | 153 | 126 Ų | 126 | 71% | 0.708 | 70% | 0.704 | S | S | * | * | cis | -157.5 | 132.1 | -8.6 | -138.9 | -124.2 | 0 | 0 | 0 | 109.9 | ||||
| 1073 | I | 30.9 | Very low | 31.1 | Very low | 137 Ų | 137 | 125.3 Ų | 125.3 | 70% | 0.703 | 70% | 0.704 | S | S | * | * | trans | 46.4 | 124.6 | 142 | -59.3 | -172.5 | 0 | 0 | 0 | 118.2 | ||||
| 1074 | S | 31 | Very low | 31.3 | Very low | 88 Ų | 88 | 124.1 Ų | 124.1 | 62% | 0.615 | 70% | 0.699 | S | S | * | * | cis | -158.8 | 154.7 | 23.3 | -136.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1075 | N | 30.4 | Very low | 31 | Very low | 128 Ų | 128 | 126 Ų | 126 | 68% | 0.684 | 70% | 0.701 | S | S | * | * | trans | 43.5 | 141.4 | 137.6 | -62.4 | 10.8 | 0 | 0 | 0 | 121.1 | ||||
| 1076 | Q | 32 | Very low | 31.2 | Very low | 147 Ų | 147 | 123.4 Ų | 123.4 | 69% | 0.687 | 70% | 0.697 | S | S | * | * | cis | -172.2 | 161.1 | 6 | -110.9 | 168.9 | -75.3 | 0 | 0 | 106.4 | ||||
| 1077 | E | 34.7 | Very low | 31 | Very low | 130 Ų | 130 | 130.9 Ų | 130.9 | 61% | 0.607 | 71% | 0.708 | S | S | * | * | cis | -165.1 | 168.3 | -8 | -151.1 | 177.1 | -71.2 | 0 | 0 | 108.8 | ||||
| 1078 | N | 32.1 | Very low | 31.3 | Very low | 127 Ų | 127 | 129 Ų | 129 | 68% | 0.679 | 70% | 0.698 | S | S | * | * | trans | 64.9 | 136.3 | 157.3 | -66.8 | -39.9 | 0 | 0 | 0 | 121.3 | ||||
| 1079 | S | 32.1 | Very low | 31.4 | Very low | 87 Ų | 87 | 130.6 Ų | 130.6 | 61% | 0.608 | 70% | 0.701 | S | S | * | * | cis | -162.9 | 148.4 | -8.1 | -135.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1080 | T | 33 | Very low | 31.2 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 71% | 0.712 | 70% | 0.703 | S | S | * | * | trans | 45.8 | 111.5 | 130.4 | -47.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1081 | V | 28.4 | Very low | 31.1 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 75% | 0.745 | 71% | 0.707 | S | S | * | * | cis | 68.8 | 151.9 | 22.6 | -158.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1082 | P | 34.9 | Very low | 30.9 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 69% | 0.688 | 70% | 0.703 | S | S | * | * | cis | -128 | -148.8 | -21.9 | 24.3 | 3 | 0 | 0 | 0 | 113.3 | ||||
| 1083 | I | 28.4 | Very low | 30.8 | Very low | 138 Ų | 138 | 129.2 Ų | 129.2 | 71% | 0.708 | 71% | 0.706 | S | S | * | * | trans | 115.5 | 105.3 | 142.2 | -67.3 | 165.5 | 0 | 0 | 0 | 121.5 | ||||
| 1084 | N | 29.3 | Very low | 30.7 | Very low | 131 Ų | 131 | 130 Ų | 130 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | 54.8 | 131.6 | 129.5 | -51.6 | -1.5 | 0 | 0 | 0 | 126.9 | |||||
| 1085 | N | 26.2 | Very low | 30.7 | Very low | 145 Ų | 145 | 131.4 Ų | 131.4 | 78% | 0.775 | 70% | 0.701 | S | S | * | * | 44.6 | 113.7 | 127.9 | -53.7 | -3.2 | 0 | 0 | 0 | 123.7 | |||||
| 1086 | S | 33.4 | Very low | 30.5 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 80% | 0.797 | 68% | 0.684 | S | S | * | * | -172.1 | 141.1 | 114.5 | -79.1 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 1087 | Y | 25.3 | Very low | 30.5 | Very low | 215 Ų | 215 | 127.2 Ų | 127.2 | 84% | 0.843 | 68% | 0.681 | S | S | * | * | 76.6 | 149.3 | 63.5 | -110.1 | -88.1 | 0 | 0 | 0 | 114.7 | |||||
| 1088 | D | 34.1 | Very low | 30 | Very low | 117 Ų | 117 | 125.9 Ų | 125.9 | 63% | 0.626 | 69% | 0.685 | S | S | * | * | trans | 74.5 | 119.9 | -177.1 | -64.3 | -30.9 | 0 | 0 | 0 | 116.2 | ||||
| 1089 | Q | 32 | Very low | 29.9 | Very low | 160 Ų | 160 | 125 Ų | 125 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | 76.9 | 143 | 68.1 | -76.3 | -170.2 | 83.3 | 0 | 0 | 112.5 | |||||
| 1090 | L | 27.2 | Very low | 29.5 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 73% | 0.733 | 69% | 0.69 | S | S | * | * | cis | -169.8 | 179.4 | -19.3 | -122.8 | 176.3 | 0 | 0 | 0 | 106.5 | ||||
| 1091 | V | 30.3 | Very low | 29.3 | Very low | 129 Ų | 129 | 132 Ų | 132 | 78% | 0.782 | 70% | 0.695 | S | S | * | * | trans | 69.5 | 146 | 167.3 | -166.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1092 | S | 30.7 | Very low | 29.2 | Very low | 89 Ų | 89 | 132.3 Ų | 132.3 | 62% | 0.622 | 69% | 0.693 | S | S | * | * | cis | -144.1 | 138.4 | -21.5 | -107.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1093 | L | 29.4 | Very low | 28.7 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 76% | 0.764 | 69% | 0.693 | S | S | * | * | 63.3 | 126.2 | 80.1 | -79.2 | 170 | 0 | 0 | 0 | 116.7 | |||||
| 1094 | K | 30.5 | Very low | 28.7 | Very low | 154 Ų | 154 | 131.5 Ų | 131.5 | 67% | 0.67 | 69% | 0.691 | S | S | * | * | trans | 73.8 | 145 | 152.7 | -65.5 | 170.2 | 158.5 | -78.7 | 0 | 117.6 | ||||
| 1095 | E | 29.2 | Very low | 28.6 | Very low | 117 Ų | 117 | 130 Ų | 130 | 55% | 0.547 | 68% | 0.683 | S | S | . | * | cis | -150.8 | 179.1 | -8.9 | -125 | 152.5 | -178.7 | 0 | 0 | 112.4 | M451 | M451-E1095 HydrophobicContact CE-CB 3.61Å; M451-E1095 HydrophobicContact CE-CG 3.49Å; M451-E1095 VanDerWaalsContact CE-CG 3.49Å | ||
| 1096 | E | 28.2 | Very low | 28.9 | Very low | 69 Ų | 69 | 132.1 Ų | 132.1 | 32% | 0.322 | 69% | 0.685 | S | S | . | * | trans | -79.2 | 166.7 | -161.3 | -32.7 | 95.3 | -148.7 | 0 | 0 | 116.2 | M451 S452 | M451-E1096 WeakPolarHBondContact CA-OE2 3.22Å; M451-E1096 WeakPolarHBondContact CB-OE2 3.48Å; M451-E1096 WeakPolarHBondContact CE-OE2 3.36Å; M451-E1096 HydrophobicContact CG-CB 4.17Å; M451-E1096 VanDerWaalsContact CG-O 3.29Å; M451-E1096 WeakPolarHBondContact CG-O 3.3Å; M451-E1096 WeakPolarHBondContact CG-OE2 3.25Å; S452-E1096 PolarHBondContact N-OE2 2.72Å; S452-E1096 WeakPolarHBondContact O-CG 3.25Å; S452-E1096 VanDerWaalsContact O-OE2 3.04Å | ||
| 1097 | N | 30.6 | Very low | 28.6 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 63% | 0.631 | 67% | 0.673 | S | S | * | * | trans | -160.4 | 118.4 | 158.8 | -94.8 | -39.4 | 0 | 0 | 0 | 112.1 | Q450 | Q450-N1097 WeakPolarHBondContact CB-OD1 3.38Å; Q450-N1097 WeakPolarHBondContact CG-OD1 3.35Å; Q450-N1097 PolarHBondContact NE2-OD1 2.9Å; Q450-N1097 VanDerWaalsContact NE2-OD1 3.17Å; Q450-N1097 PolarHBondContact OE1-OD1 3.27Å | ||
| 1098 | C | 24.3 | Very low | 28.8 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 69% | 0.689 | 67% | 0.672 | S | S | * | * | trans | -88 | 123.6 | 176.8 | 177.3 | 0 | 0 | 0 | 0 | 111.6 | Q450 | Q450-C1098 PolarHBondContact NE2-O 2.97Å; Q450-C1098 PolarHBondContact OE1-O 3.47Å | ||
| 1099 | V | 29.7 | Very low | 28.6 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 67% | 0.667 | 68% | 0.677 | S | S | * | * | trans | -139.3 | 141.3 | 175.6 | -174.9 | 0 | 0 | 0 | 0 | 112.2 | Y1101 | V1099-Y1101 HydrophobicContact CG1-CD2 4.01Å; V1099-Y1101 HydrophobicContact CG1-CE2 3.93Å | ||
| 1100 | I | 24.2 | Very low | 28.5 | Very low | 142 Ų | 142 | 127.5 Ų | 127.5 | 73% | 0.728 | 68% | 0.677 | S | S | * | * | trans | -94.9 | 119.1 | -179.8 | -58.4 | 159.6 | 0 | 0 | 0 | 110.4 | ||||
| 1101 | Y | 28.6 | Very low | 28.6 | Very low | 206 Ų | 206 | 127.2 Ų | 127.2 | 81% | 0.808 | 68% | 0.681 | S | S | * | * | trans | -148.6 | 121.5 | 153.4 | -77.8 | -78.1 | 0 | 0 | 0 | 108.5 | V1099 | V1099-Y1101 HydrophobicContact CG1-CD2 4.01Å; V1099-Y1101 HydrophobicContact CG1-CE2 3.93Å | ||
| 1102 | N | 26.3 | Very low | 28.4 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 70% | 0.695 | 68% | 0.677 | S | S | * | * | 74.6 | 124.8 | 60.1 | -88.4 | 1.3 | 0 | 0 | 0 | 116.6 | |||||
| 1103 | C | 24.2 | Very low | 28.3 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 69% | 0.689 | 69% | 0.685 | S | S | * | * | trans | 77.5 | 117.1 | 136.9 | -70.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 1104 | D | 29.9 | Very low | 28.4 | Very low | 126 Ų | 126 | 130.2 Ų | 130.2 | 67% | 0.674 | 69% | 0.688 | S | S | * | * | 82.4 | 107.6 | 121.4 | -73.4 | -66.9 | 0 | 0 | 0 | 124.2 | |||||
| 1105 | N | 26.6 | Very low | 28.5 | Very low | 100 Ų | 100 | 127.5 Ų | 127.5 | 54% | 0.535 | 69% | 0.689 | S | S | . | * | 46.6 | 114.9 | 116.5 | -75.3 | -63.5 | 0 | 0 | 0 | 121.5 | |||||
| 1106 | K | 31.8 | Very low | 28.9 | Very low | 188 Ų | 188 | 130.1 Ų | 130.1 | 82% | 0.817 | 70% | 0.701 | S | S | * | * | -171.5 | 134.4 | 117.2 | -98.8 | 156.9 | -178.5 | 178.2 | 0 | 109.7 | |||||
| 1107 | F | 27.5 | Very low | 29.1 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 54% | 0.535 | 72% | 0.721 | S | S | . | * | 52.2 | 139.2 | 89 | -81.8 | -59.3 | 0 | 0 | 0 | 113.5 | F1137 | F1107-F1137 HydrophobicContact CB-CE2 4.44Å; F1107-F1137 AromaticContact CD1-CD2 3.76Å; F1107-F1137 HydrophobicContact CD1-CD2 3.76Å; F1107-F1137 AromaticContact CD1-CE2 3.58Å; F1107-F1137 HydrophobicContact CD1-CE2 3.58Å; F1107-F1137 HydrophobicContact CD1-CZ 4.27Å; F1107-F1137 HydrophobicContact CD2-CD2 4.28Å; F1107-F1137 AromaticContact CD2-CE1 3.93Å; F1107-F1137 HydrophobicContact CD2-CE1 3.93Å; F1107-F1137 AromaticContact CD2-CE2 3.54Å; F1107-F1137 HydrophobicContact CD2-CE2 3.54Å; F1107-F1137 AromaticContact CD2-CZ 3.35Å; F1107-F1137 HydrophobicContact CD2-CZ 3.35Å; F1107-F1137 HydrophobicContact CE1-CD1 4.36Å; F1107-F1137 AromaticContact CE1-CD2 3.41Å; F1107-F1137 HydrophobicContact CE1-CD2 3.41Å; F1107-F1137 VanDerWaalsContact CE1-CD2 3.41Å; F1107-F1137 AromaticContact CE1-CE2 3.65Å; F1107-F1137 HydrophobicContact CE1-CE2 3.65Å; F1107-F1137 AromaticContact CE1-CG 3.84Å; F1107-F1137 HydrophobicContact CE1-CG 3.84Å; F1107-F1137 HydrophobicContact CE1-CZ 4.24Å; F1107-F1137 AromaticContact CE2-CD1 3.77Å; F1107-F1137 HydrophobicContact CE2-CD1 3.77Å; F1107-F1137 AromaticContact CE2-CD2 3.97Å; F1107-F1137 HydrophobicContact CE2-CD2 3.97Å; F1107-F1137 AromaticContact CE2-CE1 3.37Å; F1107-F1137 HydrophobicContact CE2-CE1 3.37Å; F1107-F1137 AromaticContact CE2-CE2 3.6Å; F1107-F1137 HydrophobicContact CE2-CE2 3.6Å; F1107-F1137 HydrophobicContact CE2-CG 4.09Å; F1107-F1137 AromaticContact CE2-CZ 3.31Å; F1107-F1137 HydrophobicContact CE2-CZ 3.31Å; F1107-F1137 HydrophobicContact CG-CD2 4.2Å; F1107-F1137 AromaticContact CG-CE2 3.54Å; F1107-F1137 HydrophobicContact CG-CE2 3.54Å; F1107-F1137 AromaticContact CG-CZ 3.87Å; F1107-F1137 HydrophobicContact CG-CZ 3.87Å; F1107-F1137 HydrophobicContact CZ-CB 4.47Å; F1107-F1137 AromaticContact CZ-CD1 3.62Å; F1107-F1137 HydrophobicContact CZ-CD1 3.62Å; F1107-F1137 AromaticContact CZ-CD2 3.52Å; F1107-F1137 HydrophobicContact CZ-CD2 3.52Å; F1107-F1137 AromaticContact CZ-CE1 3.75Å; F1107-F1137 HydrophobicContact CZ-CE1 3.75Å; F1107-F1137 AromaticContact CZ-CE2 3.66Å; F1107-F1137 HydrophobicContact CZ-CE2 3.66Å; F1107-F1137 AromaticContact CZ-CG 3.55Å; F1107-F1137 HydrophobicContact CZ-CG 3.55Å; F1107-F1137 AromaticContact CZ-CZ 3.79Å; F1107-F1137 HydrophobicContact CZ-CZ 3.79Å | |||
| 1108 | Q | 29.9 | Very low | 29.1 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 84% | 0.836 | 72% | 0.722 | S | S | * | * | cis | -155.6 | -177.4 | 32.4 | -141.1 | 163.2 | 27.3 | 0 | 0 | 114.2 | ||||
| 1109 | S | 28.8 | Very low | 29.7 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 72% | 0.72 | 73% | 0.725 | S | S | * | * | trans | -133.4 | 145.8 | -164.4 | 59.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1110 | S | 31.1 | Very low | 29.6 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | trans | -165.1 | 138.5 | 154 | 39 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1111 | T | 28.4 | Very low | 30 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | cis | 67.2 | 131.7 | 47.4 | 69.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1112 | S | 27.6 | Very low | 30.1 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | cis | -159 | 152.8 | 16.9 | 49.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1113 | E | 27.7 | Very low | 30.7 | Very low | 171 Ų | 171 | 133.2 Ų | 133.2 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | trans | 35.6 | 125.1 | 140.5 | -56.3 | -177.9 | 155.7 | 0 | 0 | 122.1 | ||||
| 1114 | N | 32.2 | Very low | 31.1 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | -169.9 | 122.3 | 112.1 | -107.8 | -66.5 | 0 | 0 | 0 | 116.7 | |||||
| 1115 | S | 31.6 | Very low | 31.5 | Very low | 97 Ų | 97 | 137.9 Ų | 137.9 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | trans | 55.9 | 157.5 | 132.6 | -122.8 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 1116 | H | 37.3 | Very low | 31.9 | Very low | 172 Ų | 172 | 142.6 Ų | 142.6 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | trans | 79.8 | 69.7 | 155 | -76.8 | 49.3 | 0 | 0 | 0 | 122.5 | ||||
| 1117 | H | 32.3 | Very low | 32.3 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | 49.6 | 105.8 | 106.6 | -153.5 | 63.1 | 0 | 0 | 0 | 121 | |||||
| 1118 | Q | 32.3 | Very low | 32.6 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | 157.6 | 153.4 | 116.8 | -81.6 | -146.5 | 15.7 | 0 | 0 | 116.5 | |||||
| 1119 | Q | 35.6 | Very low | 33 | Very low | 160 Ų | 160 | 135.2 Ų | 135.2 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | 66.7 | 118.8 | 156.1 | -71.3 | 177 | 55.5 | 0 | 0 | 123.2 | ||||
| 1120 | T | 27.7 | Very low | 33.1 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | trans | 1.6 | 150.5 | 137.6 | 37.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1121 | V | 33 | Very low | 33 | Very low | 133 Ų | 133 | 141.2 Ų | 141.2 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | cis | -148.1 | 165.8 | 31.4 | -133.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1122 | S | 31.6 | Very low | 33.1 | Very low | 115 Ų | 115 | 141.6 Ų | 141.6 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -7.3 | 124.7 | 163.1 | -59.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1123 | S | 37.7 | Very low | 33.1 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | -147.3 | 163.2 | 126 | 67.7 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1124 | K | 32 | Very low | 33.2 | Very low | 218 Ų | 218 | 140.4 Ų | 140.4 | 95% | 0.948 | 76% | 0.763 | S | S | * | * | trans | -116.5 | 104.5 | -175.1 | -70.1 | 173.9 | -173.5 | 160.1 | 0 | 111.3 | ||||
| 1125 | S | 39.3 | Very low | 33.2 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | -132.7 | 161.5 | 158.4 | 67.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1126 | K | 34.3 | Very low | 33.1 | Very low | 200 Ų | 200 | 139.6 Ų | 139.6 | 87% | 0.87 | 76% | 0.755 | S | S | * | * | trans | -141.8 | 92.2 | 178.1 | -169.8 | -165.6 | 173.8 | -162.3 | 0 | 110.7 | ||||
| 1127 | P | 39.8 | Very low | 32.9 | Very low | 101 Ų | 101 | 136 Ų | 136 | 66% | 0.656 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 163.7 | 174.8 | -20.7 | 33.9 | 0 | 0 | 0 | 113.2 | ||
| 1128 | P | 34.4 | Very low | 32.8 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 67% | 0.669 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 159.1 | 175.1 | 34.6 | -35.5 | 0 | 0 | 0 | 112.2 | ||
| 1129 | P | 37.7 | Very low | 32.5 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 84% | 0.844 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 120.3 | 170 | 32.4 | -30.3 | 0 | 0 | 0 | 110.9 | ||
| 1130 | L | 31.2 | Very low | 32.3 | Very low | 150 Ų | 150 | 135.1 Ų | 135.1 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | trans | -120.8 | 124.1 | 170.8 | -75.8 | 174.6 | 0 | 0 | 0 | 110.8 | ||||
| 1131 | K | 29.5 | Very low | 32.4 | Very low | 184 Ų | 184 | 136.6 Ų | 136.6 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | trans | 53.9 | 142.3 | 139.1 | -91.5 | -171.2 | 176.4 | -171.4 | 0 | 122.8 | ||||
| 1132 | L | 30.4 | Very low | 32.4 | Very low | 142 Ų | 142 | 137.8 Ų | 137.8 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | trans | 71.8 | 157.9 | 153.5 | -57.7 | 156.3 | 0 | 0 | 0 | 118.3 | ||||
| 1133 | Q | 27.4 | Very low | 32.3 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | cis | -165.9 | 143.5 | -38.2 | -175.2 | 170 | -47.6 | 0 | 0 | 109.8 | ||||
| 1134 | S | 30.5 | Very low | 32.2 | Very low | 93 Ų | 93 | 140.3 Ų | 140.3 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | trans | 47.9 | 176.1 | 163.6 | 67.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1135 | D | 31.6 | Very low | 32.4 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | cis | -127.5 | 140.9 | 9.8 | -57.8 | -51.3 | 0 | 0 | 0 | 111.6 | ||||
| 1136 | V | 30.4 | Very low | 31.9 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 59% | 0.594 | 72% | 0.718 | S | S | * | * | 56.6 | 116.5 | 94.9 | -169.7 | 0 | 0 | 0 | 0 | 117 | |||||
| 1137 | F | 31.5 | Very low | 31.5 | Very low | 97 Ų | 97 | 135.4 Ų | 135.4 | 43% | 0.425 | 71% | 0.709 | S | S | . | * | -175.2 | 159.3 | 116.8 | -103.2 | -68.2 | 0 | 0 | 0 | 114.3 | F1107 | F1107-F1137 HydrophobicContact CB-CE2 4.44Å; F1107-F1137 AromaticContact CD1-CD2 3.76Å; F1107-F1137 HydrophobicContact CD1-CD2 3.76Å; F1107-F1137 AromaticContact CD1-CE2 3.58Å; F1107-F1137 HydrophobicContact CD1-CE2 3.58Å; F1107-F1137 HydrophobicContact CD1-CZ 4.27Å; F1107-F1137 HydrophobicContact CD2-CD2 4.28Å; F1107-F1137 AromaticContact CD2-CE1 3.93Å; F1107-F1137 HydrophobicContact CD2-CE1 3.93Å; F1107-F1137 AromaticContact CD2-CE2 3.54Å; F1107-F1137 HydrophobicContact CD2-CE2 3.54Å; F1107-F1137 AromaticContact CD2-CZ 3.35Å; F1107-F1137 HydrophobicContact CD2-CZ 3.35Å; F1107-F1137 HydrophobicContact CE1-CD1 4.36Å; F1107-F1137 AromaticContact CE1-CD2 3.41Å; F1107-F1137 HydrophobicContact CE1-CD2 3.41Å; F1107-F1137 VanDerWaalsContact CE1-CD2 3.41Å; F1107-F1137 AromaticContact CE1-CE2 3.65Å; F1107-F1137 HydrophobicContact CE1-CE2 3.65Å; F1107-F1137 AromaticContact CE1-CG 3.84Å; F1107-F1137 HydrophobicContact CE1-CG 3.84Å; F1107-F1137 HydrophobicContact CE1-CZ 4.24Å; F1107-F1137 AromaticContact CE2-CD1 3.77Å; F1107-F1137 HydrophobicContact CE2-CD1 3.77Å; F1107-F1137 AromaticContact CE2-CD2 3.97Å; F1107-F1137 HydrophobicContact CE2-CD2 3.97Å; F1107-F1137 AromaticContact CE2-CE1 3.37Å; F1107-F1137 HydrophobicContact CE2-CE1 3.37Å; F1107-F1137 AromaticContact CE2-CE2 3.6Å; F1107-F1137 HydrophobicContact CE2-CE2 3.6Å; F1107-F1137 HydrophobicContact CE2-CG 4.09Å; F1107-F1137 AromaticContact CE2-CZ 3.31Å; F1107-F1137 HydrophobicContact CE2-CZ 3.31Å; F1107-F1137 HydrophobicContact CG-CD2 4.2Å; F1107-F1137 AromaticContact CG-CE2 3.54Å; F1107-F1137 HydrophobicContact CG-CE2 3.54Å; F1107-F1137 AromaticContact CG-CZ 3.87Å; F1107-F1137 HydrophobicContact CG-CZ 3.87Å; F1107-F1137 HydrophobicContact CZ-CB 4.47Å; F1107-F1137 AromaticContact CZ-CD1 3.62Å; F1107-F1137 HydrophobicContact CZ-CD1 3.62Å; F1107-F1137 AromaticContact CZ-CD2 3.52Å; F1107-F1137 HydrophobicContact CZ-CD2 3.52Å; F1107-F1137 AromaticContact CZ-CE1 3.75Å; F1107-F1137 HydrophobicContact CZ-CE1 3.75Å; F1107-F1137 AromaticContact CZ-CE2 3.66Å; F1107-F1137 HydrophobicContact CZ-CE2 3.66Å; F1107-F1137 AromaticContact CZ-CG 3.55Å; F1107-F1137 HydrophobicContact CZ-CG 3.55Å; F1107-F1137 AromaticContact CZ-CZ 3.79Å; F1107-F1137 HydrophobicContact CZ-CZ 3.79Å | |||
