| 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 | 28.9 | Very low | 31.4 | Very low | 212 Ų | 212 | 132.6 Ų | 132.6 | 100% | 1.044 | 77% | 0.765 | S | S | * | * | 0 | 129 | 0 | -59.3 | 176.4 | 87.8 | 0 | 0 | 108.8 | F97 | M1-F97 HydrophobicContact CE-CE1 4.35Š| |||
| 2 | I | 27.5 | Very low | 31.4 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 77% | 0.774 | 77% | 0.773 | S | S | * | * | trans | -103.1 | 132.3 | 162.1 | -63.3 | 173.7 | 0 | 0 | 0 | 105.8 | V4 | I2-V4 PolarHBondContact O-N 2.9Å; I2-V4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | P | 32.4 | Very low | 31.4 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | -76.5 | 101.7 | 178.1 | 30.2 | -32.5 | 0 | 0 | 0 | 110.2 | S5 | P3-S5 PolarHBondContact O-N 2.76Å; P3-S5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | V | 31.7 | Very low | 31.2 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | -77 | 91.4 | 169.2 | -176.4 | 0 | 0 | 0 | 0 | 108.4 | I2 I6 | I2-V4 PolarHBondContact O-N 2.9Å; I2-V4 VanDerWaalsContact O-N 3.16Å; V4-I6 HydrophobicContact CG1-CG1 4.03Å; V4-I6 PolarHBondContact O-N 2.9Å | ||
| 5 | S | 30.4 | Very low | 31.2 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -72.8 | 87.2 | 173.4 | -64.2 | 0 | 0 | 0 | 0 | 110.4 | P3 V7 | P3-S5 PolarHBondContact O-N 2.76Å; P3-S5 VanDerWaalsContact O-N 3.08Å; S5-V7 PolarHBondContact O-N 2.94Å | ||
| 6 | I | 32.1 | Very low | 31 | Very low | 112 Ų | 112 | 126.1 Ų | 126.1 | 57% | 0.574 | 76% | 0.757 | S | S | * | * | trans | -68.6 | 102.4 | 170.4 | -55.6 | -179.7 | 0 | 0 | 0 | 108.2 | V4 T8 | V4-I6 HydrophobicContact CG1-CG1 4.03Å; V4-I6 PolarHBondContact O-N 2.9Å; I6-T8 HydrophobicContact CG2-CG2 4.1Å | ||
| 7 | V | 31 | Very low | 31.1 | Very low | 129 Ų | 129 | 123.8 Ų | 123.8 | 78% | 0.782 | 74% | 0.736 | S | S | * | * | trans | -90.9 | 104.5 | 170.3 | 177.9 | 0 | 0 | 0 | 0 | 107.6 | S5 P9 | S5-V7 PolarHBondContact O-N 2.94Å; V7-P9 WeakPolarHBondContact O-CD 3.41Å | ||
| 8 | T | 32.5 | Very low | 31.1 | Very low | 94 Ų | 94 | 123.3 Ų | 123.3 | 58% | 0.577 | 73% | 0.728 | S | S | * | * | trans | -80 | 123 | 176.9 | 44.7 | 0 | 0 | 0 | 0 | 111.1 | I6 Q10 | I6-T8 HydrophobicContact CG2-CG2 4.1Å; T8-Q10 PolarHBondContact O-N 2.85Å | ||
| 9 | P | 32.4 | Very low | 31.1 | Very low | 122 Ų | 122 | 120.3 Ų | 120.3 | 79% | 0.792 | 73% | 0.726 | S | S | * | * | trans | -78.1 | 113.9 | 165.6 | 30.8 | -30 | 0 | 0 | 0 | 108.8 | V7 S11 | V7-P9 WeakPolarHBondContact O-CD 3.41Å; P9-S11 PolarHBondContact O-N 2.88Å | ||
| 10 | Q | 33.8 | Very low | 31.1 | Very low | 186 Ų | 186 | 122.8 Ų | 122.8 | 87% | 0.869 | 73% | 0.73 | S | S | * | * | trans | -69 | 123.2 | 173.6 | -76.6 | -174.8 | -32.1 | 0 | 0 | 110.5 | T8 | T8-Q10 PolarHBondContact O-N 2.85Š| ||
| 11 | S | 32.4 | Very low | 31.2 | Very low | 116 Ų | 116 | 124.5 Ų | 124.5 | 81% | 0.811 | 73% | 0.73 | S | S | * | * | trans | -78.1 | 133.6 | 167.7 | 43.3 | 0 | 0 | 0 | 0 | 110.4 | P9 | P9-S11 PolarHBondContact O-N 2.88Š| ||
| 12 | V | 31.9 | Very low | 31.2 | Very low | 142 Ų | 142 | 119.8 Ų | 119.8 | 86% | 0.861 | 72% | 0.718 | S | S | * | * | trans | -113.1 | 109.8 | 165 | 179.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 13 | S | 31.2 | Very low | 31.3 | Very low | 113 Ų | 113 | 117.5 Ų | 117.5 | 79% | 0.79 | 72% | 0.715 | S | S | * | * | trans | -82.6 | 157.1 | 177.4 | 43.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 14 | S | 28.1 | Very low | 31.2 | Very low | 116 Ų | 116 | 116.6 Ų | 116.6 | 81% | 0.811 | 71% | 0.712 | S | S | * | * | trans | -68.1 | 132.4 | -169 | -49.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 15 | A | 31 | Very low | 31 | Very low | 101 Ų | 101 | 118.4 Ų | 118.4 | 84% | 0.835 | 72% | 0.716 | S | S | * | * | trans | -111.8 | 104 | 149.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 16 | E | 29.2 | Very low | 30.9 | Very low | 87 Ų | 87 | 118.1 Ų | 118.1 | 41% | 0.407 | 71% | 0.714 | S | S | . | * | trans | -71.3 | 157.1 | 173.6 | -51.4 | -175.6 | 90.2 | 0 | 0 | 110.3 | N1070 K1072 | E16-N1070 PolarHBondContact OE2-ND2 3.5Å; E16-K1072 VanDerWaalsContact CD-NZ 3.32Å; E16-K1072 WeakPolarHBondContact OE1-CE 3.33Å; E16-K1072 IonicContact OE1-NZ 3.03Å; E16-K1072 PolarHBondContact OE1-NZ 3.22Å; E16-K1072 WeakPolarHBondContact OE2-CE 3.31Å; E16-K1072 IonicContact OE2-NZ 3.46Å | ||
| 17 | Q | 32.4 | Very low | 30.8 | Very low | 86 Ų | 86 | 119.7 Ų | 119.7 | 40% | 0.402 | 72% | 0.723 | S | S | . | * | 166.6 | 151.9 | 113.1 | -91.3 | -160.1 | -95.8 | 0 | 0 | 119.9 | K1072 S1073 | Q17-K1072 HydrophobicContact CG-CB 4.03Å; Q17-K1072 HydrophobicContact CG-CD 4.21Å; Q17-K1072 HydrophobicContact CG-CG 3.65Å; Q17-K1072 VanDerWaalsContact NE2-CB 3.28Å; Q17-K1072 PolarHBondContact NE2-O 3.03Å; Q17-K1072 VanDerWaalsContact OE1-CA 3.27Å; Q17-S1073 VanDerWaalsContact CD-CB 3.47Å; Q17-S1073 PolarHBondContact NE2-OG 3.26Å | |||
| 18 | I | 31.6 | Very low | 30.8 | Very low | 115 Ų | 115 | 120.9 Ų | 120.9 | 59% | 0.59 | 72% | 0.72 | S | S | * | * | trans | 58.5 | 145 | 158.9 | -57.2 | 150.8 | 0 | 0 | 0 | 116.7 | ||||
| 19 | G | 30.9 | Very low | 30.6 | Very low | 67 Ų | 67 | 122.7 Ų | 122.7 | 69% | 0.691 | 73% | 0.726 | S | S | * | * | trans | 141.5 | 42.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 20 | E | 30.7 | Very low | 30.5 | Very low | 170 Ų | 170 | 122.4 Ų | 122.4 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | trans | 32.7 | 131.1 | 148.3 | -73.9 | -174.7 | -173.7 | 0 | 0 | 123.4 | ||||
| 21 | H | 32.4 | Very low | 30.4 | Very low | 159 Ų | 159 | 119.4 Ų | 119.4 | 74% | 0.736 | 72% | 0.719 | S | S | * | * | trans | 67.3 | 119.1 | 138.3 | -71.7 | -58.9 | 0 | 0 | 0 | 123 | ||||
| 22 | S | 30.1 | Very low | 30.3 | Very low | 113 Ų | 113 | 120.4 Ų | 120.4 | 79% | 0.79 | 72% | 0.719 | S | S | * | * | trans | 80.1 | 145.7 | 133.7 | 76.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 23 | S | 28.9 | Very low | 30.1 | Very low | 102 Ų | 102 | 121.1 Ų | 121.1 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | cis | -167.5 | 160.7 | -21.6 | 52.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 24 | S | 29.6 | Very low | 30 | Very low | 95 Ų | 95 | 122.4 Ų | 122.4 | 66% | 0.664 | 71% | 0.707 | S | S | * | * | trans | 84.5 | 140.3 | 142.7 | 83.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 25 | L | 29 | Very low | 30 | Very low | 158 Ų | 158 | 123 Ų | 123 | 83% | 0.827 | 70% | 0.701 | S | S | * | * | trans | 69.2 | 134.2 | 152.8 | -62.4 | 160.1 | 0 | 0 | 0 | 119.3 | ||||
| 26 | S | 27.7 | Very low | 29.8 | Very low | 97 Ų | 97 | 122.4 Ų | 122.4 | 68% | 0.678 | 69% | 0.691 | S | S | * | * | cis | 154.4 | 165.9 | -31.1 | -84.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 27 | L | 31 | Very low | 29.7 | Very low | 145 Ų | 145 | 124.3 Ų | 124.3 | 76% | 0.759 | 71% | 0.708 | S | S | * | * | trans | 94.1 | 106.3 | 174 | -53.5 | 170.1 | 0 | 0 | 0 | 114.1 | ||||
| 28 | Q | 29.4 | Very low | 29.3 | Very low | 155 Ų | 155 | 124.9 Ų | 124.9 | 72% | 0.724 | 72% | 0.721 | S | S | * | * | 77.1 | 132.1 | 64.9 | -75.8 | -174.1 | -19.2 | 0 | 0 | 112.1 | |||||
| 29 | N | 29.2 | Very low | 28.9 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | cis | -177.9 | 166.5 | 37.8 | -121.1 | -10.3 | 0 | 0 | 0 | 113.2 | ||||
| 30 | V | 30.4 | Very low | 28.8 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 70% | 0.697 | 74% | 0.743 | S | S | * | * | trans | 73.5 | 117.6 | 154.5 | 175.9 | 0 | 0 | 0 | 0 | 121.3 | V32 | V30-V32 HydrophobicContact CG1-CG2 4.23Š| ||
| 31 | P | 30.9 | Very low | 28.5 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 81% | 0.805 | 74% | 0.743 | S | S | * | * | trans | -106.5 | 160.9 | 156.4 | 38.9 | -30.6 | 0 | 0 | 0 | 113.2 | ||||
| 32 | V | 31.6 | Very low | 28.4 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | trans | -141.8 | 160.7 | 171.6 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | V30 | V30-V32 HydrophobicContact CG1-CG2 4.23Š| ||
| 33 | Q | 27.6 | Very low | 28.2 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | -106.4 | 174.8 | -159.7 | -56.7 | 159.5 | -103.5 | 0 | 0 | 115.4 | ||||
| 34 | Q | 27.3 | Very low | 28.3 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 66% | 0.659 | 76% | 0.757 | S | S | * | * | 101.8 | 144 | 128.9 | -100.9 | 164.9 | -69 | 0 | 0 | 123.2 | |||||
| 35 | D | 29.9 | Very low | 28.1 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | trans | 67.3 | 133.3 | 151.5 | -65.2 | -42.7 | 0 | 0 | 0 | 122.7 | ||||
| 36 | S | 25.3 | Very low | 28.2 | Very low | 90 Ų | 90 | 137.5 Ų | 137.5 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | cis | 163.7 | 170 | -26.2 | 47.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 37 | V | 26.8 | Very low | 28.1 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | 79 | 127.6 | 158.5 | -134.8 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 38 | S | 25.5 | Very low | 28.1 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | trans | 76.7 | 109.9 | 141.3 | 46.4 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 39 | Y | 23.5 | Very low | 28 | Very low | 221 Ų | 221 | 140.4 Ų | 140.4 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | 30.7 | 131.4 | 117.2 | -76.5 | -87.3 | 0 | 0 | 0 | 122.5 | |||||
| 40 | L | 28.6 | Very low | 28.1 | Very low | 166 Ų | 166 | 141.6 Ų | 141.6 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | -173.1 | 154.6 | 107.1 | -104.2 | 163.4 | 0 | 0 | 0 | 114.1 | |||||
| 41 | N | 24.6 | Very low | 27.9 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | -100.2 | 154 | 176.9 | -78.4 | -30.1 | 0 | 0 | 0 | 112.1 | ||||
| 42 | S | 30 | Very low | 27.8 | Very low | 121 Ų | 121 | 141.9 Ų | 141.9 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -165.6 | 147.2 | 143.6 | 41.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 43 | H | 26.5 | Very low | 27.7 | Very low | 185 Ų | 185 | 142.3 Ų | 142.3 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | trans | -93.2 | 150.3 | 171.5 | -82.7 | -109.4 | 0 | 0 | 0 | 111 | ||||
| 44 | T | 29.8 | Very low | 27.6 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | trans | -149.3 | 129.6 | 146.8 | -38.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 45 | T | 25.5 | Very low | 27.9 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -108 | 145.2 | 168.3 | 38.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 46 | V | 30.9 | Very low | 27.8 | Very low | 136 Ų | 136 | 141.4 Ų | 141.4 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -132.1 | 128.4 | 171 | -179.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 47 | H | 26.2 | Very low | 27.7 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | -107.6 | 133.5 | 178.8 | -132.5 | -85.6 | 0 | 0 | 0 | 108 | ||||
| 48 | M | 30.6 | Very low | 27.7 | Very low | 175 Ų | 175 | 143.8 Ų | 143.8 | 86% | 0.862 | 80% | 0.795 | S | S | * | * | trans | -149.3 | 158.3 | 154.5 | -87.4 | -49.9 | 152.4 | 0 | 0 | 111.2 | ||||
| 49 | N | 26.4 | Very low | 27.7 | Very low | 119 Ų | 119 | 149.2 Ų | 149.2 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | trans | -92.3 | -174.8 | -158.5 | -59.8 | -24.4 | 0 | 0 | 0 | 114.7 | ||||
| 50 | D | 31.6 | Very low | 28 | Very low | 157 Ų | 157 | 146.2 Ų | 146.2 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | 78.3 | 113.9 | 147.2 | -57.7 | -38.4 | 0 | 0 | 0 | 119.9 | ||||
| 51 | G | 27.3 | Very low | 27.9 | Very low | 66 Ų | 66 | 143.6 Ų | 143.6 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | 108.6 | 101.7 | 103.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 52 | Q | 27.5 | Very low | 28.3 | Very low | 178 Ų | 178 | 142.1 Ų | 142.1 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | 75.9 | 158.5 | 146.9 | -51.2 | -173.2 | -6.8 | 0 | 0 | 120.2 | ||||
| 53 | N | 30.6 | Very low | 28.3 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | 78.3 | 95.2 | 158.1 | -55.4 | -33.1 | 0 | 0 | 0 | 120.3 | ||||
| 54 | E | 24.8 | Very low | 28.2 | Very low | 183 Ų | 183 | 142.4 Ų | 142.4 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -57.2 | 171.3 | 137.4 | -98.1 | -162.3 | -147.2 | 0 | 0 | 112.5 | ||||
| 55 | P | 33.1 | Very low | 28.2 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 66% | 0.656 | 78% | 0.777 | S | S | * | * | cis | -139.3 | -145.1 | -27.3 | 38.8 | -19.2 | 0 | 0 | 0 | 111 | ||||
| 56 | S | 28.2 | Very low | 28.1 | Very low | 123 Ų | 123 | 147.7 Ų | 147.7 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | 96.5 | 161.4 | 156.2 | 82.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 57 | S | 23.4 | Very low | 28 | Very low | 105 Ų | 105 | 148.4 Ų | 148.4 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -118.3 | 150.1 | -160.2 | 50.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 58 | I | 27.8 | Very low | 28 | Very low | 160 Ų | 160 | 147.3 Ų | 147.3 | 82% | 0.821 | 77% | 0.772 | S | S | * | * | trans | -125 | 117.7 | 168.1 | -60.2 | 179.4 | 0 | 0 | 0 | 108.8 | ||||
| 59 | Y | 24.3 | Very low | 27.9 | Very low | 213 Ų | 213 | 143.6 Ų | 143.6 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | trans | -94.2 | 150.1 | 158.3 | -97.3 | -95.9 | 0 | 0 | 0 | 108.1 | ||||
| 60 | L | 30.7 | Very low | 28 | Very low | 158 Ų | 158 | 142.7 Ų | 142.7 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | trans | -132.3 | 139.8 | 159.3 | -91.8 | 167.5 | 0 | 0 | 0 | 109.6 | ||||
| 61 | T | 25.9 | Very low | 27.8 | Very low | 110 Ų | 110 | 144 Ų | 144 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | trans | -107 | 170.1 | 174.6 | 48 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 62 | D | 32.1 | Very low | 28.1 | Very low | 118 Ų | 118 | 146.5 Ų | 146.5 | 63% | 0.631 | 77% | 0.769 | S | S | * | * | 177.1 | 140.8 | 112.9 | -88.3 | -14 | 0 | 0 | 0 | 114.8 | |||||
| 63 | Q | 30.7 | Very low | 28.2 | Very low | 151 Ų | 151 | 144.1 Ų | 144.1 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | 54.3 | 108.1 | 130.9 | -59.6 | 167.7 | 40.8 | 0 | 0 | 118.6 | ||||
| 64 | E | 25.1 | Very low | 28.1 | Very low | 161 Ų | 161 | 142 Ų | 142 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | 71.7 | 114.7 | 82.9 | -80.4 | -151.5 | 123.9 | 0 | 0 | 114.7 | |||||
| 65 | L | 29.3 | Very low | 28.1 | Very low | 177 Ų | 177 | 139.4 Ų | 139.4 | 93% | 0.927 | 76% | 0.757 | S | S | * | * | trans | -158.1 | 162 | 135.6 | -108.9 | 166 | 0 | 0 | 0 | 110.2 | ||||
| 66 | R | 24.2 | Very low | 27.7 | Very low | 201 Ų | 201 | 143.1 Ų | 143.1 | 76% | 0.758 | 77% | 0.771 | S | S | * | * | trans | -110 | -175.9 | -166.4 | -77.4 | 173.8 | 142.9 | 104.4 | -8.4 | 112.6 | ||||
| 67 | L | 29.2 | Very low | 27.6 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | 92.8 | 141 | 161.1 | -51.2 | 166.5 | 0 | 0 | 0 | 115.6 | ||||
| 68 | D | 26 | Very low | 27.7 | Very low | 140 Ų | 140 | 143 Ų | 143 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | cis | -162.5 | 170.6 | -36 | -136.3 | -43 | 0 | 0 | 0 | 111.1 | ||||
| 69 | S | 28 | Very low | 27.7 | Very low | 98 Ų | 98 | 141 Ų | 141 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | trans | 59.3 | 137.4 | 163.5 | 69.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 70 | S | 27.6 | Very low | 27.8 | Very low | 99 Ų | 99 | 140.9 Ų | 140.9 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | trans | 70 | 96.8 | 151.4 | 40.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 71 | F | 27.3 | Very low | 27.5 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | 16.3 | 150.4 | 124.5 | -59 | -74.6 | 0 | 0 | 0 | 120.7 | |||||
| 72 | P | 34.4 | Very low | 27.9 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | cis | -129.3 | -144.1 | 15.8 | 27.4 | -2.5 | 0 | 0 | 0 | 112.5 | ||||
| 73 | N | 29.5 | Very low | 27.6 | Very low | 127 Ų | 127 | 142 Ų | 142 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | -152.3 | 148.9 | -81.2 | -83.8 | -3.5 | 0 | 0 | 0 | 107.9 | |||||
| 74 | S | 28 | Very low | 27.4 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | cis | -150.9 | 130.4 | -11.5 | -78.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 75 | P | 26.1 | Very low | 27.5 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | trans | -96.9 | 177.3 | -175.3 | 38.3 | -37.1 | 0 | 0 | 0 | 114.6 | ||||
| 76 | L | 24.5 | Very low | 27.5 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 94% | 0.937 | 74% | 0.744 | S | S | * | * | trans | -33.5 | 143.1 | 161.7 | -69.2 | 143.9 | 0 | 0 | 0 | 115.1 | ||||
| 77 | G | 25.6 | Very low | 27.7 | Very low | 63 Ų | 63 | 133 Ų | 133 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | trans | -178.7 | 147.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 78 | I | 25.3 | Very low | 27.7 | Very low | 163 Ų | 163 | 129.4 Ų | 129.4 | 84% | 0.836 | 75% | 0.745 | S | S | * | * | trans | 72.4 | 124.8 | 144 | -59 | 165.4 | 0 | 0 | 0 | 116.8 | ||||
| 79 | T | 27.7 | Very low | 27.8 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 72% | 0.724 | 75% | 0.749 | S | S | * | * | cis | -159.8 | 151.9 | -13.9 | 21.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 80 | R | 26.4 | Very low | 28 | Very low | 211 Ų | 211 | 134.6 Ų | 134.6 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | trans | 8.4 | 132.3 | 141 | -78.8 | -172.7 | 166.3 | 117.9 | -0.5 | 120.6 | ||||
| 81 | D | 25.5 | Very low | 28.2 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | 62.3 | 153.2 | 127.7 | -56.9 | -38.4 | 0 | 0 | 0 | 120.9 | |||||
| 82 | P | 32.8 | Very low | 28.4 | Very low | 107 Ų | 107 | 134 Ų | 134 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | cis | -139.3 | -165.6 | -37.4 | 39.4 | -22 | 0 | 0 | 0 | 112.5 | ||||
| 83 | H | 27.4 | Very low | 28.3 | Very low | 169 Ų | 169 | 139 Ų | 139 | 78% | 0.782 | 75% | 0.751 | S | S | * | * | trans | 81.1 | 128.5 | 153.5 | -108.9 | -76 | 0 | 0 | 0 | 120.5 | ||||
| 84 | C | 25.1 | Very low | 28.6 | Very low | 85 Ų | 85 | 137.6 Ų | 137.6 | 57% | 0.574 | 74% | 0.742 | S | S | * | * | trans | 77.1 | 123.3 | 140.5 | -90.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 85 | D | 28 | Very low | 29.1 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | trans | 91.1 | 126.6 | 131.4 | -51.4 | -16.2 | 0 | 0 | 0 | 121.7 | ||||
| 86 | D | 29.1 | Very low | 29.5 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | trans | 73.9 | 116.1 | 141.2 | -76.4 | 24.8 | 0 | 0 | 0 | 124.1 | ||||
| 87 | N | 28.4 | Very low | 30.1 | Very low | 149 Ų | 149 | 133 Ų | 133 | 80% | 0.797 | 71% | 0.709 | S | S | * | * | trans | 64.4 | 112.7 | 131.2 | -52.2 | -30.9 | 0 | 0 | 0 | 119.5 | ||||
| 88 | G | 29.4 | Very low | 31 | Very low | 77 Ų | 77 | 133.1 Ų | 133.1 | 79% | 0.794 | 69% | 0.693 | S | S | * | * | trans | 175.8 | 130 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 89 | E | 28.3 | Very low | 31.6 | Very low | 175 Ų | 175 | 129.6 Ų | 129.6 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | trans | -56.4 | 134.5 | -175.9 | -59.2 | 151.5 | 124.6 | 0 | 0 | 114.5 | ||||
| 90 | E | 30.8 | Very low | 32.3 | Very low | 172 Ų | 172 | 128.3 Ų | 128.3 | 80% | 0.804 | 66% | 0.663 | S | S | * | * | trans | -139.3 | 88.1 | 150.8 | -163.2 | 169.5 | -157.2 | 0 | 0 | 109.6 | ||||
| 91 | Q | 32.9 | Very low | 33 | Very low | 137 Ų | 137 | 120.9 Ų | 120.9 | 64% | 0.64 | 64% | 0.643 | S | S | * | * | trans | -82.3 | 150.6 | 173.9 | -66.9 | 179.7 | -3.6 | 0 | 0 | 111 | ||||
| 92 | N | 30.6 | Very low | 33.7 | Very low | 134 Ų | 134 | 117.5 Ų | 117.5 | 72% | 0.717 | 62% | 0.621 | S | S | * | * | trans | 54.7 | 67 | 156.3 | -61.1 | -19 | 0 | 0 | 0 | 117.5 | ||||
| 93 | R | 33.7 | Very low | 34 | Very low | 224 Ų | 224 | 116.2 Ų | 116.2 | 85% | 0.845 | 61% | 0.607 | S | S | * | * | trans | -117.3 | 88.8 | 146.6 | -77.1 | -171.2 | 169.3 | -170 | -2.5 | 110.8 | S95 | R93-S95 PolarHBondContact O-N 2.91Š| ||
| 94 | I | 35.7 | Very low | 34.8 | Very low | 97 Ų | 97 | 113.6 Ų | 113.6 | 50% | 0.497 | 60% | 0.598 | S | S | . | * | trans | -57 | 126.5 | 165.9 | -55.3 | 175.8 | 0 | 0 | 0 | 107.1 | E98 L99 | I94-E98 HydrophobicContact CG2-CB 3.95Å; I94-E98 HydrophobicContact CG2-CG 4.21Å; I94-L99 HydrophobicContact CG2-CB 4.02Å; I94-L99 HydrophobicContact CG2-CD1 4.47Å | ||
| 95 | S | 38 | Very low | 35.4 | Very low | 63 Ų | 63 | 115.3 Ų | 115.3 | 44% | 0.441 | 60% | 0.601 | S | S | . | * | trans | -64.4 | 148.7 | 176.4 | 73.3 | 0 | 0 | 0 | 0 | 110.1 | R93 F97 E98 L99 | R93-S95 PolarHBondContact O-N 2.91Å; S95-F97 PolarHBondContact O-N 3.23Å; S95-E98 PolarHBondContact O-N 3.17Å; S95-E98 PolarHBondContact OG-N 3.44Å; S95-E98 VanDerWaalsContact OG-N 3.09Å; S95-L99 PolarHBondContact O-N 3.2Å | ||
| 96 | S | 35 | Very low | 36.1 | Very low | 95 Ų | 95 | 111.7 Ų | 111.7 | 66% | 0.664 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -53.1 | -31.2 | 175.8 | -38.9 | 0 | 0 | 0 | 0 | 112 | I100 | S96-I100 WeakPolarHBondContact O-CB 3.37Å; S96-I100 WeakPolarHBondContact O-CD1 3.47Å; S96-I100 WeakPolarHBondContact O-CG1 3.43Å; S96-I100 PolarHBondContact O-N 3.12Å |
| 97 | F | 37 | Very low | 36.5 | Very low | 153 Ų | 153 | 111.7 Ų | 111.7 | 67% | 0.671 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69.7 | -42.5 | 176.9 | -126.6 | -85.7 | 0 | 0 | 0 | 113.4 | M1 S95 I100 S101 | M1-F97 HydrophobicContact CE-CE1 4.35Å; S95-F97 PolarHBondContact O-N 3.23Å; F97-I100 PolarHBondContact O-N 2.92Å; F97-S101 PolarHBondContact O-N 3.04Å |
| 98 | E | 45 | Very low | 36.6 | Very low | 67 Ų | 67 | 107.2 Ų | 107.2 | 31% | 0.313 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -75.6 | -31.4 | 176.7 | -173.6 | 170.6 | 178.1 | 0 | 0 | 111.8 | I94 S95 S101 R102 | I94-E98 HydrophobicContact CG2-CB 3.95Å; I94-E98 HydrophobicContact CG2-CG 4.21Å; S95-E98 PolarHBondContact O-N 3.17Å; S95-E98 PolarHBondContact OG-N 3.44Å; S95-E98 VanDerWaalsContact OG-N 3.09Å; E98-S101 PolarHBondContact O-N 2.95Å; E98-R102 WeakPolarHBondContact O-CB 3.49Å; E98-R102 WeakPolarHBondContact O-CG 3.25Å; E98-R102 PolarHBondContact O-N 3.1Å; E98-R102 IonicContact OE1-CZ 3.54Å; E98-R102 IonicContact OE1-NE 3.16Å; E98-R102 PolarHBondContact OE1-NE 2.89Å; E98-R102 VanDerWaalsContact OE1-NE 3.16Å; E98-R102 IonicContact OE1-NH2 3.05Å; E98-R102 PolarHBondContact OE1-NH2 3.16Å |
| 99 | L | 37.4 | Very low | 36.6 | Very low | 88 Ų | 88 | 111 Ų | 111 | 46% | 0.461 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.3 | -45.6 | 169.9 | -165.5 | 114.3 | 0 | 0 | 0 | 110.8 | I94 S95 R102 L103 | I94-L99 HydrophobicContact CG2-CB 4.02Å; I94-L99 HydrophobicContact CG2-CD1 4.47Å; S95-L99 PolarHBondContact O-N 3.2Å; L99-R102 PolarHBondContact O-N 3.15Å; L99-L103 HydrophobicContact CD2-CD1 3.77Å; L99-L103 HydrophobicContact CG-CD1 4.22Å; L99-L103 WeakPolarHBondContact O-CB 3.15Å; L99-L103 VanDerWaalsContact O-CG 3.25Å; L99-L103 WeakPolarHBondContact O-CG 3.06Å; L99-L103 PolarHBondContact O-N 2.9Å |
| 100 | I | 42.9 | Very low | 36.7 | Very low | 91 Ų | 91 | 108.3 Ų | 108.3 | 47% | 0.467 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.6 | -44.3 | 173.2 | -74.2 | 164.6 | 0 | 0 | 0 | 111.2 | S96 F97 R102 L103 I104 | S96-I100 WeakPolarHBondContact O-CB 3.37Å; S96-I100 WeakPolarHBondContact O-CD1 3.47Å; S96-I100 WeakPolarHBondContact O-CG1 3.43Å; S96-I100 PolarHBondContact O-N 3.12Å; F97-I100 PolarHBondContact O-N 2.92Å; I100-R102 PolarHBondContact O-N 3.13Å; I100-L103 CarbonylContact O-C 3.57Å; I100-L103 PolarHBondContact O-N 3.11Å; I100-I104 HydrophobicContact CG2-CD1 3.7Å; I100-I104 HydrophobicContact CG2-CG1 4.42Å; I100-I104 VanDerWaalsContact O-CG1 3.3Å; I100-I104 WeakPolarHBondContact O-CG1 3.18Å; I100-I104 PolarHBondContact O-N 3.19Å |
| 101 | S | 39.6 | Very low | 36.8 | Very low | 56 Ų | 56 | 108.2 Ų | 108.2 | 39% | 0.392 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.4 | -45.7 | 178.1 | -159.7 | 0 | 0 | 0 | 0 | 111.6 | F97 E98 L103 I104 D105 | F97-S101 PolarHBondContact O-N 3.04Å; E98-S101 PolarHBondContact O-N 2.95Å; S101-L103 VanDerWaalsContact C-N 3.33Å; S101-L103 PolarHBondContact O-N 3.23Å; S101-I104 PolarHBondContact O-N 3.07Å; S101-I104 VanDerWaalsContact O-N 3.12Å; S101-D105 PolarHBondContact O-N 3.27Å |
| 102 | R | 40.5 | Very low | 36.6 | Very low | 63 Ų | 63 | 109.7 Ų | 109.7 | 24% | 0.238 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -68.2 | -29.5 | 177.6 | -70.1 | 175.4 | -178 | -97.7 | -10.4 | 113 | E98 L99 I100 A106 L816 I817 | E98-R102 WeakPolarHBondContact O-CB 3.49Å; E98-R102 WeakPolarHBondContact O-CG 3.25Å; E98-R102 PolarHBondContact O-N 3.1Å; E98-R102 IonicContact OE1-CZ 3.54Å; E98-R102 IonicContact OE1-NE 3.16Å; E98-R102 PolarHBondContact OE1-NE 2.89Å; E98-R102 VanDerWaalsContact OE1-NE 3.16Å; E98-R102 IonicContact OE1-NH2 3.05Å; E98-R102 PolarHBondContact OE1-NH2 3.16Å; L99-R102 PolarHBondContact O-N 3.15Å; I100-R102 PolarHBondContact O-N 3.13Å; R102-A106 WeakPolarHBondContact O-CB 3.24Å; R102-A106 PolarHBondContact O-N 3.48Å; R102-L816 PolarHBondContact NH1-O 2.97Å; R102-L816 PolarHBondContact NH2-O 2.79Å; R102-I817 VanDerWaalsContact NH1-CD1 3.3Å |
| 103 | L | 39 | Very low | 36.4 | Very low | 79 Ų | 79 | 106.6 Ų | 106.6 | 41% | 0.414 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -76.9 | -18.1 | 171.1 | -71.9 | 169.7 | 0 | 0 | 0 | 113.6 | L99 I100 S101 I110 | L99-L103 HydrophobicContact CD2-CD1 3.77Å; L99-L103 HydrophobicContact CG-CD1 4.22Å; L99-L103 WeakPolarHBondContact O-CB 3.15Å; L99-L103 VanDerWaalsContact O-CG 3.25Å; L99-L103 WeakPolarHBondContact O-CG 3.06Å; L99-L103 PolarHBondContact O-N 2.9Å; I100-L103 CarbonylContact O-C 3.57Å; I100-L103 PolarHBondContact O-N 3.11Å; S101-L103 VanDerWaalsContact C-N 3.33Å; S101-L103 PolarHBondContact O-N 3.23Å; L103-I110 HydrophobicContact CD2-CD1 4.37Å |
| 104 | I | 43.7 | Very low | 36.1 | Very low | 114 Ų | 114 | 104.2 Ų | 104.2 | 59% | 0.585 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -82 | -36.6 | 170.7 | -71.8 | 165.8 | 0 | 0 | 0 | 110.3 | I100 S101 A106 | I100-I104 HydrophobicContact CG2-CD1 3.7Å; I100-I104 HydrophobicContact CG2-CG1 4.42Å; I100-I104 VanDerWaalsContact O-CG1 3.3Å; I100-I104 WeakPolarHBondContact O-CG1 3.18Å; I100-I104 PolarHBondContact O-N 3.19Å; S101-I104 PolarHBondContact O-N 3.07Å; S101-I104 VanDerWaalsContact O-N 3.12Å; I104-A106 VanDerWaalsContact C-N 3.34Å |
| 105 | D | 39.4 | Very low | 35.6 | Very low | 122 Ų | 122 | 107.2 Ų | 107.2 | 65% | 0.652 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -73.3 | -24.2 | 173.4 | -67 | -39 | 0 | 0 | 0 | 112.9 | S101 | S101-D105 PolarHBondContact O-N 3.27Å |
| 106 | A | 41.6 | Very low | 35 | Very low | 58 Ų | 58 | 109.3 Ų | 109.3 | 48% | 0.479 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -113.8 | 91.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | R102 I104 | R102-A106 WeakPolarHBondContact O-CB 3.24Å; R102-A106 PolarHBondContact O-N 3.48Å; I104-A106 VanDerWaalsContact C-N 3.34Å |
| 107 | E | 38.4 | Very low | 34.5 | Very low | 131 Ų | 131 | 110.2 Ų | 110.2 | 61% | 0.612 | 60% | 0.603 | S | S | * | * | trans | 69.6 | 120.2 | 168.5 | -51.8 | -156 | 136.7 | 0 | 0 | 118.3 | L109 | E107-L109 VanDerWaalsContact C-N 3.29Å; E107-L109 PolarHBondContact O-N 2.69Å | ||
| 108 | G | 30 | Very low | 34 | Very low | 56 Ų | 56 | 107.7 Ų | 107.7 | 58% | 0.577 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -80.3 | 52.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | K1362 | G108-K1362 PolarHBondContact O-NZ 2.97Š|
| 109 | L | 28.8 | Very low | 33.2 | Very low | 155 Ų | 155 | 109.1 Ų | 109.1 | 81% | 0.812 | 62% | 0.621 | S | S | * | * | trans | -123.7 | 11 | -173.6 | -85.4 | 175.9 | 0 | 0 | 0 | 116.8 | E107 | E107-L109 VanDerWaalsContact C-N 3.29Å; E107-L109 PolarHBondContact O-N 2.69Å | ||
| 110 | I | 31 | Very low | 32.6 | Very low | 119 Ų | 119 | 113.1 Ų | 113.1 | 61% | 0.61 | 64% | 0.642 | S | S | * | * | trans | -122.1 | 98.5 | 174.7 | -52 | 178.3 | 0 | 0 | 0 | 112.4 | L103 L112 | L103-I110 HydrophobicContact CD2-CD1 4.37Å; I110-L112 HydrophobicContact CG2-CG 4.4Å | ||
| 111 | E | 31.7 | Very low | 32 | Very low | 171 Ų | 171 | 114 Ų | 114 | 80% | 0.799 | 66% | 0.656 | S | S | * | * | trans | -122.5 | 90 | 148.2 | -90.7 | -174.1 | 169.5 | 0 | 0 | 108 | ||||
| 112 | L | 29.6 | Very low | 31.5 | Very low | 168 Ų | 168 | 116 Ų | 116 | 88% | 0.88 | 68% | 0.677 | S | S | * | * | trans | -74.3 | 121.7 | 162.7 | -76 | 167.1 | 0 | 0 | 0 | 107.8 | I110 | I110-L112 HydrophobicContact CG2-CG 4.4Š| ||
| 113 | G | 27.2 | Very low | 31 | Very low | 68 Ų | 68 | 118.9 Ų | 118.9 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | trans | 178 | -15.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 114 | Y | 26 | Very low | 30.4 | Very low | 175 Ų | 175 | 119.7 Ų | 119.7 | 69% | 0.686 | 72% | 0.722 | S | S | * | * | trans | -145.6 | 120.6 | 171.1 | -117.2 | -88.4 | 0 | 0 | 0 | 112.5 | H1421 | Y114-H1421 AromaticContact CE2-CE1 3.34Å; Y114-H1421 WeakPolarHBondContact CE2-CE1 3.45Å; Y114-H1421 AromaticContact CE2-NE2 3.51Å; Y114-H1421 AromaticContact CZ-CE1 3.67Å; Y114-H1421 AromaticContact CZ-NE2 3.75Å; Y114-H1421 PolarHBondContact OH-CE1 3.16Å | ||
| 115 | I | 24.8 | Very low | 29.6 | Very low | 160 Ų | 160 | 121.1 Ų | 121.1 | 82% | 0.821 | 73% | 0.729 | S | S | * | * | trans | -115.9 | 98.8 | 172.4 | -59.3 | 175 | 0 | 0 | 0 | 107.8 | S117 | I115-S117 PolarHBondContact O-N 2.96Š| ||
| 116 | P | 26.6 | Very low | 29.1 | Very low | 107 Ų | 107 | 121.7 Ų | 121.7 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | trans | -73.7 | 114.7 | 163.5 | -8.5 | 26 | 0 | 0 | 0 | 108.4 | S118 | P116-S118 PolarHBondContact O-N 3.22Å; P116-S118 VanDerWaalsContact O-N 3.07Å | ||
| 117 | S | 23.4 | Very low | 28.4 | Very low | 114 Ų | 114 | 125 Ų | 125 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | trans | -76.2 | 90 | -175.4 | 44.1 | 0 | 0 | 0 | 0 | 113.1 | I115 | I115-S117 PolarHBondContact O-N 2.96Š| ||
| 118 | S | 26.5 | Very low | 27.8 | Very low | 99 Ų | 99 | 121.8 Ų | 121.8 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | trans | -174.9 | 164.5 | 156.2 | 38.3 | 0 | 0 | 0 | 0 | 113.4 | P116 | P116-S118 PolarHBondContact O-N 3.22Å; P116-S118 VanDerWaalsContact O-N 3.07Å | ||
| 119 | C | 28.3 | Very low | 27.8 | Very low | 98 Ų | 98 | 124.5 Ų | 124.5 | 66% | 0.662 | 75% | 0.752 | S | S | * | * | trans | 73.2 | 68.9 | 170.9 | -58.6 | 0 | 0 | 0 | 0 | 117.9 | S121 | C119-S121 PolarHBondContact O-N 3.39Š| ||
| 120 | N | 25.1 | Very low | 27.9 | Very low | 172 Ų | 172 | 123.4 Ų | 123.4 | 92% | 0.92 | 75% | 0.746 | S | S | * | * | trans | -73.7 | 113.2 | 157 | -74.6 | -25.7 | 0 | 0 | 0 | 110.9 | ||||
| 121 | S | 30.8 | Very low | 27.9 | Very low | 108 Ų | 108 | 122 Ų | 122 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | -171.4 | 82.9 | 158 | 60.1 | 0 | 0 | 0 | 0 | 115.5 | C119 | C119-S121 PolarHBondContact O-N 3.39Š| ||
| 122 | A | 30.1 | Very low | 27.9 | Very low | 100 Ų | 100 | 120.9 Ų | 120.9 | 83% | 0.826 | 75% | 0.746 | S | S | * | * | trans | 57.2 | 174.7 | 147.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 123 | P | 29.8 | Very low | 28 | Very low | 122 Ų | 122 | 117.3 Ų | 117.3 | 79% | 0.792 | 73% | 0.728 | S | S | * | * | cis | -112.4 | 177.2 | -19.5 | 18.8 | 3.9 | 0 | 0 | 0 | 112.9 | ||||
| 124 | A | 25.6 | Very low | 28.2 | Very low | 97 Ų | 97 | 122 Ų | 122 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | trans | -69.3 | 158 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 125 | I | 27.3 | Very low | 28.5 | Very low | 143 Ų | 143 | 122.3 Ų | 122.3 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | trans | -124.6 | 152.6 | 160.7 | -68.6 | 180 | 0 | 0 | 0 | 107.1 | ||||
| 126 | D | 27.9 | Very low | 28.7 | Very low | 135 Ų | 135 | 119.9 Ų | 119.9 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | trans | -59.8 | 150.9 | -161.5 | -152.5 | -11.1 | 0 | 0 | 0 | 115.7 | A128 | D126-A128 VanDerWaalsContact C-N 3.33Å; D126-A128 HydrophobicContact CB-CB 4.48Å | ||
| 127 | V | 26.8 | Very low | 28.8 | Very low | 126 Ų | 126 | 120.3 Ų | 120.3 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -102.2 | 33.6 | -179.5 | -163.6 | 0 | 0 | 0 | 0 | 110.1 | ||
| 128 | A | 27.5 | Very low | 28.9 | Very low | 65 Ų | 65 | 119.6 Ų | 119.6 | 54% | 0.537 | 73% | 0.728 | S | S | . | * | trans | -116.8 | 28.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D126 | D126-A128 VanDerWaalsContact C-N 3.33Å; D126-A128 HydrophobicContact CB-CB 4.48Å | ||
| 129 | S | 29.4 | Very low | 29 | Very low | 113 Ų | 113 | 122 Ų | 122 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -143.6 | 29.5 | 177.9 | -51.6 | 0 | 0 | 0 | 0 | 113.1 | ||
| 130 | L | 31.2 | Very low | 28.9 | Very low | 132 Ų | 132 | 122.3 Ų | 122.3 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | trans | -114 | 10.5 | 176.8 | -81.7 | 163.3 | 0 | 0 | 0 | 112.6 | D132 | L130-D132 VanDerWaalsContact C-N 3.32Å; L130-D132 PolarHBondContact O-N 3.06Å | ||
| 131 | S | 31.1 | Very low | 28.9 | Very low | 88 Ų | 88 | 121.8 Ų | 121.8 | 62% | 0.615 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -19.2 | -179.4 | 48.9 | 0 | 0 | 0 | 0 | 114.6 | ||
| 132 | D | 32.1 | Very low | 28.6 | Very low | 148 Ų | 148 | 124 Ų | 124 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | 24.9 | -168 | -61 | 10.7 | 0 | 0 | 0 | 112.2 | L130 | L130-D132 VanDerWaalsContact C-N 3.32Å; L130-D132 PolarHBondContact O-N 3.06Å |
| 133 | L | 30.8 | Very low | 28.3 | Very low | 93 Ų | 93 | 129.4 Ų | 129.4 | 49% | 0.487 | 72% | 0.723 | S | S | . | * | trans | -121.9 | 10.1 | -172.2 | -130.5 | 81.9 | 0 | 0 | 0 | 115.9 | E135 | L133-E135 PolarHBondContact O-N 3.4Å; L133-E135 VanDerWaalsContact O-N 3.09Å | ||
| 134 | E | 30.3 | Very low | 28.1 | Very low | 166 Ų | 166 | 126.7 Ų | 126.7 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -11.8 | 178 | -67.7 | -164.5 | 125.5 | 0 | 0 | 114.2 | V136 T137 | E134-V136 VanDerWaalsContact C-N 3.33Å; E134-V136 PolarHBondContact O-N 3.26Å; E134-T137 PolarHBondContact O-OG1 3.32Å |
| 135 | E | 32.5 | Very low | 28.1 | Very low | 182 Ų | 182 | 126.2 Ų | 126.2 | 85% | 0.85 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -7.8 | -176.2 | -143.7 | -174.8 | 168.4 | 0 | 0 | 114.6 | L133 | L133-E135 PolarHBondContact O-N 3.4Å; L133-E135 VanDerWaalsContact O-N 3.09Å |
| 136 | V | 30.8 | Very low | 28 | Very low | 109 Ų | 109 | 124.6 Ų | 124.6 | 66% | 0.661 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | -22.6 | -178.3 | -174.5 | 0 | 0 | 0 | 0 | 113.1 | E134 S138 | E134-V136 VanDerWaalsContact C-N 3.33Å; E134-V136 PolarHBondContact O-N 3.26Å; V136-S138 PolarHBondContact O-N 3.09Å |
| 137 | T | 28.2 | Very low | 27.9 | Very low | 116 Ų | 116 | 123 Ų | 123 | 71% | 0.712 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -76.5 | 2.8 | 179.9 | 38.8 | 0 | 0 | 0 | 0 | 114.8 | E134 | E134-T137 PolarHBondContact O-OG1 3.32Š|
| 138 | S | 25.9 | Very low | 27.7 | Very low | 100 Ų | 100 | 123.7 Ų | 123.7 | 70% | 0.699 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -104.6 | 36.3 | -176.3 | -65.8 | 0 | 0 | 0 | 0 | 114.7 | V136 | V136-S138 PolarHBondContact O-N 3.09Š|
| 139 | K | 27.2 | Very low | 27.6 | Very low | 148 Ų | 148 | 127.9 Ų | 127.9 | 64% | 0.643 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -161.2 | 129.1 | 159.5 | -106.4 | 149.8 | -173.4 | 172.6 | 0 | 110.8 | ||
| 140 | T | 25.8 | Very low | 27.4 | Very low | 106 Ų | 106 | 129.4 Ų | 129.4 | 65% | 0.65 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 87.5 | 32.5 | -179.2 | -27.3 | 0 | 0 | 0 | 0 | 117.1 | ||
| 141 | L | 25.2 | Very low | 27.1 | Very low | 160 Ų | 160 | 130.4 Ų | 130.4 | 84% | 0.838 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -133.9 | 151.9 | 140 | -86.3 | 178.1 | 0 | 0 | 0 | 108.8 | ||
| 142 | L | 25.8 | Very low | 26.8 | Very low | 156 Ų | 156 | 130.6 Ų | 130.6 | 82% | 0.817 | 71% | 0.713 | S | S | * | * | trans | 53.9 | 87 | 175 | -70.9 | 148.7 | 0 | 0 | 0 | 116.7 | ||||
| 143 | W | 23.8 | Very low | 26.5 | Very low | 212 Ų | 212 | 132.5 Ų | 132.5 | 80% | 0.803 | 72% | 0.715 | S | S | * | * | -156.1 | 77.4 | 116.2 | -130.8 | -24.1 | 0 | 0 | 0 | 111.9 | N146 | W143-N146 WeakPolarHBondContact CZ2-OD1 3.19Å; W143-N146 PolarHBondContact NE1-OD1 3.33Å | |||
| 144 | S | 24 | Very low | 26.3 | Very low | 65 Ų | 65 | 133.6 Ų | 133.6 | 46% | 0.455 | 72% | 0.721 | S | S | . | * | S | Bend | trans | -92.3 | 160.7 | 134.2 | 56.5 | 0 | 0 | 0 | 0 | 107.6 | ||
| 145 | S | 26.5 | Very low | 26.2 | Very low | 87 Ų | 87 | 134.9 Ų | 134.9 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | trans | 47.7 | 83.3 | 172.5 | 57.5 | 0 | 0 | 0 | 0 | 115.7 | C147 | S145-C147 PolarHBondContact O-N 3.37Š| ||
| 146 | N | 25.2 | Very low | 25.8 | Very low | 110 Ų | 110 | 132 Ų | 132 | 59% | 0.588 | 71% | 0.714 | S | S | * | * | -63.9 | 102.3 | 113.9 | -98 | 40.9 | 0 | 0 | 0 | 105.8 | W143 | W143-N146 WeakPolarHBondContact CZ2-OD1 3.19Å; W143-N146 PolarHBondContact NE1-OD1 3.33Å | |||
| 147 | C | 25.2 | Very low | 25.6 | Very low | 102 Ų | 102 | 133.3 Ų | 133.3 | 69% | 0.689 | 72% | 0.718 | S | S | * | * | trans | -80.9 | 123.1 | 143.7 | -70.8 | 0 | 0 | 0 | 0 | 104.9 | S145 D149 | S145-C147 PolarHBondContact O-N 3.37Å; C147-D149 PolarHBondContact O-N 2.87Å | ||
| 148 | D | 24.2 | Very low | 25.7 | Very low | 139 Ų | 139 | 136 Ų | 136 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | trans | -69.7 | 107.5 | 160.2 | -55.3 | -59 | 0 | 0 | 0 | 106.2 | ||||
| 149 | D | 25.2 | Very low | 25.7 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | trans | 175.7 | 81.8 | 161.8 | -93.5 | -20.9 | 0 | 0 | 0 | 109.4 | C147 | C147-D149 PolarHBondContact O-N 2.87Š| ||
| 150 | V | 25 | Very low | 25.7 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 87% | 0.873 | 74% | 0.738 | S | S | * | * | trans | -135.3 | 64.7 | 163.5 | -168.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 151 | D | 25 | Very low | 26.1 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | trans | -115.9 | 116.1 | 169.6 | -122.7 | -26.6 | 0 | 0 | 0 | 108.2 | ||||
| 152 | S | 24.5 | Very low | 26.4 | Very low | 91 Ų | 91 | 139.2 Ų | 139.2 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | trans | 62.1 | 142.6 | -164.3 | 76.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 153 | F | 25.9 | Very low | 26.5 | Very low | 189 Ų | 189 | 138.5 Ų | 138.5 | 83% | 0.829 | 74% | 0.736 | S | S | * | * | cis | -125.6 | 141.3 | 31.5 | -93.4 | -99.5 | 0 | 0 | 0 | 114.7 | ||||
| 154 | N | 25.1 | Very low | 27 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 62% | 0.62 | 74% | 0.738 | S | S | * | * | trans | -76.5 | 136 | 159.4 | -178 | 45 | 0 | 0 | 0 | 109.9 | D156 | N154-D156 PolarHBondContact ND2-OD2 3.09Š| ||
| 155 | F | 28.2 | Very low | 27.4 | Very low | 192 Ų | 192 | 138.7 Ų | 138.7 | 84% | 0.842 | 75% | 0.75 | S | S | * | * | trans | -146 | 114.4 | 154.3 | -117.4 | -79.2 | 0 | 0 | 0 | 108.9 | ||||
| 156 | D | 25.2 | Very low | 27.6 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 65% | 0.647 | 76% | 0.756 | S | S | * | * | trans | -68.1 | -174.5 | 176.3 | -60.2 | -92.2 | 0 | 0 | 0 | 112.3 | N154 | N154-D156 PolarHBondContact ND2-OD2 3.09Š| ||
| 157 | D | 27.2 | Very low | 27.9 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | 69.3 | 77.2 | 177.6 | -71.3 | -26.4 | 0 | 0 | 0 | 117.7 | ||||
| 158 | L | 29.1 | Very low | 28.3 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 90% | 0.901 | 76% | 0.762 | S | S | * | * | -145.7 | 13.1 | 116.8 | -137.9 | 73.2 | 0 | 0 | 0 | 116.3 | N160 | L158-N160 PolarHBondContact O-N 2.86Š| |||
| 159 | S | 26.2 | Very low | 28.8 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | trans | -76.7 | 59.3 | 171.5 | 178.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 160 | N | 27 | Very low | 29.1 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | trans | -157.8 | 49.9 | 175.8 | -104.5 | -36 | 0 | 0 | 0 | 115 | L158 | L158-N160 PolarHBondContact O-N 2.86Š| ||
| 161 | K | 34.6 | Very low | 29.6 | Very low | 188 Ų | 188 | 138.7 Ų | 138.7 | 82% | 0.817 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -131.6 | 96.1 | 150.6 | -72.5 | -167.4 | 176.3 | 178.1 | 0 | 108.9 | ||
| 162 | I | 31.8 | Very low | 29.9 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 70% | 0.697 | 74% | 0.74 | S | S | * | * | 65.8 | 84.5 | 107.2 | -62.6 | 158.5 | 0 | 0 | 0 | 109.5 | |||||
| 163 | N | 28.3 | Very low | 30.2 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | 58.2 | 117.6 | 77.2 | -60.1 | -17.7 | 0 | 0 | 0 | 112.7 | |||||
| 164 | E | 32.8 | Very low | 30.5 | Very low | 178 Ų | 178 | 138.1 Ų | 138.1 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | 178.2 | 139.9 | 104.2 | -96.5 | 175.6 | -169.2 | 0 | 0 | 112.9 | |||||
| 165 | S | 32.6 | Very low | 30.6 | Very low | 103 Ų | 103 | 143.1 Ų | 143.1 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | trans | 62.5 | 146.2 | 158.4 | 69.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 166 | N | 31.9 | Very low | 30.7 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | cis | -153 | 128.7 | -17.9 | -90.1 | -24.2 | 0 | 0 | 0 | 105.3 | ||||
| 167 | T | 30.6 | Very low | 31.1 | Very low | 105 Ų | 105 | 138.5 Ų | 138.5 | 64% | 0.644 | 74% | 0.741 | S | S | * | * | 71.2 | 142.5 | 63.5 | 65.7 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 168 | N | 34.3 | Very low | 31.2 | Very low | 139 Ų | 139 | 139 Ų | 139 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | trans | 81.9 | 136.1 | 172.3 | -45.2 | -36.4 | 0 | 0 | 0 | 115.7 | ||||
| 169 | N | 34.5 | Very low | 31.4 | Very low | 141 Ų | 141 | 140 Ų | 140 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | cis | -150.8 | 144.7 | -1.7 | -97 | -14.8 | 0 | 0 | 0 | 109.4 | ||||
| 170 | A | 31.8 | Very low | 31.6 | Very low | 79 Ų | 79 | 140.1 Ų | 140.1 | 65% | 0.653 | 74% | 0.736 | S | S | * | * | 59.9 | 139.4 | 92.3 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 171 | D | 34.3 | Very low | 31.7 | Very low | 134 Ų | 134 | 138 Ų | 138 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | cis | -142 | 141.1 | 20.4 | -100.9 | -68.1 | 0 | 0 | 0 | 111.5 | ||||
| 172 | T | 31.4 | Very low | 31.4 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 68% | 0.681 | 71% | 0.711 | S | S | * | * | 53.6 | 136.5 | 91 | 85.6 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 173 | K | 32.4 | Very low | 31.2 | Very low | 174 Ų | 174 | 134.7 Ų | 134.7 | 76% | 0.757 | 71% | 0.708 | S | S | * | * | cis | -158.2 | 150.6 | 39.3 | -87 | 179.7 | 177.7 | 166.1 | 0 | 115.6 | ||||
| 174 | L | 30.6 | Very low | 31.1 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 71% | 0.712 | 71% | 0.705 | S | S | * | * | trans | 60.4 | 129.1 | 140.5 | -59.7 | 168.9 | 0 | 0 | 0 | 119.8 | ||||
| 175 | R | 27.8 | Very low | 30.9 | Very low | 221 Ų | 221 | 130 Ų | 130 | 83% | 0.834 | 68% | 0.679 | S | S | * | * | cis | 81 | 128.4 | 47.5 | -176 | -167.4 | -175.7 | 168.3 | 3.6 | 112.1 | ||||
| 176 | S | 31 | Very low | 30.6 | Very low | 79 Ų | 79 | 129.8 Ų | 129.8 | 55% | 0.552 | 68% | 0.683 | S | S | * | * | cis | -150.2 | -173.8 | -2.9 | 45.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 177 | D | 33.3 | Very low | 30.4 | Very low | 138 Ų | 138 | 130.4 Ų | 130.4 | 74% | 0.738 | 69% | 0.686 | S | S | * | * | cis | -145.2 | 131.5 | 35.3 | -67.8 | -49.1 | 0 | 0 | 0 | 111.2 | ||||
| 178 | N | 29.2 | Very low | 30 | Very low | 147 Ų | 147 | 129.7 Ų | 129.7 | 79% | 0.786 | 68% | 0.681 | S | S | * | * | 65.6 | 81.3 | 74.6 | -84.1 | -10.5 | 0 | 0 | 0 | 116.3 | |||||
| 179 | K | 32.3 | Very low | 29.8 | Very low | 195 Ų | 195 | 128 Ų | 128 | 85% | 0.848 | 68% | 0.676 | S | S | * | * | trans | -159.5 | 118.6 | 136.6 | -109.8 | 167.1 | -174.8 | 177.4 | 0 | 111.5 | ||||
| 180 | T | 30.3 | Very low | 29.3 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 72% | 0.718 | 68% | 0.675 | S | S | * | * | trans | 31 | 128.6 | 139 | 58 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 181 | L | 28.8 | Very low | 29 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 50% | 0.503 | 69% | 0.686 | S | S | . | * | cis | -169.7 | 167.5 | 2.1 | -151.5 | 69.6 | 0 | 0 | 0 | 110.8 | N827 T828 | L181-N827 WeakPolarHBondContact CD1-O 3.38Å; L181-N827 WeakPolarHBondContact CD2-O 3.1Å; L181-N827 WeakPolarHBondContact CG-O 3.27Å; L181-T828 WeakPolarHBondContact CD1-O 3.36Å; L181-T828 VanDerWaalsContact CD2-O 3.25Å; L181-T828 WeakPolarHBondContact CD2-O 3.36Å | ||
| 182 | E | 28.4 | Very low | 28.5 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 55% | 0.547 | 68% | 0.679 | S | S | . | * | trans | 46 | 90.8 | 166.6 | -38.4 | -151.2 | 117.4 | 0 | 0 | 116.2 | N826 N827 | E182-N826 VanDerWaalsContact OE1-C 3.24Å; E182-N827 WeakPolarHBondContact OE1-CA 3.36Å; E182-N827 PolarHBondContact OE1-N 2.96Å | ||
| 183 | H | 28.9 | Very low | 28.2 | Very low | 138 Ų | 138 | 134.6 Ų | 134.6 | 64% | 0.639 | 68% | 0.683 | S | S | * | * | 58.9 | 108.8 | 66.1 | -127.8 | -29.7 | 0 | 0 | 0 | 116.9 | N825 N826 | H183-N825 WeakPolarHBondContact O-CB 3.48Å; H183-N826 WeakPolarHBondContact CB-O 3.29Å | |||
| 184 | R | 25.6 | Very low | 27.8 | Very low | 181 Ų | 181 | 130.8 Ų | 130.8 | 68% | 0.683 | 67% | 0.674 | S | S | * | * | trans | 74.2 | 154.2 | 156.9 | -92.7 | 149.2 | 142.8 | -157.3 | 5.9 | 119.3 | N825 | R184-N825 HydrophobicContact CB-CB 3.71Å; R184-N825 WeakPolarHBondContact CB-ND2 3.5Å; R184-N825 WeakPolarHBondContact CD-ND2 3.38Å; R184-N825 WeakPolarHBondContact CD-OD1 3.27Å; R184-N825 PolarHBondContact NH1-OD1 2.88Å | ||
| 185 | S | 28.1 | Very low | 27.4 | Very low | 42 Ų | 42 | 130.7 Ų | 130.7 | 29% | 0.294 | 68% | 0.675 | S | S | . | * | trans | 68.6 | 58.6 | 162.8 | 38.1 | 0 | 0 | 0 | 0 | 119.7 | N823 | S185-N823 VanDerWaalsContact CB-ND2 3.29Å; S185-N823 WeakPolarHBondContact CB-ND2 3.41Å | ||
| 186 | A | 26.7 | Very low | 27.2 | Very low | 98 Ų | 98 | 129.1 Ų | 129.1 | 81% | 0.81 | 67% | 0.674 | S | S | * | * | trans | -76.7 | 139.3 | 140.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 187 | L | 28.2 | Very low | 26.8 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 79% | 0.785 | 67% | 0.674 | S | S | * | * | cis | -116.9 | 117.9 | -4.1 | -75.7 | 162.9 | 0 | 0 | 0 | 110.6 | ||||
| 188 | T | 22.8 | Very low | 26.6 | Very low | 90 Ų | 90 | 130 Ų | 130 | 55% | 0.552 | 68% | 0.68 | S | S | * | * | trans | -118.3 | 90.3 | 154.5 | 47.7 | 0 | 0 | 0 | 0 | 109.3 | N823 | T188-N823 HydrophobicContact CG2-CB 4.17Š| ||
| 189 | T | 29 | Very low | 26.4 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 64% | 0.638 | 67% | 0.671 | S | S | * | * | trans | -125.9 | 105.8 | 166.1 | 38.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 190 | E | 23.5 | Very low | 26 | Very low | 155 Ų | 155 | 125.5 Ų | 125.5 | 72% | 0.724 | 66% | 0.664 | S | S | * | * | 57.5 | 67.5 | 86.4 | -66.4 | -155.5 | 157.9 | 0 | 0 | 113 | I192 | E190-I192 PolarHBondContact O-N 3.3Š| |||
| 191 | Y | 25.5 | Very low | 25.8 | Very low | 227 Ų | 227 | 125 Ų | 125 | 89% | 0.89 | 67% | 0.666 | S | S | * | * | trans | -79.9 | 82.4 | 135.1 | -80.9 | -76.7 | 0 | 0 | 0 | 108.7 | ||||
| 192 | I | 25.4 | Very low | 25.6 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 57% | 0.574 | 68% | 0.678 | S | S | * | * | trans | -43.6 | 138 | 145.3 | -69.2 | 168.2 | 0 | 0 | 0 | 106.9 | E190 V194 | E190-I192 PolarHBondContact O-N 3.3Å; I192-V194 PolarHBondContact O-N 2.88Å | ||
| 193 | S | 23.4 | Very low | 25.5 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 76% | 0.762 | 69% | 0.691 | S | S | * | * | trans | -66.1 | 84.9 | 170.3 | -57.2 | 0 | 0 | 0 | 0 | 109.1 | D195 | S193-D195 PolarHBondContact O-N 3.48Š| ||
| 194 | V | 24 | Very low | 25.3 | Very low | 94 Ų | 94 | 125.4 Ų | 125.4 | 57% | 0.57 | 69% | 0.693 | S | S | * | * | trans | -67.7 | 103 | 172.1 | 177.4 | 0 | 0 | 0 | 0 | 106.6 | I192 F196 | I192-V194 PolarHBondContact O-N 2.88Å; V194-F196 VanDerWaalsContact C-N 3.27Å; V194-F196 HydrophobicContact CB-CE2 4.46Å; V194-F196 HydrophobicContact CG1-CD2 3.99Å; V194-F196 HydrophobicContact CG1-CE2 3.82Å; V194-F196 HydrophobicContact CG1-CZ 4.43Å; V194-F196 PolarHBondContact O-N 3.09Å | ||
| 195 | D | 22.6 | Very low | 25.4 | Very low | 135 Ų | 135 | 124.7 Ų | 124.7 | 72% | 0.722 | 70% | 0.702 | S | S | * | * | trans | -60 | 88.7 | 172.4 | -80.4 | -42.8 | 0 | 0 | 0 | 109.8 | S193 N197 | S193-D195 PolarHBondContact O-N 3.48Å; D195-N197 PolarHBondContact O-N 3.36Å | ||
| 196 | F | 24.2 | Very low | 25.3 | Very low | 188 Ų | 188 | 127.9 Ų | 127.9 | 83% | 0.825 | 72% | 0.719 | S | S | * | * | trans | -70.1 | 73.2 | 162.1 | -86.6 | -75.4 | 0 | 0 | 0 | 109.3 | V194 P198 | V194-F196 VanDerWaalsContact C-N 3.27Å; V194-F196 HydrophobicContact CB-CE2 4.46Å; V194-F196 HydrophobicContact CG1-CD2 3.99Å; V194-F196 HydrophobicContact CG1-CE2 3.82Å; V194-F196 HydrophobicContact CG1-CZ 4.43Å; V194-F196 PolarHBondContact O-N 3.09Å; F196-P198 WeakPolarHBondContact O-CD 3.23Å | ||
| 197 | N | 23.4 | Very low | 25.4 | Very low | 101 Ų | 101 | 128.5 Ų | 128.5 | 54% | 0.54 | 72% | 0.715 | S | S | . | * | trans | -70.9 | 110 | 162.3 | -91.2 | -66 | 0 | 0 | 0 | 109.3 | D195 L199 | D195-N197 PolarHBondContact O-N 3.36Å; N197-L199 HydrophobicContact CB-CB 4.12Å; N197-L199 HydrophobicContact CB-CD1 3.9Å; N197-L199 HydrophobicContact CB-CG 3.88Å; N197-L199 PolarHBondContact O-N 3.45Å | ||
| 198 | P | 29 | Very low | 25.1 | Very low | 133 Ų | 133 | 127.7 Ų | 127.7 | 86% | 0.864 | 71% | 0.71 | S | S | * | * | trans | -74.2 | 64 | 151.7 | 34.3 | -36 | 0 | 0 | 0 | 108.9 | F196 N200 | F196-P198 WeakPolarHBondContact O-CD 3.23Å; P198-N200 PolarHBondContact O-N 3.24Å | ||
| 199 | L | 24.6 | Very low | 25.1 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 60% | 0.597 | 72% | 0.721 | S | S | * | * | trans | -75.3 | 124.1 | 177.6 | -98.5 | 168.8 | 0 | 0 | 0 | 110.5 | N197 | N197-L199 HydrophobicContact CB-CB 4.12Å; N197-L199 HydrophobicContact CB-CD1 3.9Å; N197-L199 HydrophobicContact CB-CG 3.88Å; N197-L199 PolarHBondContact O-N 3.45Å | ||
| 200 | N | 24.3 | Very low | 24.8 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 72% | 0.717 | 73% | 0.728 | S | S | * | * | trans | 56.4 | 84.7 | 152.7 | -61 | -19.7 | 0 | 0 | 0 | 119.2 | P198 | P198-N200 PolarHBondContact O-N 3.24Š| ||
| 201 | S | 25.4 | Very low | 25 | Very low | 108 Ų | 108 | 131.2 Ų | 131.2 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | -165.2 | 93 | 120.7 | 54.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 202 | T | 24.4 | Very low | 25.3 | Very low | 121 Ų | 121 | 125.5 Ų | 125.5 | 74% | 0.742 | 72% | 0.724 | S | S | * | * | 56.2 | 79.1 | 87.8 | 66.8 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 203 | N | 26.4 | Very low | 25.3 | Very low | 156 Ų | 156 | 124.4 Ų | 124.4 | 83% | 0.834 | 73% | 0.726 | S | S | * | * | trans | -158.7 | 121.1 | 131.7 | -92.1 | -31.3 | 0 | 0 | 0 | 107 | ||||
| 204 | A | 25.6 | Very low | 25.3 | Very low | 81 Ų | 81 | 125.7 Ų | 125.7 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | 70.9 | 117 | 76.7 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 205 | L | 25.8 | Very low | 25.4 | Very low | 167 Ų | 167 | 126.7 Ų | 126.7 | 87% | 0.874 | 73% | 0.731 | S | S | * | * | cis | -151.4 | 155.1 | 15.8 | -101.1 | 149.8 | 0 | 0 | 0 | 114.2 | ||||
| 206 | V | 26.3 | Very low | 25.6 | Very low | 109 Ų | 109 | 127 Ų | 127 | 66% | 0.661 | 73% | 0.732 | S | S | * | * | trans | -91.1 | 131.3 | 158.2 | 167.3 | 0 | 0 | 0 | 0 | 106.9 | I208 | V206-I208 HydrophobicContact CG1-CD1 3.56Å; V206-I208 HydrophobicContact CG1-CG1 3.83Å | ||
| 207 | P | 29.2 | Very low | 25.6 | Very low | 111 Ų | 111 | 121 Ų | 121 | 72% | 0.721 | 71% | 0.709 | S | S | * | * | -139 | 158.7 | 89.4 | 14.5 | 10.7 | 0 | 0 | 0 | 113.8 | |||||
| 208 | I | 22.7 | Very low | 25.7 | Very low | 132 Ų | 132 | 120.6 Ų | 120.6 | 68% | 0.677 | 70% | 0.704 | S | S | * | * | cis | 91.3 | 118 | 41.2 | -63.9 | 167.6 | 0 | 0 | 0 | 114.2 | V206 | V206-I208 HydrophobicContact CG1-CD1 3.56Å; V206-I208 HydrophobicContact CG1-CG1 3.83Å | ||
| 209 | I | 23.1 | Very low | 25.4 | Very low | 154 Ų | 154 | 117.8 Ų | 117.8 | 79% | 0.79 | 68% | 0.684 | S | S | * | * | trans | 85.7 | 141.8 | 155 | -79 | 166.9 | 0 | 0 | 0 | 121.7 | ||||
| 210 | S | 22.7 | Very low | 25.6 | Very low | 112 Ų | 112 | 115.1 Ų | 115.1 | 78% | 0.783 | 67% | 0.67 | S | S | * | * | trans | 78.4 | 107.3 | 159 | -76.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 211 | L | 27.9 | Very low | 25.8 | Very low | 158 Ų | 158 | 113.3 Ų | 113.3 | 83% | 0.827 | 67% | 0.665 | S | S | * | * | trans | -52.4 | 171.9 | 135.3 | -80.7 | 121 | 0 | 0 | 0 | 112.5 | ||||
| 212 | P | 31.5 | Very low | 25.8 | Very low | 107 Ų | 107 | 112.9 Ų | 112.9 | 70% | 0.695 | 66% | 0.662 | S | S | * | * | cis | -140.5 | -176.8 | 18.1 | 41 | -21.3 | 0 | 0 | 0 | 117.4 | ||||
| 213 | S | 24.6 | Very low | 25.9 | Very low | 89 Ų | 89 | 114.1 Ų | 114.1 | 62% | 0.622 | 66% | 0.663 | S | S | * | * | trans | 66.6 | 133.2 | 136.9 | -89.6 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 214 | D | 23.6 | Very low | 25.8 | Very low | 136 Ų | 136 | 114.4 Ų | 114.4 | 73% | 0.727 | 66% | 0.66 | S | S | * | * | trans | 54.7 | 111.7 | 134.5 | -47.4 | -42.4 | 0 | 0 | 0 | 117.7 | ||||
| 215 | T | 26 | Very low | 25.7 | Very low | 114 Ų | 114 | 114.5 Ų | 114.5 | 70% | 0.699 | 66% | 0.656 | S | S | * | * | -158.5 | 147.2 | 67.5 | 22.4 | 0 | 0 | 0 | 0 | 112.8 | I319 | T215-I319 HydrophobicContact CG2-CD1 3.91Š| |||
| 216 | N | 26.2 | Very low | 25.6 | Very low | 141 Ų | 141 | 113.6 Ų | 113.6 | 75% | 0.754 | 65% | 0.652 | S | S | * | * | trans | -60.9 | 154.4 | 154.7 | -81.7 | -74.7 | 0 | 0 | 0 | 109.1 | ||||
| 217 | L | 25.1 | Very low | 25.7 | Very low | 64 Ų | 64 | 116.7 Ų | 116.7 | 34% | 0.335 | 66% | 0.659 | S | S | . | * | 169 | 111.5 | 106 | -80 | 144.5 | 0 | 0 | 0 | 112.2 | S317 I319 | L217-S317 VanDerWaalsContact CB-OG 3.23Å; L217-S317 WeakPolarHBondContact CB-OG 3.4Å; L217-I319 HydrophobicContact CD1-CD1 3.84Å; L217-I319 HydrophobicContact CD1-CG1 3.6Å | |||
| 218 | Q | 24.8 | Very low | 25.5 | Very low | 92 Ų | 92 | 121.9 Ų | 121.9 | 43% | 0.43 | 67% | 0.665 | S | S | . | * | 68.2 | 118.7 | 121.9 | -59.4 | -157.5 | -28.3 | 0 | 0 | 119 | I315 R316 | Q218-I315 VanDerWaalsContact CA-CG2 3.41Å; Q218-I315 HydrophobicContact CB-CB 4.33Å; Q218-I315 HydrophobicContact CB-CG2 3.2Å; Q218-I315 HydrophobicContact CG-CB 4.39Å; Q218-I315 HydrophobicContact CG-CG2 3.45Å; Q218-I315 VanDerWaalsContact CG-CG2 3.45Å; Q218-R316 PolarHBondContact OE1-O 3.07Å | |||
| 219 | T | 23.7 | Very low | 25.5 | Very low | 74 Ų | 74 | 123.6 Ų | 123.6 | 45% | 0.454 | 67% | 0.671 | S | S | . | * | 176.7 | 145.8 | 93.9 | -59.4 | 0 | 0 | 0 | 0 | 116.8 | Q314 I315 R316 | T219-Q314 HydrophobicContact CG2-CG 4.04Å; T219-I315 VanDerWaalsContact CB-O 3.32Å; T219-I315 WeakPolarHBondContact CB-O 3.42Å; T219-I315 WeakPolarHBondContact CG2-O 3.48Å; T219-I315 PolarHBondContact OG1-O 3.15Å; T219-R316 WeakPolarHBondContact OG1-CA 3.32Å; T219-R316 VanDerWaalsContact OG1-CB 3.32Å; T219-R316 WeakPolarHBondContact OG1-CB 3.29Å; T219-R316 WeakPolarHBondContact OG1-CD 3.26Å; T219-R316 VanDerWaalsContact OG1-CG 3.27Å; T219-R316 WeakPolarHBondContact OG1-CG 3.47Å | |||
| 220 | I | 28.2 | Very low | 25.7 | Very low | 58 Ų | 58 | 122.6 Ų | 122.6 | 30% | 0.297 | 67% | 0.667 | S | S | . | * | trans | -73.5 | 173.4 | 173 | -72.8 | 118.8 | 0 | 0 | 0 | 113.2 | V313 Q314 I315 | I220-V313 HydrophobicContact CD1-CB 3.75Å; I220-V313 HydrophobicContact CD1-CG1 3.76Å; I220-V313 WeakPolarHBondContact CG2-O 3.43Å; I220-Q314 HydrophobicContact CB-CG 3.79Å; I220-Q314 HydrophobicContact CG2-CG 3.88Å; I220-Q314 PolarHBondContact O-NE2 3.2Å; I220-I315 HydrophobicContact CD1-CB 3.82Å; I220-I315 HydrophobicContact CD1-CD1 3.64Å; I220-I315 HydrophobicContact CD1-CG1 3.99Å; I220-I315 HydrophobicContact CD1-CG2 4.03Å | ||
| 221 | P | 29.2 | Very low | 25.9 | Very low | 96 Ų | 96 | 127.2 Ų | 127.2 | 62% | 0.623 | 67% | 0.673 | S | S | * | * | cis | -119.2 | 175.1 | 14.2 | 12.6 | 15.3 | 0 | 0 | 0 | 115.9 | ||||