| 1138 | N | 30.8 | Very low | 31.1 | Very low | 133 Ų | 133 | 138.4 Ų | 138.4 | 71% | 0.711 | 71% | 0.714 | S | S | * | * | trans | -87.8 | 165.6 | -170.1 | -76.1 | -46.5 | 0 | 0 | 0 | 113.2 | ||||
| 1139 | Y | 27.1 | Very low | 30.9 | Very low | 217 Ų | 217 | 137.9 Ų | 137.9 | 85% | 0.851 | 71% | 0.713 | S | S | * | * | -167.2 | 174 | 68.3 | -129.6 | -94.7 | 0 | 0 | 0 | 116.8 | |||||
| 1140 | S | 30 | Very low | 30.5 | Very low | 91 Ų | 91 | 137.9 Ų | 137.9 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | trans | -58.8 | 171.5 | 165.4 | -153.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 1141 | I | 29.8 | Very low | 30.5 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | cis | -154.6 | 167.4 | 37.3 | -11.7 | 178.8 | 0 | 0 | 0 | 107.9 | ||||
| 1142 | I | 33.1 | Very low | 30.6 | Very low | 158 Ų | 158 | 135.2 Ų | 135.2 | 81% | 0.81 | 70% | 0.7 | S | S | * | * | cis | -151.8 | 156.8 | 47.5 | -69.7 | 178.6 | 0 | 0 | 0 | 110.1 | ||||
| 1143 | N | 30.1 | Very low | 30.5 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 66% | 0.663 | 70% | 0.7 | S | S | * | * | trans | -98.3 | 151 | 176.5 | -92.8 | -70.6 | 0 | 0 | 0 | 114.8 | ||||
| 1144 | K | 35.2 | Very low | 30.6 | Very low | 162 Ų | 162 | 136.2 Ų | 136.2 | 70% | 0.704 | 70% | 0.704 | S | S | * | * | trans | 23.8 | 140.1 | 136.3 | -50.5 | 169.5 | -173.5 | 176.9 | 0 | 121.6 | ||||
| 1145 | D | 35.4 | Very low | 30.9 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 80% | 0.802 | 71% | 0.705 | S | S | * | * | -119.5 | 131.7 | 113.5 | -77.2 | -56.6 | 0 | 0 | 0 | 106.5 | |||||
| 1146 | I | 29.2 | Very low | 31 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 66% | 0.662 | 69% | 0.688 | S | S | * | * | 69.4 | 134.3 | 57.9 | -61.5 | 172.9 | 0 | 0 | 0 | 111.6 | |||||
| 1147 | E | 27.4 | Very low | 31.2 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 67% | 0.673 | 69% | 0.686 | S | S | * | * | cis | 172.2 | 139.1 | -38.7 | -114.7 | -157.3 | 91.4 | 0 | 0 | 105.7 | ||||
| 1148 | Q | 30.9 | Very low | 31.2 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 76% | 0.762 | 70% | 0.698 | S | S | * | * | trans | 67.5 | 156.1 | 162.9 | -52.5 | 171.8 | 33.3 | 0 | 0 | 115.8 | ||||
| 1149 | S | 30.3 | Very low | 31.1 | Very low | 92 Ų | 92 | 140.6 Ų | 140.6 | 64% | 0.643 | 71% | 0.708 | S | S | * | * | cis | -151.7 | 155.2 | 11.2 | 81.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1150 | N | 28 | Very low | 31.3 | Very low | 131 Ų | 131 | 134 Ų | 134 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | trans | 32.8 | 144.4 | 134.2 | -59.4 | -47.4 | 0 | 0 | 0 | 121.3 | ||||
| 1151 | K | 31.1 | Very low | 31.6 | Very low | 180 Ų | 180 | 135.9 Ų | 135.9 | 78% | 0.783 | 71% | 0.709 | S | S | * | * | cis | -170.6 | 159.2 | 7.9 | -119 | 171.1 | -174 | 174.3 | 0 | 111.7 | ||||
| 1152 | S | 32.2 | Very low | 31.7 | Very low | 97 Ų | 97 | 138.5 Ų | 138.5 | 68% | 0.678 | 72% | 0.715 | S | S | * | * | trans | 103.3 | 114.5 | 153.6 | -57.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 1153 | I | 29.5 | Very low | 32.1 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 75% | 0.754 | 71% | 0.707 | S | S | * | * | 70.7 | 123.5 | 89.6 | -62.6 | 161.6 | 0 | 0 | 0 | 111.6 | |||||
| 1154 | E | 29.5 | Very low | 32.5 | Very low | 171 Ų | 171 | 132.9 Ų | 132.9 | 80% | 0.799 | 70% | 0.704 | S | S | * | * | cis | -147.3 | -141.7 | 27.3 | -148.2 | 145.3 | -128 | 0 | 0 | 117.5 | ||||
| 1155 | K | 34.9 | Very low | 32.6 | Very low | 155 Ų | 155 | 128.4 Ų | 128.4 | 67% | 0.674 | 69% | 0.688 | S | S | * | * | trans | -150.9 | 174.6 | -130.2 | -155.7 | 174.6 | -175.5 | 177.6 | 0 | 118.3 | P341 S342 | P341-K1155 WeakPolarHBondContact CB-O 3.22Å; S342-K1155 WeakPolarHBondContact OG-CA 3.46Å; S342-K1155 PolarHBondContact OG-N 3.43Å; S342-K1155 PolarHBondContact OG-O 2.7Å | ||
| 1156 | S | 33.6 | Very low | 32.9 | Very low | 54 Ų | 54 | 125 Ų | 125 | 38% | 0.378 | 68% | 0.68 | S | S | . | * | trans | 66.2 | 130.7 | 177.2 | 71 | 0 | 0 | 0 | 0 | 116.8 | P341 S342 | P341-S1156 CarbonylContact C-O 3.26Å; P341-S1156 WeakPolarHBondContact CB-O 3.26Å; S342-S1156 CarbonylContact C-O 3.58Å; S342-S1156 WeakPolarHBondContact CA-O 3.42Å; S342-S1156 WeakPolarHBondContact CB-O 3.34Å; S342-S1156 PolarHBondContact N-O 2.67Å; S342-S1156 CarbonylContact O-C 3.37Å; S342-S1156 PolarHBondContact OG-O 3.08Å | ||
| 1157 | T | 35.3 | Very low | 33.3 | Very low | 90 Ų | 90 | 121.6 Ų | 121.6 | 55% | 0.552 | 67% | 0.672 | S | S | * | * | cis | -148.6 | 155 | 44.3 | -61.2 | 0 | 0 | 0 | 0 | 115.3 | S342 | S342-T1157 VanDerWaalsContact C-N 3.25Å; S342-T1157 PolarHBondContact O-N 3.28Å | ||
| 1158 | P | 31 | Very low | 34 | Very low | 102 Ų | 102 | 119.5 Ų | 119.5 | 66% | 0.662 | 67% | 0.665 | S | S | * | * | trans | -120 | 178.9 | -168.1 | 43.4 | -32.9 | 0 | 0 | 0 | 117.4 | L343 | L343-P1158 HydrophobicContact CD1-CB 4.4Š| ||
| 1159 | R | 28.8 | Very low | 34.7 | Very low | 248 Ų | 248 | 120.4 Ų | 120.4 | 94% | 0.936 | 66% | 0.662 | S | S | * | * | trans | -143.6 | 120.5 | 171.3 | -154.2 | 176.6 | -165.9 | -144.2 | 4 | 117.5 | ||||
| 1160 | A | 32 | Very low | 35 | Very low | 80 Ų | 80 | 120.4 Ų | 120.4 | 66% | 0.661 | 66% | 0.661 | S | S | * | * | trans | 24.5 | 130.5 | 155.1 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1161 | P | 36.1 | Very low | 35.4 | Very low | 130 Ų | 130 | 122.9 Ų | 122.9 | 84% | 0.844 | 67% | 0.666 | S | S | * | * | trans | -103 | 127 | 161.1 | 35.8 | -28.4 | 0 | 0 | 0 | 114.9 | ||||
| 1162 | F | 32.7 | Very low | 35.8 | Very low | 201 Ų | 201 | 123.2 Ų | 123.2 | 88% | 0.882 | 67% | 0.667 | S | S | * | * | trans | -75.7 | 164.3 | 161.4 | -73.8 | -96.6 | 0 | 0 | 0 | 110.6 | ||||
| 1163 | S | 41.2 | Very low | 36.3 | Very low | 90 Ų | 90 | 128.5 Ų | 128.5 | 63% | 0.629 | 67% | 0.672 | S | S | * | * | cis | -157.4 | 164.9 | -9.3 | 165.1 | 0 | 0 | 0 | 0 | 108.1 | D1165 | S1163-D1165 VanDerWaalsContact C-N 3.27Å; S1163-D1165 PolarHBondContact O-N 3.18Å; S1163-D1165 VanDerWaalsContact O-N 3.12Å | ||
| 1164 | A | 38.7 | Very low | 36.8 | Very low | 74 Ų | 74 | 130.8 Ų | 130.8 | 61% | 0.612 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -21.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | A1166 A1167 | A1164-A1166 PolarHBondContact O-N 2.96Å; A1164-A1166 VanDerWaalsContact O-N 3.17Å; A1164-A1167 WeakPolarHBondContact O-CB 3.43Å; A1164-A1167 PolarHBondContact O-N 3.45Å; A1164-A1167 VanDerWaalsContact O-N 3.08Å |
| 1165 | D | 37.3 | Very low | 37.7 | Very low | 69 Ų | 69 | 127.9 Ų | 127.9 | 37% | 0.369 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -63.5 | -25.1 | -172.6 | -173 | 46.4 | 0 | 0 | 0 | 114.2 | S1163 A1167 N1168 R1169 | S1163-D1165 VanDerWaalsContact C-N 3.27Å; S1163-D1165 PolarHBondContact O-N 3.18Å; S1163-D1165 VanDerWaalsContact O-N 3.12Å; D1165-A1167 PolarHBondContact O-N 3.4Å; D1165-N1168 PolarHBondContact O-N 2.65Å; D1165-R1169 WeakPolarHBondContact O-CG 3.38Å; D1165-R1169 PolarHBondContact O-N 2.89Å; D1165-R1169 IonicContact OD2-CZ 2.75Å; D1165-R1169 IonicContact OD2-NE 2.97Å; D1165-R1169 PolarHBondContact OD2-NE 3.22Å; D1165-R1169 IonicContact OD2-NH2 4Å; D1165-R1169 PolarHBondContact OD2-NH2 3.11Å |
| 1166 | A | 41.2 | Very low | 38.4 | Very low | 77 Ų | 77 | 125.7 Ų | 125.7 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -61.4 | -31.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | A1164 | A1164-A1166 PolarHBondContact O-N 2.96Å; A1164-A1166 VanDerWaalsContact O-N 3.17Å |
| 1167 | A | 37.6 | Very low | 39.4 | Very low | 58 Ų | 58 | 130.8 Ų | 130.8 | 48% | 0.479 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -69.9 | -45.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1164 D1165 R1169 C1170 | A1164-A1167 WeakPolarHBondContact O-CB 3.43Å; A1164-A1167 PolarHBondContact O-N 3.45Å; A1164-A1167 VanDerWaalsContact O-N 3.08Å; D1165-A1167 PolarHBondContact O-N 3.4Å; A1167-R1169 VanDerWaalsContact C-N 3.32Å; A1167-R1169 PolarHBondContact O-N 2.98Å; A1167-C1170 VanDerWaalsContact O-CB 3.32Å; A1167-C1170 WeakPolarHBondContact O-CB 3.43Å; A1167-C1170 PolarHBondContact O-N 3.39Å |
| 1168 | N | 42.3 | Very low | 40.8 | Very low | 101 Ų | 101 | 131.1 Ų | 131.1 | 54% | 0.54 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -61.3 | -38.7 | -179.9 | -66.1 | -22.1 | 0 | 0 | 0 | 112.1 | D1165 C1170 F1171 K1172 | D1165-N1168 PolarHBondContact O-N 2.65Å; N1168-C1170 PolarHBondContact O-N 2.96Å; N1168-F1171 PolarHBondContact O-N 2.98Å; N1168-K1172 PolarHBondContact O-N 2.7Å |
| 1169 | R | 45.5 | Very low | 42.4 | Very low | 182 Ų | 182 | 128.9 Ų | 128.9 | 69% | 0.687 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -65.5 | -23.9 | 174.8 | -66.2 | -177.7 | -165.3 | -146.6 | 4.8 | 113.5 | D1165 A1167 | D1165-R1169 WeakPolarHBondContact O-CG 3.38Å; D1165-R1169 PolarHBondContact O-N 2.89Å; D1165-R1169 IonicContact OD2-CZ 2.75Å; D1165-R1169 IonicContact OD2-NE 2.97Å; D1165-R1169 PolarHBondContact OD2-NE 3.22Å; D1165-R1169 IonicContact OD2-NH2 4Å; D1165-R1169 PolarHBondContact OD2-NH2 3.11Å; A1167-R1169 VanDerWaalsContact C-N 3.32Å; A1167-R1169 PolarHBondContact O-N 2.98Å |
| 1170 | C | 36.4 | Very low | 43.9 | Very low | 92 Ų | 92 | 123 Ų | 123 | 62% | 0.622 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -73.5 | -29.5 | 176 | -153.8 | 0 | 0 | 0 | 0 | 112.7 | A1167 N1168 | A1167-C1170 VanDerWaalsContact O-CB 3.32Å; A1167-C1170 WeakPolarHBondContact O-CB 3.43Å; A1167-C1170 PolarHBondContact O-N 3.39Å; N1168-C1170 PolarHBondContact O-N 2.96Å |
| 1171 | F | 37 | Very low | 45.5 | Very low | 183 Ų | 183 | 123.7 Ų | 123.7 | 80% | 0.803 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -83.5 | -16.1 | 175.5 | -75.8 | -80.8 | 0 | 0 | 0 | 114.1 | N1168 R1173 | N1168-F1171 PolarHBondContact O-N 2.98Å; F1171-R1173 PolarHBondContact O-N 3.19Å |
| 1172 | K | 38.5 | Very low | 46.8 | Very low | 186 Ų | 186 | 121.1 Ų | 121.1 | 81% | 0.809 | 62% | 0.615 | S | S | * | * | trans | -72.6 | 65.1 | 172.9 | -91 | -177.4 | 172.3 | 174.4 | 0 | 113.1 | N1168 | N1168-K1172 PolarHBondContact O-N 2.7Š| ||
| 1173 | R | 43.1 | Very low | 48.2 | Very low | 209 Ų | 209 | 114.8 Ų | 114.8 | 79% | 0.789 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -107.9 | 132.5 | 154.8 | -69.6 | -175.1 | -177.6 | 142.2 | 9.2 | 107.7 | F1171 F1175 | F1171-R1173 PolarHBondContact O-N 3.19Å; R1173-F1175 PolarHBondContact O-N 2.93Å; R1173-F1175 VanDerWaalsContact O-N 3.15Å |
| 1174 | K | 40.8 | Very low | 49.4 | Very low | 195 Ų | 195 | 114.5 Ų | 114.5 | 85% | 0.848 | 59% | 0.594 | S | S | * | * | trans | -42 | 118.2 | -172.3 | -77.6 | 178.2 | 161.2 | -78.4 | 0 | 111.8 | ||||
| 1175 | F | 47.7 | Very low | 50.6 | Low | 110 Ų | 110 | 118.9 Ų | 118.9 | 48% | 0.482 | 60% | 0.602 | S | S | . | * | trans | -59.7 | 138.8 | 144.1 | -97 | -112 | 0 | 0 | 0 | 107.7 | R1173 T1179 E1180 L1183 | R1173-F1175 PolarHBondContact O-N 2.93Å; R1173-F1175 VanDerWaalsContact O-N 3.15Å; F1175-T1179 WeakPolarHBondContact CD1-OG1 3.45Å; F1175-E1180 HydrophobicContact CB-CG 4.13Å; F1175-E1180 HydrophobicContact CD1-CG 4.07Å; F1175-E1180 HydrophobicContact CG-CG 4.37Å; F1175-L1183 HydrophobicContact CD1-CD1 4.39Å; F1175-L1183 HydrophobicContact CE1-CD1 3.39Å; F1175-L1183 HydrophobicContact CE1-CG 3.79Å; F1175-L1183 HydrophobicContact CZ-CD1 3.65Å; F1175-L1183 HydrophobicContact CZ-CG 4.45Å | ||
| 1176 | D | 50.1 | Low | 51.7 | Low | 109 Ų | 109 | 117.6 Ų | 117.6 | 58% | 0.583 | 59% | 0.594 | S | S | * | * | trans | -80.3 | 151 | 161.9 | -67.2 | -46.1 | 0 | 0 | 0 | 108 | T1178 T1179 E1180 | D1176-T1178 PolarHBondContact O-N 3.17Å; D1176-T1179 PolarHBondContact N-OG1 3.1Å; D1176-T1179 WeakPolarHBondContact O-CA 3.37Å; D1176-T1179 WeakPolarHBondContact O-CB 3.47Å; D1176-T1179 PolarHBondContact O-N 3.16Å; D1176-T1179 PolarHBondContact O-OG1 3.2Å; D1176-E1180 PolarHBondContact O-N 3.19Å | ||
| 1177 | E | 53.8 | Low | 52.9 | Low | 161 Ų | 161 | 118.3 Ų | 118.3 | 75% | 0.752 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.1 | -26.7 | -173.1 | -163.4 | 162.4 | -160.1 | 0 | 0 | 112.5 | N1181 | E1177-N1181 WeakPolarHBondContact O-CB 3.42Å; E1177-N1181 PolarHBondContact O-N 2.83Å; E1177-N1181 PolarHBondContact O-ND2 3.28Å |
| 1178 | T | 64 | Low | 53.7 | Low | 97 Ų | 97 | 120.1 Ų | 120.1 | 60% | 0.595 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.8 | -41.1 | 166.9 | 43.3 | 0 | 0 | 0 | 0 | 112.7 | D1176 I1182 | D1176-T1178 PolarHBondContact O-N 3.17Å; T1178-I1182 WeakPolarHBondContact O-CB 3.31Å; T1178-I1182 WeakPolarHBondContact O-CD1 3.44Å; T1178-I1182 WeakPolarHBondContact O-CG1 3.3Å; T1178-I1182 PolarHBondContact O-N 2.95Å |
| 1179 | T | 65.9 | Low | 54.7 | Low | 54 Ų | 54 | 126 Ų | 126 | 33% | 0.331 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -71.2 | -32.8 | 174.7 | 34.3 | 0 | 0 | 0 | 0 | 113.2 | F1175 D1176 I1182 L1183 | F1175-T1179 WeakPolarHBondContact CD1-OG1 3.45Å; D1176-T1179 PolarHBondContact N-OG1 3.1Å; D1176-T1179 WeakPolarHBondContact O-CA 3.37Å; D1176-T1179 WeakPolarHBondContact O-CB 3.47Å; D1176-T1179 PolarHBondContact O-N 3.16Å; D1176-T1179 PolarHBondContact O-OG1 3.2Å; T1179-I1182 PolarHBondContact O-N 2.96Å; T1179-L1183 WeakPolarHBondContact O-CG 3.18Å; T1179-L1183 PolarHBondContact O-N 2.89Å |
| 1180 | E | 61.1 | Low | 55.7 | Low | 125 Ų | 125 | 126.4 Ų | 126.4 | 58% | 0.584 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.4 | -43 | 171.9 | -101.2 | 177.8 | -174.2 | 0 | 0 | 111.4 | F1175 D1176 I1182 L1183 A1184 | F1175-E1180 HydrophobicContact CB-CG 4.13Å; F1175-E1180 HydrophobicContact CD1-CG 4.07Å; F1175-E1180 HydrophobicContact CG-CG 4.37Å; D1176-E1180 PolarHBondContact O-N 3.19Å; E1180-I1182 VanDerWaalsContact C-N 3.33Å; E1180-I1182 PolarHBondContact O-N 3.08Å; E1180-L1183 PolarHBondContact O-N 3.15Å; E1180-A1184 WeakPolarHBondContact O-CB 3.49Å; E1180-A1184 PolarHBondContact O-N 3.36Å |
| 1181 | N | 65.2 | Low | 57 | Low | 95 Ų | 95 | 129 Ų | 129 | 51% | 0.508 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -60 | -39.8 | 171.4 | -83.2 | -70.2 | 0 | 0 | 0 | 112.8 | E1177 A1184 Q1185 | E1177-N1181 WeakPolarHBondContact O-CB 3.42Å; E1177-N1181 PolarHBondContact O-N 2.83Å; E1177-N1181 PolarHBondContact O-ND2 3.28Å; N1181-A1184 PolarHBondContact O-N 3.01Å; N1181-Q1185 WeakPolarHBondContact O-CG 3.38Å; N1181-Q1185 PolarHBondContact O-N 3.03Å |
| 1182 | I | 62.9 | Low | 58.2 | Low | 75 Ų | 75 | 125.7 Ų | 125.7 | 39% | 0.385 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.3 | -37.5 | 175.3 | -72.4 | 163.2 | 0 | 0 | 0 | 111.7 | T1178 T1179 E1180 I1186 | T1178-I1182 WeakPolarHBondContact O-CB 3.31Å; T1178-I1182 WeakPolarHBondContact O-CD1 3.44Å; T1178-I1182 WeakPolarHBondContact O-CG1 3.3Å; T1178-I1182 PolarHBondContact O-N 2.95Å; T1179-I1182 PolarHBondContact O-N 2.96Å; E1180-I1182 VanDerWaalsContact C-N 3.33Å; E1180-I1182 PolarHBondContact O-N 3.08Å; I1182-I1186 HydrophobicContact CG2-CD1 4.41Å; I1182-I1186 WeakPolarHBondContact O-CD1 3.46Å; I1182-I1186 VanDerWaalsContact O-CG1 3.31Å; I1182-I1186 WeakPolarHBondContact O-CG1 3.15Å; I1182-I1186 PolarHBondContact O-N 3.43Å |
| 1183 | L | 62 | Low | 59.3 | Low | 69 Ų | 69 | 121 Ų | 121 | 36% | 0.361 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -73.2 | -36.2 | 174 | -64.1 | -162.1 | 0 | 0 | 0 | 112.5 | F1175 T1179 E1180 Q1185 I1186 F1188 | F1175-L1183 HydrophobicContact CD1-CD1 4.39Å; F1175-L1183 HydrophobicContact CE1-CD1 3.39Å; F1175-L1183 HydrophobicContact CE1-CG 3.79Å; F1175-L1183 HydrophobicContact CZ-CD1 3.65Å; F1175-L1183 HydrophobicContact CZ-CG 4.45Å; T1179-L1183 WeakPolarHBondContact O-CG 3.18Å; T1179-L1183 PolarHBondContact O-N 2.89Å; E1180-L1183 PolarHBondContact O-N 3.15Å; L1183-Q1185 VanDerWaalsContact C-N 3.31Å; L1183-Q1185 PolarHBondContact O-N 3.34Å; L1183-I1186 HydrophobicContact CD2-CD1 4.17Å; L1183-I1186 PolarHBondContact O-N 2.98Å; L1183-F1188 HydrophobicContact CB-CE2 4.47Å; L1183-F1188 HydrophobicContact CB-CZ 4.46Å; L1183-F1188 HydrophobicContact CD2-CZ 4.24Å; L1183-F1188 WeakPolarHBondContact O-CE2 3.38Å |
| 1184 | A | 67.2 | Low | 60.2 | Low | 84 Ų | 84 | 119 Ų | 119 | 69% | 0.694 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.9 | -35.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1180 N1181 I1186 | E1180-A1184 WeakPolarHBondContact O-CB 3.49Å; E1180-A1184 PolarHBondContact O-N 3.36Å; N1181-A1184 PolarHBondContact O-N 3.01Å; A1184-I1186 VanDerWaalsContact C-N 3.28Å; A1184-I1186 PolarHBondContact O-N 3.19Å |
| 1185 | Q | 63.9 | Low | 60.9 | Low | 166 Ų | 166 | 114.4 Ų | 114.4 | 78% | 0.776 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -18.3 | 171.6 | -73.7 | -176.9 | -4.9 | 0 | 0 | 113.7 | N1181 L1183 N1187 | N1181-Q1185 WeakPolarHBondContact O-CG 3.38Å; N1181-Q1185 PolarHBondContact O-N 3.03Å; L1183-Q1185 VanDerWaalsContact C-N 3.31Å; L1183-Q1185 PolarHBondContact O-N 3.34Å; Q1185-N1187 PolarHBondContact O-N 3.13Å |
| 1186 | I | 60.6 | Low | 61.5 | Low | 42 Ų | 42 | 115.1 Ų | 115.1 | 22% | 0.215 | 57% | 0.567 | C | S | . | * | S | Bend | trans | -84.7 | 99.5 | 175.5 | -65.3 | 164.1 | 0 | 0 | 0 | 108.9 | I1182 L1183 A1184 F1188 | I1182-I1186 HydrophobicContact CG2-CD1 4.41Å; I1182-I1186 WeakPolarHBondContact O-CD1 3.46Å; I1182-I1186 VanDerWaalsContact O-CG1 3.31Å; I1182-I1186 WeakPolarHBondContact O-CG1 3.15Å; I1182-I1186 PolarHBondContact O-N 3.43Å; L1183-I1186 HydrophobicContact CD2-CD1 4.17Å; L1183-I1186 PolarHBondContact O-N 2.98Å; A1184-I1186 VanDerWaalsContact C-N 3.28Å; A1184-I1186 PolarHBondContact O-N 3.19Å; I1186-F1188 HydrophobicContact CB-CE1 4.26Å; I1186-F1188 HydrophobicContact CB-CE2 4.13Å; I1186-F1188 HydrophobicContact CB-CZ 3.96Å; I1186-F1188 HydrophobicContact CG2-CD1 3.67Å; I1186-F1188 HydrophobicContact CG2-CD2 4.25Å; I1186-F1188 HydrophobicContact CG2-CE1 3.52Å; I1186-F1188 HydrophobicContact CG2-CE2 4.1Å; I1186-F1188 HydrophobicContact CG2-CG 4.05Å; I1186-F1188 HydrophobicContact CG2-CZ 3.75Å; I1186-F1188 WeakPolarHBondContact O-CD2 3.44Å; I1186-F1188 WeakPolarHBondContact O-CE2 3.37Å; I1186-F1188 PolarHBondContact O-N 3.24Å |
| 1187 | N | 64.9 | Low | 61.8 | Low | 92 Ų | 92 | 119.8 Ų | 119.8 | 49% | 0.492 | 58% | 0.582 | S | S | . | * | trans | -69 | 83.4 | 169 | -170.6 | -39.5 | 0 | 0 | 0 | 110.2 | Q1185 R1189 R1190 R1191 | Q1185-N1187 PolarHBondContact O-N 3.13Å; N1187-R1189 PolarHBondContact O-N 2.87Å; N1187-R1189 PolarHBondContact OD1-N 3.44Å; N1187-R1190 HydrophobicContact CB-CB 4.3Å; N1187-R1190 PolarHBondContact O-N 3.25Å; N1187-R1190 VanDerWaalsContact O-N 3.12Å; N1187-R1190 PolarHBondContact OD1-N 3.47Å; N1187-R1191 WeakPolarHBondContact O-CB 3.48Å; N1187-R1191 PolarHBondContact O-N 2.96Å | ||
| 1188 | F | 54.7 | Low | 61.2 | Low | 96 Ų | 96 | 120.7 Ų | 120.7 | 42% | 0.421 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -55.9 | -33.3 | 179.4 | -64.4 | -76.7 | 0 | 0 | 0 | 112.6 | L1183 I1186 R1190 R1191 F1192 | L1183-F1188 HydrophobicContact CB-CE2 4.47Å; L1183-F1188 HydrophobicContact CB-CZ 4.46Å; L1183-F1188 HydrophobicContact CD2-CZ 4.24Å; L1183-F1188 WeakPolarHBondContact O-CE2 3.38Å; I1186-F1188 HydrophobicContact CB-CE1 4.26Å; I1186-F1188 HydrophobicContact CB-CE2 4.13Å; I1186-F1188 HydrophobicContact CB-CZ 3.96Å; I1186-F1188 HydrophobicContact CG2-CD1 3.67Å; I1186-F1188 HydrophobicContact CG2-CD2 4.25Å; I1186-F1188 HydrophobicContact CG2-CE1 3.52Å; I1186-F1188 HydrophobicContact CG2-CE2 4.1Å; I1186-F1188 HydrophobicContact CG2-CG 4.05Å; I1186-F1188 HydrophobicContact CG2-CZ 3.75Å; I1186-F1188 WeakPolarHBondContact O-CD2 3.44Å; I1186-F1188 WeakPolarHBondContact O-CE2 3.37Å; I1186-F1188 PolarHBondContact O-N 3.24Å; F1188-R1190 VanDerWaalsContact C-N 3.34Å; F1188-R1190 PolarHBondContact O-N 3.23Å; F1188-R1191 CarbonylContact O-C 3.55Å; F1188-R1191 PolarHBondContact O-N 2.95Å; F1188-R1191 VanDerWaalsContact O-N 3.15Å; F1188-F1192 HydrophobicContact CB-CD2 4.25Å; F1188-F1192 HydrophobicContact CB-CE2 4.41Å; F1188-F1192 AromaticContact CD1-CE2 3.87Å; F1188-F1192 HydrophobicContact CD1-CE2 3.87Å; F1188-F1192 WeakPolarHBondContact O-CD2 3.43Å; F1188-F1192 PolarHBondContact O-N 3.09Å |
| 1189 | R | 63 | Low | 60.5 | Low | 225 Ų | 225 | 120.1 Ų | 120.1 | 85% | 0.849 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.2 | -36.5 | 179.2 | -157 | 175.1 | -172 | -174.9 | 2.1 | 112 | N1187 S1193 | N1187-R1189 PolarHBondContact O-N 2.87Å; N1187-R1189 PolarHBondContact OD1-N 3.44Å; R1189-S1193 WeakPolarHBondContact O-CB 3.46Å; R1189-S1193 PolarHBondContact O-N 3.02Å |
| 1190 | R | 67.2 | Low | 59.6 | Low | 190 Ų | 190 | 121.9 Ų | 121.9 | 72% | 0.717 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -80 | -28.4 | 170.5 | -170.5 | -175.9 | -71.8 | -177.9 | -2.7 | 112.7 | N1187 F1188 F1192 S1193 | N1187-R1190 HydrophobicContact CB-CB 4.3Å; N1187-R1190 PolarHBondContact O-N 3.25Å; N1187-R1190 VanDerWaalsContact O-N 3.12Å; N1187-R1190 PolarHBondContact OD1-N 3.47Å; F1188-R1190 VanDerWaalsContact C-N 3.34Å; F1188-R1190 PolarHBondContact O-N 3.23Å; R1190-F1192 VanDerWaalsContact C-N 3.34Å; R1190-S1193 PolarHBondContact O-OG 3.2Å |
| 1191 | R | 63.6 | Low | 58.8 | Low | 146 Ų | 146 | 122.8 Ų | 122.8 | 55% | 0.551 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -81.9 | -8.4 | -180 | -157.7 | 168.5 | -172.8 | 156.2 | 4.2 | 114.3 | N1187 F1188 Y1194 | N1187-R1191 WeakPolarHBondContact O-CB 3.48Å; N1187-R1191 PolarHBondContact O-N 2.96Å; F1188-R1191 CarbonylContact O-C 3.55Å; F1188-R1191 PolarHBondContact O-N 2.95Å; F1188-R1191 VanDerWaalsContact O-N 3.15Å; R1191-Y1194 PolarHBondContact O-OH 3.43Å |
| 1192 | F | 62.7 | Low | 57.7 | Low | 113 Ų | 113 | 123 Ų | 123 | 50% | 0.496 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -129.8 | 10.1 | 175 | -61.9 | -53.8 | 0 | 0 | 0 | 113.5 | F1188 R1190 Y1194 L1195 | F1188-F1192 HydrophobicContact CB-CD2 4.25Å; F1188-F1192 HydrophobicContact CB-CE2 4.41Å; F1188-F1192 AromaticContact CD1-CE2 3.87Å; F1188-F1192 HydrophobicContact CD1-CE2 3.87Å; F1188-F1192 WeakPolarHBondContact O-CD2 3.43Å; F1188-F1192 PolarHBondContact O-N 3.09Å; R1190-F1192 VanDerWaalsContact C-N 3.34Å; F1192-Y1194 PolarHBondContact O-N 2.97Å; F1192-Y1194 VanDerWaalsContact O-N 3.15Å; F1192-L1195 HydrophobicContact CB-CD1 4.16Å; F1192-L1195 HydrophobicContact CB-CG 4.49Å; F1192-L1195 HydrophobicContact CD1-CD1 3.55Å; F1192-L1195 HydrophobicContact CD1-CG 4.29Å; F1192-L1195 HydrophobicContact CE1-CD1 4.29Å; F1192-L1195 HydrophobicContact CG-CD1 4.16Å; F1192-L1195 PolarHBondContact O-N 3.48Å; F1192-L1195 VanDerWaalsContact O-N 3.07Å |
| 1193 | S | 60.6 | Low | 56.4 | Low | 88 Ų | 88 | 125.7 Ų | 125.7 | 62% | 0.615 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -15.5 | 179.3 | 56.6 | 0 | 0 | 0 | 0 | 114.3 | R1189 R1190 | R1189-S1193 WeakPolarHBondContact O-CB 3.46Å; R1189-S1193 PolarHBondContact O-N 3.02Å; R1190-S1193 PolarHBondContact O-OG 3.2Å |
| 1194 | Y | 63 | Low | 55.1 | Low | 166 Ų | 166 | 127.5 Ų | 127.5 | 65% | 0.651 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 2.9 | 176.3 | 42.4 | -99.3 | 0 | 0 | 0 | 113.6 | R1191 F1192 | R1191-Y1194 PolarHBondContact O-OH 3.43Å; F1192-Y1194 PolarHBondContact O-N 2.97Å; F1192-Y1194 VanDerWaalsContact O-N 3.15Å |
| 1195 | L | 55.6 | Low | 53.6 | Low | 100 Ų | 100 | 131 Ų | 131 | 52% | 0.524 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -84.1 | 140.7 | 167.4 | -66.2 | -177.2 | 0 | 0 | 0 | 109.9 | F1192 K1197 | F1192-L1195 HydrophobicContact CB-CD1 4.16Å; F1192-L1195 HydrophobicContact CB-CG 4.49Å; F1192-L1195 HydrophobicContact CD1-CD1 3.55Å; F1192-L1195 HydrophobicContact CD1-CG 4.29Å; F1192-L1195 HydrophobicContact CE1-CD1 4.29Å; F1192-L1195 HydrophobicContact CG-CD1 4.16Å; F1192-L1195 PolarHBondContact O-N 3.48Å; F1192-L1195 VanDerWaalsContact O-N 3.07Å; L1195-K1197 PolarHBondContact O-N 3.19Å |
| 1196 | P | 60 | Low | 52.2 | Low | 124 Ų | 124 | 129.7 Ų | 129.7 | 81% | 0.805 | 65% | 0.652 | S | S | * | * | trans | -53.9 | 135.8 | 172.4 | -26.2 | 34.9 | 0 | 0 | 0 | 111.7 | F1198 | P1196-F1198 PolarHBondContact O-N 3.25Š| ||
| 1197 | K | 56.6 | Low | 51 | Low | 208 Ų | 208 | 137.2 Ų | 137.2 | 90% | 0.904 | 69% | 0.686 | S | S | * | * | trans | -64.8 | 106.7 | 173.9 | -74.7 | -178.4 | 179.8 | 174.4 | 0 | 109.2 | L1195 N1199 | L1195-K1197 PolarHBondContact O-N 3.19Å; K1197-N1199 PolarHBondContact O-N 2.92Å; K1197-N1199 VanDerWaalsContact O-N 3.15Å | ||
| 1198 | F | 41.5 | Very low | 49.4 | Very low | 180 Ų | 180 | 135.7 Ų | 135.7 | 79% | 0.789 | 69% | 0.692 | S | S | * | * | trans | -62.1 | 113.6 | 171.4 | -179.2 | -101.5 | 0 | 0 | 0 | 109.7 | P1196 P1200 | P1196-F1198 PolarHBondContact O-N 3.25Å; F1198-P1200 HydrophobicContact CE1-CB 4.03Å | ||
| 1199 | N | 49.1 | Very low | 48.3 | Very low | 85 Ų | 85 | 139.9 Ų | 139.9 | 46% | 0.455 | 72% | 0.718 | S | S | . | * | trans | -100.2 | 108.5 | 175.7 | -172.4 | -4.6 | 0 | 0 | 0 | 108.6 | K1197 N1201 T1202 | K1197-N1199 PolarHBondContact O-N 2.92Å; K1197-N1199 VanDerWaalsContact O-N 3.15Å; N1199-N1201 PolarHBondContact O-N 3.44Å; N1199-N1201 PolarHBondContact OD1-N 3.22Å; N1199-T1202 HydrophobicContact CB-CG2 4.11Å; N1199-T1202 WeakPolarHBondContact ND2-CG2 3.39Å; N1199-T1202 PolarHBondContact O-OG1 2.88Å | ||
| 1200 | P | 46 | Very low | 46.7 | Very low | 91 Ų | 91 | 134.3 Ų | 134.3 | 59% | 0.591 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -10 | -176.8 | 27.3 | -33.7 | 0 | 0 | 0 | 113.9 | F1198 | F1198-P1200 HydrophobicContact CE1-CB 4.03Š|
| 1201 | N | 44.1 | Very low | 45 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 20.4 | -171.5 | -61.4 | 3.6 | 0 | 0 | 0 | 113.6 | N1199 | N1199-N1201 PolarHBondContact O-N 3.44Å; N1199-N1201 PolarHBondContact OD1-N 3.22Å |
| 1202 | T | 41.8 | Very low | 43.7 | Very low | 98 Ų | 98 | 128.9 Ų | 128.9 | 60% | 0.601 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -123.5 | 23.9 | -174.1 | 64 | 0 | 0 | 0 | 0 | 114.2 | N1199 | N1199-T1202 HydrophobicContact CB-CG2 4.11Å; N1199-T1202 WeakPolarHBondContact ND2-CG2 3.39Å; N1199-T1202 PolarHBondContact O-OG1 2.88Å |
| 1203 | V | 35.7 | Very low | 42.2 | Very low | 133 Ų | 133 | 129.1 Ų | 129.1 | 81% | 0.806 | 74% | 0.735 | S | S | * | * | trans | -137.7 | 78 | 178.8 | -168.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1204 | S | 34.7 | Very low | 40.7 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | trans | -128.3 | 140 | 161.6 | -67.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1205 | D | 36.9 | Very low | 39.3 | Very low | 157 Ų | 157 | 127.9 Ų | 127.9 | 84% | 0.84 | 75% | 0.745 | S | S | * | * | trans | 63.8 | 130.1 | 164.2 | -50.8 | -37.2 | 0 | 0 | 0 | 119.4 | ||||
| 1206 | T | 33.9 | Very low | 38.2 | Very low | 138 Ų | 138 | 130.4 Ų | 130.4 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | trans | -104 | 133.4 | -177.5 | 50.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1207 | Q | 35 | Very low | 37.2 | Very low | 201 Ų | 201 | 132.5 Ų | 132.5 | 94% | 0.939 | 76% | 0.758 | S | S | * | * | trans | -119.1 | 154 | 148.8 | -68 | -168.2 | -5 | 0 | 0 | 109.1 | ||||
| 1208 | G | 32.5 | Very low | 36.1 | Very low | 60 Ų | 60 | 129.5 Ų | 129.5 | 62% | 0.619 | 75% | 0.751 | S | S | * | * | trans | -134 | -178.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1209 | L | 30.4 | Very low | 35.8 | Very low | 183 Ų | 183 | 126.5 Ų | 126.5 | 96% | 0.958 | 75% | 0.748 | S | S | * | * | trans | 72.8 | 141.1 | -157 | -49 | 156.6 | 0 | 0 | 0 | 110 | ||||
| 1210 | S | 29.2 | Very low | 35.1 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | cis | -153.5 | 165.2 | -5.5 | 45 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1211 | S | 32.6 | Very low | 34.6 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -68.2 | 164.1 | 159 | -35.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1212 | P | 36.8 | Very low | 34.1 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | cis | -132.3 | -165.5 | -7.7 | 38.3 | -18.7 | 0 | 0 | 0 | 113.1 | ||||
| 1213 | T | 29.7 | Very low | 33.8 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | trans | 69.7 | 96.2 | 146.7 | -52.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 1214 | S | 28.9 | Very low | 33.6 | Very low | 95 Ų | 95 | 130.7 Ų | 130.7 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | trans | 72.7 | 163.6 | 136.2 | 81.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1215 | V | 34.1 | Very low | 33.7 | Very low | 134 Ų | 134 | 131 Ų | 131 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | 66.6 | 148 | 165.3 | -59.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1216 | D | 33.2 | Very low | 33.3 | Very low | 152 Ų | 152 | 129 Ų | 129 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -85.8 | -177.9 | -163.2 | -58.1 | -89.7 | 0 | 0 | 0 | 115.6 | ||||
| 1217 | Q | 38.1 | Very low | 33.2 | Very low | 168 Ų | 168 | 130.5 Ų | 130.5 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | 102.6 | 93.7 | 154.7 | -52.3 | -158.5 | 37.5 | 0 | 0 | 119.1 | ||||
| 1218 | L | 34 | Very low | 33 | Very low | 145 Ų | 145 | 126.3 Ų | 126.3 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | 71.7 | 134.9 | 115.8 | -70.5 | 165.2 | 0 | 0 | 0 | 121.8 | |||||
| 1219 | T | 34.6 | Very low | 32.8 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | trans | 70.5 | 93 | 144.7 | -55 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1220 | V | 35.1 | Very low | 32.8 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | 96 | 142 | 62.3 | 161 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1221 | R | 34.9 | Very low | 32.9 | Very low | 227 Ų | 227 | 126.5 Ų | 126.5 | 86% | 0.857 | 74% | 0.736 | S | S | * | * | trans | 79 | 121.2 | 178.9 | -76.3 | 157.6 | 130.7 | -176.2 | -6.8 | 114.8 | ||||
| 1222 | S | 33.8 | Very low | 32.8 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 81% | 0.811 | 73% | 0.732 | S | S | * | * | 94.3 | 136 | 53.1 | -71.4 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1223 | A | 36.3 | Very low | 32.5 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | cis | -165.9 | 172.5 | -6.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1224 | G | 32 | Very low | 32.5 | Very low | 73 Ų | 73 | 129.8 Ų | 129.8 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | trans | 108.1 | 129.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1225 | P | 36.8 | Very low | 32.7 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | trans | -112.1 | 144.9 | -176.8 | 38.2 | -29.6 | 0 | 0 | 0 | 114.7 | ||||
| 1226 | C | 28 | Very low | 32.4 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | trans | 60.9 | 158 | 150.4 | -56.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1227 | F | 30.9 | Very low | 32.6 | Very low | 171 Ų | 171 | 126.8 Ų | 126.8 | 75% | 0.75 | 74% | 0.741 | S | S | * | * | cis | -162.8 | 165.9 | 12.1 | -137.4 | -45.4 | 0 | 0 | 0 | 108 | ||||
| 1228 | Y | 30.4 | Very low | 32.3 | Very low | 112 Ų | 112 | 124.3 Ų | 124.3 | 44% | 0.439 | 74% | 0.737 | S | S | . | * | trans | 73 | 152.7 | 166 | -78.2 | -119.1 | 0 | 0 | 0 | 117.8 | I367 T368 | I367-Y1228 WeakPolarHBondContact CD1-OH 3.39Å; I367-Y1228 WeakPolarHBondContact CG1-OH 3.46Å; T368-Y1228 WeakPolarHBondContact CB-OH 3.24Å; T368-Y1228 HydrophobicContact CG2-CE2 4.49Å; T368-Y1228 WeakPolarHBondContact CG2-OH 3.39Å; T368-Y1228 PolarHBondContact OG1-OH 3.45Å | ||
| 1229 | S | 29.9 | Very low | 32.6 | Very low | 73 Ų | 73 | 122.8 Ų | 122.8 | 51% | 0.51 | 74% | 0.736 | S | S | . | * | cis | -165.5 | 157.4 | -27.7 | 56 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1230 | E | 29.9 | Very low | 32.5 | Very low | 169 Ų | 169 | 122.3 Ų | 122.3 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | trans | 61.7 | 168 | 157.4 | -69.1 | 160.7 | 130.5 | 0 | 0 | 115.9 | ||||
| 1231 | T | 31.4 | Very low | 32.5 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | cis | -141.5 | 165.6 | 11.4 | -30.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1232 | T | 29.5 | Very low | 32.1 | Very low | 112 Ų | 112 | 117.1 Ų | 117.1 | 69% | 0.687 | 72% | 0.724 | S | S | * | * | trans | -2.4 | 143.7 | 158 | 57.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1233 | Q | 31.4 | Very low | 32.2 | Very low | 167 Ų | 167 | 118.9 Ų | 118.9 | 78% | 0.78 | 72% | 0.723 | S | S | * | * | -169.4 | 153.7 | 70.8 | -82.7 | -176.8 | 4.6 | 0 | 0 | 114.5 | |||||
| 1234 | T | 29.7 | Very low | 32 | Very low | 128 Ų | 128 | 120.5 Ų | 120.5 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | trans | 32.5 | 127.9 | 145.6 | 63.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1235 | G | 33.3 | Very low | 32.1 | Very low | 73 Ų | 73 | 122.3 Ų | 122.3 | 75% | 0.753 | 71% | 0.714 | S | S | * | * | trans | 81.9 | 163.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1236 | S | 28.4 | Very low | 31.7 | Very low | 111 Ų | 111 | 120.8 Ų | 120.8 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | cis | -177.8 | 170.1 | -18.3 | 42.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1237 | V | 35.4 | Very low | 31.8 | Very low | 134 Ų | 134 | 122.8 Ų | 122.8 | 81% | 0.812 | 70% | 0.704 | S | S | * | * | trans | 71.8 | 103.7 | 166.9 | -169.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1238 | T | 33 | Very low | 32.2 | Very low | 117 Ų | 117 | 122 Ų | 122 | 72% | 0.718 | 70% | 0.703 | S | S | * | * | trans | -71.9 | 149.8 | 154.2 | 45.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1239 | P | 39.4 | Very low | 32 | Very low | 112 Ų | 112 | 123.3 Ų | 123.3 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | -131.6 | 147.7 | 107.6 | 36.1 | -28.7 | 0 | 0 | 0 | 111.3 | |||||
| 1240 | T | 33.1 | Very low | 32.1 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | cis | 66.6 | 73.5 | 22.8 | -43.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1241 | L | 34.3 | Very low | 32.2 | Very low | 157 Ų | 157 | 122.2 Ų | 122.2 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | trans | -132.8 | 118.9 | 143.4 | -74.4 | 170.4 | 0 | 0 | 0 | 105.3 | ||||
| 1242 | S | 27.6 | Very low | 32.2 | Very low | 85 Ų | 85 | 124.5 Ų | 124.5 | 59% | 0.594 | 73% | 0.729 | S | S | * | * | 86.4 | 152.9 | 50.6 | -64 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1243 | I | 35.2 | Very low | 32.3 | Very low | 152 Ų | 152 | 124.7 Ų | 124.7 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | trans | 75.8 | 131.6 | 177.7 | -52.8 | 159.3 | 0 | 0 | 0 | 112.5 | ||||
| 1244 | D | 33.1 | Very low | 32.3 | Very low | 133 Ų | 133 | 122 Ų | 122 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | cis | -154.3 | 137.1 | -18.3 | -114.5 | -17.9 | 0 | 0 | 0 | 107.3 | ||||
| 1245 | T | 32.5 | Very low | 32.6 | Very low | 111 Ų | 111 | 121.2 Ų | 121.2 | 68% | 0.681 | 73% | 0.727 | S | S | * | * | 81.4 | 117.6 | 83.2 | -65.1 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1246 | S | 29.3 | Very low | 32.6 | Very low | 82 Ų | 82 | 123.2 Ų | 123.2 | 57% | 0.573 | 73% | 0.729 | S | S | * | * | trans | 77.8 | 131.3 | 155.2 | -70.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1247 | Q | 29.9 | Very low | 32.9 | Very low | 155 Ų | 155 | 122.5 Ų | 122.5 | 72% | 0.724 | 73% | 0.725 | S | S | * | * | 50 | 143.4 | 117.4 | -48.9 | 169.4 | 40.8 | 0 | 0 | 119.1 | |||||
| 1248 | Q | 39.4 | Very low | 32.8 | Very low | 155 Ų | 155 | 124.3 Ų | 124.3 | 72% | 0.724 | 72% | 0.724 | S | S | * | * | cis | -139.8 | 155.2 | 22.9 | -93.6 | 112.6 | 47.1 | 0 | 0 | 110.7 | ||||
| 1249 | L | 27 | Very low | 32.9 | Very low | 140 Ų | 140 | 125 Ų | 125 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | 54.1 | 122.6 | 87 | -134.7 | 70.7 | 0 | 0 | 0 | 113.5 | T1251 | L1249-T1251 HydrophobicContact CD1-CG2 3.94Å; L1249-T1251 HydrophobicContact CG-CG2 4.08Å | |||
| 1250 | C | 31.8 | Very low | 32.6 | Very low | 111 Ų | 111 | 123.8 Ų | 123.8 | 75% | 0.75 | 72% | 0.717 | S | S | * | * | -158.7 | 135 | 66.2 | -68.7 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1251 | T | 30.8 | Very low | 32.7 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 66% | 0.656 | 72% | 0.721 | S | S | * | * | 77.7 | 115.2 | 54.2 | 64.8 | 0 | 0 | 0 | 0 | 116.8 | L1249 | L1249-T1251 HydrophobicContact CD1-CG2 3.94Å; L1249-T1251 HydrophobicContact CG-CG2 4.08Å | |||
| 1252 | L | 31.3 | Very low | 32.7 | Very low | 164 Ų | 164 | 123 Ų | 123 | 86% | 0.859 | 72% | 0.717 | S | S | * | * | trans | -166.7 | 122.5 | 148.4 | -90.6 | 172.1 | 0 | 0 | 0 | 106.4 | ||||
| 1253 | T | 32.5 | Very low | 33.1 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 71% | 0.712 | 73% | 0.725 | S | S | * | * | cis | -160.5 | 142.2 | -12.8 | -12.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1254 | S | 31.1 | Very low | 32.9 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | trans | 17 | 163.8 | 146.3 | -50.6 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1255 | P | 36.5 | Very low | 33 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 71% | 0.714 | 72% | 0.72 | S | S | * | * | cis | -136.4 | 165 | 8.6 | 41.7 | -25.1 | 0 | 0 | 0 | 117.9 | ||||
| 1256 | S | 32.8 | Very low | 33 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | 62.4 | 148.4 | 147.8 | -65.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1257 | S | 34.8 | Very low | 33.3 | Very low | 97 Ų | 97 | 132.2 Ų | 132.2 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | cis | -175.4 | 147.9 | -12 | 48.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1258 | H | 33.5 | Very low | 33.4 | Very low | 172 Ų | 172 | 131.6 Ų | 131.6 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | trans | 63.5 | 150 | 161.4 | -87.8 | -150.3 | 0 | 0 | 0 | 117.4 | ||||
| 1259 | L | 34.8 | Very low | 33.2 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 68% | 0.681 | 74% | 0.742 | S | S | * | * | cis | -147.8 | 131.6 | -16.2 | -91.5 | 171.1 | 0 | 0 | 0 | 104.5 | ||||