| 222 | S | 25.9 | Very low | 25.7 | Very low | 98 Ų | 98 | 128.7 Ų | 128.7 | 69% | 0.685 | 68% | 0.676 | S | S | * | * | cis | 91.7 | 123.4 | 32.2 | -43.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 223 | L | 25.2 | Very low | 25.4 | Very low | 147 Ų | 147 | 127.2 Ų | 127.2 | 77% | 0.77 | 67% | 0.673 | S | S | * | * | trans | 178.7 | 128.7 | 143.1 | -113.9 | 73.9 | 0 | 0 | 0 | 106.3 | ||||
| 224 | E | 25.5 | Very low | 25.4 | Very low | 163 Ų | 163 | 130.9 Ų | 130.9 | 76% | 0.762 | 68% | 0.68 | S | S | * | * | 63.9 | 147.6 | 87.4 | -66.3 | -177.8 | -177.8 | 0 | 0 | 115.9 | |||||
| 225 | S | 23.7 | Very low | 25.5 | Very low | 83 Ų | 83 | 135 Ų | 135 | 58% | 0.58 | 69% | 0.687 | S | S | * | * | cis | -168.7 | 168.3 | -25.6 | 58.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 226 | N | 23.2 | Very low | 25.5 | Very low | 148 Ų | 148 | 138 Ų | 138 | 79% | 0.791 | 69% | 0.69 | S | S | * | * | trans | 66.7 | 120 | 171.2 | -48.8 | -38.1 | 0 | 0 | 0 | 118.3 | ||||
| 227 | E | 28.3 | Very low | 25.5 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 81% | 0.808 | 68% | 0.684 | S | S | * | * | -171 | 77.5 | 117.1 | -103.5 | 179.5 | -162.2 | 0 | 0 | 109.6 | |||||
| 228 | Y | 24 | Very low | 25.5 | Very low | 220 Ų | 220 | 140.3 Ų | 140.3 | 86% | 0.863 | 71% | 0.706 | S | S | * | * | trans | -77.7 | 149.8 | 156.4 | -169 | -100.8 | 0 | 0 | 0 | 107 | ||||
| 229 | E | 23.6 | Very low | 25.7 | Very low | 169 Ų | 169 | 140.5 Ų | 140.5 | 79% | 0.79 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 72.3 | 52.8 | -172.9 | -47.4 | -165.1 | 143 | 0 | 0 | 117.6 | ||
| 230 | N | 27.1 | Very low | 25.8 | Very low | 133 Ų | 133 | 143.9 Ų | 143.9 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | trans | -160 | 66.9 | 154.3 | -106.3 | -31.6 | 0 | 0 | 0 | 115.3 | ||||
| 231 | F | 26.7 | Very low | 25.8 | Very low | 208 Ų | 208 | 146.8 Ų | 146.8 | 91% | 0.912 | 75% | 0.75 | S | S | * | * | trans | -164.2 | 53 | 148.2 | -115.6 | -68.7 | 0 | 0 | 0 | 112.8 | ||||
| 232 | Q | 24.6 | Very low | 25.8 | Very low | 190 Ų | 190 | 147.3 Ų | 147.3 | 89% | 0.888 | 74% | 0.744 | S | S | * | * | trans | -80.7 | 155.6 | 156.4 | -89.3 | -170.8 | -3.4 | 0 | 0 | 110.2 | ||||
| 233 | A | 24.5 | Very low | 26 | Very low | 76 Ų | 76 | 145.8 Ų | 145.8 | 63% | 0.628 | 73% | 0.728 | S | S | * | * | trans | 75.4 | 143.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 234 | H | 24.9 | Very low | 26.1 | Very low | 165 Ų | 165 | 140.8 Ų | 140.8 | 76% | 0.764 | 70% | 0.704 | S | S | * | * | trans | 60 | 118.8 | -176.4 | -58.9 | -92.4 | 0 | 0 | 0 | 115.1 | ||||
| 235 | Y | 26.2 | Very low | 26.3 | Very low | 222 Ų | 222 | 140.8 Ų | 140.8 | 87% | 0.871 | 70% | 0.704 | S | S | * | * | cis | -116.8 | 148.6 | 19.5 | -96.9 | -98.8 | 0 | 0 | 0 | 115.4 | ||||
| 236 | K | 25.4 | Very low | 26.6 | Very low | 179 Ų | 179 | 140.6 Ų | 140.6 | 78% | 0.778 | 70% | 0.702 | S | S | * | * | trans | -124.1 | 160.6 | 167 | -140.9 | -179.3 | -173.9 | 178.9 | 0 | 107.1 | ||||
| 237 | T | 25.7 | Very low | 26.9 | Very low | 101 Ų | 101 | 141 Ų | 141 | 62% | 0.62 | 70% | 0.703 | S | S | * | * | trans | 54 | 112.9 | 160.4 | 52.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 238 | N | 25.8 | Very low | 27.2 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 81% | 0.807 | 70% | 0.702 | S | S | * | * | -174 | 123.9 | 103.5 | -80.4 | -21 | 0 | 0 | 0 | 107.6 | |||||
| 239 | T | 28.5 | Very low | 27.5 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 59% | 0.589 | 69% | 0.691 | S | S | * | * | cis | 72.2 | 93.5 | 32.2 | 74.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 240 | V | 25.2 | Very low | 27.6 | Very low | 146 Ų | 146 | 130.8 Ų | 130.8 | 89% | 0.885 | 69% | 0.688 | S | S | * | * | trans | -141.9 | 99.4 | 142.8 | -178.5 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 241 | L | 29.8 | Very low | 27.9 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 62% | 0.618 | 70% | 0.696 | S | S | * | * | cis | 70.7 | 122.9 | 30.4 | -148.9 | 87.1 | 0 | 0 | 0 | 113.5 | ||||
| 242 | E | 27.6 | Very low | 28.3 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 51% | 0.505 | 69% | 0.686 | S | S | . | * | 159 | 145.4 | 126.6 | -80.5 | -92.7 | 113.1 | 0 | 0 | 112.6 | Q583 | E242-Q583 PolarHBondContact OE1-NE2 3.21Å; E242-Q583 PolarHBondContact OE2-NE2 2.94Å | |||
| 243 | N | 30.1 | Very low | 28.8 | Very low | 66 Ų | 66 | 123.2 Ų | 123.2 | 35% | 0.353 | 68% | 0.679 | S | S | . | * | cis | -166.8 | 174.1 | -34 | -150.1 | -18.8 | 0 | 0 | 0 | 110.9 | ||||
| 244 | V | 27.2 | Very low | 29.1 | Very low | 42 Ų | 42 | 126.1 Ų | 126.1 | 26% | 0.255 | 68% | 0.684 | S | S | . | * | trans | 73.1 | 134.9 | 162.3 | 171.5 | 0 | 0 | 0 | 0 | 116 | T580 A581 I582 | V244-T580 VanDerWaalsContact CG1-O 3.24Å; V244-T580 WeakPolarHBondContact CG1-O 3.45Å; V244-A581 HydrophobicContact CB-CB 3.99Å; V244-A581 HydrophobicContact CG2-CB 4.05Å; V244-I582 WeakPolarHBondContact CG2-O 3.38Å | ||
| 245 | Q | 31.4 | Very low | 29.5 | Very low | 163 Ų | 163 | 125.2 Ų | 125.2 | 76% | 0.762 | 69% | 0.685 | S | S | * | * | cis | 86.9 | 174.1 | 25.1 | -52.7 | 172.1 | -24.6 | 0 | 0 | 113.4 | ||||
| 246 | S | 29.1 | Very low | 29.6 | Very low | 79 Ų | 79 | 122.7 Ų | 122.7 | 55% | 0.552 | 69% | 0.685 | S | S | * | * | cis | -160.9 | 146.7 | 8.3 | -4.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 247 | L | 30.4 | Very low | 29.7 | Very low | 155 Ų | 155 | 117.6 Ų | 117.6 | 81% | 0.812 | 68% | 0.684 | S | S | * | * | trans | 63.3 | 175.5 | 141.5 | -91.8 | 73.9 | 0 | 0 | 0 | 119.2 | ||||
| 248 | P | 33.7 | Very low | 30.4 | Very low | 121 Ų | 121 | 118.3 Ų | 118.3 | 79% | 0.786 | 69% | 0.69 | S | S | * | * | cis | -123 | 171.2 | 1.7 | 21.1 | 3.3 | 0 | 0 | 0 | 117.4 | ||||
| 249 | S | 29.6 | Very low | 30.4 | Very low | 89 Ų | 89 | 118.2 Ų | 118.2 | 62% | 0.622 | 69% | 0.689 | S | S | * | * | trans | -89.4 | 175.6 | 172.2 | 51.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 250 | N | 26.5 | Very low | 30.2 | Very low | 138 Ų | 138 | 119.4 Ų | 119.4 | 74% | 0.738 | 69% | 0.692 | S | S | * | * | 172.2 | 170.4 | 118.6 | -85.5 | -8 | 0 | 0 | 0 | 115.7 | |||||
| 251 | T | 33.9 | Very low | 30.2 | Very low | 142 Ų | 142 | 119.1 Ų | 119.1 | 87% | 0.871 | 68% | 0.684 | S | S | * | * | trans | 88.3 | 126 | 163.3 | 58.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 252 | V | 33.8 | Very low | 29.9 | Very low | 115 Ų | 115 | 119.5 Ų | 119.5 | 70% | 0.697 | 69% | 0.691 | S | S | * | * | trans | -111.3 | 164.5 | 166.9 | -151.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 253 | P | 35.5 | Very low | 29.7 | Very low | 115 Ų | 115 | 118.2 Ų | 118.2 | 75% | 0.747 | 69% | 0.694 | S | S | * | * | -133.4 | 158.9 | 88.4 | 13.3 | 10.4 | 0 | 0 | 0 | 111.8 | |||||
| 254 | D | 30.6 | Very low | 29.5 | Very low | 138 Ų | 138 | 125.3 Ų | 125.3 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | cis | 74.1 | 104.4 | 45.2 | -68.7 | -40.8 | 0 | 0 | 0 | 115.4 | ||||
| 255 | D | 33.2 | Very low | 29.7 | Very low | 146 Ų | 146 | 128.8 Ų | 128.8 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | trans | -178.3 | 114.9 | 137.9 | -101 | -7.4 | 0 | 0 | 0 | 108.4 | ||||
| 256 | L | 28.4 | Very low | 29.6 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 88% | 0.88 | 75% | 0.746 | S | S | * | * | 85.6 | 127.9 | 73.5 | -80.1 | -170.4 | 0 | 0 | 0 | 114.4 | |||||
| 257 | G | 28.5 | Very low | 29.4 | Very low | 72 Ų | 72 | 128.8 Ų | 128.8 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | 133 | 59.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 258 | P | 40.3 | Very low | 29.1 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | trans | -74.8 | 168.6 | 159.4 | 36.3 | -35.7 | 0 | 0 | 0 | 110.9 | ||||
| 259 | L | 24.9 | Very low | 28.7 | Very low | 149 Ų | 149 | 129.9 Ų | 129.9 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | trans | 178.7 | 150.8 | 136.1 | -99 | 162.6 | 0 | 0 | 0 | 114.4 | ||||
| 260 | N | 24.7 | Very low | 28.4 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 65% | 0.652 | 77% | 0.766 | S | S | * | * | trans | 61.9 | 121.6 | 158 | -61.6 | -24.3 | 0 | 0 | 0 | 119.5 | ||||
| 261 | I | 25 | Very low | 28.2 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | cis | 72.5 | 103.3 | 38.3 | -50.2 | 164.2 | 0 | 0 | 0 | 113.5 | ||||
| 262 | T | 24.7 | Very low | 27.7 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | -175.4 | 113.6 | 127.9 | 31.6 | 0 | 0 | 0 | 0 | 106.1 | |||||
| 263 | S | 23.4 | Very low | 27.3 | Very low | 81 Ų | 81 | 132 Ų | 132 | 57% | 0.566 | 76% | 0.755 | S | S | * | * | 81.3 | 147 | 54.8 | 78.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 264 | Y | 24.9 | Very low | 27 | Very low | 214 Ų | 214 | 132 Ų | 132 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | trans | 81.8 | 147.7 | 178.6 | -55.6 | -74 | 0 | 0 | 0 | 117.4 | ||||
| 265 | P | 31 | Very low | 26.7 | Very low | 115 Ų | 115 | 130 Ų | 130 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | cis | -139.8 | 177.6 | -36.3 | 38.6 | -22.9 | 0 | 0 | 0 | 115.4 | ||||
| 266 | M | 29.1 | Very low | 26.4 | Very low | 177 Ų | 177 | 129.9 Ų | 129.9 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | trans | -62.1 | 149.5 | 161.2 | -71.9 | -103.8 | -69.5 | 0 | 0 | 113.6 | ||||
| 267 | G | 25 | Very low | 26.2 | Very low | 65 Ų | 65 | 127.2 Ų | 127.2 | 67% | 0.67 | 74% | 0.741 | S | S | * | * | trans | -177.5 | 127.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 268 | L | 25.5 | Very low | 26.2 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | cis | 57.2 | 67.2 | 25.9 | -83.6 | 178.1 | 0 | 0 | 0 | 113.6 | ||||
| 269 | V | 24.2 | Very low | 25.6 | Very low | 138 Ų | 138 | 134 Ų | 134 | 84% | 0.836 | 74% | 0.742 | S | S | * | * | trans | -133.8 | 112.5 | 157.2 | 173.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 270 | E | 23.3 | Very low | 25.6 | Very low | 178 Ų | 178 | 131.7 Ų | 131.7 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | trans | -75.4 | -179.8 | 161.9 | -63.9 | 168.5 | 103.7 | 0 | 0 | 109.7 | ||||
| 271 | A | 22.8 | Very low | 25.6 | Very low | 83 Ų | 83 | 132.1 Ų | 132.1 | 69% | 0.686 | 74% | 0.739 | S | S | * | * | trans | 99 | 117.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 272 | D | 22.9 | Very low | 25.6 | Very low | 137 Ų | 137 | 132.5 Ų | 132.5 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | 81 | 94.8 | 125.3 | -59.8 | -4.4 | 0 | 0 | 0 | 122.5 | |||||
| 273 | I | 25.9 | Very low | 25.6 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 66% | 0.662 | 74% | 0.735 | S | S | * | * | 58.4 | 116.7 | 101.7 | -68.3 | 167.3 | 0 | 0 | 0 | 115.7 | |||||
| 274 | P | 28.4 | Very low | 25.9 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 75% | 0.747 | 74% | 0.737 | S | S | * | * | -120.2 | 106.1 | 92 | 34.4 | -33 | 0 | 0 | 0 | 114.7 | I276 | P274-I276 PolarHBondContact O-N 2.95Å; P274-I276 VanDerWaalsContact O-N 3.07Å | |||
| 275 | S | 25.2 | Very low | 26.1 | Very low | 96 Ų | 96 | 129.2 Ų | 129.2 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | trans | -60.5 | 100.4 | 158 | -54.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 276 | I | 26.8 | Very low | 25.9 | Very low | 145 Ų | 145 | 129 Ų | 129 | 74% | 0.744 | 73% | 0.728 | S | S | * | * | trans | -107.3 | 93.7 | 163.8 | -63.2 | -174.6 | 0 | 0 | 0 | 108.8 | P274 | P274-I276 PolarHBondContact O-N 2.95Å; P274-I276 VanDerWaalsContact O-N 3.07Å | ||
| 277 | T | 24.8 | Very low | 25.7 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 68% | 0.681 | 71% | 0.714 | S | S | * | * | trans | 15.6 | 142.6 | 138.9 | 63.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 278 | R | 27.2 | Very low | 25.9 | Very low | 230 Ų | 230 | 129.6 Ų | 129.6 | 87% | 0.868 | 71% | 0.714 | S | S | * | * | cis | -158.6 | 136.4 | 33.9 | -153.7 | 172.2 | -175 | 168.2 | 0.7 | 112.5 | ||||
| 279 | P | 28.9 | Very low | 26 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 66% | 0.662 | 71% | 0.712 | S | S | * | * | trans | -80.4 | 157.6 | 164.1 | 35.6 | -34.7 | 0 | 0 | 0 | 111 | ||||
| 280 | S | 24.7 | Very low | 26.2 | Very low | 99 Ų | 99 | 127.1 Ų | 127.1 | 69% | 0.692 | 70% | 0.701 | S | S | * | * | trans | -174.3 | 128.7 | 139.6 | -98.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 281 | I | 24.5 | Very low | 26.3 | Very low | 131 Ų | 131 | 126.1 Ų | 126.1 | 67% | 0.672 | 70% | 0.701 | S | S | * | * | 65.6 | 129.4 | 58.3 | -54.8 | 165.3 | 0 | 0 | 0 | 110.7 | |||||
| 282 | H | 25.3 | Very low | 26.7 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 69% | 0.685 | 70% | 0.703 | S | S | * | * | trans | 94.7 | 126.6 | -177.5 | -57.8 | -73 | 0 | 0 | 0 | 113.6 | ||||
| 283 | Q | 24.7 | Very low | 27.1 | Very low | 155 Ų | 155 | 127.6 Ų | 127.6 | 72% | 0.724 | 70% | 0.697 | S | S | * | * | cis | -177.7 | 159.9 | -11.6 | -127 | 167.4 | -21.3 | 0 | 0 | 106.2 | ||||
| 284 | S | 28.8 | Very low | 27 | Very low | 86 Ų | 86 | 126.2 Ų | 126.2 | 60% | 0.601 | 70% | 0.695 | S | S | * | * | trans | -24.6 | 150.6 | 143.3 | 53.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 285 | P | 29.6 | Very low | 26.9 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | cis | -121.2 | 167.7 | 39.3 | 32.4 | -13.2 | 0 | 0 | 0 | 114.1 | ||||
| 286 | V | 26.2 | Very low | 27.1 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 67% | 0.673 | 70% | 0.7 | S | S | * | * | 47.3 | 130.9 | 65.8 | -116.4 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 287 | D | 25.8 | Very low | 27.3 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 58% | 0.578 | 70% | 0.696 | S | S | * | * | cis | -160.7 | 170.7 | 47.2 | -129.5 | -48.5 | 0 | 0 | 0 | 116.4 | ||||
| 288 | H | 28.8 | Very low | 27.5 | Very low | 146 Ų | 146 | 130.4 Ų | 130.4 | 68% | 0.676 | 70% | 0.696 | S | S | * | * | trans | 66 | 109.5 | 162.4 | -59.1 | -14.7 | 0 | 0 | 0 | 116.3 | ||||
| 289 | H | 28.1 | Very low | 27.6 | Very low | 172 Ų | 172 | 126.4 Ų | 126.4 | 80% | 0.796 | 69% | 0.687 | S | S | * | * | 67.9 | 141 | 70.3 | -65.4 | -145 | 0 | 0 | 0 | 111.5 | |||||
| 290 | A | 27.5 | Very low | 27.6 | Very low | 75 Ų | 75 | 127.9 Ų | 127.9 | 62% | 0.62 | 69% | 0.688 | S | S | * | * | cis | -154.8 | 161.8 | 26.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 291 | L | 26.4 | Very low | 27.8 | Very low | 157 Ų | 157 | 127.3 Ų | 127.3 | 82% | 0.822 | 68% | 0.682 | S | S | * | * | trans | 60.2 | 109.5 | 139.9 | -68.5 | 166.6 | 0 | 0 | 0 | 116.9 | ||||
| 292 | H | 29.5 | Very low | 27.9 | Very low | 157 Ų | 157 | 131 Ų | 131 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | cis | 51.8 | 136.9 | 47.5 | -124.3 | -92.8 | 0 | 0 | 0 | 110.8 | ||||
| 293 | P | 31.5 | Very low | 27.9 | Very low | 95 Ų | 95 | 128.4 Ų | 128.4 | 62% | 0.617 | 69% | 0.687 | S | S | * | * | cis | -153.4 | 141.7 | 32.1 | 42.3 | -20.1 | 0 | 0 | 0 | 118.8 | ||||
| 294 | T | 24.9 | Very low | 27.8 | Very low | 99 Ų | 99 | 131 Ų | 131 | 61% | 0.607 | 69% | 0.692 | S | S | * | * | 66 | 168 | 128.1 | 68.3 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 295 | I | 26.6 | Very low | 27.8 | Very low | 142 Ų | 142 | 131.6 Ų | 131.6 | 73% | 0.728 | 70% | 0.696 | S | S | * | * | trans | 74.6 | 123.4 | 149.6 | -76.9 | 159.6 | 0 | 0 | 0 | 115.3 | ||||
| 296 | K | 28 | Very low | 27.8 | Very low | 184 Ų | 184 | 131.1 Ų | 131.1 | 80% | 0.8 | 69% | 0.693 | S | S | * | * | cis | -152.1 | 175.1 | 2 | -114.6 | 175.5 | -176.5 | 179.6 | 0 | 110 | ||||
| 297 | P | 31.3 | Very low | 27.7 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 65% | 0.649 | 70% | 0.7 | S | S | * | * | trans | -103.4 | -179.6 | -158.3 | 40.4 | -36.9 | 0 | 0 | 0 | 113.7 | ||||
| 298 | N | 28.3 | Very low | 27.7 | Very low | 130 Ų | 130 | 134 Ų | 134 | 70% | 0.695 | 71% | 0.708 | S | S | * | * | -169.3 | 147 | 112.4 | -99.6 | -13.7 | 0 | 0 | 0 | 114.8 | |||||
| 299 | H | 30.5 | Very low | 27.7 | Very low | 146 Ų | 146 | 132.2 Ų | 132.2 | 68% | 0.676 | 71% | 0.709 | S | S | * | * | trans | 43.5 | 124.7 | 165 | -58 | -68.4 | 0 | 0 | 0 | 121.6 | ||||
| 300 | I | 27.9 | Very low | 27.5 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 68% | 0.682 | 71% | 0.711 | S | S | * | * | cis | 77.5 | 126.1 | 37.3 | -59.7 | 169.2 | 0 | 0 | 0 | 111.4 | ||||
| 301 | P | 29.8 | Very low | 27.4 | Very low | 86 Ų | 86 | 132.9 Ų | 132.9 | 56% | 0.558 | 72% | 0.715 | S | S | * | * | cis | -158.6 | -168.7 | -16.6 | 46.8 | -27.8 | 0 | 0 | 0 | 118.4 | ||||
| 302 | Y | 26.4 | Very low | 27.3 | Very low | 210 Ų | 210 | 130.7 Ų | 130.7 | 82% | 0.824 | 71% | 0.713 | S | S | * | * | trans | 58 | 154.3 | 140.5 | -58.3 | -30.8 | 0 | 0 | 0 | 121.2 | ||||
| 303 | S | 25.3 | Very low | 27.1 | Very low | 92 Ų | 92 | 128 Ų | 128 | 64% | 0.643 | 71% | 0.707 | S | S | * | * | cis | -162.4 | 136 | -21.4 | 47.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 304 | Y | 23.9 | Very low | 26.8 | Very low | 210 Ų | 210 | 129.4 Ų | 129.4 | 82% | 0.824 | 71% | 0.706 | S | S | * | * | 40.6 | 100.2 | 91 | -88.8 | -89.7 | 0 | 0 | 0 | 115.6 | |||||
| 305 | S | 26.9 | Very low | 26.7 | Very low | 99 Ų | 99 | 127.9 Ų | 127.9 | 69% | 0.692 | 69% | 0.693 | S | S | * | * | 67.8 | -178.3 | 122 | -55.6 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 306 | P | 30.6 | Very low | 26.5 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 66% | 0.662 | 69% | 0.694 | S | S | * | * | -134.4 | -179.5 | -60.6 | 40.3 | -26.7 | 0 | 0 | 0 | 113.2 | |||||
| 307 | L | 23.7 | Very low | 26.4 | Very low | 158 Ų | 158 | 124.6 Ų | 124.6 | 83% | 0.827 | 68% | 0.676 | S | S | * | * | trans | 66.6 | 157.2 | 164.7 | -55.9 | 167.9 | 0 | 0 | 0 | 115 | ||||
| 308 | T | 25.4 | Very low | 26 | Very low | 122 Ų | 122 | 124.7 Ų | 124.7 | 75% | 0.748 | 68% | 0.679 | S | S | * | * | cis | -135.4 | -121.7 | -17.1 | 24.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 309 | P | 29.6 | Very low | 25.9 | Very low | 107 Ų | 107 | 122.8 Ų | 122.8 | 70% | 0.695 | 67% | 0.668 | S | S | * | * | -121.9 | -171.3 | -128 | 38.5 | -18.3 | 0 | 0 | 0 | 115.3 | |||||
| 310 | L | 23.9 | Very low | 25.6 | Very low | 161 Ų | 161 | 123.2 Ų | 123.2 | 84% | 0.843 | 67% | 0.67 | S | S | * | * | trans | -2.5 | 135.4 | 164.9 | -74.5 | 72 | 0 | 0 | 0 | 116.7 | ||||
| 311 | S | 25.1 | Very low | 25.5 | Very low | 100 Ų | 100 | 123.5 Ų | 123.5 | 70% | 0.699 | 67% | 0.669 | S | S | * | * | -177.5 | -178.6 | 67.8 | 59.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 312 | S | 24.2 | Very low | 25.4 | Very low | 111 Ų | 111 | 124.3 Ų | 124.3 | 78% | 0.776 | 68% | 0.676 | S | S | * | * | trans | 72.2 | 94.2 | 151.1 | -50.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 313 | V | 26.1 | Very low | 25.3 | Very low | 100 Ų | 100 | 118.4 Ų | 118.4 | 61% | 0.606 | 67% | 0.666 | S | S | * | * | trans | -74.5 | 123.3 | 172.7 | -140.8 | 0 | 0 | 0 | 0 | 111.1 | I220 I315 | I220-V313 HydrophobicContact CD1-CB 3.75Å; I220-V313 HydrophobicContact CD1-CG1 3.76Å; I220-V313 WeakPolarHBondContact CG2-O 3.43Å; V313-I315 HydrophobicContact CG1-CD1 3.71Å; V313-I315 HydrophobicContact CG1-CG1 3.98Å | ||
| 314 | Q | 23.9 | Very low | 25.3 | Very low | 125 Ų | 125 | 121.9 Ų | 121.9 | 58% | 0.584 | 67% | 0.669 | S | S | * | * | trans | -168.8 | 60.9 | 161.3 | -112.2 | -167.3 | -22.6 | 0 | 0 | 113.4 | T219 I220 | T219-Q314 HydrophobicContact CG2-CG 4.04Å; I220-Q314 HydrophobicContact CB-CG 3.79Å; I220-Q314 HydrophobicContact CG2-CG 3.88Å; I220-Q314 PolarHBondContact O-NE2 3.2Å | ||
| 315 | I | 24.4 | Very low | 25.7 | Very low | 67 Ų | 67 | 118.1 Ų | 118.1 | 34% | 0.344 | 67% | 0.668 | S | S | . | * | 44.8 | 102.9 | 89.1 | -70 | -162.9 | 0 | 0 | 0 | 113.2 | Q218 T219 I220 V313 | Q218-I315 VanDerWaalsContact CA-CG2 3.41Å; Q218-I315 HydrophobicContact CB-CB 4.33Å; Q218-I315 HydrophobicContact CB-CG2 3.2Å; Q218-I315 HydrophobicContact CG-CB 4.39Å; Q218-I315 HydrophobicContact CG-CG2 3.45Å; Q218-I315 VanDerWaalsContact CG-CG2 3.45Å; T219-I315 VanDerWaalsContact CB-O 3.32Å; T219-I315 WeakPolarHBondContact CB-O 3.42Å; T219-I315 WeakPolarHBondContact CG2-O 3.48Å; T219-I315 PolarHBondContact OG1-O 3.15Å; I220-I315 HydrophobicContact CD1-CB 3.82Å; I220-I315 HydrophobicContact CD1-CD1 3.64Å; I220-I315 HydrophobicContact CD1-CG1 3.99Å; I220-I315 HydrophobicContact CD1-CG2 4.03Å; V313-I315 HydrophobicContact CG1-CD1 3.71Å; V313-I315 HydrophobicContact CG1-CG1 3.98Å | |||
| 316 | R | 21.7 | Very low | 25.7 | Very low | 196 Ų | 196 | 118.3 Ų | 118.3 | 74% | 0.74 | 66% | 0.66 | S | S | * | * | trans | -162.8 | 151.4 | 148.4 | -155.4 | 155.3 | -156.7 | -152.5 | 2.7 | 114.1 | Q218 T219 | Q218-R316 PolarHBondContact OE1-O 3.07Å; T219-R316 WeakPolarHBondContact OG1-CA 3.32Å; T219-R316 VanDerWaalsContact OG1-CB 3.32Å; T219-R316 WeakPolarHBondContact OG1-CB 3.29Å; T219-R316 WeakPolarHBondContact OG1-CD 3.26Å; T219-R316 VanDerWaalsContact OG1-CG 3.27Å; T219-R316 WeakPolarHBondContact OG1-CG 3.47Å | ||
| 317 | S | 25.5 | Very low | 25.5 | Very low | 61 Ų | 61 | 119.9 Ų | 119.9 | 43% | 0.427 | 66% | 0.663 | S | S | . | * | trans | -47.1 | 146.1 | 177.4 | -26.2 | 0 | 0 | 0 | 0 | 114.6 | L217 | L217-S317 VanDerWaalsContact CB-OG 3.23Å; L217-S317 WeakPolarHBondContact CB-OG 3.4Å | ||
| 318 | S | 23 | Very low | 25.7 | Very low | 102 Ų | 102 | 116.8 Ų | 116.8 | 71% | 0.713 | 65% | 0.647 | S | S | * | * | -150.7 | 149.7 | 50.9 | 51.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 319 | I | 25.6 | Very low | 25.8 | Very low | 91 Ų | 91 | 119.9 Ų | 119.9 | 47% | 0.467 | 65% | 0.653 | S | S | . | * | 51.4 | 107.2 | 74.6 | -55.2 | 169.6 | 0 | 0 | 0 | 114.6 | T215 L217 | T215-I319 HydrophobicContact CG2-CD1 3.91Å; L217-I319 HydrophobicContact CD1-CD1 3.84Å; L217-I319 HydrophobicContact CD1-CG1 3.6Å | |||
| 320 | H | 25.1 | Very low | 25.7 | Very low | 155 Ų | 155 | 120.3 Ų | 120.3 | 72% | 0.718 | 65% | 0.654 | S | S | * | * | -149.4 | 120.7 | 120.6 | -103.3 | -86.1 | 0 | 0 | 0 | 105.5 | |||||
| 321 | E | 25.1 | Very low | 25.7 | Very low | 139 Ų | 139 | 118.1 Ų | 118.1 | 65% | 0.65 | 65% | 0.65 | S | S | * | * | 61.9 | 132.6 | 91.6 | -65.4 | -177.1 | 177.1 | 0 | 0 | 113.5 | |||||
| 322 | S | 27.7 | Very low | 25.8 | Very low | 103 Ų | 103 | 118.3 Ų | 118.3 | 72% | 0.72 | 65% | 0.649 | S | S | * | * | cis | -139.1 | 147.4 | 31.3 | 32.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 323 | S | 25.7 | Very low | 25.9 | Very low | 86 Ų | 86 | 119.2 Ų | 119.2 | 60% | 0.601 | 64% | 0.644 | S | S | * | * | cis | 78.9 | 156.3 | 32.7 | -52.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 324 | F | 24.7 | Very low | 25.8 | Very low | 164 Ų | 164 | 120.8 Ų | 120.8 | 72% | 0.719 | 65% | 0.649 | S | S | * | * | trans | 80.6 | 99.6 | -165.9 | -57.2 | -72.1 | 0 | 0 | 0 | 114 | I326 | F324-I326 HydrophobicContact CD1-CD1 3.72Å; F324-I326 HydrophobicContact CD1-CG1 4.16Å; F324-I326 HydrophobicContact CE1-CD1 3.69Å | ||
| 325 | V | 31.2 | Very low | 25.9 | Very low | 131 Ų | 131 | 120.7 Ų | 120.7 | 79% | 0.794 | 65% | 0.653 | S | S | * | * | cis | 63.5 | 158.8 | 15.1 | -166.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 326 | I | 27.1 | Very low | 26 | Very low | 103 Ų | 103 | 125 Ų | 125 | 53% | 0.528 | 68% | 0.675 | S | S | . | * | trans | 91.5 | 134.1 | 179 | -60.8 | -175 | 0 | 0 | 0 | 112.9 | F324 | F324-I326 HydrophobicContact CD1-CD1 3.72Å; F324-I326 HydrophobicContact CD1-CG1 4.16Å; F324-I326 HydrophobicContact CE1-CD1 3.69Å | ||
| 327 | D | 27.1 | Very low | 26 | Very low | 135 Ų | 135 | 120.8 Ų | 120.8 | 72% | 0.722 | 67% | 0.674 | S | S | * | * | cis | -109.7 | 143.2 | 8.1 | -85.1 | -67.5 | 0 | 0 | 0 | 112.5 | ||||
| 328 | N | 26.8 | Very low | 26.1 | Very low | 93 Ų | 93 | 124.9 Ų | 124.9 | 50% | 0.497 | 69% | 0.691 | S | S | . | * | 75.6 | 111.1 | 53.3 | -60.9 | -33 | 0 | 0 | 0 | 115.7 | |||||
| 329 | Q | 28.4 | Very low | 26.2 | Very low | 187 Ų | 187 | 127.4 Ų | 127.4 | 87% | 0.874 | 69% | 0.692 | S | S | * | * | -172.7 | 119.1 | 112.8 | -95.9 | 159.6 | 39.2 | 0 | 0 | 107.1 | |||||
| 330 | V | 26.6 | Very low | 26.1 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 71% | 0.709 | 70% | 0.703 | S | S | * | * | cis | 71.3 | 105.8 | 37.9 | -171.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 331 | C | 25.8 | Very low | 26 | Very low | 114 Ų | 114 | 129 Ų | 129 | 77% | 0.77 | 70% | 0.701 | S | S | * | * | trans | 159.7 | 160.4 | 151.6 | -94.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 332 | P | 27.1 | Very low | 25.9 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 68% | 0.675 | 71% | 0.705 | S | S | * | * | cis | -127.6 | 147.8 | -30 | 37.4 | -21.4 | 0 | 0 | 0 | 112 | ||||
| 333 | I | 24.7 | Very low | 25.7 | Very low | 131 Ų | 131 | 131.4 Ų | 131.4 | 67% | 0.672 | 71% | 0.71 | S | S | * | * | 56.8 | 102.8 | 97.3 | -46.7 | 164.6 | 0 | 0 | 0 | 115.2 | |||||
| 334 | D | 25.2 | Very low | 25.6 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | 177.6 | 127.6 | 115.2 | -93.2 | -37.9 | 0 | 0 | 0 | 108.1 | |||||
| 335 | N | 25 | Very low | 25.6 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 66% | 0.658 | 72% | 0.715 | S | S | * | * | 74.9 | 147.9 | 58.9 | -67.1 | -44.6 | 0 | 0 | 0 | 114.2 | |||||
| 336 | I | 26 | Very low | 25.2 | Very low | 157 Ų | 157 | 130 Ų | 130 | 81% | 0.805 | 72% | 0.715 | S | S | * | * | trans | 70.4 | 121.2 | 168.1 | -56.9 | 147.2 | 0 | 0 | 0 | 113.8 | ||||
| 337 | C | 23.3 | Very low | 25.3 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | cis | -154.7 | 151.8 | -5.8 | -132.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 338 | N | 26.8 | Very low | 25.3 | Very low | 146 Ų | 146 | 133.4 Ų | 133.4 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | trans | -57.6 | 133.1 | 141 | -81.1 | -57.5 | 0 | 0 | 0 | 108.4 | ||||
| 339 | Q | 24.8 | Very low | 25.3 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | 174.3 | 137 | 116.9 | -95.7 | 172.9 | 24.9 | 0 | 0 | 113.8 | |||||
| 340 | Q | 23.7 | Very low | 25.1 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | trans | 72.4 | 154.4 | 134.8 | -72.3 | 176.3 | 1.5 | 0 | 0 | 121.3 | ||||
| 341 | L | 23.6 | Very low | 25.3 | Very low | 130 Ų | 130 | 137 Ų | 137 | 68% | 0.681 | 73% | 0.732 | S | S | * | * | trans | 61.9 | 99.4 | 159.4 | -63.9 | 156.8 | 0 | 0 | 0 | 115.2 | ||||
| 342 | Q | 22.9 | Very low | 25.3 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 73% | 0.729 | 72% | 0.721 | S | S | * | * | 65 | 132.1 | 77.9 | -70.7 | -173.6 | -11.1 | 0 | 0 | 113.8 | |||||
| 343 | T | 23.5 | Very low | 25.2 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 83% | 0.834 | 72% | 0.718 | S | S | * | * | trans | 48.2 | 118.2 | 149 | 58.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 344 | G | 23.9 | Very low | 25.2 | Very low | 72 Ų | 72 | 134.2 Ų | 134.2 | 74% | 0.742 | 72% | 0.718 | S | S | * | * | trans | -158.1 | -28.4 | 178 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 345 | S | 24.3 | Very low | 25.1 | Very low | 96 Ų | 96 | 136.7 Ų | 136.7 | 67% | 0.671 | 72% | 0.719 | S | S | * | * | trans | 63.1 | 165.3 | 172 | -166.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 346 | F | 23.3 | Very low | 25 | Very low | 184 Ų | 184 | 136.6 Ų | 136.6 | 81% | 0.807 | 72% | 0.715 | S | S | * | * | trans | 63.7 | 136.2 | 175 | -49.2 | -74.6 | 0 | 0 | 0 | 115.4 | ||||
| 347 | V | 28.3 | Very low | 24.9 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 78% | 0.782 | 70% | 0.704 | S | S | * | * | S | Bend | cis | -117.6 | 127.6 | 19.3 | 171.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 348 | K | 27.1 | Very low | 24.9 | Very low | 181 Ų | 181 | 139.1 Ų | 139.1 | 79% | 0.787 | 71% | 0.705 | S | S | * | * | trans | 39.1 | 90.1 | 152.5 | -64.2 | 176 | -179.8 | 174.8 | 0 | 118.2 | ||||
| 349 | N | 27 | Very low | 24.8 | Very low | 139 Ų | 139 | 137.5 Ų | 137.5 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | -22.4 | 152.6 | 118.4 | -166.7 | 9.6 | 0 | 0 | 0 | 114.8 | |||||
| 350 | K | 25.1 | Very low | 24.9 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 64% | 0.639 | 71% | 0.71 | S | S | * | * | trans | 90 | 123.3 | -170.1 | -64.5 | -175.2 | 163.5 | -151.2 | 0 | 114.8 | ||||
| 351 | Y | 29.8 | Very low | 25.1 | Very low | 185 Ų | 185 | 131.4 Ų | 131.4 | 73% | 0.725 | 72% | 0.715 | S | S | * | * | cis | -124.4 | 124.1 | -5.1 | -76 | -91.2 | 0 | 0 | 0 | 106.5 | ||||
| 352 | S | 25.4 | Very low | 25.5 | Very low | 78 Ų | 78 | 131 Ų | 131 | 55% | 0.545 | 72% | 0.72 | S | S | . | * | cis | 54.1 | 109.9 | 27.8 | -177.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 353 | S | 26 | Very low | 25.7 | Very low | 87 Ų | 87 | 131.9 Ų | 131.9 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | trans | 55.3 | 132.1 | 162.7 | 78 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 354 | D | 24.5 | Very low | 25.8 | Very low | 127 Ų | 127 | 131 Ų | 131 | 68% | 0.679 | 72% | 0.722 | S | S | * | * | -149.6 | 162 | 54.3 | -65.1 | -32.2 | 0 | 0 | 0 | 109.8 | |||||
| 355 | Y | 23.1 | Very low | 25.9 | Very low | 183 Ų | 183 | 135.4 Ų | 135.4 | 72% | 0.718 | 72% | 0.722 | S | S | * | * | cis | -157.7 | -175.5 | -1.1 | -129.5 | -151.4 | 0 | 0 | 0 | 111.2 | ||||
| 356 | Q | 23 | Very low | 26.1 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 57% | 0.57 | 73% | 0.73 | S | S | * | * | trans | -11.3 | 151.4 | 139.1 | -61.7 | -175.5 | -61 | 0 | 0 | 117.2 | ||||
| 357 | E | 23 | Very low | 26.3 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 59% | 0.589 | 72% | 0.724 | S | S | * | * | cis | -176.3 | -166.6 | -0.1 | -111.1 | 162.3 | -170.2 | 0 | 0 | 108.6 | ||||
| 358 | Y | 23.9 | Very low | 26.3 | Very low | 193 Ų | 193 | 134.3 Ų | 134.3 | 76% | 0.757 | 73% | 0.728 | S | S | * | * | trans | 58.7 | 95.4 | 149.9 | -71.9 | -61.6 | 0 | 0 | 0 | 120.1 | ||||
| 359 | S | 24.9 | Very low | 26.3 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | 40.6 | 116.6 | 119.5 | 64 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 360 | G | 27.2 | Very low | 26.3 | Very low | 80 Ų | 80 | 132.8 Ų | 132.8 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | trans | 165.6 | 112.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 361 | A | 26.9 | Very low | 26.2 | Very low | 98 Ų | 98 | 133 Ų | 133 | 81% | 0.81 | 74% | 0.735 | S | S | * | * | trans | -79.9 | 157.7 | 153 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 362 | P | 32.4 | Very low | 25.9 | Very low | 121 Ų | 121 | 131.7 Ų | 131.7 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | -144.1 | -165.2 | 62.2 | 41.2 | -21.6 | 0 | 0 | 0 | 115.6 | |||||
| 363 | E | 27.6 | Very low | 25.9 | Very low | 174 Ų | 174 | 133.7 Ų | 133.7 | 81% | 0.813 | 74% | 0.739 | S | S | * | * | trans | -58.8 | 157 | -177.8 | -49.9 | 144 | 135.7 | 0 | 0 | 114.9 | ||||
| 364 | C | 25.4 | Very low | 25.8 | Very low | 118 Ų | 118 | 138 Ų | 138 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | -178.5 | 160.3 | 119.5 | -96.9 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 365 | F | 25 | Very low | 25.8 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | trans | -41.8 | 157.8 | 175.7 | -65.8 | -101.6 | 0 | 0 | 0 | 119.7 | T367 | F365-T367 PolarHBondContact O-N 3.43Š| ||
| 366 | P | 29.7 | Very low | 25.8 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 86% | 0.857 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -85.2 | 71 | 146.1 | 37.3 | -31.2 | 0 | 0 | 0 | 111.3 | ||
| 367 | T | 27.2 | Very low | 26.1 | Very low | 110 Ų | 110 | 135 Ų | 135 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | trans | -119.6 | 93.2 | 167.9 | -53.7 | 0 | 0 | 0 | 0 | 108.2 | F365 | F365-T367 PolarHBondContact O-N 3.43Š| ||
| 368 | V | 27.4 | Very low | 26.2 | Very low | 143 Ų | 143 | 133.2 Ų | 133.2 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | trans | -124.8 | 124 | -179.9 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 369 | H | 27.8 | Very low | 26.3 | Very low | 169 Ų | 169 | 128 Ų | 128 | 78% | 0.782 | 75% | 0.746 | S | S | * | * | trans | -132.3 | 170.5 | -175.3 | -159.9 | -83 | 0 | 0 | 0 | 107.4 | ||||
| 370 | T | 27 | Very low | 26.6 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | trans | 86.5 | 166.9 | 161.9 | -25.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 371 | L | 23.7 | Very low | 26.5 | Very low | 150 Ų | 150 | 132.9 Ų | 132.9 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | 73.1 | 121.5 | -162.4 | -48.8 | 178.4 | 0 | 0 | 0 | 111.5 | ||||
| 372 | E | 23.7 | Very low | 26.6 | Very low | 158 Ų | 158 | 132.6 Ų | 132.6 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | cis | -165.9 | 164.7 | 0.9 | -132.2 | 179.2 | -147.1 | 0 | 0 | 107.9 | ||||
| 373 | L | 24.7 | Very low | 26.4 | Very low | 120 Ų | 120 | 135 Ų | 135 | 63% | 0.628 | 73% | 0.734 | S | S | * | * | cis | -146.6 | 155.2 | 16 | -87.6 | 163.5 | 0 | 0 | 0 | 111.5 | ||||
| 374 | F | 23.7 | Very low | 26.3 | Very low | 178 Ų | 178 | 131.2 Ų | 131.2 | 78% | 0.781 | 73% | 0.727 | S | S | * | * | trans | 52.5 | 143.3 | 149.5 | -78.1 | -62.4 | 0 | 0 | 0 | 126.2 | ||||
| 375 | T | 24.6 | Very low | 26.2 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | trans | 60 | 106.2 | 155.6 | 49.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 376 | S | 23.8 | Very low | 26.4 | Very low | 89 Ų | 89 | 127.7 Ų | 127.7 | 62% | 0.622 | 72% | 0.724 | S | S | * | * | 64.6 | 133.7 | 70.4 | 82 | 0 | 0 | 0 | 0 | 113 | |||||
| 377 | H | 28.5 | Very low | 26.3 | Very low | 165 Ų | 165 | 130 Ų | 130 | 76% | 0.764 | 72% | 0.723 | S | S | * | * | cis | -146.6 | 162.4 | 35.8 | -105.8 | -81.5 | 0 | 0 | 0 | 114.7 | ||||
| 378 | S | 25.5 | Very low | 26.4 | Very low | 89 Ų | 89 | 130.2 Ų | 130.2 | 62% | 0.622 | 73% | 0.727 | S | S | * | * | trans | -13 | 157.2 | 136.2 | 59.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 379 | S | 25.6 | Very low | 26.3 | Very low | 84 Ų | 84 | 128.2 Ų | 128.2 | 59% | 0.587 | 72% | 0.719 | S | S | * | * | cis | -165.6 | -157.9 | 12.3 | 22.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 380 | D | 30.4 | Very low | 26.2 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | trans | 72.9 | 98.6 | 150.4 | -47.5 | -48 | 0 | 0 | 0 | 115.4 | ||||
| 381 | L | 26.3 | Very low | 26.2 | Very low | 157 Ų | 157 | 129.6 Ų | 129.6 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | cis | 44.3 | 129.8 | 41.5 | -93 | 169.9 | 0 | 0 | 0 | 111.9 | ||||
| 382 | P | 29.5 | Very low | 26.3 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 59% | 0.591 | 72% | 0.722 | S | S | * | * | cis | -147.4 | -154.8 | 25.9 | 40 | -15.5 | 0 | 0 | 0 | 114.1 | ||||
| 383 | H | 26.8 | Very low | 26.4 | Very low | 171 Ų | 171 | 124.7 Ų | 124.7 | 79% | 0.792 | 72% | 0.719 | S | S | * | * | trans | 35.3 | 138 | 139 | -59.3 | -26.1 | 0 | 0 | 0 | 120.7 | ||||
| 384 | S | 25.4 | Very low | 26.7 | Very low | 95 Ų | 95 | 127.8 Ų | 127.8 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | cis | -174.5 | -179.9 | 5.6 | 45 | 0 | 0 | 0 | 0 | 110 | ||||
| 385 | S | 25.1 | Very low | 26.8 | Very low | 99 Ų | 99 | 124.4 Ų | 124.4 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | trans | 46.7 | 123.5 | 142.2 | 63.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 386 | S | 28.1 | Very low | 27.2 | Very low | 110 Ų | 110 | 124.7 Ų | 124.7 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | -168.6 | 141.9 | 53.3 | 45.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 387 | H | 27.5 | Very low | 27.4 | Very low | 180 Ų | 180 | 128.3 Ų | 128.3 | 83% | 0.833 | 74% | 0.736 | S | S | * | * | trans | -57.8 | 145.4 | 148 | -79.8 | -59.2 | 0 | 0 | 0 | 109.1 | ||||
| 388 | P | 29.1 | Very low | 27.4 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | -141.4 | 141 | 76 | 36.6 | -20.1 | 0 | 0 | 0 | 116.3 | |||||
| 389 | S | 25.8 | Very low | 27.7 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | trans | -62.6 | 140 | 148 | 44.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 390 | K | 26.2 | Very low | 27.7 | Very low | 183 Ų | 183 | 131.2 Ų | 131.2 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | trans | -169.9 | 126.4 | 145.1 | -110.3 | 159.7 | -173.4 | 175.7 | 0 | 114.3 | ||||
| 391 | N | 25.6 | Very low | 27.7 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | trans | 64.1 | 137 | 130.2 | -71.8 | 13.9 | 0 | 0 | 0 | 122.4 | ||||
| 392 | V | 26.6 | Very low | 27.8 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 86% | 0.861 | 74% | 0.74 | S | S | * | * | trans | 69.1 | 126.7 | 138.1 | 171.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 393 | G | 26 | Very low | 27.8 | Very low | 64 Ų | 64 | 132.8 Ų | 132.8 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | trans | 167.4 | 93.8 | 155.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 394 | E | 29.9 | Very low | 27.9 | Very low | 185 Ų | 185 | 134.1 Ų | 134.1 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | 39.1 | 115 | 131.4 | -55.4 | -171.9 | 148.8 | 0 | 0 | 119.8 | ||||
| 395 | S | 27.6 | Very low | 28 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -75.1 | 140.7 | 155.1 | 52.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 396 | P | 32.7 | Very low | 28.1 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | -115.4 | 127.4 | 132.7 | -4.4 | 24.6 | 0 | 0 | 0 | 109.3 | ||||
| 397 | K | 26.8 | Very low | 28.1 | Very low | 165 Ų | 165 | 141 Ų | 141 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | 82.3 | 122.8 | 53.3 | -79.4 | -172.4 | 175.6 | 178.7 | 0 | 114.2 | |||||
| 398 | H | 28.8 | Very low | 28.1 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | 72.7 | 157.9 | 154.9 | -63.7 | -147.3 | 0 | 0 | 0 | 115 | ||||
| 399 | L | 31 | Very low | 28.4 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | cis | -133.8 | 171.7 | 9.3 | -161 | 63.2 | 0 | 0 | 0 | 112.3 | ||||
| 400 | S | 26 | Very low | 28.4 | Very low | 80 Ų | 80 | 145.7 Ų | 145.7 | 56% | 0.559 | 77% | 0.769 | S | S | * | * | trans | -79.9 | 161.9 | -176.6 | 54.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 401 | N | 32 | Very low | 28.6 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | 174.3 | 119.8 | 115.2 | -80.1 | -2.9 | 0 | 0 | 0 | 107.8 | |||||
| 402 | D | 26.7 | Very low | 28.7 | Very low | 137 Ų | 137 | 144 Ų | 144 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | 61.5 | 95.1 | 79.6 | -77.2 | -44 | 0 | 0 | 0 | 115.1 | |||||
| 403 | T | 30.8 | Very low | 28.8 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 87% | 0.871 | 76% | 0.761 | S | S | * | * | 178.7 | 147.7 | 109.2 | 28.4 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 404 | K | 27.6 | Very low | 29 | Very low | 199 Ų | 199 | 149.4 Ų | 149.4 | 87% | 0.865 | 76% | 0.764 | S | S | * | * | trans | -96.2 | 142 | 155.5 | -67.9 | 176.7 | 177.6 | 175.8 | 0 | 108.4 | ||||
| 405 | P | 28.7 | Very low | 28.9 | Very low | 112 Ų | 112 | 147.9 Ų | 147.9 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | -140.6 | 136.5 | 120.4 | 15.1 | 7.4 | 0 | 0 | 0 | 112.5 | |||||
| 406 | I | 26.2 | Very low | 28.9 | Very low | 147 Ų | 147 | 146 Ų | 146 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | 98.6 | 111.3 | 63.4 | -75.5 | 165.5 | 0 | 0 | 0 | 113.9 | |||||
| 407 | K | 28.3 | Very low | 28.7 | Very low | 191 Ų | 191 | 146.3 Ų | 146.3 | 83% | 0.83 | 75% | 0.749 | S | S | * | * | trans | 56.9 | 146.4 | 143.6 | -63.9 | 179.3 | -177.2 | -176.8 | 0 | 124.4 | ||||
| 408 | Y | 27.7 | Very low | 28.7 | Very low | 213 Ų | 213 | 144 Ų | 144 | 84% | 0.835 | 74% | 0.744 | S | S | * | * | trans | -44.9 | 161.9 | 155.2 | -55.2 | -92.8 | 0 | 0 | 0 | 114.9 | ||||
| 409 | P | 34.9 | Very low | 28.5 | Very low | 120 Ų | 120 | 141 Ų | 141 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | -115 | 160.1 | 78.5 | -3.2 | 24.3 | 0 | 0 | 0 | 113.4 | |||||
| 410 | E | 27.3 | Very low | 28.2 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | cis | 91.4 | 130.4 | 35 | -114.1 | -163.2 | 151.9 | 0 | 0 | 116.7 | ||||
| 411 | L | 28.4 | Very low | 28.4 | Very low | 138 Ų | 138 | 141.8 Ų | 141.8 | 72% | 0.723 | 75% | 0.748 | S | S | * | * | trans | 84.8 | 144.1 | 145.3 | -75 | 168.3 | 0 | 0 | 0 | 124.9 | ||||
| 412 | L | 29.4 | Very low | 28.1 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | 84 | 75.4 | 151.2 | -70.6 | 159.9 | 0 | 0 | 0 | 122.6 | ||||
| 413 | Q | 27.6 | Very low | 28.3 | Very low | 156 Ų | 156 | 143.3 Ų | 143.3 | 73% | 0.729 | 75% | 0.754 | S | S | * | * | 4.5 | 119.2 | 115.9 | -170.1 | -156 | 68.4 | 0 | 0 | 117.9 | |||||
| 414 | K | 30.6 | Very low | 28.2 | Very low | 165 Ų | 165 | 141.8 Ų | 141.8 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | 173.9 | 128.1 | 117.1 | -95.9 | -179.7 | -175.9 | 177.3 | 0 | 115.7 | |||||
| 415 | I | 26.9 | Very low | 28.3 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | 43.9 | 125 | 129.7 | -54.1 | 170.5 | 0 | 0 | 0 | 120.3 | |||||
| 416 | G | 28.8 | Very low | 28.7 | Very low | 69 Ų | 69 | 136.2 Ų | 136.2 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | trans | 86.2 | 162.7 | 149.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 417 | E | 27.3 | Very low | 28.9 | Very low | 125 Ų | 125 | 136 Ų | 136 | 58% | 0.584 | 75% | 0.745 | S | S | * | * | cis | -166.4 | 166.4 | -23.4 | -141.1 | 178.2 | -117.1 | 0 | 0 | 107.5 | ||||
| 418 | N | 27.9 | Very low | 28.9 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 62% | 0.62 | 74% | 0.735 | S | S | * | * | trans | 60.8 | 108 | 156.8 | -56.3 | -34.1 | 0 | 0 | 0 | 121.8 | ||||
| 419 | C | 24.7 | Very low | 28.9 | Very low | 101 Ų | 101 | 128.3 Ų | 128.3 | 68% | 0.682 | 73% | 0.733 | S | S | * | * | 72.5 | 132.9 | 116.7 | -63.1 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 420 | N | 25 | Very low | 28.4 | Very low | 150 Ų | 150 | 131.4 Ų | 131.4 | 80% | 0.802 | 74% | 0.735 | S | S | * | * | trans | 52 | 103.7 | 133.3 | -55.7 | -13.8 | 0 | 0 | 0 | 119.4 | ||||
| 421 | S | 28.8 | Very low | 28.4 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | -170.2 | 117.6 | 108.8 | 43.8 | 0 | 0 | 0 | 0 | 115 | |||||
| 422 | N | 26.4 | Very low | 28.4 | Very low | 154 Ų | 154 | 128.7 Ų | 128.7 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | 60.2 | -176.6 | 129.6 | -56.2 | -26.5 | 0 | 0 | 0 | 120.8 | |||||
| 423 | I | 30.2 | Very low | 28.4 | Very low | 154 Ų | 154 | 129.2 Ų | 129.2 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | trans | 75.6 | 71.3 | 164.9 | -44.5 | -172.2 | 0 | 0 | 0 | 115.9 | ||||
| 424 | S | 29.7 | Very low | 28.5 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 76% | 0.762 | 72% | 0.721 | S | S | * | * | trans | 43 | 116.1 | 130.6 | 60.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 425 | G | 29 | Very low | 28.3 | Very low | 60 Ų | 60 | 123.4 Ų | 123.4 | 62% | 0.619 | 72% | 0.722 | S | S | * | * | trans | -85.8 | 178.1 | 156.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 426 | P | 38.2 | Very low | 28.4 | Very low | 135 Ų | 135 | 126.9 Ų | 126.9 | 88% | 0.877 | 73% | 0.727 | S | S | * | * | trans | -80.4 | 142.1 | 169.9 | 33.1 | -32.6 | 0 | 0 | 0 | 111.5 | ||||
| 427 | N | 29.9 | Very low | 28.2 | Very low | 142 Ų | 142 | 128.2 Ų | 128.2 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | trans | -95.1 | 144.4 | 177.8 | -80.3 | -71.7 | 0 | 0 | 0 | 111.7 | ||||
| 428 | L | 28.2 | Very low | 28.2 | Very low | 119 Ų | 119 | 126.8 Ų | 126.8 | 62% | 0.623 | 73% | 0.728 | S | S | * | * | trans | 57.3 | 147.7 | 142.5 | -84.9 | 61.3 | 0 | 0 | 0 | 119.1 | F430 | L428-F430 HydrophobicContact CD2-CB 4.01Å; L428-F430 HydrophobicContact CD2-CD2 3.68Å; L428-F430 HydrophobicContact CD2-CG 4.2Å; L428-F430 HydrophobicContact CG-CD2 3.95Å | ||
| 429 | P | 27.5 | Very low | 28.1 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 81% | 0.805 | 74% | 0.742 | S | S | * | * | -116.6 | 134.9 | 87 | 33.4 | -33.8 | 0 | 0 | 0 | 114.2 | |||||
| 430 | F | 25.3 | Very low | 28.2 | Very low | 185 Ų | 185 | 133.6 Ų | 133.6 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | trans | -91.6 | 120 | 158.6 | -114.5 | -115.2 | 0 | 0 | 0 | 108.1 | L428 | L428-F430 HydrophobicContact CD2-CB 4.01Å; L428-F430 HydrophobicContact CD2-CD2 3.68Å; L428-F430 HydrophobicContact CD2-CG 4.2Å; L428-F430 HydrophobicContact CG-CD2 3.95Å | ||
| 431 | I | 27.2 | Very low | 28.3 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | trans | -146.7 | 128.1 | 163.1 | -60.7 | -176.5 | 0 | 0 | 0 | 106 | ||||
| 432 | S | 28.8 | Very low | 28.2 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 61% | 0.608 | 75% | 0.747 | S | S | * | * | cis | -157.7 | 140.7 | -17.3 | 48.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 433 | H | 28 | Very low | 28.3 | Very low | 154 Ų | 154 | 132.6 Ų | 132.6 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | -155.6 | 142.9 | 97.5 | -110.3 | -87 | 0 | 0 | 0 | 112.5 | |||||
| 434 | S | 29.9 | Very low | 28.2 | Very low | 79 Ų | 79 | 130.3 Ų | 130.3 | 55% | 0.552 | 74% | 0.738 | S | S | * | * | trans | 13.7 | 119.7 | 150.3 | 50.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 435 | T | 26.3 | Very low | 28.2 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | cis | 51.8 | 145.7 | 18.9 | 54.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 436 | Y | 29 | Very low | 28.2 | Very low | 226 Ų | 226 | 132.2 Ų | 132.2 | 89% | 0.886 | 74% | 0.741 | S | S | * | * | trans | 66.5 | 155.1 | -177.1 | -76.8 | -106.7 | 0 | 0 | 0 | 116.8 | ||||
| 437 | C | 25.7 | Very low | 27.7 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 66% | 0.655 | 73% | 0.727 | S | S | * | * | cis | -170.5 | 174.5 | -35.1 | -160.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 438 | S | 27.4 | Very low | 27.5 | Very low | 94 Ų | 94 | 129.4 Ų | 129.4 | 66% | 0.657 | 72% | 0.724 | S | S | * | * | trans | 34.9 | 108.3 | 154.1 | -65.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 439 | R | 24.8 | Very low | 27.4 | Very low | 240 Ų | 240 | 133.2 Ų | 133.2 | 91% | 0.906 | 73% | 0.73 | S | S | * | * | 67.8 | 73.6 | 79.7 | -167.4 | -155.1 | -167.1 | -171.6 | 5.8 | 115.2 | |||||
| 440 | T | 27.5 | Very low | 27.4 | Very low | 120 Ų | 120 | 133 Ų | 133 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | trans | -150 | 130.6 | 143 | 15.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 441 | Q | 25.9 | Very low | 27.5 | Very low | 185 Ų | 185 | 131.1 Ų | 131.1 | 86% | 0.864 | 71% | 0.712 | S | S | * | * | 50.2 | 122.5 | 104.2 | -60.6 | -173.9 | 12.3 | 0 | 0 | 113.6 | |||||
| 442 | S | 27.3 | Very low | 27.4 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 72% | 0.72 | 71% | 0.71 | S | S | * | * | cis | -151.9 | 166.6 | 17.8 | 56 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 443 | S | 28.3 | Very low | 27.3 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 69% | 0.685 | 71% | 0.714 | S | S | * | * | trans | 33.1 | 134.1 | 146.3 | 57.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 444 | S | 29.3 | Very low | 27.3 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 74% | 0.741 | 72% | 0.721 | S | S | * | * | cis | 174.1 | 154.6 | 8.5 | 39.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 445 | S | 29.7 | Very low | 27.2 | Very low | 96 Ų | 96 | 130.6 Ų | 130.6 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | cis | 179.2 | 158.8 | -11.2 | 51.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 446 | C | 27.3 | Very low | 27.4 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | trans | 67.3 | 145.5 | 153.5 | -71.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 447 | S | 28.3 | Very low | 27.3 | Very low | 84 Ų | 84 | 124.7 Ų | 124.7 | 59% | 0.587 | 73% | 0.726 | S | S | * | * | cis | -155.7 | 142.4 | -3.5 | -106.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 448 | I | 26 | Very low | 27.6 | Very low | 134 Ų | 134 | 128.3 Ų | 128.3 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | 53.1 | 107.6 | 76.7 | -58.8 | 173.3 | 0 | 0 | 0 | 107.3 | |||||
| 449 | R | 26.7 | Very low | 27.8 | Very low | 199 Ų | 199 | 129.1 Ų | 129.1 | 75% | 0.751 | 74% | 0.736 | S | S | * | * | cis | -171.5 | 173 | 48.9 | -131.5 | 162.7 | -170.3 | -133.9 | 15.1 | 112.2 | ||||
| 450 | Q | 27.7 | Very low | 27.9 | Very low | 120 Ų | 120 | 125 Ų | 125 | 56% | 0.561 | 73% | 0.727 | S | S | * | * | trans | 26.7 | 146.2 | 133.8 | -74.6 | 174.4 | -50.7 | 0 | 0 | 120.8 | ||||
| 451 | Q | 26.4 | Very low | 28 | Very low | 145 Ų | 145 | 126 Ų | 126 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | cis | -173.5 | 173.3 | -7.6 | -124.3 | 169.9 | -24.5 | 0 | 0 | 109 | ||||
| 452 | L | 26 | Very low | 28.1 | Very low | 145 Ų | 145 | 124.9 Ų | 124.9 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | trans | 55.1 | 108.1 | 152.6 | -92.6 | 69.1 | 0 | 0 | 0 | 120.5 | ||||
| 453 | A | 25.7 | Very low | 28.3 | Very low | 83 Ų | 83 | 126.1 Ų | 126.1 | 69% | 0.686 | 72% | 0.724 | S | S | * | * | 82.9 | 163.5 | 112.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 454 | T | 28.7 | Very low | 28.4 | Very low | 141 Ų | 141 | 126.6 Ų | 126.6 | 87% | 0.865 | 73% | 0.728 | S | S | * | * | trans | 63.9 | 112 | 168.7 | 45.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 455 | A | 27.6 | Very low | 28.2 | Very low | 93 Ų | 93 | 128.4 Ų | 128.4 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | trans | -78 | 169.7 | 156.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 456 | P | 30 | Very low | 28.2 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 77% | 0.766 | 73% | 0.733 | S | S | * | * | -150.2 | 164.2 | 98.1 | 40.1 | -23.7 | 0 | 0 | 0 | 117.7 | |||||
| 457 | S | 28 | Very low | 28.5 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | 14.3 | 132.3 | 153.8 | 60.3 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 458 | H | 30.4 | Very low | 28.7 | Very low | 173 Ų | 173 | 132.9 Ų | 132.9 | 80% | 0.801 | 74% | 0.737 | S | S | * | * | 12.2 | 143.3 | 125.3 | -92.7 | -64.2 | 0 | 0 | 0 | 120.9 | |||||
| 459 | P | 31.6 | Very low | 29.1 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | -141 | 142.7 | 79.9 | 38.1 | -22.1 | 0 | 0 | 0 | 115.6 | |||||
| 460 | Q | 28.1 | Very low | 29.3 | Very low | 154 Ų | 154 | 131 Ų | 131 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | 68.4 | 127.8 | 98 | -61 | -168.1 | -17.2 | 0 | 0 | 118.6 | |||||
| 461 | L | 28.2 | Very low | 29.3 | Very low | 141 Ų | 141 | 129.9 Ų | 129.9 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | 169 | 117.4 | 115.5 | -86.4 | 167.4 | 0 | 0 | 0 | 108.6 | |||||
| 462 | H | 28.9 | Very low | 29.4 | Very low | 160 Ų | 160 | 129.2 Ų | 129.2 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | 64.1 | 133.3 | 96 | -80.2 | -147 | 0 | 0 | 0 | 113.9 | |||||
| 463 | V | 30.4 | Very low | 29.6 | Very low | 129 Ų | 129 | 132 Ų | 132 | 78% | 0.782 | 75% | 0.751 | S | S | * | * | cis | -151.8 | 175.8 | 11.2 | -109.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 464 | S | 30.5 | Very low | 29.5 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | cis | -153.5 | 175.4 | 11.2 | -147 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 465 | I | 26.2 | Very low | 29.5 | Very low | 144 Ų | 144 | 132.2 Ų | 132.2 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | trans | -145.2 | 155 | 176.9 | -62.5 | 171.1 | 0 | 0 | 0 | 109.5 | ||||
| 466 | P | 30.5 | Very low | 29.5 | Very low | 120 Ų | 120 | 137 Ų | 137 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | -131.9 | 146.1 | 144.4 | 37.6 | -26.8 | 0 | 0 | 0 | 113.4 | ||||
| 467 | Q | 32.2 | Very low | 29.3 | Very low | 185 Ų | 185 | 136.6 Ų | 136.6 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | cis | -160.5 | 157.8 | -28.8 | -134.8 | 170 | 0.7 | 0 | 0 | 108.2 | ||||
| 468 | S | 32.1 | Very low | 29.2 | Very low | 81 Ų | 81 | 137.8 Ų | 137.8 | 57% | 0.566 | 76% | 0.758 | S | S | * | * | trans | -96.3 | -179.8 | -179.3 | 60.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 469 | P | 34.9 | Very low | 29.1 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | -135.7 | 160.3 | 70.5 | 44.6 | -30.7 | 0 | 0 | 0 | 112.5 | |||||
| 470 | Q | 31.1 | Very low | 29.3 | Very low | 174 Ų | 174 | 134.9 Ų | 134.9 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | cis | 65 | 151.8 | 35.5 | -62.7 | -166.2 | -3.4 | 0 | 0 | 113.6 | ||||
| 471 | S | 28.9 | Very low | 29.2 | Very low | 97 Ų | 97 | 135 Ų | 135 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | cis | -131.1 | -174.4 | -5.4 | 58.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 472 | I | 28.6 | Very low | 29.3 | Very low | 131 Ų | 131 | 138 Ų | 138 | 67% | 0.672 | 77% | 0.773 | S | S | * | * | cis | -145.8 | -179.9 | 17.3 | 7.8 | 173.2 | 0 | 0 | 0 | 107 | ||||
| 473 | Y | 28.3 | Very low | 29.1 | Very low | 205 Ų | 205 | 139.7 Ų | 139.7 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | cis | -144.2 | -154.4 | 10.4 | -134.3 | -40.7 | 0 | 0 | 0 | 110.6 | ||||
| 474 | S | 25.2 | Very low | 29 | Very low | 98 Ų | 98 | 140.2 Ų | 140.2 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | trans | -159.5 | 159.3 | 179.7 | 57.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 475 | V | 27.3 | Very low | 28.6 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | trans | -163.3 | 122.6 | 154.9 | 133.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 476 | F | 27.7 | Very low | 28.7 | Very low | 194 Ų | 194 | 138.4 Ų | 138.4 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | 42.7 | 118.8 | 157.2 | -70.8 | -94.6 | 0 | 0 | 0 | 123.4 | ||||
| 477 | S | 25.5 | Very low | 28.4 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -86.8 | 155.6 | 149.3 | 52.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 478 | C | 27.1 | Very low | 28.3 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | trans | -158.1 | 159.8 | 149.4 | -119.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 479 | S | 27.7 | Very low | 28 | Very low | 112 Ų | 112 | 136 Ų | 136 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -131 | -160.8 | 179.4 | -54.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 480 | P | 35.7 | Very low | 27.8 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | -117.6 | 174.5 | -97.5 | 38.2 | -24.5 | 0 | 0 | 0 | 114.1 | |||||
| 481 | N | 26 | Very low | 27.8 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | trans | 40.8 | 102.3 | 155.1 | -75.5 | -24.5 | 0 | 0 | 0 | 118.7 | ||||
| 482 | Q | 29.8 | Very low | 27.6 | Very low | 203 Ų | 203 | 137.6 Ų | 137.6 | 95% | 0.949 | 79% | 0.785 | S | S | * | * | trans | -146.3 | 154.2 | 145.2 | -124.1 | 175.3 | 45.8 | 0 | 0 | 114.8 | ||||
| 483 | K | 24.9 | Very low | 27.6 | Very low | 196 Ų | 196 | 136.3 Ų | 136.3 | 85% | 0.852 | 79% | 0.785 | S | S | * | * | trans | -84.4 | 141.3 | -173.3 | -47.1 | 162.8 | -177.8 | 174.5 | 0 | 111 | ||||
| 484 | V | 27.9 | Very low | 27.6 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | trans | -141.9 | 143.1 | 134.8 | -178.4 | 0 | 0 | 0 | 0 | 107.6 | V486 | V484-V486 HydrophobicContact CG1-CG2 4.42Š| ||
| 485 | A | 22.5 | Very low | 27.7 | Very low | 88 Ų | 88 | 130.9 Ų | 130.9 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -116.4 | 124.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 486 | V | 29.2 | Very low | 27.9 | Very low | 126 Ų | 126 | 131 Ų | 131 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | -142.9 | 112.8 | 164.9 | -176 | 0 | 0 | 0 | 0 | 104.4 | V484 | V484-V486 HydrophobicContact CG1-CG2 4.42Š| ||
| 487 | S | 22.8 | Very low | 27.8 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | cis | 72.6 | 63.1 | 40 | -56.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 488 | S | 30.7 | Very low | 27.9 | Very low | 95 Ų | 95 | 125.4 Ų | 125.4 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | trans | -150 | 105.4 | 145.6 | 55.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 489 | T | 25.9 | Very low | 27.8 | Very low | 129 Ų | 129 | 124.1 Ų | 124.1 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | 51.5 | 125 | 85.4 | 66.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 490 | V | 30.9 | Very low | 27.7 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 70% | 0.703 | 74% | 0.744 | S | S | * | * | -155.8 | 140 | 66.1 | 156 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 491 | N | 30.2 | Very low | 27.3 | Very low | 143 Ų | 143 | 123.2 Ų | 123.2 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | trans | 51.6 | 121 | 160.5 | -57.3 | -4.8 | 0 | 0 | 0 | 118.4 | ||||