| 1260 | S | 32.8 | Very low | 33.3 | Very low | 88 Ų | 88 | 130.7 Ų | 130.7 | 62% | 0.615 | 74% | 0.744 | S | S | * | * | 84.6 | 135 | 78.1 | -62.1 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1261 | D | 35.4 | Very low | 33.5 | Very low | 141 Ų | 141 | 131.4 Ų | 131.4 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | trans | 64.2 | 115.1 | 151.8 | -50 | -23.4 | 0 | 0 | 0 | 118.7 | ||||
| 1262 | S | 34.6 | Very low | 33.7 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | 97.1 | 156.7 | 71.6 | 90 | 0 | 0 | 0 | 0 | 111 | |||||
| 1263 | E | 35 | Very low | 33.5 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | cis | -156.8 | 157.8 | -7.3 | -145.4 | -170.4 | -120.7 | 0 | 0 | 111.4 | ||||
| 1264 | N | 32 | Very low | 33.4 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 66% | 0.663 | 77% | 0.765 | S | S | * | * | trans | 73.6 | 165.9 | 141.9 | -123.5 | -42.7 | 0 | 0 | 0 | 123.7 | ||||
| 1265 | I | 35 | Very low | 33.4 | Very low | 141 Ų | 141 | 143 Ų | 143 | 72% | 0.723 | 76% | 0.764 | S | S | * | * | trans | 76.6 | 87.7 | 162.9 | -57.4 | 155.4 | 0 | 0 | 0 | 119.8 | ||||
| 1266 | H | 32.2 | Very low | 33 | Very low | 164 Ų | 164 | 145.8 Ų | 145.8 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | 32.9 | 111.6 | 116.2 | -93.9 | -116.6 | 0 | 0 | 0 | 120.8 | |||||
| 1267 | Q | 36.6 | Very low | 33 | Very low | 168 Ų | 168 | 145.8 Ų | 145.8 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | 177 | 131.8 | 103.6 | -98.2 | 162.6 | 100.4 | 0 | 0 | 117 | |||||
| 1268 | N | 30.6 | Very low | 33 | Very low | 142 Ų | 142 | 149.2 Ų | 149.2 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | 42.5 | 142.4 | 135.4 | -82.4 | -40.2 | 0 | 0 | 0 | 125.1 | ||||
| 1269 | L | 35.4 | Very low | 32.6 | Very low | 167 Ų | 167 | 146.6 Ų | 146.6 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | trans | 84.5 | 139 | 153.4 | -67.4 | 156.3 | 0 | 0 | 0 | 119.8 | ||||
| 1270 | S | 29.3 | Very low | 32.4 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 145.2 | -155.7 | -36.9 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1271 | P | 36 | Very low | 32.2 | Very low | 125 Ų | 125 | 153.3 Ų | 153.3 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 136.3 | 152.4 | -8.1 | 25.7 | 0 | 0 | 0 | 110.7 | ||
| 1272 | K | 36 | Very low | 32.1 | Very low | 209 Ų | 209 | 152.3 Ų | 152.3 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 141.3 | 171.9 | -71.8 | 175.8 | 179.7 | 171.7 | 0 | 110.6 | ||
| 1273 | R | 27.4 | Very low | 32.1 | Very low | 237 Ų | 237 | 155 Ų | 155 | 89% | 0.894 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 150.5 | 165.3 | -63 | -179.7 | 176.8 | -171.5 | -1.5 | 110.2 | ||
| 1274 | L | 29.7 | Very low | 31.9 | Very low | 153 Ų | 153 | 155.1 Ų | 155.1 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | -169.4 | 125.1 | 114.5 | -100.5 | 168.3 | 0 | 0 | 0 | 112.5 | |||||
| 1275 | N | 32.1 | Very low | 32.1 | Very low | 142 Ų | 142 | 155.8 Ų | 155.8 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | trans | 36.1 | 96.4 | 156 | -58.4 | -1.3 | 0 | 0 | 0 | 120.1 | ||||
| 1276 | M | 27.7 | Very low | 32 | Very low | 170 Ų | 170 | 153.1 Ų | 153.1 | 84% | 0.837 | 79% | 0.788 | S | S | * | * | -64.3 | 133.4 | 125.2 | -68.7 | -78.9 | 100.5 | 0 | 0 | 108 | |||||
| 1277 | D | 32.2 | Very low | 32.4 | Very low | 115 Ų | 115 | 150.6 Ų | 150.6 | 62% | 0.615 | 78% | 0.784 | S | S | * | * | 177.4 | 138.5 | 86.5 | -123.7 | -35.3 | 0 | 0 | 0 | 115 | |||||
| 1278 | K | 33.9 | Very low | 32.1 | Very low | 169 Ų | 169 | 151.2 Ų | 151.2 | 74% | 0.735 | 78% | 0.784 | S | S | * | * | trans | 21.4 | 112.3 | 157.2 | -67 | 165.6 | -165.7 | 83.3 | 0 | 120.1 | ||||
| 1279 | S | 25.6 | Very low | 32.1 | Very low | 116 Ų | 116 | 153.5 Ų | 153.5 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -50 | 133.4 | 155.2 | 51.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1280 | N | 30.3 | Very low | 32 | Very low | 162 Ų | 162 | 148.2 Ų | 148.2 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | trans | -151.5 | 144.2 | 155.1 | -103.5 | -51.5 | 0 | 0 | 0 | 110.2 | ||||
| 1281 | Q | 29.8 | Very low | 32.2 | Very low | 198 Ų | 198 | 147.3 Ų | 147.3 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | trans | -85.7 | 137.3 | -172.6 | -66.7 | 162.8 | -21.1 | 0 | 0 | 111.5 | ||||
| 1282 | S | 32.6 | Very low | 32.2 | Very low | 119 Ų | 119 | 149 Ų | 149 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | -106.5 | 117.1 | 171.8 | 49.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1283 | L | 33.9 | Very low | 32.5 | Very low | 163 Ų | 163 | 145 Ų | 145 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | -127.2 | 94.4 | 174.6 | -169 | 74 | 0 | 0 | 0 | 109 | D1285 | L1283-D1285 PolarHBondContact O-N 2.88Š| ||
| 1284 | E | 31.5 | Very low | 33.4 | Very low | 163 Ų | 163 | 138 Ų | 138 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | trans | -82.4 | 95.9 | -179.8 | -71.6 | -161.4 | 153.1 | 0 | 0 | 112.2 | ||||
| 1285 | D | 37.5 | Very low | 33.7 | Very low | 139 Ų | 139 | 134.4 Ų | 134.4 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | trans | -105.3 | 129 | 175.5 | -151 | -9 | 0 | 0 | 0 | 113 | L1283 | L1283-D1285 PolarHBondContact O-N 2.88Š| ||
| 1286 | N | 32.3 | Very low | 34.1 | Very low | 84 Ų | 84 | 134.2 Ų | 134.2 | 45% | 0.449 | 72% | 0.723 | S | S | . | * | trans | -110.4 | 80.1 | -159.6 | -87.4 | -91.6 | 0 | 0 | 0 | 112.8 | Y353 | Y353-N1286 HydrophobicContact CD1-CB 4.17Å; Y353-N1286 HydrophobicContact CE1-CB 3.91Å; Y353-N1286 WeakPolarHBondContact CE1-OD1 3.43Å; Y353-N1286 WeakPolarHBondContact CE2-OD1 3.48Å; Y353-N1286 VanDerWaalsContact CZ-CG 3.42Å; Y353-N1286 VanDerWaalsContact CZ-OD1 3.23Å; Y353-N1286 PolarHBondContact OH-ND2 3.32Å | ||
| 1287 | V | 40.3 | Very low | 34.5 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 67% | 0.673 | 72% | 0.718 | S | S | * | * | trans | -104.2 | 103.6 | -173.9 | -173.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1288 | F | 30.4 | Very low | 34.6 | Very low | 181 Ų | 181 | 136.3 Ų | 136.3 | 79% | 0.794 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 123.1 | 174.8 | 178.7 | -112.9 | 0 | 0 | 0 | 111.7 | ||
| 1289 | F | 29.8 | Very low | 34.5 | Very low | 190 Ų | 190 | 135 Ų | 135 | 83% | 0.833 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.7 | 64.8 | -173.6 | -70.4 | -76.4 | 0 | 0 | 0 | 116 | ||
| 1290 | G | 33.5 | Very low | 34.8 | Very low | 57 Ų | 57 | 138.8 Ų | 138.8 | 59% | 0.588 | 73% | 0.732 | S | S | * | * | trans | -122.4 | 157.9 | 162 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1291 | A | 33.6 | Very low | 34.7 | Very low | 91 Ų | 91 | 142.4 Ų | 142.4 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | trans | -108.6 | 58.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F1293 | A1291-F1293 PolarHBondContact O-N 3.29Å; A1291-F1293 VanDerWaalsContact O-N 3.13Å | ||
| 1292 | N | 36.4 | Very low | 34.6 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 86% | 0.861 | 73% | 0.731 | S | S | * | * | trans | -82.2 | 90.9 | 178 | -65.6 | 11 | 0 | 0 | 0 | 110.2 | ||||
| 1293 | F | 42.7 | Very low | 34.6 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 54% | 0.544 | 72% | 0.724 | S | S | . | * | trans | -101.5 | 137.1 | 157 | -74.1 | -71.1 | 0 | 0 | 0 | 108.3 | A1291 | A1291-F1293 PolarHBondContact O-N 3.29Å; A1291-F1293 VanDerWaalsContact O-N 3.13Å | ||
| 1294 | P | 46 | Very low | 34.4 | Very low | 91 Ų | 91 | 138.7 Ų | 138.7 | 59% | 0.591 | 72% | 0.721 | S | S | * | * | trans | -60.1 | 144.4 | 174.9 | 25.8 | -33.8 | 0 | 0 | 0 | 110.6 | I1296 | P1294-I1296 PolarHBondContact O-N 3.33Å; P1294-I1296 VanDerWaalsContact O-N 3.13Å | ||
| 1295 | N | 36.8 | Very low | 34.4 | Very low | 76 Ų | 76 | 136 Ų | 136 | 41% | 0.406 | 72% | 0.72 | S | S | . | * | trans | -78 | 97.6 | -172.3 | -166.9 | 14.9 | 0 | 0 | 0 | 110.3 | K1297 | N1295-K1297 PolarHBondContact O-N 3.32Š| ||
| 1296 | I | 38.7 | Very low | 34.2 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 66.9 | 176.7 | -47.9 | -179.9 | 0 | 0 | 0 | 109.6 | P1294 | P1294-I1296 PolarHBondContact O-N 3.33Å; P1294-I1296 VanDerWaalsContact O-N 3.13Å |
| 1297 | K | 36.9 | Very low | 34.1 | Very low | 169 Ų | 169 | 138.3 Ų | 138.3 | 74% | 0.735 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.7 | -7.7 | 176.2 | -79.5 | -169.9 | 168.1 | -169.8 | 0 | 113 | N1295 | N1295-K1297 PolarHBondContact O-N 3.32Š|
| 1298 | E | 33.5 | Very low | 33.7 | Very low | 159 Ų | 159 | 137.5 Ų | 137.5 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | -113.9 | 40.9 | -163.6 | -150.4 | 144.6 | -126.4 | 0 | 0 | 111.6 | ||||
| 1299 | V | 32.3 | Very low | 34 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 86% | 0.861 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -138.5 | 61.2 | 171.5 | -169.1 | 0 | 0 | 0 | 0 | 109.4 | ||
| 1300 | K | 32.3 | Very low | 34 | Very low | 195 Ų | 195 | 132.3 Ų | 132.3 | 85% | 0.848 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -172.8 | 133.3 | 159.3 | -109.5 | 177 | -179.9 | -172.7 | 0 | 107.8 | ||
| 1301 | R | 28 | Very low | 33.7 | Very low | 238 Ų | 238 | 140.2 Ų | 140.2 | 90% | 0.898 | 74% | 0.738 | S | S | * | * | trans | 77.8 | 74.8 | -168.3 | -50.1 | 176.4 | -172.8 | 160.9 | -2.6 | 115.5 | ||||
| 1302 | T | 28 | Very low | 33.6 | Very low | 142 Ų | 142 | 143 Ų | 143 | 87% | 0.871 | 74% | 0.739 | S | S | * | * | trans | -146 | 55 | 153.8 | 52.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1303 | T | 31.5 | Very low | 33.2 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 68% | 0.681 | 73% | 0.732 | S | S | * | * | trans | -161.7 | 122.1 | 178.1 | 46.6 | 0 | 0 | 0 | 0 | 105 | ||||
| 1304 | D | 30.5 | Very low | 32.7 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | cis | -144.5 | -161.6 | 1.6 | -65.5 | -58.7 | 0 | 0 | 0 | 110.2 | ||||
| 1305 | S | 32.4 | Very low | 31.9 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | trans | 76.1 | 118 | -168.1 | -155.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1306 | L | 31.8 | Very low | 31.5 | Very low | 147 Ų | 147 | 143.1 Ų | 143.1 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | S | Bend | cis | -138.1 | 152.8 | 32.9 | -83 | 168.6 | 0 | 0 | 0 | 111.3 | ||
| 1307 | N | 31.9 | Very low | 31 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 67% | 0.668 | 76% | 0.762 | S | S | * | * | cis | -162.8 | 142.1 | -7.5 | -159.7 | 7.9 | 0 | 0 | 0 | 113.1 | ||||
| 1308 | S | 30.9 | Very low | 30.6 | Very low | 94 Ų | 94 | 139.2 Ų | 139.2 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | trans | 64.2 | 169.4 | 147.8 | -65.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1309 | P | 36.3 | Very low | 30.3 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | -136.2 | 179.6 | -80.8 | 38.1 | -18.7 | 0 | 0 | 0 | 113.7 | |||||
| 1310 | L | 29.4 | Very low | 30 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | trans | -172.1 | 128.7 | 137.5 | -100.7 | 163.9 | 0 | 0 | 0 | 110.4 | ||||
| 1311 | R | 27.5 | Very low | 29.8 | Very low | 222 Ų | 222 | 130 Ų | 130 | 84% | 0.838 | 73% | 0.733 | S | S | * | * | 13.9 | 142.4 | 126.3 | -57.9 | -176.4 | -179.4 | -175.8 | 0.8 | 117.1 | |||||
| 1312 | I | 31.4 | Very low | 29.7 | Very low | 150 Ų | 150 | 127.1 Ų | 127.1 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | cis | -136.2 | 156.8 | 24.3 | -69.4 | 177.4 | 0 | 0 | 0 | 111.8 | ||||
| 1313 | S | 28.3 | Very low | 29.7 | Very low | 102 Ų | 102 | 128 Ų | 128 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | trans | -19 | 159.4 | 156.5 | -35.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1314 | S | 31.8 | Very low | 29.5 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | cis | -166.2 | 162.4 | 10.4 | 10.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1315 | S | 30 | Very low | 29.4 | Very low | 98 Ų | 98 | 128.7 Ų | 128.7 | 69% | 0.685 | 72% | 0.72 | S | S | * | * | trans | 51.5 | 119.8 | 154.7 | 53.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1316 | N | 27.9 | Very low | 29.2 | Very low | 154 Ų | 154 | 130.5 Ų | 130.5 | 82% | 0.824 | 72% | 0.721 | S | S | * | * | 59.3 | 135.9 | 69.1 | -61.2 | -2 | 0 | 0 | 0 | 112.5 | |||||
| 1317 | S | 27.9 | Very low | 29.2 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 69% | 0.685 | 72% | 0.716 | S | S | * | * | cis | -149.4 | 153.5 | 5.6 | 3.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1318 | T | 28.8 | Very low | 29.4 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | 48.1 | 135 | 85.1 | -1.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1319 | S | 27.9 | Very low | 29.3 | Very low | 69 Ų | 69 | 133.4 Ų | 133.4 | 48% | 0.483 | 73% | 0.73 | S | S | . | * | cis | -164.1 | 178.9 | 25.5 | -165.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1320 | Y | 25.8 | Very low | 29.1 | Very low | 171 Ų | 171 | 131.4 Ų | 131.4 | 67% | 0.671 | 72% | 0.723 | S | S | * | * | trans | 68.4 | 132.5 | 162.9 | -44.3 | -60.6 | 0 | 0 | 0 | 117.7 | D557 | D557-Y1320 HydrophobicContact CB-CD1 3.84Å; D557-Y1320 HydrophobicContact CB-CE1 3.41Å; D557-Y1320 VanDerWaalsContact CB-CE1 3.41Å; D557-Y1320 WeakPolarHBondContact OD2-CD1 3.31Å | ||
| 1321 | G | 27 | Very low | 29.4 | Very low | 62 Ų | 62 | 130.8 Ų | 130.8 | 64% | 0.639 | 73% | 0.728 | S | S | * | * | cis | 177.8 | -170.4 | -5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1322 | R | 26.6 | Very low | 29.5 | Very low | 179 Ų | 179 | 129.3 Ų | 129.3 | 68% | 0.675 | 73% | 0.728 | S | S | * | * | trans | 71 | 156.4 | 176.7 | -61.6 | -169 | 177 | -143.3 | -11.6 | 119.1 | V554 | V554-R1322 PolarHBondContact O-NH2 3.22Š| ||
| 1323 | L | 27.6 | Very low | 29.6 | Very low | 160 Ų | 160 | 130 Ų | 130 | 84% | 0.838 | 73% | 0.732 | S | S | * | * | trans | 77.8 | 110.3 | 158.9 | -108 | 69.4 | 0 | 0 | 0 | 120.4 | ||||
| 1324 | S | 28.6 | Very low | 29.6 | Very low | 96 Ų | 96 | 132.4 Ų | 132.4 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | trans | 78.9 | 124.5 | 136.4 | -168 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1325 | K | 28.6 | Very low | 29.4 | Very low | 179 Ų | 179 | 134.5 Ų | 134.5 | 78% | 0.778 | 73% | 0.733 | S | S | * | * | trans | 7.2 | 113.6 | 135.2 | -49.5 | 167.7 | -176.4 | 173 | 0 | 115.2 | ||||
| 1326 | N | 27.9 | Very low | 29.5 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | 166.1 | 147.4 | 108.9 | -82.4 | -39.2 | 0 | 0 | 0 | 112.7 | |||||
| 1327 | H | 31.8 | Very low | 29.5 | Very low | 147 Ų | 147 | 137.9 Ų | 137.9 | 68% | 0.681 | 73% | 0.732 | S | S | * | * | trans | 32.7 | 124.8 | 148.8 | -89 | -80.1 | 0 | 0 | 0 | 121.5 | I1329 | H1327-I1329 HydrophobicContact CB-CG1 4.01Š| ||
| 1328 | P | 35 | Very low | 29.7 | Very low | 129 Ų | 129 | 139.5 Ų | 139.5 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | -61.5 | 129.3 | 128.8 | 29.8 | -32.5 | 0 | 0 | 0 | 108.9 | |||
| 1329 | I | 30 | Very low | 29.7 | Very low | 151 Ų | 151 | 139.9 Ų | 139.9 | 77% | 0.774 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -94 | 140.3 | -163.8 | -73.1 | 169.5 | 0 | 0 | 0 | 111.7 | H1327 | H1327-I1329 HydrophobicContact CB-CG1 4.01Š|
| 1330 | A | 30.8 | Very low | 29.8 | Very low | 71 Ų | 71 | 143.4 Ų | 143.4 | 59% | 0.587 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 153.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K1332 | A1330-K1332 PolarHBondContact O-N 3.01Š|
| 1331 | P | 35.4 | Very low | 29.9 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 89% | 0.89 | 75% | 0.747 | S | S | * | * | trans | -64.6 | 100.7 | 173.9 | 27.1 | -34.4 | 0 | 0 | 0 | 111.6 | ||||
| 1332 | K | 31.3 | Very low | 30.1 | Very low | 192 Ų | 192 | 144.5 Ų | 144.5 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | trans | -88.4 | 172 | 153.5 | -77.5 | -173.6 | 172.9 | -176.3 | 0 | 109.4 | A1330 | A1330-K1332 PolarHBondContact O-N 3.01Š| ||
| 1333 | I | 31.9 | Very low | 30.2 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | 107.6 | 111.2 | -177.4 | -67.8 | 165.7 | 0 | 0 | 0 | 109.4 | ||||
| 1334 | I | 30.2 | Very low | 30.4 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 77% | 0.774 | 76% | 0.758 | S | S | * | * | cis | -135.2 | 163 | 4.5 | -52.8 | -176.1 | 0 | 0 | 0 | 111.6 | ||||
| 1335 | H | 27.3 | Very low | 30.6 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 68% | 0.676 | 76% | 0.759 | S | S | * | * | trans | -77.8 | 168 | 173.5 | -117.2 | -130.6 | 0 | 0 | 0 | 114.8 | ||||
| 1336 | H | 32.3 | Very low | 30.7 | Very low | 173 Ų | 173 | 139.5 Ų | 139.5 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | trans | 161.2 | 86 | 136.9 | -86.4 | -63.4 | 0 | 0 | 0 | 107.5 | ||||
| 1337 | Q | 26.7 | Very low | 31.2 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 70% | 0.696 | 74% | 0.741 | S | S | * | * | 75.8 | 87.7 | 66.5 | -157.9 | 179.4 | 15.7 | 0 | 0 | 114.7 | |||||
| 1338 | T | 32.7 | Very low | 31.1 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 82% | 0.816 | 74% | 0.742 | S | S | * | * | trans | -159.1 | 121 | 140.9 | 46.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1339 | N | 28.4 | Very low | 31.1 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | trans | 24.6 | 134.1 | 133 | -77.4 | 43.3 | 0 | 0 | 0 | 121.1 | ||||
| 1340 | E | 29.8 | Very low | 31.4 | Very low | 142 Ų | 142 | 134.8 Ų | 134.8 | 66% | 0.664 | 73% | 0.732 | S | S | * | * | cis | -156.8 | -179.6 | -6.4 | -58.4 | -163.8 | 158 | 0 | 0 | 112.1 | ||||
| 1341 | N | 29.1 | Very low | 31.2 | Very low | 133 Ų | 133 | 134.9 Ų | 134.9 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | trans | 70.1 | 76.5 | 147.5 | -62 | -37.1 | 0 | 0 | 0 | 121.1 | ||||
| 1342 | S | 30.5 | Very low | 31 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 87% | 0.867 | 72% | 0.722 | S | S | * | * | -169.9 | 152.7 | 129.8 | -85.5 | 0 | 0 | 0 | 0 | 112.8 | L1344 | S1342-L1344 PolarHBondContact O-N 2.64Š| |||
| 1343 | S | 28.2 | Very low | 31.2 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | trans | -84.7 | 102.7 | -166.9 | 42.5 | 0 | 0 | 0 | 0 | 115 | I1345 | S1343-I1345 PolarHBondContact O-N 2.82Š| ||
| 1344 | L | 30.9 | Very low | 31.2 | Very low | 136 Ų | 136 | 130 Ų | 130 | 71% | 0.712 | 71% | 0.712 | S | S | * | * | trans | -82 | 108.6 | 168.9 | -71.8 | 176.1 | 0 | 0 | 0 | 111.5 | S1342 T1346 | S1342-L1344 PolarHBondContact O-N 2.64Å; L1344-T1346 PolarHBondContact O-N 2.93Å | ||
| 1345 | I | 34 | Very low | 31.4 | Very low | 139 Ų | 139 | 125.5 Ų | 125.5 | 71% | 0.713 | 70% | 0.703 | S | S | * | * | trans | -72.6 | 113.2 | 176.5 | -60.6 | 175.4 | 0 | 0 | 0 | 110.4 | S1343 L1347 | S1343-I1345 PolarHBondContact O-N 2.82Å; I1345-L1347 PolarHBondContact O-N 3.19Å; I1345-L1347 VanDerWaalsContact O-N 3.16Å | ||
| 1346 | T | 31.2 | Very low | 32.2 | Very low | 119 Ų | 119 | 124.3 Ų | 124.3 | 73% | 0.73 | 70% | 0.702 | S | S | * | * | trans | -73 | 103 | -175.6 | -23.1 | 0 | 0 | 0 | 0 | 112.2 | L1344 S1348 | L1344-T1346 PolarHBondContact O-N 2.93Å; T1346-S1348 VanDerWaalsContact CG2-OG 3.31Å; T1346-S1348 WeakPolarHBondContact CG2-OG 3.37Å; T1346-S1348 PolarHBondContact O-N 3.02Å | ||
| 1347 | L | 36.6 | Very low | 33.1 | Very low | 83 Ų | 83 | 122.2 Ų | 122.2 | 44% | 0.435 | 69% | 0.69 | S | S | . | * | trans | -81.3 | 51.4 | -178.3 | -104.3 | 165.5 | 0 | 0 | 0 | 113.3 | I1345 H1349 L1350 | I1345-L1347 PolarHBondContact O-N 3.19Å; I1345-L1347 VanDerWaalsContact O-N 3.16Å; L1347-H1349 PolarHBondContact O-N 2.88Å; L1347-L1350 HydrophobicContact CD2-CD1 4.26Å | ||
| 1348 | S | 31 | Very low | 34.4 | Very low | 98 Ų | 98 | 119.8 Ų | 119.8 | 69% | 0.685 | 69% | 0.69 | S | S | * | * | trans | -78.7 | -12.3 | -169.8 | -52.4 | 0 | 0 | 0 | 0 | 115.9 | T1346 | T1346-S1348 VanDerWaalsContact CG2-OG 3.31Å; T1346-S1348 WeakPolarHBondContact CG2-OG 3.37Å; T1346-S1348 PolarHBondContact O-N 3.02Å | ||
| 1349 | H | 33.8 | Very low | 35.5 | Very low | 168 Ų | 168 | 122 Ų | 122 | 78% | 0.778 | 68% | 0.683 | S | S | * | * | trans | -120 | 59.9 | -162.2 | -156.9 | -67.3 | 0 | 0 | 0 | 114.1 | L1347 | L1347-H1349 PolarHBondContact O-N 2.88Š| ||
| 1350 | L | 37 | Very low | 38 | Very low | 122 Ų | 122 | 118.1 Ų | 118.1 | 64% | 0.639 | 67% | 0.667 | S | S | * | * | trans | -135.7 | 41.5 | 174.6 | -78.8 | 175.6 | 0 | 0 | 0 | 113.2 | L1347 | L1347-L1350 HydrophobicContact CD2-CD1 4.26Š| ||
| 1351 | S | 27.8 | Very low | 40.6 | Very low | 73 Ų | 73 | 113.5 Ų | 113.5 | 51% | 0.51 | 65% | 0.648 | S | S | . | * | trans | -77.2 | -172 | 155 | 57.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1352 | E | 31 | Very low | 43.4 | Very low | 162 Ų | 162 | 110.8 Ų | 110.8 | 76% | 0.757 | 63% | 0.633 | S | S | * | * | trans | 44.5 | 81.2 | 176.5 | -67 | 71.8 | -95.4 | 0 | 0 | 118.5 | ||||
| 1353 | A | 34.7 | Very low | 46.1 | Very low | 83 Ų | 83 | 110.9 Ų | 110.9 | 69% | 0.686 | 62% | 0.619 | S | S | * | * | trans | -161.2 | 79.6 | 152.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G1355 | A1353-G1355 PolarHBondContact O-N 3.03Š| ||
| 1354 | N | 31.5 | Very low | 49.1 | Very low | 147 Ų | 147 | 107 Ų | 107 | 79% | 0.786 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 83.8 | -179.4 | -79.5 | -39.9 | 0 | 0 | 0 | 113 | K1357 | N1354-K1357 WeakPolarHBondContact OD1-CE 3.3Å; N1354-K1357 PolarHBondContact OD1-NZ 3.01Å |
| 1355 | G | 35.7 | Very low | 52.2 | Low | 56 Ų | 56 | 101.6 Ų | 101.6 | 58% | 0.577 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -175.2 | -26.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | A1353 | A1353-G1355 PolarHBondContact O-N 3.03Š|
| 1356 | N | 43.8 | Very low | 55.1 | Low | 121 Ų | 121 | 99.1 Ų | 99.1 | 65% | 0.647 | 54% | 0.541 | S | S | * | . | trans | -125 | 24.8 | -170.9 | -77.3 | -68.2 | 0 | 0 | 0 | 114.5 | S1358 R1359 S1360 | N1356-S1358 VanDerWaalsContact C-N 3.31Å; N1356-S1358 PolarHBondContact O-N 3.32Å; N1356-R1359 PolarHBondContact O-N 2.8Å; N1356-S1360 PolarHBondContact O-N 3.33Å; N1356-S1360 VanDerWaalsContact O-N 3.16Å | ||
| 1357 | K | 49.6 | Very low | 58.1 | Low | 129 Ų | 129 | 99.1 Ų | 99.1 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -51.5 | -35.6 | -163.1 | -58.9 | -168.4 | 180 | -172 | 0 | 115.8 | N1354 S1360 V1361 | N1354-K1357 WeakPolarHBondContact OD1-CE 3.3Å; N1354-K1357 PolarHBondContact OD1-NZ 3.01Å; K1357-S1360 WeakPolarHBondContact CA-OG 3.44Å; K1357-S1360 PolarHBondContact O-OG 3.09Å; K1357-S1360 VanDerWaalsContact O-OG 3.08Å; K1357-V1361 WeakPolarHBondContact O-CB 3.4Å; K1357-V1361 VanDerWaalsContact O-CG2 3.27Å; K1357-V1361 WeakPolarHBondContact O-CG2 3.48Å; K1357-V1361 PolarHBondContact O-N 3.29Å |
| 1358 | S | 55.1 | Low | 61 | Low | 98 Ų | 98 | 95.4 Ų | 95.4 | 69% | 0.685 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -74.1 | -30.4 | 177.8 | 58.8 | 0 | 0 | 0 | 0 | 114 | N1356 L1362 | N1356-S1358 VanDerWaalsContact C-N 3.31Å; N1356-S1358 PolarHBondContact O-N 3.32Å; S1358-L1362 PolarHBondContact O-N 3.43Å |
| 1359 | R | 55.9 | Low | 64.1 | Low | 180 Ų | 180 | 90.8 Ų | 90.8 | 68% | 0.679 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -81.7 | -35 | 178.6 | -171.9 | 171.6 | 177.3 | 152.6 | -0.1 | 111.8 | N1356 H1363 | N1356-R1359 PolarHBondContact O-N 2.8Å; R1359-H1363 PolarHBondContact O-N 3.23Å |
| 1360 | S | 80.4 | Confident | 67.1 | Low | 53 Ų | 53 | 86.8 Ų | 86.8 | 37% | 0.371 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.1 | -50 | 172.9 | 55.3 | 0 | 0 | 0 | 0 | 111.3 | N1356 K1357 L1362 H1363 I1364 | N1356-S1360 PolarHBondContact O-N 3.33Å; N1356-S1360 VanDerWaalsContact O-N 3.16Å; K1357-S1360 WeakPolarHBondContact CA-OG 3.44Å; K1357-S1360 PolarHBondContact O-OG 3.09Å; K1357-S1360 VanDerWaalsContact O-OG 3.08Å; S1360-L1362 VanDerWaalsContact C-N 3.29Å; S1360-L1362 PolarHBondContact O-N 3.15Å; S1360-H1363 CarbonylContact O-C 3.56Å; S1360-H1363 WeakPolarHBondContact O-CA 3.18Å; S1360-H1363 WeakPolarHBondContact O-CB 3.49Å; S1360-H1363 PolarHBondContact O-N 2.93Å; S1360-I1364 WeakPolarHBondContact O-CG1 3.48Å; S1360-I1364 PolarHBondContact O-N 3.21Å |
| 1361 | V | 85.4 | Confident | 69.9 | Low | 45 Ų | 45 | 82.9 Ų | 82.9 | 27% | 0.273 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -56.9 | -39.1 | 178.8 | 168.7 | 0 | 0 | 0 | 0 | 112.6 | K1357 H1363 R1365 | K1357-V1361 WeakPolarHBondContact O-CB 3.4Å; K1357-V1361 VanDerWaalsContact O-CG2 3.27Å; K1357-V1361 WeakPolarHBondContact O-CG2 3.48Å; K1357-V1361 PolarHBondContact O-N 3.29Å; V1361-H1363 VanDerWaalsContact C-N 3.3Å; V1361-H1363 PolarHBondContact O-N 3.42Å; V1361-R1365 HydrophobicContact CG1-CG 4.39Å; V1361-R1365 VanDerWaalsContact O-CB 3.26Å; V1361-R1365 WeakPolarHBondContact O-CB 3.32Å; V1361-R1365 WeakPolarHBondContact O-CG 3.32Å; V1361-R1365 PolarHBondContact O-N 3.03Å |
| 1362 | L | 87.1 | Confident | 73.1 | Confident | 76 Ų | 76 | 79.4 Ų | 79.4 | 40% | 0.398 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -71.2 | -20.4 | 175.5 | -76 | 177.1 | 0 | 0 | 0 | 114.5 | S1358 S1360 R1366 | S1358-L1362 PolarHBondContact O-N 3.43Å; S1360-L1362 VanDerWaalsContact C-N 3.29Å; S1360-L1362 PolarHBondContact O-N 3.15Å; L1362-R1366 WeakPolarHBondContact O-CG 3.47Å |
| 1363 | H | 86.6 | Confident | 76.3 | Confident | 125 Ų | 125 | 71.9 Ų | 71.9 | 58% | 0.579 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -85.3 | -44.7 | 173 | -179.8 | 81.8 | 0 | 0 | 0 | 111.2 | R1359 S1360 V1361 R1365 R1366 K1367 | R1359-H1363 PolarHBondContact O-N 3.23Å; S1360-H1363 CarbonylContact O-C 3.56Å; S1360-H1363 WeakPolarHBondContact O-CA 3.18Å; S1360-H1363 WeakPolarHBondContact O-CB 3.49Å; S1360-H1363 PolarHBondContact O-N 2.93Å; V1361-H1363 VanDerWaalsContact C-N 3.3Å; V1361-H1363 PolarHBondContact O-N 3.42Å; H1363-R1365 PolarHBondContact O-N 3.29Å; H1363-R1366 WeakPolarHBondContact O-CA 3.38Å; H1363-R1366 WeakPolarHBondContact O-CB 3.49Å; H1363-R1366 PolarHBondContact O-N 3.44Å; H1363-K1367 PolarHBondContact O-N 2.87Å |
| 1364 | I | 91.9 | Very high | 79.1 | Confident | 35 Ų | 35 | 75.3 Ų | 75.3 | 18% | 0.179 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.6 | -47.1 | 174.6 | -61.7 | 160.9 | 0 | 0 | 0 | 110.4 | S1360 R1366 K1367 L1368 Y1395 | S1360-I1364 WeakPolarHBondContact O-CG1 3.48Å; S1360-I1364 PolarHBondContact O-N 3.21Å; I1364-R1366 PolarHBondContact O-N 2.83Å; I1364-K1367 PolarHBondContact O-N 3.36Å; I1364-K1367 VanDerWaalsContact O-N 3.08Å; I1364-L1368 HydrophobicContact CG2-CD1 4.01Å; I1364-L1368 HydrophobicContact CG2-CG 4.29Å; I1364-L1368 WeakPolarHBondContact O-CG 3.16Å; I1364-L1368 PolarHBondContact O-N 2.91Å; I1364-Y1395 HydrophobicContact CB-CE1 4.12Å; I1364-Y1395 HydrophobicContact CD1-CE1 4.12Å; I1364-Y1395 HydrophobicContact CG2-CD1 3.93Å; I1364-Y1395 HydrophobicContact CG2-CE1 3.53Å; I1364-Y1395 HydrophobicContact CG2-CE2 4.17Å; I1364-Y1395 HydrophobicContact CG2-CG 4.41Å |
| 1365 | R | 95.3 | Very high | 82.1 | Confident | 21 Ų | 21 | 72.7 Ų | 72.7 | 8% | 0.079 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.7 | -13.2 | 171.6 | -74.7 | 171.8 | 166.6 | 166.6 | -4 | 114.6 | V1361 H1363 Y1395 F1396 K1405 | V1361-R1365 HydrophobicContact CG1-CG 4.39Å; V1361-R1365 VanDerWaalsContact O-CB 3.26Å; V1361-R1365 WeakPolarHBondContact O-CB 3.32Å; V1361-R1365 WeakPolarHBondContact O-CG 3.32Å; V1361-R1365 PolarHBondContact O-N 3.03Å; H1363-R1365 PolarHBondContact O-N 3.29Å; R1365-Y1395 PolarHBondContact NE-O 3.17Å; R1365-Y1395 PolarHBondContact NH2-O 2.69Å; R1365-F1396 HydrophobicContact CB-CE1 4.19Å; R1365-F1396 HydrophobicContact CB-CZ 3.95Å; R1365-F1396 HydrophobicContact CG-CE1 4Å; R1365-F1396 HydrophobicContact CG-CZ 3.92Å; R1365-K1405 HydrophobicContact CB-CD 4.49Å; R1365-K1405 WeakPolarHBondContact O-CE 3.47Å |
| 1366 | R | 95.6 | Very high | 84.9 | Confident | 88 Ų | 88 | 74.6 Ų | 74.6 | 33% | 0.332 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -92 | -44.9 | 169.9 | -73.1 | 174 | -178.5 | 152.5 | 9.5 | 111.2 | L1362 H1363 I1364 L1368 V1369 L1370 E1408 I1409 R1412 | L1362-R1366 WeakPolarHBondContact O-CG 3.47Å; H1363-R1366 WeakPolarHBondContact O-CA 3.38Å; H1363-R1366 WeakPolarHBondContact O-CB 3.49Å; H1363-R1366 PolarHBondContact O-N 3.44Å; I1364-R1366 PolarHBondContact O-N 2.83Å; R1366-L1368 VanDerWaalsContact C-N 3.34Å; R1366-L1368 PolarHBondContact O-N 3.21Å; R1366-V1369 PolarHBondContact O-N 2.96Å; R1366-L1370 WeakPolarHBondContact O-CG 3.5Å; R1366-L1370 PolarHBondContact O-N 3.07Å; R1366-E1408 IonicContact NE-OE1 2.7Å; R1366-E1408 IonicContact NH2-OE1 3.1Å; R1366-I1409 HydrophobicContact CB-CD1 4.21Å; R1366-I1409 HydrophobicContact CG-CD1 3.93Å; R1366-I1409 HydrophobicContact CG-CG1 4.38Å; R1366-R1412 VanDerWaalsContact NH2-NH1 3.13Å |
| 1367 | K | 95.1 | Very high | 87.2 | Confident | 119 Ų | 119 | 70.4 Ų | 70.4 | 52% | 0.517 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -55.3 | -49 | 175.6 | -171.7 | 174 | -179 | 177 | 0 | 111 | H1363 I1364 V1369 L1370 Q1371 | H1363-K1367 PolarHBondContact O-N 2.87Å; I1364-K1367 PolarHBondContact O-N 3.36Å; I1364-K1367 VanDerWaalsContact O-N 3.08Å; K1367-V1369 PolarHBondContact O-N 2.94Å; K1367-L1370 PolarHBondContact O-N 3.26Å; K1367-L1370 VanDerWaalsContact O-N 3.15Å; K1367-Q1371 PolarHBondContact O-N 3.07Å |
| 1368 | L | 97 | Very high | 89.3 | Confident | 5 Ų | 5 | 66.9 Ų | 66.9 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.6 | -40.7 | 178.5 | -68 | 175.3 | 0 | 0 | 0 | 113.5 | I1364 R1366 Q1371 L1372 F1388 Y1392 Y1395 F1396 | I1364-L1368 HydrophobicContact CG2-CD1 4.01Å; I1364-L1368 HydrophobicContact CG2-CG 4.29Å; I1364-L1368 WeakPolarHBondContact O-CG 3.16Å; I1364-L1368 PolarHBondContact O-N 2.91Å; R1366-L1368 VanDerWaalsContact C-N 3.34Å; R1366-L1368 PolarHBondContact O-N 3.21Å; L1368-Q1371 PolarHBondContact O-N 3.38Å; L1368-L1372 WeakPolarHBondContact O-CB 3.39Å; L1368-L1372 PolarHBondContact O-N 2.99Å; L1368-F1388 HydrophobicContact CB-CE1 4.19Å; L1368-F1388 HydrophobicContact CB-CZ 4.03Å; L1368-F1388 WeakPolarHBondContact O-CZ 3.48Å; L1368-Y1392 HydrophobicContact CD1-CD1 3.85Å; L1368-Y1392 HydrophobicContact CD1-CE1 4.42Å; L1368-Y1392 HydrophobicContact CD1-CG 4.1Å; L1368-Y1392 HydrophobicContact CD2-CD1 3.77Å; L1368-Y1392 HydrophobicContact CD2-CD2 4.49Å; L1368-Y1392 HydrophobicContact CD2-CE1 3.49Å; L1368-Y1392 VanDerWaalsContact CD2-CE1 3.49Å; L1368-Y1392 HydrophobicContact CD2-CE2 4.27Å; L1368-Y1392 HydrophobicContact CD2-CG 4.27Å; L1368-Y1392 HydrophobicContact CG-CD1 4.47Å; L1368-Y1395 HydrophobicContact CD1-CD2 3.63Å; L1368-Y1395 HydrophobicContact CD1-CE2 4.29Å; L1368-Y1395 HydrophobicContact CD1-CG 3.84Å; L1368-F1396 HydrophobicContact CB-CE2 4.14Å; L1368-F1396 HydrophobicContact CD1-CE2 4Å |
| 1369 | V | 96.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -78.9 | -24.1 | 179.1 | 174.7 | 0 | 0 | 0 | 0 | 112.5 | R1366 K1367 F1373 F1396 L1402 K1405 I1406 I1409 | R1366-V1369 PolarHBondContact O-N 2.96Å; K1367-V1369 PolarHBondContact O-N 2.94Å; V1369-F1373 HydrophobicContact CG1-CE1 4.09Å; V1369-F1373 HydrophobicContact CG1-CE2 4.1Å; V1369-F1373 HydrophobicContact CG1-CZ 3.86Å; V1369-F1373 VanDerWaalsContact O-CG 3.24Å; V1369-F1373 WeakPolarHBondContact O-CG 3.45Å; V1369-F1373 PolarHBondContact O-N 3.47Å; V1369-F1373 VanDerWaalsContact O-N 3.12Å; V1369-F1396 HydrophobicContact CG2-CE1 4.32Å; V1369-F1396 HydrophobicContact CG2-CE2 4.49Å; V1369-F1396 HydrophobicContact CG2-CZ 3.76Å; V1369-L1402 HydrophobicContact CG2-CD1 3.68Å; V1369-K1405 HydrophobicContact CG2-CB 4.17Å; V1369-K1405 HydrophobicContact CG2-CG 3.81Å; V1369-I1406 HydrophobicContact CG1-CG1 3.93Å; V1369-I1409 HydrophobicContact CB-CD1 3.61Å; V1369-I1409 HydrophobicContact CG1-CB 4.37Å; V1369-I1409 HydrophobicContact CG1-CD1 3.67Å; V1369-I1409 HydrophobicContact CG2-CD1 4.35Å |
| 1370 | L | 95.5 | Very high | 93 | Very high | 84 Ų | 84 | 61.6 Ų | 61.6 | 44% | 0.44 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -71.3 | -40.9 | 169.1 | -70.4 | 169.8 | 0 | 0 | 0 | 111.1 | R1366 K1367 F1373 Q1374 I1409 I1413 | R1366-L1370 WeakPolarHBondContact O-CG 3.5Å; R1366-L1370 PolarHBondContact O-N 3.07Å; K1367-L1370 PolarHBondContact O-N 3.26Å; K1367-L1370 VanDerWaalsContact O-N 3.15Å; L1370-F1373 CarbonylContact O-C 3.53Å; L1370-F1373 WeakPolarHBondContact O-CA 3.49Å; L1370-F1373 PolarHBondContact O-N 2.91Å; L1370-F1373 VanDerWaalsContact O-N 3.09Å; L1370-Q1374 PolarHBondContact O-N 3.09Å; L1370-I1409 HydrophobicContact CD2-CG2 3.91Å; L1370-I1409 HydrophobicContact CG-CG2 4.46Å; L1370-I1413 HydrophobicContact CD2-CD1 4.31Å |
| 1371 | Q | 95.3 | Very high | 93.7 | Very high | 41 Ų | 41 | 62 Ų | 62 | 19% | 0.192 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59 | -47.6 | 171.3 | -177.6 | 177.4 | -9.5 | 0 | 0 | 111.3 | K1367 L1368 F1373 Q1374 E1375 | K1367-Q1371 PolarHBondContact O-N 3.07Å; L1368-Q1371 PolarHBondContact O-N 3.38Å; Q1371-F1373 PolarHBondContact O-N 3.37Å; Q1371-Q1374 WeakPolarHBondContact O-CB 3.48Å; Q1371-Q1374 PolarHBondContact O-N 3.16Å; Q1371-E1375 WeakPolarHBondContact O-CB 3.38Å; Q1371-E1375 PolarHBondContact O-N 3.12Å |
| 1372 | L | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -55.5 | -34.6 | 172.4 | 179.5 | 69.7 | 0 | 0 | 0 | 113 | L1368 Y1376 P1380 V1384 F1388 L1402 I1406 | L1368-L1372 WeakPolarHBondContact O-CB 3.39Å; L1368-L1372 PolarHBondContact O-N 2.99Å; L1372-Y1376 HydrophobicContact CD1-CD2 3.77Å; L1372-Y1376 HydrophobicContact CD1-CE2 4.29Å; L1372-Y1376 PolarHBondContact O-N 2.93Å; L1372-P1380 HydrophobicContact CD1-CB 4.16Å; L1372-P1380 HydrophobicContact CD2-CB 4.47Å; L1372-P1380 HydrophobicContact CD2-CG 4.02Å; L1372-P1380 HydrophobicContact CG-CB 4.24Å; L1372-P1380 HydrophobicContact CG-CG 4.15Å; L1372-V1384 HydrophobicContact CD1-CG1 3.84Å; L1372-F1388 HydrophobicContact CB-CD2 4.31Å; L1372-F1388 HydrophobicContact CB-CE1 4.38Å; L1372-F1388 HydrophobicContact CB-CE2 3.96Å; L1372-F1388 HydrophobicContact CB-CZ 4.02Å; L1372-F1388 HydrophobicContact CD1-CB 4.05Å; L1372-F1388 HydrophobicContact CD1-CD1 4.39Å; L1372-F1388 HydrophobicContact CD1-CD2 3.64Å; L1372-F1388 HydrophobicContact CD1-CE2 4.16Å; L1372-F1388 HydrophobicContact CD1-CG 3.78Å; L1372-F1388 HydrophobicContact CD2-CD1 4.32Å; L1372-F1388 HydrophobicContact CD2-CG 4.48Å; L1372-F1388 HydrophobicContact CG-CD2 4.47Å; L1372-L1402 HydrophobicContact CD2-CD1 4.38Å; L1372-I1406 HydrophobicContact CD2-CD1 3.71Å; L1372-I1406 HydrophobicContact CD2-CG1 4.04Å |
| 1373 | F | 97.2 | Very high | 94.5 | Very high | 3 Ų | 3 | 65.6 Ų | 65.6 | 1% | 0.013 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -81.2 | -19.6 | 176 | -68.5 | -12.5 | 0 | 0 | 0 | 114.4 | V1369 L1370 Q1371 G1377 L1378 P1380 I1406 I1409 R1410 I1413 F1421 | V1369-F1373 HydrophobicContact CG1-CE1 4.09Å; V1369-F1373 HydrophobicContact CG1-CE2 4.1Å; V1369-F1373 HydrophobicContact CG1-CZ 3.86Å; V1369-F1373 VanDerWaalsContact O-CG 3.24Å; V1369-F1373 WeakPolarHBondContact O-CG 3.45Å; V1369-F1373 PolarHBondContact O-N 3.47Å; V1369-F1373 VanDerWaalsContact O-N 3.12Å; L1370-F1373 CarbonylContact O-C 3.53Å; L1370-F1373 WeakPolarHBondContact O-CA 3.49Å; L1370-F1373 PolarHBondContact O-N 2.91Å; L1370-F1373 VanDerWaalsContact O-N 3.09Å; Q1371-F1373 PolarHBondContact O-N 3.37Å; F1373-G1377 WeakPolarHBondContact CA-O 3.26Å; F1373-G1377 WeakPolarHBondContact CD1-O 3.27Å; F1373-G1377 CarbonylContact O-C 3.2Å; F1373-G1377 WeakPolarHBondContact O-CA 3.45Å; F1373-G1377 PolarHBondContact O-N 3.14Å; F1373-G1377 VanDerWaalsContact O-N 3.17Å; F1373-L1378 HydrophobicContact CD2-CD2 4.14Å; F1373-L1378 HydrophobicContact CE2-CD2 4.25Å; F1373-P1380 HydrophobicContact CE1-CG 4.4Å; F1373-I1406 HydrophobicContact CE1-CB 4.33Å; F1373-I1406 HydrophobicContact CE1-CG1 4.07Å; F1373-I1406 HydrophobicContact CE1-CG2 3.88Å; F1373-I1406 HydrophobicContact CZ-CB 4.26Å; F1373-I1406 HydrophobicContact CZ-CG1 4.37Å; F1373-I1406 HydrophobicContact CZ-CG2 3.91Å; F1373-I1409 HydrophobicContact CD2-CG2 4.42Å; F1373-I1409 HydrophobicContact CE2-CB 4.27Å; F1373-I1409 HydrophobicContact CE2-CG2 3.91Å; F1373-R1410 HydrophobicContact CE2-CB 4.07Å; F1373-R1410 HydrophobicContact CZ-CB 4.01Å; F1373-I1413 HydrophobicContact CD2-CD1 4.04Å; F1373-I1413 HydrophobicContact CE2-CD1 4.15Å; F1373-F1421 HydrophobicContact CB-CZ 4.14Å |
| 1374 | Q | 94.3 | Very high | 94.9 | Very high | 156 Ų | 156 | 60.8 Ų | 60.8 | 73% | 0.729 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -78.9 | -38.3 | 172.3 | -177.2 | 175.3 | -1.5 | 0 | 0 | 110.7 | L1370 Q1371 | L1370-Q1374 PolarHBondContact O-N 3.09Å; Q1371-Q1374 WeakPolarHBondContact O-CB 3.48Å; Q1371-Q1374 PolarHBondContact O-N 3.16Å |
| 1375 | E | 94.1 | Very high | 95.1 | Very high | 91 Ų | 91 | 59.8 Ų | 59.8 | 43% | 0.425 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -83.4 | -38.6 | -176.3 | -166.2 | 179.2 | -166.4 | 0 | 0 | 113 | Q1371 | Q1371-E1375 WeakPolarHBondContact O-CB 3.38Å; Q1371-E1375 PolarHBondContact O-N 3.12Å |
| 1376 | Y | 94.4 | Very high | 95.2 | Very high | 97 Ų | 97 | 60.5 Ų | 60.5 | 38% | 0.38 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -128.2 | 14.2 | -176.4 | -54.7 | -88.6 | 0 | 0 | 0 | 114.2 | L1372 V1384 | L1372-Y1376 HydrophobicContact CD1-CD2 3.77Å; L1372-Y1376 HydrophobicContact CD1-CE2 4.29Å; L1372-Y1376 PolarHBondContact O-N 2.93Å; Y1376-V1384 HydrophobicContact CD1-CB 4.29Å; Y1376-V1384 HydrophobicContact CD1-CG1 3.68Å; Y1376-V1384 HydrophobicContact CD1-CG2 3.6Å; Y1376-V1384 HydrophobicContact CD2-CG1 3.51Å; Y1376-V1384 HydrophobicContact CE1-CB 4.38Å; Y1376-V1384 HydrophobicContact CE1-CG1 3.9Å; Y1376-V1384 HydrophobicContact CE1-CG2 3.52Å; Y1376-V1384 HydrophobicContact CE2-CG1 3.73Å; Y1376-V1384 HydrophobicContact CG-CB 4.5Å; Y1376-V1384 HydrophobicContact CG-CG1 3.47Å; Y1376-V1384 VanDerWaalsContact CG-CG1 3.47Å; Y1376-V1384 HydrophobicContact CG-CG2 4.28Å |