| 492 | L | 25.9 | Very low | 27.3 | Very low | 166 Ų | 166 | 122.5 Ų | 122.5 | 87% | 0.869 | 74% | 0.739 | S | S | * | * | cis | 55.1 | 146.1 | 49 | -94.7 | 78.4 | 0 | 0 | 0 | 114.8 | ||||
| 493 | P | 29.3 | Very low | 27.2 | Very low | 103 Ų | 103 | 118.2 Ų | 118.2 | 67% | 0.669 | 72% | 0.721 | S | S | * | * | cis | -133.5 | 172.7 | 10.1 | 43.2 | -26.9 | 0 | 0 | 0 | 116.9 | ||||
| 494 | S | 27.6 | Very low | 27.5 | Very low | 96 Ų | 96 | 117.9 Ų | 117.9 | 67% | 0.671 | 72% | 0.72 | S | S | * | * | trans | 41.2 | 117.4 | 141.1 | 65.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 495 | S | 27.9 | Very low | 27.5 | Very low | 93 Ų | 93 | 117.1 Ų | 117.1 | 65% | 0.65 | 71% | 0.712 | S | S | * | * | 78.5 | 151.8 | 117.8 | 82.5 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 496 | D | 29.7 | Very low | 27.9 | Very low | 133 Ų | 133 | 116.2 Ų | 116.2 | 71% | 0.711 | 71% | 0.711 | S | S | * | * | trans | 72.2 | 84.3 | 150.7 | -49.1 | -34.2 | 0 | 0 | 0 | 122 | ||||
| 497 | S | 25.7 | Very low | 27.8 | Very low | 85 Ų | 85 | 116.6 Ų | 116.6 | 59% | 0.594 | 71% | 0.708 | S | S | * | * | 73.5 | 173 | 121.5 | 77.4 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 498 | T | 29.4 | Very low | 28.2 | Very low | 100 Ų | 100 | 119.1 Ų | 119.1 | 61% | 0.613 | 71% | 0.706 | S | S | * | * | trans | 61.4 | 92.1 | 168.1 | 58.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 499 | S | 24.7 | Very low | 28.3 | Very low | 101 Ų | 101 | 119 Ų | 119 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | 41.6 | 135.1 | 123.4 | 67.5 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 500 | A | 26.1 | Very low | 28.3 | Very low | 87 Ų | 87 | 116.5 Ų | 116.5 | 72% | 0.719 | 69% | 0.691 | S | S | * | * | 117.3 | 131.3 | 129.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 501 | T | 26.8 | Very low | 28.2 | Very low | 119 Ų | 119 | 120.7 Ų | 120.7 | 73% | 0.73 | 69% | 0.694 | S | S | * | * | trans | 89.1 | 86.8 | 140.9 | -51.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 502 | L | 26.3 | Very low | 28.1 | Very low | 142 Ų | 142 | 118.1 Ų | 118.1 | 74% | 0.743 | 69% | 0.685 | S | S | * | * | 81.7 | 128.8 | 126 | -64.5 | -179.7 | 0 | 0 | 0 | 123.9 | |||||
| 503 | I | 26.6 | Very low | 27.9 | Very low | 113 Ų | 113 | 112.6 Ų | 112.6 | 58% | 0.579 | 66% | 0.656 | S | S | * | * | trans | 72.3 | 110.6 | 136.7 | -63.6 | 164.1 | 0 | 0 | 0 | 119.1 | ||||
| 504 | F | 30.8 | Very low | 27.9 | Very low | 189 Ų | 189 | 115.2 Ų | 115.2 | 83% | 0.829 | 66% | 0.663 | S | S | * | * | -173.5 | 90.1 | 115 | -92 | -68.3 | 0 | 0 | 0 | 107 | |||||
| 505 | N | 29.5 | Very low | 27.7 | Very low | 125 Ų | 125 | 115.7 Ų | 115.7 | 67% | 0.668 | 67% | 0.666 | S | S | * | * | 90.9 | 110.3 | 89.7 | -77.4 | 12.4 | 0 | 0 | 0 | 114.7 | |||||
| 506 | G | 29.7 | Very low | 27.8 | Very low | 69 Ų | 69 | 116.9 Ų | 116.9 | 71% | 0.711 | 67% | 0.674 | S | S | * | * | trans | 106.6 | 82.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 507 | D | 28.3 | Very low | 27.7 | Very low | 133 Ų | 133 | 116 Ų | 116 | 71% | 0.711 | 67% | 0.674 | S | S | * | * | cis | 65.7 | 140 | 24.9 | -54.8 | -64.6 | 0 | 0 | 0 | 113.2 | ||||
| 508 | F | 30.5 | Very low | 27.9 | Very low | 165 Ų | 165 | 117.9 Ų | 117.9 | 72% | 0.724 | 68% | 0.677 | S | S | * | * | cis | -162.7 | 167.6 | 9.4 | -151.5 | -127 | 0 | 0 | 0 | 110 | S510 | F508-S510 WeakPolarHBondContact CE2-OG 3.36Å; F508-S510 WeakPolarHBondContact CZ-OG 3.22Å | ||
| 509 | P | 31.8 | Very low | 27.7 | Very low | 91 Ų | 91 | 119.6 Ų | 119.6 | 59% | 0.591 | 68% | 0.682 | S | S | * | * | cis | -107.7 | 169.4 | -24.8 | 37.6 | -26.9 | 0 | 0 | 0 | 112.5 | ||||
| 510 | S | 26.4 | Very low | 27.8 | Very low | 78 Ų | 78 | 119.4 Ų | 119.4 | 55% | 0.545 | 68% | 0.681 | S | S | . | * | cis | 95.8 | 0 | 8.3 | 90.7 | 0 | 0 | 0 | 0 | 120.5 | F508 P512 | F508-S510 WeakPolarHBondContact CE2-OG 3.36Å; F508-S510 WeakPolarHBondContact CZ-OG 3.22Å; S510-P512 WeakPolarHBondContact O-CD 3.34Å | ||
| 511 | R | 28.9 | Very low | 27.8 | Very low | 204 Ų | 204 | 123.5 Ų | 123.5 | 77% | 0.77 | 68% | 0.683 | S | S | * | * | trans | 91.5 | -100.6 | -178.9 | -59.8 | 169.8 | 164.7 | 173.2 | -3.5 | 117.9 | ||||
| 512 | P | 27.7 | Very low | 27.8 | Very low | 89 Ų | 89 | 128.1 Ų | 128.1 | 58% | 0.578 | 69% | 0.687 | S | S | * | * | -109.2 | 174.1 | -108 | 38.9 | -33.9 | 0 | 0 | 0 | 115 | S510 | S510-P512 WeakPolarHBondContact O-CD 3.34Š| |||
| 513 | I | 23.3 | Very low | 27.9 | Very low | 50 Ų | 50 | 125.7 Ų | 125.7 | 26% | 0.256 | 68% | 0.682 | S | S | . | * | trans | -90.4 | 114.5 | 161 | -40 | 178.6 | 0 | 0 | 0 | 109.1 | K1281 D1282 I1285 | I513-K1281 HydrophobicContact CD1-CB 3.41Å; I513-K1281 VanDerWaalsContact CD1-CB 3.41Å; I513-K1281 VanDerWaalsContact CD1-O 3.27Å; I513-K1281 WeakPolarHBondContact CD1-O 3.18Å; I513-K1281 HydrophobicContact CG1-CB 3.64Å; I513-K1281 HydrophobicContact CG1-CD 4.44Å; I513-D1282 HydrophobicContact CD1-CB 4.27Å; I513-I1285 HydrophobicContact CB-CD1 4.22Å; I513-I1285 HydrophobicContact CD1-CB 4.42Å; I513-I1285 HydrophobicContact CD1-CD1 3.58Å; I513-I1285 HydrophobicContact CD1-CG1 3.77Å; I513-I1285 HydrophobicContact CG1-CD1 4.09Å | ||
| 514 | I | 27.5 | Very low | 28 | Very low | 158 Ų | 158 | 129.2 Ų | 129.2 | 81% | 0.81 | 70% | 0.696 | S | S | * | * | trans | -143.1 | 136.7 | 148.3 | -60.6 | -172.9 | 0 | 0 | 0 | 106.7 | ||||
| 515 | S | 24.3 | Very low | 28 | Very low | 106 Ų | 106 | 125.7 Ų | 125.7 | 74% | 0.741 | 69% | 0.692 | S | S | * | * | trans | -86.5 | 142.3 | -179.8 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 516 | S | 30.9 | Very low | 28 | Very low | 118 Ų | 118 | 125 Ų | 125 | 83% | 0.825 | 70% | 0.697 | S | S | * | * | trans | -164.1 | 145.3 | 131.8 | 57.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 517 | T | 26.9 | Very low | 28 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 70% | 0.699 | 70% | 0.701 | S | S | * | * | trans | -63 | 167.4 | 165 | 53 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 518 | D | 29.2 | Very low | 28.2 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 67% | 0.668 | 70% | 0.703 | S | S | * | * | cis | -161.1 | 148.8 | 45.3 | -109 | -65.4 | 0 | 0 | 0 | 115.3 | ||||
| 519 | N | 26.1 | Very low | 28 | Very low | 135 Ų | 135 | 125.6 Ų | 125.6 | 72% | 0.722 | 70% | 0.704 | S | S | * | * | trans | 37.7 | 128.3 | 141.3 | -82.8 | -57.8 | 0 | 0 | 0 | 123.6 | ||||
| 520 | S | 27.2 | Very low | 27.9 | Very low | 98 Ų | 98 | 124.4 Ų | 124.4 | 69% | 0.685 | 71% | 0.709 | S | S | * | * | 108.9 | 113.5 | 122.8 | 72.7 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 521 | F | 25.3 | Very low | 27.9 | Very low | 173 Ų | 173 | 126.5 Ų | 126.5 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | 99.1 | 111.2 | 120.8 | -92.5 | -133.5 | 0 | 0 | 0 | 122.5 | |||||
| 522 | W | 26.1 | Very low | 27.9 | Very low | 215 Ų | 215 | 121.2 Ų | 121.2 | 81% | 0.814 | 72% | 0.723 | S | S | * | * | trans | 65.9 | 147.1 | 139.3 | -69.1 | 56.4 | 0 | 0 | 0 | 118 | ||||
| 523 | S | 28.1 | Very low | 28 | Very low | 92 Ų | 92 | 123.1 Ų | 123.1 | 64% | 0.643 | 73% | 0.733 | S | S | * | * | cis | -163.3 | 153.1 | -2.5 | 40.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 524 | H | 30.2 | Very low | 28.1 | Very low | 187 Ų | 187 | 127.6 Ų | 127.6 | 87% | 0.866 | 76% | 0.758 | S | S | * | * | trans | -63 | 148.9 | 161.7 | -73.7 | -81.5 | 0 | 0 | 0 | 111.7 | ||||
| 525 | P | 30.7 | Very low | 28.2 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | -146.6 | 176.4 | 101 | 36.6 | -19.4 | 0 | 0 | 0 | 112.7 | |||||
| 526 | S | 28.3 | Very low | 28.3 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | cis | -164.9 | 162 | -15.3 | 42.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 527 | I | 30.1 | Very low | 28 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 80% | 0.795 | 77% | 0.765 | S | S | * | * | trans | -81.8 | 153 | 179.3 | -62 | 155.9 | 0 | 0 | 0 | 112 | ||||
| 528 | P | 32.3 | Very low | 27.9 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | -129.3 | 130.8 | 129.5 | 35.4 | -26.8 | 0 | 0 | 0 | 111.4 | |||||
| 529 | S | 26.1 | Very low | 27.8 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | cis | 99.8 | 112 | 26.8 | 76.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 530 | G | 29.4 | Very low | 27.9 | Very low | 67 Ų | 67 | 133.6 Ų | 133.6 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | 148.9 | 95.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 531 | S | 27.3 | Very low | 27.7 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | 69.6 | 122.5 | 84.8 | 70.2 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 532 | A | 28.2 | Very low | 27.7 | Very low | 92 Ų | 92 | 138.1 Ų | 138.1 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | cis | -152.9 | -152.7 | -2.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 533 | V | 29.6 | Very low | 27.7 | Very low | 130 Ų | 130 | 136.1 Ų | 136.1 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | cis | -153.1 | 162.1 | 22.2 | 178.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 534 | N | 25.5 | Very low | 27.5 | Very low | 143 Ų | 143 | 137 Ų | 137 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | trans | -28.6 | 149.8 | 162.4 | -61 | -11 | 0 | 0 | 0 | 115.8 | ||||
| 535 | T | 30.6 | Very low | 27.3 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | -155.6 | 147.1 | 58.5 | -56.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 536 | Q | 25.3 | Very low | 27.3 | Very low | 176 Ų | 176 | 134.1 Ų | 134.1 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -88 | 150.1 | -179.6 | -57.7 | 161.5 | -46.5 | 0 | 0 | 112.3 | ||||
| 537 | M | 24.6 | Very low | 27.2 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | -172.6 | 110.1 | 123 | -99.5 | -179.9 | -176.8 | 0 | 0 | 109.6 | |||||
| 538 | I | 24.7 | Very low | 27.1 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 72% | 0.723 | 78% | 0.775 | S | S | * | * | 63.5 | 97.7 | 101.7 | -58.8 | 173.3 | 0 | 0 | 0 | 114 | |||||
| 539 | T | 28.2 | Very low | 26.7 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 73% | 0.73 | 77% | 0.771 | S | S | * | * | -166.4 | 130.5 | 114.7 | 25 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 540 | N | 27.9 | Very low | 26.6 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | 51.9 | 126.2 | 150 | -46.5 | -6.6 | 0 | 0 | 0 | 119.6 | ||||
| 541 | W | 24.2 | Very low | 26.4 | Very low | 218 Ų | 218 | 142.5 Ų | 142.5 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | cis | 67.3 | 130.9 | 48.1 | -65.2 | 43.3 | 0 | 0 | 0 | 112.8 | ||||
| 542 | E | 24.3 | Very low | 26.5 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | cis | -158.2 | -174.2 | 1.2 | -131.2 | -178.9 | 168.2 | 0 | 0 | 113.1 | ||||
| 543 | H | 25.8 | Very low | 26.4 | Very low | 174 Ų | 174 | 144.3 Ų | 144.3 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | trans | -76.7 | 154.8 | -175 | -58.5 | -20.1 | 0 | 0 | 0 | 116.2 | ||||
| 544 | S | 24.9 | Very low | 26.3 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | -179.5 | 132.8 | 147.4 | 20.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 545 | V | 26.1 | Very low | 26.3 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 70% | 0.703 | 77% | 0.765 | S | S | * | * | cis | 64.6 | 107.1 | 22.5 | -160.6 | 0 | 0 | 0 | 0 | 113.2 | Y547 | V545-Y547 WeakPolarHBondContact CG1-O 3.22Š| ||
| 546 | P | 29.2 | Very low | 26.1 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 81% | 0.805 | 76% | 0.759 | S | S | * | * | -117.5 | 163.9 | 110 | 34.9 | -35 | 0 | 0 | 0 | 111.4 | |||||
| 547 | Y | 26.7 | Very low | 26.1 | Very low | 217 Ų | 217 | 142.7 Ų | 142.7 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | cis | -12.6 | 136.6 | -10.3 | -72.2 | -76.9 | 0 | 0 | 0 | 118.9 | V545 | V545-Y547 WeakPolarHBondContact CG1-O 3.22Š| ||
| 548 | P | 28.3 | Very low | 26.2 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | -146.3 | -176.7 | 68.3 | 42.1 | -25.4 | 0 | 0 | 0 | 116 | |||||
| 549 | A | 23.2 | Very low | 26.2 | Very low | 81 Ų | 81 | 140.5 Ų | 140.5 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | trans | -82.7 | 150.8 | 156.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 550 | Y | 24.3 | Very low | 26.2 | Very low | 214 Ų | 214 | 142.4 Ų | 142.4 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | trans | -171.3 | 127 | 142.1 | -115.6 | -135.2 | 0 | 0 | 0 | 108.3 | ||||
| 551 | V | 25.9 | Very low | 26.3 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 62% | 0.624 | 76% | 0.764 | S | S | * | * | 82.6 | 130.8 | 78.6 | 164.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 552 | P | 28.8 | Very low | 26.5 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | trans | -83.6 | 177.4 | -179.3 | 36.3 | -38.8 | 0 | 0 | 0 | 113.5 | ||||
| 553 | N | 26.5 | Very low | 26.7 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | 76.9 | 119.4 | 168.4 | -52.9 | -25.1 | 0 | 0 | 0 | 116.9 | ||||
| 554 | S | 27 | Very low | 26.7 | Very low | 109 Ų | 109 | 137 Ų | 137 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | -169.4 | 138.8 | 98.2 | 50 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 555 | Q | 26.8 | Very low | 26.9 | Very low | 168 Ų | 168 | 137.4 Ų | 137.4 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | 177.1 | 136.5 | 126.9 | -97.8 | 171.8 | 41.9 | 0 | 0 | 110.1 | |||||
| 556 | I | 25.9 | Very low | 27 | Very low | 143 Ų | 143 | 138.2 Ų | 138.2 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | trans | 62.6 | 117.2 | 152.2 | -59.7 | 163.6 | 0 | 0 | 0 | 115.7 | ||||
| 557 | T | 26 | Very low | 27 | Very low | 133 Ų | 133 | 139 Ų | 139 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | cis | -166.7 | 159.7 | 4.7 | 15.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 558 | G | 25.7 | Very low | 27 | Very low | 64 Ų | 64 | 135.8 Ų | 135.8 | 66% | 0.66 | 77% | 0.768 | S | S | * | * | trans | 100.9 | 95.3 | 137 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 559 | F | 24.8 | Very low | 27 | Very low | 204 Ų | 204 | 140 Ų | 140 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | trans | 59.1 | 140.6 | 132.9 | -78.6 | -78.3 | 0 | 0 | 0 | 124.2 | ||||
| 560 | L | 28.2 | Very low | 27.1 | Very low | 159 Ų | 159 | 140 Ų | 140 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | 77.1 | 115.1 | 154.8 | -67.1 | 161.9 | 0 | 0 | 0 | 119.7 | ||||
| 561 | P | 29.6 | Very low | 27.1 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | -101.5 | 153.6 | 161.5 | 37.8 | -30.3 | 0 | 0 | 0 | 112.3 | ||||
| 562 | E | 29.2 | Very low | 27.1 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | -165.3 | 152.3 | 153.6 | -118.5 | 178.3 | -130.2 | 0 | 0 | 114.9 | ||||
| 563 | N | 29.1 | Very low | 26.8 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 62% | 0.615 | 80% | 0.795 | S | S | * | * | trans | 61 | 87.1 | 151.3 | -54.7 | -28.8 | 0 | 0 | 0 | 122.9 | ||||
| 564 | I | 25.6 | Very low | 26.8 | Very low | 158 Ų | 158 | 142.9 Ų | 142.9 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | 33.4 | 122.3 | 106 | -55.9 | 166.1 | 0 | 0 | 0 | 118.3 | |||||
| 565 | S | 28.5 | Very low | 26.7 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | -165.8 | 160.1 | 125.4 | 47.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 566 | V | 27.7 | Very low | 26.8 | Very low | 132 Ų | 132 | 144 Ų | 144 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | -141.3 | 134.5 | -171.5 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 567 | T | 30.4 | Very low | 26.7 | Very low | 142 Ų | 142 | 140.2 Ų | 140.2 | 87% | 0.871 | 79% | 0.789 | S | S | * | * | trans | -156.9 | 120.8 | 154.1 | 41.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 568 | D | 26.6 | Very low | 26.8 | Very low | 148 Ų | 148 | 142.4 Ų | 142.4 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -77.7 | 147.9 | 155.4 | -89.1 | -52.5 | 0 | 0 | 0 | 111.5 | ||||
| 569 | K | 27.6 | Very low | 26.7 | Very low | 205 Ų | 205 | 144.5 Ų | 144.5 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | trans | 152.9 | 160.4 | 146.2 | -86.3 | 153.5 | -169.8 | 169.8 | 0 | 111.5 | ||||
| 570 | A | 24.7 | Very low | 26.8 | Very low | 82 Ų | 82 | 140.9 Ų | 140.9 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | cis | 177.6 | 132.5 | -32.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 571 | A | 24.4 | Very low | 26.7 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | 60.5 | 179.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 572 | I | 25.7 | Very low | 26.5 | Very low | 160 Ų | 160 | 137.6 Ų | 137.6 | 82% | 0.821 | 78% | 0.778 | S | S | * | * | cis | -137.9 | 154.1 | 9.9 | -49.6 | 167.2 | 0 | 0 | 0 | 109.2 | ||||
| 573 | Y | 23.5 | Very low | 26.4 | Very low | 222 Ų | 222 | 135.3 Ų | 135.3 | 87% | 0.871 | 77% | 0.767 | S | S | * | * | trans | -56.9 | 149.1 | 164 | -85.4 | -107.1 | 0 | 0 | 0 | 112.4 | ||||
| 574 | V | 26.9 | Very low | 26.5 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 89% | 0.885 | 77% | 0.771 | S | S | * | * | trans | -159.8 | 166.5 | 135 | 128.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 575 | K | 24 | Very low | 26.5 | Very low | 164 Ų | 164 | 133.8 Ų | 133.8 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | trans | -125.4 | 172.4 | -170.4 | -159.4 | -165.8 | 168.3 | -139.7 | 0 | 109.4 | ||||
| 576 | D | 28.4 | Very low | 26.3 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | 70.7 | 149.7 | 172 | -38.4 | -43 | 0 | 0 | 0 | 113.3 | ||||
| 577 | G | 24.7 | Very low | 26.3 | Very low | 64 Ų | 64 | 133 Ų | 133 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | cis | 138.6 | 96.3 | -7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 578 | N | 26.7 | Very low | 26 | Very low | 178 Ų | 178 | 132.4 Ų | 132.4 | 95% | 0.952 | 77% | 0.768 | S | S | * | * | trans | 177.6 | 159.2 | 147.5 | -93.1 | -28 | 0 | 0 | 0 | 111.6 | ||||
| 579 | S | 24.4 | Very low | 26 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -97.3 | 154.1 | 179.8 | 57.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 580 | T | 27.7 | Very low | 25.9 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | -153.4 | 124 | 140 | 31.1 | 0 | 0 | 0 | 0 | 109.7 | V244 | V244-T580 VanDerWaalsContact CG1-O 3.24Å; V244-T580 WeakPolarHBondContact CG1-O 3.45Å | ||
| 581 | A | 24.6 | Very low | 25.9 | Very low | 50 Ų | 50 | 129.7 Ų | 129.7 | 41% | 0.413 | 77% | 0.773 | S | S | . | * | trans | -89.3 | 150 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V244 | V244-A581 HydrophobicContact CB-CB 3.99Å; V244-A581 HydrophobicContact CG2-CB 4.05Å | ||
| 582 | I | 26.4 | Very low | 25.9 | Very low | 155 Ų | 155 | 128.5 Ų | 128.5 | 80% | 0.795 | 77% | 0.771 | S | S | * | * | trans | -152 | 142 | 152.3 | -100.4 | 146 | 0 | 0 | 0 | 108.2 | V244 | V244-I582 WeakPolarHBondContact CG2-O 3.38Š| ||
| 583 | Q | 26.3 | Very low | 25.9 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 59% | 0.589 | 77% | 0.768 | S | S | * | * | trans | -90.3 | 167.8 | -162.3 | -96 | -167.8 | -20.6 | 0 | 0 | 115.4 | E242 | E242-Q583 PolarHBondContact OE1-NE2 3.21Å; E242-Q583 PolarHBondContact OE2-NE2 2.94Å | ||
| 584 | P | 31.2 | Very low | 25.9 | Very low | 106 Ų | 106 | 125 Ų | 125 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | trans | -88.3 | 169.3 | -177.3 | 37 | -37.6 | 0 | 0 | 0 | 114.7 | ||||
| 585 | V | 26.2 | Very low | 25.8 | Very low | 134 Ų | 134 | 124.4 Ų | 124.4 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | trans | -131.9 | 112.1 | 168.4 | 178.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 586 | L | 25.2 | Very low | 26 | Very low | 172 Ų | 172 | 127.9 Ų | 127.9 | 90% | 0.901 | 77% | 0.766 | S | S | * | * | 68.5 | 129 | 79.9 | -96.5 | 164.7 | 0 | 0 | 0 | 114.7 | |||||
| 587 | G | 25.9 | Very low | 25.8 | Very low | 64 Ų | 64 | 127.5 Ų | 127.5 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | trans | 107.4 | 91.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 588 | S | 25.5 | Very low | 25.9 | Very low | 128 Ų | 128 | 128.9 Ų | 128.9 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | 79.9 | 114.3 | 60.6 | 78.7 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 589 | G | 25.2 | Very low | 26.1 | Very low | 70 Ų | 70 | 126.8 Ų | 126.8 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | 138.6 | 129.2 | 154.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 590 | L | 25.5 | Very low | 26.3 | Very low | 165 Ų | 165 | 126.6 Ų | 126.6 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | trans | 71.1 | 113.8 | 145.9 | -56.6 | 173 | 0 | 0 | 0 | 121.1 | ||||
| 591 | V | 24.7 | Very low | 26.4 | Very low | 143 Ų | 143 | 127.1 Ų | 127.1 | 87% | 0.867 | 75% | 0.753 | S | S | * | * | 43.9 | 107.7 | 125.9 | -171.5 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 592 | G | 25.8 | Very low | 26.5 | Very low | 78 Ų | 78 | 130.8 Ų | 130.8 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -174.3 | 115.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 593 | S | 24.1 | Very low | 26.5 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -66.6 | 148.3 | 174.5 | -43.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 594 | F | 24.7 | Very low | 26.7 | Very low | 199 Ų | 199 | 130.2 Ų | 130.2 | 87% | 0.873 | 78% | 0.78 | S | S | * | * | -174.4 | 167.1 | 111.7 | -108.9 | -75.4 | 0 | 0 | 0 | 112.6 | |||||
| 595 | Q | 24.4 | Very low | 26.8 | Very low | 133 Ų | 133 | 133.2 Ų | 133.2 | 62% | 0.621 | 78% | 0.782 | S | S | * | * | trans | -122.2 | 150 | -173.9 | -56.1 | 154.5 | -79.1 | 0 | 0 | 111.1 | L597 | Q595-L597 HydrophobicContact CB-CD1 4.08Å; Q595-L597 HydrophobicContact CB-CG 4.33Å | ||
| 596 | Y | 27.4 | Very low | 27.1 | Very low | 236 Ų | 236 | 132.8 Ų | 132.8 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | trans | -153.4 | 101.3 | 143.5 | -90.1 | -73.2 | 0 | 0 | 0 | 105.8 | ||||
| 597 | L | 24.9 | Very low | 27.2 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 68% | 0.681 | 77% | 0.767 | S | S | * | * | cis | 75.4 | 134.7 | 47.9 | -82.3 | 169.1 | 0 | 0 | 0 | 116.1 | Q595 | Q595-L597 HydrophobicContact CB-CD1 4.08Å; Q595-L597 HydrophobicContact CB-CG 4.33Å | ||
| 598 | T | 26.6 | Very low | 27.4 | Very low | 93 Ų | 93 | 137.3 Ų | 137.3 | 57% | 0.571 | 78% | 0.777 | S | S | * | * | trans | -94.6 | 163.2 | -170.9 | 45.4 | 0 | 0 | 0 | 0 | 113.2 | T600 | T598-T600 PolarHBondContact OG1-OG1 3.38Š| ||
| 599 | P | 30.9 | Very low | 27.5 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | -78.7 | 111 | 154.6 | 31.8 | -29.3 | 0 | 0 | 0 | 110.2 | ||||
| 600 | T | 29.3 | Very low | 27.5 | Very low | 105 Ų | 105 | 139.9 Ų | 139.9 | 64% | 0.644 | 77% | 0.766 | S | S | * | * | trans | -148.3 | 108.1 | 175.9 | 41 | 0 | 0 | 0 | 0 | 112.3 | T598 | T598-T600 PolarHBondContact OG1-OG1 3.38Š| ||
| 601 | T | 29.8 | Very low | 27.6 | Very low | 140 Ų | 140 | 140 Ų | 140 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | trans | -154.4 | 131.2 | 159.1 | 29.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 602 | V | 27.1 | Very low | 27.6 | Very low | 126 Ų | 126 | 139.6 Ų | 139.6 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | cis | 98.8 | 114.1 | 25.3 | 174 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 603 | L | 26.1 | Very low | 27.7 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | trans | 168.2 | 142.7 | 147.1 | -89.6 | 157.4 | 0 | 0 | 0 | 107.2 | ||||
| 604 | S | 29.6 | Very low | 27.8 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | cis | -153.5 | 154 | -3.1 | 51.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 605 | K | 33.8 | Very low | 27.8 | Very low | 168 Ų | 168 | 141 Ų | 141 | 73% | 0.73 | 74% | 0.744 | S | S | * | * | trans | -80.6 | 178 | 169.2 | -68.4 | -172.2 | 177.6 | -176.3 | 0 | 112.2 | N607 | K605-N607 VanDerWaalsContact CD-OD1 3.23Å; K605-N607 WeakPolarHBondContact CD-OD1 3.19Å | ||
| 606 | P | 33.2 | Very low | 27.8 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | -117.2 | 160.5 | 109.9 | 34.3 | -34.9 | 0 | 0 | 0 | 114.3 | |||||
| 607 | N | 26.9 | Very low | 27.6 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 59% | 0.588 | 74% | 0.736 | S | S | * | * | trans | -102.3 | 178.1 | 175.5 | -52.2 | -66.5 | 0 | 0 | 0 | 110.1 | K605 | K605-N607 VanDerWaalsContact CD-OD1 3.23Å; K605-N607 WeakPolarHBondContact CD-OD1 3.19Å | ||
| 608 | Y | 30.9 | Very low | 27.6 | Very low | 221 Ų | 221 | 136.2 Ų | 136.2 | 87% | 0.867 | 74% | 0.736 | S | S | * | * | -162 | 127.3 | 116.2 | -99.6 | -67.5 | 0 | 0 | 0 | 112.7 | |||||
| 609 | T | 26.7 | Very low | 27.6 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 64% | 0.638 | 75% | 0.749 | S | S | * | * | trans | 7.1 | 132.1 | 151.4 | 52.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 610 | I | 25.1 | Very low | 27.7 | Very low | 147 Ų | 147 | 138.5 Ų | 138.5 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | 66.4 | 113.6 | 53.8 | -57.1 | 170 | 0 | 0 | 0 | 114.2 | |||||
| 611 | L | 27.4 | Very low | 27.5 | Very low | 167 Ų | 167 | 141 Ų | 141 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | trans | -151.8 | 151.2 | 131.1 | -141.8 | 80.9 | 0 | 0 | 0 | 109.9 | ||||
| 612 | N | 24.6 | Very low | 27.2 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | trans | -92.3 | 163.1 | 174.6 | -55 | -37.5 | 0 | 0 | 0 | 110.2 | ||||
| 613 | D | 28.5 | Very low | 27 | Very low | 137 Ų | 137 | 141.3 Ų | 141.3 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | -170 | 144.7 | 115 | -114 | -25.9 | 0 | 0 | 0 | 117.5 | |||||
| 614 | Q | 26.5 | Very low | 26.8 | Very low | 135 Ų | 135 | 141 Ų | 141 | 63% | 0.631 | 73% | 0.73 | S | S | * | * | trans | 57.2 | 112.2 | 151.7 | -54.2 | -52.3 | -54.7 | 0 | 0 | 124.3 | ||||
| 615 | L | 24.4 | Very low | 26.6 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | trans | 68.5 | 167.8 | 135.8 | -53.9 | 174.7 | 0 | 0 | 0 | 118.6 | ||||
| 616 | T | 23.5 | Very low | 26.3 | Very low | 101 Ų | 101 | 144 Ų | 144 | 62% | 0.62 | 74% | 0.739 | S | S | * | * | cis | -170.9 | 166.6 | -25.9 | 34 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 617 | F | 23 | Very low | 26.3 | Very low | 169 Ų | 169 | 142.7 Ų | 142.7 | 74% | 0.741 | 73% | 0.731 | S | S | * | * | cis | -163.5 | 162.7 | -2.3 | -115.8 | -39.1 | 0 | 0 | 0 | 111.2 | ||||
| 618 | N | 25.4 | Very low | 26.3 | Very low | 129 Ų | 129 | 146.9 Ų | 146.9 | 69% | 0.69 | 74% | 0.744 | S | S | * | * | trans | 52.6 | 112.7 | 146.3 | -58.1 | -17 | 0 | 0 | 0 | 124.6 | ||||
| 619 | H | 27.2 | Very low | 26.1 | Very low | 184 Ų | 184 | 143.4 Ų | 143.4 | 85% | 0.852 | 74% | 0.74 | S | S | * | * | -0.4 | 171.8 | 116.4 | -95.5 | -29 | 0 | 0 | 0 | 121.5 | |||||
| 620 | P | 33.2 | Very low | 26.4 | Very low | 90 Ų | 90 | 143.3 Ų | 143.3 | 58% | 0.584 | 74% | 0.741 | S | S | * | * | cis | -143.5 | -176.8 | -17.4 | 39.1 | -19 | 0 | 0 | 0 | 116.6 | ||||
| 621 | Q | 24.3 | Very low | 26.4 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | trans | 57.6 | 138.8 | 141.4 | -82.2 | 172.6 | -63.2 | 0 | 0 | 126.1 | ||||
| 622 | E | 23.3 | Very low | 26.1 | Very low | 156 Ų | 156 | 144.6 Ų | 144.6 | 73% | 0.729 | 74% | 0.741 | S | S | * | * | trans | 85 | 152.6 | 137.4 | -82.8 | -175.8 | -154.2 | 0 | 0 | 125.9 | ||||
| 623 | T | 24 | Very low | 26.1 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 71% | 0.712 | 74% | 0.737 | S | S | * | * | trans | 72.3 | 109.5 | 161.7 | 45.3 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 624 | L | 21.5 | Very low | 26 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | 46.4 | 143.5 | 114.8 | -89.7 | 161.5 | 0 | 0 | 0 | 122.4 | |||||
| 625 | I | 25.3 | Very low | 26.4 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 82% | 0.821 | 75% | 0.746 | S | S | * | * | trans | 128.3 | 110.9 | 151.3 | -68.3 | 163.9 | 0 | 0 | 0 | 115.4 | ||||
| 626 | Q | 28.5 | Very low | 26.4 | Very low | 175 Ų | 175 | 143.5 Ų | 143.5 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -74.9 | 166.3 | 152.2 | -71.7 | -173.7 | -13 | 0 | 0 | 109.3 | ||||
| 627 | P | 32.9 | Very low | 26.4 | Very low | 98 Ų | 98 | 147.7 Ų | 147.7 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | cis | -156.1 | -162.9 | 37.9 | 26 | 5.1 | 0 | 0 | 0 | 117.4 | ||||
| 628 | F | 25.5 | Very low | 26.6 | Very low | 197 Ų | 197 | 146.5 Ų | 146.5 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | 99.4 | 126.6 | 149 | -78.1 | -63.2 | 0 | 0 | 0 | 123.8 | ||||
| 629 | L | 28.6 | Very low | 26.6 | Very low | 149 Ų | 149 | 146 Ų | 146 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | -68.9 | 177.6 | 153.7 | -79.2 | 105.7 | 0 | 0 | 0 | 111.2 | ||||
| 630 | P | 31.8 | Very low | 26.7 | Very low | 102 Ų | 102 | 145 Ų | 145 | 66% | 0.662 | 77% | 0.766 | S | S | * | * | cis | -148.6 | 174.4 | 24.5 | 44.3 | -23.5 | 0 | 0 | 0 | 120 | ||||
| 631 | Q | 24.3 | Very low | 26.3 | Very low | 167 Ų | 167 | 146.7 Ų | 146.7 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | 25.6 | 133.1 | 138 | -58.4 | 166.6 | -3.4 | 0 | 0 | 122.1 | ||||
| 632 | M | 22.9 | Very low | 26.3 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 85% | 0.852 | 77% | 0.771 | S | S | * | * | 176.2 | 117.7 | 120.5 | -95.5 | -177.5 | 177.5 | 0 | 0 | 109.3 | |||||
| 633 | S | 24.5 | Very low | 26.4 | Very low | 91 Ų | 91 | 149.4 Ų | 149.4 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | 56.5 | 132.9 | 89.8 | 71.5 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 634 | D | 25.7 | Very low | 26.6 | Very low | 157 Ų | 157 | 149.8 Ų | 149.8 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | cis | -161 | 170.2 | 2.4 | -115.4 | -23.9 | 0 | 0 | 0 | 110.5 | ||||
| 635 | P | 34.8 | Very low | 27 | Very low | 109 Ų | 109 | 147.9 Ų | 147.9 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | trans | -89.7 | 159.1 | -171.1 | 36.1 | -36.7 | 0 | 0 | 0 | 114.4 | ||||
| 636 | I | 24.4 | Very low | 27.1 | Very low | 171 Ų | 171 | 147.1 Ų | 147.1 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | trans | -144 | 144.6 | 160 | -104.1 | 146.6 | 0 | 0 | 0 | 112.6 | ||||
| 637 | K | 23.7 | Very low | 27.1 | Very low | 189 Ų | 189 | 144.7 Ų | 144.7 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | -78.7 | 149.6 | -177.5 | -40.9 | 119.2 | 177.7 | 178.2 | 0 | 111.4 | ||||
| 638 | T | 27.3 | Very low | 26.8 | Very low | 145 Ų | 145 | 147.8 Ų | 147.8 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | -148.3 | 145.4 | 128.4 | -1.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 639 | T | 25.6 | Very low | 27 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | trans | -98.6 | -172.7 | 178.5 | 50.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 640 | Q | 28.5 | Very low | 27.1 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 77% | 0.771 | 75% | 0.75 | S | S | * | * | trans | 93.4 | 142.8 | 165.3 | -50.3 | -161.6 | 29.4 | 0 | 0 | 115.9 | ||||
| 641 | N | 25.7 | Very low | 26.9 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | cis | -173.2 | -178.8 | -20.3 | -103.1 | -32.6 | 0 | 0 | 0 | 107 | ||||
| 642 | L | 24.7 | Very low | 27 | Very low | 146 Ų | 146 | 141.9 Ų | 141.9 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | trans | 77.8 | 140.6 | 163.4 | -52.6 | 167.8 | 0 | 0 | 0 | 116.7 | ||||
| 643 | R | 24.7 | Very low | 27.3 | Very low | 226 Ų | 226 | 140 Ų | 140 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | cis | -159.9 | 149 | -30.5 | -136 | 179.7 | -162.7 | 165 | 3.4 | 109.8 | ||||
| 644 | I | 28.9 | Very low | 27.3 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | trans | -79.6 | 157.7 | 171.8 | -20.1 | 179.6 | 0 | 0 | 0 | 110.1 | F646 | I644-F646 HydrophobicContact CB-CD2 4.17Å; I644-F646 HydrophobicContact CD1-CD2 4.11Å; I644-F646 HydrophobicContact CD1-CE2 3.91Å; I644-F646 HydrophobicContact CG2-CD2 4.37Å | ||
| 645 | P | 29.3 | Very low | 27.5 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | -133.8 | 139.3 | 97.4 | 37.5 | -28.3 | 0 | 0 | 0 | 113.1 | |||||
| 646 | F | 26.5 | Very low | 27.2 | Very low | 143 Ų | 143 | 142 Ų | 142 | 63% | 0.627 | 76% | 0.755 | S | S | * | * | cis | 84.8 | 105.4 | 48.1 | -101 | -59.8 | 0 | 0 | 0 | 116.2 | I644 Q648 | I644-F646 HydrophobicContact CB-CD2 4.17Å; I644-F646 HydrophobicContact CD1-CD2 4.11Å; I644-F646 HydrophobicContact CD1-CE2 3.91Å; I644-F646 HydrophobicContact CG2-CD2 4.37Å; F646-Q648 HydrophobicContact CD1-CG 3.89Å; F646-Q648 HydrophobicContact CE1-CG 4.23Å | ||
| 647 | C | 29.1 | Very low | 27.4 | Very low | 124 Ų | 124 | 137 Ų | 137 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | trans | -151.2 | 113.4 | 131.4 | -82.6 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 648 | Q | 27.4 | Very low | 27.4 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | 57.6 | 125.8 | 68.2 | -59.7 | -168.3 | -0.6 | 0 | 0 | 112.8 | F646 | F646-Q648 HydrophobicContact CD1-CG 3.89Å; F646-Q648 HydrophobicContact CE1-CG 4.23Å | |||
| 649 | G | 27.9 | Very low | 27.4 | Very low | 59 Ų | 59 | 134.1 Ų | 134.1 | 61% | 0.608 | 74% | 0.74 | S | S | * | * | cis | -161.6 | 152 | -6.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 650 | T | 30.7 | Very low | 27.3 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 64% | 0.644 | 74% | 0.744 | S | S | * | * | 58.7 | 139.1 | 61.4 | 71.5 | 0 | 0 | 0 | 0 | 112.5 | Y652 | T650-Y652 HydrophobicContact CG2-CE2 3.87Š| |||
| 651 | Q | 27.9 | Very low | 27.3 | Very low | 160 Ų | 160 | 133.1 Ų | 133.1 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | -152.7 | 138.9 | 54.4 | -67.9 | -145.2 | -8.7 | 0 | 0 | 111.4 | |||||
| 652 | Y | 27.9 | Very low | 27.2 | Very low | 166 Ų | 166 | 134.4 Ų | 134.4 | 65% | 0.651 | 75% | 0.745 | S | S | * | * | 69.9 | 146.9 | 82.7 | -58.4 | -55.5 | 0 | 0 | 0 | 114.2 | T650 L654 | T650-Y652 HydrophobicContact CG2-CE2 3.87Å; Y652-L654 HydrophobicContact CD1-CD1 4.24Å | |||
| 653 | T | 28.5 | Very low | 27.6 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | -147.3 | 149.8 | 50.6 | 36.3 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 654 | L | 24.7 | Very low | 28 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 71% | 0.707 | 74% | 0.736 | S | S | * | * | trans | -97.3 | 160.9 | 163.3 | -55.9 | 88.2 | 0 | 0 | 0 | 109.6 | Y652 | Y652-L654 HydrophobicContact CD1-CD1 4.24Š| ||
| 655 | T | 29.2 | Very low | 28 | Very low | 146 Ų | 146 | 129.7 Ų | 129.7 | 90% | 0.896 | 74% | 0.74 | S | S | * | * | trans | -141.7 | 96.6 | 157.1 | 31.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 656 | P | 29.6 | Very low | 28.1 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | trans | -87 | 142.3 | 159.2 | 33.9 | -29.9 | 0 | 0 | 0 | 110.4 | ||||
| 657 | G | 27.4 | Very low | 28.1 | Very low | 65 Ų | 65 | 129.9 Ų | 129.9 | 67% | 0.67 | 74% | 0.743 | S | S | * | * | trans | -176.1 | 91.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 658 | I | 25 | Very low | 27.9 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 85% | 0.851 | 75% | 0.749 | S | S | * | * | trans | 68.1 | 149.5 | 131.3 | -57.6 | 157.2 | 0 | 0 | 0 | 119.6 | ||||
| 659 | S | 26 | Very low | 28 | Very low | 107 Ų | 107 | 130.3 Ų | 130.3 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | 71.3 | 98.5 | 163 | 42.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 660 | I | 24.7 | Very low | 27.8 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 80% | 0.795 | 76% | 0.763 | S | S | * | * | 2 | 138.1 | 120.3 | -68.6 | 165.4 | 0 | 0 | 0 | 115.6 | |||||
| 661 | P | 27.2 | Very low | 27.6 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | cis | -143.6 | 153.3 | 41.6 | 25 | 0.5 | 0 | 0 | 0 | 121.2 | ||||
| 662 | I | 25.1 | Very low | 27.5 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | 50.2 | 110 | 128.4 | -51.2 | 171.6 | 0 | 0 | 0 | 121.2 | |||||
| 663 | N | 31.5 | Very low | 27.6 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | 45.2 | 151.6 | 121.7 | -118.7 | 23 | 0 | 0 | 0 | 122.2 | |||||
| 664 | P | 33.2 | Very low | 27.6 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | -123.7 | -172 | 64.9 | 29.2 | -10.1 | 0 | 0 | 0 | 112.4 | |||||
| 665 | E | 30.2 | Very low | 27.9 | Very low | 154 Ų | 154 | 136.3 Ų | 136.3 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | cis | -149.5 | -167.3 | 26.1 | -43.6 | 171.7 | 137.4 | 0 | 0 | 110.1 | ||||
| 666 | H | 30.2 | Very low | 28.1 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 75% | 0.75 | 74% | 0.743 | S | S | * | * | cis | -158.6 | 102.8 | -6.8 | -146.7 | -48.5 | 0 | 0 | 0 | 110.1 | ||||
| 667 | S | 26.2 | Very low | 28 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | trans | -171 | 114.1 | 164.3 | 53.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 668 | F | 25.7 | Very low | 28.3 | Very low | 216 Ų | 216 | 143.2 Ų | 143.2 | 95% | 0.947 | 74% | 0.738 | S | S | * | * | trans | 53.9 | 108.9 | 151.5 | -73.2 | -83.9 | 0 | 0 | 0 | 123.6 | ||||
| 669 | G | 28.8 | Very low | 28.4 | Very low | 81 Ų | 81 | 140 Ų | 140 | 84% | 0.835 | 73% | 0.73 | S | S | * | * | trans | 89.7 | 155.7 | 146.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 670 | R | 24.2 | Very low | 28.5 | Very low | 224 Ų | 224 | 138.9 Ų | 138.9 | 85% | 0.845 | 72% | 0.722 | S | S | * | * | cis | -167.4 | 145.1 | -19.6 | -165.7 | -163.2 | 172.9 | -178.4 | -1.8 | 107.7 | ||||
| 671 | L | 25.9 | Very low | 28.6 | Very low | 129 Ų | 129 | 140 Ų | 140 | 68% | 0.675 | 72% | 0.724 | S | S | * | * | trans | 68.3 | 150.3 | 173.5 | -62.6 | 143.4 | 0 | 0 | 0 | 115.5 | ||||
| 672 | E | 26.4 | Very low | 28.8 | Very low | 152 Ų | 152 | 140 Ų | 140 | 71% | 0.71 | 73% | 0.727 | S | S | * | * | cis | -162.5 | 172.8 | -28.5 | -153.7 | 167.6 | -120 | 0 | 0 | 110.5 | ||||
| 673 | M | 30.5 | Very low | 28.8 | Very low | 142 Ų | 142 | 137.4 Ų | 137.4 | 70% | 0.7 | 72% | 0.722 | S | S | * | * | trans | 74.6 | 108.4 | 161.6 | -64.2 | -124.9 | 177.9 | 0 | 0 | 121.7 | ||||
| 674 | N | 28.8 | Very low | 28.8 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 68% | 0.679 | 73% | 0.726 | S | S | * | * | 52.4 | 139.2 | 110.7 | -56.8 | -25.5 | 0 | 0 | 0 | 120.6 | |||||
| 675 | T | 31.1 | Very low | 28.7 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 68% | 0.681 | 73% | 0.728 | S | S | * | * | cis | -175.1 | -178.8 | 1.6 | 23.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 676 | H | 33.3 | Very low | 28.6 | Very low | 129 Ų | 129 | 140.2 Ų | 140.2 | 60% | 0.597 | 73% | 0.732 | S | S | * | * | cis | -164.9 | 142.3 | 3.8 | -128.5 | -5.8 | 0 | 0 | 0 | 112 | ||||
| 677 | R | 27.5 | Very low | 28.9 | Very low | 166 Ų | 166 | 137.7 Ų | 137.7 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | trans | 63 | 170.2 | 151.8 | -49.6 | 172.2 | -166.5 | 174.8 | 4.9 | 117.4 | ||||
| 678 | Y | 32.3 | Very low | 28.8 | Very low | 181 Ų | 181 | 136.1 Ų | 136.1 | 71% | 0.71 | 72% | 0.723 | S | S | * | * | cis | -123.7 | 141.3 | -0.6 | -92.3 | -95.1 | 0 | 0 | 0 | 107.9 | ||||
| 679 | S | 27.8 | Very low | 28.8 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 69% | 0.685 | 72% | 0.715 | S | S | * | * | 65.5 | 144.7 | 78.2 | -48.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 680 | S | 27 | Very low | 28.7 | Very low | 84 Ų | 84 | 134.8 Ų | 134.8 | 59% | 0.587 | 71% | 0.711 | S | S | * | * | cis | -169.3 | 174.3 | -6 | 39.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 681 | E | 27.8 | Very low | 28.8 | Very low | 177 Ų | 177 | 128.5 Ų | 128.5 | 83% | 0.827 | 70% | 0.701 | S | S | * | * | trans | 69.3 | 155.3 | 148.9 | -78.5 | 146.1 | 157.2 | 0 | 0 | 119.1 | ||||
| 682 | S | 30.6 | Very low | 28.9 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 76% | 0.762 | 71% | 0.71 | S | S | * | * | cis | -144.5 | 163.8 | -3 | 42.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 683 | S | 26.9 | Very low | 28.9 | Very low | 97 Ų | 97 | 130.4 Ų | 130.4 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | trans | -58.9 | 160 | 171.8 | 61 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 684 | K | 31.4 | Very low | 28.7 | Very low | 184 Ų | 184 | 128.2 Ų | 128.2 | 80% | 0.8 | 71% | 0.706 | S | S | * | * | -167.1 | 126.8 | 117 | -107.5 | 154.4 | -170.6 | 169.7 | 0 | 115.8 | |||||
| 685 | T | 31.3 | Very low | 28.8 | Very low | 119 Ų | 119 | 127 Ų | 127 | 73% | 0.73 | 71% | 0.708 | S | S | * | * | 37.8 | 144.6 | 129.7 | 57.3 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 686 | N | 26.8 | Very low | 28.8 | Very low | 151 Ų | 151 | 126.4 Ų | 126.4 | 81% | 0.807 | 71% | 0.708 | S | S | * | * | cis | -171.7 | -163.5 | -14.1 | -138.5 | -9 | 0 | 0 | 0 | 103.3 | ||||
| 687 | P | 35.7 | Very low | 28.7 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 71% | 0.708 | 71% | 0.714 | S | S | * | * | trans | -114.7 | -162.2 | -150 | 35.5 | -14.1 | 0 | 0 | 0 | 112.2 | ||||
| 688 | A | 26 | Very low | 29 | Very low | 72 Ų | 72 | 127.2 Ų | 127.2 | 60% | 0.595 | 72% | 0.722 | S | S | * | * | 140.6 | 155.1 | 111.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 689 | L | 25.8 | Very low | 28.8 | Very low | 148 Ų | 148 | 125 Ų | 125 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | trans | 65.4 | 121 | 148.4 | -70.1 | 160 | 0 | 0 | 0 | 119.3 | ||||
| 690 | T | 26.1 | Very low | 29 | Very low | 121 Ų | 121 | 126.8 Ų | 126.8 | 74% | 0.742 | 72% | 0.717 | S | S | * | * | trans | 64.4 | 133.3 | 133.2 | 58.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 691 | S | 27.1 | Very low | 29.2 | Very low | 93 Ų | 93 | 126 Ų | 126 | 65% | 0.65 | 71% | 0.712 | S | S | * | * | cis | -170 | -154.8 | 5.6 | 48.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 692 | R | 26 | Very low | 29.4 | Very low | 225 Ų | 225 | 123.4 Ų | 123.4 | 85% | 0.849 | 71% | 0.71 | S | S | * | * | trans | 13.1 | 133.7 | 136.6 | -66.2 | 170.5 | 175.4 | -177.6 | -2.3 | 116.3 | ||||
| 693 | S | 26.4 | Very low | 29.3 | Very low | 95 Ų | 95 | 123.5 Ų | 123.5 | 66% | 0.664 | 71% | 0.706 | S | S | * | * | cis | -174.7 | -156.8 | 5.1 | 43 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 694 | S | 28.3 | Very low | 29.3 | Very low | 97 Ų | 97 | 128.1 Ų | 128.1 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | trans | 47.3 | 123.3 | 139.6 | 53.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 695 | S | 29.2 | Very low | 29.1 | Very low | 101 Ų | 101 | 128 Ų | 128 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | cis | -174.5 | -178 | 13.5 | 46.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 696 | S | 32.1 | Very low | 29 | Very low | 98 Ų | 98 | 128.7 Ų | 128.7 | 69% | 0.685 | 70% | 0.702 | S | S | * | * | trans | 60.4 | 109.4 | 152.6 | 36.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 697 | R | 29.9 | Very low | 29.2 | Very low | 192 Ų | 192 | 126.7 Ų | 126.7 | 73% | 0.725 | 70% | 0.7 | S | S | * | * | cis | 48.6 | 128.9 | 48.7 | -56.3 | -178.8 | 164.9 | -170.8 | -3.9 | 112 | F699 | R697-F699 HydrophobicContact CB-CD2 4.12Å; R697-F699 HydrophobicContact CB-CE2 4.42Å | ||
| 698 | P | 34.4 | Very low | 28.9 | Very low | 121 Ų | 121 | 124.9 Ų | 124.9 | 79% | 0.786 | 70% | 0.695 | S | S | * | * | -89.1 | 159.4 | 52.2 | -20.7 | 38.3 | 0 | 0 | 0 | 114.8 | |||||
| 699 | F | 28.2 | Very low | 29.2 | Very low | 134 Ų | 134 | 126.5 Ų | 126.5 | 59% | 0.588 | 70% | 0.699 | S | S | * | * | cis | 65.3 | 143 | 41.2 | -68.1 | -63.9 | 0 | 0 | 0 | 112.6 | R697 | R697-F699 HydrophobicContact CB-CD2 4.12Å; R697-F699 HydrophobicContact CB-CE2 4.42Å | ||
| 700 | N | 31.7 | Very low | 29.2 | Very low | 135 Ų | 135 | 128 Ų | 128 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | cis | -148 | 153.3 | 15.6 | -106.7 | -28.9 | 0 | 0 | 0 | 108.3 | ||||
| 701 | S | 32.1 | Very low | 29.3 | Very low | 69 Ų | 69 | 130.6 Ų | 130.6 | 48% | 0.483 | 70% | 0.703 | S | S | . | * | cis | 58.2 | 112.5 | 22.3 | 73.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 702 | P | 30.8 | Very low | 29.3 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 79% | 0.786 | 70% | 0.703 | S | S | * | * | -140.1 | 151.9 | 87 | 24.2 | -3.1 | 0 | 0 | 0 | 114.1 | |||||
| 703 | V | 28.4 | Very low | 29.3 | Very low | 111 Ų | 111 | 125.3 Ų | 125.3 | 67% | 0.673 | 70% | 0.697 | S | S | * | * | cis | 91.1 | 140.8 | 36.7 | 166.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 704 | R | 28.5 | Very low | 29.3 | Very low | 194 Ų | 194 | 130.3 Ų | 130.3 | 73% | 0.732 | 70% | 0.702 | S | S | * | * | trans | 87.2 | 146.4 | 170.5 | -73.9 | 147.2 | -161.6 | -134.7 | 8.2 | 118.1 | ||||
| 705 | R | 27.4 | Very low | 29.3 | Very low | 183 Ų | 183 | 131.7 Ų | 131.7 | 69% | 0.691 | 70% | 0.698 | S | S | * | * | cis | -171.5 | 156.8 | -24.4 | -119.4 | -173.8 | -157 | 159.4 | 0 | 111.2 | ||||
| 706 | N | 28 | Very low | 29.2 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | trans | 67.8 | 152.1 | 148.9 | -62.4 | 3.4 | 0 | 0 | 0 | 121.4 | ||||
| 707 | S | 31.5 | Very low | 28.8 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 76% | 0.762 | 70% | 0.695 | S | S | * | * | trans | 57.7 | 125.3 | 157.1 | 32.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 708 | A | 28.8 | Very low | 28.7 | Very low | 72 Ų | 72 | 129.8 Ų | 129.8 | 60% | 0.595 | 69% | 0.69 | S | S | * | * | cis | 71.5 | 145.8 | 29.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 709 | P | 33.6 | Very low | 28.2 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 69% | 0.688 | 68% | 0.682 | S | S | * | * | cis | -142.4 | -171 | -27.8 | 40.2 | -22.1 | 0 | 0 | 0 | 114.6 | ||||
| 710 | F | 25.5 | Very low | 28.1 | Very low | 180 Ų | 180 | 131.4 Ų | 131.4 | 79% | 0.789 | 69% | 0.691 | S | S | * | * | trans | 69.6 | 140.9 | 153.8 | -95.4 | -84.5 | 0 | 0 | 0 | 121 | ||||
| 711 | Q | 27.6 | Very low | 27.8 | Very low | 174 Ų | 174 | 128.7 Ų | 128.7 | 81% | 0.813 | 68% | 0.682 | S | S | * | * | trans | 65.1 | 149.9 | 158.3 | -82.5 | 156.3 | 3 | 0 | 0 | 117 | ||||
| 712 | S | 28.1 | Very low | 27.4 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 65% | 0.65 | 69% | 0.692 | S | S | * | * | cis | -158.9 | 137.2 | -3.5 | 47.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 713 | T | 26 | Very low | 27.1 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | 59.3 | 122 | 125.9 | -48.4 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 714 | Y | 26.4 | Very low | 27.1 | Very low | 199 Ų | 199 | 132.8 Ų | 132.8 | 78% | 0.78 | 70% | 0.702 | S | S | * | * | trans | 71.7 | 155.5 | 151.4 | -84.2 | -143.1 | 0 | 0 | 0 | 117.3 | ||||
| 715 | Q | 27.1 | Very low | 27 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 59% | 0.589 | 70% | 0.701 | S | S | * | * | cis | -164.2 | 160.7 | -25 | -141.9 | -175.7 | -1.3 | 0 | 0 | 107.1 | ||||
| 716 | N | 26.3 | Very low | 27.1 | Very low | 132 Ų | 132 | 126.4 Ų | 126.4 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | trans | 63.4 | 167.1 | 153.2 | -65.8 | -19.9 | 0 | 0 | 0 | 118 | ||||
| 717 | C | 25.2 | Very low | 27 | Very low | 92 Ų | 92 | 127.8 Ų | 127.8 | 62% | 0.622 | 71% | 0.705 | S | S | * | * | cis | -170.4 | 174 | -41.5 | -164.7 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 718 | M | 26.3 | Very low | 26.9 | Very low | 127 Ų | 127 | 126.8 Ų | 126.8 | 63% | 0.626 | 70% | 0.698 | S | S | * | * | trans | 65.8 | 166.6 | 162.8 | -58.2 | -60.9 | 175.3 | 0 | 0 | 116.6 | ||||
| 719 | N | 24.6 | Very low | 26.8 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 62% | 0.62 | 71% | 0.71 | S | S | * | * | -170.2 | 164.7 | -55.9 | -127 | -20.2 | 0 | 0 | 0 | 107.3 | |||||
| 720 | F | 25.7 | Very low | 26.2 | Very low | 174 Ų | 174 | 132.9 Ų | 132.9 | 76% | 0.763 | 72% | 0.718 | S | S | * | * | trans | 63.9 | 166.4 | 154.8 | -79.2 | -139.9 | 0 | 0 | 0 | 116.9 | ||||
| 721 | S | 25.5 | Very low | 26.3 | Very low | 77 Ų | 77 | 129.1 Ų | 129.1 | 54% | 0.538 | 71% | 0.714 | S | S | . | * | cis | -157.8 | 160.6 | -39.1 | 61.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 722 | E | 24.5 | Very low | 26.2 | Very low | 150 Ų | 150 | 128.2 Ų | 128.2 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | trans | 61.1 | 138.7 | 133.9 | -79.1 | 168.6 | 134.8 | 0 | 0 | 124.7 | ||||
| 723 | T | 25.3 | Very low | 26.1 | Very low | 134 Ų | 134 | 130 Ų | 130 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | trans | 85.4 | 151.9 | 139.6 | 57.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 724 | A | 26.7 | Very low | 26 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 85% | 0.851 | 72% | 0.724 | S | S | * | * | trans | 63.1 | 122.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 725 | A | 27.9 | Very low | 26 | Very low | 84 Ų | 84 | 125.9 Ų | 125.9 | 69% | 0.694 | 72% | 0.719 | S | S | * | * | cis | -161.4 | 170.3 | -6.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 726 | H | 28.2 | Very low | 25.9 | Very low | 160 Ų | 160 | 127.7 Ų | 127.7 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | trans | 14.5 | 135.7 | 136.1 | -67.6 | -108.9 | 0 | 0 | 0 | 118.4 | ||||
| 727 | Q | 26.7 | Very low | 26 | Very low | 160 Ų | 160 | 128.6 Ų | 128.6 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | cis | -170.9 | -172.2 | -0.1 | -134 | 166.9 | -26.6 | 0 | 0 | 109.5 | ||||
| 728 | S | 28.2 | Very low | 25.9 | Very low | 89 Ų | 89 | 129 Ų | 129 | 62% | 0.622 | 74% | 0.735 | S | S | * | * | trans | 53.9 | 97.3 | 152.2 | 60.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 729 | E | 26.8 | Very low | 26 | Very low | 179 Ų | 179 | 129.2 Ų | 129.2 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | 77 | 130.8 | 117.4 | -72 | 160.1 | -151.4 | 0 | 0 | 123.1 | |||||
| 730 | C | 22.8 | Very low | 26.1 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 85% | 0.851 | 74% | 0.744 | S | S | * | * | trans | 58.1 | 97.7 | 140.6 | -64.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 731 | S | 27.1 | Very low | 26.3 | Very low | 102 Ų | 102 | 131.7 Ų | 131.7 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | trans | -154.6 | 115.5 | 132.4 | -167 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 732 | I | 24.8 | Very low | 26.3 | Very low | 155 Ų | 155 | 133.6 Ų | 133.6 | 80% | 0.795 | 75% | 0.752 | S | S | * | * | trans | 36.8 | 152.1 | 131.3 | -34.9 | 171.2 | 0 | 0 | 0 | 120.4 | ||||
| 733 | V | 27.1 | Very low | 26.6 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 78% | 0.782 | 75% | 0.752 | S | S | * | * | trans | 112.2 | 102.1 | 152 | -171.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 734 | V | 23 | Very low | 26.7 | Very low | 132 Ų | 132 | 130.8 Ų | 130.8 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | trans | -55.7 | 127.9 | 161.8 | 174.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 735 | S | 26.6 | Very low | 27 | Very low | 97 Ų | 97 | 131.2 Ų | 131.2 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | trans | -170.4 | 107.8 | 143.2 | -87.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 736 | Q | 24.7 | Very low | 27.1 | Very low | 163 Ų | 163 | 133.4 Ų | 133.4 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | 92.9 | 159 | 92.1 | -79.1 | -155.6 | 17.4 | 0 | 0 | 113.7 | |||||
| 737 | L | 27.7 | Very low | 27 | Very low | 151 Ų | 151 | 132.9 Ų | 132.9 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | trans | 62.2 | 114.4 | -176.8 | -74.1 | 67 | 0 | 0 | 0 | 114.3 | ||||
| 738 | S | 23.3 | Very low | 26.8 | Very low | 100 Ų | 100 | 129.6 Ų | 129.6 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | cis | 71.6 | 81.9 | 39.8 | -160.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 739 | T | 30.1 | Very low | 26.6 | Very low | 132 Ų | 132 | 130.3 Ų | 130.3 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | trans | -160.2 | 121.9 | 143.8 | 25.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 740 | K | 25.7 | Very low | 26.5 | Very low | 144 Ų | 144 | 129.5 Ų | 129.5 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | 60.7 | 89 | 61.1 | -68.5 | -177.5 | 177.8 | 168.2 | 0 | 114.8 | |||||
| 741 | K | 28.9 | Very low | 26.6 | Very low | 198 Ų | 198 | 128.3 Ų | 128.3 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | trans | -155.8 | 131.7 | 156.4 | -100.2 | 162 | -175.7 | -177.4 | 0 | 105.9 | ||||
| 742 | L | 26.3 | Very low | 26.7 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 62% | 0.618 | 74% | 0.743 | S | S | * | * | cis | 61.5 | 114.1 | 27.6 | -145.3 | 77.7 | 0 | 0 | 0 | 109.8 | ||||
| 743 | T | 30.8 | Very low | 26.9 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 68% | 0.681 | 74% | 0.742 | S | S | * | * | -154.2 | 153.2 | 59.5 | 40.3 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 744 | T | 27.2 | Very low | 27.1 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | 38.5 | 139.9 | 79.4 | 57.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 745 | P | 33.1 | Very low | 27.4 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | -156 | -172.4 | 52.2 | 42.2 | -19.6 | 0 | 0 | 0 | 118.2 | |||||
| 746 | V | 29.7 | Very low | 27.6 | Very low | 129 Ų | 129 | 128.8 Ų | 128.8 | 78% | 0.782 | 73% | 0.733 | S | S | * | * | trans | 66 | 150 | 140.4 | 154.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 747 | L | 25.9 | Very low | 27.7 | Very low | 149 Ų | 149 | 128.4 Ų | 128.4 | 78% | 0.78 | 74% | 0.735 | S | S | * | * | cis | -165.7 | 147.4 | -43.5 | -144.9 | 78.9 | 0 | 0 | 0 | 110.4 | ||||
| 748 | C | 23.3 | Very low | 27.9 | Very low | 92 Ų | 92 | 127 Ų | 127 | 62% | 0.622 | 74% | 0.735 | S | S | * | * | trans | 31.2 | 114.2 | 144.8 | -158.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 749 | C | 23.2 | Very low | 27.9 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 70% | 0.696 | 74% | 0.74 | S | S | * | * | 83.8 | 168.7 | 116.2 | -48.2 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 750 | I | 25.5 | Very low | 27.7 | Very low | 162 Ų | 162 | 131.4 Ų | 131.4 | 83% | 0.831 | 74% | 0.742 | S | S | * | * | trans | 74.7 | 90 | 174.8 | -46.5 | 176.4 | 0 | 0 | 0 | 112.5 | ||||
| 751 | S | 25.8 | Very low | 27.6 | Very low | 101 Ų | 101 | 129.1 Ų | 129.1 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | 81.9 | 110.3 | 54.3 | -168.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 752 | S | 28.7 | Very low | 27.4 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 87% | 0.867 | 74% | 0.741 | S | S | * | * | trans | -170.9 | 95.5 | 161.6 | -78.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 753 | N | 27.6 | Very low | 27.4 | Very low | 143 Ų | 143 | 130.3 Ų | 130.3 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | cis | 102.6 | 147.8 | 40.9 | -168 | 25 | 0 | 0 | 0 | 111.5 | ||||
| 754 | S | 32.7 | Very low | 27.3 | Very low | 96 Ų | 96 | 130.4 Ų | 130.4 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | trans | 77.8 | 145.9 | 179.8 | 81.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 755 | N | 29.4 | Very low | 27.5 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | cis | -167.5 | 147.9 | -26.4 | -102.8 | -19.9 | 0 | 0 | 0 | 111.7 | ||||
| 756 | N | 29.8 | Very low | 27.1 | Very low | 132 Ų | 132 | 131.1 Ų | 131.1 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | 59.3 | 126.2 | 156.3 | -51.1 | -23.5 | 0 | 0 | 0 | 119.3 | ||||
| 757 | I | 28.1 | Very low | 26.9 | Very low | 155 Ų | 155 | 131 Ų | 131 | 80% | 0.795 | 75% | 0.749 | S | S | * | * | cis | 68.6 | 130.9 | 44.2 | -57.2 | 175.6 | 0 | 0 | 0 | 111.5 | ||||
| 758 | P | 30.5 | Very low | 27 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | cis | -134.8 | 179.6 | 26.2 | 27.2 | -2.3 | 0 | 0 | 0 | 118.9 | ||||
| 759 | I | 23.3 | Very low | 27.2 | Very low | 158 Ų | 158 | 130.4 Ų | 130.4 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | trans | -78.6 | 151.2 | 168.2 | -57.9 | 150 | 0 | 0 | 0 | 111.2 | ||||
| 760 | I | 25.8 | Very low | 27.5 | Very low | 166 Ų | 166 | 131.4 Ų | 131.4 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | trans | -175 | 149.8 | 132.8 | -98 | 158.1 | 0 | 0 | 0 | 112.9 | ||||
| 761 | S | 23.7 | Very low | 27.8 | Very low | 97 Ų | 97 | 129.2 Ų | 129.2 | 68% | 0.678 | 73% | 0.729 | S | S | * | * | trans | -99.1 | 152.8 | -173.4 | 56.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 762 | Q | 26.1 | Very low | 28 | Very low | 167 Ų | 167 | 130.2 Ų | 130.2 | 78% | 0.78 | 73% | 0.727 | S | S | * | * | trans | -164.5 | 120.7 | 141.9 | -105.9 | 154.3 | 33.4 | 0 | 0 | 109.9 | ||||