| 1377 | G | 92.3 | Very high | 95.1 | Very high | 32 Ų | 32 | 61.7 Ų | 61.7 | 33% | 0.33 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | -175.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | F1373 F1379 P1380 | F1373-G1377 WeakPolarHBondContact CA-O 3.26Å; F1373-G1377 WeakPolarHBondContact CD1-O 3.27Å; F1373-G1377 CarbonylContact O-C 3.2Å; F1373-G1377 WeakPolarHBondContact O-CA 3.45Å; F1373-G1377 PolarHBondContact O-N 3.14Å; F1373-G1377 VanDerWaalsContact O-N 3.17Å; G1377-F1379 PolarHBondContact O-N 2.86Å; G1377-F1379 VanDerWaalsContact O-N 3.09Å; G1377-P1380 WeakPolarHBondContact O-CD 3.24Å |
| 1378 | L | 92.8 | Very high | 95.2 | Very high | 56 Ų | 56 | 56.5 Ų | 56.5 | 29% | 0.293 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -1.4 | -176.4 | -80.9 | 158.1 | 0 | 0 | 0 | 115.3 | F1373 R1410 I1413 F1421 | F1373-L1378 HydrophobicContact CD2-CD2 4.14Å; F1373-L1378 HydrophobicContact CE2-CD2 4.25Å; L1378-R1410 HydrophobicContact CD2-CB 4.41Å; L1378-R1410 HydrophobicContact CD2-CG 4.05Å; L1378-R1410 VanDerWaalsContact O-CD 3.28Å; L1378-R1410 WeakPolarHBondContact O-CD 3.32Å; L1378-R1410 PolarHBondContact O-NH1 3.32Å; L1378-I1413 HydrophobicContact CD2-CD1 4.2Å; L1378-I1413 HydrophobicContact CD2-CG2 4.39Å; L1378-F1421 HydrophobicContact CD1-CE2 3.94Å; L1378-F1421 HydrophobicContact CD1-CZ 4.44Å; L1378-F1421 HydrophobicContact CD2-CE2 4.01Å; L1378-F1421 HydrophobicContact CD2-CZ 4.31Å; L1378-F1421 HydrophobicContact CG-CE2 4Å; L1378-F1421 HydrophobicContact CG-CZ 4.11Å |
| 1379 | F | 94.6 | Very high | 95.2 | Very high | 155 Ų | 155 | 57.8 Ų | 57.8 | 68% | 0.68 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -141.2 | 59.9 | -175.3 | -66.5 | -113.6 | 0 | 0 | 0 | 110.7 | G1377 R1410 | G1377-F1379 PolarHBondContact O-N 2.86Å; G1377-F1379 VanDerWaalsContact O-N 3.09Å; F1379-R1410 VanDerWaalsContact CD2-NH1 3.27Å; F1379-R1410 VanDerWaalsContact CE2-NH1 3.34Å; F1379-R1410 VanDerWaalsContact CZ-CZ 3.42Å; F1379-R1410 VanDerWaalsContact CZ-NH1 3.34Å |
| 1380 | P | 95 | Very high | 95.1 | Very high | 12 Ų | 12 | 63.9 Ų | 63.9 | 8% | 0.078 | 33% | 0.327 | C | S | . | . | trans | -60.1 | 142 | -179.2 | 25.7 | -33.6 | 0 | 0 | 0 | 111.2 | L1372 F1373 G1377 V1384 I1385 I1406 | L1372-P1380 HydrophobicContact CD1-CB 4.16Å; L1372-P1380 HydrophobicContact CD2-CB 4.47Å; L1372-P1380 HydrophobicContact CD2-CG 4.02Å; L1372-P1380 HydrophobicContact CG-CB 4.24Å; L1372-P1380 HydrophobicContact CG-CG 4.15Å; F1373-P1380 HydrophobicContact CE1-CG 4.4Å; G1377-P1380 WeakPolarHBondContact O-CD 3.24Å; P1380-V1384 HydrophobicContact CB-CG1 3.91Å; P1380-I1385 HydrophobicContact CB-CG1 4Å; P1380-I1385 HydrophobicContact CG-CD1 4.1Å; P1380-I1385 HydrophobicContact CG-CG1 3.89Å; P1380-I1385 VanDerWaalsContact O-CD1 3.29Å; P1380-I1385 WeakPolarHBondContact O-CD1 3.28Å; P1380-I1406 HydrophobicContact CG-CD1 4.04Å | ||
| 1381 | S | 95.3 | Very high | 95 | Very high | 60 Ų | 60 | 63.4 Ų | 63.4 | 42% | 0.42 | 33% | 0.33 | S | S | . | . | trans | -71.4 | 163.4 | -173.5 | 73.9 | 0 | 0 | 0 | 0 | 113 | V1384 I1385 | S1381-V1384 PolarHBondContact O-N 3.38Å; S1381-V1384 WeakPolarHBondContact OG-CB 3.29Å; S1381-V1384 VanDerWaalsContact OG-CG2 3.26Å; S1381-V1384 WeakPolarHBondContact OG-CG2 3.43Å; S1381-V1384 PolarHBondContact OG-N 3.49Å; S1381-I1385 VanDerWaalsContact O-CG1 3.31Å; S1381-I1385 WeakPolarHBondContact O-CG1 3.42Å; S1381-I1385 PolarHBondContact O-N 2.96Å | ||
| 1382 | I | 93.9 | Very high | 95 | Very high | 106 Ų | 106 | 64.1 Ų | 64.1 | 54% | 0.544 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.4 | -44.8 | 179.2 | -84.5 | 173.1 | 0 | 0 | 0 | 113.2 | T1386 | I1382-T1386 PolarHBondContact O-N 2.99Å; I1382-T1386 PolarHBondContact O-OG1 3.15Å |
| 1383 | P | 95.6 | Very high | 94.9 | Very high | 91 Ų | 91 | 66.2 Ų | 66.2 | 59% | 0.591 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -60.7 | -48.9 | 172.7 | -25.9 | 36 | 0 | 0 | 0 | 112.4 | I1385 T1386 H1387 | P1383-I1385 PolarHBondContact O-N 3.35Å; P1383-T1386 WeakPolarHBondContact O-CA 3.49Å; P1383-T1386 WeakPolarHBondContact O-CB 3.49Å; P1383-T1386 PolarHBondContact O-N 3.01Å; P1383-H1387 PolarHBondContact O-N 3.26Å |
| 1384 | V | 95.1 | Very high | 94.6 | Very high | 24 Ų | 24 | 70 Ų | 70 | 15% | 0.145 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.5 | -46.9 | 180 | 164.9 | 0 | 0 | 0 | 0 | 112 | L1372 Y1376 P1380 S1381 T1386 H1387 F1388 | L1372-V1384 HydrophobicContact CD1-CG1 3.84Å; Y1376-V1384 HydrophobicContact CD1-CB 4.29Å; Y1376-V1384 HydrophobicContact CD1-CG1 3.68Å; Y1376-V1384 HydrophobicContact CD1-CG2 3.6Å; Y1376-V1384 HydrophobicContact CD2-CG1 3.51Å; Y1376-V1384 HydrophobicContact CE1-CB 4.38Å; Y1376-V1384 HydrophobicContact CE1-CG1 3.9Å; Y1376-V1384 HydrophobicContact CE1-CG2 3.52Å; Y1376-V1384 HydrophobicContact CE2-CG1 3.73Å; Y1376-V1384 HydrophobicContact CG-CB 4.5Å; Y1376-V1384 HydrophobicContact CG-CG1 3.47Å; Y1376-V1384 VanDerWaalsContact CG-CG1 3.47Å; Y1376-V1384 HydrophobicContact CG-CG2 4.28Å; P1380-V1384 HydrophobicContact CB-CG1 3.91Å; S1381-V1384 PolarHBondContact O-N 3.38Å; S1381-V1384 WeakPolarHBondContact OG-CB 3.29Å; S1381-V1384 VanDerWaalsContact OG-CG2 3.26Å; S1381-V1384 WeakPolarHBondContact OG-CG2 3.43Å; S1381-V1384 PolarHBondContact OG-N 3.49Å; V1384-T1386 PolarHBondContact O-N 2.97Å; V1384-H1387 PolarHBondContact O-N 2.8Å; V1384-F1388 VanDerWaalsContact O-CB 3.27Å; V1384-F1388 WeakPolarHBondContact O-CB 3.26Å; V1384-F1388 PolarHBondContact O-N 2.9Å |
| 1385 | I | 96.1 | Very high | 94.6 | Very high | 14 Ų | 14 | 65.7 Ų | 65.7 | 7% | 0.072 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.4 | -32.6 | 175.8 | -67.8 | 172.5 | 0 | 0 | 0 | 111.1 | P1380 S1381 P1383 Q1389 R1399 L1402 Q1403 I1406 | P1380-I1385 HydrophobicContact CB-CG1 4Å; P1380-I1385 HydrophobicContact CG-CD1 4.1Å; P1380-I1385 HydrophobicContact CG-CG1 3.89Å; P1380-I1385 VanDerWaalsContact O-CD1 3.29Å; P1380-I1385 WeakPolarHBondContact O-CD1 3.28Å; S1381-I1385 VanDerWaalsContact O-CG1 3.31Å; S1381-I1385 WeakPolarHBondContact O-CG1 3.42Å; S1381-I1385 PolarHBondContact O-N 2.96Å; P1383-I1385 PolarHBondContact O-N 3.35Å; I1385-Q1389 VanDerWaalsContact O-CB 3.26Å; I1385-Q1389 WeakPolarHBondContact O-CB 3.14Å; I1385-Q1389 PolarHBondContact O-N 3.45Å; I1385-Q1389 VanDerWaalsContact O-N 3.14Å; I1385-R1399 HydrophobicContact CG2-CG 4.04Å; I1385-L1402 HydrophobicContact CG2-CD2 3.97Å; I1385-L1402 HydrophobicContact CG2-CG 4.36Å; I1385-L1402 WeakPolarHBondContact O-CD2 3.31Å; I1385-Q1403 HydrophobicContact CD1-CG 4.46Å; I1385-Q1403 HydrophobicContact CG2-CG 3.93Å; I1385-I1406 HydrophobicContact CD1-CD1 3.94Å; I1385-I1406 HydrophobicContact CG1-CD1 3.91Å; I1385-I1406 HydrophobicContact CG2-CD1 4.44Å |
| 1386 | T | 95.6 | Very high | 94.7 | Very high | 37 Ų | 37 | 61.5 Ų | 61.5 | 23% | 0.227 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -75 | -49.7 | -179.9 | -50.1 | 0 | 0 | 0 | 0 | 110.7 | I1382 P1383 V1384 F1388 Q1389 Q1390 R1399 | I1382-T1386 PolarHBondContact O-N 2.99Å; I1382-T1386 PolarHBondContact O-OG1 3.15Å; P1383-T1386 WeakPolarHBondContact O-CA 3.49Å; P1383-T1386 WeakPolarHBondContact O-CB 3.49Å; P1383-T1386 PolarHBondContact O-N 3.01Å; V1384-T1386 PolarHBondContact O-N 2.97Å; T1386-F1388 PolarHBondContact O-N 3.19Å; T1386-Q1389 PolarHBondContact O-N 3.42Å; T1386-Q1389 VanDerWaalsContact O-N 3.16Å; T1386-Q1390 WeakPolarHBondContact O-CG 3.47Å; T1386-Q1390 PolarHBondContact O-N 3.18Å; T1386-Q1390 PolarHBondContact O-OE1 3.41Å; T1386-R1399 WeakPolarHBondContact OG1-CD 3.38Å; T1386-R1399 PolarHBondContact OG1-NH1 3.2Å |
| 1387 | H | 95.2 | Very high | 94.7 | Very high | 113 Ų | 113 | 60.1 Ų | 60.1 | 52% | 0.523 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.2 | -48.8 | 176 | -176.6 | -110.5 | 0 | 0 | 0 | 111.9 | P1383 V1384 Q1389 Q1390 C1391 | P1383-H1387 PolarHBondContact O-N 3.26Å; V1384-H1387 PolarHBondContact O-N 2.8Å; H1387-Q1389 VanDerWaalsContact C-N 3.28Å; H1387-Q1389 PolarHBondContact O-N 3Å; H1387-Q1390 WeakPolarHBondContact O-CB 3.36Å; H1387-Q1390 PolarHBondContact O-N 3.1Å; H1387-Q1390 VanDerWaalsContact O-N 3.1Å; H1387-C1391 PolarHBondContact O-N 3.4Å; H1387-C1391 PolarHBondContact O-SG 2.98Å |
| 1388 | F | 97.1 | Very high | 94.8 | Very high | 10 Ų | 10 | 61 Ų | 61 | 4% | 0.044 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.4 | -34.4 | 177.4 | -166.4 | -84.1 | 0 | 0 | 0 | 112.2 | L1368 L1372 V1384 T1386 Y1392 F1396 L1402 | L1368-F1388 HydrophobicContact CB-CE1 4.19Å; L1368-F1388 HydrophobicContact CB-CZ 4.03Å; L1368-F1388 WeakPolarHBondContact O-CZ 3.48Å; L1372-F1388 HydrophobicContact CB-CD2 4.31Å; L1372-F1388 HydrophobicContact CB-CE1 4.38Å; L1372-F1388 HydrophobicContact CB-CE2 3.96Å; L1372-F1388 HydrophobicContact CB-CZ 4.02Å; L1372-F1388 HydrophobicContact CD1-CB 4.05Å; L1372-F1388 HydrophobicContact CD1-CD1 4.39Å; L1372-F1388 HydrophobicContact CD1-CD2 3.64Å; L1372-F1388 HydrophobicContact CD1-CE2 4.16Å; L1372-F1388 HydrophobicContact CD1-CG 3.78Å; L1372-F1388 HydrophobicContact CD2-CD1 4.32Å; L1372-F1388 HydrophobicContact CD2-CG 4.48Å; L1372-F1388 HydrophobicContact CG-CD2 4.47Å; V1384-F1388 VanDerWaalsContact O-CB 3.27Å; V1384-F1388 WeakPolarHBondContact O-CB 3.26Å; V1384-F1388 PolarHBondContact O-N 2.9Å; T1386-F1388 PolarHBondContact O-N 3.19Å; F1388-Y1392 AromaticContact CD1-CD2 3.74Å; F1388-Y1392 HydrophobicContact CD1-CD2 3.74Å; F1388-Y1392 HydrophobicContact CD1-CE2 4.4Å; F1388-Y1392 HydrophobicContact CD2-CD2 4.04Å; F1388-Y1392 AromaticContact CD2-CE2 3.92Å; F1388-Y1392 HydrophobicContact CD2-CE2 3.92Å; F1388-Y1392 AromaticContact CE1-CD2 3.46Å; F1388-Y1392 HydrophobicContact CE1-CD2 3.46Å; F1388-Y1392 VanDerWaalsContact CE1-CD2 3.46Å; F1388-Y1392 AromaticContact CE1-CE2 3.99Å; F1388-Y1392 HydrophobicContact CE1-CE2 3.99Å; F1388-Y1392 HydrophobicContact CE1-CG 4.26Å; F1388-Y1392 AromaticContact CE2-CD2 3.79Å; F1388-Y1392 HydrophobicContact CE2-CD2 3.79Å; F1388-Y1392 AromaticContact CE2-CE2 3.46Å; F1388-Y1392 HydrophobicContact CE2-CE2 3.46Å; F1388-Y1392 VanDerWaalsContact CE2-CE2 3.46Å; F1388-Y1392 HydrophobicContact CG-CD2 4.01Å; F1388-Y1392 HydrophobicContact CG-CE2 4.37Å; F1388-Y1392 AromaticContact CZ-CD2 3.48Å; F1388-Y1392 HydrophobicContact CZ-CD2 3.48Å; F1388-Y1392 VanDerWaalsContact CZ-CD2 3.48Å; F1388-Y1392 AromaticContact CZ-CE2 3.48Å; F1388-Y1392 HydrophobicContact CZ-CE2 3.48Å; F1388-Y1392 VanDerWaalsContact CZ-CE2 3.48Å; F1388-Y1392 HydrophobicContact CZ-CG 4.46Å; F1388-Y1392 WeakPolarHBondContact O-CD2 3.19Å; F1388-Y1392 PolarHBondContact O-N 3.35Å; F1388-Y1392 VanDerWaalsContact O-N 3.07Å; F1388-F1396 HydrophobicContact CE1-CE2 4.42Å; F1388-L1402 HydrophobicContact CB-CD2 4.36Å; F1388-L1402 HydrophobicContact CD1-CD1 4.29Å; F1388-L1402 HydrophobicContact CD1-CD2 3.83Å; F1388-L1402 HydrophobicContact CE1-CD1 4.47Å |
| 1389 | Q | 95.9 | Very high | 94.9 | Very high | 31 Ų | 31 | 62.4 Ų | 62.4 | 15% | 0.145 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -70.3 | -34 | 174.8 | -172 | -101.1 | -73.7 | 0 | 0 | 112.7 | I1385 T1386 H1387 Y1392 A1393 F1396 R1399 L1402 | I1385-Q1389 VanDerWaalsContact O-CB 3.26Å; I1385-Q1389 WeakPolarHBondContact O-CB 3.14Å; I1385-Q1389 PolarHBondContact O-N 3.45Å; I1385-Q1389 VanDerWaalsContact O-N 3.14Å; T1386-Q1389 PolarHBondContact O-N 3.42Å; T1386-Q1389 VanDerWaalsContact O-N 3.16Å; H1387-Q1389 VanDerWaalsContact C-N 3.28Å; H1387-Q1389 PolarHBondContact O-N 3Å; Q1389-Y1392 CarbonylContact O-C 2.89Å; Q1389-A1393 WeakPolarHBondContact O-CA 3.31Å; Q1389-A1393 PolarHBondContact O-N 2.83Å; Q1389-F1396 HydrophobicContact CG-CB 4.06Å; Q1389-F1396 VanDerWaalsContact CG-O 3.3Å; Q1389-F1396 WeakPolarHBondContact CG-O 3.43Å; Q1389-F1396 PolarHBondContact NE2-O 3.39Å; Q1389-F1396 VanDerWaalsContact NE2-O 3.13Å; Q1389-R1399 HydrophobicContact CG-CB 4.49Å; Q1389-L1402 HydrophobicContact CB-CD2 3.84Å |
| 1390 | Q | 94.7 | Very high | 94.9 | Very high | 128 Ų | 128 | 61.9 Ų | 61.9 | 60% | 0.598 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -66.8 | -49.2 | 173.5 | -70.5 | 164 | -42.9 | 0 | 0 | 110.5 | T1386 H1387 Y1392 A1393 | T1386-Q1390 WeakPolarHBondContact O-CG 3.47Å; T1386-Q1390 PolarHBondContact O-N 3.18Å; T1386-Q1390 PolarHBondContact O-OE1 3.41Å; H1387-Q1390 WeakPolarHBondContact O-CB 3.36Å; H1387-Q1390 PolarHBondContact O-N 3.1Å; H1387-Q1390 VanDerWaalsContact O-N 3.1Å; Q1390-Y1392 VanDerWaalsContact C-N 3.27Å; Q1390-Y1392 PolarHBondContact O-N 2.97Å; Q1390-A1393 PolarHBondContact O-N 3.19Å |
| 1391 | C | 94.8 | Very high | 94.9 | Very high | 74 Ų | 74 | 62.7 Ų | 62.7 | 50% | 0.5 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57 | -37.6 | 177.1 | -62.3 | 0 | 0 | 0 | 0 | 113.1 | H1387 | H1387-C1391 PolarHBondContact O-N 3.4Å; H1387-C1391 PolarHBondContact O-SG 2.98Å |
| 1392 | Y | 95.5 | Very high | 95 | Very high | 57 Ų | 57 | 59.9 Ų | 59.9 | 22% | 0.224 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 33.6 | -177 | -62.1 | -73.3 | 0 | 0 | 0 | 113.2 | L1368 F1388 Q1389 Q1390 C1394 Y1395 F1396 | L1368-Y1392 HydrophobicContact CD1-CD1 3.85Å; L1368-Y1392 HydrophobicContact CD1-CE1 4.42Å; L1368-Y1392 HydrophobicContact CD1-CG 4.1Å; L1368-Y1392 HydrophobicContact CD2-CD1 3.77Å; L1368-Y1392 HydrophobicContact CD2-CD2 4.49Å; L1368-Y1392 HydrophobicContact CD2-CE1 3.49Å; L1368-Y1392 VanDerWaalsContact CD2-CE1 3.49Å; L1368-Y1392 HydrophobicContact CD2-CE2 4.27Å; L1368-Y1392 HydrophobicContact CD2-CG 4.27Å; L1368-Y1392 HydrophobicContact CG-CD1 4.47Å; F1388-Y1392 AromaticContact CD1-CD2 3.74Å; F1388-Y1392 HydrophobicContact CD1-CD2 3.74Å; F1388-Y1392 HydrophobicContact CD1-CE2 4.4Å; F1388-Y1392 HydrophobicContact CD2-CD2 4.04Å; F1388-Y1392 AromaticContact CD2-CE2 3.92Å; F1388-Y1392 HydrophobicContact CD2-CE2 3.92Å; F1388-Y1392 AromaticContact CE1-CD2 3.46Å; F1388-Y1392 HydrophobicContact CE1-CD2 3.46Å; F1388-Y1392 VanDerWaalsContact CE1-CD2 3.46Å; F1388-Y1392 AromaticContact CE1-CE2 3.99Å; F1388-Y1392 HydrophobicContact CE1-CE2 3.99Å; F1388-Y1392 HydrophobicContact CE1-CG 4.26Å; F1388-Y1392 AromaticContact CE2-CD2 3.79Å; F1388-Y1392 HydrophobicContact CE2-CD2 3.79Å; F1388-Y1392 AromaticContact CE2-CE2 3.46Å; F1388-Y1392 HydrophobicContact CE2-CE2 3.46Å; F1388-Y1392 VanDerWaalsContact CE2-CE2 3.46Å; F1388-Y1392 HydrophobicContact CG-CD2 4.01Å; F1388-Y1392 HydrophobicContact CG-CE2 4.37Å; F1388-Y1392 AromaticContact CZ-CD2 3.48Å; F1388-Y1392 HydrophobicContact CZ-CD2 3.48Å; F1388-Y1392 VanDerWaalsContact CZ-CD2 3.48Å; F1388-Y1392 AromaticContact CZ-CE2 3.48Å; F1388-Y1392 HydrophobicContact CZ-CE2 3.48Å; F1388-Y1392 VanDerWaalsContact CZ-CE2 3.48Å; F1388-Y1392 HydrophobicContact CZ-CG 4.46Å; F1388-Y1392 WeakPolarHBondContact O-CD2 3.19Å; F1388-Y1392 PolarHBondContact O-N 3.35Å; F1388-Y1392 VanDerWaalsContact O-N 3.07Å; Q1389-Y1392 CarbonylContact O-C 2.89Å; Q1390-Y1392 VanDerWaalsContact C-N 3.27Å; Q1390-Y1392 PolarHBondContact O-N 2.97Å; Y1392-C1394 VanDerWaalsContact C-N 3.27Å; Y1392-C1394 PolarHBondContact O-N 3.06Å; Y1392-Y1395 HydrophobicContact CD1-CD2 4.38Å; Y1392-Y1395 CarbonylContact O-C 3.54Å; Y1392-Y1395 WeakPolarHBondContact O-CA 3.45Å; Y1392-Y1395 PolarHBondContact O-N 3.29Å; Y1392-F1396 PolarHBondContact O-N 2.72Å |
| 1393 | A | 94.1 | Very high | 95.1 | Very high | 43 Ų | 43 | 56.8 Ų | 56.8 | 36% | 0.355 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -35.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | Q1389 Q1390 Y1395 F1396 P1397 | Q1389-A1393 WeakPolarHBondContact O-CA 3.31Å; Q1389-A1393 PolarHBondContact O-N 2.83Å; Q1390-A1393 PolarHBondContact O-N 3.19Å; A1393-Y1395 PolarHBondContact O-N 3.08Å; A1393-F1396 CarbonylContact O-C 3.51Å; A1393-F1396 PolarHBondContact O-N 3.36Å; A1393-P1397 WeakPolarHBondContact O-CA 3.46Å |
| 1394 | C | 91.4 | Very high | 95 | Very high | 84 Ų | 84 | 57.7 Ų | 57.7 | 57% | 0.568 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -30.1 | 174.2 | 59.7 | 0 | 0 | 0 | 0 | 113.2 | Y1392 | Y1392-C1394 VanDerWaalsContact C-N 3.27Å; Y1392-C1394 PolarHBondContact O-N 3.06Å |
| 1395 | Y | 94.2 | Very high | 95.1 | Very high | 65 Ų | 65 | 57.2 Ų | 57.2 | 26% | 0.255 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -32.7 | 173.1 | -64.9 | -69.8 | 0 | 0 | 0 | 112.1 | I1364 R1365 L1368 Y1392 A1393 | I1364-Y1395 HydrophobicContact CB-CE1 4.12Å; I1364-Y1395 HydrophobicContact CD1-CE1 4.12Å; I1364-Y1395 HydrophobicContact CG2-CD1 3.93Å; I1364-Y1395 HydrophobicContact CG2-CE1 3.53Å; I1364-Y1395 HydrophobicContact CG2-CE2 4.17Å; I1364-Y1395 HydrophobicContact CG2-CG 4.41Å; R1365-Y1395 PolarHBondContact NE-O 3.17Å; R1365-Y1395 PolarHBondContact NH2-O 2.69Å; L1368-Y1395 HydrophobicContact CD1-CD2 3.63Å; L1368-Y1395 HydrophobicContact CD1-CE2 4.29Å; L1368-Y1395 HydrophobicContact CD1-CG 3.84Å; Y1392-Y1395 HydrophobicContact CD1-CD2 4.38Å; Y1392-Y1395 CarbonylContact O-C 3.54Å; Y1392-Y1395 WeakPolarHBondContact O-CA 3.45Å; Y1392-Y1395 PolarHBondContact O-N 3.29Å; A1393-Y1395 PolarHBondContact O-N 3.08Å |
| 1396 | F | 96.3 | Very high | 95.1 | Very high | 3 Ų | 3 | 57.4 Ų | 57.4 | 1% | 0.013 | 31% | 0.305 | C | S | . | . | trans | -126.8 | 84.6 | -178.8 | -58.8 | -75.5 | 0 | 0 | 0 | 110.9 | R1365 L1368 V1369 F1388 Q1389 Y1392 A1393 S1398 L1402 K1405 | R1365-F1396 HydrophobicContact CB-CE1 4.19Å; R1365-F1396 HydrophobicContact CB-CZ 3.95Å; R1365-F1396 HydrophobicContact CG-CE1 4Å; R1365-F1396 HydrophobicContact CG-CZ 3.92Å; L1368-F1396 HydrophobicContact CB-CE2 4.14Å; L1368-F1396 HydrophobicContact CD1-CE2 4Å; V1369-F1396 HydrophobicContact CG2-CE1 4.32Å; V1369-F1396 HydrophobicContact CG2-CE2 4.49Å; V1369-F1396 HydrophobicContact CG2-CZ 3.76Å; F1388-F1396 HydrophobicContact CE1-CE2 4.42Å; Q1389-F1396 HydrophobicContact CG-CB 4.06Å; Q1389-F1396 VanDerWaalsContact CG-O 3.3Å; Q1389-F1396 WeakPolarHBondContact CG-O 3.43Å; Q1389-F1396 PolarHBondContact NE2-O 3.39Å; Q1389-F1396 VanDerWaalsContact NE2-O 3.13Å; Y1392-F1396 PolarHBondContact O-N 2.72Å; A1393-F1396 CarbonylContact O-C 3.51Å; A1393-F1396 PolarHBondContact O-N 3.36Å; F1396-S1398 PolarHBondContact O-N 3.32Å; F1396-L1402 HydrophobicContact CB-CB 4.11Å; F1396-L1402 HydrophobicContact CD1-CB 4Å; F1396-L1402 HydrophobicContact CD1-CD1 3.97Å; F1396-L1402 HydrophobicContact CD2-CD1 4.04Å; F1396-L1402 HydrophobicContact CE1-CD1 3.91Å; F1396-L1402 HydrophobicContact CE2-CD1 3.98Å; F1396-L1402 HydrophobicContact CG-CB 4.05Å; F1396-L1402 HydrophobicContact CG-CD1 4.03Å; F1396-L1402 HydrophobicContact CZ-CD1 3.92Å; F1396-K1405 HydrophobicContact CE1-CB 3.9Å; F1396-K1405 HydrophobicContact CE1-CG 3.92Å; F1396-K1405 HydrophobicContact CZ-CG 4.39Å | ||
| 1397 | P | 93.8 | Very high | 95.1 | Very high | 67 Ų | 67 | 62.9 Ų | 62.9 | 44% | 0.435 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -62.7 | -12.5 | -175.3 | -26.2 | 35.9 | 0 | 0 | 0 | 115.3 | A1393 | A1393-P1397 WeakPolarHBondContact O-CA 3.46Š|
| 1398 | S | 94.8 | Very high | 95.1 | Very high | 51 Ų | 51 | 60.3 Ų | 60.3 | 36% | 0.357 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -147.9 | 152.4 | 171.6 | 74.5 | 0 | 0 | 0 | 0 | 111.5 | F1396 Q1400 A1401 L1402 | F1396-S1398 PolarHBondContact O-N 3.32Å; S1398-Q1400 PolarHBondContact O-N 3.1Å; S1398-A1401 WeakPolarHBondContact O-CB 3.41Å; S1398-A1401 PolarHBondContact O-N 3.01Å; S1398-A1401 PolarHBondContact OG-N 2.94Å; S1398-L1402 PolarHBondContact O-N 3.05Å |
| 1399 | R | 94.1 | Very high | 95 | Very high | 85 Ų | 85 | 60.3 Ų | 60.3 | 32% | 0.321 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -55.2 | -32.1 | 172.1 | 170.2 | 164.3 | 151.6 | -168 | -14 | 112.4 | I1385 T1386 Q1389 L1402 Q1403 | I1385-R1399 HydrophobicContact CG2-CG 4.04Å; T1386-R1399 WeakPolarHBondContact OG1-CD 3.38Å; T1386-R1399 PolarHBondContact OG1-NH1 3.2Å; Q1389-R1399 HydrophobicContact CG-CB 4.49Å; R1399-L1402 PolarHBondContact O-N 3.49Å; R1399-Q1403 HydrophobicContact CG-CG 4.39Å; R1399-Q1403 WeakPolarHBondContact O-CB 3.39Å; R1399-Q1403 VanDerWaalsContact O-CG 3.29Å; R1399-Q1403 WeakPolarHBondContact O-CG 3.45Å; R1399-Q1403 PolarHBondContact O-N 2.98Å |
| 1400 | Q | 94.8 | Very high | 94.9 | Very high | 145 Ų | 145 | 61.8 Ų | 61.8 | 68% | 0.678 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.7 | -42.2 | 173.1 | -63.7 | -173.9 | 4.2 | 0 | 0 | 112 | S1398 L1402 Q1403 L1404 | S1398-Q1400 PolarHBondContact O-N 3.1Å; Q1400-L1402 PolarHBondContact O-N 3.49Å; Q1400-Q1403 PolarHBondContact O-N 3.4Å; Q1400-L1404 WeakPolarHBondContact O-CB 3.48Å; Q1400-L1404 VanDerWaalsContact O-CG 3.3Å; Q1400-L1404 WeakPolarHBondContact O-CG 3.4Å; Q1400-L1404 PolarHBondContact O-N 2.96Å |
| 1401 | A | 94.9 | Very high | 94.7 | Very high | 29 Ų | 29 | 64.3 Ų | 64.3 | 24% | 0.24 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63 | -40.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1398 K1405 | S1398-A1401 WeakPolarHBondContact O-CB 3.41Å; S1398-A1401 PolarHBondContact O-N 3.01Å; S1398-A1401 PolarHBondContact OG-N 2.94Å; A1401-K1405 PolarHBondContact O-N 3.24Å; A1401-K1405 VanDerWaalsContact O-N 3.09Å |
| 1402 | L | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.7 | -46.5 | 173.5 | -179.5 | 58.6 | 0 | 0 | 0 | 111.8 | V1369 L1372 I1385 F1388 Q1389 F1396 S1398 R1399 Q1400 L1404 K1405 I1406 | V1369-L1402 HydrophobicContact CG2-CD1 3.68Å; L1372-L1402 HydrophobicContact CD2-CD1 4.38Å; I1385-L1402 HydrophobicContact CG2-CD2 3.97Å; I1385-L1402 HydrophobicContact CG2-CG 4.36Å; I1385-L1402 WeakPolarHBondContact O-CD2 3.31Å; F1388-L1402 HydrophobicContact CB-CD2 4.36Å; F1388-L1402 HydrophobicContact CD1-CD1 4.29Å; F1388-L1402 HydrophobicContact CD1-CD2 3.83Å; F1388-L1402 HydrophobicContact CE1-CD1 4.47Å; Q1389-L1402 HydrophobicContact CB-CD2 3.84Å; F1396-L1402 HydrophobicContact CB-CB 4.11Å; F1396-L1402 HydrophobicContact CD1-CB 4Å; F1396-L1402 HydrophobicContact CD1-CD1 3.97Å; F1396-L1402 HydrophobicContact CD2-CD1 4.04Å; F1396-L1402 HydrophobicContact CE1-CD1 3.91Å; F1396-L1402 HydrophobicContact CE2-CD1 3.98Å; F1396-L1402 HydrophobicContact CG-CB 4.05Å; F1396-L1402 HydrophobicContact CG-CD1 4.03Å; F1396-L1402 HydrophobicContact CZ-CD1 3.92Å; S1398-L1402 PolarHBondContact O-N 3.05Å; R1399-L1402 PolarHBondContact O-N 3.49Å; Q1400-L1402 PolarHBondContact O-N 3.49Å; L1402-L1404 VanDerWaalsContact C-N 3.33Å; L1402-L1404 PolarHBondContact O-N 2.89Å; L1402-K1405 WeakPolarHBondContact O-CA 3.33Å; L1402-K1405 WeakPolarHBondContact O-CB 3.42Å; L1402-K1405 PolarHBondContact O-N 3.4Å; L1402-I1406 HydrophobicContact CD1-CD1 4.29Å; L1402-I1406 HydrophobicContact CD1-CG1 4.4Å; L1402-I1406 HydrophobicContact CG-CD1 3.95Å; L1402-I1406 WeakPolarHBondContact O-CG1 3.44Å; L1402-I1406 PolarHBondContact O-N 3.17Å |
| 1403 | Q | 95.7 | Very high | 94.2 | Very high | 41 Ų | 41 | 64.9 Ų | 64.9 | 19% | 0.192 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.8 | -38.4 | 177.1 | -74.9 | -177.7 | -5.9 | 0 | 0 | 113 | I1385 R1399 Q1400 K1405 R1407 | I1385-Q1403 HydrophobicContact CD1-CG 4.46Å; I1385-Q1403 HydrophobicContact CG2-CG 3.93Å; R1399-Q1403 HydrophobicContact CG-CG 4.39Å; R1399-Q1403 WeakPolarHBondContact O-CB 3.39Å; R1399-Q1403 VanDerWaalsContact O-CG 3.29Å; R1399-Q1403 WeakPolarHBondContact O-CG 3.45Å; R1399-Q1403 PolarHBondContact O-N 2.98Å; Q1400-Q1403 PolarHBondContact O-N 3.4Å; Q1403-K1405 VanDerWaalsContact C-N 3.31Å; Q1403-R1407 WeakPolarHBondContact O-CB 3.35Å; Q1403-R1407 VanDerWaalsContact O-CG 3.26Å; Q1403-R1407 WeakPolarHBondContact O-CG 3.42Å; Q1403-R1407 PolarHBondContact O-N 2.9Å |
| 1404 | L | 94.7 | Very high | 93.6 | Very high | 110 Ų | 110 | 68.5 Ų | 68.5 | 58% | 0.576 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.5 | -35.2 | 172.9 | -72.2 | 169.9 | 0 | 0 | 0 | 111.7 | Q1400 L1402 R1407 E1408 | Q1400-L1404 WeakPolarHBondContact O-CB 3.48Å; Q1400-L1404 VanDerWaalsContact O-CG 3.3Å; Q1400-L1404 WeakPolarHBondContact O-CG 3.4Å; Q1400-L1404 PolarHBondContact O-N 2.96Å; L1402-L1404 VanDerWaalsContact C-N 3.33Å; L1402-L1404 PolarHBondContact O-N 2.89Å; L1404-R1407 PolarHBondContact O-N 3.26Å; L1404-E1408 PolarHBondContact O-N 2.94Å |
| 1405 | K | 96.3 | Very high | 93.1 | Very high | 15 Ų | 15 | 70 Ų | 70 | 7% | 0.065 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.3 | -42.3 | 176 | -160.5 | 74.4 | -172.6 | 171.9 | 0 | 112.9 | R1365 V1369 F1396 A1401 L1402 Q1403 R1407 E1408 I1409 | R1365-K1405 HydrophobicContact CB-CD 4.49Å; R1365-K1405 WeakPolarHBondContact O-CE 3.47Å; V1369-K1405 HydrophobicContact CG2-CB 4.17Å; V1369-K1405 HydrophobicContact CG2-CG 3.81Å; F1396-K1405 HydrophobicContact CE1-CB 3.9Å; F1396-K1405 HydrophobicContact CE1-CG 3.92Å; F1396-K1405 HydrophobicContact CZ-CG 4.39Å; A1401-K1405 PolarHBondContact O-N 3.24Å; A1401-K1405 VanDerWaalsContact O-N 3.09Å; L1402-K1405 WeakPolarHBondContact O-CA 3.33Å; L1402-K1405 WeakPolarHBondContact O-CB 3.42Å; L1402-K1405 PolarHBondContact O-N 3.4Å; Q1403-K1405 VanDerWaalsContact C-N 3.31Å; K1405-R1407 VanDerWaalsContact C-N 3.32Å; K1405-R1407 PolarHBondContact O-N 2.89Å; K1405-E1408 WeakPolarHBondContact CD-OE2 3.31Å; K1405-E1408 WeakPolarHBondContact CE-OE2 3.28Å; K1405-E1408 IonicContact NZ-OE1 3.61Å; K1405-E1408 IonicContact NZ-OE2 3.56Å; K1405-E1408 PolarHBondContact NZ-OE2 3.03Å; K1405-E1408 WeakPolarHBondContact O-CB 3.47Å; K1405-E1408 PolarHBondContact O-N 3.09Å; K1405-I1409 HydrophobicContact CD-CD1 4.49Å; K1405-I1409 HydrophobicContact CG-CD1 3.93Å; K1405-I1409 PolarHBondContact O-N 3.25Å |
| 1406 | I | 96.4 | Very high | 92.3 | Very high | 17 Ų | 17 | 70.4 Ų | 70.4 | 9% | 0.087 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -53.9 | -50.3 | 169.9 | -74.1 | 165.2 | 0 | 0 | 0 | 109.7 | V1369 L1372 F1373 P1380 I1385 L1402 E1408 I1409 R1410 | V1369-I1406 HydrophobicContact CG1-CG1 3.93Å; L1372-I1406 HydrophobicContact CD2-CD1 3.71Å; L1372-I1406 HydrophobicContact CD2-CG1 4.04Å; F1373-I1406 HydrophobicContact CE1-CB 4.33Å; F1373-I1406 HydrophobicContact CE1-CG1 4.07Å; F1373-I1406 HydrophobicContact CE1-CG2 3.88Å; F1373-I1406 HydrophobicContact CZ-CB 4.26Å; F1373-I1406 HydrophobicContact CZ-CG1 4.37Å; F1373-I1406 HydrophobicContact CZ-CG2 3.91Å; P1380-I1406 HydrophobicContact CG-CD1 4.04Å; I1385-I1406 HydrophobicContact CD1-CD1 3.94Å; I1385-I1406 HydrophobicContact CG1-CD1 3.91Å; I1385-I1406 HydrophobicContact CG2-CD1 4.44Å; L1402-I1406 HydrophobicContact CD1-CD1 4.29Å; L1402-I1406 HydrophobicContact CD1-CG1 4.4Å; L1402-I1406 HydrophobicContact CG-CD1 3.95Å; L1402-I1406 WeakPolarHBondContact O-CG1 3.44Å; L1402-I1406 PolarHBondContact O-N 3.17Å; I1406-E1408 PolarHBondContact O-N 2.8Å; I1406-I1409 PolarHBondContact O-N 3.45Å; I1406-R1410 VanDerWaalsContact O-CB 3.28Å; I1406-R1410 WeakPolarHBondContact O-CB 3.12Å; I1406-R1410 PolarHBondContact O-N 2.75Å |
| 1407 | R | 95.8 | Very high | 90.1 | Very high | 152 Ų | 152 | 77.4 Ų | 77.4 | 57% | 0.574 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.7 | -41.3 | 175.7 | -70.2 | 168.7 | -178.8 | 135.1 | -2.9 | 112.7 | Q1403 L1404 K1405 R1411 | Q1403-R1407 WeakPolarHBondContact O-CB 3.35Å; Q1403-R1407 VanDerWaalsContact O-CG 3.26Å; Q1403-R1407 WeakPolarHBondContact O-CG 3.42Å; Q1403-R1407 PolarHBondContact O-N 2.9Å; L1404-R1407 PolarHBondContact O-N 3.26Å; K1405-R1407 VanDerWaalsContact C-N 3.32Å; K1405-R1407 PolarHBondContact O-N 2.89Å; R1407-R1411 WeakPolarHBondContact O-CB 3.29Å; R1407-R1411 PolarHBondContact O-N 2.85Å; R1407-R1411 VanDerWaalsContact O-N 3.1Å |
| 1408 | E | 95 | Very high | 87.7 | Confident | 59 Ų | 59 | 79.1 Ų | 79.1 | 28% | 0.276 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.4 | -50.8 | 176.2 | -174.6 | -158.8 | 153.4 | 0 | 0 | 111.7 | R1366 L1404 K1405 I1406 R1412 | R1366-E1408 IonicContact NE-OE1 2.7Å; R1366-E1408 IonicContact NH2-OE1 3.1Å; L1404-E1408 PolarHBondContact O-N 2.94Å; K1405-E1408 WeakPolarHBondContact CD-OE2 3.31Å; K1405-E1408 WeakPolarHBondContact CE-OE2 3.28Å; K1405-E1408 IonicContact NZ-OE1 3.61Å; K1405-E1408 IonicContact NZ-OE2 3.56Å; K1405-E1408 PolarHBondContact NZ-OE2 3.03Å; K1405-E1408 WeakPolarHBondContact O-CB 3.47Å; K1405-E1408 PolarHBondContact O-N 3.09Å; I1406-E1408 PolarHBondContact O-N 2.8Å; E1408-R1412 WeakPolarHBondContact O-CG 3.48Å; E1408-R1412 PolarHBondContact O-N 2.95Å; E1408-R1412 IonicContact OE1-CZ 3.38Å; E1408-R1412 IonicContact OE1-NE 2.83Å; E1408-R1412 IonicContact OE1-NH1 3.19Å; E1408-R1412 IonicContact OE1-NH2 3.19Å; E1408-R1412 PolarHBondContact OE1-NH2 3.45Å |
| 1409 | I | 94.7 | Very high | 85.2 | Confident | 10 Ų | 10 | 82.6 Ų | 82.6 | 5% | 0.051 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -76.8 | -44.6 | -170.5 | -67.1 | 166 | 0 | 0 | 0 | 110.5 | R1366 V1369 L1370 F1373 K1405 I1406 R1411 R1412 I1413 | R1366-I1409 HydrophobicContact CB-CD1 4.21Å; R1366-I1409 HydrophobicContact CG-CD1 3.93Å; R1366-I1409 HydrophobicContact CG-CG1 4.38Å; V1369-I1409 HydrophobicContact CB-CD1 3.61Å; V1369-I1409 HydrophobicContact CG1-CB 4.37Å; V1369-I1409 HydrophobicContact CG1-CD1 3.67Å; V1369-I1409 HydrophobicContact CG2-CD1 4.35Å; L1370-I1409 HydrophobicContact CD2-CG2 3.91Å; L1370-I1409 HydrophobicContact CG-CG2 4.46Å; F1373-I1409 HydrophobicContact CD2-CG2 4.42Å; F1373-I1409 HydrophobicContact CE2-CB 4.27Å; F1373-I1409 HydrophobicContact CE2-CG2 3.91Å; K1405-I1409 HydrophobicContact CD-CD1 4.49Å; K1405-I1409 HydrophobicContact CG-CD1 3.93Å; K1405-I1409 PolarHBondContact O-N 3.25Å; I1406-I1409 PolarHBondContact O-N 3.45Å; I1409-R1411 VanDerWaalsContact C-N 3.3Å; I1409-R1411 PolarHBondContact O-N 3.39Å; I1409-R1412 WeakPolarHBondContact O-CA 3.42Å; I1409-R1412 WeakPolarHBondContact O-CB 3.41Å; I1409-R1412 PolarHBondContact O-N 2.96Å; I1409-I1413 HydrophobicContact CG2-CD1 4.01Å; I1409-I1413 WeakPolarHBondContact O-CG1 3.26Å; I1409-I1413 PolarHBondContact O-N 3.12Å |
| 1410 | R | 93.5 | Very high | 82.9 | Confident | 63 Ų | 63 | 81.1 Ų | 81.1 | 24% | 0.238 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.8 | -37.8 | 174.2 | 175.5 | 166.5 | 154.7 | -170.2 | -8.4 | 112.4 | F1373 L1378 F1379 I1406 R1412 I1413 M1414 | F1373-R1410 HydrophobicContact CE2-CB 4.07Å; F1373-R1410 HydrophobicContact CZ-CB 4.01Å; L1378-R1410 HydrophobicContact CD2-CB 4.41Å; L1378-R1410 HydrophobicContact CD2-CG 4.05Å; L1378-R1410 VanDerWaalsContact O-CD 3.28Å; L1378-R1410 WeakPolarHBondContact O-CD 3.32Å; L1378-R1410 PolarHBondContact O-NH1 3.32Å; F1379-R1410 VanDerWaalsContact CD2-NH1 3.27Å; F1379-R1410 VanDerWaalsContact CE2-NH1 3.34Å; F1379-R1410 VanDerWaalsContact CZ-CZ 3.42Å; F1379-R1410 VanDerWaalsContact CZ-NH1 3.34Å; I1406-R1410 VanDerWaalsContact O-CB 3.28Å; I1406-R1410 WeakPolarHBondContact O-CB 3.12Å; I1406-R1410 PolarHBondContact O-N 2.75Å; R1410-R1412 PolarHBondContact O-N 2.9Å; R1410-I1413 PolarHBondContact O-N 3.12Å; R1410-M1414 HydrophobicContact CG-CG 4.26Å; R1410-M1414 HydrophobicContact CG-SD 3.88Å; R1410-M1414 WeakPolarHBondContact O-CB 3.49Å; R1410-M1414 WeakPolarHBondContact O-CG 3.49Å; R1410-M1414 PolarHBondContact O-N 3.5Å |
| 1411 | R | 91.4 | Very high | 80.4 | Confident | 180 Ų | 180 | 77.8 Ų | 77.8 | 68% | 0.679 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.7 | -24.3 | 174.4 | -166.7 | 179.9 | -156.4 | -174.3 | 9.5 | 113 | R1407 I1409 Q1415 | R1407-R1411 WeakPolarHBondContact O-CB 3.29Å; R1407-R1411 PolarHBondContact O-N 2.85Å; R1407-R1411 VanDerWaalsContact O-N 3.1Å; I1409-R1411 VanDerWaalsContact C-N 3.3Å; I1409-R1411 PolarHBondContact O-N 3.39Å; R1411-Q1415 WeakPolarHBondContact O-CB 3.46Å; R1411-Q1415 WeakPolarHBondContact O-CG 3.49Å; R1411-Q1415 PolarHBondContact O-N 3.31Å |
| 1412 | R | 91.2 | Very high | 77.8 | Confident | 115 Ų | 115 | 81.7 Ų | 81.7 | 43% | 0.434 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -78.9 | -43.5 | 172.5 | -68.6 | 172.4 | -175.9 | -157.5 | 3.1 | 111.9 | R1366 E1408 I1409 R1410 M1414 Q1415 T1416 | R1366-R1412 VanDerWaalsContact NH2-NH1 3.13Å; E1408-R1412 WeakPolarHBondContact O-CG 3.48Å; E1408-R1412 PolarHBondContact O-N 2.95Å; E1408-R1412 IonicContact OE1-CZ 3.38Å; E1408-R1412 IonicContact OE1-NE 2.83Å; E1408-R1412 IonicContact OE1-NH1 3.19Å; E1408-R1412 IonicContact OE1-NH2 3.19Å; E1408-R1412 PolarHBondContact OE1-NH2 3.45Å; I1409-R1412 WeakPolarHBondContact O-CA 3.42Å; I1409-R1412 WeakPolarHBondContact O-CB 3.41Å; I1409-R1412 PolarHBondContact O-N 2.96Å; R1410-R1412 PolarHBondContact O-N 2.9Å; R1412-M1414 VanDerWaalsContact C-N 3.29Å; R1412-M1414 PolarHBondContact O-N 3.24Å; R1412-Q1415 CarbonylContact O-C 3.49Å; R1412-Q1415 WeakPolarHBondContact O-CA 3.09Å; R1412-Q1415 WeakPolarHBondContact O-CB 2.98Å; R1412-Q1415 PolarHBondContact O-N 3.46Å; R1412-T1416 PolarHBondContact O-N 3.03Å; R1412-T1416 PolarHBondContact O-OG1 2.79Å |
| 1413 | I | 87.8 | Confident | 75.1 | Confident | 28 Ų | 28 | 88.9 Ų | 88.9 | 14% | 0.144 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -57.7 | -44.9 | 175 | -66.8 | 166.9 | 0 | 0 | 0 | 109.9 | L1370 F1373 L1378 I1409 R1410 Q1415 T1416 P1420 F1421 | L1370-I1413 HydrophobicContact CD2-CD1 4.31Å; F1373-I1413 HydrophobicContact CD2-CD1 4.04Å; F1373-I1413 HydrophobicContact CE2-CD1 4.15Å; L1378-I1413 HydrophobicContact CD2-CD1 4.2Å; L1378-I1413 HydrophobicContact CD2-CG2 4.39Å; I1409-I1413 HydrophobicContact CG2-CD1 4.01Å; I1409-I1413 WeakPolarHBondContact O-CG1 3.26Å; I1409-I1413 PolarHBondContact O-N 3.12Å; R1410-I1413 PolarHBondContact O-N 3.12Å; I1413-Q1415 PolarHBondContact O-N 2.93Å; I1413-T1416 PolarHBondContact O-N 3.22Å; I1413-T1416 VanDerWaalsContact O-N 3.15Å; I1413-T1416 PolarHBondContact O-OG1 3.22Å; I1413-P1420 HydrophobicContact CG2-CG 3.96Å; I1413-F1421 HydrophobicContact CD1-CE2 4.14Å; I1413-F1421 HydrophobicContact CG2-CD2 4.48Å; I1413-F1421 HydrophobicContact CG2-CE2 4.21Å |
| 1414 | M | 81 | Confident | 72.5 | Confident | 120 Ų | 120 | 90 Ų | 90 | 59% | 0.591 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | 13.1 | 173.1 | -59.1 | 179.8 | 73.4 | 0 | 0 | 114.4 | R1410 R1412 | R1410-M1414 HydrophobicContact CG-CG 4.26Å; R1410-M1414 HydrophobicContact CG-SD 3.88Å; R1410-M1414 WeakPolarHBondContact O-CB 3.49Å; R1410-M1414 WeakPolarHBondContact O-CG 3.49Å; R1410-M1414 PolarHBondContact O-N 3.5Å; R1412-M1414 VanDerWaalsContact C-N 3.29Å; R1412-M1414 PolarHBondContact O-N 3.24Å |
| 1415 | Q | 82.5 | Confident | 69.8 | Low | 116 Ų | 116 | 89.7 Ų | 89.7 | 54% | 0.542 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | 2.5 | 167.5 | -79 | 177 | 5.4 | 0 | 0 | 111.7 | R1411 R1412 I1413 | R1411-Q1415 WeakPolarHBondContact O-CB 3.46Å; R1411-Q1415 WeakPolarHBondContact O-CG 3.49Å; R1411-Q1415 PolarHBondContact O-N 3.31Å; R1412-Q1415 CarbonylContact O-C 3.49Å; R1412-Q1415 WeakPolarHBondContact O-CA 3.09Å; R1412-Q1415 WeakPolarHBondContact O-CB 2.98Å; R1412-Q1415 PolarHBondContact O-N 3.46Å; I1413-Q1415 PolarHBondContact O-N 2.93Å |
| 1416 | T | 77.5 | Confident | 66.9 | Low | 73 Ų | 73 | 94.6 Ų | 94.6 | 45% | 0.448 | 45% | 0.454 | S | S | . | . | trans | -121.2 | 76.8 | 176 | 51.5 | 0 | 0 | 0 | 0 | 107.9 | R1412 I1413 S1418 | R1412-T1416 PolarHBondContact O-N 3.03Å; R1412-T1416 PolarHBondContact O-OG1 2.79Å; I1413-T1416 PolarHBondContact O-N 3.22Å; I1413-T1416 VanDerWaalsContact O-N 3.15Å; I1413-T1416 PolarHBondContact O-OG1 3.22Å; T1416-S1418 PolarHBondContact O-N 2.93Å | ||
| 1417 | D | 49.7 | Very low | 64.1 | Low | 150 Ų | 150 | 98.7 Ų | 98.7 | 80% | 0.802 | 47% | 0.472 | S | S | * | . | trans | -72.7 | 61.9 | 178.9 | -63.1 | -46.5 | 0 | 0 | 0 | 111 | ||||
| 1418 | S | 43.1 | Very low | 61.1 | Low | 102 Ų | 102 | 97.5 Ų | 97.5 | 71% | 0.713 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -168.4 | 111.3 | 171.9 | -8.3 | 0 | 0 | 0 | 0 | 109.4 | T1416 P1420 | T1416-S1418 PolarHBondContact O-N 2.93Å; S1418-P1420 WeakPolarHBondContact O-CD 3.41Å |
| 1419 | H | 42.4 | Very low | 58.3 | Low | 124 Ų | 124 | 100.5 Ų | 100.5 | 57% | 0.574 | 49% | 0.494 | S | S | * | . | trans | 3 | 88.2 | 177 | -83.9 | -95.1 | 0 | 0 | 0 | 118.9 | Q1422 K1423 | H1419-Q1422 PolarHBondContact CE1-OE1 3.33Å; H1419-Q1422 PolarHBondContact ND1-OE1 3.15Å; H1419-K1423 WeakPolarHBondContact O-CB 3.07Å | ||
| 1420 | P | 45.7 | Very low | 55.2 | Low | 55 Ų | 55 | 108.8 Ų | 108.8 | 36% | 0.357 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -89.8 | -16.9 | 162.3 | 33.3 | -31.2 | 0 | 0 | 0 | 113.6 | I1413 S1418 | I1413-P1420 HydrophobicContact CG2-CG 3.96Å; S1418-P1420 WeakPolarHBondContact O-CD 3.41Å |
| 1421 | F | 42.2 | Very low | 52.3 | Low | 75 Ų | 75 | 112.1 Ų | 112.1 | 33% | 0.329 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -95.1 | -30.3 | -172.1 | -99.1 | -81.7 | 0 | 0 | 0 | 116 | F1373 L1378 I1413 T1424 I1425 | F1373-F1421 HydrophobicContact CB-CZ 4.14Å; L1378-F1421 HydrophobicContact CD1-CE2 3.94Å; L1378-F1421 HydrophobicContact CD1-CZ 4.44Å; L1378-F1421 HydrophobicContact CD2-CE2 4.01Å; L1378-F1421 HydrophobicContact CD2-CZ 4.31Å; L1378-F1421 HydrophobicContact CG-CE2 4Å; L1378-F1421 HydrophobicContact CG-CZ 4.11Å; I1413-F1421 HydrophobicContact CD1-CE2 4.14Å; I1413-F1421 HydrophobicContact CG2-CD2 4.48Å; I1413-F1421 HydrophobicContact CG2-CE2 4.21Å; F1421-T1424 PolarHBondContact O-OG1 3.07Å; F1421-I1425 VanDerWaalsContact O-CD1 3.31Å; F1421-I1425 WeakPolarHBondContact O-CD1 3.37Å; F1421-I1425 WeakPolarHBondContact O-CG1 3.4Å |
| 1422 | Q | 40.3 | Very low | 49.2 | Very low | 111 Ų | 111 | 109.1 Ų | 109.1 | 52% | 0.519 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -84.7 | -25.3 | 169.9 | -77.4 | 178.3 | -28.4 | 0 | 0 | 112.1 | H1419 T1424 I1425 I1426 | H1419-Q1422 PolarHBondContact CE1-OE1 3.33Å; H1419-Q1422 PolarHBondContact ND1-OE1 3.15Å; Q1422-T1424 VanDerWaalsContact C-N 3.28Å; Q1422-T1424 PolarHBondContact O-N 3.45Å; Q1422-I1425 PolarHBondContact O-N 3.15Å; Q1422-I1426 WeakPolarHBondContact O-CG1 3.4Å; Q1422-I1426 PolarHBondContact O-N 3.15Å |