| 763 | Q | 25.3 | Very low | 28.2 | Very low | 174 Ų | 174 | 129.6 Ų | 129.6 | 81% | 0.813 | 71% | 0.713 | S | S | * | * | 77.4 | 111.1 | 97.3 | -74.4 | -175.9 | -17.1 | 0 | 0 | 115.4 | |||||
| 764 | S | 29.4 | Very low | 28.3 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 79% | 0.79 | 70% | 0.703 | S | S | * | * | trans | -65.4 | 155.6 | 161.1 | -169.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 765 | P | 30.4 | Very low | 28.4 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | -151.3 | 159.2 | 98.4 | 41.4 | -25.6 | 0 | 0 | 0 | 117.2 | |||||
| 766 | N | 24.9 | Very low | 28.3 | Very low | 132 Ų | 132 | 130 Ų | 130 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | trans | 58.3 | 115.5 | 137.5 | -75.4 | 1.1 | 0 | 0 | 0 | 122.4 | ||||
| 767 | N | 26 | Very low | 28.2 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 67% | 0.674 | 72% | 0.715 | S | S | * | * | 95.9 | 140.7 | 112.5 | -83.6 | 2.6 | 0 | 0 | 0 | 122.3 | |||||
| 768 | N | 27.2 | Very low | 28.1 | Very low | 115 Ų | 115 | 128 Ų | 128 | 62% | 0.615 | 71% | 0.708 | S | S | * | * | trans | 80.8 | 96 | 137.6 | -70.8 | 3.5 | 0 | 0 | 0 | 119.4 | ||||
| 769 | N | 28.3 | Very low | 27.8 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 62% | 0.615 | 71% | 0.707 | S | S | * | * | 94.4 | 127.3 | 105 | -73.2 | -4.7 | 0 | 0 | 0 | 118.3 | |||||
| 770 | N | 29.5 | Very low | 28.1 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 66% | 0.663 | 71% | 0.705 | S | S | * | * | 69.3 | 134.7 | 128.7 | -60.5 | 5 | 0 | 0 | 0 | 116.7 | |||||
| 771 | N | 30.4 | Very low | 28.1 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 62% | 0.62 | 69% | 0.694 | S | S | * | * | cis | -176 | 174.1 | 11.3 | -122.4 | -0.3 | 0 | 0 | 0 | 109.9 | ||||
| 772 | N | 31.4 | Very low | 28.3 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 65% | 0.652 | 69% | 0.693 | S | S | * | * | trans | 70.4 | 150.3 | 146.6 | -68.4 | 4 | 0 | 0 | 0 | 117.7 | ||||
| 773 | N | 32.2 | Very low | 28.3 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 59% | 0.588 | 69% | 0.69 | S | S | * | * | cis | -154.6 | 143.8 | -0.6 | -116.3 | -9.7 | 0 | 0 | 0 | 112.6 | ||||
| 774 | N | 30.7 | Very low | 28.3 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 54% | 0.54 | 69% | 0.685 | S | S | . | * | trans | 37.6 | 130.1 | 135.3 | -50.2 | -20.4 | 0 | 0 | 0 | 121.3 | ||||
| 775 | N | 33.8 | Very low | 28.1 | Very low | 153 Ų | 153 | 128.4 Ų | 128.4 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | -168.5 | 119.5 | 90.5 | -79.8 | -40.4 | 0 | 0 | 0 | 109.1 | |||||
| 776 | N | 28.1 | Very low | 27.9 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 66% | 0.663 | 68% | 0.682 | S | S | * | * | 68.6 | 92.7 | 58 | -75.4 | -19.5 | 0 | 0 | 0 | 116.4 | |||||
| 777 | V | 27.6 | Very low | 28 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 85% | 0.848 | 68% | 0.68 | S | S | * | * | trans | -151.3 | 99.7 | 138.6 | 178 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 778 | V | 25.7 | Very low | 27.9 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 64% | 0.642 | 68% | 0.679 | S | S | * | * | 107 | 96.5 | 59.2 | 157 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 779 | F | 24.5 | Very low | 28 | Very low | 177 Ų | 177 | 131.7 Ų | 131.7 | 78% | 0.776 | 68% | 0.683 | S | S | * | * | trans | 58.7 | 149.5 | 130.2 | -67.3 | -70.1 | 0 | 0 | 0 | 122 | ||||
| 780 | K | 28.4 | Very low | 27.9 | Very low | 176 Ų | 176 | 132 Ų | 132 | 77% | 0.765 | 69% | 0.685 | S | S | * | * | cis | -130.1 | 153.4 | 6.8 | -88.1 | 120.9 | 174 | -167.4 | 0 | 109.1 | ||||
| 781 | T | 26 | Very low | 27.8 | Very low | 101 Ų | 101 | 133.4 Ų | 133.4 | 62% | 0.62 | 69% | 0.688 | S | S | * | * | 51.3 | 136.6 | 69.6 | 89.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 782 | D | 28.7 | Very low | 27.6 | Very low | 125 Ų | 125 | 134 Ų | 134 | 67% | 0.668 | 69% | 0.691 | S | S | * | * | cis | -149.4 | 148.9 | 45.4 | -76.1 | -34.9 | 0 | 0 | 0 | 114.4 | ||||
| 783 | N | 25.1 | Very low | 27.2 | Very low | 134 Ų | 134 | 135.8 Ų | 135.8 | 72% | 0.717 | 70% | 0.699 | S | S | * | * | 44.4 | 137.9 | 129.6 | -53.5 | -39.3 | 0 | 0 | 0 | 121.3 | |||||
| 784 | T | 25.9 | Very low | 26.8 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 69% | 0.693 | 71% | 0.709 | S | S | * | * | cis | -169.4 | 159.7 | 10.1 | 4.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 785 | K | 26.1 | Very low | 26.5 | Very low | 178 Ų | 178 | 139.3 Ų | 139.3 | 77% | 0.774 | 72% | 0.722 | S | S | * | * | trans | 78.5 | 123 | 148.1 | -73.4 | 173.3 | 178.2 | -179.9 | 0 | 121.5 | ||||
| 786 | Q | 25.6 | Very low | 26 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 67% | 0.673 | 72% | 0.719 | S | S | * | * | trans | 56.6 | 129.6 | 145.7 | -89.2 | 55.7 | 35.7 | 0 | 0 | 120 | ||||
| 787 | H | 26 | Very low | 25.8 | Very low | 140 Ų | 140 | 141.5 Ų | 141.5 | 65% | 0.648 | 73% | 0.731 | S | S | * | * | cis | -168.5 | 135.1 | -10.6 | -138.7 | -140 | 0 | 0 | 0 | 109.9 | ||||
| 788 | I | 24.7 | Very low | 25.7 | Very low | 130 Ų | 130 | 138.7 Ų | 138.7 | 67% | 0.667 | 72% | 0.722 | S | S | * | * | trans | 46.1 | 129.6 | 132.9 | -67.4 | -171.3 | 0 | 0 | 0 | 119 | ||||
| 789 | I | 29 | Very low | 25.9 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 70% | 0.697 | 73% | 0.726 | S | S | * | * | cis | -162.4 | 122 | -1.6 | -104.8 | 175.2 | 0 | 0 | 0 | 104 | ||||
| 790 | D | 27 | Very low | 26 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 66% | 0.658 | 73% | 0.726 | S | S | * | * | 48.9 | 106.7 | 84.3 | -77.6 | -48.9 | 0 | 0 | 0 | 116.5 | |||||
| 791 | Q | 26.8 | Very low | 26 | Very low | 152 Ų | 152 | 135 Ų | 135 | 71% | 0.71 | 73% | 0.73 | S | S | * | * | 83.2 | 118.4 | 80.9 | -85.7 | -157.1 | 79.9 | 0 | 0 | 117.2 | |||||
| 792 | N | 25.3 | Very low | 25.8 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | trans | 61.6 | 144.3 | 134.9 | -74.7 | -37.9 | 0 | 0 | 0 | 123 | ||||
| 793 | I | 23 | Very low | 25.7 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 82% | 0.815 | 75% | 0.745 | S | S | * | * | trans | 79 | 106 | 160.5 | -60.9 | 153.7 | 0 | 0 | 0 | 118.4 | ||||
| 794 | L | 23.8 | Very low | 25.8 | Very low | 151 Ų | 151 | 137 Ų | 137 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | trans | 60.9 | 80 | 140.8 | -160.1 | 72.6 | 0 | 0 | 0 | 120.9 | ||||
| 795 | T | 25 | Very low | 25.8 | Very low | 134 Ų | 134 | 139.7 Ų | 139.7 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | -128.6 | 131.7 | 148.2 | 51.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 796 | K | 23.5 | Very low | 25.9 | Very low | 176 Ų | 176 | 137 Ų | 137 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | cis | 66.4 | 114.7 | 33.9 | -89.4 | -174.1 | 176.8 | 177.8 | 0 | 115 | ||||
| 797 | T | 24 | Very low | 26 | Very low | 146 Ų | 146 | 135.5 Ų | 135.5 | 90% | 0.896 | 76% | 0.759 | S | S | * | * | trans | 66.6 | 144.8 | 176.3 | 71.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 798 | A | 25.6 | Very low | 26.1 | Very low | 81 Ų | 81 | 137.9 Ų | 137.9 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | cis | -143.5 | -179.4 | -11.4 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 799 | T | 30.4 | Very low | 26.1 | Very low | 120 Ų | 120 | 139 Ų | 139 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | cis | -156.5 | 116.1 | 36.7 | 43.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 800 | T | 25.7 | Very low | 26 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | 64.8 | 83.4 | 84.8 | 63.6 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 801 | T | 27.9 | Very low | 26 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -141.6 | 99.3 | 148.6 | 26.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 802 | S | 23.6 | Very low | 26 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | -23 | 121.5 | 177.6 | 55.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 803 | I | 26.4 | Very low | 26.1 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | trans | -119.2 | 122.3 | 140.5 | -63.4 | 180 | 0 | 0 | 0 | 106.8 | Q805 | I803-Q805 PolarHBondContact O-N 3.27Š| ||
| 804 | V | 25.6 | Very low | 26.2 | Very low | 128 Ų | 128 | 136 Ų | 136 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -85.6 | 100.2 | 179.6 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | P806 | V804-P806 WeakPolarHBondContact O-CD 3.39Š| ||
| 805 | Q | 26.8 | Very low | 26.4 | Very low | 171 Ų | 171 | 134.8 Ų | 134.8 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | trans | -75.9 | 123.2 | 162.8 | -73.6 | -175.4 | -38.2 | 0 | 0 | 109 | I803 S807 | I803-Q805 PolarHBondContact O-N 3.27Å; Q805-S807 PolarHBondContact O-N 3.49Å | ||
| 806 | P | 29.3 | Very low | 26.5 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | trans | -72.8 | 115 | 167.7 | 29.6 | -30.9 | 0 | 0 | 0 | 108.8 | V804 | V804-P806 WeakPolarHBondContact O-CD 3.39Š| ||
| 807 | S | 27.7 | Very low | 26.7 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | trans | -58.3 | 148.2 | 176.3 | -48.5 | 0 | 0 | 0 | 0 | 112.1 | Q805 L809 | Q805-S807 PolarHBondContact O-N 3.49Å; S807-L809 PolarHBondContact O-N 3.19Å; S807-L809 VanDerWaalsContact O-N 3.12Å | ||
| 808 | E | 26.5 | Very low | 26.9 | Very low | 189 Ų | 189 | 128 Ų | 128 | 88% | 0.883 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -15.8 | 97.7 | 167.6 | -59.7 | 174.6 | -177.2 | 0 | 0 | 116.5 | ||
| 809 | L | 26.2 | Very low | 27.1 | Very low | 155 Ų | 155 | 129 Ų | 129 | 81% | 0.812 | 73% | 0.732 | S | S | * | * | trans | -171.3 | 84.5 | 145.5 | -129.7 | 72.2 | 0 | 0 | 0 | 113.1 | S807 | S807-L809 PolarHBondContact O-N 3.19Å; S807-L809 VanDerWaalsContact O-N 3.12Å | ||
| 810 | C | 25.9 | Very low | 27.1 | Very low | 85 Ų | 85 | 129.3 Ų | 129.3 | 57% | 0.574 | 74% | 0.736 | S | S | * | * | trans | -150.1 | 37.7 | 169.8 | 55.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 811 | H | 26.7 | Very low | 27.3 | Very low | 147 Ų | 147 | 128.8 Ų | 128.8 | 68% | 0.681 | 73% | 0.733 | S | S | * | * | trans | -124.7 | 76.7 | 159.8 | -104.9 | 46.2 | 0 | 0 | 0 | 110.6 | ||||
| 812 | I | 26.7 | Very low | 27.6 | Very low | 139 Ų | 139 | 131 Ų | 131 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | trans | -106.8 | 77 | 167.6 | -53.3 | -179.4 | 0 | 0 | 0 | 108.1 | ||||
| 813 | Q | 28.4 | Very low | 28 | Very low | 141 Ų | 141 | 129.5 Ų | 129.5 | 66% | 0.659 | 71% | 0.714 | S | S | * | * | trans | -84.7 | 125 | 150.5 | -64.9 | -165.6 | 25.7 | 0 | 0 | 106.9 | I815 | Q813-I815 PolarHBondContact O-N 3.4Š| ||
| 814 | P | 24.8 | Very low | 28.3 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 80% | 0.799 | 71% | 0.706 | S | S | * | * | trans | -79.8 | 104 | -172.2 | 30.5 | -33.8 | 0 | 0 | 0 | 111.1 | ||||
| 815 | I | 28.1 | Very low | 28.7 | Very low | 127 Ų | 127 | 123.5 Ų | 123.5 | 65% | 0.651 | 68% | 0.679 | S | S | * | * | trans | -124.7 | 132.4 | 172.4 | -58.9 | -177.4 | 0 | 0 | 0 | 109.6 | Q813 | Q813-I815 PolarHBondContact O-N 3.4Š| ||
| 816 | L | 26.6 | Very low | 29 | Very low | 111 Ų | 111 | 119.1 Ų | 119.1 | 58% | 0.581 | 66% | 0.661 | S | S | * | * | trans | -79.1 | 139 | -169.9 | -47.9 | 95.8 | 0 | 0 | 0 | 113.9 | R102 | R102-L816 PolarHBondContact NH1-O 2.97Å; R102-L816 PolarHBondContact NH2-O 2.79Å | ||
| 817 | I | 27.8 | Very low | 29.1 | Very low | 112 Ų | 112 | 117.5 Ų | 117.5 | 57% | 0.574 | 65% | 0.645 | S | S | * | * | trans | -175.6 | 120.4 | 137.4 | -90.3 | 144.7 | 0 | 0 | 0 | 105.3 | R102 | R102-I817 VanDerWaalsContact NH1-CD1 3.3Š| ||
| 818 | S | 28.6 | Very low | 29.3 | Very low | 89 Ų | 89 | 115.4 Ų | 115.4 | 62% | 0.622 | 63% | 0.628 | S | S | * | * | cis | 97.5 | 114.6 | 38.5 | -65.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 819 | S | 29.9 | Very low | 29.7 | Very low | 104 Ų | 104 | 113.6 Ų | 113.6 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | trans | 80.3 | 129.8 | 158.1 | -55 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 820 | P | 29.7 | Very low | 29.9 | Very low | 126 Ų | 126 | 112.5 Ų | 112.5 | 82% | 0.818 | 62% | 0.615 | S | S | * | * | trans | -88.8 | 165 | 176.8 | 37.7 | -36.2 | 0 | 0 | 0 | 112.9 | ||||
| 821 | V | 30.9 | Very low | 30 | Very low | 112 Ų | 112 | 116.2 Ų | 116.2 | 68% | 0.679 | 63% | 0.628 | S | S | * | * | trans | -107.6 | 123.6 | 168 | 177 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 822 | K | 33.4 | Very low | 30.2 | Very low | 185 Ų | 185 | 112.3 Ų | 112.3 | 80% | 0.804 | 63% | 0.627 | S | S | * | * | trans | -84.8 | 139.5 | 162.5 | -67.7 | -179.4 | 178.2 | 179.3 | 0 | 108.7 | ||||
| 823 | N | 32.4 | Very low | 30.4 | Very low | 83 Ų | 83 | 112.8 Ų | 112.8 | 44% | 0.444 | 64% | 0.637 | S | S | . | * | trans | -101.9 | 118.3 | 159 | -116.7 | -36.9 | 0 | 0 | 0 | 108.8 | S185 T188 | S185-N823 VanDerWaalsContact CB-ND2 3.29Å; S185-N823 WeakPolarHBondContact CB-ND2 3.41Å; T188-N823 HydrophobicContact CG2-CB 4.17Å | ||
| 824 | N | 32 | Very low | 30.5 | Very low | 124 Ų | 124 | 109.8 Ų | 109.8 | 66% | 0.663 | 64% | 0.643 | S | S | * | * | trans | -115.6 | 117 | 172.6 | -110.8 | 40.5 | 0 | 0 | 0 | 107.4 | ||||
| 825 | N | 34.6 | Very low | 30.7 | Very low | 37 Ų | 37 | 108.6 Ų | 108.6 | 20% | 0.198 | 64% | 0.638 | C | S | . | * | trans | -148.2 | 121.4 | 149.7 | -74.8 | -78.7 | 0 | 0 | 0 | 106.9 | H183 R184 | H183-N825 WeakPolarHBondContact O-CB 3.48Å; R184-N825 HydrophobicContact CB-CB 3.71Å; R184-N825 WeakPolarHBondContact CB-ND2 3.5Å; R184-N825 WeakPolarHBondContact CD-ND2 3.38Å; R184-N825 WeakPolarHBondContact CD-OD1 3.27Å; R184-N825 PolarHBondContact NH1-OD1 2.88Å | ||
| 826 | N | 33.3 | Very low | 30.7 | Very low | 78 Ų | 78 | 112.7 Ų | 112.7 | 42% | 0.417 | 65% | 0.647 | S | S | . | * | 71.8 | 120.3 | 59.5 | -62.1 | -7.6 | 0 | 0 | 0 | 108.8 | E182 H183 | E182-N826 VanDerWaalsContact OE1-C 3.24Å; H183-N826 WeakPolarHBondContact CB-O 3.29Å | |||
| 827 | N | 31.6 | Very low | 30.9 | Very low | 87 Ų | 87 | 113.7 Ų | 113.7 | 47% | 0.465 | 65% | 0.651 | S | S | . | * | cis | -164.5 | 146.1 | 25.1 | -112.6 | -14.2 | 0 | 0 | 0 | 112.9 | L181 E182 | L181-N827 WeakPolarHBondContact CD1-O 3.38Å; L181-N827 WeakPolarHBondContact CD2-O 3.1Å; L181-N827 WeakPolarHBondContact CG-O 3.27Å; E182-N827 WeakPolarHBondContact OE1-CA 3.36Å; E182-N827 PolarHBondContact OE1-N 2.96Å | ||
| 828 | T | 31.6 | Very low | 30.9 | Very low | 70 Ų | 70 | 114.7 Ų | 114.7 | 43% | 0.429 | 66% | 0.658 | S | S | . | * | trans | 95.2 | 116.7 | 134.2 | 55.3 | 0 | 0 | 0 | 0 | 125 | L181 | L181-T828 WeakPolarHBondContact CD1-O 3.36Å; L181-T828 VanDerWaalsContact CD2-O 3.25Å; L181-T828 WeakPolarHBondContact CD2-O 3.36Å | ||
| 829 | H | 34.2 | Very low | 31.2 | Very low | 150 Ų | 150 | 115.1 Ų | 115.1 | 69% | 0.694 | 66% | 0.661 | S | S | * | * | trans | 79.9 | 115.5 | 132.5 | -69.6 | -47.9 | 0 | 0 | 0 | 123.4 | ||||
| 830 | N | 30.6 | Very low | 31.3 | Very low | 133 Ų | 133 | 117.3 Ų | 117.3 | 71% | 0.711 | 66% | 0.664 | S | S | * | * | 77 | 151.2 | 129.5 | -60.7 | 0.8 | 0 | 0 | 0 | 120.1 | |||||
| 831 | L | 29 | Very low | 31.2 | Very low | 163 Ų | 163 | 116 Ų | 116 | 85% | 0.853 | 66% | 0.658 | S | S | * | * | cis | -167.4 | 129.4 | -28.6 | -173.2 | 71.8 | 0 | 0 | 0 | 109.9 | ||||
| 832 | G | 30.4 | Very low | 31.1 | Very low | 64 Ų | 64 | 118 Ų | 118 | 66% | 0.66 | 66% | 0.663 | S | S | * | * | trans | 71.7 | 177 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 833 | T | 29.6 | Very low | 30.9 | Very low | 150 Ų | 150 | 113.6 Ų | 113.6 | 92% | 0.92 | 66% | 0.656 | S | S | * | * | cis | -175 | 141.1 | -23.2 | 15.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 834 | G | 31 | Very low | 30.8 | Very low | 77 Ų | 77 | 115.3 Ų | 115.3 | 79% | 0.794 | 67% | 0.665 | S | S | * | * | trans | 99.8 | 129 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 835 | S | 29.5 | Very low | 30.9 | Very low | 99 Ų | 99 | 117.5 Ų | 117.5 | 69% | 0.692 | 67% | 0.671 | S | S | * | * | cis | 103.6 | 137.3 | 16.9 | -166.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 836 | Y | 28 | Very low | 30.9 | Very low | 212 Ų | 212 | 119.8 Ų | 119.8 | 83% | 0.831 | 69% | 0.69 | S | S | * | * | trans | 71.9 | 153.4 | 175.5 | -60.5 | -62.9 | 0 | 0 | 0 | 116.1 | ||||
| 837 | I | 30.1 | Very low | 30.9 | Very low | 132 Ų | 132 | 122.4 Ų | 122.4 | 68% | 0.677 | 70% | 0.704 | S | S | * | * | cis | -151.8 | 155.9 | 3.4 | -131.5 | 157.8 | 0 | 0 | 0 | 111.4 | ||||
| 838 | D | 27.5 | Very low | 31 | Very low | 133 Ų | 133 | 124.7 Ų | 124.7 | 71% | 0.711 | 72% | 0.716 | S | S | * | * | trans | 19.5 | 156.2 | 154.2 | -45.5 | -22.1 | 0 | 0 | 0 | 122.2 | ||||
| 839 | S | 35.1 | Very low | 31.2 | Very low | 99 Ų | 99 | 126.4 Ų | 126.4 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | cis | -170.7 | 156.2 | 42.5 | -44.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 840 | N | 32.3 | Very low | 31.3 | Very low | 149 Ų | 149 | 127.1 Ų | 127.1 | 80% | 0.797 | 72% | 0.724 | S | S | * | * | 41.5 | 151.3 | 128.9 | -68.2 | -28.8 | 0 | 0 | 0 | 123.5 | |||||
| 841 | C | 27.7 | Very low | 31.5 | Very low | 100 Ų | 100 | 125.1 Ų | 125.1 | 68% | 0.676 | 72% | 0.721 | S | S | * | * | cis | -171.9 | 154.1 | -19.8 | -120.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 842 | L | 28.5 | Very low | 31.9 | Very low | 152 Ų | 152 | 126 Ų | 126 | 80% | 0.796 | 72% | 0.72 | S | S | * | * | trans | 41.7 | 121.2 | 142.2 | -101.5 | 69 | 0 | 0 | 0 | 123.8 | ||||
| 843 | S | 30.1 | Very low | 32 | Very low | 93 Ų | 93 | 127.8 Ų | 127.8 | 65% | 0.65 | 72% | 0.723 | S | S | * | * | 127.5 | 150.7 | 98.3 | 69.7 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 844 | N | 30.9 | Very low | 32.2 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 64% | 0.642 | 71% | 0.713 | S | S | * | * | trans | 91 | 111.9 | 146.2 | -70.6 | -42.3 | 0 | 0 | 0 | 123.8 | ||||
| 845 | Q | 33.7 | Very low | 32.2 | Very low | 169 Ų | 169 | 129.8 Ų | 129.8 | 79% | 0.79 | 71% | 0.713 | S | S | * | * | 74.9 | 144.8 | 125.4 | -67.1 | 174.6 | 45.5 | 0 | 0 | 120 | |||||
| 846 | S | 34.2 | Very low | 32.3 | Very low | 86 Ų | 86 | 130 Ų | 130 | 60% | 0.601 | 71% | 0.712 | S | S | * | * | cis | -168 | 166.1 | -8.4 | 56 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 847 | N | 33.5 | Very low | 32.4 | Very low | 132 Ų | 132 | 125.5 Ų | 125.5 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | trans | 78.8 | 124.1 | 144.5 | -66.8 | -17 | 0 | 0 | 0 | 124.1 | ||||
| 848 | N | 33.4 | Very low | 32.8 | Very low | 135 Ų | 135 | 124.6 Ų | 124.6 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | trans | 72.8 | 145.9 | 139.8 | -57.7 | -9.2 | 0 | 0 | 0 | 119.2 | ||||
| 849 | D | 36.6 | Very low | 33.2 | Very low | 106 Ų | 106 | 123.7 Ų | 123.7 | 57% | 0.567 | 72% | 0.718 | S | S | * | * | cis | -154 | 160.7 | 2.2 | -138.2 | -12.3 | 0 | 0 | 0 | 113.8 | ||||
| 850 | K | 35.4 | Very low | 32.9 | Very low | 166 Ų | 166 | 126.3 Ų | 126.3 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | trans | 29.3 | 138.8 | 150.9 | -71.4 | 161.2 | -167.5 | 80.1 | 0 | 120.7 | ||||
| 851 | S | 35.8 | Very low | 32.9 | Very low | 91 Ų | 91 | 126 Ų | 126 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | cis | -174 | 151.1 | 13.2 | 48.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 852 | H | 35.9 | Very low | 33 | Very low | 180 Ų | 180 | 127.2 Ų | 127.2 | 83% | 0.833 | 73% | 0.725 | S | S | * | * | trans | 46.6 | 133.7 | 154.7 | -54.2 | -55 | 0 | 0 | 0 | 120.1 | ||||
| 853 | S | 32.8 | Very low | 33.1 | Very low | 103 Ų | 103 | 127 Ų | 127 | 72% | 0.72 | 73% | 0.725 | S | S | * | * | cis | -177.6 | -171.2 | 1.4 | 43.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 854 | I | 34.3 | Very low | 32.9 | Very low | 139 Ų | 139 | 127.2 Ų | 127.2 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | cis | -147.9 | 92.6 | 15.2 | -44.8 | 162.4 | 0 | 0 | 0 | 112.1 | ||||
| 855 | T | 31.3 | Very low | 33 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 80% | 0.798 | 74% | 0.737 | S | S | * | * | trans | 71.2 | 178.5 | 148.5 | 77.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 856 | P | 31.9 | Very low | 32.9 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 68% | 0.675 | 73% | 0.734 | S | S | * | * | -119 | 159.9 | -109.1 | 15.4 | 11.1 | 0 | 0 | 0 | 114.7 | |||||
| 857 | S | 30.2 | Very low | 33.1 | Very low | 117 Ų | 117 | 128 Ų | 128 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | 71.4 | 130.4 | 63.3 | -37.7 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 858 | S | 37.8 | Very low | 33.2 | Very low | 112 Ų | 112 | 126.1 Ų | 126.1 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | trans | -79.6 | 163.2 | -176.6 | -40.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 859 | P | 35.9 | Very low | 33.2 | Very low | 114 Ų | 114 | 125.6 Ų | 125.6 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | -124.8 | 137.1 | 128.7 | 3.7 | 18 | 0 | 0 | 0 | 110.8 | |||||
| 860 | L | 28.6 | Very low | 33.1 | Very low | 154 Ų | 154 | 126.6 Ų | 126.6 | 81% | 0.806 | 75% | 0.753 | S | S | * | * | 87.4 | 153.2 | 57 | -73.3 | 168.9 | 0 | 0 | 0 | 114.5 | |||||
| 861 | L | 31.8 | Very low | 33 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | 83.7 | 108 | 165.6 | -47.8 | -174.4 | 0 | 0 | 0 | 117.4 | ||||
| 862 | T | 31.4 | Very low | 33 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | 82.6 | 147.6 | 99.3 | 62.4 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 863 | N | 30.5 | Very low | 32.9 | Very low | 147 Ų | 147 | 125.6 Ų | 125.6 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | cis | -145.1 | 171.6 | -1.6 | -159.3 | 9.8 | 0 | 0 | 0 | 111 | ||||
| 864 | C | 24.6 | Very low | 33.1 | Very low | 99 Ų | 99 | 125.1 Ų | 125.1 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | trans | -68.5 | 163 | 173.1 | -49.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 865 | N | 33.4 | Very low | 33.2 | Very low | 164 Ų | 164 | 124.5 Ų | 124.5 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | -171.4 | 130.4 | 127.8 | -94.3 | -20.1 | 0 | 0 | 0 | 112.1 | |||||
| 866 | S | 31.7 | Very low | 33.4 | Very low | 105 Ų | 105 | 124.1 Ų | 124.1 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | -93 | 158.5 | 168.4 | -53.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 867 | P | 39.2 | Very low | 33.2 | Very low | 122 Ų | 122 | 124.4 Ų | 124.4 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | -129.6 | 143.1 | 101.3 | 13.1 | 7.1 | 0 | 0 | 0 | 111.3 | |||||
| 868 | S | 35.2 | Very low | 33.2 | Very low | 92 Ų | 92 | 123.7 Ų | 123.7 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | cis | 94.1 | 117 | 43.2 | -65 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 869 | T | 33.1 | Very low | 32.8 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | trans | 74.1 | 148.6 | 147.2 | 55.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 870 | T | 34.9 | Very low | 32.8 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | trans | 70.8 | 145.9 | 172.9 | 70.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 871 | L | 33.3 | Very low | 33.2 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 71% | 0.707 | 76% | 0.762 | S | S | * | * | cis | -179.8 | 138.9 | -42.6 | -113.5 | 163.7 | 0 | 0 | 0 | 106.3 | ||||
| 872 | Q | 34.6 | Very low | 33.6 | Very low | 180 Ų | 180 | 130 Ų | 130 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | trans | 60.9 | 171.4 | 167 | -61.7 | 156.5 | -21.6 | 0 | 0 | 116.3 | ||||
| 873 | S | 34.6 | Very low | 34 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | cis | -170.5 | 164.4 | -49.4 | -167.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 874 | S | 37.6 | Very low | 34.2 | Very low | 93 Ų | 93 | 125.8 Ų | 125.8 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | trans | 60.8 | 103.6 | 147.7 | 53.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 875 | T | 35.3 | Very low | 34.8 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | 78.8 | 154.2 | 115.4 | -29.7 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 876 | V | 35.3 | Very low | 35.2 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 75% | 0.745 | 75% | 0.749 | S | S | * | * | trans | 89.6 | 92.6 | 158.1 | -165.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 877 | C | 29.1 | Very low | 35.6 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | 58.1 | 133.7 | 117.5 | -144.9 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 878 | C | 29.4 | Very low | 35.7 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | trans | 66.3 | 120.5 | 146 | -88 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 879 | L | 30.2 | Very low | 36 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 82% | 0.817 | 75% | 0.752 | S | S | * | * | trans | 79.3 | 147.5 | 139.3 | -62.7 | 172.2 | 0 | 0 | 0 | 121 | ||||
| 880 | L | 34.8 | Very low | 36.5 | Very low | 168 Ų | 168 | 128 Ų | 128 | 88% | 0.88 | 75% | 0.746 | S | S | * | * | trans | 80.9 | 118.9 | 159 | -65.8 | 154.5 | 0 | 0 | 0 | 121.1 | ||||
| 881 | R | 36.5 | Very low | 37 | Very low | 235 Ų | 235 | 127.2 Ų | 127.2 | 89% | 0.887 | 75% | 0.745 | S | S | * | * | trans | -52.2 | 169.4 | 155.5 | -82 | 177.8 | 160.4 | -166.9 | -0.4 | 113.3 | ||||
| 882 | P | 41.1 | Very low | 37.4 | Very low | 96 Ų | 96 | 124.2 Ų | 124.2 | 62% | 0.623 | 75% | 0.747 | S | S | * | * | cis | -146.8 | -177 | -41.8 | 42.9 | -25 | 0 | 0 | 0 | 114.5 | ||||
| 883 | S | 38.7 | Very low | 38 | Very low | 111 Ų | 111 | 121 Ų | 121 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | 75.9 | 138.4 | 149.6 | -56.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 884 | G | 34.8 | Very low | 38.5 | Very low | 72 Ų | 72 | 121.3 Ų | 121.3 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | trans | 132.7 | 78 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 885 | R | 39.1 | Very low | 38.4 | Very low | 234 Ų | 234 | 123 Ų | 123 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | 74.2 | 133.8 | 67.9 | -164.4 | -145.2 | 176.7 | -147.6 | -0.6 | 113.4 | |||||
| 886 | S | 41.8 | Very low | 38.6 | Very low | 79 Ų | 79 | 120 Ų | 120 | 55% | 0.552 | 75% | 0.752 | S | S | * | * | trans | 89.5 | 140.5 | 163.7 | -23.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 887 | T | 39.2 | Very low | 39 | Very low | 121 Ų | 121 | 120.2 Ų | 120.2 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | cis | -167.6 | 162 | -5.8 | 6.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 888 | S | 41.4 | Very low | 39.5 | Very low | 97 Ų | 97 | 120.6 Ų | 120.6 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | 54.2 | 142 | 145.2 | 62.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 889 | T | 40.9 | Very low | 39.8 | Very low | 132 Ų | 132 | 121.7 Ų | 121.7 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | cis | -177.6 | 170 | 9.8 | 13.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 890 | S | 44.8 | Very low | 40.2 | Very low | 92 Ų | 92 | 120.3 Ų | 120.3 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | cis | -167.8 | 173.3 | -4 | 43.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 891 | S | 45.6 | Very low | 40.5 | Very low | 110 Ų | 110 | 116 Ų | 116 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | 38.8 | 115.2 | 147.3 | 58.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 892 | G | 41.8 | Very low | 40.6 | Very low | 72 Ų | 72 | 111.9 Ų | 111.9 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | 142.6 | 174.7 | 52.6 | 0 | 0 | 0 | 0 | 0 | 108 | |||||
| 893 | S | 47 | Very low | 40.4 | Very low | 113 Ų | 113 | 111.1 Ų | 111.1 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | cis | -156.7 | 176.9 | 9.2 | -66 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 894 | S | 44.6 | Very low | 40.3 | Very low | 105 Ų | 105 | 109.6 Ų | 109.6 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -13.5 | 154.3 | 154 | 53.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 895 | C | 34.8 | Very low | 40 | Very low | 128 Ų | 128 | 110.2 Ų | 110.2 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | cis | -173.7 | 171.1 | 7.2 | 41.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 896 | G | 39.6 | Very low | 40.3 | Very low | 65 Ų | 65 | 105.8 Ų | 105.8 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | cis | 156.5 | 159.6 | -3.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 897 | S | 43.1 | Very low | 40.2 | Very low | 126 Ų | 126 | 106.3 Ų | 106.3 | 88% | 0.881 | 79% | 0.79 | S | S | * | * | trans | 53.7 | 136.2 | 161.7 | -49.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 898 | S | 41 | Very low | 40.3 | Very low | 118 Ų | 118 | 108 Ų | 108 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | cis | -150.7 | 158.4 | 15.3 | -43 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 899 | C | 35 | Very low | 40.2 | Very low | 126 Ų | 126 | 107.1 Ų | 107.1 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | -155 | 161.5 | 59 | 56.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 900 | S | 39.1 | Very low | 40.4 | Very low | 126 Ų | 126 | 106.4 Ų | 106.4 | 88% | 0.881 | 79% | 0.794 | S | S | * | * | trans | -120.4 | 132.5 | -173.8 | -57.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 901 | G | 40 | Very low | 41 | Very low | 79 Ų | 79 | 105 Ų | 105 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | -126.2 | 100.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 902 | T | 39.8 | Very low | 42.2 | Very low | 147 Ų | 147 | 106.2 Ų | 106.2 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | -63.5 | 147.7 | 173.8 | 46.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 903 | G | 36.2 | Very low | 44.4 | Very low | 81 Ų | 81 | 109.2 Ų | 109.2 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | cis | 167.3 | 164 | -1.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 904 | G | 35.9 | Very low | 46.7 | Very low | 78 Ų | 78 | 109.3 Ų | 109.3 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 162.9 | 96.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 905 | G | 30.3 | Very low | 49.2 | Very low | 85 Ų | 85 | 104.4 Ų | 104.4 | 88% | 0.876 | 73% | 0.734 | S | S | * | * | trans | -80.7 | 120.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 906 | V | 44.7 | Very low | 52.1 | Low | 141 Ų | 141 | 101.6 Ų | 101.6 | 86% | 0.855 | 72% | 0.716 | S | S | * | * | trans | -88 | 112.4 | 166.4 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | V908 | V906-V908 PolarHBondContact O-N 3.2Š| ||
| 907 | S | 38.7 | Very low | 54.9 | Low | 90 Ų | 90 | 98.5 Ų | 98.5 | 63% | 0.629 | 68% | 0.684 | S | S | * | * | trans | -66.1 | 124.3 | 177.5 | 51.9 | 0 | 0 | 0 | 0 | 111.5 | S909 | S907-S909 VanDerWaalsContact C-N 3.33Å; S907-S909 PolarHBondContact O-N 3.49Å; S907-S909 PolarHBondContact O-OG 2.83Å; S907-S909 PolarHBondContact OG-OG 3.22Å | ||
| 908 | V | 41.3 | Very low | 57.5 | Low | 157 Ų | 157 | 92.5 Ų | 92.5 | 95% | 0.952 | 64% | 0.642 | S | S | * | * | trans | -73.6 | 86.8 | 174 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | V906 | V906-V908 PolarHBondContact O-N 3.2Š| ||
| 909 | S | 39.7 | Very low | 60.1 | Low | 79 Ų | 79 | 90 Ų | 90 | 55% | 0.552 | 63% | 0.625 | S | S | * | * | trans | -153 | 131.1 | -177.7 | 50.5 | 0 | 0 | 0 | 0 | 111.3 | S907 | S907-S909 VanDerWaalsContact C-N 3.33Å; S907-S909 PolarHBondContact O-N 3.49Å; S907-S909 PolarHBondContact O-OG 2.83Å; S907-S909 PolarHBondContact OG-OG 3.22Å | ||
| 910 | S | 45.8 | Very low | 63 | Low | 116 Ų | 116 | 85 Ų | 85 | 81% | 0.811 | 59% | 0.59 | S | S | * | * | S | Bend | trans | 73.7 | 66.1 | 176.5 | 71.3 | 0 | 0 | 0 | 0 | 119.2 | Q912 | S910-Q912 PolarHBondContact O-N 3.34Š|
| 911 | G | 57.7 | Low | 65.7 | Low | 63 Ų | 63 | 87 Ų | 87 | 65% | 0.649 | 58% | 0.578 | S | S | * | * | 77.1 | 15.9 | 124.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | Y913 | G911-Y913 WeakPolarHBondContact O-CD2 3.14Å; G911-Y913 PolarHBondContact O-N 2.9Å | |||
| 912 | Q | 69.3 | Low | 68.4 | Low | 136 Ų | 136 | 83.8 Ų | 83.8 | 64% | 0.636 | 54% | 0.544 | S | S | * | . | trans | -80 | 87.7 | 178.3 | -61.9 | -158.8 | 39.2 | 0 | 0 | 113.3 | S910 | S910-Q912 PolarHBondContact O-N 3.34Š| ||
| 913 | Y | 88 | Confident | 71 | Confident | 134 Ų | 134 | 79.9 Ų | 79.9 | 53% | 0.525 | 52% | 0.523 | S | S | . | . | trans | -66.9 | 147 | 172.5 | -63.8 | -80.8 | 0 | 0 | 0 | 112.7 | G911 A922 F930 | G911-Y913 WeakPolarHBondContact O-CD2 3.14Å; G911-Y913 PolarHBondContact O-N 2.9Å; Y913-A922 WeakPolarHBondContact O-CB 3.04Å; Y913-A922 PolarHBondContact O-N 3.19Å; Y913-F930 AromaticContact CD1-CD1 3.82Å; Y913-F930 HydrophobicContact CD1-CD1 3.82Å; Y913-F930 HydrophobicContact CD1-CD2 4.09Å; Y913-F930 AromaticContact CD1-CE1 3.44Å; Y913-F930 HydrophobicContact CD1-CE1 3.44Å; Y913-F930 VanDerWaalsContact CD1-CE1 3.44Å; Y913-F930 AromaticContact CD1-CE2 3.72Å; Y913-F930 HydrophobicContact CD1-CE2 3.72Å; Y913-F930 HydrophobicContact CD1-CG 4.13Å; Y913-F930 AromaticContact CD1-CZ 3.37Å; Y913-F930 HydrophobicContact CD1-CZ 3.37Å; Y913-F930 HydrophobicContact CD2-CD1 4.19Å; Y913-F930 AromaticContact CD2-CE1 3.66Å; Y913-F930 HydrophobicContact CD2-CE1 3.66Å; Y913-F930 HydrophobicContact CD2-CZ 4.25Å; Y913-F930 HydrophobicContact CE1-CD1 4.49Å; Y913-F930 AromaticContact CE1-CE1 3.68Å; Y913-F930 HydrophobicContact CE1-CE1 3.68Å; Y913-F930 AromaticContact CE1-CE2 3.76Å; Y913-F930 HydrophobicContact CE1-CE2 3.76Å; Y913-F930 AromaticContact CE1-CZ 3.24Å; Y913-F930 HydrophobicContact CE1-CZ 3.24Å; Y913-F930 AromaticContact CE2-CE1 3.88Å; Y913-F930 HydrophobicContact CE2-CE1 3.88Å; Y913-F930 HydrophobicContact CE2-CZ 4.14Å; Y913-F930 AromaticContact CG-CD1 3.64Å; Y913-F930 HydrophobicContact CG-CD1 3.64Å; Y913-F930 AromaticContact CG-CE1 3.42Å; Y913-F930 HydrophobicContact CG-CE1 3.42Å; Y913-F930 VanDerWaalsContact CG-CE1 3.42Å; Y913-F930 HydrophobicContact CG-CG 4.28Å; Y913-F930 AromaticContact CG-CZ 3.89Å; Y913-F930 HydrophobicContact CG-CZ 3.89Å; Y913-F930 AromaticContact CZ-CE1 3.89Å; Y913-F930 AromaticContact CZ-CZ 3.65Å | ||
| 914 | I | 95.8 | Very high | 73.8 | Confident | 115 Ų | 115 | 77.1 Ų | 77.1 | 59% | 0.59 | 49% | 0.494 | S | S | * | . | B | Isolated β-bridge | trans | -105 | 146.5 | 178.1 | -63.3 | 174.2 | 0 | 0 | 0 | 110.2 | S916 | I914-S916 PolarHBondContact O-N 3.44Å |
| 915 | C | 98 | Very high | 76.6 | Confident | 2 Ų | 2 | 80.1 Ų | 80.1 | 1% | 0.014 | 49% | 0.485 | C | S | . | . | trans | -72.3 | 110.4 | 177.7 | 179 | 0 | 0 | 0 | 0 | 111.3 | I917 C918 S919 D920 S931 C932 | C915-I917 PolarHBondContact O-N 3.13Å; C915-C918 PolarHBondContact O-N 3.41Å; C915-S919 PolarHBondContact O-N 3.47Å; C915-D920 HydrophobicContact CB-CB 4.45Å; C915-D920 WeakPolarHBondContact CB-O 3.43Å; C915-D920 PolarHBondContact N-O 2.98Å; C915-S931 VanDerWaalsContact SG-CA 3.59Å; C915-C932 HydrophobicContact CB-CB 4.1Å; C915-C932 PolarHBondContact SG-N 3.04Å; C915-C932 VanDerWaalsContact SG-N 3.36Å | ||
| 916 | S | 95.8 | Very high | 79.8 | Confident | 70 Ų | 70 | 77.6 Ų | 77.6 | 49% | 0.49 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -15.6 | -178.2 | -49.4 | 0 | 0 | 0 | 0 | 114.2 | I914 F930 | I914-S916 PolarHBondContact O-N 3.44Å; S916-F930 PolarHBondContact N-O 2.88Å; S916-F930 PolarHBondContact OG-O 3.15Å |
| 917 | I | 97.5 | Very high | 82.3 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -42.2 | 180 | -63.5 | 72.7 | 0 | 0 | 0 | 111.7 | C915 V929 C935 I959 R971 K974 C975 A978 M980 | C915-I917 PolarHBondContact O-N 3.13Å; I917-V929 HydrophobicContact CD1-CG2 3.71Å; I917-C935 HydrophobicContact CB-CB 4.37Å; I917-C935 HydrophobicContact CG2-CB 4.49Å; I917-I959 HydrophobicContact CG2-CG2 4.05Å; I917-I959 WeakPolarHBondContact O-CG2 3.3Å; I917-I959 VanDerWaalsContact O-O 3.11Å; I917-R971 HydrophobicContact CG2-CG 4.37Å; I917-K974 HydrophobicContact CG2-CB 4.45Å; I917-K974 HydrophobicContact CG2-CG 4.45Å; I917-K974 WeakPolarHBondContact O-CD 3.42Å; I917-K974 WeakPolarHBondContact O-CE 3.32Å; I917-K974 PolarHBondContact O-NZ 3.25Å; I917-C975 HydrophobicContact CG1-CB 4.38Å; I917-A978 HydrophobicContact CD1-CB 4Å; I917-A978 HydrophobicContact CG1-CB 4.22Å; I917-M980 HydrophobicContact CD1-CE 3.93Å; I917-M980 HydrophobicContact CD1-SD 4.45Å |
| 918 | C | 97.9 | Very high | 85 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -145.6 | 27.9 | -166.7 | 69.1 | 0 | 0 | 0 | 0 | 115.2 | C915 D920 C935 I959 D960 K961 R964 | C915-C918 PolarHBondContact O-N 3.41Å; C918-D920 PolarHBondContact O-N 2.97Å; C918-C935 PolarHBondContact SG-SG 3.13Å; C918-I959 HydrophobicContact CB-CG2 4.03Å; C918-D960 CarbonylContact O-C 3.59Å; C918-K961 WeakPolarHBondContact O-CA 3.25Å; C918-K961 PolarHBondContact O-N 3.33Å; C918-R964 HydrophobicContact CB-CB 3.96Å; C918-R964 VanDerWaalsContact SG-CD 3.56Å; C918-R964 PolarHBondContact SG-NH1 3.38Å |
| 919 | S | 95.4 | Very high | 87.6 | Confident | 66 Ų | 66 | 64 Ų | 64 | 46% | 0.462 | 37% | 0.369 | S | S | . | . | S | Bend | trans | 57.7 | -0.6 | 170.9 | 53.4 | 0 | 0 | 0 | 0 | 117.1 | C915 D960 | C915-S919 PolarHBondContact O-N 3.47Å; S919-D960 PolarHBondContact OG-OD1 2.97Å |
| 920 | D | 96.3 | Very high | 90.4 | Very high | 21 Ų | 21 | 62.7 Ų | 62.7 | 11% | 0.112 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -73.4 | 163.4 | 174.4 | -160.2 | 2.7 | 0 | 0 | 0 | 112.2 | C915 C918 A922 C932 K961 R964 | C915-D920 HydrophobicContact CB-CB 4.45Å; C915-D920 WeakPolarHBondContact CB-O 3.43Å; C915-D920 PolarHBondContact N-O 2.98Å; C918-D920 PolarHBondContact O-N 2.97Å; D920-A922 PolarHBondContact O-N 2.99Å; D920-C932 HydrophobicContact CB-CB 4.1Å; D920-K961 HydrophobicContact CB-CB 4.2Å; D920-K961 HydrophobicContact CB-CD 4.07Å; D920-K961 HydrophobicContact CB-CG 4.04Å; D920-K961 WeakPolarHBondContact OD1-CD 3.29Å; D920-K961 WeakPolarHBondContact OD1-CE 3.34Å; D920-K961 IonicContact OD1-NZ 2.71Å; D920-K961 PolarHBondContact OD1-NZ 2.8Å; D920-R964 IonicContact OD2-CZ 3.64Å; D920-R964 IonicContact OD2-NH1 3.83Å; D920-R964 PolarHBondContact OD2-NH1 3.32Å; D920-R964 IonicContact OD2-NH2 2.7Å; D920-R964 PolarHBondContact OD2-NH2 3.09Å |
| 921 | R | 96 | Very high | 92.8 | Very high | 166 Ų | 166 | 57.2 Ų | 57.2 | 63% | 0.626 | 32% | 0.315 | S | S | * | . | B | Isolated β-bridge | trans | -61.6 | 125.7 | 177.4 | -176.7 | 171.9 | 173.6 | 178.2 | -1.5 | 110.1 | C932 | R921-C932 WeakPolarHBondContact O-CB 3.38Å |
| 922 | A | 96.6 | Very high | 94.7 | Very high | 12 Ų | 12 | 54.4 Ų | 54.4 | 10% | 0.099 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 141.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y913 D920 F930 S931 | Y913-A922 WeakPolarHBondContact O-CB 3.04Å; Y913-A922 PolarHBondContact O-N 3.19Å; D920-A922 PolarHBondContact O-N 2.99Å; A922-F930 HydrophobicContact CB-CB 4.28Å; A922-S931 WeakPolarHBondContact CA-O 3.46Å; A922-S931 WeakPolarHBondContact CB-O 3.49Å |
| 923 | S | 94.9 | Very high | 96.1 | Very high | 66 Ų | 66 | 52.5 Ų | 52.5 | 46% | 0.462 | 28% | 0.277 | S | S | . | . | trans | -90.3 | -12.2 | 171.5 | 49.6 | 0 | 0 | 0 | 0 | 112.4 | H926 S931 E933 | S923-H926 PolarHBondContact OG-NE2 3.32Å; S923-S931 PolarHBondContact N-O 3.01Å; S923-S931 PolarHBondContact OG-O 3.13Å; S923-E933 WeakPolarHBondContact CB-OE1 3.32Å; S923-E933 PolarHBondContact OG-OE1 3.22Å | ||
| 924 | G | 93.8 | Very high | 96.5 | Very high | 22 Ų | 22 | 47.5 Ų | 47.5 | 23% | 0.227 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.4 | -166.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F930 S931 | G924-F930 WeakPolarHBondContact O-CA 3.35Å; G924-S931 PolarHBondContact O-N 3.48Å; G924-S931 VanDerWaalsContact O-N 3.08Å |
| 925 | K | 95.9 | Very high | 96.7 | Very high | 141 Ų | 141 | 42 Ų | 42 | 61% | 0.613 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -84 | 121.4 | 165.8 | -67.9 | -171.4 | -178.8 | -177.6 | 0 | 109.5 | V929 F930 | K925-V929 CarbonylContact C-O 3.39Å; K925-V929 VanDerWaalsContact CA-O 3.28Å; K925-V929 WeakPolarHBondContact CA-O 3.4Å; K925-F930 HydrophobicContact CD-CE1 4.37Å; K925-F930 HydrophobicContact CD-CE2 4.44Å; K925-F930 HydrophobicContact CD-CZ 4.17Å; K925-F930 VanDerWaalsContact CE-CE2 3.41Å; K925-F930 HydrophobicContact CG-CD1 3.71Å; K925-F930 HydrophobicContact CG-CD2 4.37Å; K925-F930 HydrophobicContact CG-CE1 3.53Å; K925-F930 HydrophobicContact CG-CE2 4.22Å; K925-F930 HydrophobicContact CG-CG 4.14Å; K925-F930 HydrophobicContact CG-CZ 3.81Å |
| 926 | H | 97.2 | Very high | 96.6 | Very high | 32 Ų | 32 | 44.6 Ų | 44.6 | 15% | 0.148 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 131.9 | 173.7 | -52.9 | -74.2 | 0 | 0 | 0 | 108.8 | S923 G928 V929 S931 E933 K936 | S923-H926 PolarHBondContact OG-NE2 3.32Å; H926-G928 PolarHBondContact O-N 3.05Å; H926-G928 VanDerWaalsContact O-N 3.08Å; H926-V929 PolarHBondContact N-O 2.87Å; H926-V929 PolarHBondContact O-N 3.4Å; H926-V929 VanDerWaalsContact O-N 3.13Å; H926-S931 PolarHBondContact CD2-O 3.1Å; H926-S931 PolarHBondContact CD2-OG 2.97Å; H926-E933 IonicContact CE1-OE1 2.72Å; H926-E933 IonicContact NE2-OE1 2.79Å; H926-K936 HydrophobicContact CB-CB 3.97Å; H926-K936 HydrophobicContact CB-CD 4.47Å; H926-K936 HydrophobicContact CB-CG 3.86Å; H926-K936 VanDerWaalsContact CE1-CE 3.48Å; H926-K936 WeakPolarHBondContact CE1-CE 3.3Å; H926-K936 WeakPolarHBondContact ND1-CD 3.37Å; H926-K936 VanDerWaalsContact ND1-CE 3.31Å; H926-K936 WeakPolarHBondContact ND1-CE 3.47Å |
| 927 | Y | 96.9 | Very high | 96.7 | Very high | 42 Ų | 42 | 42.2 Ų | 42.2 | 17% | 0.165 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 30.9 | -179 | -45.6 | -60.9 | 0 | 0 | 0 | 114 | K936 F939 K940 M980 R981 A984 V985 | Y927-K936 HydrophobicContact CE2-CB 4.47Å; Y927-K936 HydrophobicContact CE2-CG 3.99Å; Y927-F939 HydrophobicContact CD1-CD1 4.5Å; Y927-F939 HydrophobicContact CD2-CB 4.34Å; Y927-F939 AromaticContact CD2-CD1 3.53Å; Y927-F939 HydrophobicContact CD2-CD1 3.53Å; Y927-F939 HydrophobicContact CD2-CE1 4.26Å; Y927-F939 HydrophobicContact CD2-CG 4.3Å; Y927-F939 HydrophobicContact CE2-CD1 4.13Å; Y927-F939 AromaticContact CG-CD1 3.75Å; Y927-F939 HydrophobicContact CG-CD1 3.75Å; Y927-F939 HydrophobicContact CG-CE1 4.02Å; Y927-K940 HydrophobicContact CE2-CB 4.42Å; Y927-K940 WeakPolarHBondContact OH-CB 3.23Å; Y927-M980 WeakPolarHBondContact O-CA 3.46Å; Y927-R981 WeakPolarHBondContact O-CB 3.5Å; Y927-R981 PolarHBondContact O-N 3.46Å; Y927-A984 HydrophobicContact CD1-CB 3.95Å; Y927-A984 WeakPolarHBondContact CD1-O 3.46Å; Y927-A984 WeakPolarHBondContact CE1-O 3.37Å; Y927-V985 HydrophobicContact CD1-CG2 3.7Å; Y927-V985 HydrophobicContact CE1-CB 4.34Å; Y927-V985 HydrophobicContact CE1-CG2 3.67Å; Y927-V985 HydrophobicContact CG-CG2 4.27Å |
| 928 | G | 95 | Very high | 96.7 | Very high | 49 Ų | 49 | 42.6 Ų | 42.6 | 51% | 0.505 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 103.4 | -21.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | H926 | H926-G928 PolarHBondContact O-N 3.05Å; H926-G928 VanDerWaalsContact O-N 3.08Å |
| 929 | V | 96.3 | Very high | 96.7 | Very high | 12 Ų | 12 | 42.6 Ų | 42.6 | 7% | 0.073 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 154.6 | -168.8 | -44.5 | 0 | 0 | 0 | 0 | 112.6 | I917 K925 H926 S931 A978 G979 M980 | I917-V929 HydrophobicContact CD1-CG2 3.71Å; K925-V929 CarbonylContact C-O 3.39Å; K925-V929 VanDerWaalsContact CA-O 3.28Å; K925-V929 WeakPolarHBondContact CA-O 3.4Å; H926-V929 PolarHBondContact N-O 2.87Å; H926-V929 PolarHBondContact O-N 3.4Å; H926-V929 VanDerWaalsContact O-N 3.13Å; V929-S931 PolarHBondContact O-N 2.75Å; V929-A978 WeakPolarHBondContact CG1-O 3.46Å; V929-G979 WeakPolarHBondContact CG1-O 3.21Å; V929-M980 HydrophobicContact CB-CG 4.49Å; V929-M980 HydrophobicContact CG1-CG 4.17Å; V929-M980 HydrophobicContact CG2-CE 3.56Å; V929-M980 HydrophobicContact CG2-CG 3.45Å; V929-M980 VanDerWaalsContact CG2-CG 3.45Å; V929-M980 HydrophobicContact CG2-SD 4.34Å |
| 930 | F | 97.6 | Very high | 96.8 | Very high | 52 Ų | 52 | 43.3 Ų | 43.3 | 23% | 0.228 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 120.4 | 171.2 | -72.4 | -72 | 0 | 0 | 0 | 110.6 | Y913 S916 A922 G924 K925 | Y913-F930 AromaticContact CD1-CD1 3.82Å; Y913-F930 HydrophobicContact CD1-CD1 3.82Å; Y913-F930 HydrophobicContact CD1-CD2 4.09Å; Y913-F930 AromaticContact CD1-CE1 3.44Å; Y913-F930 HydrophobicContact CD1-CE1 3.44Å; Y913-F930 VanDerWaalsContact CD1-CE1 3.44Å; Y913-F930 AromaticContact CD1-CE2 3.72Å; Y913-F930 HydrophobicContact CD1-CE2 3.72Å; Y913-F930 HydrophobicContact CD1-CG 4.13Å; Y913-F930 AromaticContact CD1-CZ 3.37Å; Y913-F930 HydrophobicContact CD1-CZ 3.37Å; Y913-F930 HydrophobicContact CD2-CD1 4.19Å; Y913-F930 AromaticContact CD2-CE1 3.66Å; Y913-F930 HydrophobicContact CD2-CE1 3.66Å; Y913-F930 HydrophobicContact CD2-CZ 4.25Å; Y913-F930 HydrophobicContact CE1-CD1 4.49Å; Y913-F930 AromaticContact CE1-CE1 3.68Å; Y913-F930 HydrophobicContact CE1-CE1 3.68Å; Y913-F930 AromaticContact CE1-CE2 3.76Å; Y913-F930 HydrophobicContact CE1-CE2 3.76Å; Y913-F930 AromaticContact CE1-CZ 3.24Å; Y913-F930 HydrophobicContact CE1-CZ 3.24Å; Y913-F930 AromaticContact CE2-CE1 3.88Å; Y913-F930 HydrophobicContact CE2-CE1 3.88Å; Y913-F930 HydrophobicContact CE2-CZ 4.14Å; Y913-F930 AromaticContact CG-CD1 3.64Å; Y913-F930 HydrophobicContact CG-CD1 3.64Å; Y913-F930 AromaticContact CG-CE1 3.42Å; Y913-F930 HydrophobicContact CG-CE1 3.42Å; Y913-F930 VanDerWaalsContact CG-CE1 3.42Å; Y913-F930 HydrophobicContact CG-CG 4.28Å; Y913-F930 AromaticContact CG-CZ 3.89Å; Y913-F930 HydrophobicContact CG-CZ 3.89Å; Y913-F930 AromaticContact CZ-CE1 3.89Å; Y913-F930 AromaticContact CZ-CZ 3.65Å; S916-F930 PolarHBondContact N-O 2.88Å; S916-F930 PolarHBondContact OG-O 3.15Å; A922-F930 HydrophobicContact CB-CB 4.28Å; G924-F930 WeakPolarHBondContact O-CA 3.35Å; K925-F930 HydrophobicContact CD-CE1 4.37Å; K925-F930 HydrophobicContact CD-CE2 4.44Å; K925-F930 HydrophobicContact CD-CZ 4.17Å; K925-F930 VanDerWaalsContact CE-CE2 3.41Å; K925-F930 HydrophobicContact CG-CD1 3.71Å; K925-F930 HydrophobicContact CG-CD2 4.37Å; K925-F930 HydrophobicContact CG-CE1 3.53Å; K925-F930 HydrophobicContact CG-CE2 4.22Å; K925-F930 HydrophobicContact CG-CG 4.14Å; K925-F930 HydrophobicContact CG-CZ 3.81Å |
| 931 | S | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 159.3 | 179.8 | 61.9 | 0 | 0 | 0 | 0 | 113.7 | C915 A922 S923 G924 H926 V929 M980 | C915-S931 VanDerWaalsContact SG-CA 3.59Å; A922-S931 WeakPolarHBondContact CA-O 3.46Å; A922-S931 WeakPolarHBondContact CB-O 3.49Å; S923-S931 PolarHBondContact N-O 3.01Å; S923-S931 PolarHBondContact OG-O 3.13Å; G924-S931 PolarHBondContact O-N 3.48Å; G924-S931 VanDerWaalsContact O-N 3.08Å; H926-S931 PolarHBondContact CD2-O 3.1Å; H926-S931 PolarHBondContact CD2-OG 2.97Å; V929-S931 PolarHBondContact O-N 2.75Å; S931-M980 WeakPolarHBondContact OG-CE 3.42Å |
| 932 | C | 98.1 | Very high | 96.7 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 3% | 0.027 | 23% | 0.225 | C | C | . | . | trans | -80.3 | 157.6 | 171.1 | 66 | 0 | 0 | 0 | 0 | 110.7 | C915 D920 R921 G934 C935 K936 R964 | C915-C932 HydrophobicContact CB-CB 4.1Å; C915-C932 PolarHBondContact SG-N 3.04Å; C915-C932 VanDerWaalsContact SG-N 3.36Å; D920-C932 HydrophobicContact CB-CB 4.1Å; R921-C932 WeakPolarHBondContact O-CB 3.38Å; C932-G934 PolarHBondContact O-N 3.43Å; C932-C935 PolarHBondContact O-N 2.81Å; C932-K936 PolarHBondContact O-N 3.04Å; C932-K936 VanDerWaalsContact O-N 3.08Å; C932-R964 PolarHBondContact SG-NH1 3.41Å | ||
| 933 | E | 97.1 | Very high | 96.6 | Very high | 96 Ų | 96 | 42.6 Ų | 42.6 | 45% | 0.449 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -49.8 | -36.1 | 174.8 | -67.2 | -58.9 | 118.5 | 0 | 0 | 113 | S923 H926 C935 K936 G937 | S923-E933 WeakPolarHBondContact CB-OE1 3.32Å; S923-E933 PolarHBondContact OG-OE1 3.22Å; H926-E933 IonicContact CE1-OE1 2.72Å; H926-E933 IonicContact NE2-OE1 2.79Å; E933-C935 PolarHBondContact O-N 2.93Å; E933-K936 WeakPolarHBondContact OE1-CD 3.46Å; E933-K936 IonicContact OE1-NZ 2.67Å; E933-K936 PolarHBondContact OE1-NZ 3.33Å; E933-K936 VanDerWaalsContact OE2-CD 3.23Å; E933-K936 WeakPolarHBondContact OE2-CD 3.26Å; E933-K936 WeakPolarHBondContact OE2-CE 3.47Å; E933-K936 IonicContact OE2-NZ 3.95Å; E933-K936 PolarHBondContact OE2-NZ 2.83Å; E933-G937 PolarHBondContact O-N 2.88Å |
| 934 | G | 97.4 | Very high | 96.4 | Very high | 29 Ų | 29 | 42.8 Ų | 42.8 | 30% | 0.299 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.9 | -32.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115 | C932 F938 R971 | C932-G934 PolarHBondContact O-N 3.43Å; G934-F938 VanDerWaalsContact O-CB 3.31Å; G934-F938 WeakPolarHBondContact O-CB 3.41Å; G934-F938 PolarHBondContact O-N 3.23Å; G934-R971 PolarHBondContact O-NH2 3.44Å |
| 935 | C | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -90.1 | -37.6 | 177.5 | -72.3 | 0 | 0 | 0 | 0 | 111.9 | I917 C918 C932 E933 F938 F939 | I917-C935 HydrophobicContact CB-CB 4.37Å; I917-C935 HydrophobicContact CG2-CB 4.49Å; C918-C935 PolarHBondContact SG-SG 3.13Å; C932-C935 PolarHBondContact O-N 2.81Å; E933-C935 PolarHBondContact O-N 2.93Å; C935-F938 PolarHBondContact O-N 3.24Å; C935-F939 WeakPolarHBondContact O-CB 3.26Å; C935-F939 PolarHBondContact O-N 3.44Å |
| 936 | K | 97.7 | Very high | 95.9 | Very high | 56 Ų | 56 | 50 Ų | 50 | 24% | 0.243 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -50.5 | -56.4 | 166.1 | 172.4 | -159 | -169.1 | -178 | 0 | 111.7 | H926 Y927 C932 E933 F938 F939 K940 | H926-K936 HydrophobicContact CB-CB 3.97Å; H926-K936 HydrophobicContact CB-CD 4.47Å; H926-K936 HydrophobicContact CB-CG 3.86Å; H926-K936 VanDerWaalsContact CE1-CE 3.48Å; H926-K936 WeakPolarHBondContact CE1-CE 3.3Å; H926-K936 WeakPolarHBondContact ND1-CD 3.37Å; H926-K936 VanDerWaalsContact ND1-CE 3.31Å; H926-K936 WeakPolarHBondContact ND1-CE 3.47Å; Y927-K936 HydrophobicContact CE2-CB 4.47Å; Y927-K936 HydrophobicContact CE2-CG 3.99Å; C932-K936 PolarHBondContact O-N 3.04Å; C932-K936 VanDerWaalsContact O-N 3.08Å; E933-K936 WeakPolarHBondContact OE1-CD 3.46Å; E933-K936 IonicContact OE1-NZ 2.67Å; E933-K936 PolarHBondContact OE1-NZ 3.33Å; E933-K936 VanDerWaalsContact OE2-CD 3.23Å; E933-K936 WeakPolarHBondContact OE2-CD 3.26Å; E933-K936 WeakPolarHBondContact OE2-CE 3.47Å; E933-K936 IonicContact OE2-NZ 3.95Å; E933-K936 PolarHBondContact OE2-NZ 2.83Å; K936-F938 VanDerWaalsContact C-N 3.33Å; K936-F938 PolarHBondContact O-N 3.25Å; K936-F939 PolarHBondContact O-N 3.25Å; K936-K940 WeakPolarHBondContact O-CB 3.3Å; K936-K940 PolarHBondContact O-N 3.49Å |
| 937 | G | 97.1 | Very high | 95.7 | Very high | 20 Ų | 20 | 51.8 Ų | 51.8 | 21% | 0.206 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.3 | -30.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E933 R941 | E933-G937 PolarHBondContact O-N 2.88Å; G937-R941 WeakPolarHBondContact O-CG 3.37Å; G937-R941 VanDerWaalsContact O-CZ 3.29Å; G937-R941 PolarHBondContact O-N 2.9Å; G937-R941 PolarHBondContact O-NH1 2.79Å |
| 938 | F | 98.3 | Very high | 95.3 | Very high | 8 Ų | 8 | 56.2 Ų | 56.2 | 4% | 0.035 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.9 | -57 | 171 | 170.4 | -99.5 | 0 | 0 | 0 | 111 | G934 C935 K936 K940 R941 T942 Y949 Q968 R971 Y972 | G934-F938 VanDerWaalsContact O-CB 3.31Å; G934-F938 WeakPolarHBondContact O-CB 3.41Å; G934-F938 PolarHBondContact O-N 3.23Å; C935-F938 PolarHBondContact O-N 3.24Å; K936-F938 VanDerWaalsContact C-N 3.33Å; K936-F938 PolarHBondContact O-N 3.25Å; F938-K940 VanDerWaalsContact C-N 3.33Å; F938-K940 PolarHBondContact O-N 3.24Å; F938-R941 PolarHBondContact O-N 3.1Å; F938-T942 PolarHBondContact O-N 3.37Å; F938-T942 PolarHBondContact O-OG1 3.31Å; F938-T942 VanDerWaalsContact O-OG1 3.08Å; F938-Y949 AromaticContact CE2-CE2 3.81Å; F938-Y949 HydrophobicContact CE2-CE2 3.81Å; F938-Y949 HydrophobicContact CZ-CD2 4.25Å; F938-Y949 AromaticContact CZ-CE2 3.53Å; F938-Y949 HydrophobicContact CZ-CE2 3.53Å; F938-Q968 HydrophobicContact CE2-CB 4.1Å; F938-Q968 HydrophobicContact CE2-CG 4.15Å; F938-Q968 HydrophobicContact CZ-CB 4.28Å; F938-Q968 WeakPolarHBondContact CZ-O 3.37Å; F938-R971 HydrophobicContact CD1-CG 3.99Å; F938-R971 HydrophobicContact CE1-CB 4.07Å; F938-R971 HydrophobicContact CE1-CG 3.78Å; F938-R971 HydrophobicContact CZ-CB 4.16Å; F938-R971 HydrophobicContact CZ-CG 4.24Å; F938-Y972 HydrophobicContact CE1-CD2 4.37Å |
| 939 | F | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.8 | -42.5 | -179.5 | -169.4 | -96.9 | 0 | 0 | 0 | 112.3 | Y927 C935 K936 R941 T942 V943 Y972 C975 L976 M980 R981 R982 V985 | Y927-F939 HydrophobicContact CD1-CD1 4.5Å; Y927-F939 HydrophobicContact CD2-CB 4.34Å; Y927-F939 AromaticContact CD2-CD1 3.53Å; Y927-F939 HydrophobicContact CD2-CD1 3.53Å; Y927-F939 HydrophobicContact CD2-CE1 4.26Å; Y927-F939 HydrophobicContact CD2-CG 4.3Å; Y927-F939 HydrophobicContact CE2-CD1 4.13Å; Y927-F939 AromaticContact CG-CD1 3.75Å; Y927-F939 HydrophobicContact CG-CD1 3.75Å; Y927-F939 HydrophobicContact CG-CE1 4.02Å; C935-F939 WeakPolarHBondContact O-CB 3.26Å; C935-F939 PolarHBondContact O-N 3.44Å; K936-F939 PolarHBondContact O-N 3.25Å; F939-R941 VanDerWaalsContact C-N 3.28Å; F939-R941 PolarHBondContact O-N 2.87Å; F939-T942 PolarHBondContact O-N 2.89Å; F939-V943 HydrophobicContact CD1-CG2 4.15Å; F939-V943 HydrophobicContact CE1-CG2 3.84Å; F939-V943 HydrophobicContact CE2-CG2 4.29Å; F939-V943 HydrophobicContact CZ-CG2 3.91Å; F939-V943 WeakPolarHBondContact O-CG2 3.1Å; F939-V943 PolarHBondContact O-N 3.07Å; F939-Y972 AromaticContact CD2-CD2 3.96Å; F939-Y972 HydrophobicContact CD2-CD2 3.96Å; F939-Y972 AromaticContact CD2-CE2 3.74Å; F939-Y972 HydrophobicContact CD2-CE2 3.74Å; F939-Y972 HydrophobicContact CE2-CD2 4.16Å; F939-Y972 AromaticContact CE2-CE2 3.61Å; F939-Y972 HydrophobicContact CE2-CE2 3.61Å; F939-C975 HydrophobicContact CD2-CB 3.73Å; F939-C975 HydrophobicContact CE2-CB 4.17Å; F939-L976 HydrophobicContact CE2-CD2 3.95Å; F939-L976 HydrophobicContact CZ-CD2 4.37Å; F939-M980 HydrophobicContact CB-SD 3.71Å; F939-M980 HydrophobicContact CD1-CB 4.33Å; F939-M980 HydrophobicContact CD1-SD 4.19Å; F939-M980 HydrophobicContact CD2-CB 3.84Å; F939-M980 HydrophobicContact CD2-CG 4.42Å; F939-M980 HydrophobicContact CD2-SD 3.72Å; F939-M980 HydrophobicContact CE1-CB 4.01Å; F939-M980 HydrophobicContact CE2-CB 3.49Å; F939-M980 VanDerWaalsContact CE2-CB 3.49Å; F939-M980 HydrophobicContact CE2-SD 4.37Å; F939-M980 HydrophobicContact CG-CB 4.25Å; F939-M980 HydrophobicContact CG-SD 3.61Å; F939-M980 HydrophobicContact CZ-CB 3.58Å; F939-M980 WeakPolarHBondContact CZ-O 3.45Å; F939-R981 WeakPolarHBondContact CE1-O 3.26Å; F939-R982 HydrophobicContact CZ-CB 4.48Å; F939-R982 HydrophobicContact CZ-CG 3.86Å; F939-V985 HydrophobicContact CD1-CG2 3.8Å; F939-V985 HydrophobicContact CE1-CG2 3.67Å |
| 940 | K | 96 | Very high | 95.2 | Very high | 82 Ų | 82 | 62.2 Ų | 62.2 | 36% | 0.357 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -53.8 | -43.4 | 174.6 | -170.6 | -171 | 174.6 | -169.5 | 0 | 112.1 | Y927 K936 F938 R944 V985 | Y927-K940 HydrophobicContact CE2-CB 4.42Å; Y927-K940 WeakPolarHBondContact OH-CB 3.23Å; K936-K940 WeakPolarHBondContact O-CB 3.3Å; K936-K940 PolarHBondContact O-N 3.49Å; F938-K940 VanDerWaalsContact C-N 3.33Å; F938-K940 PolarHBondContact O-N 3.24Å; K940-R944 VanDerWaalsContact O-CB 3.27Å; K940-R944 WeakPolarHBondContact O-CB 3.42Å; K940-R944 WeakPolarHBondContact O-CG 2.93Å; K940-R944 PolarHBondContact O-N 3.38Å; K940-R944 VanDerWaalsContact O-N 3.14Å; K940-V985 HydrophobicContact CG-CG1 4.37Å |
| 941 | R | 95.4 | Very high | 95.1 | Very high | 154 Ų | 154 | 60.7 Ų | 60.7 | 58% | 0.581 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -75.6 | -40.1 | -179.7 | -72.9 | -173 | -59.4 | -97 | 2.4 | 112.5 | G937 F938 F939 K945 | G937-R941 WeakPolarHBondContact O-CG 3.37Å; G937-R941 VanDerWaalsContact O-CZ 3.29Å; G937-R941 PolarHBondContact O-N 2.9Å; G937-R941 PolarHBondContact O-NH1 2.79Å; F938-R941 PolarHBondContact O-N 3.1Å; F939-R941 VanDerWaalsContact C-N 3.28Å; F939-R941 PolarHBondContact O-N 2.87Å; R941-K945 PolarHBondContact O-N 2.94Å |