| 1423 | K | 40.3 | Very low | 46.5 | Very low | 150 Ų | 150 | 110.6 Ų | 110.6 | 65% | 0.652 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -77.2 | -10.3 | -175.7 | -163.1 | 159.5 | -174.5 | 167.1 | 0 | 114 | H1419 K1427 | H1419-K1423 WeakPolarHBondContact O-CB 3.07Å; K1423-K1427 WeakPolarHBondContact O-CB 3.32Å |
| 1424 | T | 40.7 | Very low | 43.8 | Very low | 65 Ų | 65 | 115.7 Ų | 115.7 | 40% | 0.399 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -87.4 | -50.5 | 163.3 | 44.5 | 0 | 0 | 0 | 0 | 110.9 | F1421 Q1422 I1426 K1427 D1428 | F1421-T1424 PolarHBondContact O-OG1 3.07Å; Q1422-T1424 VanDerWaalsContact C-N 3.28Å; Q1422-T1424 PolarHBondContact O-N 3.45Å; T1424-I1426 PolarHBondContact O-N 2.94Å; T1424-K1427 PolarHBondContact O-N 3.42Å; T1424-D1428 WeakPolarHBondContact CB-OD2 3.48Å; T1424-D1428 WeakPolarHBondContact O-CB 3.13Å; T1424-D1428 PolarHBondContact O-N 3.02Å |
| 1425 | I | 37.7 | Very low | 41.6 | Very low | 104 Ų | 104 | 116.9 Ų | 116.9 | 53% | 0.533 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -52.8 | -34.4 | -179.9 | -63 | 172.8 | 0 | 0 | 0 | 112.7 | F1421 Q1422 N1429 | F1421-I1425 VanDerWaalsContact O-CD1 3.31Å; F1421-I1425 WeakPolarHBondContact O-CD1 3.37Å; F1421-I1425 WeakPolarHBondContact O-CG1 3.4Å; Q1422-I1425 PolarHBondContact O-N 3.15Å; I1425-N1429 PolarHBondContact O-ND2 3.29Å |
| 1426 | I | 36.2 | Very low | 39.3 | Very low | 117 Ų | 117 | 120.4 Ų | 120.4 | 60% | 0.6 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -21.7 | 178.7 | -61.8 | 169.9 | 0 | 0 | 0 | 112.9 | Q1422 T1424 | Q1422-I1426 WeakPolarHBondContact O-CG1 3.4Å; Q1422-I1426 PolarHBondContact O-N 3.15Å; T1424-I1426 PolarHBondContact O-N 2.94Å |
| 1427 | K | 37.7 | Very low | 37.4 | Very low | 104 Ų | 104 | 125.5 Ų | 125.5 | 45% | 0.452 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.8 | -6 | -172.4 | -159.8 | 153.1 | -175 | 62.7 | 0 | 115.6 | K1423 T1424 D1431 | K1423-K1427 WeakPolarHBondContact O-CB 3.32Å; T1424-K1427 PolarHBondContact O-N 3.42Å; K1427-D1431 VanDerWaalsContact CE-OD2 3.25Å; K1427-D1431 WeakPolarHBondContact CE-OD2 3.46Å; K1427-D1431 IonicContact NZ-OD1 2.72Å; K1427-D1431 PolarHBondContact NZ-OD1 3.18Å; K1427-D1431 VanDerWaalsContact NZ-OD1 3.1Å; K1427-D1431 IonicContact NZ-OD2 3.69Å; K1427-D1431 PolarHBondContact NZ-OD2 3.28Å |
| 1428 | D | 33.5 | Very low | 36.6 | Very low | 127 Ų | 127 | 125.2 Ų | 125.2 | 68% | 0.679 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -88.8 | 9.3 | 163.8 | -60.3 | -47.5 | 0 | 0 | 0 | 111.5 | T1424 | T1424-D1428 WeakPolarHBondContact CB-OD2 3.48Å; T1424-D1428 WeakPolarHBondContact O-CB 3.13Å; T1424-D1428 PolarHBondContact O-N 3.02Å |
| 1429 | N | 35.4 | Very low | 36.1 | Very low | 121 Ų | 121 | 124 Ų | 124 | 65% | 0.647 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -124.7 | -7.3 | -179 | -78.1 | -57.8 | 0 | 0 | 0 | 115 | I1425 | I1425-N1429 PolarHBondContact O-ND2 3.29Š|
| 1430 | Y | 30.1 | Very low | 35.8 | Very low | 185 Ų | 185 | 122 Ų | 122 | 73% | 0.725 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -146.5 | 111.8 | 175.3 | -72.4 | -88.7 | 0 | 0 | 0 | 109.1 | ||
| 1431 | D | 32.2 | Very low | 35.3 | Very low | 133 Ų | 133 | 126.5 Ų | 126.5 | 71% | 0.711 | 65% | 0.645 | S | S | * | * | trans | 160.2 | 62.7 | 163.7 | -86.4 | 1 | 0 | 0 | 0 | 108.8 | K1427 | K1427-D1431 VanDerWaalsContact CE-OD2 3.25Å; K1427-D1431 WeakPolarHBondContact CE-OD2 3.46Å; K1427-D1431 IonicContact NZ-OD1 2.72Å; K1427-D1431 PolarHBondContact NZ-OD1 3.18Å; K1427-D1431 VanDerWaalsContact NZ-OD1 3.1Å; K1427-D1431 IonicContact NZ-OD2 3.69Å; K1427-D1431 PolarHBondContact NZ-OD2 3.28Å | ||
| 1432 | C | 26.5 | Very low | 35 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 79% | 0.791 | 67% | 0.668 | S | S | * | * | trans | -160.6 | 135.3 | 169.9 | -175.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 1433 | L | 33.3 | Very low | 34.8 | Very low | 146 Ų | 146 | 133 Ų | 133 | 76% | 0.764 | 68% | 0.682 | S | S | * | * | trans | 68.3 | 125.8 | -152.7 | -49.9 | -179.2 | 0 | 0 | 0 | 109.2 | ||||
| 1434 | D | 32.3 | Very low | 34.7 | Very low | 134 Ų | 134 | 132.4 Ų | 132.4 | 72% | 0.717 | 69% | 0.685 | S | S | * | * | cis | -138.3 | 179.1 | 8.3 | -67.3 | -63.4 | 0 | 0 | 0 | 110.1 | ||||
| 1435 | D | 34.4 | Very low | 34.4 | Very low | 145 Ų | 145 | 136 Ų | 136 | 78% | 0.775 | 70% | 0.702 | S | S | * | * | cis | -150.4 | 177.7 | 4.7 | -147.6 | -31.9 | 0 | 0 | 0 | 111.6 | ||||
| 1436 | K | 33.6 | Very low | 34.3 | Very low | 191 Ų | 191 | 138.1 Ų | 138.1 | 83% | 0.83 | 72% | 0.715 | S | S | * | * | trans | -149.7 | 89.5 | 173 | -174.4 | -154.7 | 172.8 | -169.4 | 0 | 112.7 | ||||
| 1437 | K | 37.5 | Very low | 34.1 | Very low | 180 Ų | 180 | 139.9 Ų | 139.9 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | trans | -153.2 | 134.8 | 158.3 | -102.6 | 158.4 | -176.7 | -177.4 | 0 | 108.2 | ||||
| 1438 | N | 33.1 | Very low | 34 | Very low | 143 Ų | 143 | 142.7 Ų | 142.7 | 77% | 0.765 | 75% | 0.745 | S | S | * | * | 57.6 | 110.5 | 93.5 | -57.9 | 27.7 | 0 | 0 | 0 | 110.6 | |||||
| 1439 | A | 33 | Very low | 34 | Very low | 77 Ų | 77 | 145.1 Ų | 145.1 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | cis | 83.7 | 126.5 | 47.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1440 | D | 37.1 | Very low | 34 | Very low | 83 Ų | 83 | 146.5 Ų | 146.5 | 44% | 0.444 | 76% | 0.758 | S | S | . | * | trans | 73.9 | 142.3 | 167.7 | -47.7 | -35.8 | 0 | 0 | 0 | 117.9 | V607 | V607-D1440 PolarHBondContact N-OD2 2.7Š| ||
| 1441 | N | 35.1 | Very low | 34.3 | Very low | 149 Ų | 149 | 145.5 Ų | 145.5 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | 68.4 | 123 | -173.3 | -43.2 | -22.4 | 0 | 0 | 0 | 114.3 | ||||
| 1442 | D | 34.2 | Very low | 34.3 | Very low | 150 Ų | 150 | 143.5 Ų | 143.5 | 80% | 0.802 | 75% | 0.749 | S | S | * | * | cis | 106.1 | 155.2 | 33.2 | -74.1 | -42.3 | 0 | 0 | 0 | 111.9 | ||||
| 1443 | E | 36.2 | Very low | 34.5 | Very low | 173 Ų | 173 | 143.9 Ų | 143.9 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | trans | 74.1 | 110.2 | 176 | -61.8 | -179.4 | 176.8 | 0 | 0 | 119.3 | ||||
| 1444 | D | 38.3 | Very low | 34.5 | Very low | 136 Ų | 136 | 145.6 Ų | 145.6 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | 72.4 | 104.4 | 124 | -60.8 | 10.9 | 0 | 0 | 0 | 123.1 | |||||
| 1445 | D | 35.5 | Very low | 34.4 | Very low | 140 Ų | 140 | 147.7 Ų | 147.7 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | 58 | 153.3 | 114.9 | -73.9 | -1.3 | 0 | 0 | 0 | 124.4 | |||||
| 1446 | N | 34.9 | Very low | 34.2 | Very low | 150 Ų | 150 | 150.2 Ų | 150.2 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | trans | 92.9 | 106.5 | 165.9 | -53.5 | -79.5 | 0 | 0 | 0 | 117.4 | ||||
| 1447 | D | 32.3 | Very low | 33.8 | Very low | 154 Ų | 154 | 146.1 Ų | 146.1 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | trans | -53.8 | 156.9 | 154 | -50.7 | -94.1 | 0 | 0 | 0 | 112.3 | ||||
| 1448 | D | 36.3 | Very low | 33.4 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | -160.4 | 146.6 | 123.6 | -119 | -26.7 | 0 | 0 | 0 | 111.8 | |||||
| 1449 | E | 33.7 | Very low | 33.3 | Very low | 178 Ų | 178 | 145.1 Ų | 145.1 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -96.5 | -160.2 | 179 | -152.7 | -179.7 | 153.9 | 0 | 0 | 110.7 | ||||
| 1450 | I | 33.8 | Very low | 33 | Very low | 150 Ų | 150 | 151.8 Ų | 151.8 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | 78.5 | 144.8 | 168.5 | -52 | 168.1 | 0 | 0 | 0 | 115.7 | ||||
| 1451 | E | 37.3 | Very low | 32.6 | Very low | 163 Ų | 163 | 154 Ų | 154 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | cis | -168.3 | -153.9 | -39.6 | -152.2 | -153.3 | 151.5 | 0 | 0 | 108.1 | ||||
| 1452 | L | 31.8 | Very low | 32.5 | Very low | 91 Ų | 91 | 154.7 Ų | 154.7 | 48% | 0.476 | 80% | 0.795 | S | S | . | * | trans | 70.5 | 92.4 | 163.5 | -92.3 | 73.6 | 0 | 0 | 0 | 120.4 | ||||
| 1453 | T | 31.1 | Very low | 32.4 | Very low | 126 Ų | 126 | 151.6 Ų | 151.6 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -30.4 | 125.1 | 140.7 | 52.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1454 | K | 32.6 | Very low | 32.3 | Very low | 182 Ų | 182 | 151.3 Ų | 151.3 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -169.3 | 94.4 | 145.2 | -104.1 | 154.6 | -172.3 | 169.4 | 0 | 112.7 | ||||
| 1455 | I | 30.7 | Very low | 32 | Very low | 178 Ų | 178 | 152.3 Ų | 152.3 | 91% | 0.913 | 78% | 0.782 | S | S | * | * | trans | -172.4 | 119.8 | 135.4 | -96.7 | 154 | 0 | 0 | 0 | 107.5 | ||||
| 1456 | K | 30.4 | Very low | 32 | Very low | 198 Ų | 198 | 150.8 Ų | 150.8 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | -141 | 122.1 | -177.4 | -177.9 | -179.6 | -177.6 | 178.9 | 0 | 107.4 | ||||
| 1457 | C | 25.7 | Very low | 31.8 | Very low | 105 Ų | 105 | 150.3 Ų | 150.3 | 71% | 0.709 | 78% | 0.778 | S | S | * | * | trans | 61.6 | 118.7 | -174.6 | -61.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1458 | S | 28.2 | Very low | 32.3 | Very low | 117 Ų | 117 | 148.1 Ų | 148.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | -172.3 | 101.3 | 105.7 | -82.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1459 | L | 30.9 | Very low | 32.1 | Very low | 184 Ų | 184 | 147.5 Ų | 147.5 | 96% | 0.963 | 77% | 0.767 | S | S | * | * | trans | -150.2 | 78.8 | 135.9 | -110.2 | 174 | 0 | 0 | 0 | 108.2 | ||||
| 1460 | R | 27.8 | Very low | 32.1 | Very low | 217 Ų | 217 | 143.7 Ų | 143.7 | 82% | 0.819 | 76% | 0.756 | S | S | * | * | trans | -97.6 | 172.5 | 167 | -94 | -170.5 | 174.2 | -164.6 | -0.1 | 109.3 | ||||
| 1461 | T | 28.2 | Very low | 31.9 | Very low | 130 Ų | 130 | 147 Ų | 147 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | trans | 65.8 | 79.1 | 155.7 | 40.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1462 | I | 33.4 | Very low | 31.6 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | -124.4 | 103.1 | 128.3 | -62.5 | -176.1 | 0 | 0 | 0 | 104.2 | |||||
| 1463 | S | 31.1 | Very low | 31.9 | Very low | 85 Ų | 85 | 144.6 Ų | 144.6 | 59% | 0.594 | 76% | 0.763 | S | S | * | * | 64.3 | 134.6 | 93.3 | -73.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1464 | K | 33.7 | Very low | 31.9 | Very low | 168 Ų | 168 | 146.3 Ų | 146.3 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | cis | -164.4 | 144.3 | 3.4 | -105.1 | 160.3 | -171.9 | 175.3 | 0 | 112.3 | ||||
| 1465 | H | 32.4 | Very low | 32.2 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | 58.7 | 167.9 | 147.9 | -60.7 | -55 | 0 | 0 | 0 | 124.5 | ||||
| 1466 | S | 36.5 | Very low | 32.4 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | 73.4 | 105.2 | 168.5 | -54.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1467 | I | 30.8 | Very low | 32.6 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 72% | 0.723 | 75% | 0.75 | S | S | * | * | cis | 77 | 130.6 | 12 | -42.8 | 162.8 | 0 | 0 | 0 | 114 | ||||
| 1468 | P | 42.1 | Very low | 33 | Very low | 107 Ų | 107 | 138 Ų | 138 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | cis | -139.7 | -118.5 | -39.7 | 41.1 | -18.4 | 0 | 0 | 0 | 112.2 | ||||
| 1469 | I | 32.2 | Very low | 33.3 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 77% | 0.774 | 74% | 0.742 | S | S | * | * | trans | 84 | 136.2 | 163 | -73.2 | 159.3 | 0 | 0 | 0 | 118.6 | ||||
| 1470 | V | 32.9 | Very low | 33.5 | Very low | 97 Ų | 97 | 137.4 Ų | 137.4 | 59% | 0.588 | 72% | 0.721 | S | S | * | * | cis | -167.6 | 148.5 | -28.6 | 92.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1471 | R | 30 | Very low | 33.9 | Very low | 220 Ų | 220 | 132 Ų | 132 | 83% | 0.83 | 71% | 0.709 | S | S | * | * | trans | 60.2 | 167.3 | 163.1 | -71.3 | 173.6 | -177.5 | 104.6 | -1.8 | 116.5 | ||||
| 1472 | S | 31.7 | Very low | 34.2 | Very low | 95 Ų | 95 | 135.9 Ų | 135.9 | 66% | 0.664 | 71% | 0.709 | S | S | * | * | cis | -166 | 169.7 | -7.1 | -117.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1473 | T | 37.5 | Very low | 34 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 67% | 0.669 | 71% | 0.705 | S | S | * | * | cis | -169.3 | 147 | -35.2 | 20.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1474 | N | 31.4 | Very low | 34.1 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 87% | 0.866 | 72% | 0.715 | S | S | * | * | trans | 73.3 | 156.3 | 154.6 | -55.6 | -4.3 | 0 | 0 | 0 | 121.2 | ||||
| 1475 | G | 38.9 | Very low | 33.9 | Very low | 73 Ų | 73 | 133.4 Ų | 133.4 | 75% | 0.753 | 71% | 0.714 | S | S | * | * | trans | 109.2 | 82.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1476 | L | 34.5 | Very low | 34.1 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 71% | 0.712 | 71% | 0.708 | S | S | * | * | cis | 83.7 | 85.7 | 30.5 | -144.5 | -171.7 | 0 | 0 | 0 | 114.9 | E1478 | L1476-E1478 HydrophobicContact CD2-CB 4.23Š| ||
| 1477 | H | 35.6 | Very low | 33.9 | Very low | 160 Ų | 160 | 132.3 Ų | 132.3 | 74% | 0.741 | 71% | 0.705 | S | S | * | * | trans | -172.3 | 122.8 | 136 | -132.9 | -82.9 | 0 | 0 | 0 | 107.2 | ||||
| 1478 | E | 33.3 | Very low | 34 | Very low | 120 Ų | 120 | 132 Ų | 132 | 56% | 0.561 | 71% | 0.705 | S | S | * | * | cis | 96.7 | 105 | 22.3 | -160.7 | 174.6 | -163.3 | 0 | 0 | 114.5 | L1476 T1480 | L1476-E1478 HydrophobicContact CD2-CB 4.23Å; E1478-T1480 HydrophobicContact CG-CG2 3.34Å | ||
| 1479 | Y | 35.4 | Very low | 33.7 | Very low | 203 Ų | 203 | 134.6 Ų | 134.6 | 80% | 0.796 | 71% | 0.707 | S | S | * | * | trans | -178.1 | 93.9 | 149.5 | -116.4 | -78.4 | 0 | 0 | 0 | 105.8 | ||||
| 1480 | T | 34.4 | Very low | 33.8 | Very low | 84 Ų | 84 | 133.2 Ų | 133.2 | 52% | 0.515 | 70% | 0.701 | S | S | . | * | cis | 80.3 | 149 | 41.7 | 77.3 | 0 | 0 | 0 | 0 | 115.9 | E1478 | E1478-T1480 HydrophobicContact CG-CG2 3.34Š| ||
| 1481 | N | 36.8 | Very low | 33.9 | Very low | 105 Ų | 105 | 134.5 Ų | 134.5 | 56% | 0.561 | 71% | 0.705 | S | S | * | * | trans | 78.2 | 132.6 | -172.1 | -47.7 | -83.8 | 0 | 0 | 0 | 115.4 | ||||
| 1482 | R | 33.5 | Very low | 34.1 | Very low | 211 Ų | 211 | 130.7 Ų | 130.7 | 80% | 0.796 | 70% | 0.701 | S | S | * | * | cis | -155.9 | 133 | -16.8 | -110.7 | 161.4 | -150.5 | -125.1 | 0.7 | 104.7 | ||||
| 1483 | C | 30.1 | Very low | 34.3 | Very low | 112 Ų | 112 | 133.2 Ų | 133.2 | 76% | 0.757 | 71% | 0.707 | S | S | * | * | cis | 70.5 | 144.8 | 42.3 | -58.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1484 | C | 32.8 | Very low | 34.2 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | trans | 82.3 | 142.6 | 170 | -58.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1485 | N | 30.4 | Very low | 34.3 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | cis | -167.2 | -166.2 | -25.6 | -152.7 | 47.4 | 0 | 0 | 0 | 110.1 | ||||
| 1486 | D | 34.7 | Very low | 34.2 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 60% | 0.604 | 71% | 0.714 | S | S | * | * | trans | 86.1 | 92.6 | 145.5 | -60.5 | -38.6 | 0 | 0 | 0 | 121.9 | ||||
| 1487 | N | 33.6 | Very low | 34.2 | Very low | 128 Ų | 128 | 134 Ų | 134 | 68% | 0.684 | 72% | 0.717 | S | S | * | * | 80.5 | 150.4 | 113.1 | -54.8 | -27.9 | 0 | 0 | 0 | 123.7 | |||||
| 1488 | N | 33.4 | Very low | 34.2 | Very low | 135 Ų | 135 | 132.1 Ų | 132.1 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | trans | 78 | 99.3 | 147.8 | -73.3 | -4.7 | 0 | 0 | 0 | 122 | ||||
| 1489 | H | 34 | Very low | 34.4 | Very low | 161 Ų | 161 | 130.9 Ų | 130.9 | 75% | 0.745 | 73% | 0.727 | S | S | * | * | 68.8 | 135.9 | 110.2 | -93.8 | -77.3 | 0 | 0 | 0 | 122.6 | |||||
| 1490 | N | 35 | Very low | 34.4 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 65% | 0.652 | 73% | 0.727 | S | S | * | * | trans | 85.9 | 112.6 | 147.7 | -62.9 | -8.5 | 0 | 0 | 0 | 120.8 | ||||
| 1491 | N | 34.7 | Very low | 34.5 | Very low | 125 Ų | 125 | 129 Ų | 129 | 67% | 0.668 | 73% | 0.734 | S | S | * | * | 69.5 | 117.2 | 127.3 | -59.6 | -2.5 | 0 | 0 | 0 | 121.7 | |||||
| 1492 | N | 35.4 | Very low | 34.5 | Very low | 140 Ų | 140 | 129.5 Ų | 129.5 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | trans | 70.9 | 128.9 | 133.7 | -56.6 | -7.5 | 0 | 0 | 0 | 120.6 | ||||
| 1493 | N | 34.4 | Very low | 34.9 | Very low | 148 Ų | 148 | 124.3 Ų | 124.3 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | trans | 38.4 | 113.6 | 149 | -58.7 | -4.7 | 0 | 0 | 0 | 117.8 | ||||
| 1494 | T | 36.9 | Very low | 35 | Very low | 151 Ų | 151 | 126.9 Ų | 126.9 | 93% | 0.926 | 74% | 0.744 | S | S | * | * | -167 | 173.7 | 84.6 | 24 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1495 | G | 33.3 | Very low | 35.2 | Very low | 66 Ų | 66 | 125.3 Ų | 125.3 | 68% | 0.68 | 74% | 0.74 | S | S | * | * | trans | -100.8 | -167.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1496 | T | 35.5 | Very low | 35.3 | Very low | 133 Ų | 133 | 129.7 Ų | 129.7 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | trans | 75 | 99.3 | 170.7 | 63.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 1497 | N | 34.8 | Very low | 35.3 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | 61.5 | 128.8 | 125.3 | -64.1 | -11.7 | 0 | 0 | 0 | 123.5 | |||||
| 1498 | S | 35.8 | Very low | 35.4 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | 75.5 | 143.5 | 150.8 | 87.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1499 | S | 36.6 | Very low | 35.5 | Very low | 95 Ų | 95 | 130.4 Ų | 130.4 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | cis | -162.1 | 176.9 | 14.4 | 58.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1500 | L | 36.6 | Very low | 35.6 | Very low | 154 Ų | 154 | 128.6 Ų | 128.6 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | 75.1 | 129.6 | 151.3 | -77.1 | 160.3 | 0 | 0 | 0 | 122.3 | ||||
| 1501 | S | 35.7 | Very low | 35.7 | Very low | 94 Ų | 94 | 129 Ų | 129 | 66% | 0.657 | 80% | 0.799 | S | S | * | * | trans | 90 | 67.9 | 136.7 | -61.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1502 | S | 37.2 | Very low | 35.7 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | 77.6 | 178.9 | 119.1 | 82 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 1503 | P | 42.9 | Very low | 35.7 | Very low | 103 Ų | 103 | 128.5 Ų | 128.5 | 67% | 0.669 | 81% | 0.812 | S | S | * | * | -134.9 | -176.3 | -101.7 | 37.4 | -15.7 | 0 | 0 | 0 | 116.5 | |||||
| 1504 | L | 31.7 | Very low | 35.8 | Very low | 165 Ų | 165 | 127 Ų | 127 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | 77.5 | 145.1 | -177.8 | -71.6 | 77.1 | 0 | 0 | 0 | 115.4 | ||||
| 1505 | A | 35.4 | Very low | 35.8 | Very low | 88 Ų | 88 | 125 Ų | 125 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | cis | -168.1 | 149.4 | -21.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1506 | V | 33.6 | Very low | 36 | Very low | 222 Ų | 222 | 130.4 Ų | 130.4 | 100% | 1.345 | 82% | 0.815 | S | S | * | * | trans | -139.6 | 0 | 155 | -176.8 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 1,506 of 1,506 residues in 858.6 ms
(Link to these results)