| 942 | T | 96.3 | Very high | 95 | Very high | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.006 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60 | -46.4 | 177.7 | -51.2 | 0 | 0 | 0 | 0 | 111.1 | F938 F939 E946 L947 Y949 Y972 | F938-T942 PolarHBondContact O-N 3.37Å; F938-T942 PolarHBondContact O-OG1 3.31Å; F938-T942 VanDerWaalsContact O-OG1 3.08Å; F939-T942 PolarHBondContact O-N 2.89Å; T942-E946 WeakPolarHBondContact O-CA 3.3Å; T942-E946 PolarHBondContact O-N 3Å; T942-E946 VanDerWaalsContact O-N 3.16Å; T942-L947 HydrophobicContact CG2-CB 4.31Å; T942-L947 WeakPolarHBondContact CG2-O 3.38Å; T942-L947 PolarHBondContact O-N 3.35Å; T942-Y949 HydrophobicContact CG2-CD2 4.29Å; T942-Y949 HydrophobicContact CG2-CE2 3.46Å; T942-Y949 VanDerWaalsContact CG2-CE2 3.46Å; T942-Y949 WeakPolarHBondContact OG1-CE2 3.44Å; T942-Y949 PolarHBondContact OG1-OH 3.5Å; T942-Y972 HydrophobicContact CG2-CD1 4.02Å; T942-Y972 HydrophobicContact CG2-CD2 3.67Å; T942-Y972 HydrophobicContact CG2-CE1 3.89Å; T942-Y972 HydrophobicContact CG2-CE2 3.55Å; T942-Y972 HydrophobicContact CG2-CG 3.91Å |
| 943 | V | 94.7 | Very high | 94.7 | Very high | 29 Ų | 29 | 75.7 Ų | 75.7 | 18% | 0.176 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -73.4 | -43.8 | -179.5 | 179.9 | 0 | 0 | 0 | 0 | 112.1 | F939 K945 E946 Y972 R982 V985 | F939-V943 HydrophobicContact CD1-CG2 4.15Å; F939-V943 HydrophobicContact CE1-CG2 3.84Å; F939-V943 HydrophobicContact CE2-CG2 4.29Å; F939-V943 HydrophobicContact CZ-CG2 3.91Å; F939-V943 WeakPolarHBondContact O-CG2 3.1Å; F939-V943 PolarHBondContact O-N 3.07Å; V943-K945 PolarHBondContact O-N 2.86Å; V943-E946 PolarHBondContact O-N 2.73Å; V943-Y972 HydrophobicContact CG2-CE2 4.39Å; V943-R982 HydrophobicContact CG1-CB 4.43Å; V943-R982 HydrophobicContact CG2-CB 4.37Å; V943-R982 HydrophobicContact CG2-CG 4.07Å; V943-V985 HydrophobicContact CB-CB 4.19Å; V943-V985 HydrophobicContact CB-CG1 4.2Å; V943-V985 HydrophobicContact CB-CG2 3.98Å; V943-V985 HydrophobicContact CG1-CB 3.86Å; V943-V985 HydrophobicContact CG1-CG1 4.16Å; V943-V985 HydrophobicContact CG1-CG2 4.04Å; V943-V985 HydrophobicContact CG2-CG2 4.14Å |
| 944 | R | 90.7 | Very high | 94.5 | Very high | 69 Ų | 69 | 75.1 Ų | 75.1 | 26% | 0.26 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.7 | -28.9 | 178.9 | -94.8 | 179.8 | 160.9 | 49.4 | 10 | 115.5 | K940 V985 Q986 E987 E988 | K940-R944 VanDerWaalsContact O-CB 3.27Å; K940-R944 WeakPolarHBondContact O-CB 3.42Å; K940-R944 WeakPolarHBondContact O-CG 2.93Å; K940-R944 PolarHBondContact O-N 3.38Å; K940-R944 VanDerWaalsContact O-N 3.14Å; R944-V985 HydrophobicContact CG-CG1 4.42Å; R944-Q986 VanDerWaalsContact CZ-O 3.27Å; R944-Q986 PolarHBondContact NH1-O 2.93Å; R944-Q986 PolarHBondContact NH2-O 3.17Å; R944-E987 PolarHBondContact NH2-O 3.23Å; R944-E988 IonicContact CZ-OE1 3.38Å; R944-E988 IonicContact NE-OE1 3.18Å; R944-E988 PolarHBondContact NE-OE1 3.42Å; R944-E988 IonicContact NE-OE2 3.2Å; R944-E988 PolarHBondContact NE-OE2 3.24Å; R944-E988 IonicContact NH2-OE1 2.78Å; R944-E988 PolarHBondContact NH2-OE1 3.12Å |
| 945 | K | 89.5 | Confident | 94.3 | Very high | 160 Ų | 160 | 79.2 Ų | 79.2 | 70% | 0.696 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | 14.6 | -175.5 | -68.1 | -163.7 | 170.3 | -146.8 | 0 | 112 | R941 V943 L947 | R941-K945 PolarHBondContact O-N 2.94Å; V943-K945 PolarHBondContact O-N 2.86Å; K945-L947 HydrophobicContact CB-CD1 4.1Å; K945-L947 HydrophobicContact CB-CD2 3.95Å; K945-L947 HydrophobicContact CB-CG 3.7Å; K945-L947 WeakPolarHBondContact O-CD2 3.2Å; K945-L947 WeakPolarHBondContact O-CG 3.39Å; K945-L947 PolarHBondContact O-N 3.4Å |
| 946 | E | 88.5 | Confident | 94.1 | Very high | 156 Ų | 156 | 86.1 Ų | 86.1 | 73% | 0.729 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.2 | 41 | 180 | -53.9 | -159 | 138.3 | 0 | 0 | 114.2 | T942 V943 T948 | T942-E946 WeakPolarHBondContact O-CA 3.3Å; T942-E946 PolarHBondContact O-N 3Å; T942-E946 VanDerWaalsContact O-N 3.16Å; V943-E946 PolarHBondContact O-N 2.73Å; E946-T948 PolarHBondContact O-N 3.2Å; E946-T948 VanDerWaalsContact O-N 3.09Å |
| 947 | L | 92.5 | Very high | 94.1 | Very high | 69 Ų | 69 | 84.3 Ų | 84.3 | 36% | 0.361 | 41% | 0.407 | S | S | . | . | trans | -76.1 | 104.4 | -168.2 | -62.8 | 174.9 | 0 | 0 | 0 | 111.6 | T942 K945 Y949 | T942-L947 HydrophobicContact CG2-CB 4.31Å; T942-L947 WeakPolarHBondContact CG2-O 3.38Å; T942-L947 PolarHBondContact O-N 3.35Å; K945-L947 HydrophobicContact CB-CD1 4.1Å; K945-L947 HydrophobicContact CB-CD2 3.95Å; K945-L947 HydrophobicContact CB-CG 3.7Å; K945-L947 WeakPolarHBondContact O-CD2 3.2Å; K945-L947 WeakPolarHBondContact O-CG 3.39Å; K945-L947 PolarHBondContact O-N 3.4Å; L947-Y949 HydrophobicContact CB-CE1 3.84Å; L947-Y949 HydrophobicContact CD1-CE1 4.33Å | ||
| 948 | T | 89.7 | Confident | 94 | Very high | 134 Ų | 134 | 89.8 Ų | 89.8 | 82% | 0.822 | 43% | 0.427 | S | S | * | . | trans | -70.9 | 129.1 | 163.7 | -62.7 | 0 | 0 | 0 | 0 | 110 | E946 | E946-T948 PolarHBondContact O-N 3.2Å; E946-T948 VanDerWaalsContact O-N 3.09Å | ||
| 949 | Y | 94.7 | Very high | 93.9 | Very high | 34 Ų | 34 | 89.6 Ų | 89.6 | 13% | 0.133 | 43% | 0.426 | C | S | . | . | trans | -109.1 | 154.3 | 174.5 | -58.6 | -50.8 | 0 | 0 | 0 | 110.4 | F938 T942 L947 Q968 Y969 | F938-Y949 AromaticContact CE2-CE2 3.81Å; F938-Y949 HydrophobicContact CE2-CE2 3.81Å; F938-Y949 HydrophobicContact CZ-CD2 4.25Å; F938-Y949 AromaticContact CZ-CE2 3.53Å; F938-Y949 HydrophobicContact CZ-CE2 3.53Å; T942-Y949 HydrophobicContact CG2-CD2 4.29Å; T942-Y949 HydrophobicContact CG2-CE2 3.46Å; T942-Y949 VanDerWaalsContact CG2-CE2 3.46Å; T942-Y949 WeakPolarHBondContact OG1-CE2 3.44Å; T942-Y949 PolarHBondContact OG1-OH 3.5Å; L947-Y949 HydrophobicContact CB-CE1 3.84Å; L947-Y949 HydrophobicContact CD1-CE1 4.33Å; Y949-Q968 HydrophobicContact CD1-CB 3.87Å; Y949-Q968 HydrophobicContact CD2-CB 3.76Å; Y949-Q968 HydrophobicContact CE1-CB 4.1Å; Y949-Q968 HydrophobicContact CE2-CB 3.97Å; Y949-Q968 HydrophobicContact CG-CB 3.71Å; Y949-Y969 VanDerWaalsContact O-CD2 3.25Å; Y949-Y969 WeakPolarHBondContact O-CD2 3.48Å | ||
| 950 | I | 93.3 | Very high | 93.8 | Very high | 153 Ų | 153 | 92.8 Ų | 92.8 | 79% | 0.785 | 44% | 0.443 | S | S | * | . | trans | -115.2 | 141 | 172.2 | -59.9 | 175.1 | 0 | 0 | 0 | 108.2 | ||||
| 951 | C | 97.1 | Very high | 93.8 | Very high | 21 Ų | 21 | 94.5 Ų | 94.5 | 14% | 0.142 | 45% | 0.45 | C | S | . | . | trans | -85.3 | 141.2 | 172.3 | -165 | 0 | 0 | 0 | 0 | 110.7 | D953 Q955 C967 Y969 | C951-D953 PolarHBondContact SG-N 3.39Å; C951-D953 PolarHBondContact SG-O 3.19Å; C951-Q955 HydrophobicContact CB-CG 3.97Å; C951-C967 VanDerWaalsContact SG-SG 3.62Å; C951-Y969 HydrophobicContact CB-CD1 3.75Å; C951-Y969 HydrophobicContact CB-CE1 4.49Å; C951-Y969 HydrophobicContact CB-CG 4.03Å | ||
| 952 | R | 93.9 | Very high | 93.8 | Very high | 244 Ų | 244 | 98.4 Ų | 98.4 | 92% | 0.921 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -95.5 | -11.7 | 173.5 | -63.2 | -176 | -179.6 | -177.2 | -1.5 | 113.6 | ||
| 953 | D | 92.5 | Very high | 93.7 | Very high | 75 Ų | 75 | 102.7 Ų | 102.7 | 40% | 0.401 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -116.5 | -171 | 176.7 | -38.5 | -47.2 | 0 | 0 | 0 | 109 | C951 Q955 C957 | C951-D953 PolarHBondContact SG-N 3.39Å; C951-D953 PolarHBondContact SG-O 3.19Å; D953-Q955 PolarHBondContact O-N 2.96Å; D953-C957 PolarHBondContact OD2-SG 3.16Å |
| 954 | S | 92.7 | Very high | 93.7 | Very high | 84 Ų | 84 | 103.4 Ų | 103.4 | 59% | 0.587 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -64.5 | 23.6 | -175.6 | 65.1 | 0 | 0 | 0 | 0 | 117.8 | E956 | S954-E956 PolarHBondContact O-N 2.91Å; S954-E956 VanDerWaalsContact O-N 3.1Å; S954-E956 PolarHBondContact OG-OE2 2.8Å |
| 955 | Q | 93.4 | Very high | 94 | Very high | 114 Ų | 114 | 105.9 Ų | 105.9 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | S | Bend | trans | 63.1 | 3.8 | -171.4 | -57.8 | -171.4 | 18.7 | 0 | 0 | 115.7 | C951 D953 Y969 C970 | C951-Q955 HydrophobicContact CB-CG 3.97Å; D953-Q955 PolarHBondContact O-N 2.96Å; Q955-Y969 HydrophobicContact CB-CD1 4.44Å; Q955-Y969 HydrophobicContact CB-CE1 3.86Å; Q955-Y969 HydrophobicContact CG-CD1 4.36Å; Q955-Y969 HydrophobicContact CG-CE1 3.78Å; Q955-Y969 PolarHBondContact OE1-OH 3.22Å; Q955-C970 PolarHBondContact O-SG 3.37Å |
| 956 | E | 94.8 | Very high | 94.3 | Very high | 145 Ų | 145 | 106.9 Ų | 106.9 | 68% | 0.678 | 51% | 0.505 | S | S | * | . | trans | -107.9 | 6.7 | -174.8 | -65.6 | 176.6 | 126.5 | 0 | 0 | 115.2 | S954 Q958 | S954-E956 PolarHBondContact O-N 2.91Å; S954-E956 VanDerWaalsContact O-N 3.1Å; S954-E956 PolarHBondContact OG-OE2 2.8Å; E956-Q958 PolarHBondContact O-N 2.79Å | ||
| 957 | C | 96.7 | Very high | 94.7 | Very high | 19 Ų | 19 | 99.9 Ų | 99.9 | 13% | 0.128 | 47% | 0.473 | C | S | . | . | trans | -44.7 | 127.2 | -174.1 | -42.8 | 0 | 0 | 0 | 0 | 113.5 | D953 I959 C967 C970 | D953-C957 PolarHBondContact OD2-SG 3.16Å; C957-I959 WeakPolarHBondContact O-CG1 3.41Å; C957-I959 PolarHBondContact O-N 2.85Å; C957-C967 HydrophobicContact CB-CB 3.77Å; C957-C967 VanDerWaalsContact SG-CB 3.52Å; C957-C970 HydrophobicContact CB-CB 3.82Å; C957-C970 PolarHBondContact SG-SG 3.35Å | ||
| 958 | Q | 95 | Very high | 95 | Very high | 135 Ų | 135 | 101.6 Ų | 101.6 | 63% | 0.631 | 48% | 0.479 | S | S | * | . | trans | -63.7 | 133.7 | -179.9 | -67.7 | -64.1 | -12.4 | 0 | 0 | 112.6 | E956 | E956-Q958 PolarHBondContact O-N 2.79Š| ||
| 959 | I | 97.2 | Very high | 95.3 | Very high | 3 Ų | 3 | 97.5 Ų | 97.5 | 2% | 0.015 | 45% | 0.449 | C | S | . | . | trans | -120.5 | 96.9 | -173.7 | -54.7 | -58.8 | 0 | 0 | 0 | 110 | I917 C918 C957 R964 C970 R971 K974 | I917-I959 HydrophobicContact CG2-CG2 4.05Å; I917-I959 WeakPolarHBondContact O-CG2 3.3Å; I917-I959 VanDerWaalsContact O-O 3.11Å; C918-I959 HydrophobicContact CB-CG2 4.03Å; C957-I959 WeakPolarHBondContact O-CG1 3.41Å; C957-I959 PolarHBondContact O-N 2.85Å; I959-R964 HydrophobicContact CG2-CB 4.01Å; I959-C970 HydrophobicContact CD1-CB 4.02Å; I959-C970 HydrophobicContact CG1-CB 4.33Å; I959-R971 HydrophobicContact CD1-CB 4.03Å; I959-R971 HydrophobicContact CG2-CB 4.45Å; I959-R971 HydrophobicContact CG2-CG 4.2Å; I959-K974 HydrophobicContact CB-CD 3.7Å; I959-K974 HydrophobicContact CG1-CD 4.12Å; I959-K974 HydrophobicContact CG2-CD 4.12Å; I959-K974 PolarHBondContact O-NZ 3.16Å | ||
| 960 | D | 95.7 | Very high | 95.5 | Very high | 67 Ų | 67 | 95.9 Ų | 95.9 | 36% | 0.358 | 44% | 0.443 | S | S | . | . | trans | -126.4 | 173.1 | 177 | -74.4 | -59.3 | 0 | 0 | 0 | 112 | C918 S919 R962 L963 R964 | C918-D960 CarbonylContact O-C 3.59Å; S919-D960 PolarHBondContact OG-OD1 2.97Å; D960-R962 PolarHBondContact O-N 3.36Å; D960-L963 PolarHBondContact O-N 3.06Å; D960-L963 VanDerWaalsContact O-N 3.07Å; D960-R964 VanDerWaalsContact O-CB 3.24Å; D960-R964 WeakPolarHBondContact O-CB 3.47Å; D960-R964 PolarHBondContact O-N 3.37Å | ||
| 961 | K | 95.8 | Very high | 95.7 | Very high | 118 Ų | 118 | 89.2 Ų | 89.2 | 51% | 0.513 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | -40.4 | -177.6 | -179.7 | 171.2 | -178.5 | 152.4 | 0 | 113.6 | C918 D920 R964 | C918-K961 WeakPolarHBondContact O-CA 3.25Å; C918-K961 PolarHBondContact O-N 3.33Å; D920-K961 HydrophobicContact CB-CB 4.2Å; D920-K961 HydrophobicContact CB-CD 4.07Å; D920-K961 HydrophobicContact CB-CG 4.04Å; D920-K961 WeakPolarHBondContact OD1-CD 3.29Å; D920-K961 WeakPolarHBondContact OD1-CE 3.34Å; D920-K961 IonicContact OD1-NZ 2.71Å; D920-K961 PolarHBondContact OD1-NZ 2.8Å; K961-R964 PolarHBondContact O-NE 2.94Å |
| 962 | R | 95.5 | Very high | 95.8 | Very high | 236 Ų | 236 | 90 Ų | 90 | 89% | 0.891 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -50.1 | 175.7 | -66.9 | 177.7 | 175.2 | 164.3 | -3.3 | 112.3 | D960 | D960-R962 PolarHBondContact O-N 3.36Š|
| 963 | L | 94 | Very high | 96 | Very high | 92 Ų | 92 | 81.2 Ų | 81.2 | 48% | 0.482 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -88.2 | -7.1 | -168.7 | -61.4 | -179.6 | 0 | 0 | 0 | 115.3 | D960 N965 R966 | D960-L963 PolarHBondContact O-N 3.06Å; D960-L963 VanDerWaalsContact O-N 3.07Å; L963-N965 PolarHBondContact O-N 3.1Å; L963-R966 WeakPolarHBondContact O-CB 3.15Å; L963-R966 PolarHBondContact O-N 3.44Å |
| 964 | R | 95.7 | Very high | 96.2 | Very high | 44 Ų | 44 | 80.5 Ų | 80.5 | 17% | 0.166 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -55.1 | -17 | -178.2 | 64 | -175.1 | -179.1 | -161.7 | -5.1 | 115.9 | C918 D920 C932 I959 D960 K961 R971 | C918-R964 HydrophobicContact CB-CB 3.96Å; C918-R964 VanDerWaalsContact SG-CD 3.56Å; C918-R964 PolarHBondContact SG-NH1 3.38Å; D920-R964 IonicContact OD2-CZ 3.64Å; D920-R964 IonicContact OD2-NH1 3.83Å; D920-R964 PolarHBondContact OD2-NH1 3.32Å; D920-R964 IonicContact OD2-NH2 2.7Å; D920-R964 PolarHBondContact OD2-NH2 3.09Å; C932-R964 PolarHBondContact SG-NH1 3.41Å; I959-R964 HydrophobicContact CG2-CB 4.01Å; D960-R964 VanDerWaalsContact O-CB 3.24Å; D960-R964 WeakPolarHBondContact O-CB 3.47Å; D960-R964 PolarHBondContact O-N 3.37Å; K961-R964 PolarHBondContact O-NE 2.94Å; R964-R971 VanDerWaalsContact O-CD 3.3Å; R964-R971 WeakPolarHBondContact O-CD 3.39Å; R964-R971 PolarHBondContact O-NH1 2.76Å |
| 965 | N | 96.2 | Very high | 96.5 | Very high | 120 Ų | 120 | 76.5 Ų | 76.5 | 64% | 0.642 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -93 | -9.2 | 175.8 | -69.1 | -1.4 | 0 | 0 | 0 | 113.4 | L963 R971 | L963-N965 PolarHBondContact O-N 3.1Å; N965-R971 PolarHBondContact OD1-NH1 2.74Å |
| 966 | R | 95.1 | Very high | 96.7 | Very high | 182 Ų | 182 | 73 Ų | 73 | 69% | 0.687 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -64.7 | -42.9 | -176.8 | 172.9 | 61.7 | -177.6 | -152.3 | 0.2 | 113.2 | L963 | L963-R966 WeakPolarHBondContact O-CB 3.15Å; L963-R966 PolarHBondContact O-N 3.44Å |
| 967 | C | 97.7 | Very high | 96.8 | Very high | 9 Ų | 9 | 75 Ų | 75 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | trans | -137.1 | 118 | 178.7 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | C951 C957 C970 R971 | C951-C967 VanDerWaalsContact SG-SG 3.62Å; C957-C967 HydrophobicContact CB-CB 3.77Å; C957-C967 VanDerWaalsContact SG-CB 3.52Å; C967-C970 HydrophobicContact CB-CB 4.22Å; C967-C970 PolarHBondContact SG-N 3Å; C967-C970 VanDerWaalsContact SG-N 3.41Å; C967-C970 PolarHBondContact SG-SG 2.8Å; C967-R971 WeakPolarHBondContact O-CB 3.25Å; C967-R971 PolarHBondContact O-N 3.28Å | ||
| 968 | Q | 97.4 | Very high | 96.8 | Very high | 105 Ų | 105 | 75.9 Ų | 75.9 | 49% | 0.491 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -72.8 | -38.1 | 179.3 | -66.4 | 178.2 | -17.8 | 0 | 0 | 111.8 | F938 Y949 R971 Y972 | F938-Q968 HydrophobicContact CE2-CB 4.1Å; F938-Q968 HydrophobicContact CE2-CG 4.15Å; F938-Q968 HydrophobicContact CZ-CB 4.28Å; F938-Q968 WeakPolarHBondContact CZ-O 3.37Å; Y949-Q968 HydrophobicContact CD1-CB 3.87Å; Y949-Q968 HydrophobicContact CD2-CB 3.76Å; Y949-Q968 HydrophobicContact CE1-CB 4.1Å; Y949-Q968 HydrophobicContact CE2-CB 3.97Å; Y949-Q968 HydrophobicContact CG-CB 3.71Å; Q968-R971 PolarHBondContact O-N 3.31Å; Q968-Y972 WeakPolarHBondContact O-CB 3.3Å; Q968-Y972 PolarHBondContact O-N 3.13Å |
| 969 | Y | 98 | Very high | 96.9 | Very high | 47 Ų | 47 | 71.3 Ų | 71.3 | 18% | 0.184 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.3 | -59 | 175.3 | 178.4 | -91 | 0 | 0 | 0 | 111.7 | Y949 C951 Q955 R971 Y972 Q973 | Y949-Y969 VanDerWaalsContact O-CD2 3.25Å; Y949-Y969 WeakPolarHBondContact O-CD2 3.48Å; C951-Y969 HydrophobicContact CB-CD1 3.75Å; C951-Y969 HydrophobicContact CB-CE1 4.49Å; C951-Y969 HydrophobicContact CB-CG 4.03Å; Q955-Y969 HydrophobicContact CB-CD1 4.44Å; Q955-Y969 HydrophobicContact CB-CE1 3.86Å; Q955-Y969 HydrophobicContact CG-CD1 4.36Å; Q955-Y969 HydrophobicContact CG-CE1 3.78Å; Q955-Y969 PolarHBondContact OE1-OH 3.22Å; Y969-R971 VanDerWaalsContact C-N 3.25Å; Y969-R971 PolarHBondContact O-N 2.89Å; Y969-Y972 PolarHBondContact O-N 3.47Å; Y969-Q973 HydrophobicContact CD1-CG 4.03Å; Y969-Q973 HydrophobicContact CD2-CG 4.45Å; Y969-Q973 HydrophobicContact CE1-CG 3.56Å; Y969-Q973 HydrophobicContact CE2-CG 4.09Å; Y969-Q973 HydrophobicContact CG-CG 4.44Å; Y969-Q973 WeakPolarHBondContact O-CG 3.43Å; Y969-Q973 PolarHBondContact O-N 3.35Å; Y969-Q973 PolarHBondContact OH-NE2 2.87Å |
| 970 | C | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.007 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.4 | -34 | -177.2 | -59.3 | 0 | 0 | 0 | 0 | 112.2 | Q955 C957 I959 C967 K974 | Q955-C970 PolarHBondContact O-SG 3.37Å; C957-C970 HydrophobicContact CB-CB 3.82Å; C957-C970 PolarHBondContact SG-SG 3.35Å; I959-C970 HydrophobicContact CD1-CB 4.02Å; I959-C970 HydrophobicContact CG1-CB 4.33Å; C967-C970 HydrophobicContact CB-CB 4.22Å; C967-C970 PolarHBondContact SG-N 3Å; C967-C970 VanDerWaalsContact SG-N 3.41Å; C967-C970 PolarHBondContact SG-SG 2.8Å; C970-K974 VanDerWaalsContact O-CB 3.28Å; C970-K974 WeakPolarHBondContact O-CB 3.42Å; C970-K974 PolarHBondContact O-N 3.46Å |
| 971 | R | 98.3 | Very high | 96.8 | Very high | 13 Ų | 13 | 70.8 Ų | 70.8 | 5% | 0.049 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 172 | -170.5 | -167.1 | -168.9 | 146.7 | -11.4 | 112 | I917 G934 F938 I959 R964 N965 C967 Q968 Y969 K974 C975 | I917-R971 HydrophobicContact CG2-CG 4.37Å; G934-R971 PolarHBondContact O-NH2 3.44Å; F938-R971 HydrophobicContact CD1-CG 3.99Å; F938-R971 HydrophobicContact CE1-CB 4.07Å; F938-R971 HydrophobicContact CE1-CG 3.78Å; F938-R971 HydrophobicContact CZ-CB 4.16Å; F938-R971 HydrophobicContact CZ-CG 4.24Å; I959-R971 HydrophobicContact CD1-CB 4.03Å; I959-R971 HydrophobicContact CG2-CB 4.45Å; I959-R971 HydrophobicContact CG2-CG 4.2Å; R964-R971 VanDerWaalsContact O-CD 3.3Å; R964-R971 WeakPolarHBondContact O-CD 3.39Å; R964-R971 PolarHBondContact O-NH1 2.76Å; N965-R971 PolarHBondContact OD1-NH1 2.74Å; C967-R971 WeakPolarHBondContact O-CB 3.25Å; C967-R971 PolarHBondContact O-N 3.28Å; Q968-R971 PolarHBondContact O-N 3.31Å; Y969-R971 VanDerWaalsContact C-N 3.25Å; Y969-R971 PolarHBondContact O-N 2.89Å; R971-K974 PolarHBondContact O-N 3.48Å; R971-C975 PolarHBondContact O-N 3.14Å; R971-C975 PolarHBondContact O-SG 3.36Å |
| 972 | Y | 98.1 | Very high | 96.8 | Very high | 38 Ų | 38 | 71.9 Ų | 71.9 | 15% | 0.149 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.3 | -44.1 | 178.4 | -174.1 | -129.9 | 0 | 0 | 0 | 111.5 | F938 F939 T942 V943 Q968 Y969 K974 C975 L976 R982 | F938-Y972 HydrophobicContact CE1-CD2 4.37Å; F939-Y972 AromaticContact CD2-CD2 3.96Å; F939-Y972 HydrophobicContact CD2-CD2 3.96Å; F939-Y972 AromaticContact CD2-CE2 3.74Å; F939-Y972 HydrophobicContact CD2-CE2 3.74Å; F939-Y972 HydrophobicContact CE2-CD2 4.16Å; F939-Y972 AromaticContact CE2-CE2 3.61Å; F939-Y972 HydrophobicContact CE2-CE2 3.61Å; T942-Y972 HydrophobicContact CG2-CD1 4.02Å; T942-Y972 HydrophobicContact CG2-CD2 3.67Å; T942-Y972 HydrophobicContact CG2-CE1 3.89Å; T942-Y972 HydrophobicContact CG2-CE2 3.55Å; T942-Y972 HydrophobicContact CG2-CG 3.91Å; V943-Y972 HydrophobicContact CG2-CE2 4.39Å; Q968-Y972 WeakPolarHBondContact O-CB 3.3Å; Q968-Y972 PolarHBondContact O-N 3.13Å; Y969-Y972 PolarHBondContact O-N 3.47Å; Y972-K974 VanDerWaalsContact C-N 3.27Å; Y972-K974 PolarHBondContact O-N 3.34Å; Y972-C975 WeakPolarHBondContact O-CA 3.23Å; Y972-C975 VanDerWaalsContact O-CB 3.29Å; Y972-C975 WeakPolarHBondContact O-CB 3.11Å; Y972-C975 PolarHBondContact O-N 3.21Å; Y972-L976 HydrophobicContact CD1-CD1 4.21Å; Y972-L976 HydrophobicContact CE1-CD1 3.97Å; Y972-L976 HydrophobicContact CE2-CD1 4.5Å; Y972-L976 HydrophobicContact CE2-CD2 4.44Å; Y972-L976 HydrophobicContact CE2-CG 4.39Å; Y972-L976 WeakPolarHBondContact O-CG 3.38Å; Y972-L976 PolarHBondContact O-N 2.73Å; Y972-R982 WeakPolarHBondContact OH-CD 3.48Å |
| 973 | Q | 97.4 | Very high | 96.6 | Very high | 59 Ų | 59 | 66.3 Ų | 66.3 | 28% | 0.276 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.4 | -32.4 | 173 | -62.4 | -59.6 | 1.2 | 0 | 0 | 112.6 | Y969 R977 | Y969-Q973 HydrophobicContact CD1-CG 4.03Å; Y969-Q973 HydrophobicContact CD2-CG 4.45Å; Y969-Q973 HydrophobicContact CE1-CG 3.56Å; Y969-Q973 HydrophobicContact CE2-CG 4.09Å; Y969-Q973 HydrophobicContact CG-CG 4.44Å; Y969-Q973 WeakPolarHBondContact O-CG 3.43Å; Y969-Q973 PolarHBondContact O-N 3.35Å; Y969-Q973 PolarHBondContact OH-NE2 2.87Å; Q973-R977 VanDerWaalsContact O-CB 3.29Å; Q973-R977 WeakPolarHBondContact O-CB 3.37Å; Q973-R977 VanDerWaalsContact O-CG 3.27Å; Q973-R977 WeakPolarHBondContact O-CG 3.34Å; Q973-R977 PolarHBondContact O-N 3.47Å; Q973-R977 PolarHBondContact O-NE 3.49Å |
| 974 | K | 97.8 | Very high | 96.5 | Very high | 59 Ų | 59 | 63.8 Ų | 63.8 | 26% | 0.257 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -74.6 | -30.6 | 171.8 | -164.4 | 175.5 | 179 | -174.6 | 0 | 112.7 | I917 I959 C970 R971 Y972 A978 | I917-K974 HydrophobicContact CG2-CB 4.45Å; I917-K974 HydrophobicContact CG2-CG 4.45Å; I917-K974 WeakPolarHBondContact O-CD 3.42Å; I917-K974 WeakPolarHBondContact O-CE 3.32Å; I917-K974 PolarHBondContact O-NZ 3.25Å; I959-K974 HydrophobicContact CB-CD 3.7Å; I959-K974 HydrophobicContact CG1-CD 4.12Å; I959-K974 HydrophobicContact CG2-CD 4.12Å; I959-K974 PolarHBondContact O-NZ 3.16Å; C970-K974 VanDerWaalsContact O-CB 3.28Å; C970-K974 WeakPolarHBondContact O-CB 3.42Å; C970-K974 PolarHBondContact O-N 3.46Å; R971-K974 PolarHBondContact O-N 3.48Å; Y972-K974 VanDerWaalsContact C-N 3.27Å; Y972-K974 PolarHBondContact O-N 3.34Å; K974-A978 WeakPolarHBondContact O-CB 3.21Å; K974-A978 PolarHBondContact O-N 3.3Å |
| 975 | C | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.5 | -49.3 | 168.8 | -65.6 | 0 | 0 | 0 | 0 | 110.8 | I917 F939 R971 Y972 A978 G979 M980 | I917-C975 HydrophobicContact CG1-CB 4.38Å; F939-C975 HydrophobicContact CD2-CB 3.73Å; F939-C975 HydrophobicContact CE2-CB 4.17Å; R971-C975 PolarHBondContact O-N 3.14Å; R971-C975 PolarHBondContact O-SG 3.36Å; Y972-C975 WeakPolarHBondContact O-CA 3.23Å; Y972-C975 VanDerWaalsContact O-CB 3.29Å; Y972-C975 WeakPolarHBondContact O-CB 3.11Å; Y972-C975 PolarHBondContact O-N 3.21Å; C975-A978 PolarHBondContact O-N 3.34Å; C975-G979 PolarHBondContact O-N 3.02Å; C975-M980 HydrophobicContact CB-CB 4.12Å; C975-M980 HydrophobicContact CB-CG 4.07Å; C975-M980 HydrophobicContact CB-SD 3.61Å; C975-M980 VanDerWaalsContact O-CB 3.27Å; C975-M980 WeakPolarHBondContact O-CB 3.3Å; C975-M980 PolarHBondContact O-N 3.41Å |
| 976 | L | 97.4 | Very high | 95.8 | Very high | 42 Ų | 42 | 63.8 Ų | 63.8 | 22% | 0.22 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.7 | -49.4 | 178.7 | -65.1 | 173.7 | 0 | 0 | 0 | 111.5 | F939 Y972 A978 G979 R982 | F939-L976 HydrophobicContact CE2-CD2 3.95Å; F939-L976 HydrophobicContact CZ-CD2 4.37Å; Y972-L976 HydrophobicContact CD1-CD1 4.21Å; Y972-L976 HydrophobicContact CE1-CD1 3.97Å; Y972-L976 HydrophobicContact CE2-CD1 4.5Å; Y972-L976 HydrophobicContact CE2-CD2 4.44Å; Y972-L976 HydrophobicContact CE2-CG 4.39Å; Y972-L976 WeakPolarHBondContact O-CG 3.38Å; Y972-L976 PolarHBondContact O-N 2.73Å; L976-A978 VanDerWaalsContact C-N 3.27Å; L976-A978 PolarHBondContact O-N 2.88Å; L976-G979 WeakPolarHBondContact O-CA 3.36Å; L976-G979 PolarHBondContact O-N 3.38Å; L976-R982 HydrophobicContact CD2-CG 3.99Å |
| 977 | R | 97 | Very high | 95 | Very high | 185 Ų | 185 | 61.4 Ų | 61.4 | 70% | 0.698 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60.6 | -30.8 | 175.8 | -75.5 | -176.6 | -72.3 | 167.9 | -9.7 | 113.9 | Q973 G979 | Q973-R977 VanDerWaalsContact O-CB 3.29Å; Q973-R977 WeakPolarHBondContact O-CB 3.37Å; Q973-R977 VanDerWaalsContact O-CG 3.27Å; Q973-R977 WeakPolarHBondContact O-CG 3.34Å; Q973-R977 PolarHBondContact O-N 3.47Å; Q973-R977 PolarHBondContact O-NE 3.49Å; R977-G979 PolarHBondContact O-N 3.38Å |
| 978 | A | 96.5 | Very high | 93.9 | Very high | 39 Ų | 39 | 65.3 Ų | 65.3 | 32% | 0.322 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -10.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | I917 V929 K974 C975 L976 | I917-A978 HydrophobicContact CD1-CB 4Å; I917-A978 HydrophobicContact CG1-CB 4.22Å; V929-A978 WeakPolarHBondContact CG1-O 3.46Å; K974-A978 WeakPolarHBondContact O-CB 3.21Å; K974-A978 PolarHBondContact O-N 3.3Å; C975-A978 PolarHBondContact O-N 3.34Å; L976-A978 VanDerWaalsContact C-N 3.27Å; L976-A978 PolarHBondContact O-N 2.88Å |
| 979 | G | 96.9 | Very high | 92.7 | Very high | 38 Ų | 38 | 69.3 Ų | 69.3 | 39% | 0.392 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.1 | 19.9 | -180 | 0 | 0 | 0 | 0 | 0 | 115.5 | V929 C975 L976 R977 R981 | V929-G979 WeakPolarHBondContact CG1-O 3.21Å; C975-G979 PolarHBondContact O-N 3.02Å; L976-G979 WeakPolarHBondContact O-CA 3.36Å; L976-G979 PolarHBondContact O-N 3.38Å; R977-G979 PolarHBondContact O-N 3.38Å; G979-R981 PolarHBondContact O-N 2.81Å |
| 980 | M | 97.8 | Very high | 91 | Very high | 6 Ų | 6 | 73.3 Ų | 73.3 | 3% | 0.03 | 34% | 0.342 | C | S | . | . | trans | -67.6 | 115.7 | 174 | -74.1 | -164.6 | 156.7 | 0 | 0 | 111.3 | I917 Y927 V929 S931 F939 C975 | I917-M980 HydrophobicContact CD1-CE 3.93Å; I917-M980 HydrophobicContact CD1-SD 4.45Å; Y927-M980 WeakPolarHBondContact O-CA 3.46Å; V929-M980 HydrophobicContact CB-CG 4.49Å; V929-M980 HydrophobicContact CG1-CG 4.17Å; V929-M980 HydrophobicContact CG2-CE 3.56Å; V929-M980 HydrophobicContact CG2-CG 3.45Å; V929-M980 VanDerWaalsContact CG2-CG 3.45Å; V929-M980 HydrophobicContact CG2-SD 4.34Å; S931-M980 WeakPolarHBondContact OG-CE 3.42Å; F939-M980 HydrophobicContact CB-SD 3.71Å; F939-M980 HydrophobicContact CD1-CB 4.33Å; F939-M980 HydrophobicContact CD1-SD 4.19Å; F939-M980 HydrophobicContact CD2-CB 3.84Å; F939-M980 HydrophobicContact CD2-CG 4.42Å; F939-M980 HydrophobicContact CD2-SD 3.72Å; F939-M980 HydrophobicContact CE1-CB 4.01Å; F939-M980 HydrophobicContact CE2-CB 3.49Å; F939-M980 VanDerWaalsContact CE2-CB 3.49Å; F939-M980 HydrophobicContact CE2-SD 4.37Å; F939-M980 HydrophobicContact CG-CB 4.25Å; F939-M980 HydrophobicContact CG-SD 3.61Å; F939-M980 HydrophobicContact CZ-CB 3.58Å; F939-M980 WeakPolarHBondContact CZ-O 3.45Å; C975-M980 HydrophobicContact CB-CB 4.12Å; C975-M980 HydrophobicContact CB-CG 4.07Å; C975-M980 HydrophobicContact CB-SD 3.61Å; C975-M980 VanDerWaalsContact O-CB 3.27Å; C975-M980 WeakPolarHBondContact O-CB 3.3Å; C975-M980 PolarHBondContact O-N 3.41Å | ||
| 981 | R | 94.6 | Very high | 89.1 | Confident | 53 Ų | 53 | 78.2 Ų | 78.2 | 20% | 0.2 | 37% | 0.365 | C | S | . | . | trans | -78 | 113.7 | -178.1 | -75.8 | 175.2 | 174.9 | -92.8 | 7 | 111.8 | Y927 F939 G979 E983 A984 | Y927-R981 WeakPolarHBondContact O-CB 3.5Å; Y927-R981 PolarHBondContact O-N 3.46Å; F939-R981 WeakPolarHBondContact CE1-O 3.26Å; G979-R981 PolarHBondContact O-N 2.81Å; R981-E983 VanDerWaalsContact C-N 3.29Å; R981-E983 WeakPolarHBondContact CA-OE2 3.21Å; R981-E983 VanDerWaalsContact CB-OE1 3.32Å; R981-E983 WeakPolarHBondContact CB-OE1 3.4Å; R981-E983 VanDerWaalsContact CB-OE2 3.25Å; R981-E983 WeakPolarHBondContact CB-OE2 3.38Å; R981-E983 WeakPolarHBondContact CD-OE1 3.47Å; R981-E983 WeakPolarHBondContact CG-OE1 3.46Å; R981-E983 IonicContact CZ-OE1 3.64Å; R981-E983 IonicContact NE-OE1 3.92Å; R981-E983 IonicContact NH1-OE1 2.68Å; R981-E983 PolarHBondContact NH1-OE1 3.2Å; R981-E983 PolarHBondContact O-N 2.92Å; R981-A984 HydrophobicContact CB-CB 3.77Å; R981-A984 WeakPolarHBondContact O-CB 3.47Å; R981-A984 PolarHBondContact O-N 2.83Å | ||
| 982 | R | 94.3 | Very high | 86.9 | Confident | 141 Ų | 141 | 84.4 Ų | 84.4 | 53% | 0.532 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -62.1 | -40.1 | 175.8 | -65.5 | -171.6 | -68.8 | -109.7 | 5.9 | 110.9 | F939 V943 Y972 L976 A984 V985 | F939-R982 HydrophobicContact CZ-CB 4.48Å; F939-R982 HydrophobicContact CZ-CG 3.86Å; V943-R982 HydrophobicContact CG1-CB 4.43Å; V943-R982 HydrophobicContact CG2-CB 4.37Å; V943-R982 HydrophobicContact CG2-CG 4.07Å; Y972-R982 WeakPolarHBondContact OH-CD 3.48Å; L976-R982 HydrophobicContact CD2-CG 3.99Å; R982-A984 PolarHBondContact O-N 2.92Å; R982-A984 VanDerWaalsContact O-N 3.11Å; R982-V985 WeakPolarHBondContact O-CB 3.46Å; R982-V985 PolarHBondContact O-N 3.38Å |
| 983 | E | 92.2 | Very high | 84.7 | Confident | 120 Ų | 120 | 88.4 Ų | 88.4 | 56% | 0.561 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -68.1 | -7.4 | 178.3 | 82.5 | -67.9 | 174.4 | 0 | 0 | 114.3 | R981 | R981-E983 VanDerWaalsContact C-N 3.29Å; R981-E983 WeakPolarHBondContact CA-OE2 3.21Å; R981-E983 VanDerWaalsContact CB-OE1 3.32Å; R981-E983 WeakPolarHBondContact CB-OE1 3.4Å; R981-E983 VanDerWaalsContact CB-OE2 3.25Å; R981-E983 WeakPolarHBondContact CB-OE2 3.38Å; R981-E983 WeakPolarHBondContact CD-OE1 3.47Å; R981-E983 WeakPolarHBondContact CG-OE1 3.46Å; R981-E983 IonicContact CZ-OE1 3.64Å; R981-E983 IonicContact NE-OE1 3.92Å; R981-E983 IonicContact NH1-OE1 2.68Å; R981-E983 PolarHBondContact NH1-OE1 3.2Å; R981-E983 PolarHBondContact O-N 2.92Å |
| 984 | A | 91.9 | Very high | 82.8 | Confident | 39 Ų | 39 | 90.8 Ų | 90.8 | 32% | 0.322 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -89.1 | -1.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y927 R981 R982 Q986 | Y927-A984 HydrophobicContact CD1-CB 3.95Å; Y927-A984 WeakPolarHBondContact CD1-O 3.46Å; Y927-A984 WeakPolarHBondContact CE1-O 3.37Å; R981-A984 HydrophobicContact CB-CB 3.77Å; R981-A984 WeakPolarHBondContact O-CB 3.47Å; R981-A984 PolarHBondContact O-N 2.83Å; R982-A984 PolarHBondContact O-N 2.92Å; R982-A984 VanDerWaalsContact O-N 3.11Å; A984-Q986 PolarHBondContact O-N 3.44Å |
| 985 | V | 92.1 | Very high | 80.7 | Confident | 20 Ų | 20 | 94.5 Ų | 94.5 | 12% | 0.121 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -91.9 | 96.2 | 175.4 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | Y927 F939 K940 V943 R944 R982 | Y927-V985 HydrophobicContact CD1-CG2 3.7Å; Y927-V985 HydrophobicContact CE1-CB 4.34Å; Y927-V985 HydrophobicContact CE1-CG2 3.67Å; Y927-V985 HydrophobicContact CG-CG2 4.27Å; F939-V985 HydrophobicContact CD1-CG2 3.8Å; F939-V985 HydrophobicContact CE1-CG2 3.67Å; K940-V985 HydrophobicContact CG-CG1 4.37Å; V943-V985 HydrophobicContact CB-CB 4.19Å; V943-V985 HydrophobicContact CB-CG1 4.2Å; V943-V985 HydrophobicContact CB-CG2 3.98Å; V943-V985 HydrophobicContact CG1-CB 3.86Å; V943-V985 HydrophobicContact CG1-CG1 4.16Å; V943-V985 HydrophobicContact CG1-CG2 4.04Å; V943-V985 HydrophobicContact CG2-CG2 4.14Å; R944-V985 HydrophobicContact CG-CG1 4.42Å; R982-V985 WeakPolarHBondContact O-CB 3.46Å; R982-V985 PolarHBondContact O-N 3.38Å |
| 986 | Q | 85.7 | Confident | 78.3 | Confident | 143 Ų | 143 | 97.2 Ų | 97.2 | 67% | 0.668 | 47% | 0.465 | S | S | * | . | trans | -54.2 | 147.4 | 170.4 | -67.4 | 177.6 | -14.3 | 0 | 0 | 111.5 | R944 A984 | R944-Q986 VanDerWaalsContact CZ-O 3.27Å; R944-Q986 PolarHBondContact NH1-O 2.93Å; R944-Q986 PolarHBondContact NH2-O 3.17Å; A984-Q986 PolarHBondContact O-N 3.44Å | ||
| 987 | E | 78.2 | Confident | 76.1 | Confident | 132 Ų | 132 | 101.9 Ų | 101.9 | 62% | 0.617 | 49% | 0.486 | S | S | * | . | trans | -67.6 | -179.5 | 177.5 | -160.8 | 161.3 | 179.6 | 0 | 0 | 113.5 | R944 Q991 | R944-E987 PolarHBondContact NH2-O 3.23Å; E987-Q991 PolarHBondContact OE1-NE2 2.94Å; E987-Q991 PolarHBondContact OE1-OE1 3.44Å | ||
| 988 | E | 74.6 | Confident | 74.2 | Confident | 92 Ų | 92 | 97.7 Ų | 97.7 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | trans | -79.6 | 124.4 | 176 | -150.1 | 76.4 | -83.9 | 0 | 0 | 111.1 | R944 Q990 | R944-E988 IonicContact CZ-OE1 3.38Å; R944-E988 IonicContact NE-OE1 3.18Å; R944-E988 PolarHBondContact NE-OE1 3.42Å; R944-E988 IonicContact NE-OE2 3.2Å; R944-E988 PolarHBondContact NE-OE2 3.24Å; R944-E988 IonicContact NH2-OE1 2.78Å; R944-E988 PolarHBondContact NH2-OE1 3.12Å; E988-Q990 PolarHBondContact O-N 3.45Å; E988-Q990 VanDerWaalsContact O-N 3.08Å | ||
| 989 | R | 71.1 | Confident | 72.1 | Confident | 189 Ų | 189 | 102.2 Ų | 102.2 | 71% | 0.713 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -9.6 | -175.2 | -63.1 | -175.1 | -173.3 | 170.2 | 1 | 114.7 | Q991 Q992 | R989-Q991 PolarHBondContact O-N 2.94Å; R989-Q992 PolarHBondContact O-N 2.91Å |
| 990 | Q | 61.8 | Low | 69.7 | Low | 131 Ų | 131 | 110.6 Ų | 110.6 | 61% | 0.612 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -71.1 | -26.7 | -171.6 | -69.5 | 178.9 | -15.6 | 0 | 0 | 113.5 | E988 Q992 Q993 L994 | E988-Q990 PolarHBondContact O-N 3.45Å; E988-Q990 VanDerWaalsContact O-N 3.08Å; Q990-Q992 PolarHBondContact O-N 3.1Å; Q990-Q993 PolarHBondContact O-N 3.5Å; Q990-Q993 VanDerWaalsContact O-N 3.1Å; Q990-L994 PolarHBondContact O-N 3.48Å |
| 991 | Q | 58.6 | Low | 66.5 | Low | 104 Ų | 104 | 114.7 Ų | 114.7 | 49% | 0.486 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -56.6 | -36 | 175.5 | -69 | 171.6 | -0.3 | 0 | 0 | 112.5 | E987 R989 Q995 | E987-Q991 PolarHBondContact OE1-NE2 2.94Å; E987-Q991 PolarHBondContact OE1-OE1 3.44Å; R989-Q991 PolarHBondContact O-N 2.94Å; Q991-Q995 PolarHBondContact O-N 3.12Å |
| 992 | Q | 52.3 | Low | 63.5 | Low | 143 Ų | 143 | 118 Ų | 118 | 67% | 0.668 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -73.3 | -26.1 | -179.7 | -68.3 | -178 | -19 | 0 | 0 | 113 | R989 Q990 S996 | R989-Q992 PolarHBondContact O-N 2.91Å; Q990-Q992 PolarHBondContact O-N 3.1Å; Q992-S996 WeakPolarHBondContact O-CB 3.5Å; Q992-S996 PolarHBondContact O-N 2.85Å; Q992-S996 PolarHBondContact O-OG 3.46Å |
| 993 | Q | 53.1 | Low | 60.8 | Low | 121 Ų | 121 | 116.7 Ų | 116.7 | 57% | 0.565 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -70.8 | -50.1 | 178.5 | -64 | -175.4 | -78.7 | 0 | 0 | 110.1 | Q990 Q995 S996 E997 | Q990-Q993 PolarHBondContact O-N 3.5Å; Q990-Q993 VanDerWaalsContact O-N 3.1Å; Q993-Q995 VanDerWaalsContact C-N 3.28Å; Q993-Q995 PolarHBondContact O-N 3Å; Q993-S996 PolarHBondContact O-N 3.49Å; Q993-S996 PolarHBondContact O-OG 2.9Å; Q993-E997 PolarHBondContact O-N 3.36Å |
| 994 | L | 57.3 | Low | 57.8 | Low | 110 Ų | 110 | 117 Ų | 117 | 58% | 0.576 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -55.9 | -38 | 176.2 | -68.9 | 167.6 | 0 | 0 | 0 | 113.1 | Q990 V998 | Q990-L994 PolarHBondContact O-N 3.48Å; L994-V998 WeakPolarHBondContact O-CG2 3.36Å |
| 995 | Q | 53.2 | Low | 54.9 | Low | 137 Ų | 137 | 120.7 Ų | 120.7 | 64% | 0.64 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -72.6 | -37.8 | 175 | -70.5 | 179.3 | -10.8 | 0 | 0 | 112.8 | Q991 Q993 E997 | Q991-Q995 PolarHBondContact O-N 3.12Å; Q993-Q995 VanDerWaalsContact C-N 3.28Å; Q993-Q995 PolarHBondContact O-N 3Å; Q995-E997 VanDerWaalsContact C-N 3.32Å; Q995-E997 PolarHBondContact O-N 3.01Å |
| 996 | S | 47.3 | Very low | 51.9 | Low | 56 Ų | 56 | 128.4 Ų | 128.4 | 39% | 0.392 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -71.8 | -24.1 | -179.7 | 71.5 | 0 | 0 | 0 | 0 | 114.3 | Q992 Q993 | Q992-S996 WeakPolarHBondContact O-CB 3.5Å; Q992-S996 PolarHBondContact O-N 2.85Å; Q992-S996 PolarHBondContact O-OG 3.46Å; Q993-S996 PolarHBondContact O-N 3.49Å; Q993-S996 PolarHBondContact O-OG 2.9Å |
| 997 | E | 52.5 | Low | 49.2 | Very low | 140 Ų | 140 | 130.1 Ų | 130.1 | 65% | 0.654 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -76.9 | -38 | -178.7 | -156.8 | 143.9 | -138.2 | 0 | 0 | 111 | Q993 Q995 Q999 R1000 | Q993-E997 PolarHBondContact O-N 3.36Å; Q995-E997 VanDerWaalsContact C-N 3.32Å; Q995-E997 PolarHBondContact O-N 3.01Å; E997-Q999 PolarHBondContact O-N 2.95Å; E997-R1000 PolarHBondContact O-N 3.03Å |
| 998 | V | 57 | Low | 46.8 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 59% | 0.588 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -64 | -20.4 | 173.6 | 175.4 | 0 | 0 | 0 | 0 | 113.2 | L994 | L994-V998 WeakPolarHBondContact O-CG2 3.36Å |
| 999 | Q | 51.3 | Low | 44.5 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 63% | 0.631 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | 9.4 | -177.5 | -67.9 | -170.9 | -42.8 | 0 | 0 | 114.7 | E997 | E997-Q999 PolarHBondContact O-N 2.95Š|
| 1000 | R | 46.2 | Very low | 42.5 | Very low | 213 Ų | 213 | 131.5 Ų | 131.5 | 80% | 0.804 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -120.6 | 10.3 | -175.2 | -76.8 | -173.7 | 176.1 | -127.9 | -2 | 116.1 | E997 P1002 | E997-R1000 PolarHBondContact O-N 3.03Å; R1000-P1002 WeakPolarHBondContact O-CD 3.38Å |
| 1001 | S | 30.4 | Very low | 41.2 | Very low | 92 Ų | 92 | 133.4 Ų | 133.4 | 64% | 0.643 | 71% | 0.707 | S | S | * | * | trans | -112.2 | 87.2 | 179.9 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | T1003 | S1001-T1003 PolarHBondContact O-N 3.47Š| ||
| 1002 | P | 33.1 | Very low | 39.7 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 79% | 0.792 | 71% | 0.713 | S | S | * | * | trans | -92.8 | 71.9 | -179.6 | 37.2 | -36.4 | 0 | 0 | 0 | 113.5 | R1000 | R1000-P1002 WeakPolarHBondContact O-CD 3.38Š| ||
| 1003 | T | 37.2 | Very low | 38.9 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -172.8 | 150.4 | 159.9 | 26.9 | 0 | 0 | 0 | 0 | 108.6 | S1001 P1005 | S1001-T1003 PolarHBondContact O-N 3.47Å; T1003-P1005 VanDerWaalsContact O-CD 3.25Å; T1003-P1005 WeakPolarHBondContact O-CD 3.26Å |
| 1004 | P | 28.3 | Very low | 37.9 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 83% | 0.825 | 70% | 0.703 | S | S | * | * | trans | -80.3 | 115.8 | 169.7 | 31.4 | -30.3 | 0 | 0 | 0 | 110.8 | ||||
| 1005 | P | 31.5 | Very low | 36.7 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 75% | 0.753 | 70% | 0.704 | S | S | * | * | trans | -96.3 | 129.7 | 175.5 | 5.6 | 16.7 | 0 | 0 | 0 | 110.4 | T1003 | T1003-P1005 VanDerWaalsContact O-CD 3.25Å; T1003-P1005 WeakPolarHBondContact O-CD 3.26Å | ||
| 1006 | E | 29.2 | Very low | 35.9 | Very low | 183 Ų | 183 | 129 Ų | 129 | 86% | 0.855 | 71% | 0.714 | S | S | * | * | trans | -76.3 | 129.7 | 169.4 | -61.9 | 178.6 | 124.7 | 0 | 0 | 110.4 | ||||
| 1007 | Q | 29 | Very low | 35.4 | Very low | 178 Ų | 178 | 132.6 Ų | 132.6 | 83% | 0.832 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 67.4 | 151.6 | 165.1 | -55.2 | 178 | 0.8 | 0 | 0 | 117.7 | ||
| 1008 | N | 28.1 | Very low | 34.5 | Very low | 158 Ų | 158 | 133 Ų | 133 | 85% | 0.845 | 73% | 0.731 | S | S | * | * | trans | 55.8 | 101.7 | 175.3 | -68.2 | -24.9 | 0 | 0 | 0 | 118.8 | ||||
| 1009 | C | 26.8 | Very low | 33.3 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 89% | 0.892 | 73% | 0.733 | S | S | * | * | -169.6 | 147 | 111.9 | 44.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1010 | D | 27.7 | Very low | 32.4 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | trans | -86.5 | 174.7 | 177.9 | -81.7 | -69.8 | 0 | 0 | 0 | 114 | ||||
| 1011 | L | 34.9 | Very low | 31.8 | Very low | 171 Ų | 171 | 127.7 Ų | 127.7 | 90% | 0.895 | 73% | 0.731 | S | S | * | * | trans | 98.9 | 155.2 | 156.1 | -64.2 | 142.6 | 0 | 0 | 0 | 119.9 | ||||
| 1012 | S | 28.3 | Very low | 31.8 | Very low | 88 Ų | 88 | 132.3 Ų | 132.3 | 62% | 0.615 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 74.7 | 41.7 | 161.4 | -145.7 | 0 | 0 | 0 | 0 | 120.2 | ||
| 1013 | V | 34.4 | Very low | 31.8 | Very low | 83 Ų | 83 | 134.5 Ų | 134.5 | 50% | 0.503 | 74% | 0.743 | S | S | . | * | S | Bend | trans | -126.7 | -34.9 | 150.9 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | S1015 | V1013-S1015 PolarHBondContact O-N 3.21Å; V1013-S1015 VanDerWaalsContact O-N 3.1Å |
| 1014 | N | 32.2 | Very low | 31.5 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 51% | 0.513 | 75% | 0.749 | S | S | . | * | G | 310 helix | trans | -68.2 | -13.4 | -172.5 | -59.5 | 5 | 0 | 0 | 0 | 114.6 | M1016 I1017 M1018 | N1014-M1016 VanDerWaalsContact C-N 3.32Å; N1014-M1016 PolarHBondContact O-N 3.47Å; N1014-I1017 PolarHBondContact O-N 2.99Å; N1014-M1018 PolarHBondContact O-N 2.87Å |
| 1015 | S | 32.7 | Very low | 31.4 | Very low | 86 Ų | 86 | 137.8 Ų | 137.8 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -69 | -23.3 | -178.7 | 50.6 | 0 | 0 | 0 | 0 | 114.6 | V1013 | V1013-S1015 PolarHBondContact O-N 3.21Å; V1013-S1015 VanDerWaalsContact O-N 3.1Å |
| 1016 | M | 35.6 | Very low | 31.2 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 84% | 0.837 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -81.1 | -18.6 | 179.5 | -154.8 | 80.8 | 174.4 | 0 | 0 | 112.8 | N1014 | N1014-M1016 VanDerWaalsContact C-N 3.32Å; N1014-M1016 PolarHBondContact O-N 3.47Å |
| 1017 | I | 37.3 | Very low | 31.3 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 68% | 0.677 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -23.2 | -168.9 | -63.4 | 176.5 | 0 | 0 | 0 | 112.3 | N1014 S1019 | N1014-I1017 PolarHBondContact O-N 2.99Å; I1017-S1019 PolarHBondContact O-N 3.47Å |
| 1018 | M | 33.2 | Very low | 31.5 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -94 | 22.1 | -178.6 | -58.3 | -165.7 | 78.7 | 0 | 0 | 114.9 | N1014 | N1014-M1018 PolarHBondContact O-N 2.87Š|
| 1019 | S | 32.4 | Very low | 31.8 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -94.7 | -30.8 | -176.4 | -69.5 | 0 | 0 | 0 | 0 | 115.2 | I1017 | I1017-S1019 PolarHBondContact O-N 3.47Š|
| 1020 | D | 32.9 | Very low | 32.3 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 69% | 0.69 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -109.7 | 8.4 | -168.8 | -70.8 | -37.1 | 0 | 0 | 0 | 114.5 | K1022 | D1020-K1022 PolarHBondContact O-N 3.31Š|
| 1021 | T | 32.4 | Very low | 32.4 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 69% | 0.693 | 70% | 0.702 | S | S | * | * | trans | -80.9 | 76.1 | -178 | 55.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1022 | K | 31.6 | Very low | 32.6 | Very low | 189 Ų | 189 | 123.5 Ų | 123.5 | 82% | 0.822 | 69% | 0.687 | S | S | * | * | trans | -132 | 134.9 | 153.1 | -71.2 | -171.2 | 178.5 | -177.2 | 0 | 108.7 | D1020 | D1020-K1022 PolarHBondContact O-N 3.31Š| ||
| 1023 | I | 31.7 | Very low | 32.8 | Very low | 168 Ų | 168 | 122.4 Ų | 122.4 | 86% | 0.862 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 79 | 78.6 | -168.2 | -45.9 | 160.8 | 0 | 0 | 0 | 113.1 | ||
| 1024 | T | 31.2 | Very low | 32.9 | Very low | 136 Ų | 136 | 123.2 Ų | 123.2 | 83% | 0.834 | 68% | 0.681 | S | S | * | * | trans | 177.5 | 95.6 | 133.7 | 38.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1025 | N | 27.2 | Very low | 33.2 | Very low | 173 Ų | 173 | 125.7 Ų | 125.7 | 93% | 0.925 | 69% | 0.688 | S | S | * | * | trans | -108.1 | 85.9 | 173 | -83.6 | 9 | 0 | 0 | 0 | 110.7 | ||||
| 1026 | A | 27 | Very low | 33.5 | Very low | 89 Ų | 89 | 124.5 Ų | 124.5 | 74% | 0.736 | 67% | 0.672 | S | S | * | * | trans | -174.5 | 154.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1027 | M | 30.7 | Very low | 33.5 | Very low | 178 Ų | 178 | 121.8 Ų | 121.8 | 88% | 0.877 | 66% | 0.658 | S | S | * | * | trans | 89.4 | 88.7 | 164.6 | -54.5 | -170.4 | 177.9 | 0 | 0 | 119.5 | ||||
| 1028 | N | 32.8 | Very low | 33.5 | Very low | 122 Ų | 122 | 121.4 Ų | 121.4 | 65% | 0.652 | 66% | 0.656 | S | S | * | * | trans | 46.4 | 111.4 | 134.7 | -58.9 | 11.1 | 0 | 0 | 0 | 120.5 | ||||
| 1029 | H | 34.9 | Very low | 33.5 | Very low | 164 Ų | 164 | 118.9 Ų | 118.9 | 76% | 0.759 | 64% | 0.643 | S | S | * | * | trans | -90.8 | 1.9 | 179.2 | -120.1 | -86.8 | 0 | 0 | 0 | 115.6 | C1031 | H1029-C1031 PolarHBondContact O-N 3.37Š| ||
| 1030 | S | 36.8 | Very low | 33.7 | Very low | 55 Ų | 55 | 117.6 Ų | 117.6 | 39% | 0.385 | 63% | 0.629 | S | S | . | * | G | 310 helix | trans | -68.1 | -33.3 | -165 | 46.8 | 0 | 0 | 0 | 0 | 115.5 | L1032 | S1030-L1032 VanDerWaalsContact C-N 3.3Å; S1030-L1032 PolarHBondContact O-N 2.96Å |
| 1031 | C | 30.5 | Very low | 33.8 | Very low | 74 Ų | 74 | 118.6 Ų | 118.6 | 50% | 0.5 | 63% | 0.627 | S | S | . | * | G | 310 helix | trans | -73.3 | -14.1 | -168.3 | -166.2 | 0 | 0 | 0 | 0 | 115 | H1029 | H1029-C1031 PolarHBondContact O-N 3.37Š|
| 1032 | L | 38.6 | Very low | 33.8 | Very low | 108 Ų | 108 | 118.2 Ų | 118.2 | 57% | 0.565 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -85.8 | -31.8 | -175 | -101.5 | 124.4 | 0 | 0 | 0 | 114.7 | S1030 Q1036 | S1030-L1032 VanDerWaalsContact C-N 3.3Å; S1030-L1032 PolarHBondContact O-N 2.96Å; L1032-Q1036 WeakPolarHBondContact O-CG 3.3Å |
| 1033 | A | 33.7 | Very low | 33.8 | Very low | 65 Ų | 65 | 113.6 Ų | 113.6 | 54% | 0.537 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.8 | -47.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K1035 Q1036 E1037 | A1033-K1035 VanDerWaalsContact C-N 3.26Å; A1033-K1035 PolarHBondContact O-N 2.94Å; A1033-Q1036 PolarHBondContact O-N 2.69Å; A1033-E1037 PolarHBondContact O-N 2.94Å |
| 1034 | E | 35.8 | Very low | 33.5 | Very low | 101 Ų | 101 | 112.7 Ų | 112.7 | 47% | 0.472 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.4 | -24.4 | -169.3 | -160.9 | 170.6 | -146.7 | 0 | 0 | 113.7 | I1475 | E1034-I1475 WeakPolarHBondContact OE1-CG2 3.32Å |
| 1035 | K | 38.9 | Very low | 33.3 | Very low | 148 Ų | 148 | 112.5 Ų | 112.5 | 64% | 0.643 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -91.1 | -18.9 | 173.9 | -70.9 | -159.1 | 173.1 | -161.9 | 0 | 114.6 | A1033 | A1033-K1035 VanDerWaalsContact C-N 3.26Å; A1033-K1035 PolarHBondContact O-N 2.94Å |
| 1036 | Q | 38.3 | Very low | 33.3 | Very low | 60 Ų | 60 | 111.2 Ų | 111.2 | 28% | 0.28 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -73.5 | -33.6 | 175.9 | -72.7 | 178.6 | -19.8 | 0 | 0 | 111.6 | L1032 A1033 I1038 M1039 L1040 L1118 | L1032-Q1036 WeakPolarHBondContact O-CG 3.3Å; A1033-Q1036 PolarHBondContact O-N 2.69Å; Q1036-I1038 PolarHBondContact O-N 3Å; Q1036-M1039 PolarHBondContact O-N 3.43Å; Q1036-M1039 VanDerWaalsContact O-N 3.15Å; Q1036-L1040 WeakPolarHBondContact O-CG 3.31Å; Q1036-L1040 PolarHBondContact O-N 2.99Å; Q1036-L1040 VanDerWaalsContact O-N 3.08Å; Q1036-L1118 HydrophobicContact CB-CD1 4.14Å; Q1036-L1118 HydrophobicContact CG-CD1 3.76Å |
| 1037 | E | 35 | Very low | 33.6 | Very low | 113 Ų | 113 | 113.2 Ų | 113.2 | 53% | 0.528 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64.7 | -25.6 | -178.3 | -147.5 | -163.6 | 136.9 | 0 | 0 | 113.8 | A1033 K1041 | A1033-E1037 PolarHBondContact O-N 2.94Å; E1037-K1041 VanDerWaalsContact O-CD 3.31Å; E1037-K1041 WeakPolarHBondContact O-CD 3.29Å; E1037-K1041 VanDerWaalsContact O-CG 3.29Å; E1037-K1041 WeakPolarHBondContact O-CG 3.34Å; E1037-K1041 WeakPolarHBondContact OE1-CE 3.35Å; E1037-K1041 IonicContact OE1-NZ 2.61Å; E1037-K1041 PolarHBondContact OE1-NZ 3.5Å |
| 1038 | I | 38.7 | Very low | 33.5 | Very low | 124 Ų | 124 | 110.1 Ų | 110.1 | 64% | 0.636 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -76.3 | -42.2 | 174.8 | -59 | 176.4 | 0 | 0 | 0 | 110.4 | Q1036 L1040 K1041 | Q1036-I1038 PolarHBondContact O-N 3Å; I1038-L1040 VanDerWaalsContact C-N 3.31Å; I1038-L1040 PolarHBondContact O-N 3.4Å; I1038-K1041 PolarHBondContact O-N 2.94Å |
| 1039 | M | 32.9 | Very low | 33.4 | Very low | 96 Ų | 96 | 109.8 Ų | 109.8 | 47% | 0.473 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -76 | -17.9 | -176.4 | -155.5 | 168 | 73.9 | 0 | 0 | 113.4 | Q1036 L1118 | Q1036-M1039 PolarHBondContact O-N 3.43Å; Q1036-M1039 VanDerWaalsContact O-N 3.15Å; M1039-L1118 HydrophobicContact CE-CD1 3.69Å; M1039-L1118 HydrophobicContact CE-CD2 3.59Å; M1039-L1118 HydrophobicContact CE-CG 4.31Å |
| 1040 | L | 36.2 | Very low | 33.1 | Very low | 64 Ų | 64 | 107.5 Ų | 107.5 | 34% | 0.335 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.7 | -15.1 | 173.7 | -74.9 | 164.3 | 0 | 0 | 0 | 113.8 | Q1036 I1038 A1117 L1118 | Q1036-L1040 WeakPolarHBondContact O-CG 3.31Å; Q1036-L1040 PolarHBondContact O-N 2.99Å; Q1036-L1040 VanDerWaalsContact O-N 3.08Å; I1038-L1040 VanDerWaalsContact C-N 3.31Å; I1038-L1040 PolarHBondContact O-N 3.4Å; L1040-A1117 HydrophobicContact CD1-CB 3.91Å; L1040-A1117 HydrophobicContact CD2-CB 4.08Å; L1040-L1118 HydrophobicContact CD2-CG 4.31Å |
| 1041 | K | 34.1 | Very low | 32.7 | Very low | 150 Ų | 150 | 110.5 Ų | 110.5 | 65% | 0.652 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -86.8 | -11.4 | -178.3 | -75.6 | 171.8 | -173.2 | 171.3 | 0 | 114.1 | E1037 I1038 | E1037-K1041 VanDerWaalsContact O-CD 3.31Å; E1037-K1041 WeakPolarHBondContact O-CD 3.29Å; E1037-K1041 VanDerWaalsContact O-CG 3.29Å; E1037-K1041 WeakPolarHBondContact O-CG 3.34Å; E1037-K1041 WeakPolarHBondContact OE1-CE 3.35Å; E1037-K1041 IonicContact OE1-NZ 2.61Å; E1037-K1041 PolarHBondContact OE1-NZ 3.5Å; I1038-K1041 PolarHBondContact O-N 2.94Å |
| 1042 | T | 34.3 | Very low | 32.5 | Very low | 105 Ų | 105 | 115.4 Ų | 115.4 | 64% | 0.644 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -100 | -10.5 | 177 | 44.2 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1043 | T | 30.3 | Very low | 32 | Very low | 92 Ų | 92 | 117 Ų | 117 | 56% | 0.564 | 67% | 0.666 | S | S | * | * | trans | -104.8 | 57.1 | -171.9 | 60.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1044 | N | 26.7 | Very low | 31.6 | Very low | 149 Ų | 149 | 121.2 Ų | 121.2 | 80% | 0.797 | 68% | 0.68 | S | S | * | * | trans | -154.9 | 77.9 | 174.6 | -100.1 | -34.6 | 0 | 0 | 0 | 112.8 | ||||
| 1045 | C | 25.3 | Very low | 31.2 | Very low | 132 Ų | 132 | 120.6 Ų | 120.6 | 89% | 0.892 | 69% | 0.686 | S | S | * | * | trans | -175.3 | 94.5 | 157.2 | -102.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1046 | T | 27.4 | Very low | 30.5 | Very low | 147 Ų | 147 | 121 Ų | 121 | 90% | 0.902 | 70% | 0.695 | S | S | * | * | trans | -144.3 | 104.6 | 162.2 | 49 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1047 | S | 33.6 | Very low | 29.9 | Very low | 130 Ų | 130 | 124.7 Ų | 124.7 | 91% | 0.909 | 73% | 0.726 | S | S | * | * | trans | -148.5 | 149.5 | 166.2 | 58.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1048 | S | 28.2 | Very low | 29.5 | Very low | 114 Ų | 114 | 124 Ų | 124 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | trans | -116.3 | 133.1 | -165.4 | 50 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1049 | S | 30.7 | Very low | 29 | Very low | 115 Ų | 115 | 125.1 Ų | 125.1 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | 177 | 139.5 | 136.3 | 37.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1050 | S | 28.2 | Very low | 28.7 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | 44 | 119.1 | 143.9 | -53.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1051 | P | 29.8 | Very low | 28.2 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -94.7 | 141.3 | 170.6 | 36 | -31.7 | 0 | 0 | 0 | 113.6 | ||||
| 1052 | H | 26.2 | Very low | 27.8 | Very low | 177 Ų | 177 | 128.1 Ų | 128.1 | 82% | 0.819 | 78% | 0.783 | S | S | * | * | trans | -169.8 | 147.4 | 145.9 | -123.6 | -84.6 | 0 | 0 | 0 | 113.6 | ||||
| 1053 | L | 28 | Very low | 27.3 | Very low | 140 Ų | 140 | 130 Ų | 130 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | 69.1 | 111.8 | 164.1 | -54.4 | 177.2 | 0 | 0 | 0 | 119.9 | ||||
| 1054 | L | 26 | Very low | 27.1 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | 53.6 | 145.5 | 141.1 | -76.6 | 70.4 | 0 | 0 | 0 | 120.7 | ||||
| 1055 | S | 25.8 | Very low | 27 | Very low | 88 Ų | 88 | 137.4 Ų | 137.4 | 62% | 0.615 | 80% | 0.802 | S | S | * | * | cis | -174.4 | 139 | -21.4 | 48.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1056 | N | 25.3 | Very low | 27 | Very low | 155 Ų | 155 | 141.4 Ų | 141.4 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | 55.6 | 111.3 | 161.2 | -58.3 | 5.4 | 0 | 0 | 0 | 119.2 | ||||
| 1057 | C | 24.9 | Very low | 26.8 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | -162.8 | 163.6 | 100.5 | -100.4 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1058 | S | 28 | Very low | 26.4 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | trans | -120.2 | -175.2 | -165.1 | 63.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1059 | D | 27.4 | Very low | 26.2 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | trans | 85.8 | 126.7 | 168.3 | -53.5 | 7.4 | 0 | 0 | 0 | 115.1 | ||||
| 1060 | S | 27.1 | Very low | 25.9 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | cis | -158.6 | 163.5 | -6.8 | 53.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1061 | S | 25.6 | Very low | 25.7 | Very low | 120 Ų | 120 | 142 Ų | 142 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 75.3 | 25.7 | 165.1 | 73 | 0 | 0 | 0 | 0 | 120.7 | ||
| 1062 | I | 24.7 | Very low | 25.4 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | trans | -127.9 | 128 | 147.9 | -59.1 | -179.6 | 0 | 0 | 0 | 108.9 | ||||
| 1063 | N | 24.5 | Very low | 25.2 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | trans | -154.1 | 86.2 | 166.2 | -109.8 | -17.6 | 0 | 0 | 0 | 110.8 | ||||
| 1064 | Y | 26.3 | Very low | 25 | Very low | 215 Ų | 215 | 136.6 Ų | 136.6 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | trans | -62.3 | 145.2 | 142.4 | -83.3 | -112 | 0 | 0 | 0 | 107.7 | ||||
| 1065 | F | 24.2 | Very low | 24.8 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 79% | 0.789 | 76% | 0.755 | S | S | * | * | trans | -150.3 | 126.2 | 146.2 | -107.5 | -69.7 | 0 | 0 | 0 | 113.2 | ||||
| 1066 | Y | 24.3 | Very low | 24.9 | Very low | 217 Ų | 217 | 139.1 Ų | 139.1 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | trans | -87.6 | 135 | 162.8 | -129.1 | -99.9 | 0 | 0 | 0 | 107.3 | ||||
| 1067 | S | 23.1 | Very low | 24.8 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -132.6 | 90.7 | 177.1 | -67.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1068 | A | 26.7 | Very low | 24.8 | Very low | 86 Ų | 86 | 136.8 Ų | 136.8 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | -126.7 | 110.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1069 | S | 23 | Very low | 24.8 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | trans | -142.3 | 135.4 | 174.7 | -68.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1070 | N | 25.8 | Very low | 24.8 | Very low | 118 Ų | 118 | 137 Ų | 137 | 63% | 0.631 | 74% | 0.736 | S | S | * | * | trans | -82.6 | 146.3 | -179.8 | -55.1 | -14.2 | 0 | 0 | 0 | 111.3 | E16 | E16-N1070 PolarHBondContact OE2-ND2 3.5Š| ||
| 1071 | E | 23.3 | Very low | 24.8 | Very low | 191 Ų | 191 | 138.5 Ų | 138.5 | 89% | 0.893 | 74% | 0.735 | S | S | * | * | trans | -139.2 | 87.9 | 143.1 | -77.1 | -149.2 | 141 | 0 | 0 | 112.7 | ||||
| 1072 | K | 22.7 | Very low | 24.9 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 46% | 0.457 | 74% | 0.738 | S | S | . | * | 31.6 | 86.1 | 112.7 | -70.1 | -173.8 | 138 | 144.7 | 0 | 120.5 | E16 Q17 | E16-K1072 VanDerWaalsContact CD-NZ 3.32Å; E16-K1072 WeakPolarHBondContact OE1-CE 3.33Å; E16-K1072 IonicContact OE1-NZ 3.03Å; E16-K1072 PolarHBondContact OE1-NZ 3.22Å; E16-K1072 WeakPolarHBondContact OE2-CE 3.31Å; E16-K1072 IonicContact OE2-NZ 3.46Å; Q17-K1072 HydrophobicContact CG-CB 4.03Å; Q17-K1072 HydrophobicContact CG-CD 4.21Å; Q17-K1072 HydrophobicContact CG-CG 3.65Å; Q17-K1072 VanDerWaalsContact NE2-CB 3.28Å; Q17-K1072 PolarHBondContact NE2-O 3.03Å; Q17-K1072 VanDerWaalsContact OE1-CA 3.27Å | |||
| 1073 | S | 23.7 | Very low | 25 | Very low | 60 Ų | 60 | 142.5 Ų | 142.5 | 42% | 0.42 | 74% | 0.74 | S | S | . | * | trans | 56.2 | 171.7 | 154.6 | 75.9 | 0 | 0 | 0 | 0 | 122.5 | Q17 | Q17-S1073 VanDerWaalsContact CD-CB 3.47Å; Q17-S1073 PolarHBondContact NE2-OG 3.26Å | ||
| 1074 | Q | 23.1 | Very low | 25.2 | Very low | 158 Ų | 158 | 143.5 Ų | 143.5 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | trans | 76.1 | 105.3 | 151.2 | -78.6 | 172.9 | -9.4 | 0 | 0 | 114.3 | ||||
| 1075 | Q | 22 | Very low | 25.2 | Very low | 190 Ų | 190 | 139.1 Ų | 139.1 | 89% | 0.888 | 74% | 0.74 | S | S | * | * | trans | -56.4 | 159.3 | 158.9 | -49.2 | 171.3 | -64.4 | 0 | 0 | 109.6 | ||||
| 1076 | P | 28.2 | Very low | 25.5 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | cis | -140.8 | 161 | 12.1 | 40.6 | -22.6 | 0 | 0 | 0 | 117.4 | ||||
| 1077 | S | 23.3 | Very low | 25.7 | Very low | 96 Ų | 96 | 133 Ų | 133 | 67% | 0.671 | 74% | 0.735 | S | S | * | * | trans | 68 | 150.1 | 134.8 | 71.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1078 | I | 25 | Very low | 25.9 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | trans | 84.3 | 94.8 | 153.7 | -64.6 | 155 | 0 | 0 | 0 | 118.2 | ||||
| 1079 | N | 26.6 | Very low | 25.9 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | 63.1 | 143.3 | 124 | -82.8 | 50.2 | 0 | 0 | 0 | 126.2 | |||||
| 1080 | D | 27.5 | Very low | 26.1 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 63% | 0.631 | 74% | 0.737 | S | S | * | * | trans | 74.1 | 100 | 140.7 | -67.3 | -42.9 | 0 | 0 | 0 | 122.6 | ||||
| 1081 | N | 27 | Very low | 26 | Very low | 135 Ų | 135 | 134.2 Ų | 134.2 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | 41.8 | 123 | 117.1 | -63.1 | -54.9 | 0 | 0 | 0 | 120.1 | |||||
| 1082 | F | 27.8 | Very low | 26.2 | Very low | 201 Ų | 201 | 135.5 Ų | 135.5 | 88% | 0.882 | 74% | 0.74 | S | S | * | * | -167.5 | 144.9 | 118.2 | -114.6 | -76.7 | 0 | 0 | 0 | 112.8 | |||||
| 1083 | N | 27.2 | Very low | 26.6 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -110.9 | 154.8 | 173.5 | -93.1 | -25.8 | 0 | 0 | 0 | 110.8 | ||||
| 1084 | L | 27.7 | Very low | 27.1 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | trans | -163.6 | 149 | 158.3 | -111 | 155.2 | 0 | 0 | 0 | 112.8 | ||||
| 1085 | T | 27 | Very low | 27.5 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -144.4 | 146 | -168.8 | 51.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 1086 | V | 30.5 | Very low | 27.6 | Very low | 141 Ų | 141 | 141 Ų | 141 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | trans | -147.2 | 151.4 | 168.4 | -171.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1087 | N | 28.1 | Very low | 27.6 | Very low | 129 Ų | 129 | 144 Ų | 144 | 69% | 0.69 | 79% | 0.791 | S | S | * | * | trans | -115.6 | 167.3 | -173.2 | -53.3 | -26.1 | 0 | 0 | 0 | 113.2 | ||||
| 1088 | D | 27.6 | Very low | 27.8 | Very low | 154 Ų | 154 | 144.4 Ų | 144.4 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | 152.6 | 124.5 | 114.7 | -80.5 | -30.2 | 0 | 0 | 0 | 117.8 | |||||
| 1089 | A | 26.6 | Very low | 27.9 | Very low | 100 Ų | 100 | 144.4 Ų | 144.4 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | 40.4 | 130.1 | 144.9 | 0 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 1090 | A | 26.8 | Very low | 27.9 | Very low | 91 Ų | 91 | 145.5 Ų | 145.5 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | 146 | 116.1 | 108.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 1091 | T | 24.5 | Very low | 27.9 | Very low | 121 Ų | 121 | 143 Ų | 143 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | 72.8 | 100.3 | 130 | -52.5 | 0 | 0 | 0 | 0 | 124 | ||||
| 1092 | Y | 27.2 | Very low | 28.3 | Very low | 217 Ų | 217 | 144.6 Ų | 144.6 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | 45.6 | 169.6 | 134 | -70.2 | -76 | 0 | 0 | 0 | 123.7 | ||||
| 1093 | P | 31.7 | Very low | 28.2 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | cis | -130.9 | -179.3 | -33.6 | 37.3 | -19.2 | 0 | 0 | 0 | 114.2 | ||||
| 1094 | P | 34.6 | Very low | 28.5 | Very low | 124 Ų | 124 | 143.6 Ų | 143.6 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | trans | -106.9 | 170.7 | -174.5 | 40.3 | -35.4 | 0 | 0 | 0 | 117.3 | ||||
| 1095 | Q | 30.7 | Very low | 28.6 | Very low | 204 Ų | 204 | 140 Ų | 140 | 95% | 0.953 | 79% | 0.793 | S | S | * | * | trans | -145.8 | 153.3 | 167 | -77.7 | -169.1 | -36.3 | 0 | 0 | 112.8 | ||||
| 1096 | E | 24.6 | Very low | 28.6 | Very low | 188 Ų | 188 | 141.4 Ų | 141.4 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -91.7 | 164.2 | 173.6 | -58 | -177.6 | 122.1 | 0 | 0 | 113.2 | ||||
| 1097 | L | 28.7 | Very low | 28.4 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | trans | -156.9 | 153.4 | 140.8 | -139.5 | 77.9 | 0 | 0 | 0 | 112.5 | ||||
| 1098 | S | 27.3 | Very low | 28.2 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | trans | -140.4 | 153.6 | 175.3 | 62 | 0 | 0 | 0 | 0 | 111 | ||||
| 1099 | L | 26.6 | Very low | 28 | Very low | 148 Ų | 148 | 141.2 Ų | 141.2 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | trans | 174.1 | 159.2 | 168.3 | -88.8 | 134.1 | 0 | 0 | 0 | 108.5 | ||||
| 1100 | I | 26.7 | Very low | 27.9 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | cis | -173.2 | 155.5 | -41.8 | -121.1 | 172.4 | 0 | 0 | 0 | 108.8 | ||||
| 1101 | G | 27.8 | Very low | 27.9 | Very low | 64 Ų | 64 | 144.4 Ų | 144.4 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | trans | 98.4 | 150.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1102 | N | 33.8 | Very low | 28 | Very low | 170 Ų | 170 | 147.4 Ų | 147.4 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | cis | -150 | 174.9 | 1.5 | -125.1 | -9.3 | 0 | 0 | 0 | 112.8 | ||||
| 1103 | K | 27.5 | Very low | 27.8 | Very low | 181 Ų | 181 | 140.7 Ų | 140.7 | 79% | 0.787 | 80% | 0.795 | S | S | * | * | trans | -97 | 164.7 | -173 | -56.6 | 171.5 | -179.4 | 175.1 | 0 | 112.9 | ||||
| 1104 | D | 32.9 | Very low | 27.6 | Very low | 151 Ų | 151 | 143.4 Ų | 143.4 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | -178.7 | 138.4 | 106.7 | -91.7 | -19.7 | 0 | 0 | 0 | 117.8 | |||||
| 1105 | S | 29.4 | Very low | 27.5 | Very low | 91 Ų | 91 | 144 Ų | 144 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | trans | 46.3 | 111 | 149.8 | 68.3 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1106 | N | 26.8 | Very low | 27.3 | Very low | 152 Ų | 152 | 141.1 Ų | 141.1 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | 76.4 | 147.3 | 120.2 | -57.1 | -13.4 | 0 | 0 | 0 | 123.5 | |||||
| 1107 | N | 25.7 | Very low | 27.5 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | trans | 74.7 | 74.3 | 162.5 | -63.3 | -7.7 | 0 | 0 | 0 | 120.5 | ||||
| 1108 | V | 25.5 | Very low | 27.5 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | trans | -143.5 | 152.2 | 141.4 | 174.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1109 | T | 23.4 | Very low | 27.7 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | trans | -112.8 | 152.3 | 177.4 | -45.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1110 | L | 23.8 | Very low | 27.9 | Very low | 155 Ų | 155 | 133 Ų | 133 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | trans | 78.8 | 158.8 | 178.9 | -50.4 | 168.2 | 0 | 0 | 0 | 114.7 | ||||
| 1111 | P | 25.9 | Very low | 28 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 67% | 0.669 | 73% | 0.729 | S | S | * | * | cis | -137.6 | 160.2 | -42.9 | 37.5 | -22.7 | 0 | 0 | 0 | 114.7 | A1113 | P1111-A1113 PolarHBondContact O-N 3.01Š| ||
| 1112 | L | 26.5 | Very low | 28.2 | Very low | 184 Ų | 184 | 133.1 Ų | 133.1 | 96% | 0.963 | 74% | 0.737 | S | S | * | * | trans | 16.8 | 72.7 | 146.8 | -161.7 | 78.8 | 0 | 0 | 0 | 118.7 | ||||
| 1113 | A | 24.9 | Very low | 28 | Very low | 75 Ų | 75 | 129.7 Ų | 129.7 | 62% | 0.62 | 72% | 0.722 | S | S | * | * | trans | -150.9 | 94.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | P1111 | P1111-A1113 PolarHBondContact O-N 3.01Š| ||
| 1114 | D | 27.3 | Very low | 28.2 | Very low | 170 Ų | 170 | 125.9 Ų | 125.9 | 91% | 0.909 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -149.2 | 14.6 | 167.6 | -102.6 | -38 | 0 | 0 | 0 | 113.4 | ||
| 1115 | I | 31 | Very low | 28 | Very low | 138 Ų | 138 | 125 Ų | 125 | 71% | 0.708 | 72% | 0.72 | S | S | * | * | trans | -125.7 | 55 | -180 | -43.1 | 179.2 | 0 | 0 | 0 | 109.5 | ||||
| 1116 | H | 27 | Very low | 28 | Very low | 142 Ų | 142 | 124.5 Ų | 124.5 | 66% | 0.657 | 72% | 0.721 | S | S | * | * | trans | -130.6 | 6.6 | -172.4 | -108.2 | -73.3 | 0 | 0 | 0 | 115.7 | L1118 | H1116-L1118 PolarHBondContact O-N 3.04Š| ||
| 1117 | A | 28.4 | Very low | 28.3 | Very low | 62 Ų | 62 | 122 Ų | 122 | 51% | 0.512 | 72% | 0.722 | S | S | . | * | trans | -93.5 | 83.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1040 | L1040-A1117 HydrophobicContact CD1-CB 3.91Å; L1040-A1117 HydrophobicContact CD2-CB 4.08Å | ||
| 1118 | L | 28.5 | Very low | 29 | Very low | 75 Ų | 75 | 119.5 Ų | 119.5 | 39% | 0.393 | 71% | 0.707 | S | S | . | * | trans | 178.1 | 81.7 | 154.5 | -101 | 161.7 | 0 | 0 | 0 | 109.8 | Q1036 M1039 L1040 H1116 | Q1036-L1118 HydrophobicContact CB-CD1 4.14Å; Q1036-L1118 HydrophobicContact CG-CD1 3.76Å; M1039-L1118 HydrophobicContact CE-CD1 3.69Å; M1039-L1118 HydrophobicContact CE-CD2 3.59Å; M1039-L1118 HydrophobicContact CE-CG 4.31Å; L1040-L1118 HydrophobicContact CD2-CG 4.31Å; H1116-L1118 PolarHBondContact O-N 3.04Å | ||
| 1119 | K | 32.2 | Very low | 29.8 | Very low | 174 Ų | 174 | 115.9 Ų | 115.9 | 76% | 0.757 | 69% | 0.687 | S | S | * | * | trans | -131.4 | 88.8 | 179 | -164.2 | 175.9 | -175.3 | -177.7 | 0 | 110 | ||||
| 1120 | L | 32 | Very low | 30.9 | Very low | 130 Ų | 130 | 111 Ų | 111 | 68% | 0.681 | 66% | 0.657 | S | S | * | * | trans | -58.7 | 139.5 | 176.2 | -115.3 | 69.8 | 0 | 0 | 0 | 110.3 | T1122 | L1120-T1122 PolarHBondContact O-N 3.13Š| ||
| 1121 | P | 28.5 | Very low | 32.3 | Very low | 88 Ų | 88 | 107.3 Ų | 107.3 | 57% | 0.571 | 64% | 0.642 | S | S | * | * | trans | -72.6 | 121.4 | -174.7 | 28.1 | -33.7 | 0 | 0 | 0 | 111.3 | T1123 | P1121-T1123 HydrophobicContact CB-CG2 4.38Å; P1121-T1123 PolarHBondContact O-N 3.26Å | ||
| 1122 | T | 30.4 | Very low | 33.7 | Very low | 135 Ų | 135 | 106.9 Ų | 106.9 | 83% | 0.828 | 64% | 0.64 | S | S | * | * | trans | -77.4 | 69.1 | 172 | 52.3 | 0 | 0 | 0 | 0 | 110.8 | L1120 | L1120-T1122 PolarHBondContact O-N 3.13Š| ||
| 1123 | T | 30.9 | Very low | 35.8 | Very low | 97 Ų | 97 | 101.9 Ų | 101.9 | 60% | 0.595 | 61% | 0.614 | S | S | * | * | trans | -96.3 | 144.9 | 174.6 | 47 | 0 | 0 | 0 | 0 | 111.8 | P1121 | P1121-T1123 HydrophobicContact CB-CG2 4.38Å; P1121-T1123 PolarHBondContact O-N 3.26Å | ||
| 1124 | T | 31.2 | Very low | 38.1 | Very low | 102 Ų | 102 | 98.7 Ų | 98.7 | 63% | 0.626 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -58.9 | 132.2 | -170.1 | 45.1 | 0 | 0 | 0 | 0 | 115.9 | A1126 | T1124-A1126 VanDerWaalsContact C-N 3.31Å; T1124-A1126 PolarHBondContact O-N 2.9Å |
| 1125 | S | 29.4 | Very low | 40.9 | Very low | 132 Ų | 132 | 91.3 Ų | 91.3 | 92% | 0.923 | 55% | 0.548 | S | S | * | . | S | Bend | trans | 53.4 | 33.7 | 138.7 | -165 | 0 | 0 | 0 | 0 | 117.8 | ||
| 1126 | A | 29.2 | Very low | 43.5 | Very low | 80 Ų | 80 | 88.7 Ų | 88.7 | 66% | 0.661 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -129.3 | 140.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | T1124 I1128 | T1124-A1126 VanDerWaalsContact C-N 3.31Å; T1124-A1126 PolarHBondContact O-N 2.9Å; A1126-I1128 PolarHBondContact O-N 3.04Å |
| 1127 | A | 33.3 | Very low | 46.3 | Very low | 100 Ų | 100 | 86.7 Ų | 86.7 | 83% | 0.826 | 52% | 0.523 | S | S | * | . | trans | -68.5 | 102.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | P1129 | A1127-P1129 VanDerWaalsContact O-CD 3.24Å; A1127-P1129 WeakPolarHBondContact O-CD 3.29Å | ||
| 1128 | I | 39.6 | Very low | 49.2 | Very low | 103 Ų | 103 | 83.8 Ų | 83.8 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | trans | -68.2 | 111.7 | 162.2 | -58.7 | 175.8 | 0 | 0 | 0 | 105.3 | A1126 | A1126-I1128 PolarHBondContact O-N 3.04Š| ||
| 1129 | P | 42 | Very low | 52.2 | Low | 68 Ų | 68 | 84.8 Ų | 84.8 | 44% | 0.442 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -62 | 142.3 | 173.6 | 28.5 | -33.9 | 0 | 0 | 0 | 107.9 | A1127 Y1410 | A1127-P1129 VanDerWaalsContact O-CD 3.24Å; A1127-P1129 WeakPolarHBondContact O-CD 3.29Å; P1129-Y1410 HydrophobicContact CB-CD2 4.15Å; P1129-Y1410 HydrophobicContact CB-CE2 4.26Å; P1129-Y1410 HydrophobicContact CB-CG 4.33Å |
| 1130 | P | 46.3 | Very low | 54.8 | Low | 18 Ų | 18 | 79.5 Ų | 79.5 | 12% | 0.117 | 48% | 0.479 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 146.4 | 173.1 | 25.3 | -31.9 | 0 | 0 | 0 | 109.2 | G1407 | P1130-G1407 VanDerWaalsContact CG-CA 3.43Š|
| 1131 | P | 53.1 | Low | 57.6 | Low | 77 Ų | 77 | 73.3 Ų | 73.3 | 50% | 0.5 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -54 | 134 | 178.5 | 23.3 | -33.3 | 0 | 0 | 0 | 109.1 | D1133 A1134 | P1131-D1133 PolarHBondContact O-N 3.11Å; P1131-A1134 WeakPolarHBondContact O-CB 3.47Å; P1131-A1134 PolarHBondContact O-N 3.01Å |
| 1132 | P | 56.3 | Low | 60.6 | Low | 95 Ų | 95 | 69.3 Ų | 69.3 | 62% | 0.617 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -33 | -169 | 20.1 | -32.1 | 0 | 0 | 0 | 112.5 | A1134 L1135 E1136 | P1132-A1134 PolarHBondContact O-N 3.23Å; P1132-A1134 VanDerWaalsContact O-N 3.12Å; P1132-L1135 PolarHBondContact O-N 3.06Å; P1132-L1135 VanDerWaalsContact O-N 3.1Å; P1132-E1136 PolarHBondContact O-N 3.34Å |
| 1133 | D | 69.7 | Low | 63.3 | Low | 78 Ų | 78 | 66.4 Ų | 66.4 | 42% | 0.417 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -41.8 | -42.5 | 170.1 | -42.5 | -8.1 | 0 | 0 | 0 | 113 | P1131 L1135 E1136 F1137 | P1131-D1133 PolarHBondContact O-N 3.11Å; D1133-L1135 VanDerWaalsContact C-N 3.34Å; D1133-L1135 PolarHBondContact O-N 3.03Å; D1133-E1136 PolarHBondContact O-N 3.4Å; D1133-E1136 VanDerWaalsContact O-N 3.09Å; D1133-F1137 HydrophobicContact CB-CE2 4.2Å; D1133-F1137 WeakPolarHBondContact O-CD2 3.41Å; D1133-F1137 PolarHBondContact O-N 2.69Å |
| 1134 | A | 74.4 | Confident | 65.9 | Low | 9 Ų | 9 | 63.4 Ų | 63.4 | 7% | 0.074 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.4 | -34.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | P1131 P1132 I1138 Y1205 | P1131-A1134 WeakPolarHBondContact O-CB 3.47Å; P1131-A1134 PolarHBondContact O-N 3.01Å; P1132-A1134 PolarHBondContact O-N 3.23Å; P1132-A1134 VanDerWaalsContact O-N 3.12Å; A1134-I1138 WeakPolarHBondContact O-CG1 3.46Å; A1134-I1138 PolarHBondContact O-N 2.68Å; A1134-Y1205 HydrophobicContact CB-CE2 4.23Å |
| 1135 | L | 85.1 | Confident | 68.6 | Low | 14 Ų | 14 | 58.9 Ų | 58.9 | 7% | 0.073 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -76.2 | -30.7 | 173.7 | -65.6 | 175 | 0 | 0 | 0 | 111.3 | P1132 D1133 I1138 R1139 V1371 Y1410 Y1411 | P1132-L1135 PolarHBondContact O-N 3.06Å; P1132-L1135 VanDerWaalsContact O-N 3.1Å; D1133-L1135 VanDerWaalsContact C-N 3.34Å; D1133-L1135 PolarHBondContact O-N 3.03Å; L1135-I1138 HydrophobicContact CD2-CD1 4.43Å; L1135-I1138 WeakPolarHBondContact O-CB 3.39Å; L1135-I1138 PolarHBondContact O-N 3.13Å; L1135-R1139 PolarHBondContact O-N 3.27Å; L1135-V1371 HydrophobicContact CB-CG1 4.37Å; L1135-V1371 HydrophobicContact CD2-CG1 4.05Å; L1135-Y1410 HydrophobicContact CD1-CD1 4.33Å; L1135-Y1411 HydrophobicContact CD1-CD2 4.08Å |
| 1136 | E | 85.2 | Confident | 71.3 | Confident | 83 Ų | 83 | 53.4 Ų | 53.4 | 39% | 0.388 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -72.8 | -33.1 | 176.1 | -165.2 | 54 | -128.3 | 0 | 0 | 112.4 | P1132 D1133 I1138 R1139 T1140 | P1132-E1136 PolarHBondContact O-N 3.34Å; D1133-E1136 PolarHBondContact O-N 3.4Å; D1133-E1136 VanDerWaalsContact O-N 3.09Å; E1136-I1138 VanDerWaalsContact C-N 3.33Å; E1136-I1138 PolarHBondContact O-N 2.82Å; E1136-R1139 PolarHBondContact O-N 3Å; E1136-R1139 WeakPolarHBondContact OE1-CD 3.47Å; E1136-R1139 IonicContact OE2-CZ 2.73Å; E1136-R1139 IonicContact OE2-NE 3.22Å; E1136-R1139 IonicContact OE2-NH1 2.79Å; E1136-R1139 PolarHBondContact OE2-NH1 3.18Å; E1136-T1140 VanDerWaalsContact O-CB 3.27Å; E1136-T1140 WeakPolarHBondContact O-CB 3.43Å; E1136-T1140 PolarHBondContact O-N 2.91Å; E1136-T1140 PolarHBondContact O-OG1 2.94Å |
| 1137 | F | 86.2 | Confident | 73.9 | Confident | 101 Ų | 101 | 52.4 Ų | 52.4 | 44% | 0.443 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 168 | -75.3 | -66.8 | 0 | 0 | 0 | 112.1 | D1133 T1140 A1141 P1204 | D1133-F1137 HydrophobicContact CB-CE2 4.2Å; D1133-F1137 WeakPolarHBondContact O-CD2 3.41Å; D1133-F1137 PolarHBondContact O-N 2.69Å; F1137-T1140 PolarHBondContact O-N 2.95Å; F1137-A1141 WeakPolarHBondContact O-CB 3.1Å; F1137-A1141 PolarHBondContact O-N 3.04Å; F1137-P1204 HydrophobicContact CB-CG 4.03Å; F1137-P1204 HydrophobicContact CD2-CB 4.43Å; F1137-P1204 HydrophobicContact CD2-CG 3.83Å; F1137-P1204 HydrophobicContact CG-CG 4.08Å |
| 1138 | I | 90.4 | Very high | 76.2 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.4 | -47.7 | 174.2 | -67.4 | 171.5 | 0 | 0 | 0 | 110.3 | A1134 L1135 E1136 T1140 A1141 E1142 L1203 Y1205 V1371 L1378 | A1134-I1138 WeakPolarHBondContact O-CG1 3.46Å; A1134-I1138 PolarHBondContact O-N 2.68Å; L1135-I1138 HydrophobicContact CD2-CD1 4.43Å; L1135-I1138 WeakPolarHBondContact O-CB 3.39Å; L1135-I1138 PolarHBondContact O-N 3.13Å; E1136-I1138 VanDerWaalsContact C-N 3.33Å; E1136-I1138 PolarHBondContact O-N 2.82Å; I1138-T1140 VanDerWaalsContact C-N 3.32Å; I1138-T1140 PolarHBondContact O-N 3.05Å; I1138-A1141 PolarHBondContact O-N 3.46Å; I1138-E1142 WeakPolarHBondContact O-CG 3.28Å; I1138-E1142 PolarHBondContact O-N 3.42Å; I1138-L1203 HydrophobicContact CG1-CD2 3.97Å; I1138-Y1205 HydrophobicContact CD1-CE2 4.16Å; I1138-V1371 HydrophobicContact CG2-CG1 4.47Å; I1138-L1378 HydrophobicContact CD1-CD2 4.24Å |
| 1139 | R | 91 | Very high | 78.1 | Confident | 95 Ų | 95 | 45 Ų | 45 | 36% | 0.358 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56.8 | -44.4 | 175.5 | -170.9 | 174.6 | -74.9 | 148 | -10.5 | 112.1 | L1135 E1136 E1142 S1143 V1371 Y1411 | L1135-R1139 PolarHBondContact O-N 3.27Å; E1136-R1139 PolarHBondContact O-N 3Å; E1136-R1139 WeakPolarHBondContact OE1-CD 3.47Å; E1136-R1139 IonicContact OE2-CZ 2.73Å; E1136-R1139 IonicContact OE2-NE 3.22Å; E1136-R1139 IonicContact OE2-NH1 2.79Å; E1136-R1139 PolarHBondContact OE2-NH1 3.18Å; R1139-E1142 PolarHBondContact O-N 2.87Å; R1139-S1143 VanDerWaalsContact O-CB 3.23Å; R1139-S1143 WeakPolarHBondContact O-CB 3.36Å; R1139-S1143 PolarHBondContact O-N 3.38Å; R1139-V1371 HydrophobicContact CB-CG2 3.86Å; R1139-V1371 HydrophobicContact CG-CG2 4.13Å; R1139-Y1411 PolarHBondContact NH2-OH 3.27Å |
| 1140 | T | 87.6 | Confident | 79.9 | Confident | 63 Ų | 63 | 48.9 Ų | 48.9 | 39% | 0.387 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 179.2 | -63.2 | 0 | 0 | 0 | 0 | 112.1 | E1136 F1137 I1138 T1144 | E1136-T1140 VanDerWaalsContact O-CB 3.27Å; E1136-T1140 WeakPolarHBondContact O-CB 3.43Å; E1136-T1140 PolarHBondContact O-N 2.91Å; E1136-T1140 PolarHBondContact O-OG1 2.94Å; F1137-T1140 PolarHBondContact O-N 2.95Å; I1138-T1140 VanDerWaalsContact C-N 3.32Å; I1138-T1140 PolarHBondContact O-N 3.05Å; T1140-T1144 WeakPolarHBondContact O-CB 3.33Å; T1140-T1144 PolarHBondContact O-N 3.37Å; T1140-T1144 PolarHBondContact O-OG1 3.2Å |
| 1141 | A | 89.4 | Confident | 81.2 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1137 I1138 T1144 I1145 K1202 L1203 | F1137-A1141 WeakPolarHBondContact O-CB 3.1Å; F1137-A1141 PolarHBondContact O-N 3.04Å; I1138-A1141 PolarHBondContact O-N 3.46Å; A1141-T1144 WeakPolarHBondContact O-CB 3.33Å; A1141-T1144 PolarHBondContact O-N 2.84Å; A1141-I1145 PolarHBondContact O-N 3.37Å; A1141-I1145 VanDerWaalsContact O-N 3.17Å; A1141-K1202 HydrophobicContact CB-CB 4.18Å; A1141-L1203 HydrophobicContact CB-CD2 3.9Å |
| 1142 | E | 92.1 | Very high | 82.1 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 1% | 0.014 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.1 | -37 | 177.8 | -67 | -66.6 | 161.6 | 0 | 0 | 112.8 | I1138 R1139 I1145 S1146 W1199 P1370 L1373 G1374 K1377 | I1138-E1142 WeakPolarHBondContact O-CG 3.28Å; I1138-E1142 PolarHBondContact O-N 3.42Å; R1139-E1142 PolarHBondContact O-N 2.87Å; E1142-I1145 PolarHBondContact O-N 3.49Å; E1142-S1146 VanDerWaalsContact O-CB 3.23Å; E1142-S1146 WeakPolarHBondContact O-CB 3.23Å; E1142-S1146 PolarHBondContact O-N 3.26Å; E1142-S1146 PolarHBondContact O-OG 3.43Å; E1142-W1199 PolarHBondContact OE1-NE1 3.37Å; E1142-P1370 HydrophobicContact CB-CB 4.11Å; E1142-P1370 WeakPolarHBondContact CG-O 3.18Å; E1142-L1373 WeakPolarHBondContact OE2-CD2 3.38Å; E1142-G1374 WeakPolarHBondContact OE1-CA 3.39Å; E1142-K1377 WeakPolarHBondContact OE1-CD 3.4Å; E1142-K1377 WeakPolarHBondContact OE1-CE 3.49Å; E1142-K1377 IonicContact OE1-NZ 3.17Å; E1142-K1377 PolarHBondContact OE1-NZ 3.12Å; E1142-K1377 IonicContact OE2-NZ 2.78Å; E1142-K1377 PolarHBondContact OE2-NZ 2.84Å |
| 1143 | S | 87.9 | Confident | 82.8 | Confident | 74 Ų | 74 | 46.8 Ų | 46.8 | 52% | 0.517 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.5 | -41.5 | 172.3 | -172.4 | 0 | 0 | 0 | 0 | 111.5 | R1139 I1145 S1146 S1147 | R1139-S1143 VanDerWaalsContact O-CB 3.23Å; R1139-S1143 WeakPolarHBondContact O-CB 3.36Å; R1139-S1143 PolarHBondContact O-N 3.38Å; S1143-I1145 PolarHBondContact O-N 2.88Å; S1143-S1146 PolarHBondContact O-N 3.25Å; S1143-S1147 WeakPolarHBondContact O-CB 3.27Å; S1143-S1147 PolarHBondContact O-N 2.95Å |
| 1144 | T | 85.3 | Confident | 82.8 | Confident | 34 Ų | 34 | 46.4 Ų | 46.4 | 21% | 0.209 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.8 | -50 | 176.1 | -56.2 | 0 | 0 | 0 | 0 | 111.4 | T1140 A1141 S1147 R1148 K1202 | T1140-T1144 WeakPolarHBondContact O-CB 3.33Å; T1140-T1144 PolarHBondContact O-N 3.37Å; T1140-T1144 PolarHBondContact O-OG1 3.2Å; A1141-T1144 WeakPolarHBondContact O-CB 3.33Å; A1141-T1144 PolarHBondContact O-N 2.84Å; T1144-S1147 PolarHBondContact O-N 2.89Å; T1144-R1148 PolarHBondContact O-N 2.72Å; T1144-K1202 PolarHBondContact OG1-NZ 2.9Å |
| 1145 | I | 87.7 | Confident | 82.4 | Confident | 8 Ų | 8 | 46.1 Ų | 46.1 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.5 | -40.7 | 178.5 | -58 | -52.2 | 0 | 0 | 0 | 111.1 | A1141 E1142 S1143 S1147 R1148 R1149 D1195 I1198 W1199 | A1141-I1145 PolarHBondContact O-N 3.37Å; A1141-I1145 VanDerWaalsContact O-N 3.17Å; E1142-I1145 PolarHBondContact O-N 3.49Å; S1143-I1145 PolarHBondContact O-N 2.88Å; I1145-S1147 VanDerWaalsContact C-N 3.29Å; I1145-S1147 PolarHBondContact O-N 3.41Å; I1145-R1148 PolarHBondContact O-N 3Å; I1145-R1149 PolarHBondContact O-N 3.03Å; I1145-D1195 HydrophobicContact CD1-CB 4.06Å; I1145-D1195 WeakPolarHBondContact CD1-O 3.47Å; I1145-D1195 HydrophobicContact CG2-CB 4.33Å; I1145-I1198 HydrophobicContact CD1-CG2 4.27Å; I1145-W1199 HydrophobicContact CD1-CB 4.2Å; I1145-W1199 HydrophobicContact CG1-CB 3.99Å |
| 1146 | S | 86.2 | Confident | 81.4 | Confident | 17 Ų | 17 | 48.5 Ų | 48.5 | 12% | 0.119 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.7 | -35.2 | 176.4 | -62.5 | 0 | 0 | 0 | 0 | 113 | E1142 S1143 K1150 | E1142-S1146 VanDerWaalsContact O-CB 3.23Å; E1142-S1146 WeakPolarHBondContact O-CB 3.23Å; E1142-S1146 PolarHBondContact O-N 3.26Å; E1142-S1146 PolarHBondContact O-OG 3.43Å; S1143-S1146 PolarHBondContact O-N 3.25Å; S1146-K1150 VanDerWaalsContact O-CG 3.3Å; S1146-K1150 WeakPolarHBondContact O-CG 3.49Å; S1146-K1150 PolarHBondContact O-N 3.01Å |
| 1147 | S | 82.8 | Confident | 80.2 | Confident | 58 Ų | 58 | 49.9 Ų | 49.9 | 41% | 0.406 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -69.7 | -49.8 | 174.5 | -167 | 0 | 0 | 0 | 0 | 111.3 | S1143 T1144 I1145 R1149 K1150 Q1151 | S1143-S1147 WeakPolarHBondContact O-CB 3.27Å; S1143-S1147 PolarHBondContact O-N 2.95Å; T1144-S1147 PolarHBondContact O-N 2.89Å; I1145-S1147 VanDerWaalsContact C-N 3.29Å; I1145-S1147 PolarHBondContact O-N 3.41Å; S1147-R1149 VanDerWaalsContact C-N 3.3Å; S1147-R1149 PolarHBondContact O-N 3.02Å; S1147-K1150 WeakPolarHBondContact O-CB 3.42Å; S1147-K1150 PolarHBondContact O-N 3.39Å; S1147-Q1151 PolarHBondContact O-N 2.81Å |
| 1148 | R | 81 | Confident | 78.8 | Confident | 32 Ų | 32 | 50.9 Ų | 50.9 | 12% | 0.121 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.3 | -35.8 | 178.7 | -73.3 | 177.7 | 59.1 | -104.9 | -12.1 | 112.6 | T1144 I1145 Q1151 W1152 D1195 | T1144-R1148 PolarHBondContact O-N 2.72Å; I1145-R1148 PolarHBondContact O-N 3Å; R1148-Q1151 PolarHBondContact O-N 3.2Å; R1148-W1152 WeakPolarHBondContact O-CB 3.37Å; R1148-W1152 PolarHBondContact O-N 3.43Å; R1148-D1195 IonicContact CZ-OD1 3.81Å; R1148-D1195 VanDerWaalsContact CZ-OD1 3.22Å; R1148-D1195 IonicContact NH1-OD1 2.99Å; R1148-D1195 PolarHBondContact NH1-OD1 3.34Å; R1148-D1195 IonicContact NH2-OD1 2.61Å; R1148-D1195 PolarHBondContact NH2-OD1 3.24Å |
| 1149 | R | 80.2 | Confident | 76.9 | Confident | 17 Ų | 17 | 59 Ų | 59 | 6% | 0.064 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 170.8 | -166.2 | -168.9 | -168.1 | 89.1 | 2 | 112.6 | I1145 S1147 W1152 L1153 W1233 E1309 | I1145-R1149 PolarHBondContact O-N 3.03Å; S1147-R1149 VanDerWaalsContact C-N 3.3Å; S1147-R1149 PolarHBondContact O-N 3.02Å; R1149-W1152 PolarHBondContact O-N 2.93Å; R1149-L1153 HydrophobicContact CG-CD1 4.19Å; R1149-L1153 WeakPolarHBondContact O-CB 3.44Å; R1149-L1153 WeakPolarHBondContact O-CG 3.5Å; R1149-L1153 PolarHBondContact O-N 2.91Å; R1149-W1233 HydrophobicContact CB-CZ2 4.46Å; R1149-W1233 VanDerWaalsContact CD-CD2 3.45Å; R1149-W1233 VanDerWaalsContact CD-CE2 3.43Å; R1149-E1309 IonicContact CZ-OE1 3.7Å; R1149-E1309 IonicContact CZ-OE2 3.45Å; R1149-E1309 IonicContact NH1-OE1 2.69Å; R1149-E1309 PolarHBondContact NH1-OE1 2.99Å; R1149-E1309 IonicContact NH1-OE2 3Å; R1149-E1309 PolarHBondContact NH1-OE2 3.39Å; R1149-E1309 IonicContact NH2-OE1 3.84Å; R1149-E1309 IonicContact NH2-OE2 2.94Å; R1149-E1309 PolarHBondContact NH2-OE2 3.06Å |
| 1150 | K | 80 | Confident | 74.7 | Confident | 148 Ų | 148 | 60.5 Ų | 60.5 | 64% | 0.643 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.9 | -42.2 | 176.9 | -72.8 | 168.8 | -177.5 | 178 | 0 | 111.5 | S1146 S1147 L1153 S1154 | S1146-K1150 VanDerWaalsContact O-CG 3.3Å; S1146-K1150 WeakPolarHBondContact O-CG 3.49Å; S1146-K1150 PolarHBondContact O-N 3.01Å; S1147-K1150 WeakPolarHBondContact O-CB 3.42Å; S1147-K1150 PolarHBondContact O-N 3.39Å; K1150-L1153 PolarHBondContact O-N 3.16Å; K1150-S1154 WeakPolarHBondContact O-CB 3.44Å; K1150-S1154 PolarHBondContact O-N 2.69Å |
| 1151 | Q | 74.3 | Confident | 72.6 | Confident | 80 Ų | 80 | 60 Ų | 60 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.8 | -51.8 | 174.1 | -70.1 | 169.8 | -33.7 | 0 | 0 | 111 | S1147 R1148 L1153 S1154 A1155 | S1147-Q1151 PolarHBondContact O-N 2.81Å; R1148-Q1151 PolarHBondContact O-N 3.2Å; Q1151-L1153 PolarHBondContact O-N 3.39Å; Q1151-S1154 PolarHBondContact O-N 3.09Å; Q1151-S1154 PolarHBondContact O-OG 2.94Å; Q1151-A1155 PolarHBondContact O-N 3.42Å |
| 1152 | W | 71.6 | Confident | 70.7 | Confident | 20 Ų | 20 | 67.1 Ų | 67.1 | 8% | 0.076 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -56.5 | -47.3 | 177.5 | -178.5 | 82.2 | 0 | 0 | 0 | 112.6 | R1148 R1149 S1154 A1155 F1156 T1188 L1191 P1308 | R1148-W1152 WeakPolarHBondContact O-CB 3.37Å; R1148-W1152 PolarHBondContact O-N 3.43Å; R1149-W1152 PolarHBondContact O-N 2.93Å; W1152-S1154 VanDerWaalsContact C-N 3.28Å; W1152-S1154 PolarHBondContact O-N 2.88Å; W1152-A1155 PolarHBondContact O-N 3.01Å; W1152-F1156 HydrophobicContact CH2-CB 4.42Å; W1152-F1156 HydrophobicContact CH2-CD1 4.42Å; W1152-F1156 HydrophobicContact CH2-CD2 4.07Å; W1152-F1156 HydrophobicContact CH2-CE2 4.45Å; W1152-F1156 HydrophobicContact CH2-CG 4.05Å; W1152-F1156 HydrophobicContact CZ2-CB 4.34Å; W1152-F1156 AromaticContact CZ2-CD2 3.69Å; W1152-F1156 HydrophobicContact CZ2-CD2 3.69Å; W1152-F1156 HydrophobicContact CZ2-CE2 4.19Å; W1152-F1156 HydrophobicContact CZ2-CG 4.05Å; W1152-F1156 WeakPolarHBondContact O-CB 3.28Å; W1152-F1156 PolarHBondContact O-N 3.33Å; W1152-T1188 HydrophobicContact CZ2-CG2 4.29Å; W1152-L1191 HydrophobicContact CD2-CD2 4.09Å; W1152-L1191 HydrophobicContact CG-CD2 3.84Å; W1152-P1308 HydrophobicContact CD2-CG 4.21Å; W1152-P1308 HydrophobicContact CE3-CG 3.93Å; W1152-P1308 HydrophobicContact CH2-CG 3.74Å; W1152-P1308 HydrophobicContact CZ2-CG 3.98Å; W1152-P1308 HydrophobicContact CZ3-CG 3.69Å |
| 1153 | L | 70.3 | Confident | 68.6 | Low | 46 Ų | 46 | 70.5 Ų | 70.5 | 24% | 0.241 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60 | -36.6 | 175.3 | -74.1 | 168.8 | 0 | 0 | 0 | 112.3 | R1149 K1150 Q1151 N1157 | R1149-L1153 HydrophobicContact CG-CD1 4.19Å; R1149-L1153 WeakPolarHBondContact O-CB 3.44Å; R1149-L1153 WeakPolarHBondContact O-CG 3.5Å; R1149-L1153 PolarHBondContact O-N 2.91Å; K1150-L1153 PolarHBondContact O-N 3.16Å; Q1151-L1153 PolarHBondContact O-N 3.39Å; L1153-N1157 PolarHBondContact O-N 3.29Å; L1153-N1157 PolarHBondContact O-ND2 2.92Å |
| 1154 | S | 70.8 | Confident | 66.6 | Low | 71 Ų | 71 | 69.4 Ų | 69.4 | 50% | 0.497 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -71.3 | -30 | 178.7 | 77 | 0 | 0 | 0 | 0 | 113.7 | K1150 Q1151 W1152 | K1150-S1154 WeakPolarHBondContact O-CB 3.44Å; K1150-S1154 PolarHBondContact O-N 2.69Å; Q1151-S1154 PolarHBondContact O-N 3.09Å; Q1151-S1154 PolarHBondContact O-OG 2.94Å; W1152-S1154 VanDerWaalsContact C-N 3.28Å; W1152-S1154 PolarHBondContact O-N 2.88Å |
| 1155 | A | 66.4 | Low | 64.9 | Low | 3 Ų | 3 | 69 Ų | 69 | 3% | 0.025 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -79.7 | -44.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1151 W1152 N1157 K1158 | Q1151-A1155 PolarHBondContact O-N 3.42Å; W1152-A1155 PolarHBondContact O-N 3.01Å; A1155-N1157 VanDerWaalsContact C-N 3.3Å; A1155-N1157 PolarHBondContact O-N 3.05Å; A1155-K1158 PolarHBondContact O-N 2.97Å; A1155-K1158 VanDerWaalsContact O-N 3.14Å |
| 1156 | F | 64.2 | Low | 63.2 | Low | 63 Ų | 63 | 69.6 Ų | 69.6 | 28% | 0.276 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.7 | -39.4 | -178.5 | -169.4 | -96.8 | 0 | 0 | 0 | 112.5 | W1152 K1158 Q1159 I1165 S1305 | W1152-F1156 HydrophobicContact CH2-CB 4.42Å; W1152-F1156 HydrophobicContact CH2-CD1 4.42Å; W1152-F1156 HydrophobicContact CH2-CD2 4.07Å; W1152-F1156 HydrophobicContact CH2-CE2 4.45Å; W1152-F1156 HydrophobicContact CH2-CG 4.05Å; W1152-F1156 HydrophobicContact CZ2-CB 4.34Å; W1152-F1156 AromaticContact CZ2-CD2 3.69Å; W1152-F1156 HydrophobicContact CZ2-CD2 3.69Å; W1152-F1156 HydrophobicContact CZ2-CE2 4.19Å; W1152-F1156 HydrophobicContact CZ2-CG 4.05Å; W1152-F1156 WeakPolarHBondContact O-CB 3.28Å; W1152-F1156 PolarHBondContact O-N 3.33Å; F1156-K1158 PolarHBondContact O-N 3.04Å; F1156-K1158 VanDerWaalsContact O-N 3.16Å; F1156-Q1159 PolarHBondContact O-N 3.05Å; F1156-I1165 HydrophobicContact CD2-CD1 4.33Å; F1156-S1305 VanDerWaalsContact CE1-O 3.26Å; F1156-S1305 WeakPolarHBondContact CE1-O 3.47Å |
| 1157 | N | 58.9 | Low | 61.5 | Low | 113 Ų | 113 | 74.4 Ų | 74.4 | 60% | 0.604 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -6.6 | 179.5 | -82.4 | -80.6 | 0 | 0 | 0 | 115.1 | L1153 A1155 | L1153-N1157 PolarHBondContact O-N 3.29Å; L1153-N1157 PolarHBondContact O-ND2 2.92Å; A1155-N1157 VanDerWaalsContact C-N 3.3Å; A1155-N1157 PolarHBondContact O-N 3.05Å |
| 1158 | K | 56.8 | Low | 59.8 | Low | 121 Ų | 121 | 73.6 Ų | 73.6 | 53% | 0.526 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -3.7 | 178.6 | -70.9 | 175.1 | 170.9 | 179.8 | 0 | 114.7 | A1155 F1156 Q1160 E1164 | A1155-K1158 PolarHBondContact O-N 2.97Å; A1155-K1158 VanDerWaalsContact O-N 3.14Å; F1156-K1158 PolarHBondContact O-N 3.04Å; F1156-K1158 VanDerWaalsContact O-N 3.16Å; K1158-Q1160 PolarHBondContact O-N 3.16Å; K1158-E1164 WeakPolarHBondContact CB-OE2 3.19Å; K1158-E1164 WeakPolarHBondContact CD-OE1 3.34Å; K1158-E1164 WeakPolarHBondContact CD-OE2 3.34Å; K1158-E1164 IonicContact NZ-OE1 2.68Å; K1158-E1164 PolarHBondContact NZ-OE1 3.35Å; K1158-E1164 IonicContact NZ-OE2 3.76Å |
| 1159 | Q | 50.6 | Low | 58.3 | Low | 173 Ų | 173 | 73.7 Ų | 73.7 | 81% | 0.808 | 37% | 0.374 | S | S | * | . | S | Bend | trans | 61.7 | 1.5 | -174.7 | -61.3 | -173.7 | -26.4 | 0 | 0 | 116.2 | F1156 C1161 | F1156-Q1159 PolarHBondContact O-N 3.05Å; Q1159-C1161 VanDerWaalsContact C-SG 3.51Å; Q1159-C1161 VanDerWaalsContact CA-SG 3.55Å; Q1159-C1161 PolarHBondContact O-N 2.94Å |
| 1160 | Q | 44.9 | Very low | 57 | Low | 126 Ų | 126 | 76.7 Ų | 76.7 | 59% | 0.589 | 39% | 0.389 | S | S | * | . | trans | -78 | 42.6 | 176.6 | -136.5 | 89.8 | 7.5 | 0 | 0 | 112.5 | K1158 H1162 A1163 E1164 | K1158-Q1160 PolarHBondContact O-N 3.16Å; Q1160-H1162 VanDerWaalsContact C-N 3.27Å; Q1160-H1162 PolarHBondContact O-N 3.38Å; Q1160-A1163 PolarHBondContact O-N 3.24Å; Q1160-E1164 HydrophobicContact CB-CB 4.13Å; Q1160-E1164 HydrophobicContact CB-CG 3.87Å; Q1160-E1164 WeakPolarHBondContact CB-OE2 3.27Å; Q1160-E1164 HydrophobicContact CG-CG 4.05Å; Q1160-E1164 PolarHBondContact O-N 3.12Å | ||
| 1161 | C | 44.3 | Very low | 55.4 | Low | 52 Ų | 52 | 73.9 Ų | 73.9 | 35% | 0.351 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 17.9 | -147.5 | -69.4 | 0 | 0 | 0 | 0 | 119.6 | Q1159 I1165 | Q1159-C1161 VanDerWaalsContact C-SG 3.51Å; Q1159-C1161 VanDerWaalsContact CA-SG 3.55Å; Q1159-C1161 PolarHBondContact O-N 2.94Å; C1161-I1165 WeakPolarHBondContact O-CD1 3.21Å |
| 1162 | H | 49.5 | Very low | 54.2 | Low | 150 Ų | 150 | 70.9 Ų | 70.9 | 69% | 0.694 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.8 | -51.2 | 164.4 | -86.7 | -93.4 | 0 | 0 | 0 | 111.7 | Q1160 I1165 A1166 | Q1160-H1162 VanDerWaalsContact C-N 3.27Å; Q1160-H1162 PolarHBondContact O-N 3.38Å; H1162-I1165 PolarHBondContact O-N 2.95Å; H1162-A1166 VanDerWaalsContact O-CB 3.3Å; H1162-A1166 WeakPolarHBondContact O-CB 3.45Å; H1162-A1166 PolarHBondContact O-N 3.44Å |
| 1163 | A | 48 | Very low | 53.2 | Low | 75 Ų | 75 | 70.6 Ų | 70.6 | 62% | 0.62 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -66.8 | -42.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q1160 K1167 | Q1160-A1163 PolarHBondContact O-N 3.24Å; A1163-K1167 VanDerWaalsContact O-CB 3.31Å; A1163-K1167 WeakPolarHBondContact O-CB 3.28Å; A1163-K1167 PolarHBondContact O-N 3.02Å |
| 1164 | E | 45.5 | Very low | 51.9 | Low | 51 Ų | 51 | 74.6 Ų | 74.6 | 24% | 0.238 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -75.1 | -28.6 | 176.3 | -78.6 | -168.6 | 132.5 | 0 | 0 | 112.9 | K1158 Q1160 K1167 C1168 | K1158-E1164 WeakPolarHBondContact CB-OE2 3.19Å; K1158-E1164 WeakPolarHBondContact CD-OE1 3.34Å; K1158-E1164 WeakPolarHBondContact CD-OE2 3.34Å; K1158-E1164 IonicContact NZ-OE1 2.68Å; K1158-E1164 PolarHBondContact NZ-OE1 3.35Å; K1158-E1164 IonicContact NZ-OE2 3.76Å; Q1160-E1164 HydrophobicContact CB-CB 4.13Å; Q1160-E1164 HydrophobicContact CB-CG 3.87Å; Q1160-E1164 WeakPolarHBondContact CB-OE2 3.27Å; Q1160-E1164 HydrophobicContact CG-CG 4.05Å; Q1160-E1164 PolarHBondContact O-N 3.12Å; E1164-K1167 PolarHBondContact O-N 2.99Å; E1164-C1168 PolarHBondContact O-N 2.75Å |
| 1165 | I | 49.8 | Very low | 50.7 | Low | 25 Ų | 25 | 76.7 Ų | 76.7 | 13% | 0.128 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.6 | -49 | 173.1 | -60.2 | -175.2 | 0 | 0 | 0 | 109 | F1156 C1161 H1162 K1167 C1168 F1169 | F1156-I1165 HydrophobicContact CD2-CD1 4.33Å; C1161-I1165 WeakPolarHBondContact O-CD1 3.21Å; H1162-I1165 PolarHBondContact O-N 2.95Å; I1165-K1167 VanDerWaalsContact C-N 3.29Å; I1165-K1167 PolarHBondContact O-N 3.35Å; I1165-C1168 PolarHBondContact O-N 2.95Å; I1165-C1168 VanDerWaalsContact O-N 3.12Å; I1165-F1169 HydrophobicContact CG2-CD2 4.06Å; I1165-F1169 HydrophobicContact CG2-CE2 3.82Å; I1165-F1169 VanDerWaalsContact O-CD2 3.27Å; I1165-F1169 WeakPolarHBondContact O-CD2 3.47Å; I1165-F1169 PolarHBondContact O-N 2.91Å; I1165-F1169 VanDerWaalsContact O-N 3.13Å |
| 1166 | A | 50.5 | Low | 49.9 | Very low | 20 Ų | 20 | 77.7 Ų | 77.7 | 17% | 0.165 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -55.2 | -46.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | H1162 C1168 F1169 Q1170 F1183 | H1162-A1166 VanDerWaalsContact O-CB 3.3Å; H1162-A1166 WeakPolarHBondContact O-CB 3.45Å; H1162-A1166 PolarHBondContact O-N 3.44Å; A1166-C1168 PolarHBondContact O-N 2.97Å; A1166-F1169 CarbonylContact O-C 3.52Å; A1166-F1169 PolarHBondContact O-N 3.39Å; A1166-F1169 VanDerWaalsContact O-N 3.11Å; A1166-Q1170 WeakPolarHBondContact O-CB 3.23Å; A1166-Q1170 PolarHBondContact O-N 3.32Å; A1166-F1183 VanDerWaalsContact CA-CZ 3.45Å; A1166-F1183 HydrophobicContact CB-CD1 4.07Å; A1166-F1183 HydrophobicContact CB-CD2 4.42Å; A1166-F1183 HydrophobicContact CB-CE1 3.8Å; A1166-F1183 HydrophobicContact CB-CE2 4.14Å; A1166-F1183 HydrophobicContact CB-CG 4.42Å; A1166-F1183 HydrophobicContact CB-CZ 3.88Å |
| 1167 | K | 51 | Low | 49 | Very low | 119 Ų | 119 | 82.4 Ų | 82.4 | 52% | 0.517 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 175.1 | -171.7 | 166.6 | 178.8 | 170.6 | 0 | 112.9 | A1163 E1164 I1165 F1169 Q1170 D1171 | A1163-K1167 VanDerWaalsContact O-CB 3.31Å; A1163-K1167 WeakPolarHBondContact O-CB 3.28Å; A1163-K1167 PolarHBondContact O-N 3.02Å; E1164-K1167 PolarHBondContact O-N 2.99Å; I1165-K1167 VanDerWaalsContact C-N 3.29Å; I1165-K1167 PolarHBondContact O-N 3.35Å; K1167-F1169 VanDerWaalsContact C-N 3.26Å; K1167-F1169 PolarHBondContact O-N 3.1Å; K1167-Q1170 PolarHBondContact O-N 2.95Å; K1167-D1171 VanDerWaalsContact CE-CG 3.41Å; K1167-D1171 WeakPolarHBondContact CE-OD1 3.07Å; K1167-D1171 WeakPolarHBondContact CE-OD2 3.43Å; K1167-D1171 VanDerWaalsContact CG-CG 3.49Å; K1167-D1171 WeakPolarHBondContact CG-OD1 3.4Å; K1167-D1171 WeakPolarHBondContact CG-OD2 3.4Å; K1167-D1171 VanDerWaalsContact O-CB 3.23Å; K1167-D1171 WeakPolarHBondContact O-CB 2.96Å; K1167-D1171 VanDerWaalsContact O-CG 3.29Å; K1167-D1171 PolarHBondContact O-N 3.48Å |
| 1168 | C | 47 | Very low | 48.4 | Very low | 41 Ų | 41 | 80.9 Ų | 80.9 | 28% | 0.277 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.8 | -29.7 | 174.3 | -83.1 | 0 | 0 | 0 | 0 | 114.1 | E1164 I1165 A1166 S1172 | E1164-C1168 PolarHBondContact O-N 2.75Å; I1165-C1168 PolarHBondContact O-N 2.95Å; I1165-C1168 VanDerWaalsContact O-N 3.12Å; A1166-C1168 PolarHBondContact O-N 2.97Å; C1168-S1172 PolarHBondContact O-OG 2.8Å |
| 1169 | F | 49.2 | Very low | 47.9 | Very low | 33 Ų | 33 | 75.7 Ų | 75.7 | 15% | 0.145 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -80.8 | -29.4 | 171.1 | -75.6 | -81 | 0 | 0 | 0 | 112.9 | I1165 A1166 K1167 S1172 M1173 F1183 L1191 | I1165-F1169 HydrophobicContact CG2-CD2 4.06Å; I1165-F1169 HydrophobicContact CG2-CE2 3.82Å; I1165-F1169 VanDerWaalsContact O-CD2 3.27Å; I1165-F1169 WeakPolarHBondContact O-CD2 3.47Å; I1165-F1169 PolarHBondContact O-N 2.91Å; I1165-F1169 VanDerWaalsContact O-N 3.13Å; A1166-F1169 CarbonylContact O-C 3.52Å; A1166-F1169 PolarHBondContact O-N 3.39Å; A1166-F1169 VanDerWaalsContact O-N 3.11Å; K1167-F1169 VanDerWaalsContact C-N 3.26Å; K1167-F1169 PolarHBondContact O-N 3.1Å; F1169-S1172 CarbonylContact O-C 3.59Å; F1169-M1173 WeakPolarHBondContact O-CB 3.21Å; F1169-M1173 PolarHBondContact O-N 2.9Å; F1169-F1183 HydrophobicContact CB-CE2 4.13Å; F1169-F1183 HydrophobicContact CB-CZ 3.85Å; F1169-F1183 HydrophobicContact CD2-CE1 4.48Å; F1169-F1183 AromaticContact CD2-CZ 3.8Å; F1169-F1183 HydrophobicContact CD2-CZ 3.8Å; F1169-F1183 HydrophobicContact CG-CZ 4.08Å; F1169-L1191 HydrophobicContact CE1-CD1 4.2Å; F1169-L1191 HydrophobicContact CZ-CD1 3.97Å |
| 1170 | Q | 52.8 | Low | 47.5 | Very low | 80 Ų | 80 | 72.4 Ų | 72.4 | 37% | 0.374 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -80.9 | -46.8 | -178.2 | -159.5 | 150.4 | 7 | 0 | 0 | 111.3 | A1166 K1167 S1172 M1173 E1174 E1180 | A1166-Q1170 WeakPolarHBondContact O-CB 3.23Å; A1166-Q1170 PolarHBondContact O-N 3.32Å; K1167-Q1170 PolarHBondContact O-N 2.95Å; Q1170-S1172 PolarHBondContact O-N 3.35Å; Q1170-M1173 CarbonylContact O-C 3.51Å; Q1170-M1173 PolarHBondContact O-N 3.31Å; Q1170-E1174 WeakPolarHBondContact O-CA 3.48Å; Q1170-E1174 VanDerWaalsContact O-CG 3.26Å; Q1170-E1174 WeakPolarHBondContact O-CG 3.5Å; Q1170-E1174 PolarHBondContact O-N 3.36Å; Q1170-E1180 PolarHBondContact NE2-OE1 3.06Å; Q1170-E1180 VanDerWaalsContact NE2-OE1 3.15Å |
| 1171 | D | 47.1 | Very low | 47.5 | Very low | 90 Ų | 90 | 72.7 Ų | 72.7 | 48% | 0.481 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -5.2 | 169.7 | -67.3 | 6.3 | 0 | 0 | 0 | 113.6 | K1167 | K1167-D1171 VanDerWaalsContact CE-CG 3.41Å; K1167-D1171 WeakPolarHBondContact CE-OD1 3.07Å; K1167-D1171 WeakPolarHBondContact CE-OD2 3.43Å; K1167-D1171 VanDerWaalsContact CG-CG 3.49Å; K1167-D1171 WeakPolarHBondContact CG-OD1 3.4Å; K1167-D1171 WeakPolarHBondContact CG-OD2 3.4Å; K1167-D1171 VanDerWaalsContact O-CB 3.23Å; K1167-D1171 WeakPolarHBondContact O-CB 2.96Å; K1167-D1171 VanDerWaalsContact O-CG 3.29Å; K1167-D1171 PolarHBondContact O-N 3.48Å |
| 1172 | S | 49 | Very low | 47.7 | Very low | 16 Ų | 16 | 72 Ų | 72 | 11% | 0.112 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.2 | 11.8 | 174.1 | 67.2 | 0 | 0 | 0 | 0 | 113.8 | C1168 F1169 Q1170 F1500 | C1168-S1172 PolarHBondContact O-OG 2.8Å; F1169-S1172 CarbonylContact O-C 3.59Å; Q1170-S1172 PolarHBondContact O-N 3.35Å; S1172-F1500 WeakPolarHBondContact O-CE2 3.09Å; S1172-F1500 WeakPolarHBondContact O-CZ 3.23Å |
| 1173 | M | 50.4 | Low | 47.4 | Very low | 14 Ų | 14 | 66.8 Ų | 66.8 | 7% | 0.069 | 34% | 0.339 | C | S | . | . | trans | -160.8 | 50.3 | 176 | -54.7 | -171.8 | 170.5 | 0 | 0 | 112.1 | F1169 Q1170 N1175 L1176 L1179 I1198 F1500 | F1169-M1173 WeakPolarHBondContact O-CB 3.21Å; F1169-M1173 PolarHBondContact O-N 2.9Å; Q1170-M1173 CarbonylContact O-C 3.51Å; Q1170-M1173 PolarHBondContact O-N 3.31Å; M1173-N1175 PolarHBondContact O-N 2.85Å; M1173-L1176 HydrophobicContact CB-CD1 3.56Å; M1173-L1176 HydrophobicContact CB-CG 3.88Å; M1173-L1176 HydrophobicContact CG-CD1 3.98Å; M1173-L1176 PolarHBondContact O-N 3.28Å; M1173-L1176 HydrophobicContact SD-CD1 3.38Å; M1173-L1176 WeakPolarHBondContact SD-CD1 3.45Å; M1173-L1179 HydrophobicContact SD-CD1 4.15Å; M1173-I1198 HydrophobicContact CE-CD1 3.57Å; M1173-F1500 HydrophobicContact CG-CE2 4.39Å; M1173-F1500 HydrophobicContact CG-CZ 4.06Å | ||
| 1174 | E | 42.9 | Very low | 46.9 | Very low | 131 Ų | 131 | 72.5 Ų | 72.5 | 61% | 0.612 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -5.4 | -166.7 | -71.6 | -164.7 | 138.4 | 0 | 0 | 117.2 | Q1170 | Q1170-E1174 WeakPolarHBondContact O-CA 3.48Å; Q1170-E1174 VanDerWaalsContact O-CG 3.26Å; Q1170-E1174 WeakPolarHBondContact O-CG 3.5Å; Q1170-E1174 PolarHBondContact O-N 3.36Å |
| 1175 | N | 47 | Very low | 46.8 | Very low | 114 Ų | 114 | 76.8 Ų | 76.8 | 61% | 0.61 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.1 | 21.2 | -171.1 | -78.3 | -86.7 | 0 | 0 | 0 | 115.2 | M1173 K1467 | M1173-N1175 PolarHBondContact O-N 2.85Å; N1175-K1467 WeakPolarHBondContact O-CE 3.32Å; N1175-K1467 PolarHBondContact O-NZ 3.07Å |
| 1176 | L | 48.6 | Very low | 46.8 | Very low | 24 Ų | 24 | 77.2 Ų | 77.2 | 13% | 0.126 | 38% | 0.375 | C | S | . | . | trans | -111.8 | 71.9 | -169.8 | -55.7 | -168.7 | 0 | 0 | 0 | 115.4 | M1173 W1178 L1179 E1180 Y1463 K1467 | M1173-L1176 HydrophobicContact CB-CD1 3.56Å; M1173-L1176 HydrophobicContact CB-CG 3.88Å; M1173-L1176 HydrophobicContact CG-CD1 3.98Å; M1173-L1176 PolarHBondContact O-N 3.28Å; M1173-L1176 HydrophobicContact SD-CD1 3.38Å; M1173-L1176 WeakPolarHBondContact SD-CD1 3.45Å; L1176-W1178 PolarHBondContact O-N 2.95Å; L1176-L1179 HydrophobicContact CB-CB 4.05Å; L1176-L1179 HydrophobicContact CB-CD1 4.34Å; L1176-L1179 HydrophobicContact CD1-CD1 3.68Å; L1176-L1179 WeakPolarHBondContact O-CA 3.25Å; L1176-L1179 WeakPolarHBondContact O-CB 3.21Å; L1176-L1179 PolarHBondContact O-N 3.25Å; L1176-E1180 PolarHBondContact O-N 3.22Å; L1176-Y1463 HydrophobicContact CD1-CE1 4.4Å; L1176-Y1463 HydrophobicContact CD2-CE1 4.1Å; L1176-K1467 HydrophobicContact CD2-CD 3.39Å | ||
| 1177 | K | 45.1 | Very low | 47.3 | Very low | 162 Ų | 162 | 79.4 Ų | 79.4 | 70% | 0.704 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -52.5 | -22.8 | 171.8 | -69.8 | -173.4 | 173.9 | -176.5 | 0 | 115.6 | N1181 | K1177-N1181 WeakPolarHBondContact O-CB 3.41Å; K1177-N1181 PolarHBondContact O-N 3.13Å; K1177-N1181 VanDerWaalsContact O-N 3.16Å |
| 1178 | W | 46.7 | Very low | 48 | Very low | 82 Ų | 82 | 75.8 Ų | 75.8 | 31% | 0.311 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -72.1 | -33.3 | 174 | 178.2 | 94.2 | 0 | 0 | 0 | 111.9 | L1176 N1182 F1194 Y1463 | L1176-W1178 PolarHBondContact O-N 2.95Å; W1178-N1182 PolarHBondContact NE1-ND2 3.44Å; W1178-N1182 WeakPolarHBondContact O-CB 3.42Å; W1178-N1182 PolarHBondContact O-N 3.28Å; W1178-N1182 PolarHBondContact O-ND2 3.12Å; W1178-F1194 HydrophobicContact CH2-CZ 4.33Å; W1178-F1194 AromaticContact CZ3-CZ 3.97Å; W1178-F1194 HydrophobicContact CZ3-CZ 3.97Å; W1178-Y1463 HydrophobicContact CB-CD2 4.14Å; W1178-Y1463 HydrophobicContact CB-CE1 4.12Å; W1178-Y1463 HydrophobicContact CB-CE2 3.37Å; W1178-Y1463 WeakPolarHBondContact CB-OH 3.23Å; W1178-Y1463 HydrophobicContact CD2-CD1 4.32Å; W1178-Y1463 HydrophobicContact CD2-CD2 4.27Å; W1178-Y1463 HydrophobicContact CD2-CE1 4.35Å; W1178-Y1463 HydrophobicContact CD2-CE2 4.32Å; W1178-Y1463 HydrophobicContact CD2-CG 4.29Å; W1178-Y1463 HydrophobicContact CE3-CD1 4.16Å; W1178-Y1463 HydrophobicContact CE3-CE1 4.13Å; W1178-Y1463 AromaticContact CG-CD2 3.92Å; W1178-Y1463 HydrophobicContact CG-CD2 3.92Å; W1178-Y1463 HydrophobicContact CG-CE1 4.39Å; W1178-Y1463 AromaticContact CG-CE2 3.67Å; W1178-Y1463 HydrophobicContact CG-CE2 3.67Å; W1178-Y1463 HydrophobicContact CG-CG 4.41Å; W1178-Y1463 AromaticContact CG-CZ 3.94Å |
| 1179 | L | 46.3 | Very low | 49.2 | Very low | 12 Ų | 12 | 75.7 Ų | 75.7 | 6% | 0.063 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -71.4 | -41.2 | 175.2 | -111.1 | 159.3 | 0 | 0 | 0 | 110.1 | M1173 L1176 N1181 N1182 F1183 C1186 | M1173-L1179 HydrophobicContact SD-CD1 4.15Å; L1176-L1179 HydrophobicContact CB-CB 4.05Å; L1176-L1179 HydrophobicContact CB-CD1 4.34Å; L1176-L1179 HydrophobicContact CD1-CD1 3.68Å; L1176-L1179 WeakPolarHBondContact O-CA 3.25Å; L1176-L1179 WeakPolarHBondContact O-CB 3.21Å; L1176-L1179 PolarHBondContact O-N 3.25Å; L1179-N1181 PolarHBondContact O-N 3.11Å; L1179-N1182 CarbonylContact O-C 3.4Å; L1179-N1182 PolarHBondContact O-N 2.69Å; L1179-N1182 VanDerWaalsContact O-N 3.16Å; L1179-F1183 HydrophobicContact CB-CD2 4.33Å; L1179-F1183 HydrophobicContact CB-CE2 4.4Å; L1179-F1183 HydrophobicContact CD2-CD2 3.79Å; L1179-F1183 HydrophobicContact CD2-CE2 3.52Å; L1179-F1183 HydrophobicContact CD2-CZ 4.02Å; L1179-F1183 HydrophobicContact CG-CE2 4.48Å; L1179-F1183 VanDerWaalsContact O-CA 3.25Å; L1179-F1183 WeakPolarHBondContact O-CA 3.48Å; L1179-F1183 WeakPolarHBondContact O-CB 3.31Å; L1179-F1183 WeakPolarHBondContact O-CD2 3.33Å; L1179-F1183 PolarHBondContact O-N 2.77Å; L1179-C1186 HydrophobicContact CD2-CB 4.27Å |
| 1180 | E | 41.9 | Very low | 50.6 | Low | 103 Ų | 103 | 75.9 Ų | 75.9 | 48% | 0.481 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -54.5 | -51.5 | 170.1 | -64.9 | 178.9 | 130 | 0 | 0 | 111.3 | Q1170 L1176 N1182 F1183 | Q1170-E1180 PolarHBondContact NE2-OE1 3.06Å; Q1170-E1180 VanDerWaalsContact NE2-OE1 3.15Å; L1176-E1180 PolarHBondContact O-N 3.22Å; E1180-N1182 PolarHBondContact O-N 3.38Å; E1180-F1183 PolarHBondContact O-N 3.07Å |
| 1181 | N | 45.5 | Very low | 52 | Low | 132 Ų | 132 | 72.8 Ų | 72.8 | 71% | 0.706 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -5.5 | -179.9 | -71.5 | -15.7 | 0 | 0 | 0 | 115.2 | K1177 L1179 | K1177-N1181 WeakPolarHBondContact O-CB 3.41Å; K1177-N1181 PolarHBondContact O-N 3.13Å; K1177-N1181 VanDerWaalsContact O-N 3.16Å; L1179-N1181 PolarHBondContact O-N 3.11Å |
| 1182 | N | 48.9 | Very low | 54 | Low | 38 Ų | 38 | 68.9 Ų | 68.9 | 20% | 0.203 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132 | 16 | 176.7 | -65.4 | -84.2 | 0 | 0 | 0 | 112.5 | W1178 L1179 E1180 E1184 K1185 C1186 | W1178-N1182 PolarHBondContact NE1-ND2 3.44Å; W1178-N1182 WeakPolarHBondContact O-CB 3.42Å; W1178-N1182 PolarHBondContact O-N 3.28Å; W1178-N1182 PolarHBondContact O-ND2 3.12Å; L1179-N1182 CarbonylContact O-C 3.4Å; L1179-N1182 PolarHBondContact O-N 2.69Å; L1179-N1182 VanDerWaalsContact O-N 3.16Å; E1180-N1182 PolarHBondContact O-N 3.38Å; N1182-E1184 VanDerWaalsContact C-N 3.32Å; N1182-E1184 PolarHBondContact O-N 2.99Å; N1182-K1185 CarbonylContact O-C 3.34Å; N1182-K1185 WeakPolarHBondContact O-CA 3.31Å; N1182-K1185 WeakPolarHBondContact O-CB 3.47Å; N1182-K1185 PolarHBondContact O-N 2.86Å; N1182-C1186 PolarHBondContact O-N 2.85Å; N1182-C1186 PolarHBondContact O-SG 3.5Å |
| 1183 | F | 41.5 | Very low | 56 | Low | 41 Ų | 41 | 68.2 Ų | 68.2 | 18% | 0.18 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -67.8 | -37.9 | -172.6 | -136 | -65.7 | 0 | 0 | 0 | 111.3 | A1166 F1169 L1179 E1180 K1185 C1186 | A1166-F1183 VanDerWaalsContact CA-CZ 3.45Å; A1166-F1183 HydrophobicContact CB-CD1 4.07Å; A1166-F1183 HydrophobicContact CB-CD2 4.42Å; A1166-F1183 HydrophobicContact CB-CE1 3.8Å; A1166-F1183 HydrophobicContact CB-CE2 4.14Å; A1166-F1183 HydrophobicContact CB-CG 4.42Å; A1166-F1183 HydrophobicContact CB-CZ 3.88Å; F1169-F1183 HydrophobicContact CB-CE2 4.13Å; F1169-F1183 HydrophobicContact CB-CZ 3.85Å; F1169-F1183 HydrophobicContact CD2-CE1 4.48Å; F1169-F1183 AromaticContact CD2-CZ 3.8Å; F1169-F1183 HydrophobicContact CD2-CZ 3.8Å; F1169-F1183 HydrophobicContact CG-CZ 4.08Å; L1179-F1183 HydrophobicContact CB-CD2 4.33Å; L1179-F1183 HydrophobicContact CB-CE2 4.4Å; L1179-F1183 HydrophobicContact CD2-CD2 3.79Å; L1179-F1183 HydrophobicContact CD2-CE2 3.52Å; L1179-F1183 HydrophobicContact CD2-CZ 4.02Å; L1179-F1183 HydrophobicContact CG-CE2 4.48Å; L1179-F1183 VanDerWaalsContact O-CA 3.25Å; L1179-F1183 WeakPolarHBondContact O-CA 3.48Å; L1179-F1183 WeakPolarHBondContact O-CB 3.31Å; L1179-F1183 WeakPolarHBondContact O-CD2 3.33Å; L1179-F1183 PolarHBondContact O-N 2.77Å; E1180-F1183 PolarHBondContact O-N 3.07Å; F1183-K1185 PolarHBondContact O-N 3.09Å; F1183-K1185 VanDerWaalsContact O-N 3.1Å; F1183-C1186 PolarHBondContact O-N 3.25Å; F1183-C1186 VanDerWaalsContact O-N 3.15Å |
| 1184 | E | 37.5 | Very low | 57.9 | Low | 194 Ų | 194 | 68.1 Ų | 68.1 | 91% | 0.907 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -60.2 | -16.7 | 171.1 | -59.1 | -176.5 | 136.9 | 0 | 0 | 113.5 | N1182 | N1182-E1184 VanDerWaalsContact C-N 3.32Å; N1182-E1184 PolarHBondContact O-N 2.99Å |
| 1185 | K | 44.6 | Very low | 60.1 | Low | 142 Ų | 142 | 62.8 Ų | 62.8 | 62% | 0.617 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -105.9 | -15 | 178.1 | -61.4 | 175.6 | -175.3 | 167.3 | 0 | 113.4 | N1182 F1183 T1187 | N1182-K1185 CarbonylContact O-C 3.34Å; N1182-K1185 WeakPolarHBondContact O-CA 3.31Å; N1182-K1185 WeakPolarHBondContact O-CB 3.47Å; N1182-K1185 PolarHBondContact O-N 2.86Å; F1183-K1185 PolarHBondContact O-N 3.09Å; F1183-K1185 VanDerWaalsContact O-N 3.1Å; K1185-T1187 PolarHBondContact O-N 3.28Å |
| 1186 | C | 50.2 | Low | 62.2 | Low | 33 Ų | 33 | 57.4 Ų | 57.4 | 22% | 0.223 | 28% | 0.28 | C | S | . | . | trans | -77.5 | 65.5 | 179.8 | -71.2 | 0 | 0 | 0 | 0 | 111.3 | L1179 N1182 F1183 | L1179-C1186 HydrophobicContact CD2-CB 4.27Å; N1182-C1186 PolarHBondContact O-N 2.85Å; N1182-C1186 PolarHBondContact O-SG 3.5Å; F1183-C1186 PolarHBondContact O-N 3.25Å; F1183-C1186 VanDerWaalsContact O-N 3.15Å | ||
| 1187 | T | 60.8 | Low | 64.3 | Low | 66 Ų | 66 | 56.4 Ų | 56.4 | 41% | 0.405 | 28% | 0.275 | S | S | . | . | trans | -59.5 | 159.6 | 173.6 | 66.6 | 0 | 0 | 0 | 0 | 111.7 | K1185 N1189 H1190 | K1185-T1187 PolarHBondContact O-N 3.28Å; T1187-N1189 PolarHBondContact O-N 2.95Å; T1187-H1190 PolarHBondContact O-CD2 3.29Å; T1187-H1190 PolarHBondContact O-N 2.82Å; T1187-H1190 PolarHBondContact OG1-CD2 2.9Å; T1187-H1190 VanDerWaalsContact OG1-CD2 3.28Å | ||
| 1188 | T | 65.8 | Low | 66.3 | Low | 44 Ų | 44 | 49.3 Ų | 49.3 | 27% | 0.27 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -21.8 | 173.8 | 39.2 | 0 | 0 | 0 | 0 | 114.1 | W1152 H1190 H1311 | W1152-T1188 HydrophobicContact CZ2-CG2 4.29Å; T1188-H1190 VanDerWaalsContact C-N 3.31Å; T1188-H1190 PolarHBondContact O-N 3.48Å; T1188-H1311 PolarHBondContact OG1-CE1 2.75Å; T1188-H1311 PolarHBondContact OG1-ND1 3.02Å; T1188-H1311 PolarHBondContact OG1-NE2 2.93Å |
| 1189 | N | 70.6 | Confident | 68.5 | Low | 39 Ų | 39 | 45.5 Ų | 45.5 | 21% | 0.209 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -27.2 | 174.8 | -63 | -30.9 | 0 | 0 | 0 | 113.7 | T1187 H1311 L1312 N1315 | T1187-N1189 PolarHBondContact O-N 2.95Å; N1189-H1311 PolarHBondContact OD1-CE1 3.33Å; N1189-H1311 PolarHBondContact OD1-ND1 3.22Å; N1189-L1312 HydrophobicContact CB-CD1 3.92Å; N1189-N1315 PolarHBondContact ND2-ND2 2.98Å; N1189-N1315 PolarHBondContact OD1-ND2 2.77Å |
| 1190 | H | 79.6 | Confident | 70.7 | Confident | 36 Ų | 36 | 45 Ų | 45 | 17% | 0.167 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -22.4 | -178.6 | -60.8 | -89.5 | 0 | 0 | 0 | 113.3 | T1187 T1188 L1193 F1194 N1456 I1460 | T1187-H1190 PolarHBondContact O-CD2 3.29Å; T1187-H1190 PolarHBondContact O-N 2.82Å; T1187-H1190 PolarHBondContact OG1-CD2 2.9Å; T1187-H1190 VanDerWaalsContact OG1-CD2 3.28Å; T1188-H1190 VanDerWaalsContact C-N 3.31Å; T1188-H1190 PolarHBondContact O-N 3.48Å; H1190-L1193 WeakPolarHBondContact O-CB 3.45Å; H1190-L1193 PolarHBondContact O-N 2.92Å; H1190-F1194 HydrophobicContact CB-CD2 4.07Å; H1190-F1194 HydrophobicContact CB-CE2 3.92Å; H1190-F1194 WeakPolarHBondContact O-CD2 3.39Å; H1190-F1194 PolarHBondContact O-N 3.4Å; H1190-N1456 PolarHBondContact CE1-OD1 3.26Å; H1190-I1460 HydrophobicContact CB-CD1 4.45Å |
| 1191 | L | 83 | Confident | 72.8 | Confident | 16 Ų | 16 | 42.2 Ų | 42.2 | 8% | 0.084 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.2 | -46.4 | -175.2 | 173.1 | 54.7 | 0 | 0 | 0 | 113.1 | W1152 F1169 L1193 F1194 D1195 P1308 | W1152-L1191 HydrophobicContact CD2-CD2 4.09Å; W1152-L1191 HydrophobicContact CG-CD2 3.84Å; F1169-L1191 HydrophobicContact CE1-CD1 4.2Å; F1169-L1191 HydrophobicContact CZ-CD1 3.97Å; L1191-L1193 PolarHBondContact O-N 3.15Å; L1191-F1194 PolarHBondContact O-N 2.99Å; L1191-D1195 WeakPolarHBondContact CD1-OD1 3.49Å; L1191-D1195 PolarHBondContact O-N 3.34Å; L1191-P1308 HydrophobicContact CD2-CB 4.2Å; L1191-P1308 HydrophobicContact CD2-CG 3.92Å; L1191-P1308 HydrophobicContact CG-CB 4.45Å |
| 1192 | P | 88.4 | Confident | 74.7 | Confident | 8 Ų | 8 | 38 Ų | 38 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.1 | -34.3 | 173.7 | -26 | 35.7 | 0 | 0 | 0 | 113.8 | L1196 P1308 E1309 L1312 | P1192-L1196 WeakPolarHBondContact O-CG 3.36Å; P1192-L1196 PolarHBondContact O-N 3.1Å; P1192-L1196 VanDerWaalsContact O-N 3.12Å; P1192-P1308 HydrophobicContact CG-CB 4.08Å; P1192-E1309 HydrophobicContact CB-CG 4.36Å; P1192-E1309 HydrophobicContact CG-CG 4.24Å; P1192-L1312 HydrophobicContact CB-CD2 3.82Å; P1192-L1312 HydrophobicContact CG-CB 4.27Å; P1192-L1312 HydrophobicContact CG-CD2 3.86Å |
| 1193 | L | 91.6 | Very high | 76.6 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -72 | -43.4 | 178.8 | -59 | -179.9 | 0 | 0 | 0 | 112 | H1190 L1191 D1195 L1196 V1197 I1226 L1453 N1456 L1457 I1460 | H1190-L1193 WeakPolarHBondContact O-CB 3.45Å; H1190-L1193 PolarHBondContact O-N 2.92Å; L1191-L1193 PolarHBondContact O-N 3.15Å; L1193-D1195 VanDerWaalsContact C-N 3.3Å; L1193-D1195 PolarHBondContact O-N 3.12Å; L1193-L1196 PolarHBondContact O-N 3.24Å; L1193-V1197 WeakPolarHBondContact O-CG2 3.43Å; L1193-V1197 PolarHBondContact O-N 2.92Å; L1193-V1197 VanDerWaalsContact O-N 3.13Å; L1193-I1226 HydrophobicContact CD2-CD1 4.47Å; L1193-L1453 HydrophobicContact CD1-CD1 3.99Å; L1193-L1453 HydrophobicContact CD2-CD1 4.06Å; L1193-L1453 HydrophobicContact CD2-CG 4.43Å; L1193-L1453 HydrophobicContact CG-CD1 4.38Å; L1193-N1456 HydrophobicContact CD1-CB 3.86Å; L1193-L1457 HydrophobicContact CD2-CB 4.38Å; L1193-L1457 HydrophobicContact CD2-CD1 4.31Å; L1193-I1460 HydrophobicContact CB-CD1 3.79Å; L1193-I1460 HydrophobicContact CD1-CD1 4.27Å |
| 1194 | F | 88.7 | Confident | 78.2 | Confident | 11 Ų | 11 | 36.2 Ų | 36.2 | 5% | 0.048 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.7 | -44.9 | 172.4 | -81.7 | -74.6 | 0 | 0 | 0 | 111.2 | W1178 H1190 L1191 L1196 V1197 I1198 I1460 L1464 | W1178-F1194 HydrophobicContact CH2-CZ 4.33Å; W1178-F1194 AromaticContact CZ3-CZ 3.97Å; W1178-F1194 HydrophobicContact CZ3-CZ 3.97Å; H1190-F1194 HydrophobicContact CB-CD2 4.07Å; H1190-F1194 HydrophobicContact CB-CE2 3.92Å; H1190-F1194 WeakPolarHBondContact O-CD2 3.39Å; H1190-F1194 PolarHBondContact O-N 3.4Å; L1191-F1194 PolarHBondContact O-N 2.99Å; F1194-L1196 PolarHBondContact O-N 2.94Å; F1194-V1197 PolarHBondContact O-N 3.34Å; F1194-I1198 HydrophobicContact CB-CD1 4.47Å; F1194-I1198 WeakPolarHBondContact O-CB 3.45Å; F1194-I1198 WeakPolarHBondContact O-CD1 3.3Å; F1194-I1198 VanDerWaalsContact O-CG1 3.24Å; F1194-I1198 WeakPolarHBondContact O-CG1 3.45Å; F1194-I1198 PolarHBondContact O-N 2.77Å; F1194-I1460 HydrophobicContact CD1-CG1 4.5Å; F1194-I1460 HydrophobicContact CD1-CG2 3.56Å; F1194-I1460 HydrophobicContact CD2-CD1 3.97Å; F1194-I1460 HydrophobicContact CE1-CB 4.39Å; F1194-I1460 HydrophobicContact CE1-CD1 4.42Å; F1194-I1460 HydrophobicContact CE1-CG1 4.02Å; F1194-I1460 HydrophobicContact CE1-CG2 3.63Å; F1194-I1460 HydrophobicContact CE2-CD1 3.78Å; F1194-I1460 HydrophobicContact CE2-CG1 4.08Å; F1194-I1460 HydrophobicContact CG-CD1 4.35Å; F1194-I1460 HydrophobicContact CG-CG2 4.15Å; F1194-I1460 HydrophobicContact CZ-CD1 4.02Å; F1194-I1460 HydrophobicContact CZ-CG1 3.77Å; F1194-I1460 HydrophobicContact CZ-CG2 4.27Å; F1194-L1464 HydrophobicContact CD1-CD1 4.31Å |
| 1195 | D | 89.3 | Confident | 79.9 | Confident | 19 Ų | 19 | 27.5 Ų | 27.5 | 10% | 0.102 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.9 | -37.3 | -178.4 | -74.4 | 7.1 | 0 | 0 | 0 | 112.3 | I1145 R1148 L1191 L1193 W1199 | I1145-D1195 HydrophobicContact CD1-CB 4.06Å; I1145-D1195 WeakPolarHBondContact CD1-O 3.47Å; I1145-D1195 HydrophobicContact CG2-CB 4.33Å; R1148-D1195 IonicContact CZ-OD1 3.81Å; R1148-D1195 VanDerWaalsContact CZ-OD1 3.22Å; R1148-D1195 IonicContact NH1-OD1 2.99Å; R1148-D1195 PolarHBondContact NH1-OD1 3.34Å; R1148-D1195 IonicContact NH2-OD1 2.61Å; R1148-D1195 PolarHBondContact NH2-OD1 3.24Å; L1191-D1195 WeakPolarHBondContact CD1-OD1 3.49Å; L1191-D1195 PolarHBondContact O-N 3.34Å; L1193-D1195 VanDerWaalsContact C-N 3.3Å; L1193-D1195 PolarHBondContact O-N 3.12Å; D1195-W1199 WeakPolarHBondContact O-CB 3.3Å; D1195-W1199 PolarHBondContact O-N 3.03Å |
| 1196 | L | 92.7 | Very high | 81.5 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.6 | -41.4 | 174 | -70.7 | -177 | 0 | 0 | 0 | 113.7 | P1192 L1193 F1194 S1200 L1225 I1226 | P1192-L1196 WeakPolarHBondContact O-CG 3.36Å; P1192-L1196 PolarHBondContact O-N 3.1Å; P1192-L1196 VanDerWaalsContact O-N 3.12Å; L1193-L1196 PolarHBondContact O-N 3.24Å; F1194-L1196 PolarHBondContact O-N 2.94Å; L1196-S1200 WeakPolarHBondContact O-CB 3.29Å; L1196-S1200 PolarHBondContact O-N 2.97Å; L1196-S1200 PolarHBondContact O-OG 3.27Å; L1196-L1225 HydrophobicContact CD1-CB 3.91Å; L1196-L1225 HydrophobicContact CD2-CB 3.62Å; L1196-L1225 HydrophobicContact CD2-CD1 4.29Å; L1196-L1225 HydrophobicContact CG-CB 4.45Å; L1196-I1226 HydrophobicContact CD1-CG1 3.96Å |
| 1197 | V | 91.4 | Very high | 82.6 | Confident | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.018 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.6 | -44.2 | 177.1 | 177.3 | 0 | 0 | 0 | 0 | 110.3 | L1193 F1194 S1200 S1201 L1218 I1460 F1461 L1464 | L1193-V1197 WeakPolarHBondContact O-CG2 3.43Å; L1193-V1197 PolarHBondContact O-N 2.92Å; L1193-V1197 VanDerWaalsContact O-N 3.13Å; F1194-V1197 PolarHBondContact O-N 3.34Å; V1197-S1200 PolarHBondContact O-OG 2.93Å; V1197-S1201 VanDerWaalsContact O-CB 3.22Å; V1197-S1201 WeakPolarHBondContact O-CB 3.36Å; V1197-S1201 PolarHBondContact O-N 3.4Å; V1197-S1201 PolarHBondContact O-OG 2.98Å; V1197-L1218 HydrophobicContact CG2-CD1 4.39Å; V1197-I1460 HydrophobicContact CB-CG2 4.39Å; V1197-I1460 HydrophobicContact CG2-CG2 4.13Å; V1197-F1461 HydrophobicContact CG1-CD2 3.93Å; V1197-F1461 HydrophobicContact CG2-CB 4.33Å; V1197-F1461 HydrophobicContact CG2-CD2 4.25Å; V1197-L1464 HydrophobicContact CB-CD1 4.14Å; V1197-L1464 HydrophobicContact CG1-CB 4.4Å; V1197-L1464 HydrophobicContact CG1-CD1 3.61Å |
| 1198 | I | 88.4 | Confident | 83.2 | Confident | 12 Ų | 12 | 25.6 Ų | 25.6 | 6% | 0.062 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.7 | -48.2 | 178.2 | -69 | 164.7 | 0 | 0 | 0 | 110.9 | I1145 M1173 F1194 S1201 L1464 | I1145-I1198 HydrophobicContact CD1-CG2 4.27Å; M1173-I1198 HydrophobicContact CE-CD1 3.57Å; F1194-I1198 HydrophobicContact CB-CD1 4.47Å; F1194-I1198 WeakPolarHBondContact O-CB 3.45Å; F1194-I1198 WeakPolarHBondContact O-CD1 3.3Å; F1194-I1198 VanDerWaalsContact O-CG1 3.24Å; F1194-I1198 WeakPolarHBondContact O-CG1 3.45Å; F1194-I1198 PolarHBondContact O-N 2.77Å; I1198-S1201 PolarHBondContact O-N 3.03Å; I1198-S1201 PolarHBondContact O-OG 3.14Å; I1198-L1464 HydrophobicContact CG1-CD1 4.26Å |
| 1199 | W | 92.8 | Very high | 84 | Confident | 3 Ų | 3 | 24.5 Ų | 24.5 | 1% | 0.011 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -53.8 | -55.3 | 175.7 | 170.7 | 82.4 | 0 | 0 | 0 | 112 | E1142 I1145 D1195 S1201 K1202 L1203 L1225 K1377 L1378 L1381 | E1142-W1199 PolarHBondContact OE1-NE1 3.37Å; I1145-W1199 HydrophobicContact CD1-CB 4.2Å; I1145-W1199 HydrophobicContact CG1-CB 3.99Å; D1195-W1199 WeakPolarHBondContact O-CB 3.3Å; D1195-W1199 PolarHBondContact O-N 3.03Å; W1199-S1201 VanDerWaalsContact C-N 3.32Å; W1199-S1201 PolarHBondContact O-N 2.67Å; W1199-K1202 PolarHBondContact O-N 2.99Å; W1199-L1203 HydrophobicContact CD2-CD1 4.34Å; W1199-L1203 HydrophobicContact CH2-CD1 3.83Å; W1199-L1203 HydrophobicContact CZ2-CD1 3.66Å; W1199-L1203 HydrophobicContact CZ3-CD1 4.29Å; W1199-L1225 HydrophobicContact CZ3-CD1 4.43Å; W1199-L1225 HydrophobicContact CZ3-CD2 4.45Å; W1199-K1377 HydrophobicContact CH2-CB 3.49Å; W1199-K1377 VanDerWaalsContact CH2-CB 3.49Å; W1199-K1377 HydrophobicContact CH2-CD 4.46Å; W1199-K1377 HydrophobicContact CZ2-CB 3.41Å; W1199-K1377 VanDerWaalsContact CZ2-CB 3.41Å; W1199-K1377 HydrophobicContact CZ2-CD 3.84Å; W1199-K1377 HydrophobicContact CZ2-CG 4.31Å; W1199-K1377 HydrophobicContact CZ3-CB 4.41Å; W1199-L1378 HydrophobicContact CH2-CB 4.44Å; W1199-L1381 HydrophobicContact CH2-CD2 4.35Å; W1199-L1381 HydrophobicContact CZ3-CD2 3.84Å |
| 1200 | S | 91.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.6 | -30.8 | -177.5 | 59.7 | 0 | 0 | 0 | 0 | 112.8 | L1196 V1197 K1202 L1203 H1214 | L1196-S1200 WeakPolarHBondContact O-CB 3.29Å; L1196-S1200 PolarHBondContact O-N 2.97Å; L1196-S1200 PolarHBondContact O-OG 3.27Å; V1197-S1200 PolarHBondContact O-OG 2.93Å; S1200-K1202 PolarHBondContact O-N 3.45Å; S1200-L1203 PolarHBondContact O-N 3.47Å; S1200-H1214 WeakPolarHBondContact CB-NE2 3.45Å; S1200-H1214 PolarHBondContact OG-NE2 3.49Å |
| 1201 | S | 86.9 | Confident | 85.1 | Confident | 45 Ų | 45 | 27.9 Ų | 27.9 | 32% | 0.315 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.6 | -19.5 | 177.8 | 76.9 | 0 | 0 | 0 | 0 | 114.9 | V1197 I1198 W1199 | V1197-S1201 VanDerWaalsContact O-CB 3.22Å; V1197-S1201 WeakPolarHBondContact O-CB 3.36Å; V1197-S1201 PolarHBondContact O-N 3.4Å; V1197-S1201 PolarHBondContact O-OG 2.98Å; I1198-S1201 PolarHBondContact O-N 3.03Å; I1198-S1201 PolarHBondContact O-OG 3.14Å; W1199-S1201 VanDerWaalsContact C-N 3.32Å; W1199-S1201 PolarHBondContact O-N 2.67Å |
| 1202 | K | 85 | Confident | 85.3 | Confident | 44 Ų | 44 | 29 Ų | 29 | 19% | 0.191 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -8.7 | 179.1 | -71.5 | -173 | 176.2 | -124.5 | 0 | 114.2 | A1141 T1144 W1199 S1200 S1501 | A1141-K1202 HydrophobicContact CB-CB 4.18Å; T1144-K1202 PolarHBondContact OG1-NZ 2.9Å; W1199-K1202 PolarHBondContact O-N 2.99Å; S1200-K1202 PolarHBondContact O-N 3.45Å; K1202-S1501 WeakPolarHBondContact CE-O 3.49Å; K1202-S1501 PolarHBondContact NZ-O 2.95Å |
| 1203 | L | 87.5 | Confident | 85.2 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -88.2 | 127.4 | -173.5 | -60.4 | 179.8 | 0 | 0 | 0 | 112.2 | I1138 A1141 W1199 S1200 Y1205 I1206 L1378 | I1138-L1203 HydrophobicContact CG1-CD2 3.97Å; A1141-L1203 HydrophobicContact CB-CD2 3.9Å; W1199-L1203 HydrophobicContact CD2-CD1 4.34Å; W1199-L1203 HydrophobicContact CH2-CD1 3.83Å; W1199-L1203 HydrophobicContact CZ2-CD1 3.66Å; W1199-L1203 HydrophobicContact CZ3-CD1 4.29Å; S1200-L1203 PolarHBondContact O-N 3.47Å; L1203-Y1205 VanDerWaalsContact C-N 3.33Å; L1203-Y1205 PolarHBondContact O-N 3.24Å; L1203-I1206 HydrophobicContact CB-CD1 4.1Å; L1203-I1206 HydrophobicContact CB-CG1 4.23Å; L1203-I1206 HydrophobicContact CD1-CD1 4.03Å; L1203-I1206 PolarHBondContact O-N 3.09Å; L1203-I1206 VanDerWaalsContact O-N 3.14Å; L1203-L1378 HydrophobicContact CD1-CD1 3.96Å; L1203-L1378 HydrophobicContact CD1-CD2 4.4Å | ||
| 1204 | P | 75.3 | Confident | 85.1 | Confident | 42 Ų | 42 | 30 Ų | 30 | 27% | 0.273 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -33.9 | -175 | 26.1 | -35.5 | 0 | 0 | 0 | 113 | F1137 I1206 C1207 | F1137-P1204 HydrophobicContact CB-CG 4.03Å; F1137-P1204 HydrophobicContact CD2-CB 4.43Å; F1137-P1204 HydrophobicContact CD2-CG 3.83Å; F1137-P1204 HydrophobicContact CG-CG 4.08Å; P1204-I1206 PolarHBondContact O-N 3.32Å; P1204-C1207 WeakPolarHBondContact O-CB 3.47Å; P1204-C1207 PolarHBondContact O-N 2.88Å |
| 1205 | Y | 74.6 | Confident | 85.3 | Confident | 10 Ų | 10 | 30.4 Ų | 30.4 | 4% | 0.039 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -34.8 | 174.8 | -60.5 | -84.3 | 0 | 0 | 0 | 113 | A1134 I1138 L1203 L1378 L1400 Q1403 V1404 | A1134-Y1205 HydrophobicContact CB-CE2 4.23Å; I1138-Y1205 HydrophobicContact CD1-CE2 4.16Å; L1203-Y1205 VanDerWaalsContact C-N 3.33Å; L1203-Y1205 PolarHBondContact O-N 3.24Å; Y1205-L1378 HydrophobicContact CD2-CD2 3.57Å; Y1205-L1378 HydrophobicContact CE2-CD2 3.98Å; Y1205-L1378 HydrophobicContact CG-CD2 4.1Å; Y1205-L1400 HydrophobicContact CD1-CD2 4.08Å; Y1205-Q1403 HydrophobicContact CE1-CB 4.02Å; Y1205-V1404 HydrophobicContact CD1-CG2 4.23Å; Y1205-V1404 HydrophobicContact CE1-CG2 3.97Å; Y1205-V1404 HydrophobicContact CE2-CG2 4.3Å |
| 1206 | I | 78.5 | Confident | 85.3 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 4% | 0.036 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -83.3 | -25.1 | -175.2 | -62.7 | -179.1 | 0 | 0 | 0 | 111.3 | L1203 P1204 Q1208 L1209 H1214 L1378 L1381 | L1203-I1206 HydrophobicContact CB-CD1 4.1Å; L1203-I1206 HydrophobicContact CB-CG1 4.23Å; L1203-I1206 HydrophobicContact CD1-CD1 4.03Å; L1203-I1206 PolarHBondContact O-N 3.09Å; L1203-I1206 VanDerWaalsContact O-N 3.14Å; P1204-I1206 PolarHBondContact O-N 3.32Å; I1206-Q1208 PolarHBondContact O-N 3.22Å; I1206-Q1208 VanDerWaalsContact O-N 3.09Å; I1206-L1209 WeakPolarHBondContact O-CB 3.46Å; I1206-L1209 PolarHBondContact O-N 2.97Å; I1206-H1214 HydrophobicContact CG2-CB 4.13Å; I1206-H1214 VanDerWaalsContact CG2-CE1 3.5Å; I1206-H1214 WeakPolarHBondContact CG2-CE1 3.1Å; I1206-H1214 VanDerWaalsContact CG2-CG 3.43Å; I1206-H1214 WeakPolarHBondContact CG2-ND1 3.37Å; I1206-L1378 HydrophobicContact CD1-CD1 4.2Å; I1206-L1378 HydrophobicContact CG1-CD1 4.39Å; I1206-L1381 HydrophobicContact CD1-CD2 3.55Å |
| 1207 | C | 71.4 | Confident | 85.2 | Confident | 76 Ų | 76 | 32.8 Ų | 32.8 | 51% | 0.514 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -65.2 | -8.4 | 172.8 | -63.8 | 0 | 0 | 0 | 0 | 113.9 | P1204 | P1204-C1207 WeakPolarHBondContact O-CB 3.47Å; P1204-C1207 PolarHBondContact O-N 2.88Å |
| 1208 | Q | 74.1 | Confident | 85.3 | Confident | 118 Ų | 118 | 32.7 Ų | 32.7 | 55% | 0.551 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -89.1 | -8 | 172.2 | -55.3 | -175.6 | 24 | 0 | 0 | 113.1 | I1206 | I1206-Q1208 PolarHBondContact O-N 3.22Å; I1206-Q1208 VanDerWaalsContact O-N 3.09Å |
| 1209 | L | 83.6 | Confident | 85.5 | Confident | 21 Ų | 21 | 35 Ų | 35 | 11% | 0.11 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -100.5 | 152.7 | -177.7 | -58.4 | 176.5 | 0 | 0 | 0 | 111 | I1206 V1213 L1217 L1382 L1396 L1400 | I1206-L1209 WeakPolarHBondContact O-CB 3.46Å; I1206-L1209 PolarHBondContact O-N 2.97Å; L1209-V1213 HydrophobicContact CB-CG1 4.4Å; L1209-V1213 HydrophobicContact CD1-CG1 4.42Å; L1209-V1213 HydrophobicContact CD2-CG1 4.29Å; L1209-L1217 HydrophobicContact CD1-CD1 3.72Å; L1209-L1382 HydrophobicContact CD1-CD2 4.29Å; L1209-L1396 HydrophobicContact CD2-CD2 4.07Å; L1209-L1396 HydrophobicContact CD2-CG 4.45Å; L1209-L1400 HydrophobicContact CD2-CD1 3.83Å; L1209-L1400 HydrophobicContact CG-CD1 4.25Å |
| 1210 | S | 86 | Confident | 85.4 | Confident | 73 Ų | 73 | 36.8 Ų | 36.8 | 51% | 0.51 | 22% | 0.22 | S | C | . | . | trans | -71.9 | 152.3 | 172 | 74.8 | 0 | 0 | 0 | 0 | 110.9 | G1212 V1213 H1214 | S1210-G1212 PolarHBondContact O-N 2.91Å; S1210-V1213 PolarHBondContact O-N 3.1Å; S1210-V1213 WeakPolarHBondContact OG-CG2 3.13Å; S1210-H1214 PolarHBondContact O-N 2.73Å | ||
| 1211 | C | 86.3 | Confident | 85.5 | Confident | 74 Ų | 74 | 36.9 Ų | 36.9 | 50% | 0.5 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -55 | -36.8 | -177 | -164 | 0 | 0 | 0 | 0 | 112.9 | L1215 F1461 | C1211-L1215 PolarHBondContact O-N 2.79Å; C1211-L1215 VanDerWaalsContact O-N 3.1Å; C1211-F1461 WeakPolarHBondContact O-CE1 3.31Å; C1211-F1461 WeakPolarHBondContact O-CZ 3.24Å; C1211-F1461 VanDerWaalsContact SG-CE1 3.52Å |
| 1212 | G | 86.2 | Confident | 85.8 | Confident | 38 Ų | 38 | 34.8 Ų | 34.8 | 39% | 0.392 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.6 | -47 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1210 H1214 L1215 D1216 | S1210-G1212 PolarHBondContact O-N 2.91Å; G1212-H1214 VanDerWaalsContact C-N 3.31Å; G1212-H1214 PolarHBondContact O-N 2.72Å; G1212-L1215 WeakPolarHBondContact O-CB 3.37Å; G1212-L1215 PolarHBondContact O-N 2.93Å; G1212-L1215 VanDerWaalsContact O-N 3.15Å; G1212-D1216 PolarHBondContact O-N 3.26Å |
| 1213 | V | 88 | Confident | 86.2 | Confident | 12 Ų | 12 | 33 Ų | 33 | 7% | 0.073 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.4 | -37.8 | 178.1 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | L1209 S1210 D1216 L1217 I1393 | L1209-V1213 HydrophobicContact CB-CG1 4.4Å; L1209-V1213 HydrophobicContact CD1-CG1 4.42Å; L1209-V1213 HydrophobicContact CD2-CG1 4.29Å; S1210-V1213 PolarHBondContact O-N 3.1Å; S1210-V1213 WeakPolarHBondContact OG-CG2 3.13Å; V1213-D1216 PolarHBondContact O-N 3.43Å; V1213-L1217 HydrophobicContact CG1-CD1 3.97Å; V1213-L1217 HydrophobicContact CG1-CG 4.32Å; V1213-L1217 WeakPolarHBondContact O-CB 3.46Å; V1213-L1217 VanDerWaalsContact O-CG 3.23Å; V1213-L1217 WeakPolarHBondContact O-CG 3.43Å; V1213-L1217 PolarHBondContact O-N 3.31Å; V1213-I1393 HydrophobicContact CG1-CG2 4.28Å; V1213-I1393 HydrophobicContact CG2-CD1 3.71Å; V1213-I1393 HydrophobicContact CG2-CG2 4.47Å |
| 1214 | H | 89.8 | Confident | 86.5 | Confident | 21 Ų | 21 | 34.4 Ų | 34.4 | 10% | 0.097 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.4 | -45.1 | 173.4 | 179.2 | -166.3 | 0 | 0 | 0 | 111.4 | S1200 I1206 S1210 G1212 L1218 F1461 | S1200-H1214 WeakPolarHBondContact CB-NE2 3.45Å; S1200-H1214 PolarHBondContact OG-NE2 3.49Å; I1206-H1214 HydrophobicContact CG2-CB 4.13Å; I1206-H1214 VanDerWaalsContact CG2-CE1 3.5Å; I1206-H1214 WeakPolarHBondContact CG2-CE1 3.1Å; I1206-H1214 VanDerWaalsContact CG2-CG 3.43Å; I1206-H1214 WeakPolarHBondContact CG2-ND1 3.37Å; S1210-H1214 PolarHBondContact O-N 2.73Å; G1212-H1214 VanDerWaalsContact C-N 3.31Å; G1212-H1214 PolarHBondContact O-N 2.72Å; H1214-L1218 WeakPolarHBondContact NE2-CD1 3.43Å; H1214-L1218 WeakPolarHBondContact O-CB 3.23Å; H1214-L1218 WeakPolarHBondContact O-CG 3.38Å; H1214-L1218 PolarHBondContact O-N 2.87Å; H1214-F1461 HydrophobicContact CB-CE2 4.47Å; H1214-F1461 HydrophobicContact CB-CZ 4.08Å; H1214-F1461 AromaticContact CE1-CE2 3.59Å; H1214-F1461 AromaticContact CG-CE2 3.78Å; H1214-F1461 AromaticContact CG-CZ 3.84Å; H1214-F1461 AromaticContact ND1-CE2 3.5Å; H1214-F1461 WeakPolarHBondContact ND1-CE2 3.34Å; H1214-F1461 AromaticContact ND1-CZ 3.62Å; H1214-F1461 AromaticContact NE2-CE2 3.91Å |
| 1215 | L | 91 | Very high | 87.5 | Confident | 18 Ų | 18 | 32.4 Ų | 32.4 | 9% | 0.094 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.4 | -46.7 | 175 | 177.1 | 58.2 | 0 | 0 | 0 | 112.4 | C1211 G1212 L1218 K1219 L1457 E1458 F1461 | C1211-L1215 PolarHBondContact O-N 2.79Å; C1211-L1215 VanDerWaalsContact O-N 3.1Å; G1212-L1215 WeakPolarHBondContact O-CB 3.37Å; G1212-L1215 PolarHBondContact O-N 2.93Å; G1212-L1215 VanDerWaalsContact O-N 3.15Å; L1215-L1218 WeakPolarHBondContact O-CB 3.49Å; L1215-L1218 PolarHBondContact O-N 3.46Å; L1215-K1219 HydrophobicContact CD1-CD 4.38Å; L1215-K1219 HydrophobicContact CD1-CG 4.23Å; L1215-K1219 HydrophobicContact CG-CD 4.22Å; L1215-K1219 HydrophobicContact CG-CG 4.5Å; L1215-K1219 WeakPolarHBondContact O-CG 3.41Å; L1215-K1219 PolarHBondContact O-N 2.89Å; L1215-L1457 HydrophobicContact CD1-CD2 3.53Å; L1215-E1458 HydrophobicContact CD1-CB 4.21Å; L1215-E1458 HydrophobicContact CD2-CB 4.32Å; L1215-E1458 HydrophobicContact CD2-CG 3.85Å; L1215-F1461 HydrophobicContact CB-CD1 3.91Å; L1215-F1461 HydrophobicContact CB-CE1 3.68Å; L1215-F1461 HydrophobicContact CB-CG 4.48Å; L1215-F1461 HydrophobicContact CB-CZ 4.07Å; L1215-F1461 HydrophobicContact CD1-CB 4.01Å; L1215-F1461 HydrophobicContact CD1-CD1 3.92Å; L1215-F1461 HydrophobicContact CD1-CD2 4.47Å; L1215-F1461 HydrophobicContact CD1-CG 3.88Å; L1215-F1461 HydrophobicContact CD2-CD1 4.24Å; L1215-F1461 HydrophobicContact CG-CD1 4.24Å; L1215-F1461 HydrophobicContact CG-CE1 4.49Å |
| 1216 | D | 89.5 | Confident | 88.4 | Confident | 70 Ų | 70 | 32 Ų | 32 | 37% | 0.374 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -69 | -37.9 | -176.3 | -66.4 | -29.5 | 0 | 0 | 0 | 111.7 | G1212 V1213 K1219 S1220 M1387 | G1212-D1216 PolarHBondContact O-N 3.26Å; V1213-D1216 PolarHBondContact O-N 3.43Å; D1216-K1219 PolarHBondContact O-N 3.5Å; D1216-K1219 IonicContact OD1-NZ 3.63Å; D1216-S1220 WeakPolarHBondContact O-CB 3.41Å; D1216-S1220 PolarHBondContact O-N 3.46Å; D1216-S1220 PolarHBondContact O-OG 3.23Å; D1216-M1387 VanDerWaalsContact C-CE 3.42Å; D1216-M1387 HydrophobicContact CB-CE 3.82Å; D1216-M1387 HydrophobicContact CB-SD 3.7Å; D1216-M1387 VanDerWaalsContact O-CE 3.25Å; D1216-M1387 WeakPolarHBondContact O-CE 3.23Å |
| 1217 | L | 91.9 | Very high | 89.1 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61 | -46.8 | 169.7 | -71.5 | 173.6 | 0 | 0 | 0 | 111.3 | L1209 V1213 K1219 S1220 A1221 L1381 M1387 I1397 | L1209-L1217 HydrophobicContact CD1-CD1 3.72Å; V1213-L1217 HydrophobicContact CG1-CD1 3.97Å; V1213-L1217 HydrophobicContact CG1-CG 4.32Å; V1213-L1217 WeakPolarHBondContact O-CB 3.46Å; V1213-L1217 VanDerWaalsContact O-CG 3.23Å; V1213-L1217 WeakPolarHBondContact O-CG 3.43Å; V1213-L1217 PolarHBondContact O-N 3.31Å; L1217-K1219 PolarHBondContact O-N 2.85Å; L1217-S1220 PolarHBondContact O-N 3.06Å; L1217-S1220 VanDerWaalsContact O-N 3.15Å; L1217-S1220 PolarHBondContact O-OG 2.95Å; L1217-A1221 WeakPolarHBondContact O-CB 3.45Å; L1217-A1221 PolarHBondContact O-N 3.17Å; L1217-L1381 VanDerWaalsContact C-CD1 3.49Å; L1217-L1381 HydrophobicContact CB-CD1 3.86Å; L1217-M1387 HydrophobicContact CD2-CE 4.28Å; L1217-M1387 HydrophobicContact CD2-CG 3.91Å; L1217-I1397 HydrophobicContact CD1-CD1 4.42Å; L1217-I1397 HydrophobicContact CD2-CD1 4.26Å |
| 1218 | L | 93.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.7 | -45.7 | 175.8 | -83.5 | 173.3 | 0 | 0 | 0 | 112.2 | V1197 H1214 L1215 S1220 A1221 C1222 L1225 L1381 L1457 F1461 | V1197-L1218 HydrophobicContact CG2-CD1 4.39Å; H1214-L1218 WeakPolarHBondContact NE2-CD1 3.43Å; H1214-L1218 WeakPolarHBondContact O-CB 3.23Å; H1214-L1218 WeakPolarHBondContact O-CG 3.38Å; H1214-L1218 PolarHBondContact O-N 2.87Å; L1215-L1218 WeakPolarHBondContact O-CB 3.49Å; L1215-L1218 PolarHBondContact O-N 3.46Å; L1218-S1220 VanDerWaalsContact C-N 3.3Å; L1218-S1220 PolarHBondContact O-N 3.19Å; L1218-A1221 PolarHBondContact O-N 3.43Å; L1218-C1222 WeakPolarHBondContact O-CA 3.24Å; L1218-C1222 WeakPolarHBondContact O-CB 3.37Å; L1218-C1222 PolarHBondContact O-N 3.25Å; L1218-L1225 HydrophobicContact CD2-CD1 4.45Å; L1218-L1381 HydrophobicContact CD2-CD1 4.03Å; L1218-L1381 HydrophobicContact CD2-CD2 4.38Å; L1218-L1381 HydrophobicContact CG-CD1 4.22Å; L1218-L1457 HydrophobicContact CB-CD2 4.19Å; L1218-F1461 HydrophobicContact CD1-CD2 3.68Å; L1218-F1461 HydrophobicContact CD1-CE2 3.71Å |
| 1219 | K | 92.8 | Very high | 91.1 | Very high | 60 Ų | 60 | 23 Ų | 23 | 26% | 0.261 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -55.7 | -46.6 | 174.1 | -74.8 | 173 | 175.3 | 173.6 | 0 | 110.9 | L1215 D1216 L1217 A1221 L1454 L1457 E1458 | L1215-K1219 HydrophobicContact CD1-CD 4.38Å; L1215-K1219 HydrophobicContact CD1-CG 4.23Å; L1215-K1219 HydrophobicContact CG-CD 4.22Å; L1215-K1219 HydrophobicContact CG-CG 4.5Å; L1215-K1219 WeakPolarHBondContact O-CG 3.41Å; L1215-K1219 PolarHBondContact O-N 2.89Å; D1216-K1219 PolarHBondContact O-N 3.5Å; D1216-K1219 IonicContact OD1-NZ 3.63Å; L1217-K1219 PolarHBondContact O-N 2.85Å; K1219-A1221 PolarHBondContact O-N 3.06Å; K1219-L1454 HydrophobicContact CB-CD2 3.99Å; K1219-L1454 HydrophobicContact CG-CD2 4.1Å; K1219-L1457 HydrophobicContact CG-CD2 4.31Å; K1219-E1458 VanDerWaalsContact CE-OE2 3.22Å; K1219-E1458 WeakPolarHBondContact CE-OE2 3.34Å; K1219-E1458 IonicContact NZ-OE2 3.23Å; K1219-E1458 PolarHBondContact NZ-OE2 3.38Å |
| 1220 | S | 90.6 | Very high | 91.5 | Very high | 41 Ų | 41 | 22 Ų | 22 | 29% | 0.287 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -71.1 | -23.4 | -177.7 | 76.5 | 0 | 0 | 0 | 0 | 115.3 | D1216 L1217 L1218 S1386 | D1216-S1220 WeakPolarHBondContact O-CB 3.41Å; D1216-S1220 PolarHBondContact O-N 3.46Å; D1216-S1220 PolarHBondContact O-OG 3.23Å; L1217-S1220 PolarHBondContact O-N 3.06Å; L1217-S1220 VanDerWaalsContact O-N 3.15Å; L1217-S1220 PolarHBondContact O-OG 2.95Å; L1218-S1220 VanDerWaalsContact C-N 3.3Å; L1218-S1220 PolarHBondContact O-N 3.19Å; S1220-S1386 VanDerWaalsContact CB-CB 3.41Å; S1220-S1386 WeakPolarHBondContact CB-OG 3.36Å; S1220-S1386 WeakPolarHBondContact OG-CB 3.48Å; S1220-S1386 PolarHBondContact OG-OG 3.38Å |
| 1221 | A | 93.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 2% | 0.017 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -106.8 | -7.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | L1217 L1218 K1219 M1223 Q1224 L1225 L1381 | L1217-A1221 WeakPolarHBondContact O-CB 3.45Å; L1217-A1221 PolarHBondContact O-N 3.17Å; L1218-A1221 PolarHBondContact O-N 3.43Å; K1219-A1221 PolarHBondContact O-N 3.06Å; A1221-M1223 PolarHBondContact O-N 2.88Å; A1221-Q1224 WeakPolarHBondContact O-CB 3.33Å; A1221-Q1224 PolarHBondContact O-N 3.12Å; A1221-L1225 HydrophobicContact CB-CD1 3.89Å; A1221-L1225 HydrophobicContact CB-CG 4.12Å; A1221-L1225 WeakPolarHBondContact O-CG 3.48Å; A1221-L1225 PolarHBondContact O-N 3.37Å; A1221-L1381 HydrophobicContact CB-CB 4.48Å; A1221-L1381 HydrophobicContact CB-CD1 3.97Å |
| 1222 | C | 93.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.014 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -45.6 | -56.9 | -169.9 | -177.4 | 0 | 0 | 0 | 0 | 113.4 | L1218 Q1224 L1225 I1226 L1457 | L1218-C1222 WeakPolarHBondContact O-CA 3.24Å; L1218-C1222 WeakPolarHBondContact O-CB 3.37Å; L1218-C1222 PolarHBondContact O-N 3.25Å; C1222-Q1224 PolarHBondContact O-N 3.44Å; C1222-L1225 PolarHBondContact O-N 2.89Å; C1222-I1226 WeakPolarHBondContact O-CG1 3.2Å; C1222-I1226 PolarHBondContact O-N 3Å; C1222-L1457 HydrophobicContact CB-CD1 3.98Å |
| 1223 | M | 92.6 | Very high | 92.3 | Very high | 7 Ų | 7 | 15.9 Ų | 15.9 | 3% | 0.034 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.9 | -45 | -179 | -65.2 | -56.7 | -63.9 | 0 | 0 | 112.3 | A1221 L1225 I1226 I1227 L1313 A1438 I1441 E1442 I1445 L1453 | A1221-M1223 PolarHBondContact O-N 2.88Å; M1223-L1225 VanDerWaalsContact C-N 3.3Å; M1223-L1225 PolarHBondContact O-N 3.45Å; M1223-I1226 PolarHBondContact O-N 2.9Å; M1223-I1226 HydrophobicContact SD-CD1 4.46Å; M1223-I1227 WeakPolarHBondContact O-CB 3.34Å; M1223-I1227 WeakPolarHBondContact O-CD1 3.32Å; M1223-I1227 WeakPolarHBondContact O-CG1 3.26Å; M1223-I1227 PolarHBondContact O-N 3.32Å; M1223-L1313 HydrophobicContact CE-CD2 3.56Å; M1223-A1438 HydrophobicContact CB-CB 4.34Å; M1223-I1441 HydrophobicContact CE-CB 4.41Å; M1223-I1441 HydrophobicContact CE-CG2 3.51Å; M1223-E1442 HydrophobicContact CB-CG 4.42Å; M1223-E1442 VanDerWaalsContact CB-OE1 3.28Å; M1223-E1442 WeakPolarHBondContact CB-OE1 3.41Å; M1223-E1442 HydrophobicContact CG-CG 3.96Å; M1223-E1442 WeakPolarHBondContact CG-OE1 3.38Å; M1223-I1445 HydrophobicContact CE-CD1 3.52Å; M1223-I1445 HydrophobicContact SD-CD1 4.2Å; M1223-L1453 HydrophobicContact SD-CD2 3.68Å |
| 1224 | Q | 94.3 | Very high | 92.3 | Very high | 29 Ų | 29 | 15.8 Ų | 15.8 | 14% | 0.136 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.4 | -39.7 | 179 | -61.5 | 173.3 | 30.9 | 0 | 0 | 111.1 | A1221 C1222 I1227 V1228 A1438 | A1221-Q1224 WeakPolarHBondContact O-CB 3.33Å; A1221-Q1224 PolarHBondContact O-N 3.12Å; C1222-Q1224 PolarHBondContact O-N 3.44Å; Q1224-I1227 PolarHBondContact O-N 2.92Å; Q1224-V1228 WeakPolarHBondContact O-CB 3.4Å; Q1224-V1228 VanDerWaalsContact O-CG2 3.27Å; Q1224-V1228 WeakPolarHBondContact O-CG2 3.35Å; Q1224-V1228 PolarHBondContact O-N 3.05Å; Q1224-A1438 HydrophobicContact CG-CB 3.58Å |
| 1225 | L | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -71.7 | -37.4 | 177.6 | -63.2 | 171.9 | 0 | 0 | 0 | 113 | L1196 W1199 L1218 A1221 C1222 M1223 N1229 K1377 L1380 L1381 | L1196-L1225 HydrophobicContact CD1-CB 3.91Å; L1196-L1225 HydrophobicContact CD2-CB 3.62Å; L1196-L1225 HydrophobicContact CD2-CD1 4.29Å; L1196-L1225 HydrophobicContact CG-CB 4.45Å; W1199-L1225 HydrophobicContact CZ3-CD1 4.43Å; W1199-L1225 HydrophobicContact CZ3-CD2 4.45Å; L1218-L1225 HydrophobicContact CD2-CD1 4.45Å; A1221-L1225 HydrophobicContact CB-CD1 3.89Å; A1221-L1225 HydrophobicContact CB-CG 4.12Å; A1221-L1225 WeakPolarHBondContact O-CG 3.48Å; A1221-L1225 PolarHBondContact O-N 3.37Å; C1222-L1225 PolarHBondContact O-N 2.89Å; M1223-L1225 VanDerWaalsContact C-N 3.3Å; M1223-L1225 PolarHBondContact O-N 3.45Å; L1225-N1229 PolarHBondContact O-N 3Å; L1225-N1229 VanDerWaalsContact O-N 3.1Å; L1225-N1229 PolarHBondContact O-ND2 3.05Å; L1225-K1377 HydrophobicContact CD2-CB 3.74Å; L1225-K1377 HydrophobicContact CD2-CG 4.04Å; L1225-K1377 WeakPolarHBondContact CD2-O 3.02Å; L1225-L1380 HydrophobicContact CD2-CB 4.46Å; L1225-L1381 HydrophobicContact CD1-CB 4.42Å; L1225-L1381 HydrophobicContact CD1-CD1 4.31Å |
| 1226 | I | 94 | Very high | 91.9 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.2 | -46.6 | 172.2 | -67.3 | 165.5 | 0 | 0 | 0 | 110 | L1193 L1196 C1222 M1223 N1229 L1230 E1309 L1312 L1313 | L1193-I1226 HydrophobicContact CD2-CD1 4.47Å; L1196-I1226 HydrophobicContact CD1-CG1 3.96Å; C1222-I1226 WeakPolarHBondContact O-CG1 3.2Å; C1222-I1226 PolarHBondContact O-N 3Å; M1223-I1226 PolarHBondContact O-N 2.9Å; M1223-I1226 HydrophobicContact SD-CD1 4.46Å; I1226-N1229 PolarHBondContact O-N 3.04Å; I1226-L1230 PolarHBondContact O-N 2.94Å; I1226-E1309 HydrophobicContact CG2-CB 4.02Å; I1226-E1309 HydrophobicContact CG2-CG 4.49Å; I1226-L1312 HydrophobicContact CD1-CD2 3.86Å; I1226-L1313 HydrophobicContact CG2-CD1 4.2Å; I1226-L1313 HydrophobicContact CG2-CD2 4.26Å; I1226-L1313 HydrophobicContact CG2-CG 4.1Å |
| 1227 | I | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66.5 | -43 | -178.6 | -65.5 | 156.4 | 0 | 0 | 0 | 111.1 | M1223 Q1224 N1229 L1230 V1231 L1313 F1434 V1437 A1438 I1441 | M1223-I1227 WeakPolarHBondContact O-CB 3.34Å; M1223-I1227 WeakPolarHBondContact O-CD1 3.32Å; M1223-I1227 WeakPolarHBondContact O-CG1 3.26Å; M1223-I1227 PolarHBondContact O-N 3.32Å; Q1224-I1227 PolarHBondContact O-N 2.92Å; I1227-N1229 PolarHBondContact O-N 2.66Å; I1227-L1230 PolarHBondContact O-N 3Å; I1227-V1231 HydrophobicContact CG2-CG2 4.12Å; I1227-V1231 WeakPolarHBondContact O-CB 3.32Å; I1227-V1231 WeakPolarHBondContact O-CG2 3.28Å; I1227-V1231 PolarHBondContact O-N 3.04Å; I1227-L1313 HydrophobicContact CG1-CD1 4.34Å; I1227-F1434 HydrophobicContact CG2-CD1 4.3Å; I1227-V1437 HydrophobicContact CD1-CG1 4.19Å; I1227-V1437 HydrophobicContact CG2-CB 4.36Å; I1227-V1437 HydrophobicContact CG2-CG1 3.86Å; I1227-A1438 VanDerWaalsContact CD1-CA 3.43Å; I1227-A1438 HydrophobicContact CD1-CB 3.66Å; I1227-I1441 HydrophobicContact CD1-CD1 3.67Å; I1227-I1441 HydrophobicContact CG1-CD1 3.99Å |
| 1228 | V | 94.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.006 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61 | -43 | 176.2 | 165.6 | 0 | 0 | 0 | 0 | 111.8 | Q1224 Y1232 L1373 K1377 L1380 F1434 | Q1224-V1228 WeakPolarHBondContact O-CB 3.4Å; Q1224-V1228 VanDerWaalsContact O-CG2 3.27Å; Q1224-V1228 WeakPolarHBondContact O-CG2 3.35Å; Q1224-V1228 PolarHBondContact O-N 3.05Å; V1228-Y1232 WeakPolarHBondContact O-CB 3.4Å; V1228-Y1232 PolarHBondContact O-N 3.25Å; V1228-L1373 HydrophobicContact CG1-CD1 3.57Å; V1228-K1377 HydrophobicContact CG1-CG 3.76Å; V1228-L1380 HydrophobicContact CG2-CD1 3.6Å; V1228-F1434 HydrophobicContact CG2-CB 4.02Å; V1228-F1434 HydrophobicContact CG2-CD1 3.55Å; V1228-F1434 HydrophobicContact CG2-CD2 3.62Å; V1228-F1434 HydrophobicContact CG2-CE1 3.81Å; V1228-F1434 HydrophobicContact CG2-CE2 3.89Å; V1228-F1434 HydrophobicContact CG2-CG 3.46Å; V1228-F1434 VanDerWaalsContact CG2-CG 3.46Å; V1228-F1434 HydrophobicContact CG2-CZ 3.99Å |
| 1229 | N | 93.1 | Very high | 87.8 | Confident | 12 Ų | 12 | 29 Ų | 29 | 6% | 0.064 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.8 | -53.3 | 173.1 | -81.6 | -58.3 | 0 | 0 | 0 | 111.3 | L1225 I1226 I1227 V1231 Y1232 W1233 E1309 K1377 | L1225-N1229 PolarHBondContact O-N 3Å; L1225-N1229 VanDerWaalsContact O-N 3.1Å; L1225-N1229 PolarHBondContact O-ND2 3.05Å; I1226-N1229 PolarHBondContact O-N 3.04Å; I1227-N1229 PolarHBondContact O-N 2.66Å; N1229-V1231 PolarHBondContact O-N 3.01Å; N1229-Y1232 PolarHBondContact O-N 3.28Å; N1229-W1233 PolarHBondContact O-N 3.37Å; N1229-E1309 HydrophobicContact CB-CG 4.34Å; N1229-K1377 WeakPolarHBondContact OD1-CE 3.27Å; N1229-K1377 PolarHBondContact OD1-NZ 2.85Å |
| 1230 | L | 92.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.4 | -47.9 | -179.4 | 178.2 | 55.7 | 0 | 0 | 0 | 112.1 | I1226 I1227 Y1232 W1233 L1234 F1307 E1309 F1310 L1313 I1356 | I1226-L1230 PolarHBondContact O-N 2.94Å; I1227-L1230 PolarHBondContact O-N 3Å; L1230-Y1232 PolarHBondContact O-N 2.96Å; L1230-W1233 PolarHBondContact O-N 3.43Å; L1230-L1234 HydrophobicContact CD1-CD1 3.78Å; L1230-L1234 HydrophobicContact CD1-CG 3.96Å; L1230-L1234 HydrophobicContact CG-CD1 3.84Å; L1230-L1234 HydrophobicContact CG-CG 4.43Å; L1230-L1234 WeakPolarHBondContact O-CB 3.31Å; L1230-L1234 VanDerWaalsContact O-CG 3.26Å; L1230-L1234 WeakPolarHBondContact O-CG 3.38Å; L1230-L1234 PolarHBondContact O-N 2.94Å; L1230-F1307 HydrophobicContact CD1-CB 3.89Å; L1230-F1307 HydrophobicContact CD1-CD1 3.91Å; L1230-F1307 HydrophobicContact CD1-CG 4.18Å; L1230-E1309 HydrophobicContact CB-CB 3.83Å; L1230-E1309 HydrophobicContact CB-CG 4.5Å; L1230-E1309 HydrophobicContact CD1-CB 4.27Å; L1230-E1309 HydrophobicContact CG-CB 4.42Å; L1230-F1310 HydrophobicContact CD1-CB 3.96Å; L1230-F1310 HydrophobicContact CD2-CB 4.22Å; L1230-F1310 HydrophobicContact CD2-CD2 4.31Å; L1230-L1313 HydrophobicContact CD2-CD1 3.74Å; L1230-I1356 HydrophobicContact CD2-CD1 4.5Å; L1230-I1356 HydrophobicContact CD2-CG2 4.13Å; L1230-I1356 HydrophobicContact CG-CG2 4.32Å |
| 1231 | V | 92.4 | Very high | 82.6 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.3 | -38.9 | -179.6 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | I1227 N1229 A1235 I1356 L1359 A1360 L1363 F1434 | I1227-V1231 HydrophobicContact CG2-CG2 4.12Å; I1227-V1231 WeakPolarHBondContact O-CB 3.32Å; I1227-V1231 WeakPolarHBondContact O-CG2 3.28Å; I1227-V1231 PolarHBondContact O-N 3.04Å; N1229-V1231 PolarHBondContact O-N 3.01Å; V1231-A1235 VanDerWaalsContact O-CB 3.23Å; V1231-A1235 WeakPolarHBondContact O-CB 3.34Å; V1231-A1235 PolarHBondContact O-N 2.85Å; V1231-I1356 HydrophobicContact CG2-CG2 3.95Å; V1231-L1359 HydrophobicContact CG1-CB 4.35Å; V1231-L1359 HydrophobicContact CG1-CG 4.03Å; V1231-L1359 HydrophobicContact CG2-CD2 4.33Å; V1231-A1360 HydrophobicContact CG1-CB 4.11Å; V1231-L1363 HydrophobicContact CG1-CB 4.24Å; V1231-L1363 HydrophobicContact CG1-CD2 3.8Å; V1231-F1434 HydrophobicContact CB-CE1 4.02Å; V1231-F1434 HydrophobicContact CG1-CE1 3.94Å; V1231-F1434 HydrophobicContact CG2-CE1 4.25Å |
| 1232 | Y | 92.8 | Very high | 79.6 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 6% | 0.055 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.7 | -46.5 | 174.7 | 170.6 | -101.2 | 0 | 0 | 0 | 112.4 | V1228 N1229 L1230 L1234 A1235 N1236 L1368 L1373 | V1228-Y1232 WeakPolarHBondContact O-CB 3.4Å; V1228-Y1232 PolarHBondContact O-N 3.25Å; N1229-Y1232 PolarHBondContact O-N 3.28Å; L1230-Y1232 PolarHBondContact O-N 2.96Å; Y1232-L1234 PolarHBondContact O-N 2.95Å; Y1232-A1235 WeakPolarHBondContact O-CB 3.48Å; Y1232-A1235 PolarHBondContact O-N 3.18Å; Y1232-A1235 VanDerWaalsContact O-N 3.16Å; Y1232-N1236 WeakPolarHBondContact CE2-ND2 3.46Å; Y1232-N1236 PolarHBondContact O-N 3.24Å; Y1232-N1236 PolarHBondContact OH-ND2 3.03Å; Y1232-L1368 HydrophobicContact CD2-CB 4.39Å; Y1232-L1368 HydrophobicContact CD2-CD2 3.91Å; Y1232-L1368 HydrophobicContact CE2-CB 4.48Å; Y1232-L1368 HydrophobicContact CE2-CD2 4.44Å; Y1232-L1373 HydrophobicContact CD1-CD2 3.48Å; Y1232-L1373 VanDerWaalsContact CD1-CD2 3.48Å; Y1232-L1373 HydrophobicContact CD2-CD1 4.1Å; Y1232-L1373 HydrophobicContact CD2-CD2 3.82Å; Y1232-L1373 HydrophobicContact CD2-CG 4.37Å; Y1232-L1373 HydrophobicContact CE1-CD2 3.59Å; Y1232-L1373 HydrophobicContact CE2-CB 4.47Å; Y1232-L1373 HydrophobicContact CE2-CD2 3.9Å; Y1232-L1373 HydrophobicContact CG-CD1 3.95Å; Y1232-L1373 HydrophobicContact CG-CD2 3.58Å; Y1232-L1373 HydrophobicContact CG-CG 4.35Å |
| 1233 | W | 89.7 | Confident | 76.6 | Confident | 41 Ų | 41 | 48 Ų | 48 | 16% | 0.155 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.9 | -37.1 | 178.5 | -70 | 114.6 | 0 | 0 | 0 | 112.1 | R1149 N1229 L1230 N1236 D1237 F1307 | R1149-W1233 HydrophobicContact CB-CZ2 4.46Å; R1149-W1233 VanDerWaalsContact CD-CD2 3.45Å; R1149-W1233 VanDerWaalsContact CD-CE2 3.43Å; N1229-W1233 PolarHBondContact O-N 3.37Å; L1230-W1233 PolarHBondContact O-N 3.43Å; W1233-N1236 PolarHBondContact O-N 3.15Å; W1233-D1237 PolarHBondContact O-N 3.42Å; W1233-F1307 HydrophobicContact CB-CD1 4.02Å; W1233-F1307 HydrophobicContact CB-CE1 3.8Å |
| 1234 | L | 89.1 | Confident | 73.5 | Confident | 11 Ų | 11 | 52.5 Ų | 52.5 | 6% | 0.058 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.7 | -35.2 | 170.9 | -71 | 171.2 | 0 | 0 | 0 | 112.1 | L1230 Y1232 N1236 Y1303 F1307 I1356 A1360 R1364 | L1230-L1234 HydrophobicContact CD1-CD1 3.78Å; L1230-L1234 HydrophobicContact CD1-CG 3.96Å; L1230-L1234 HydrophobicContact CG-CD1 3.84Å; L1230-L1234 HydrophobicContact CG-CG 4.43Å; L1230-L1234 WeakPolarHBondContact O-CB 3.31Å; L1230-L1234 VanDerWaalsContact O-CG 3.26Å; L1230-L1234 WeakPolarHBondContact O-CG 3.38Å; L1230-L1234 PolarHBondContact O-N 2.94Å; Y1232-L1234 PolarHBondContact O-N 2.95Å; L1234-N1236 VanDerWaalsContact C-N 3.33Å; L1234-Y1303 HydrophobicContact CD2-CD1 3.44Å; L1234-Y1303 VanDerWaalsContact CD2-CD1 3.44Å; L1234-Y1303 HydrophobicContact CD2-CE1 3.41Å; L1234-Y1303 VanDerWaalsContact CD2-CE1 3.41Å; L1234-Y1303 HydrophobicContact CD2-CG 4.18Å; L1234-F1307 HydrophobicContact CD2-CD1 4.14Å; L1234-F1307 HydrophobicContact CD2-CE1 3.76Å; L1234-F1307 HydrophobicContact CD2-CE2 4.2Å; L1234-F1307 HydrophobicContact CD2-CZ 3.8Å; L1234-F1307 HydrophobicContact CG-CD1 4.27Å; L1234-F1307 HydrophobicContact CG-CE1 4.03Å; L1234-I1356 HydrophobicContact CD1-CG2 3.85Å; L1234-A1360 HydrophobicContact CB-CB 3.63Å; L1234-R1364 PolarHBondContact O-NH2 3.09Å |
| 1235 | A | 88.1 | Confident | 70.3 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65 | -37.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1231 Y1232 A1360 L1363 R1364 | V1231-A1235 VanDerWaalsContact O-CB 3.23Å; V1231-A1235 WeakPolarHBondContact O-CB 3.34Å; V1231-A1235 PolarHBondContact O-N 2.85Å; Y1232-A1235 WeakPolarHBondContact O-CB 3.48Å; Y1232-A1235 PolarHBondContact O-N 3.18Å; Y1232-A1235 VanDerWaalsContact O-N 3.16Å; A1235-A1360 WeakPolarHBondContact CB-O 3.42Å; A1235-L1363 HydrophobicContact CB-CB 4.2Å; A1235-L1363 HydrophobicContact CB-CD2 4.36Å; A1235-L1363 HydrophobicContact CB-CG 4.46Å; A1235-R1364 HydrophobicContact CB-CB 4.07Å; A1235-R1364 WeakPolarHBondContact O-CG 3.47Å; A1235-R1364 VanDerWaalsContact O-CZ 3.3Å; A1235-R1364 PolarHBondContact O-NE 3.2Å; A1235-R1364 PolarHBondContact O-NH2 3.34Å |
| 1236 | N | 84.4 | Confident | 67 | Low | 51 Ų | 51 | 61.6 Ų | 61.6 | 27% | 0.273 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -97 | 5.1 | -176.9 | -68.4 | -10.3 | 0 | 0 | 0 | 114.7 | Y1232 W1233 L1234 H1238 | Y1232-N1236 WeakPolarHBondContact CE2-ND2 3.46Å; Y1232-N1236 PolarHBondContact O-N 3.24Å; Y1232-N1236 PolarHBondContact OH-ND2 3.03Å; W1233-N1236 PolarHBondContact O-N 3.15Å; L1234-N1236 VanDerWaalsContact C-N 3.33Å; N1236-H1238 PolarHBondContact O-CD2 3.06Å; N1236-H1238 PolarHBondContact O-N 2.75Å |
| 1237 | D | 77.6 | Confident | 63.9 | Low | 31 Ų | 31 | 67.9 Ų | 67.9 | 17% | 0.166 | 36% | 0.361 | C | S | . | . | trans | -72.7 | 118 | 170.5 | 174.3 | 35 | 0 | 0 | 0 | 112.1 | W1233 K1239 F1307 R1364 | W1233-D1237 PolarHBondContact O-N 3.42Å; D1237-K1239 PolarHBondContact OD1-N 3.18Å; D1237-F1307 HydrophobicContact CB-CZ 4.28Å; D1237-R1364 PolarHBondContact O-NH2 2.78Å | ||
| 1238 | H | 59.1 | Low | 60.6 | Low | 152 Ų | 152 | 73.8 Ų | 73.8 | 70% | 0.704 | 40% | 0.402 | S | S | * | . | trans | -101.6 | 6.9 | 178 | -69 | -85.4 | 0 | 0 | 0 | 113.8 | N1236 M1287 | N1236-H1238 PolarHBondContact O-CD2 3.06Å; N1236-H1238 PolarHBondContact O-N 2.75Å; H1238-M1287 WeakPolarHBondContact O-CE 3.4Å | ||
| 1239 | K | 51.7 | Low | 57.6 | Low | 151 Ų | 151 | 79.8 Ų | 79.8 | 66% | 0.657 | 44% | 0.439 | S | S | * | . | trans | -137.2 | 72.2 | -174.3 | -70.6 | -175.4 | 179 | 172.8 | 0 | 115.7 | D1237 R1241 Y1302 | D1237-K1239 PolarHBondContact OD1-N 3.18Å; K1239-R1241 PolarHBondContact O-N 3.44Å; K1239-Y1302 PolarHBondContact O-OH 3.16Å | ||
| 1240 | P | 39.8 | Very low | 54.4 | Low | 52 Ų | 52 | 84.7 Ų | 84.7 | 34% | 0.338 | 47% | 0.474 | S | S | . | . | trans | -70.1 | 76 | 145.8 | 33.1 | -32.3 | 0 | 0 | 0 | 108.6 | ||||
| 1241 | R | 34.1 | Very low | 51.5 | Low | 224 Ų | 224 | 94.5 Ų | 94.5 | 85% | 0.845 | 52% | 0.517 | S | S | * | . | trans | -64.8 | 137.7 | 176.4 | -156.7 | 179.8 | -161.6 | -170 | 4.6 | 108 | K1239 L1243 | K1239-R1241 PolarHBondContact O-N 3.44Å; R1241-L1243 PolarHBondContact O-N 3.16Å; R1241-L1243 VanDerWaalsContact O-N 3.16Å | ||
| 1242 | S | 29.2 | Very low | 48.6 | Very low | 96 Ų | 96 | 102.2 Ų | 102.2 | 67% | 0.671 | 56% | 0.557 | S | S | * | * | trans | -46.5 | 120.5 | -177 | 52.4 | 0 | 0 | 0 | 0 | 111.7 | S1244 | S1242-S1244 PolarHBondContact O-N 3.02Š| ||
| 1243 | L | 31.9 | Very low | 45.8 | Very low | 131 Ų | 131 | 106 Ų | 106 | 69% | 0.686 | 58% | 0.583 | S | S | * | * | trans | -64 | 98 | 174 | -166.8 | 73.5 | 0 | 0 | 0 | 107.9 | R1241 T1245 | R1241-L1243 PolarHBondContact O-N 3.16Å; R1241-L1243 VanDerWaalsContact O-N 3.16Å; L1243-T1245 PolarHBondContact O-N 3.36Å | ||
| 1244 | S | 26.7 | Very low | 42.9 | Very low | 103 Ų | 103 | 110.3 Ų | 110.3 | 72% | 0.72 | 61% | 0.609 | S | S | * | * | trans | -73.1 | 95.5 | -177.4 | 53 | 0 | 0 | 0 | 0 | 108.9 | S1242 S1246 | S1242-S1244 PolarHBondContact O-N 3.02Å; S1244-S1246 PolarHBondContact O-N 2.75Å | ||
| 1245 | T | 27.1 | Very low | 40.2 | Very low | 110 Ų | 110 | 116.3 Ų | 116.3 | 68% | 0.675 | 65% | 0.647 | S | S | * | * | trans | -56.2 | 99.4 | 176.3 | 50.6 | 0 | 0 | 0 | 0 | 110.3 | L1243 N1247 | L1243-T1245 PolarHBondContact O-N 3.36Å; T1245-N1247 PolarHBondContact O-N 2.82Å | ||
| 1246 | S | 26.7 | Very low | 37.4 | Very low | 109 Ų | 109 | 122.2 Ų | 122.2 | 76% | 0.762 | 68% | 0.682 | S | S | * | * | trans | -75 | 59.5 | 173.5 | 59.1 | 0 | 0 | 0 | 0 | 110.6 | S1244 S1248 | S1244-S1246 PolarHBondContact O-N 2.75Å; S1246-S1248 VanDerWaalsContact C-N 3.32Å; S1246-S1248 PolarHBondContact O-N 3.42Å | ||
| 1247 | N | 28.3 | Very low | 34.9 | Very low | 134 Ų | 134 | 124.7 Ų | 124.7 | 72% | 0.717 | 70% | 0.702 | S | S | * | * | trans | -72.8 | 89.5 | 174.5 | -85.5 | -4.3 | 0 | 0 | 0 | 109.2 | T1245 T1249 | T1245-N1247 PolarHBondContact O-N 2.82Å; N1247-T1249 PolarHBondContact O-N 3.35Å | ||
| 1248 | S | 24.8 | Very low | 32.4 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | trans | -71.3 | 71.1 | 174.3 | 42.3 | 0 | 0 | 0 | 0 | 111.7 | S1246 | S1246-S1248 VanDerWaalsContact C-N 3.32Å; S1246-S1248 PolarHBondContact O-N 3.42Å | ||
| 1249 | T | 31.1 | Very low | 31.1 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | trans | -119.6 | 115.5 | 167.8 | 42 | 0 | 0 | 0 | 0 | 110.8 | N1247 | N1247-T1249 PolarHBondContact O-N 3.35Š| ||
| 1250 | S | 26.2 | Very low | 30 | Very low | 115 Ų | 115 | 128.2 Ų | 128.2 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | -84.9 | 137.5 | -172.2 | 47.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1251 | K | 31.5 | Very low | 29.3 | Very low | 206 Ų | 206 | 131 Ų | 131 | 90% | 0.896 | 76% | 0.756 | S | S | * | * | trans | -166.7 | 101.6 | 150 | -108.4 | 158.4 | -173.3 | 176 | 0 | 111.6 | ||||
| 1252 | L | 31.1 | Very low | 29 | Very low | 161 Ų | 161 | 125.8 Ų | 125.8 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | -76.3 | -178 | 158.8 | -117.4 | 80.5 | 0 | 0 | 0 | 109.1 | ||||
| 1253 | P | 34.7 | Very low | 29.1 | Very low | 94 Ų | 94 | 129 Ų | 129 | 61% | 0.61 | 76% | 0.759 | S | S | * | * | cis | -139.8 | 178.6 | 17.8 | 47.1 | -30 | 0 | 0 | 0 | 117.6 | ||||
| 1254 | D | 27.5 | Very low | 28.9 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | trans | 58.1 | 138.9 | 152 | -51 | -31.5 | 0 | 0 | 0 | 120 | ||||
| 1255 | T | 33.3 | Very low | 28.9 | Very low | 137 Ų | 137 | 129.3 Ų | 129.3 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | cis | -140.4 | 172.6 | 34.8 | 40.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1256 | T | 28.3 | Very low | 28.8 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | trans | -114.4 | -171.5 | -171.8 | 48.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 1257 | P | 32.1 | Very low | 29 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | cis | -136.3 | 176 | -16 | 27.1 | -3.3 | 0 | 0 | 0 | 116.2 | ||||
| 1258 | T | 25.3 | Very low | 28.9 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | 40.9 | 140.1 | 141.8 | 59.7 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1259 | I | 31.6 | Very low | 29.2 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | -161.1 | 125.5 | 101.4 | -95.9 | 156.8 | 0 | 0 | 0 | 112.7 | |||||
| 1260 | N | 29.3 | Very low | 28.9 | Very low | 141 Ų | 141 | 136.6 Ų | 136.6 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | 20.7 | 135.2 | 153.4 | -49.4 | -6.5 | 0 | 0 | 0 | 123.5 | ||||
| 1261 | S | 24.9 | Very low | 29.3 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | -53.9 | 167.6 | 143.7 | -37.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1262 | T | 27.5 | Very low | 29.2 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 71% | 0.712 | 77% | 0.766 | S | S | * | * | cis | -153.4 | 157.6 | 31.1 | 48 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1263 | D | 30.8 | Very low | 29 | Very low | 162 Ų | 162 | 134 Ų | 134 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | -162.5 | 170 | 126.8 | -104.1 | -25.1 | 0 | 0 | 0 | 112 | |||||
| 1264 | I | 28.6 | Very low | 28.6 | Very low | 145 Ų | 145 | 136.7 Ų | 136.7 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | trans | -123.4 | 138.7 | -154.1 | -69.6 | 173.3 | 0 | 0 | 0 | 113.8 | ||||
| 1265 | S | 25.7 | Very low | 28.6 | Very low | 96 Ų | 96 | 134.2 Ų | 134.2 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | trans | 74.5 | 137 | 156.7 | 69.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 1266 | N | 26.6 | Very low | 28.5 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | trans | 57.5 | 99.9 | 141.3 | -57.3 | 4.4 | 0 | 0 | 0 | 119.3 | ||||
| 1267 | I | 29.5 | Very low | 28.7 | Very low | 159 Ų | 159 | 132.1 Ų | 132.1 | 82% | 0.815 | 75% | 0.754 | S | S | * | * | -142.5 | 144.6 | 117.9 | -96 | 143.8 | 0 | 0 | 0 | 108 | |||||
| 1268 | T | 25.9 | Very low | 28.7 | Very low | 135 Ų | 135 | 131.1 Ų | 131.1 | 83% | 0.828 | 74% | 0.743 | S | S | * | * | trans | -89.1 | 127.1 | 177.7 | 47 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1269 | D | 31.4 | Very low | 29.1 | Very low | 149 Ų | 149 | 131 Ų | 131 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | trans | -148.8 | 132.5 | 164 | -86 | -54.4 | 0 | 0 | 0 | 109.1 | ||||
| 1270 | D | 26.1 | Very low | 29.1 | Very low | 163 Ų | 163 | 127.4 Ų | 127.4 | 87% | 0.872 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 128.3 | -177.7 | -67.5 | -65.1 | 0 | 0 | 0 | 112.6 | ||
| 1271 | P | 33.4 | Very low | 29.3 | Very low | 118 Ų | 118 | 124.6 Ų | 124.6 | 77% | 0.766 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 139.5 | 167.5 | 32.7 | -31.7 | 0 | 0 | 0 | 111.2 | ||
| 1272 | P | 30 | Very low | 29.7 | Very low | 116 Ų | 116 | 123 Ų | 123 | 75% | 0.753 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 150.5 | -161 | 31.1 | -37.6 | 0 | 0 | 0 | 115.8 | N1274 | P1272-N1274 PolarHBondContact O-N 3.33Š|
| 1273 | E | 26.2 | Very low | 29.7 | Very low | 193 Ų | 193 | 120.8 Ų | 120.8 | 90% | 0.902 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -65.8 | 87.6 | 163.3 | -64.3 | -171.1 | 129.3 | 0 | 0 | 111.5 | ||
| 1274 | N | 26 | Very low | 29.8 | Very low | 151 Ų | 151 | 116.6 Ų | 116.6 | 81% | 0.807 | 66% | 0.658 | S | S | * | * | trans | -168.6 | 109 | 161.2 | -100.2 | -52.1 | 0 | 0 | 0 | 112.2 | P1272 | P1272-N1274 PolarHBondContact O-N 3.33Š| ||
| 1275 | S | 28 | Very low | 30.1 | Very low | 79 Ų | 79 | 113.5 Ų | 113.5 | 55% | 0.552 | 64% | 0.642 | S | S | * | * | trans | 167.6 | -13.2 | 162 | 43.1 | 0 | 0 | 0 | 0 | 115.2 | S1277 | S1275-S1277 PolarHBondContact O-N 3.36Å; S1275-S1277 VanDerWaalsContact O-N 3.09Å | ||
| 1276 | I | 31.6 | Very low | 30.3 | Very low | 147 Ų | 147 | 114.8 Ų | 114.8 | 75% | 0.754 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.4 | -18.3 | -170 | -63.3 | 174.9 | 0 | 0 | 0 | 113.5 | D1278 | I1276-D1278 VanDerWaalsContact C-N 3.34Å; I1276-D1278 PolarHBondContact O-N 2.97Å |
| 1277 | S | 32.7 | Very low | 30.5 | Very low | 73 Ų | 73 | 110.9 Ų | 110.9 | 51% | 0.51 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -59.4 | -33.8 | -179.2 | 44.5 | 0 | 0 | 0 | 0 | 115.4 | S1275 | S1275-S1277 PolarHBondContact O-N 3.36Å; S1275-S1277 VanDerWaalsContact O-N 3.09Å |
| 1278 | D | 32 | Very low | 31 | Very low | 83 Ų | 83 | 110.6 Ų | 110.6 | 44% | 0.444 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -105.9 | -30.1 | -165.4 | -64.1 | -69 | 0 | 0 | 0 | 113.3 | I1276 S1280 K1281 D1282 | I1276-D1278 VanDerWaalsContact C-N 3.34Å; I1276-D1278 PolarHBondContact O-N 2.97Å; D1278-S1280 PolarHBondContact O-N 2.93Å; D1278-K1281 PolarHBondContact O-N 3.42Å; D1278-K1281 IonicContact OD1-NZ 2.69Å; D1278-K1281 PolarHBondContact OD1-NZ 2.88Å; D1278-D1282 PolarHBondContact O-N 3.49Å |
| 1279 | I | 33.2 | Very low | 31.5 | Very low | 112 Ų | 112 | 111.9 Ų | 111.9 | 57% | 0.574 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -57 | -36.9 | 168.8 | -58.7 | 173.8 | 0 | 0 | 0 | 110.8 | K1281 D1282 C1283 | I1279-K1281 VanDerWaalsContact C-N 3.32Å; I1279-K1281 PolarHBondContact O-N 3.42Å; I1279-D1282 PolarHBondContact O-N 2.97Å; I1279-C1283 WeakPolarHBondContact O-CB 3.47Å; I1279-C1283 PolarHBondContact O-N 2.92Å; I1279-C1283 VanDerWaalsContact O-N 3.09Å |
| 1280 | S | 32.4 | Very low | 31.8 | Very low | 77 Ų | 77 | 108.5 Ų | 108.5 | 54% | 0.538 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -57.1 | -42.2 | 175.5 | -179.7 | 0 | 0 | 0 | 0 | 112.9 | D1278 T1284 | D1278-S1280 PolarHBondContact O-N 2.93Å; S1280-T1284 PolarHBondContact O-N 2.87Å; S1280-T1284 PolarHBondContact O-OG1 3.3Å |
| 1281 | K | 33.1 | Very low | 32.8 | Very low | 83 Ų | 83 | 103.2 Ų | 103.2 | 36% | 0.361 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.9 | -46.2 | -179.3 | -55.9 | 172.1 | -169.9 | 157.8 | 0 | 110.2 | I513 D1278 I1279 T1284 I1285 | I513-K1281 HydrophobicContact CD1-CB 3.41Å; I513-K1281 VanDerWaalsContact CD1-CB 3.41Å; I513-K1281 VanDerWaalsContact CD1-O 3.27Å; I513-K1281 WeakPolarHBondContact CD1-O 3.18Å; I513-K1281 HydrophobicContact CG1-CB 3.64Å; I513-K1281 HydrophobicContact CG1-CD 4.44Å; D1278-K1281 PolarHBondContact O-N 3.42Å; D1278-K1281 IonicContact OD1-NZ 2.69Å; D1278-K1281 PolarHBondContact OD1-NZ 2.88Å; I1279-K1281 VanDerWaalsContact C-N 3.32Å; I1279-K1281 PolarHBondContact O-N 3.42Å; K1281-T1284 WeakPolarHBondContact O-CA 3.42Å; K1281-T1284 VanDerWaalsContact O-CB 3.23Å; K1281-T1284 WeakPolarHBondContact O-CB 3.22Å; K1281-T1284 PolarHBondContact O-N 3.32Å; K1281-I1285 PolarHBondContact O-N 2.9Å; K1281-I1285 VanDerWaalsContact O-N 3.16Å |
| 1282 | D | 32.3 | Very low | 33.5 | Very low | 76 Ų | 76 | 105.7 Ų | 105.7 | 41% | 0.406 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.7 | -39.2 | -174.3 | -112.4 | -47.3 | 0 | 0 | 0 | 112.6 | I513 D1278 I1279 T1284 I1285 Q1286 | I513-D1282 HydrophobicContact CD1-CB 4.27Å; D1278-D1282 PolarHBondContact O-N 3.49Å; I1279-D1282 PolarHBondContact O-N 2.97Å; D1282-T1284 PolarHBondContact O-N 2.9Å; D1282-I1285 PolarHBondContact O-N 3.28Å; D1282-I1285 VanDerWaalsContact O-N 3.12Å; D1282-Q1286 PolarHBondContact O-N 3.33Å |
| 1283 | C | 28.1 | Very low | 34.2 | Very low | 69 Ų | 69 | 104.6 Ų | 104.6 | 47% | 0.466 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -53.1 | -38.6 | 166.8 | -85.9 | 0 | 0 | 0 | 0 | 112.1 | I1279 M1287 | I1279-C1283 WeakPolarHBondContact O-CB 3.47Å; I1279-C1283 PolarHBondContact O-N 2.92Å; I1279-C1283 VanDerWaalsContact O-N 3.09Å; C1283-M1287 VanDerWaalsContact O-CB 3.29Å; C1283-M1287 WeakPolarHBondContact O-CB 3.45Å; C1283-M1287 VanDerWaalsContact O-CG 3.32Å; C1283-M1287 WeakPolarHBondContact O-CG 3.34Å; C1283-M1287 PolarHBondContact O-N 2.68Å |
| 1284 | T | 32.7 | Very low | 35.5 | Very low | 73 Ų | 73 | 97.7 Ų | 97.7 | 45% | 0.448 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.3 | -33.7 | 179.7 | -56.7 | 0 | 0 | 0 | 0 | 112.8 | S1280 K1281 D1282 K1288 | S1280-T1284 PolarHBondContact O-N 2.87Å; S1280-T1284 PolarHBondContact O-OG1 3.3Å; K1281-T1284 WeakPolarHBondContact O-CA 3.42Å; K1281-T1284 VanDerWaalsContact O-CB 3.23Å; K1281-T1284 WeakPolarHBondContact O-CB 3.22Å; K1281-T1284 PolarHBondContact O-N 3.32Å; D1282-T1284 PolarHBondContact O-N 2.9Å; T1284-K1288 WeakPolarHBondContact O-CG 3.35Å; T1284-K1288 PolarHBondContact O-N 3.21Å |
| 1285 | I | 35.8 | Very low | 37 | Very low | 81 Ų | 81 | 93.7 Ų | 93.7 | 42% | 0.415 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -78 | -41.1 | 174.7 | -63.6 | -163.9 | 0 | 0 | 0 | 111.4 | I513 K1281 D1282 K1288 K1289 | I513-I1285 HydrophobicContact CB-CD1 4.22Å; I513-I1285 HydrophobicContact CD1-CB 4.42Å; I513-I1285 HydrophobicContact CD1-CD1 3.58Å; I513-I1285 HydrophobicContact CD1-CG1 3.77Å; I513-I1285 HydrophobicContact CG1-CD1 4.09Å; K1281-I1285 PolarHBondContact O-N 2.9Å; K1281-I1285 VanDerWaalsContact O-N 3.16Å; D1282-I1285 PolarHBondContact O-N 3.28Å; D1282-I1285 VanDerWaalsContact O-N 3.12Å; I1285-K1288 PolarHBondContact O-N 3.49Å; I1285-K1289 PolarHBondContact O-N 2.93Å |
| 1286 | Q | 30.3 | Very low | 38.6 | Very low | 122 Ų | 122 | 91.7 Ų | 91.7 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.6 | -42.8 | 175.9 | -65.7 | -148.4 | 22.6 | 0 | 0 | 112.1 | D1282 K1288 K1289 I1290 | D1282-Q1286 PolarHBondContact O-N 3.33Å; Q1286-K1288 PolarHBondContact O-N 3.3Å; Q1286-K1289 PolarHBondContact O-N 3.43Å; Q1286-I1290 WeakPolarHBondContact O-CG1 3.41Å; Q1286-I1290 PolarHBondContact O-N 2.84Å |
| 1287 | M | 29.8 | Very low | 39.8 | Very low | 70 Ų | 70 | 89.1 Ų | 89.1 | 35% | 0.345 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.7 | -30.8 | 172.9 | -77.4 | -168.7 | -175.7 | 0 | 0 | 113 | H1238 C1283 N1291 | H1238-M1287 WeakPolarHBondContact O-CE 3.4Å; C1283-M1287 VanDerWaalsContact O-CB 3.29Å; C1283-M1287 WeakPolarHBondContact O-CB 3.45Å; C1283-M1287 VanDerWaalsContact O-CG 3.32Å; C1283-M1287 WeakPolarHBondContact O-CG 3.34Å; C1283-M1287 PolarHBondContact O-N 2.68Å; M1287-N1291 VanDerWaalsContact O-CB 3.26Å; M1287-N1291 WeakPolarHBondContact O-CB 3.26Å; M1287-N1291 PolarHBondContact O-N 2.82Å; M1287-N1291 PolarHBondContact O-ND2 3.3Å |
| 1288 | K | 39.3 | Very low | 41 | Very low | 153 Ų | 153 | 90.7 Ų | 90.7 | 67% | 0.665 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -72.9 | -24 | 174.2 | -81.7 | -179.9 | 178 | 179.5 | 0 | 113.8 | T1284 I1285 Q1286 | T1284-K1288 WeakPolarHBondContact O-CG 3.35Å; T1284-K1288 PolarHBondContact O-N 3.21Å; I1285-K1288 PolarHBondContact O-N 3.49Å; Q1286-K1288 PolarHBondContact O-N 3.3Å |
| 1289 | K | 36.6 | Very low | 42.8 | Very low | 161 Ų | 161 | 88 Ų | 88 | 70% | 0.7 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -78.4 | -50.4 | 168.2 | -75.2 | -175.7 | 174.6 | 179.2 | 0 | 111.1 | I1285 Q1286 N1291 K1292 | I1285-K1289 PolarHBondContact O-N 2.93Å; Q1286-K1289 PolarHBondContact O-N 3.43Å; K1289-N1291 PolarHBondContact O-N 2.77Å; K1289-K1292 PolarHBondContact O-N 3.49Å |
| 1290 | I | 37.9 | Very low | 44.4 | Very low | 79 Ų | 79 | 84.3 Ų | 84.3 | 41% | 0.405 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.8 | -39.1 | -175.8 | -63.6 | 165.4 | 0 | 0 | 0 | 112.1 | Q1286 K1292 S1293 | Q1286-I1290 WeakPolarHBondContact O-CG1 3.41Å; Q1286-I1290 PolarHBondContact O-N 2.84Å; I1290-K1292 PolarHBondContact O-N 2.93Å; I1290-K1292 VanDerWaalsContact O-N 3.13Å; I1290-S1293 PolarHBondContact O-N 3.36Å; I1290-S1293 VanDerWaalsContact O-N 3.15Å; I1290-S1293 PolarHBondContact O-OG 3.1Å; I1290-S1293 VanDerWaalsContact O-OG 3.1Å |
| 1291 | N | 47.5 | Very low | 45.9 | Very low | 52 Ų | 52 | 86.3 Ų | 86.3 | 28% | 0.278 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -16.3 | 178.8 | -86 | -74 | 0 | 0 | 0 | 114.4 | M1287 K1289 K1299 | M1287-N1291 VanDerWaalsContact O-CB 3.26Å; M1287-N1291 WeakPolarHBondContact O-CB 3.26Å; M1287-N1291 PolarHBondContact O-N 2.82Å; M1287-N1291 PolarHBondContact O-ND2 3.3Å; K1289-N1291 PolarHBondContact O-N 2.77Å; N1291-K1299 PolarHBondContact O-NZ 2.95Å |
| 1292 | K | 49 | Very low | 47.8 | Very low | 170 Ų | 170 | 86 Ų | 86 | 74% | 0.739 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -14.9 | 175.5 | -79 | -167.3 | 169.9 | -165.4 | 0 | 114.4 | K1289 I1290 | K1289-K1292 PolarHBondContact O-N 3.49Å; I1290-K1292 PolarHBondContact O-N 2.93Å; I1290-K1292 VanDerWaalsContact O-N 3.13Å |
| 1293 | S | 43.3 | Very low | 50 | Low | 92 Ų | 92 | 83.4 Ų | 83.4 | 64% | 0.643 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | -13.1 | -172.6 | 59.3 | 0 | 0 | 0 | 0 | 115.1 | I1290 | I1290-S1293 PolarHBondContact O-N 3.36Å; I1290-S1293 VanDerWaalsContact O-N 3.15Å; I1290-S1293 PolarHBondContact O-OG 3.1Å; I1290-S1293 VanDerWaalsContact O-OG 3.1Å |
| 1294 | V | 54.4 | Low | 51.9 | Low | 49 Ų | 49 | 83.1 Ų | 83.1 | 30% | 0.297 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -97 | 121.1 | 178.5 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | E1298 K1299 | V1294-E1298 HydrophobicContact CG1-CB 4.05Å; V1294-K1299 HydrophobicContact CG1-CD 4.48Å; V1294-K1299 HydrophobicContact CG1-CG 3.96Å; V1294-K1299 VanDerWaalsContact O-CE 3.31Å; V1294-K1299 WeakPolarHBondContact O-CE 3.46Å; V1294-K1299 PolarHBondContact O-NZ 2.76Å |
| 1295 | P | 57.4 | Low | 53.6 | Low | 67 Ų | 67 | 82 Ų | 82 | 44% | 0.435 | 41% | 0.408 | S | S | . | . | trans | -52.9 | 159.9 | 174.7 | -26.9 | 35.8 | 0 | 0 | 0 | 113.1 | D1297 | P1295-D1297 VanDerWaalsContact C-N 3.26Å; P1295-D1297 PolarHBondContact O-N 3.24Å | ||
| 1296 | L | 60.4 | Low | 55.5 | Low | 37 Ų | 37 | 79.5 Ų | 79.5 | 19% | 0.194 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.3 | -33.2 | 177.4 | -174.4 | 60.9 | 0 | 0 | 0 | 111.2 | K1299 M1300 T1350 K1354 | L1296-K1299 WeakPolarHBondContact O-CA 3.49Å; L1296-K1299 WeakPolarHBondContact O-CB 3.27Å; L1296-K1299 PolarHBondContact O-N 2.92Å; L1296-M1300 PolarHBondContact O-N 3.39Å; L1296-T1350 HydrophobicContact CD2-CG2 4.33Å; L1296-K1354 HydrophobicContact CD2-CB 3.84Å; L1296-K1354 HydrophobicContact CD2-CG 4.34Å |
| 1297 | D | 58.1 | Low | 58.1 | Low | 93 Ų | 93 | 74.1 Ų | 74.1 | 50% | 0.497 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.4 | -43 | -173.6 | -43.5 | -74.9 | 0 | 0 | 0 | 111.7 | P1295 K1299 M1300 | P1295-D1297 VanDerWaalsContact C-N 3.26Å; P1295-D1297 PolarHBondContact O-N 3.24Å; D1297-K1299 PolarHBondContact O-N 2.9Å; D1297-K1299 VanDerWaalsContact O-N 3.15Å; D1297-M1300 WeakPolarHBondContact O-CB 3.38Å; D1297-M1300 PolarHBondContact O-N 2.93Å |
| 1298 | E | 58.4 | Low | 60.6 | Low | 106 Ų | 106 | 71.1 Ų | 71.1 | 50% | 0.495 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.3 | -22.5 | 172 | -67.5 | -173.2 | 162.3 | 0 | 0 | 113.1 | V1294 | V1294-E1298 HydrophobicContact CG1-CB 4.05Å |
| 1299 | K | 68.2 | Low | 63 | Low | 26 Ų | 26 | 64.4 Ų | 64.4 | 11% | 0.113 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -84.2 | -18.6 | 174.7 | -56.4 | 176.8 | -167.7 | 177.4 | 0 | 112.2 | N1291 V1294 L1296 D1297 Y1302 Y1303 | N1291-K1299 PolarHBondContact O-NZ 2.95Å; V1294-K1299 HydrophobicContact CG1-CD 4.48Å; V1294-K1299 HydrophobicContact CG1-CG 3.96Å; V1294-K1299 VanDerWaalsContact O-CE 3.31Å; V1294-K1299 WeakPolarHBondContact O-CE 3.46Å; V1294-K1299 PolarHBondContact O-NZ 2.76Å; L1296-K1299 WeakPolarHBondContact O-CA 3.49Å; L1296-K1299 WeakPolarHBondContact O-CB 3.27Å; L1296-K1299 PolarHBondContact O-N 2.92Å; D1297-K1299 PolarHBondContact O-N 2.9Å; D1297-K1299 VanDerWaalsContact O-N 3.15Å; K1299-Y1302 PolarHBondContact O-N 3.28Å; K1299-Y1303 HydrophobicContact CB-CD2 4.19Å; K1299-Y1303 HydrophobicContact CB-CE2 3.61Å; K1299-Y1303 WeakPolarHBondContact O-CD2 3.44Å; K1299-Y1303 VanDerWaalsContact O-CG 3.31Å; K1299-Y1303 PolarHBondContact O-N 3.39Å |
| 1300 | M | 66.6 | Low | 65.4 | Low | 34 Ų | 34 | 57 Ų | 57 | 17% | 0.167 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.1 | -38.4 | -178.9 | -68.2 | -172.7 | 66.1 | 0 | 0 | 112.2 | L1296 D1297 Y1302 Y1303 Y1304 F1310 Y1353 | L1296-M1300 PolarHBondContact O-N 3.39Å; D1297-M1300 WeakPolarHBondContact O-CB 3.38Å; D1297-M1300 PolarHBondContact O-N 2.93Å; M1300-Y1302 VanDerWaalsContact C-N 3.34Å; M1300-Y1302 PolarHBondContact O-N 3.42Å; M1300-Y1303 PolarHBondContact O-N 3.04Å; M1300-Y1304 VanDerWaalsContact O-CB 3.3Å; M1300-Y1304 WeakPolarHBondContact O-CB 3.36Å; M1300-Y1304 PolarHBondContact O-N 3.43Å; M1300-F1310 HydrophobicContact CB-CZ 4.31Å; M1300-F1310 HydrophobicContact CE-CE1 4.49Å; M1300-F1310 HydrophobicContact CE-CZ 3.97Å; M1300-F1310 HydrophobicContact CG-CZ 4.24Å; M1300-Y1353 HydrophobicContact CE-CD2 3.6Å; M1300-Y1353 HydrophobicContact CE-CE2 3.97Å; M1300-Y1353 HydrophobicContact CE-CG 4.26Å |
| 1301 | D | 64.8 | Low | 67.5 | Low | 120 Ų | 120 | 54.7 Ų | 54.7 | 64% | 0.642 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64.4 | -39.4 | 175.6 | -70.5 | -23.2 | 0 | 0 | 0 | 111.9 | S1305 | D1301-S1305 WeakPolarHBondContact O-CB 3.37Å; D1301-S1305 PolarHBondContact O-N 3.29Å; D1301-S1305 PolarHBondContact O-OG 3.38Å |
| 1302 | Y | 74 | Confident | 69.3 | Low | 77 Ų | 77 | 52.5 Ų | 52.5 | 30% | 0.302 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 172.7 | 174.6 | -96.4 | 0 | 0 | 0 | 111.5 | K1239 K1299 M1300 S1305 N1306 F1307 | K1239-Y1302 PolarHBondContact O-OH 3.16Å; K1299-Y1302 PolarHBondContact O-N 3.28Å; M1300-Y1302 VanDerWaalsContact C-N 3.34Å; M1300-Y1302 PolarHBondContact O-N 3.42Å; Y1302-S1305 PolarHBondContact O-N 3.44Å; Y1302-N1306 WeakPolarHBondContact CD2-ND2 3.41Å; Y1302-N1306 WeakPolarHBondContact CE2-ND2 3.28Å; Y1302-N1306 WeakPolarHBondContact O-CB 3.48Å; Y1302-N1306 PolarHBondContact O-N 2.64Å; Y1302-N1306 PolarHBondContact O-ND2 3.08Å; Y1302-F1307 AromaticContact CE1-CE2 3.95Å; Y1302-F1307 HydrophobicContact CE1-CE2 3.95Å |
| 1303 | Y | 76.9 | Confident | 71.1 | Confident | 20 Ų | 20 | 44.4 Ų | 44.4 | 8% | 0.078 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.1 | -42.4 | 178.1 | -62.2 | -40.6 | 0 | 0 | 0 | 112.5 | L1234 K1299 M1300 S1305 N1306 F1307 F1310 Y1357 | L1234-Y1303 HydrophobicContact CD2-CD1 3.44Å; L1234-Y1303 VanDerWaalsContact CD2-CD1 3.44Å; L1234-Y1303 HydrophobicContact CD2-CE1 3.41Å; L1234-Y1303 VanDerWaalsContact CD2-CE1 3.41Å; L1234-Y1303 HydrophobicContact CD2-CG 4.18Å; K1299-Y1303 HydrophobicContact CB-CD2 4.19Å; K1299-Y1303 HydrophobicContact CB-CE2 3.61Å; K1299-Y1303 WeakPolarHBondContact O-CD2 3.44Å; K1299-Y1303 VanDerWaalsContact O-CG 3.31Å; K1299-Y1303 PolarHBondContact O-N 3.39Å; M1300-Y1303 PolarHBondContact O-N 3.04Å; Y1303-S1305 VanDerWaalsContact C-N 3.27Å; Y1303-S1305 PolarHBondContact O-N 3.35Å; Y1303-N1306 PolarHBondContact O-N 2.99Å; Y1303-F1307 HydrophobicContact CD1-CD2 4.07Å; Y1303-F1307 AromaticContact CD1-CE2 3.82Å; Y1303-F1307 HydrophobicContact CD1-CE2 3.82Å; Y1303-F1307 HydrophobicContact CD1-CZ 4.49Å; Y1303-F1307 HydrophobicContact CE1-CE2 4.47Å; Y1303-F1307 WeakPolarHBondContact O-CB 3.49Å; Y1303-F1307 WeakPolarHBondContact O-CD2 3.41Å; Y1303-F1307 PolarHBondContact O-N 2.88Å; Y1303-F1310 HydrophobicContact CD2-CE2 4.2Å; Y1303-F1310 HydrophobicContact CG-CE2 4.35Å; Y1303-Y1357 HydrophobicContact CE2-CD2 4.5Å; Y1303-Y1357 VanDerWaalsContact OH-CE2 3.29Å; Y1303-Y1357 WeakPolarHBondContact OH-CE2 3.38Å |
| 1304 | Y | 69 | Low | 73 | Confident | 64 Ų | 64 | 41.6 Ų | 41.6 | 25% | 0.251 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.9 | -34 | 176.1 | -169.2 | -99.1 | 0 | 0 | 0 | 112.5 | M1300 F1310 H1311 N1314 N1315 K1318 | M1300-Y1304 VanDerWaalsContact O-CB 3.3Å; M1300-Y1304 WeakPolarHBondContact O-CB 3.36Å; M1300-Y1304 PolarHBondContact O-N 3.43Å; Y1304-F1310 HydrophobicContact CD2-CD1 4.3Å; Y1304-H1311 AromaticContact CD1-CD2 3.88Å; Y1304-H1311 HydrophobicContact CD2-CB 4.32Å; Y1304-H1311 AromaticContact CE1-CD2 3.42Å; Y1304-H1311 VanDerWaalsContact CE1-CD2 3.42Å; Y1304-H1311 WeakPolarHBondContact CE1-CD2 3.41Å; Y1304-H1311 AromaticContact CE1-NE2 3.7Å; Y1304-H1311 HydrophobicContact CE2-CB 4.32Å; Y1304-H1311 AromaticContact CE2-CD2 3.62Å; Y1304-H1311 AromaticContact CE2-CG 3.94Å; Y1304-H1311 AromaticContact CZ-CD2 3.28Å; Y1304-H1311 AromaticContact CZ-NE2 3.46Å; Y1304-H1311 PolarHBondContact OH-NE2 3.32Å; Y1304-N1314 HydrophobicContact CD2-CB 3.96Å; Y1304-N1314 VanDerWaalsContact CD2-ND2 3.3Å; Y1304-N1314 WeakPolarHBondContact CD2-ND2 3.45Å; Y1304-N1314 HydrophobicContact CE2-CB 3.95Å; Y1304-N1314 WeakPolarHBondContact CE2-ND2 3.43Å; Y1304-N1315 PolarHBondContact OH-OD1 2.98Å; Y1304-K1318 PolarHBondContact OH-NZ 3.48Å |
| 1305 | S | 67.6 | Low | 74.3 | Confident | 48 Ų | 48 | 40.8 Ų | 40.8 | 34% | 0.336 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -80.3 | -32 | 178.6 | -56 | 0 | 0 | 0 | 0 | 114.3 | F1156 D1301 Y1302 Y1303 | F1156-S1305 VanDerWaalsContact CE1-O 3.26Å; F1156-S1305 WeakPolarHBondContact CE1-O 3.47Å; D1301-S1305 WeakPolarHBondContact O-CB 3.37Å; D1301-S1305 PolarHBondContact O-N 3.29Å; D1301-S1305 PolarHBondContact O-OG 3.38Å; Y1302-S1305 PolarHBondContact O-N 3.44Å; Y1303-S1305 VanDerWaalsContact C-N 3.27Å; Y1303-S1305 PolarHBondContact O-N 3.35Å |
| 1306 | N | 75.3 | Confident | 75.5 | Confident | 29 Ų | 29 | 38.4 Ų | 38.4 | 16% | 0.155 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -108.6 | -7.8 | -170.1 | -68.2 | -91.7 | 0 | 0 | 0 | 114.6 | Y1302 Y1303 | Y1302-N1306 WeakPolarHBondContact CD2-ND2 3.41Å; Y1302-N1306 WeakPolarHBondContact CE2-ND2 3.28Å; Y1302-N1306 WeakPolarHBondContact O-CB 3.48Å; Y1302-N1306 PolarHBondContact O-N 2.64Å; Y1302-N1306 PolarHBondContact O-ND2 3.08Å; Y1303-N1306 PolarHBondContact O-N 2.99Å |
| 1307 | F | 84.7 | Confident | 76.5 | Confident | 10 Ų | 10 | 37 Ų | 37 | 4% | 0.044 | 18% | 0.184 | C | C | . | . | trans | -130.6 | 97.9 | -174.8 | -59.7 | -106.3 | 0 | 0 | 0 | 110.4 | L1230 W1233 L1234 D1237 Y1302 Y1303 E1309 F1310 H1311 | L1230-F1307 HydrophobicContact CD1-CB 3.89Å; L1230-F1307 HydrophobicContact CD1-CD1 3.91Å; L1230-F1307 HydrophobicContact CD1-CG 4.18Å; W1233-F1307 HydrophobicContact CB-CD1 4.02Å; W1233-F1307 HydrophobicContact CB-CE1 3.8Å; L1234-F1307 HydrophobicContact CD2-CD1 4.14Å; L1234-F1307 HydrophobicContact CD2-CE1 3.76Å; L1234-F1307 HydrophobicContact CD2-CE2 4.2Å; L1234-F1307 HydrophobicContact CD2-CZ 3.8Å; L1234-F1307 HydrophobicContact CG-CD1 4.27Å; L1234-F1307 HydrophobicContact CG-CE1 4.03Å; D1237-F1307 HydrophobicContact CB-CZ 4.28Å; Y1302-F1307 AromaticContact CE1-CE2 3.95Å; Y1302-F1307 HydrophobicContact CE1-CE2 3.95Å; Y1303-F1307 HydrophobicContact CD1-CD2 4.07Å; Y1303-F1307 AromaticContact CD1-CE2 3.82Å; Y1303-F1307 HydrophobicContact CD1-CE2 3.82Å; Y1303-F1307 HydrophobicContact CD1-CZ 4.49Å; Y1303-F1307 HydrophobicContact CE1-CE2 4.47Å; Y1303-F1307 WeakPolarHBondContact O-CB 3.49Å; Y1303-F1307 WeakPolarHBondContact O-CD2 3.41Å; Y1303-F1307 PolarHBondContact O-N 2.88Å; F1307-E1309 PolarHBondContact O-N 2.83Å; F1307-E1309 VanDerWaalsContact O-N 3.11Å; F1307-F1310 HydrophobicContact CB-CB 3.82Å; F1307-F1310 WeakPolarHBondContact O-CA 3.09Å; F1307-F1310 WeakPolarHBondContact O-CB 3.32Å; F1307-F1310 PolarHBondContact O-N 3.42Å; F1307-H1311 PolarHBondContact O-N 3.47Å | ||
| 1308 | P | 84.1 | Confident | 77.2 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 4% | 0.039 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -54.4 | -30.9 | 177.8 | -28 | 36.2 | 0 | 0 | 0 | 113.6 | W1152 L1191 P1192 H1311 L1312 | W1152-P1308 HydrophobicContact CD2-CG 4.21Å; W1152-P1308 HydrophobicContact CE3-CG 3.93Å; W1152-P1308 HydrophobicContact CH2-CG 3.74Å; W1152-P1308 HydrophobicContact CZ2-CG 3.98Å; W1152-P1308 HydrophobicContact CZ3-CG 3.69Å; L1191-P1308 HydrophobicContact CD2-CB 4.2Å; L1191-P1308 HydrophobicContact CD2-CG 3.92Å; L1191-P1308 HydrophobicContact CG-CB 4.45Å; P1192-P1308 HydrophobicContact CG-CB 4.08Å; P1308-H1311 PolarHBondContact O-N 3.24Å; P1308-L1312 WeakPolarHBondContact O-CB 3.44Å; P1308-L1312 PolarHBondContact O-N 3.13Å |
| 1309 | E | 89.1 | Confident | 77.1 | Confident | 12 Ų | 12 | 34.4 Ų | 34.4 | 6% | 0.056 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.5 | -38.2 | 174.4 | -51.9 | 98.1 | 142 | 0 | 0 | 112.4 | R1149 P1192 I1226 N1229 L1230 F1307 L1313 | R1149-E1309 IonicContact CZ-OE1 3.7Å; R1149-E1309 IonicContact CZ-OE2 3.45Å; R1149-E1309 IonicContact NH1-OE1 2.69Å; R1149-E1309 PolarHBondContact NH1-OE1 2.99Å; R1149-E1309 IonicContact NH1-OE2 3Å; R1149-E1309 PolarHBondContact NH1-OE2 3.39Å; R1149-E1309 IonicContact NH2-OE1 3.84Å; R1149-E1309 IonicContact NH2-OE2 2.94Å; R1149-E1309 PolarHBondContact NH2-OE2 3.06Å; P1192-E1309 HydrophobicContact CB-CG 4.36Å; P1192-E1309 HydrophobicContact CG-CG 4.24Å; I1226-E1309 HydrophobicContact CG2-CB 4.02Å; I1226-E1309 HydrophobicContact CG2-CG 4.49Å; N1229-E1309 HydrophobicContact CB-CG 4.34Å; L1230-E1309 HydrophobicContact CB-CB 3.83Å; L1230-E1309 HydrophobicContact CB-CG 4.5Å; L1230-E1309 HydrophobicContact CD1-CB 4.27Å; L1230-E1309 HydrophobicContact CG-CB 4.42Å; F1307-E1309 PolarHBondContact O-N 2.83Å; F1307-E1309 VanDerWaalsContact O-N 3.11Å; E1309-L1313 WeakPolarHBondContact O-CB 3.42Å; E1309-L1313 VanDerWaalsContact O-CG 3.26Å; E1309-L1313 WeakPolarHBondContact O-CG 3.43Å; E1309-L1313 PolarHBondContact O-N 2.98Å |
| 1310 | F | 86.2 | Confident | 75.9 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 2% | 0.022 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.1 | -42.6 | 175.2 | -171.1 | -79.7 | 0 | 0 | 0 | 110.8 | L1230 M1300 Y1303 Y1304 F1307 L1312 L1313 N1314 Y1353 | L1230-F1310 HydrophobicContact CD1-CB 3.96Å; L1230-F1310 HydrophobicContact CD2-CB 4.22Å; L1230-F1310 HydrophobicContact CD2-CD2 4.31Å; M1300-F1310 HydrophobicContact CB-CZ 4.31Å; M1300-F1310 HydrophobicContact CE-CE1 4.49Å; M1300-F1310 HydrophobicContact CE-CZ 3.97Å; M1300-F1310 HydrophobicContact CG-CZ 4.24Å; Y1303-F1310 HydrophobicContact CD2-CE2 4.2Å; Y1303-F1310 HydrophobicContact CG-CE2 4.35Å; Y1304-F1310 HydrophobicContact CD2-CD1 4.3Å; F1307-F1310 HydrophobicContact CB-CB 3.82Å; F1307-F1310 WeakPolarHBondContact O-CA 3.09Å; F1307-F1310 WeakPolarHBondContact O-CB 3.32Å; F1307-F1310 PolarHBondContact O-N 3.42Å; F1310-L1312 PolarHBondContact O-N 3.15Å; F1310-L1313 PolarHBondContact O-N 2.99Å; F1310-N1314 VanDerWaalsContact O-CB 3.3Å; F1310-N1314 WeakPolarHBondContact O-CB 3.46Å; F1310-N1314 PolarHBondContact O-N 3.31Å; F1310-Y1353 AromaticContact CD2-CD1 3.94Å; F1310-Y1353 HydrophobicContact CD2-CD1 3.94Å; F1310-Y1353 AromaticContact CD2-CE1 3.94Å; F1310-Y1353 HydrophobicContact CD2-CE1 3.94Å; F1310-Y1353 AromaticContact CE2-CD1 3.3Å; F1310-Y1353 HydrophobicContact CE2-CD1 3.3Å; F1310-Y1353 AromaticContact CE2-CE1 3.62Å; F1310-Y1353 HydrophobicContact CE2-CE1 3.62Å; F1310-Y1353 AromaticContact CE2-CG 3.98Å; F1310-Y1353 HydrophobicContact CE2-CG 3.98Å; F1310-Y1353 AromaticContact CZ-CD1 3.8Å; F1310-Y1353 HydrophobicContact CZ-CD1 3.8Å; F1310-Y1353 AromaticContact CZ-CE1 3.94Å; F1310-Y1353 HydrophobicContact CZ-CE1 3.94Å; F1310-Y1353 HydrophobicContact CZ-CG 4.15Å |
| 1311 | H | 82.3 | Confident | 74.5 | Confident | 31 Ų | 31 | 44.3 Ų | 44.3 | 14% | 0.144 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.4 | -47.1 | 175.4 | -175.3 | -76.7 | 0 | 0 | 0 | 111.6 | T1188 N1189 Y1304 F1307 P1308 N1314 N1315 | T1188-H1311 PolarHBondContact OG1-CE1 2.75Å; T1188-H1311 PolarHBondContact OG1-ND1 3.02Å; T1188-H1311 PolarHBondContact OG1-NE2 2.93Å; N1189-H1311 PolarHBondContact OD1-CE1 3.33Å; N1189-H1311 PolarHBondContact OD1-ND1 3.22Å; Y1304-H1311 AromaticContact CD1-CD2 3.88Å; Y1304-H1311 HydrophobicContact CD2-CB 4.32Å; Y1304-H1311 AromaticContact CE1-CD2 3.42Å; Y1304-H1311 VanDerWaalsContact CE1-CD2 3.42Å; Y1304-H1311 WeakPolarHBondContact CE1-CD2 3.41Å; Y1304-H1311 AromaticContact CE1-NE2 3.7Å; Y1304-H1311 HydrophobicContact CE2-CB 4.32Å; Y1304-H1311 AromaticContact CE2-CD2 3.62Å; Y1304-H1311 AromaticContact CE2-CG 3.94Å; Y1304-H1311 AromaticContact CZ-CD2 3.28Å; Y1304-H1311 AromaticContact CZ-NE2 3.46Å; Y1304-H1311 PolarHBondContact OH-NE2 3.32Å; F1307-H1311 PolarHBondContact O-N 3.47Å; P1308-H1311 PolarHBondContact O-N 3.24Å; H1311-N1314 PolarHBondContact O-N 2.93Å; H1311-N1315 PolarHBondContact CE1-ND2 3.4Å; H1311-N1315 PolarHBondContact ND1-ND2 3.4Å; H1311-N1315 VanDerWaalsContact ND1-ND2 3.12Å; H1311-N1315 PolarHBondContact O-N 3.47Å; H1311-N1315 PolarHBondContact O-ND2 2.84Å |
| 1312 | L | 86.4 | Confident | 72.8 | Confident | 6 Ų | 6 | 45.5 Ų | 45.5 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.7 | -52.8 | 174.6 | 174.1 | 58.3 | 0 | 0 | 0 | 111.9 | N1189 P1192 I1226 P1308 F1310 N1314 N1315 L1316 L1453 | N1189-L1312 HydrophobicContact CB-CD1 3.92Å; P1192-L1312 HydrophobicContact CB-CD2 3.82Å; P1192-L1312 HydrophobicContact CG-CB 4.27Å; P1192-L1312 HydrophobicContact CG-CD2 3.86Å; I1226-L1312 HydrophobicContact CD1-CD2 3.86Å; P1308-L1312 WeakPolarHBondContact O-CB 3.44Å; P1308-L1312 PolarHBondContact O-N 3.13Å; F1310-L1312 PolarHBondContact O-N 3.15Å; L1312-N1314 VanDerWaalsContact C-N 3.3Å; L1312-N1314 PolarHBondContact O-N 2.85Å; L1312-N1315 PolarHBondContact O-N 3.12Å; L1312-L1316 HydrophobicContact CD1-CD1 3.76Å; L1312-L1316 HydrophobicContact CD1-CG 4.07Å; L1312-L1316 HydrophobicContact CG-CD1 3.92Å; L1312-L1316 WeakPolarHBondContact O-CG 3.47Å; L1312-L1316 PolarHBondContact O-N 2.84Å; L1312-L1453 HydrophobicContact CD1-CD1 3.89Å; L1312-L1453 HydrophobicContact CD2-CD1 4.27Å |
| 1313 | L | 87.1 | Confident | 70.7 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.8 | -36.5 | -179.4 | -71.3 | 175.4 | 0 | 0 | 0 | 112.7 | M1223 I1226 I1227 L1230 E1309 F1310 L1316 T1317 Y1353 I1441 | M1223-L1313 HydrophobicContact CE-CD2 3.56Å; I1226-L1313 HydrophobicContact CG2-CD1 4.2Å; I1226-L1313 HydrophobicContact CG2-CD2 4.26Å; I1226-L1313 HydrophobicContact CG2-CG 4.1Å; I1227-L1313 HydrophobicContact CG1-CD1 4.34Å; L1230-L1313 HydrophobicContact CD2-CD1 3.74Å; E1309-L1313 WeakPolarHBondContact O-CB 3.42Å; E1309-L1313 VanDerWaalsContact O-CG 3.26Å; E1309-L1313 WeakPolarHBondContact O-CG 3.43Å; E1309-L1313 PolarHBondContact O-N 2.98Å; F1310-L1313 PolarHBondContact O-N 2.99Å; L1313-L1316 PolarHBondContact O-N 2.9Å; L1313-T1317 WeakPolarHBondContact O-CG2 3.22Å; L1313-T1317 PolarHBondContact O-N 3.47Å; L1313-T1317 PolarHBondContact O-OG1 3.03Å; L1313-Y1353 PolarHBondContact O-OH 2.89Å; L1313-I1441 HydrophobicContact CD2-CG2 4.18Å |
| 1314 | N | 82.5 | Confident | 68.4 | Low | 32 Ų | 32 | 54.9 Ų | 54.9 | 17% | 0.171 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.8 | -36.5 | 177 | -168.7 | 41.8 | 0 | 0 | 0 | 111.5 | Y1304 F1310 H1311 L1312 T1317 K1318 Y1353 | Y1304-N1314 HydrophobicContact CD2-CB 3.96Å; Y1304-N1314 VanDerWaalsContact CD2-ND2 3.3Å; Y1304-N1314 WeakPolarHBondContact CD2-ND2 3.45Å; Y1304-N1314 HydrophobicContact CE2-CB 3.95Å; Y1304-N1314 WeakPolarHBondContact CE2-ND2 3.43Å; F1310-N1314 VanDerWaalsContact O-CB 3.3Å; F1310-N1314 WeakPolarHBondContact O-CB 3.46Å; F1310-N1314 PolarHBondContact O-N 3.31Å; H1311-N1314 PolarHBondContact O-N 2.93Å; L1312-N1314 VanDerWaalsContact C-N 3.3Å; L1312-N1314 PolarHBondContact O-N 2.85Å; N1314-T1317 PolarHBondContact O-N 3.39Å; N1314-K1318 WeakPolarHBondContact O-CG 3.43Å; N1314-K1318 PolarHBondContact O-N 2.72Å; N1314-Y1353 WeakPolarHBondContact CA-OH 3.35Å; N1314-Y1353 PolarHBondContact N-OH 3.14Å; N1314-Y1353 VanDerWaalsContact N-OH 3.13Å |
| 1315 | N | 80.5 | Confident | 66.6 | Low | 33 Ų | 33 | 58 Ų | 58 | 18% | 0.176 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.7 | -34.8 | 174.3 | -73.5 | -33.9 | 0 | 0 | 0 | 113.1 | N1189 Y1304 H1311 L1312 T1317 K1318 | N1189-N1315 PolarHBondContact ND2-ND2 2.98Å; N1189-N1315 PolarHBondContact OD1-ND2 2.77Å; Y1304-N1315 PolarHBondContact OH-OD1 2.98Å; H1311-N1315 PolarHBondContact CE1-ND2 3.4Å; H1311-N1315 PolarHBondContact ND1-ND2 3.4Å; H1311-N1315 VanDerWaalsContact ND1-ND2 3.12Å; H1311-N1315 PolarHBondContact O-N 3.47Å; H1311-N1315 PolarHBondContact O-ND2 2.84Å; L1312-N1315 PolarHBondContact O-N 3.12Å; N1315-T1317 PolarHBondContact O-N 3.33Å; N1315-K1318 WeakPolarHBondContact OD1-CE 3.15Å; N1315-K1318 PolarHBondContact OD1-NZ 2.85Å |
| 1316 | L | 84.3 | Confident | 64.7 | Low | 16 Ų | 16 | 64 Ų | 64 | 8% | 0.084 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -8 | 174.9 | -66.9 | 166.9 | 0 | 0 | 0 | 114.2 | L1312 L1313 I1445 E1449 L1453 | L1312-L1316 HydrophobicContact CD1-CD1 3.76Å; L1312-L1316 HydrophobicContact CD1-CG 4.07Å; L1312-L1316 HydrophobicContact CG-CD1 3.92Å; L1312-L1316 WeakPolarHBondContact O-CG 3.47Å; L1312-L1316 PolarHBondContact O-N 2.84Å; L1313-L1316 PolarHBondContact O-N 2.9Å; L1316-I1445 HydrophobicContact CB-CD1 3.98Å; L1316-I1445 HydrophobicContact CB-CG1 4.04Å; L1316-I1445 HydrophobicContact CB-CG2 4.35Å; L1316-I1445 HydrophobicContact CD1-CD1 4.23Å; L1316-I1445 HydrophobicContact CD2-CG2 4.49Å; L1316-I1445 WeakPolarHBondContact O-CG1 3.47Å; L1316-E1449 HydrophobicContact CD2-CB 4.27Å; L1316-L1453 HydrophobicContact CD1-CD1 4.06Å; L1316-L1453 HydrophobicContact CD1-CD2 3.85Å; L1316-L1453 HydrophobicContact CD2-CB 4.41Å; L1316-L1453 HydrophobicContact CD2-CD1 4.42Å |
| 1317 | T | 80 | Confident | 62.5 | Low | 9 Ų | 9 | 67 Ų | 67 | 6% | 0.055 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | 9 | -177.2 | 54 | 0 | 0 | 0 | 0 | 113.4 | L1313 N1314 N1315 N1349 Y1353 I1441 L1444 I1445 | L1313-T1317 WeakPolarHBondContact O-CG2 3.22Å; L1313-T1317 PolarHBondContact O-N 3.47Å; L1313-T1317 PolarHBondContact O-OG1 3.03Å; N1314-T1317 PolarHBondContact O-N 3.39Å; N1315-T1317 PolarHBondContact O-N 3.33Å; T1317-N1349 PolarHBondContact O-ND2 2.78Å; T1317-Y1353 PolarHBondContact OG1-OH 3.45Å; T1317-I1441 HydrophobicContact CG2-CG2 4.38Å; T1317-L1444 HydrophobicContact CG2-CB 4.19Å; T1317-I1445 HydrophobicContact CG2-CG1 4.01Å |
| 1318 | K | 72.5 | Confident | 60.1 | Low | 94 Ų | 94 | 73.8 Ų | 73.8 | 41% | 0.409 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -66.7 | 140.2 | 169.4 | -85.4 | 165.8 | -174.7 | 174.5 | 0 | 110 | Y1304 N1314 N1315 | Y1304-K1318 PolarHBondContact OH-NZ 3.48Å; N1314-K1318 WeakPolarHBondContact O-CG 3.43Å; N1314-K1318 PolarHBondContact O-N 2.72Å; N1315-K1318 WeakPolarHBondContact OD1-CE 3.15Å; N1315-K1318 PolarHBondContact OD1-NZ 2.85Å |
| 1319 | P | 58.1 | Low | 57.3 | Low | 49 Ų | 49 | 79.5 Ų | 79.5 | 32% | 0.318 | 44% | 0.435 | S | S | . | . | trans | -60.5 | 142.9 | 165.2 | 27.1 | -32.3 | 0 | 0 | 0 | 109.7 | D1321 I1345 | P1319-D1321 PolarHBondContact O-N 2.84Å; P1319-I1345 HydrophobicContact CB-CD1 4.26Å; P1319-I1345 HydrophobicContact CB-CG2 4.39Å | ||
| 1320 | M | 41.3 | Very low | 54.5 | Low | 128 Ų | 128 | 83.8 Ų | 83.8 | 63% | 0.631 | 47% | 0.466 | S | S | * | . | trans | -75.9 | 102.2 | 178.8 | -82.2 | -82.9 | -67.2 | 0 | 0 | 110.5 | N1322 | M1320-N1322 PolarHBondContact O-N 2.79Š| ||
| 1321 | D | 37.8 | Very low | 51.7 | Low | 140 Ų | 140 | 92.2 Ų | 92.2 | 75% | 0.749 | 50% | 0.503 | S | S | * | . | trans | -61 | 95.9 | 168.8 | -82 | -46 | 0 | 0 | 0 | 110.5 | P1319 N1323 | P1319-D1321 PolarHBondContact O-N 2.84Å; D1321-N1323 PolarHBondContact O-N 2.99Å | ||
| 1322 | N | 30 | Very low | 49.4 | Very low | 145 Ų | 145 | 96.7 Ų | 96.7 | 78% | 0.775 | 54% | 0.535 | S | S | * | . | trans | -72.7 | 71.4 | 176.4 | -88.6 | -39.6 | 0 | 0 | 0 | 111.6 | M1320 | M1320-N1322 PolarHBondContact O-N 2.79Š| ||
| 1323 | N | 29.7 | Very low | 46.5 | Very low | 126 Ų | 126 | 101.7 Ų | 101.7 | 67% | 0.674 | 57% | 0.565 | S | S | * | * | trans | -132.1 | 65.1 | 173.4 | -87.8 | -56.2 | 0 | 0 | 0 | 112.4 | D1321 N1325 | D1321-N1323 PolarHBondContact O-N 2.99Å; N1323-N1325 PolarHBondContact O-N 2.78Å | ||
| 1324 | N | 29.1 | Very low | 43.8 | Very low | 169 Ų | 169 | 108.3 Ų | 108.3 | 90% | 0.904 | 60% | 0.601 | S | S | * | * | trans | -68.2 | 81.2 | 154.8 | -83.7 | -21.7 | 0 | 0 | 0 | 109.1 | ||||
| 1325 | N | 30.1 | Very low | 41.4 | Very low | 129 Ų | 129 | 113.7 Ų | 113.7 | 69% | 0.69 | 63% | 0.628 | S | S | * | * | trans | -149 | 71.9 | 170.3 | -91.8 | -43.3 | 0 | 0 | 0 | 110.6 | N1323 S1327 | N1323-N1325 PolarHBondContact O-N 2.78Å; N1325-S1327 PolarHBondContact O-N 2.61Å | ||
| 1326 | D | 27.9 | Very low | 39.1 | Very low | 174 Ų | 174 | 118.3 Ų | 118.3 | 93% | 0.93 | 65% | 0.653 | S | S | * | * | trans | -66.2 | 81.4 | 158.6 | -85.4 | -47.2 | 0 | 0 | 0 | 109.6 | ||||
| 1327 | S | 29.4 | Very low | 36.8 | Very low | 93 Ų | 93 | 124.4 Ų | 124.4 | 65% | 0.65 | 69% | 0.686 | S | S | * | * | trans | 173.6 | 158.7 | 146.9 | 49.5 | 0 | 0 | 0 | 0 | 114.1 | N1325 | N1325-S1327 PolarHBondContact O-N 2.61Š| ||
| 1328 | I | 33.5 | Very low | 34.9 | Very low | 152 Ų | 152 | 131.1 Ų | 131.1 | 78% | 0.779 | 72% | 0.721 | S | S | * | * | trans | 68.7 | 100.3 | 167.5 | -56.3 | 166.5 | 0 | 0 | 0 | 116.4 | S1330 | I1328-S1330 PolarHBondContact O-N 3.05Š| ||
| 1329 | S | 25.4 | Very low | 33.6 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 87% | 0.874 | 73% | 0.729 | S | S | * | * | trans | -52.1 | 114.6 | 161.4 | 150.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1330 | S | 31.1 | Very low | 33.2 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | trans | -151.6 | 151.9 | 152.7 | 64 | 0 | 0 | 0 | 0 | 110.9 | I1328 | I1328-S1330 PolarHBondContact O-N 3.05Š| ||
| 1331 | K | 27.3 | Very low | 33.8 | Very low | 181 Ų | 181 | 131.9 Ų | 131.9 | 79% | 0.787 | 74% | 0.74 | S | S | * | * | trans | -76 | 128.3 | 178.5 | -88.4 | -173.3 | 170.5 | -174 | 0 | 110.7 | T1333 | K1331-T1333 HydrophobicContact CB-CG2 4.47Å; K1331-T1333 PolarHBondContact O-N 3.03Å | ||
| 1332 | P | 33 | Very low | 34.4 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | trans | -75.1 | 106 | 163.6 | 30 | -31.5 | 0 | 0 | 0 | 109.9 | ||||
| 1333 | T | 25.4 | Very low | 35.7 | Very low | 111 Ų | 111 | 125.3 Ų | 125.3 | 68% | 0.681 | 71% | 0.705 | S | S | * | * | trans | -122 | 72.3 | 168.9 | 53.4 | 0 | 0 | 0 | 0 | 110.8 | K1331 | K1331-T1333 HydrophobicContact CB-CG2 4.47Å; K1331-T1333 PolarHBondContact O-N 3.03Å | ||
| 1334 | N | 31.8 | Very low | 37 | Very low | 141 Ų | 141 | 122.3 Ų | 122.3 | 75% | 0.754 | 69% | 0.687 | S | S | * | * | trans | -170.6 | 118.8 | 156.2 | -85.5 | -31.4 | 0 | 0 | 0 | 103.7 | ||||
| 1335 | I | 31.3 | Very low | 38.5 | Very low | 145 Ų | 145 | 116.6 Ų | 116.6 | 74% | 0.744 | 66% | 0.656 | S | S | * | * | 58.5 | 83.9 | 62.6 | -49.7 | 173.8 | 0 | 0 | 0 | 110.5 | |||||
| 1336 | N | 32.6 | Very low | 40 | Very low | 129 Ų | 129 | 117.9 Ų | 117.9 | 69% | 0.69 | 65% | 0.651 | S | S | * | * | trans | 175.8 | 133.8 | 131.2 | -84.1 | -9.3 | 0 | 0 | 0 | 112.4 | N1338 | N1336-N1338 PolarHBondContact O-N 3.08Å; N1336-N1338 VanDerWaalsContact O-N 3.11Å | ||
| 1337 | D | 35.3 | Very low | 41.8 | Very low | 144 Ų | 144 | 116.4 Ų | 116.4 | 77% | 0.77 | 64% | 0.636 | S | S | * | * | S | Bend | trans | 62 | 7 | 140.9 | -51 | -21 | 0 | 0 | 0 | 124.2 | ||
| 1338 | N | 39.8 | Very low | 43.5 | Very low | 150 Ų | 150 | 117.5 Ų | 117.5 | 80% | 0.802 | 63% | 0.626 | S | S | * | * | trans | -97.5 | -5.3 | 174.9 | -80.7 | -4.7 | 0 | 0 | 0 | 116.9 | N1336 V1340 | N1336-N1338 PolarHBondContact O-N 3.08Å; N1336-N1338 VanDerWaalsContact O-N 3.11Å; N1338-V1340 PolarHBondContact O-N 3.01Å | ||
| 1339 | S | 45.5 | Very low | 45.3 | Very low | 81 Ų | 81 | 111 Ų | 111 | 57% | 0.566 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -82.2 | -12.6 | -166.1 | 62.8 | 0 | 0 | 0 | 0 | 117.2 | D1343 | S1339-D1343 PolarHBondContact O-N 3.4Å |
| 1340 | V | 49.7 | Very low | 47.6 | Very low | 106 Ų | 106 | 106.6 Ų | 106.6 | 64% | 0.642 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -74.3 | -39 | -166.4 | -177.4 | 0 | 0 | 0 | 0 | 112.8 | N1338 M1344 | N1338-V1340 PolarHBondContact O-N 3.01Å; V1340-M1344 WeakPolarHBondContact O-CB 3.37Å; V1340-M1344 PolarHBondContact O-N 3.16Å |
| 1341 | D | 54.1 | Low | 49.9 | Very low | 101 Ų | 101 | 106.1 Ų | 106.1 | 54% | 0.54 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -70.5 | -37.4 | 178.6 | -82.4 | -57.5 | 0 | 0 | 0 | 112.4 | M1344 I1345 | D1341-M1344 PolarHBondContact O-N 3.42Å; D1341-M1344 WeakPolarHBondContact OD1-CE 3.45Å; D1341-I1345 VanDerWaalsContact O-CG1 3.32Å; D1341-I1345 WeakPolarHBondContact O-CG1 3.38Å; D1341-I1345 PolarHBondContact O-N 3.29Å |
| 1342 | D | 51 | Low | 52.5 | Low | 66 Ų | 66 | 98 Ų | 98 | 35% | 0.353 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62 | -45.6 | 177 | -83.6 | -31 | 0 | 0 | 0 | 112.2 | M1344 I1345 R1346 | D1342-M1344 VanDerWaalsContact C-N 3.28Å; D1342-M1344 PolarHBondContact O-N 2.96Å; D1342-I1345 PolarHBondContact O-N 3.39Å; D1342-R1346 WeakPolarHBondContact O-CB 3.46Å; D1342-R1346 PolarHBondContact O-N 3.12Å |
| 1343 | D | 56.6 | Low | 54.9 | Low | 81 Ų | 81 | 92.6 Ų | 92.6 | 43% | 0.433 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.1 | -31.2 | 176.4 | -91.9 | -7 | 0 | 0 | 0 | 112.3 | S1339 R1346 K1347 | S1339-D1343 PolarHBondContact O-N 3.4Å; D1343-R1346 IonicContact OD1-NE 3.27Å; D1343-R1346 PolarHBondContact OD1-NE 3.34Å; D1343-K1347 WeakPolarHBondContact O-CB 3.22Å; D1343-K1347 VanDerWaalsContact O-CG 3.22Å; D1343-K1347 WeakPolarHBondContact O-CG 3.49Å; D1343-K1347 PolarHBondContact O-N 2.99Å |
| 1344 | M | 58.4 | Low | 57.7 | Low | 62 Ų | 62 | 92.6 Ų | 92.6 | 31% | 0.305 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -71.3 | -39.1 | 174.3 | -172.5 | 172.1 | 45.1 | 0 | 0 | 112.1 | V1340 D1341 D1342 R1348 | V1340-M1344 WeakPolarHBondContact O-CB 3.37Å; V1340-M1344 PolarHBondContact O-N 3.16Å; D1341-M1344 PolarHBondContact O-N 3.42Å; D1341-M1344 WeakPolarHBondContact OD1-CE 3.45Å; D1342-M1344 VanDerWaalsContact C-N 3.28Å; D1342-M1344 PolarHBondContact O-N 2.96Å; M1344-R1348 VanDerWaalsContact O-CG 3.25Å; M1344-R1348 WeakPolarHBondContact O-CG 3.4Å; M1344-R1348 PolarHBondContact O-N 2.95Å; M1344-R1348 PolarHBondContact SD-NH2 3.45Å |
| 1345 | I | 58.9 | Low | 60.3 | Low | 49 Ų | 49 | 89.4 Ų | 89.4 | 25% | 0.251 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.7 | -46 | 172.6 | -68.6 | 166.1 | 0 | 0 | 0 | 110.3 | P1319 D1341 D1342 K1347 R1348 N1349 | P1319-I1345 HydrophobicContact CB-CD1 4.26Å; P1319-I1345 HydrophobicContact CB-CG2 4.39Å; D1341-I1345 VanDerWaalsContact O-CG1 3.32Å; D1341-I1345 WeakPolarHBondContact O-CG1 3.38Å; D1341-I1345 PolarHBondContact O-N 3.29Å; D1342-I1345 PolarHBondContact O-N 3.39Å; I1345-K1347 PolarHBondContact O-N 2.91Å; I1345-R1348 WeakPolarHBondContact O-CB 3.35Å; I1345-R1348 PolarHBondContact O-N 3.08Å; I1345-R1348 VanDerWaalsContact O-N 3.1Å; I1345-N1349 PolarHBondContact O-N 3.1Å |
| 1346 | R | 62.7 | Low | 63 | Low | 156 Ų | 156 | 82.6 Ų | 82.6 | 59% | 0.589 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -53.9 | -50.8 | 174.9 | -166.2 | -170 | -54.8 | -88.7 | -6.6 | 111 | D1342 D1343 R1348 N1349 T1350 | D1342-R1346 WeakPolarHBondContact O-CB 3.46Å; D1342-R1346 PolarHBondContact O-N 3.12Å; D1343-R1346 IonicContact OD1-NE 3.27Å; D1343-R1346 PolarHBondContact OD1-NE 3.34Å; R1346-R1348 PolarHBondContact O-N 3.31Å; R1346-N1349 PolarHBondContact O-N 3.38Å; R1346-T1350 PolarHBondContact O-N 2.79Å; R1346-T1350 PolarHBondContact O-OG1 2.72Å; R1346-T1350 VanDerWaalsContact O-OG1 3.13Å |
| 1347 | K | 64.7 | Low | 65.7 | Low | 143 Ų | 143 | 79 Ų | 79 | 62% | 0.622 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -60.6 | -38.9 | 175.5 | -75.7 | 172.5 | -179.6 | -178.7 | 0 | 113.2 | D1343 I1345 N1351 | D1343-K1347 WeakPolarHBondContact O-CB 3.22Å; D1343-K1347 VanDerWaalsContact O-CG 3.22Å; D1343-K1347 WeakPolarHBondContact O-CG 3.49Å; D1343-K1347 PolarHBondContact O-N 2.99Å; I1345-K1347 PolarHBondContact O-N 2.91Å; K1347-N1351 PolarHBondContact O-N 3.4Å; K1347-N1351 VanDerWaalsContact O-N 3.13Å; K1347-N1351 PolarHBondContact O-ND2 3.16Å; K1347-N1351 VanDerWaalsContact O-ND2 3.15Å |
| 1348 | R | 65.3 | Low | 68.1 | Low | 116 Ų | 116 | 75.6 Ų | 75.6 | 44% | 0.438 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 175 | -74.7 | 166.2 | -176.7 | 148.6 | 0.7 | 111.5 | M1344 I1345 R1346 N1351 V1352 L1444 | M1344-R1348 VanDerWaalsContact O-CG 3.25Å; M1344-R1348 WeakPolarHBondContact O-CG 3.4Å; M1344-R1348 PolarHBondContact O-N 2.95Å; M1344-R1348 PolarHBondContact SD-NH2 3.45Å; I1345-R1348 WeakPolarHBondContact O-CB 3.35Å; I1345-R1348 PolarHBondContact O-N 3.08Å; I1345-R1348 VanDerWaalsContact O-N 3.1Å; R1346-R1348 PolarHBondContact O-N 3.31Å; R1348-N1351 PolarHBondContact O-N 2.99Å; R1348-V1352 PolarHBondContact O-N 3.48Å; R1348-L1444 HydrophobicContact CB-CD2 4.42Å |
| 1349 | N | 72.6 | Confident | 70.5 | Confident | 15 Ų | 15 | 68.7 Ų | 68.7 | 8% | 0.08 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64 | -47.6 | 178 | -68.9 | -4.2 | 0 | 0 | 0 | 111.5 | T1317 I1345 R1346 N1351 V1352 Y1353 | T1317-N1349 PolarHBondContact O-ND2 2.78Å; I1345-N1349 PolarHBondContact O-N 3.1Å; R1346-N1349 PolarHBondContact O-N 3.38Å; N1349-N1351 VanDerWaalsContact C-N 3.25Å; N1349-N1351 PolarHBondContact O-N 3.36Å; N1349-V1352 PolarHBondContact O-N 2.9Å; N1349-Y1353 HydrophobicContact CB-CE2 4.28Å; N1349-Y1353 WeakPolarHBondContact O-CD2 3.49Å; N1349-Y1353 PolarHBondContact O-N 3.09Å |
| 1350 | T | 73.6 | Confident | 72.7 | Confident | 34 Ų | 34 | 65 Ų | 65 | 21% | 0.209 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.8 | -39.3 | 175.7 | -55.9 | 0 | 0 | 0 | 0 | 112 | L1296 R1346 V1352 Y1353 K1354 | L1296-T1350 HydrophobicContact CD2-CG2 4.33Å; R1346-T1350 PolarHBondContact O-N 2.79Å; R1346-T1350 PolarHBondContact O-OG1 2.72Å; R1346-T1350 VanDerWaalsContact O-OG1 3.13Å; T1350-V1352 PolarHBondContact O-N 2.97Å; T1350-Y1353 PolarHBondContact O-N 2.95Å; T1350-K1354 VanDerWaalsContact O-CB 3.27Å; T1350-K1354 WeakPolarHBondContact O-CB 3.4Å; T1350-K1354 PolarHBondContact O-N 3.25Å |
| 1351 | N | 78.6 | Confident | 74.4 | Confident | 93 Ų | 93 | 63.4 Ų | 63.4 | 50% | 0.497 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.4 | -33.8 | 175.6 | -81.7 | -41.9 | 0 | 0 | 0 | 113.6 | K1347 R1348 N1349 L1355 | K1347-N1351 PolarHBondContact O-N 3.4Å; K1347-N1351 VanDerWaalsContact O-N 3.13Å; K1347-N1351 PolarHBondContact O-ND2 3.16Å; K1347-N1351 VanDerWaalsContact O-ND2 3.15Å; R1348-N1351 PolarHBondContact O-N 2.99Å; N1349-N1351 VanDerWaalsContact C-N 3.25Å; N1349-N1351 PolarHBondContact O-N 3.36Å; N1351-L1355 PolarHBondContact O-N 3.47Å; N1351-L1355 VanDerWaalsContact O-N 3.1Å |
| 1352 | V | 82.5 | Confident | 76 | Confident | 9 Ų | 9 | 62.5 Ų | 62.5 | 6% | 0.055 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.8 | -42.2 | 174.1 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | R1348 N1349 T1350 K1354 L1355 I1356 R1440 I1441 L1444 | R1348-V1352 PolarHBondContact O-N 3.48Å; N1349-V1352 PolarHBondContact O-N 2.9Å; T1350-V1352 PolarHBondContact O-N 2.97Å; V1352-K1354 VanDerWaalsContact C-N 3.32Å; V1352-K1354 PolarHBondContact O-N 3.21Å; V1352-L1355 WeakPolarHBondContact O-CB 3.49Å; V1352-L1355 PolarHBondContact O-N 3.41Å; V1352-L1355 VanDerWaalsContact O-N 3.09Å; V1352-I1356 HydrophobicContact CG1-CD1 4.29Å; V1352-I1356 WeakPolarHBondContact O-CG1 3.42Å; V1352-I1356 PolarHBondContact O-N 2.87Å; V1352-R1440 HydrophobicContact CG2-CG 3.83Å; V1352-I1441 HydrophobicContact CG1-CD1 4.03Å; V1352-I1441 HydrophobicContact CG1-CG1 3.53Å; V1352-L1444 HydrophobicContact CG2-CD1 3.77Å |
| 1353 | Y | 82.3 | Confident | 77.8 | Confident | 12 Ų | 12 | 59.5 Ų | 59.5 | 5% | 0.047 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.6 | -36.2 | 174.3 | -68.4 | -61.3 | 0 | 0 | 0 | 112.8 | M1300 F1310 L1313 N1314 T1317 N1349 T1350 L1355 I1356 Y1357 | M1300-Y1353 HydrophobicContact CE-CD2 3.6Å; M1300-Y1353 HydrophobicContact CE-CE2 3.97Å; M1300-Y1353 HydrophobicContact CE-CG 4.26Å; F1310-Y1353 AromaticContact CD2-CD1 3.94Å; F1310-Y1353 HydrophobicContact CD2-CD1 3.94Å; F1310-Y1353 AromaticContact CD2-CE1 3.94Å; F1310-Y1353 HydrophobicContact CD2-CE1 3.94Å; F1310-Y1353 AromaticContact CE2-CD1 3.3Å; F1310-Y1353 HydrophobicContact CE2-CD1 3.3Å; F1310-Y1353 AromaticContact CE2-CE1 3.62Å; F1310-Y1353 HydrophobicContact CE2-CE1 3.62Å; F1310-Y1353 AromaticContact CE2-CG 3.98Å; F1310-Y1353 HydrophobicContact CE2-CG 3.98Å; F1310-Y1353 AromaticContact CZ-CD1 3.8Å; F1310-Y1353 HydrophobicContact CZ-CD1 3.8Å; F1310-Y1353 AromaticContact CZ-CE1 3.94Å; F1310-Y1353 HydrophobicContact CZ-CE1 3.94Å; F1310-Y1353 HydrophobicContact CZ-CG 4.15Å; L1313-Y1353 PolarHBondContact O-OH 2.89Å; N1314-Y1353 WeakPolarHBondContact CA-OH 3.35Å; N1314-Y1353 PolarHBondContact N-OH 3.14Å; N1314-Y1353 VanDerWaalsContact N-OH 3.13Å; T1317-Y1353 PolarHBondContact OG1-OH 3.45Å; N1349-Y1353 HydrophobicContact CB-CE2 4.28Å; N1349-Y1353 WeakPolarHBondContact O-CD2 3.49Å; N1349-Y1353 PolarHBondContact O-N 3.09Å; T1350-Y1353 PolarHBondContact O-N 2.95Å; Y1353-L1355 VanDerWaalsContact C-N 3.3Å; Y1353-L1355 PolarHBondContact O-N 2.96Å; Y1353-I1356 HydrophobicContact CD1-CD1 3.92Å; Y1353-I1356 HydrophobicContact CE1-CD1 4.23Å; Y1353-I1356 PolarHBondContact O-N 3.15Å; Y1353-Y1357 WeakPolarHBondContact O-CB 3.38Å; Y1353-Y1357 PolarHBondContact O-N 3.1Å |
| 1354 | K | 84.8 | Confident | 79.3 | Confident | 111 Ų | 111 | 60.7 Ų | 60.7 | 48% | 0.483 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.1 | -38.4 | 170.2 | -172.3 | 177.1 | 179.8 | -178.3 | 0 | 111.8 | L1296 T1350 V1352 N1358 | L1296-K1354 HydrophobicContact CD2-CB 3.84Å; L1296-K1354 HydrophobicContact CD2-CG 4.34Å; T1350-K1354 VanDerWaalsContact O-CB 3.27Å; T1350-K1354 WeakPolarHBondContact O-CB 3.4Å; T1350-K1354 PolarHBondContact O-N 3.25Å; V1352-K1354 VanDerWaalsContact C-N 3.32Å; V1352-K1354 PolarHBondContact O-N 3.21Å; K1354-N1358 WeakPolarHBondContact O-CB 3.48Å; K1354-N1358 PolarHBondContact O-N 2.74Å; K1354-N1358 PolarHBondContact O-ND2 3.47Å |
| 1355 | L | 86.8 | Confident | 80.5 | Confident | 75 Ų | 75 | 65.2 Ų | 65.2 | 39% | 0.393 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.4 | -42.8 | 175 | -175 | 59.9 | 0 | 0 | 0 | 112.5 | N1351 V1352 Y1353 Y1357 N1358 L1359 V1437 | N1351-L1355 PolarHBondContact O-N 3.47Å; N1351-L1355 VanDerWaalsContact O-N 3.1Å; V1352-L1355 WeakPolarHBondContact O-CB 3.49Å; V1352-L1355 PolarHBondContact O-N 3.41Å; V1352-L1355 VanDerWaalsContact O-N 3.09Å; Y1353-L1355 VanDerWaalsContact C-N 3.3Å; Y1353-L1355 PolarHBondContact O-N 2.96Å; L1355-Y1357 PolarHBondContact O-N 3.46Å; L1355-N1358 PolarHBondContact O-N 3.07Å; L1355-L1359 WeakPolarHBondContact O-CB 3.07Å; L1355-L1359 PolarHBondContact O-N 3.23Å; L1355-V1437 HydrophobicContact CD2-CG2 3.76Å; L1355-V1437 HydrophobicContact CG-CG2 3.86Å |
| 1356 | I | 88.5 | Confident | 81.8 | Confident | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.1 | -47.2 | 172.8 | -67.6 | 167.2 | 0 | 0 | 0 | 110.5 | L1230 V1231 L1234 V1352 Y1353 L1359 A1360 V1437 I1441 | L1230-I1356 HydrophobicContact CD2-CD1 4.5Å; L1230-I1356 HydrophobicContact CD2-CG2 4.13Å; L1230-I1356 HydrophobicContact CG-CG2 4.32Å; V1231-I1356 HydrophobicContact CG2-CG2 3.95Å; L1234-I1356 HydrophobicContact CD1-CG2 3.85Å; V1352-I1356 HydrophobicContact CG1-CD1 4.29Å; V1352-I1356 WeakPolarHBondContact O-CG1 3.42Å; V1352-I1356 PolarHBondContact O-N 2.87Å; Y1353-I1356 HydrophobicContact CD1-CD1 3.92Å; Y1353-I1356 HydrophobicContact CE1-CD1 4.23Å; Y1353-I1356 PolarHBondContact O-N 3.15Å; I1356-L1359 PolarHBondContact O-N 3.43Å; I1356-A1360 PolarHBondContact O-N 2.67Å; I1356-V1437 HydrophobicContact CD1-CG1 4.49Å; I1356-V1437 HydrophobicContact CG1-CG1 3.83Å; I1356-I1441 HydrophobicContact CD1-CD1 4.24Å |
| 1357 | Y | 87.6 | Confident | 82.9 | Confident | 52 Ų | 52 | 61.9 Ų | 61.9 | 20% | 0.204 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64 | -43.1 | 179.1 | -176.4 | -109.6 | 0 | 0 | 0 | 112.4 | Y1303 Y1353 L1355 L1359 A1360 I1361 | Y1303-Y1357 HydrophobicContact CE2-CD2 4.5Å; Y1303-Y1357 VanDerWaalsContact OH-CE2 3.29Å; Y1303-Y1357 WeakPolarHBondContact OH-CE2 3.38Å; Y1353-Y1357 WeakPolarHBondContact O-CB 3.38Å; Y1353-Y1357 PolarHBondContact O-N 3.1Å; L1355-Y1357 PolarHBondContact O-N 3.46Å; Y1357-L1359 VanDerWaalsContact C-N 3.29Å; Y1357-L1359 PolarHBondContact O-N 3.32Å; Y1357-A1360 WeakPolarHBondContact O-CB 3.5Å; Y1357-A1360 PolarHBondContact O-N 3.16Å; Y1357-I1361 HydrophobicContact CD1-CD1 3.97Å; Y1357-I1361 HydrophobicContact CE1-CD1 3.6Å; Y1357-I1361 HydrophobicContact CE1-CG1 4.49Å; Y1357-I1361 WeakPolarHBondContact O-CG1 3.23Å; Y1357-I1361 PolarHBondContact O-N 3.48Å |
| 1358 | N | 87 | Confident | 84 | Confident | 73 Ų | 73 | 55.6 Ų | 55.6 | 39% | 0.39 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.2 | -37.5 | 173.4 | -75 | -23.7 | 0 | 0 | 0 | 112.1 | K1354 L1355 I1361 K1362 | K1354-N1358 WeakPolarHBondContact O-CB 3.48Å; K1354-N1358 PolarHBondContact O-N 2.74Å; K1354-N1358 PolarHBondContact O-ND2 3.47Å; L1355-N1358 PolarHBondContact O-N 3.07Å; N1358-I1361 PolarHBondContact O-N 2.92Å; N1358-K1362 WeakPolarHBondContact O-CG 3.35Å; N1358-K1362 PolarHBondContact O-N 3.48Å |
| 1359 | L | 89.9 | Confident | 85.1 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.7 | -36.1 | 175.5 | -170.2 | 56.5 | 0 | 0 | 0 | 111.7 | V1231 L1355 I1356 Y1357 K1362 L1363 N1433 F1434 V1437 | V1231-L1359 HydrophobicContact CG1-CB 4.35Å; V1231-L1359 HydrophobicContact CG1-CG 4.03Å; V1231-L1359 HydrophobicContact CG2-CD2 4.33Å; L1355-L1359 WeakPolarHBondContact O-CB 3.07Å; L1355-L1359 PolarHBondContact O-N 3.23Å; I1356-L1359 PolarHBondContact O-N 3.43Å; Y1357-L1359 VanDerWaalsContact C-N 3.29Å; Y1357-L1359 PolarHBondContact O-N 3.32Å; L1359-K1362 CarbonylContact O-C 3.59Å; L1359-K1362 PolarHBondContact O-N 2.95Å; L1359-L1363 WeakPolarHBondContact O-CB 3.5Å; L1359-L1363 PolarHBondContact O-N 2.89Å; L1359-N1433 HydrophobicContact CD1-CB 3.64Å; L1359-N1433 HydrophobicContact CD2-CB 3.96Å; L1359-N1433 HydrophobicContact CG-CB 4.49Å; L1359-F1434 HydrophobicContact CD2-CD1 3.64Å; L1359-F1434 HydrophobicContact CD2-CE1 3.72Å; L1359-F1434 HydrophobicContact CG-CE1 4.26Å; L1359-V1437 HydrophobicContact CD2-CG2 4.31Å |
| 1360 | A | 90.4 | Very high | 86 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 3% | 0.025 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.7 | -39.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1231 L1234 A1235 I1356 Y1357 L1363 R1364 | V1231-A1360 HydrophobicContact CG1-CB 4.11Å; L1234-A1360 HydrophobicContact CB-CB 3.63Å; A1235-A1360 WeakPolarHBondContact CB-O 3.42Å; I1356-A1360 PolarHBondContact O-N 2.67Å; Y1357-A1360 WeakPolarHBondContact O-CB 3.5Å; Y1357-A1360 PolarHBondContact O-N 3.16Å; A1360-L1363 PolarHBondContact O-N 2.81Å; A1360-R1364 VanDerWaalsContact O-CB 3.3Å; A1360-R1364 WeakPolarHBondContact O-CB 3.25Å; A1360-R1364 PolarHBondContact O-N 3.2Å |
| 1361 | I | 87.1 | Confident | 86.8 | Confident | 73 Ų | 73 | 51.9 Ų | 51.9 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | 171.2 | -66.7 | 168.7 | 0 | 0 | 0 | 110.7 | Y1357 N1358 L1363 R1364 M1365 | Y1357-I1361 HydrophobicContact CD1-CD1 3.97Å; Y1357-I1361 HydrophobicContact CE1-CD1 3.6Å; Y1357-I1361 HydrophobicContact CE1-CG1 4.49Å; Y1357-I1361 WeakPolarHBondContact O-CG1 3.23Å; Y1357-I1361 PolarHBondContact O-N 3.48Å; N1358-I1361 PolarHBondContact O-N 2.92Å; I1361-L1363 VanDerWaalsContact C-N 3.28Å; I1361-L1363 PolarHBondContact O-N 3.43Å; I1361-R1364 PolarHBondContact O-N 2.84Å; I1361-M1365 PolarHBondContact O-N 3.42Å |
| 1362 | K | 86.9 | Confident | 87.5 | Confident | 83 Ų | 83 | 47.5 Ų | 47.5 | 36% | 0.361 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.4 | -31.4 | 177.5 | -72.6 | 176.5 | 179.3 | -174.2 | 0 | 112.7 | G108 N1358 L1359 | G108-K1362 PolarHBondContact O-NZ 2.97Å; N1358-K1362 WeakPolarHBondContact O-CG 3.35Å; N1358-K1362 PolarHBondContact O-N 3.48Å; L1359-K1362 CarbonylContact O-C 3.59Å; L1359-K1362 PolarHBondContact O-N 2.95Å |
| 1363 | L | 88.1 | Confident | 88 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -79.4 | -38.8 | 176.4 | -165.6 | 67.8 | 0 | 0 | 0 | 112.3 | V1231 A1235 L1359 A1360 I1361 M1365 L1366 L1368 F1434 | V1231-L1363 HydrophobicContact CG1-CB 4.24Å; V1231-L1363 HydrophobicContact CG1-CD2 3.8Å; A1235-L1363 HydrophobicContact CB-CB 4.2Å; A1235-L1363 HydrophobicContact CB-CD2 4.36Å; A1235-L1363 HydrophobicContact CB-CG 4.46Å; L1359-L1363 WeakPolarHBondContact O-CB 3.5Å; L1359-L1363 PolarHBondContact O-N 2.89Å; A1360-L1363 PolarHBondContact O-N 2.81Å; I1361-L1363 VanDerWaalsContact C-N 3.28Å; I1361-L1363 PolarHBondContact O-N 3.43Å; L1363-M1365 PolarHBondContact O-N 2.99Å; L1363-L1366 HydrophobicContact CD1-CD1 4.41Å; L1363-L1366 WeakPolarHBondContact O-CB 3.45Å; L1363-L1366 PolarHBondContact O-N 2.91Å; L1363-L1368 HydrophobicContact CD1-CB 4.5Å; L1363-L1368 HydrophobicContact CD1-CD2 4.24Å; L1363-L1368 HydrophobicContact CD2-CD2 4.16Å; L1363-L1368 HydrophobicContact CG-CB 4.47Å; L1363-L1368 HydrophobicContact CG-CD2 4.47Å; L1363-F1434 HydrophobicContact CD2-CZ 4.43Å |
| 1364 | R | 88.3 | Confident | 88.6 | Confident | 106 Ų | 106 | 46.5 Ų | 46.5 | 40% | 0.4 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -55.3 | -34.9 | 173.2 | -175.4 | -178.9 | -67.6 | -155.9 | -7.5 | 111.9 | L1234 A1235 D1237 A1360 I1361 L1366 N1367 | L1234-R1364 PolarHBondContact O-NH2 3.09Å; A1235-R1364 HydrophobicContact CB-CB 4.07Å; A1235-R1364 WeakPolarHBondContact O-CG 3.47Å; A1235-R1364 VanDerWaalsContact O-CZ 3.3Å; A1235-R1364 PolarHBondContact O-NE 3.2Å; A1235-R1364 PolarHBondContact O-NH2 3.34Å; D1237-R1364 PolarHBondContact O-NH2 2.78Å; A1360-R1364 VanDerWaalsContact O-CB 3.3Å; A1360-R1364 WeakPolarHBondContact O-CB 3.25Å; A1360-R1364 PolarHBondContact O-N 3.2Å; I1361-R1364 PolarHBondContact O-N 2.84Å; R1364-L1366 PolarHBondContact O-N 3.05Å; R1364-N1367 PolarHBondContact O-N 2.7Å; R1364-N1367 PolarHBondContact O-OD1 3.4Å; R1364-N1367 VanDerWaalsContact O-OD1 3.1Å |
| 1365 | M | 84.5 | Confident | 89 | Confident | 156 Ų | 156 | 41.2 Ų | 41.2 | 77% | 0.768 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -16.4 | 175.1 | -73.1 | -179.9 | 59.6 | 0 | 0 | 115 | I1361 L1363 | I1361-M1365 PolarHBondContact O-N 3.42Å; L1363-M1365 PolarHBondContact O-N 2.99Å |
| 1366 | L | 84.9 | Confident | 89.4 | Confident | 27 Ų | 27 | 37.8 Ų | 37.8 | 14% | 0.141 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | -16.1 | 178.3 | -65.6 | 171.3 | 0 | 0 | 0 | 112.9 | L1363 R1364 R1423 R1426 L1427 K1430 | L1363-L1366 HydrophobicContact CD1-CD1 4.41Å; L1363-L1366 WeakPolarHBondContact O-CB 3.45Å; L1363-L1366 PolarHBondContact O-N 2.91Å; R1364-L1366 PolarHBondContact O-N 3.05Å; L1366-R1423 PolarHBondContact O-NH1 3.46Å; L1366-R1423 PolarHBondContact O-NH2 3.47Å; L1366-R1423 VanDerWaalsContact O-NH2 3.17Å; L1366-R1426 HydrophobicContact CD2-CB 4.21Å; L1366-L1427 HydrophobicContact CD1-CD2 4.35Å; L1366-K1430 HydrophobicContact CD1-CG 4.22Å |
| 1367 | N | 85.5 | Confident | 89.7 | Confident | 109 Ų | 109 | 37.7 Ų | 37.7 | 58% | 0.583 | 19% | 0.185 | S | C | * | . | trans | 46.4 | 72 | -167.7 | -68.1 | -21.1 | 0 | 0 | 0 | 110.8 | R1364 D1369 R1423 | R1364-N1367 PolarHBondContact O-N 2.7Å; R1364-N1367 PolarHBondContact O-OD1 3.4Å; R1364-N1367 VanDerWaalsContact O-OD1 3.1Å; N1367-D1369 PolarHBondContact O-N 3.17Å; N1367-R1423 PolarHBondContact O-NH2 3.25Å | ||
| 1368 | L | 88.8 | Confident | 90 | Very high | 11 Ų | 11 | 35.2 Ų | 35.2 | 6% | 0.058 | 18% | 0.175 | C | C | . | . | trans | -67.5 | 125.3 | -176.2 | -169.9 | 73.8 | 0 | 0 | 0 | 111 | Y1232 L1363 E1372 L1373 L1376 L1427 | Y1232-L1368 HydrophobicContact CD2-CB 4.39Å; Y1232-L1368 HydrophobicContact CD2-CD2 3.91Å; Y1232-L1368 HydrophobicContact CE2-CB 4.48Å; Y1232-L1368 HydrophobicContact CE2-CD2 4.44Å; L1363-L1368 HydrophobicContact CD1-CB 4.5Å; L1363-L1368 HydrophobicContact CD1-CD2 4.24Å; L1363-L1368 HydrophobicContact CD2-CD2 4.16Å; L1363-L1368 HydrophobicContact CG-CB 4.47Å; L1363-L1368 HydrophobicContact CG-CD2 4.47Å; L1368-E1372 HydrophobicContact CD1-CB 3.59Å; L1368-E1372 HydrophobicContact CG-CB 4.21Å; L1368-L1373 HydrophobicContact CD2-CB 3.74Å; L1368-L1373 HydrophobicContact CD2-CD1 3.8Å; L1368-L1373 HydrophobicContact CD2-CG 4.37Å; L1368-L1373 HydrophobicContact CG-CB 4.31Å; L1368-L1376 HydrophobicContact CD1-CD1 3.91Å; L1368-L1376 HydrophobicContact CD2-CD1 4.33Å; L1368-L1427 HydrophobicContact CD1-CD2 3.38Å | ||
| 1369 | D | 88.8 | Confident | 90.4 | Very high | 45 Ų | 45 | 31.9 Ų | 31.9 | 24% | 0.241 | 16% | 0.157 | C | C | . | . | trans | -78.3 | 150 | 175.2 | -179.2 | 77.1 | 0 | 0 | 0 | 111.2 | N1367 V1371 E1372 L1373 Y1411 | N1367-D1369 PolarHBondContact O-N 3.17Å; D1369-V1371 VanDerWaalsContact C-N 3.25Å; D1369-V1371 PolarHBondContact O-N 3.39Å; D1369-V1371 WeakPolarHBondContact OD2-CB 3.39Å; D1369-V1371 WeakPolarHBondContact OD2-CG2 3.19Å; D1369-V1371 PolarHBondContact OD2-N 3.15Å; D1369-E1372 HydrophobicContact CB-CB 4.4Å; D1369-E1372 HydrophobicContact CB-CG 3.97Å; D1369-E1372 PolarHBondContact N-OE2 2.99Å; D1369-E1372 WeakPolarHBondContact O-CB 3.25Å; D1369-E1372 PolarHBondContact O-N 3.43Å; D1369-E1372 VanDerWaalsContact O-N 3.09Å; D1369-L1373 PolarHBondContact O-N 3.09Å; D1369-Y1411 HydrophobicContact CB-CE1 4.48Å; D1369-Y1411 WeakPolarHBondContact OD2-CE1 3.35Å; D1369-Y1411 PolarHBondContact OD2-OH 3.18Å | ||
| 1370 | P | 90.2 | Very high | 90.6 | Very high | 42 Ų | 42 | 31.8 Ų | 31.8 | 27% | 0.273 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -55.9 | -34.5 | 177.6 | -28.1 | 36.4 | 0 | 0 | 0 | 114.2 | E1142 L1373 G1374 | E1142-P1370 HydrophobicContact CB-CB 4.11Å; E1142-P1370 WeakPolarHBondContact CG-O 3.18Å; P1370-L1373 WeakPolarHBondContact O-CB 3.29Å; P1370-L1373 PolarHBondContact O-N 3.22Å; P1370-G1374 PolarHBondContact O-N 2.93Å |
| 1371 | V | 92 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.8 | -40.9 | 177.4 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | L1135 I1138 R1139 D1369 L1373 G1374 C1375 Y1411 | L1135-V1371 HydrophobicContact CB-CG1 4.37Å; L1135-V1371 HydrophobicContact CD2-CG1 4.05Å; I1138-V1371 HydrophobicContact CG2-CG1 4.47Å; R1139-V1371 HydrophobicContact CB-CG2 3.86Å; R1139-V1371 HydrophobicContact CG-CG2 4.13Å; D1369-V1371 VanDerWaalsContact C-N 3.25Å; D1369-V1371 PolarHBondContact O-N 3.39Å; D1369-V1371 WeakPolarHBondContact OD2-CB 3.39Å; D1369-V1371 WeakPolarHBondContact OD2-CG2 3.19Å; D1369-V1371 PolarHBondContact OD2-N 3.15Å; V1371-L1373 PolarHBondContact O-N 3.05Å; V1371-G1374 PolarHBondContact O-N 3.34Å; V1371-C1375 PolarHBondContact O-N 3.19Å; V1371-C1375 PolarHBondContact O-SG 3.23Å; V1371-C1375 VanDerWaalsContact O-SG 3.32Å; V1371-Y1411 HydrophobicContact CB-CD1 4.24Å; V1371-Y1411 HydrophobicContact CB-CE1 3.63Å; V1371-Y1411 HydrophobicContact CB-CE2 4.1Å; V1371-Y1411 HydrophobicContact CG1-CD1 4.14Å; V1371-Y1411 HydrophobicContact CG1-CD2 4.16Å; V1371-Y1411 HydrophobicContact CG1-CE1 4Å; V1371-Y1411 HydrophobicContact CG1-CE2 4.02Å; V1371-Y1411 HydrophobicContact CG1-CG 4.19Å; V1371-Y1411 HydrophobicContact CG2-CE1 4.3Å; V1371-Y1411 HydrophobicContact CG2-CE2 4.12Å; V1371-Y1411 VanDerWaalsContact CG2-OH 3.3Å; V1371-Y1411 WeakPolarHBondContact CG2-OH 3.27Å |
| 1372 | E | 93.2 | Very high | 91 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.8 | -40.7 | 176.2 | -61.4 | 169.2 | 164.8 | 0 | 0 | 111.6 | L1368 D1369 C1375 L1376 L1408 Y1411 W1416 R1423 L1427 | L1368-E1372 HydrophobicContact CD1-CB 3.59Å; L1368-E1372 HydrophobicContact CG-CB 4.21Å; D1369-E1372 HydrophobicContact CB-CB 4.4Å; D1369-E1372 HydrophobicContact CB-CG 3.97Å; D1369-E1372 PolarHBondContact N-OE2 2.99Å; D1369-E1372 WeakPolarHBondContact O-CB 3.25Å; D1369-E1372 PolarHBondContact O-N 3.43Å; D1369-E1372 VanDerWaalsContact O-N 3.09Å; E1372-C1375 PolarHBondContact O-N 3.34Å; E1372-L1376 WeakPolarHBondContact O-CB 3.37Å; E1372-L1376 VanDerWaalsContact O-CG 3.29Å; E1372-L1376 WeakPolarHBondContact O-CG 3.4Å; E1372-L1376 PolarHBondContact O-N 3.17Å; E1372-L1408 HydrophobicContact CB-CD1 4.28Å; E1372-L1408 HydrophobicContact CG-CD1 4.07Å; E1372-Y1411 HydrophobicContact CG-CD1 4.01Å; E1372-Y1411 HydrophobicContact CG-CE1 4.02Å; E1372-W1416 PolarHBondContact OE1-NE1 2.64Å; E1372-R1423 IonicContact OE1-CZ 3.37Å; E1372-R1423 IonicContact OE1-NE 2.72Å; E1372-R1423 PolarHBondContact OE1-NE 3.08Å; E1372-R1423 IonicContact OE1-NH2 3.2Å; E1372-R1423 PolarHBondContact OE1-NH2 3.05Å; E1372-R1423 IonicContact OE2-CZ 3.57Å; E1372-R1423 IonicContact OE2-NE 3.6Å; E1372-R1423 IonicContact OE2-NH2 2.69Å; E1372-R1423 PolarHBondContact OE2-NH2 2.61Å; E1372-L1427 HydrophobicContact CB-CD1 4.09Å; E1372-L1427 HydrophobicContact CG-CD1 4.04Å |
| 1373 | L | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.1 | -49.5 | 171.6 | 176.8 | 68.7 | 0 | 0 | 0 | 111.5 | E1142 V1228 Y1232 L1368 D1369 P1370 V1371 L1376 K1377 | E1142-L1373 WeakPolarHBondContact OE2-CD2 3.38Å; V1228-L1373 HydrophobicContact CG1-CD1 3.57Å; Y1232-L1373 HydrophobicContact CD1-CD2 3.48Å; Y1232-L1373 VanDerWaalsContact CD1-CD2 3.48Å; Y1232-L1373 HydrophobicContact CD2-CD1 4.1Å; Y1232-L1373 HydrophobicContact CD2-CD2 3.82Å; Y1232-L1373 HydrophobicContact CD2-CG 4.37Å; Y1232-L1373 HydrophobicContact CE1-CD2 3.59Å; Y1232-L1373 HydrophobicContact CE2-CB 4.47Å; Y1232-L1373 HydrophobicContact CE2-CD2 3.9Å; Y1232-L1373 HydrophobicContact CG-CD1 3.95Å; Y1232-L1373 HydrophobicContact CG-CD2 3.58Å; Y1232-L1373 HydrophobicContact CG-CG 4.35Å; L1368-L1373 HydrophobicContact CD2-CB 3.74Å; L1368-L1373 HydrophobicContact CD2-CD1 3.8Å; L1368-L1373 HydrophobicContact CD2-CG 4.37Å; L1368-L1373 HydrophobicContact CG-CB 4.31Å; D1369-L1373 PolarHBondContact O-N 3.09Å; P1370-L1373 WeakPolarHBondContact O-CB 3.29Å; P1370-L1373 PolarHBondContact O-N 3.22Å; V1371-L1373 PolarHBondContact O-N 3.05Å; L1373-L1376 PolarHBondContact O-N 3.03Å; L1373-K1377 HydrophobicContact CD1-CD 4.44Å; L1373-K1377 HydrophobicContact CG-CD 4.12Å; L1373-K1377 WeakPolarHBondContact O-CG 3.36Å; L1373-K1377 PolarHBondContact O-N 3.38Å |
| 1374 | G | 93.5 | Very high | 91 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.3 | -40.5 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1142 P1370 V1371 L1378 | E1142-G1374 WeakPolarHBondContact OE1-CA 3.39Å; P1370-G1374 PolarHBondContact O-N 2.93Å; V1371-G1374 PolarHBondContact O-N 3.34Å; G1374-L1378 VanDerWaalsContact O-CB 3.28Å; G1374-L1378 WeakPolarHBondContact O-CB 3.43Å; G1374-L1378 PolarHBondContact O-N 3.27Å |
| 1375 | C | 94 | Very high | 90.7 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.9 | -45.7 | 171.9 | -68.9 | 0 | 0 | 0 | 0 | 112.1 | V1371 E1372 K1377 L1378 I1379 V1404 L1408 | V1371-C1375 PolarHBondContact O-N 3.19Å; V1371-C1375 PolarHBondContact O-SG 3.23Å; V1371-C1375 VanDerWaalsContact O-SG 3.32Å; E1372-C1375 PolarHBondContact O-N 3.34Å; C1375-K1377 PolarHBondContact O-N 2.95Å; C1375-L1378 PolarHBondContact O-N 3.39Å; C1375-I1379 WeakPolarHBondContact O-CD1 3.29Å; C1375-I1379 VanDerWaalsContact O-CG1 3.26Å; C1375-I1379 WeakPolarHBondContact O-CG1 3.46Å; C1375-I1379 PolarHBondContact O-N 3.02Å; C1375-V1404 HydrophobicContact CB-CG1 4.16Å; C1375-L1408 HydrophobicContact CB-CB 4.03Å; C1375-L1408 HydrophobicContact CB-CD1 3.87Å; C1375-L1408 HydrophobicContact CB-CD2 3.88Å; C1375-L1408 HydrophobicContact CB-CG 4.14Å |
| 1376 | L | 94.7 | Very high | 90.1 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.6 | -44 | 177.5 | -74.2 | 171.4 | 0 | 0 | 0 | 112.1 | L1368 E1372 L1373 L1378 I1379 L1380 L1427 L1431 | L1368-L1376 HydrophobicContact CD1-CD1 3.91Å; L1368-L1376 HydrophobicContact CD2-CD1 4.33Å; E1372-L1376 WeakPolarHBondContact O-CB 3.37Å; E1372-L1376 VanDerWaalsContact O-CG 3.29Å; E1372-L1376 WeakPolarHBondContact O-CG 3.4Å; E1372-L1376 PolarHBondContact O-N 3.17Å; L1373-L1376 PolarHBondContact O-N 3.03Å; L1376-L1378 VanDerWaalsContact C-N 3.35Å; L1376-I1379 PolarHBondContact O-N 3.44Å; L1376-L1380 WeakPolarHBondContact O-CG 3.27Å; L1376-L1380 PolarHBondContact O-N 3.3Å; L1376-L1380 VanDerWaalsContact O-N 3.1Å; L1376-L1427 HydrophobicContact CD1-CB 4.42Å; L1376-L1427 HydrophobicContact CD1-CD2 4.44Å; L1376-L1427 HydrophobicContact CD2-CB 4.29Å; L1376-L1431 HydrophobicContact CD2-CD2 3.78Å; L1376-L1431 HydrophobicContact CD2-CG 4.13Å |
| 1377 | K | 95.2 | Very high | 89.1 | Confident | 1 Ų | 1 | 19.6 Ų | 19.6 | 0% | 0.004 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.4 | -44.4 | 172.7 | -73 | 166.7 | 173.2 | 179.9 | 0 | 111.7 | E1142 W1199 L1225 V1228 N1229 L1373 C1375 L1380 L1381 | E1142-K1377 WeakPolarHBondContact OE1-CD 3.4Å; E1142-K1377 WeakPolarHBondContact OE1-CE 3.49Å; E1142-K1377 IonicContact OE1-NZ 3.17Å; E1142-K1377 PolarHBondContact OE1-NZ 3.12Å; E1142-K1377 IonicContact OE2-NZ 2.78Å; E1142-K1377 PolarHBondContact OE2-NZ 2.84Å; W1199-K1377 HydrophobicContact CH2-CB 3.49Å; W1199-K1377 VanDerWaalsContact CH2-CB 3.49Å; W1199-K1377 HydrophobicContact CH2-CD 4.46Å; W1199-K1377 HydrophobicContact CZ2-CB 3.41Å; W1199-K1377 VanDerWaalsContact CZ2-CB 3.41Å; W1199-K1377 HydrophobicContact CZ2-CD 3.84Å; W1199-K1377 HydrophobicContact CZ2-CG 4.31Å; W1199-K1377 HydrophobicContact CZ3-CB 4.41Å; L1225-K1377 HydrophobicContact CD2-CB 3.74Å; L1225-K1377 HydrophobicContact CD2-CG 4.04Å; L1225-K1377 WeakPolarHBondContact CD2-O 3.02Å; V1228-K1377 HydrophobicContact CG1-CG 3.76Å; N1229-K1377 WeakPolarHBondContact OD1-CE 3.27Å; N1229-K1377 PolarHBondContact OD1-NZ 2.85Å; L1373-K1377 HydrophobicContact CD1-CD 4.44Å; L1373-K1377 HydrophobicContact CG-CD 4.12Å; L1373-K1377 WeakPolarHBondContact O-CG 3.36Å; L1373-K1377 PolarHBondContact O-N 3.38Å; C1375-K1377 PolarHBondContact O-N 2.95Å; K1377-L1380 PolarHBondContact O-N 3.34Å; K1377-L1381 WeakPolarHBondContact O-CB 3.24Å; K1377-L1381 PolarHBondContact O-N 2.96Å |
| 1378 | L | 93.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -69.4 | -34.6 | -178.4 | -173.5 | 57.8 | 0 | 0 | 0 | 112.2 | I1138 W1199 L1203 Y1205 I1206 G1374 C1375 L1376 L1381 L1382 V1404 | I1138-L1378 HydrophobicContact CD1-CD2 4.24Å; W1199-L1378 HydrophobicContact CH2-CB 4.44Å; L1203-L1378 HydrophobicContact CD1-CD1 3.96Å; L1203-L1378 HydrophobicContact CD1-CD2 4.4Å; Y1205-L1378 HydrophobicContact CD2-CD2 3.57Å; Y1205-L1378 HydrophobicContact CE2-CD2 3.98Å; Y1205-L1378 HydrophobicContact CG-CD2 4.1Å; I1206-L1378 HydrophobicContact CD1-CD1 4.2Å; I1206-L1378 HydrophobicContact CG1-CD1 4.39Å; G1374-L1378 VanDerWaalsContact O-CB 3.28Å; G1374-L1378 WeakPolarHBondContact O-CB 3.43Å; G1374-L1378 PolarHBondContact O-N 3.27Å; C1375-L1378 PolarHBondContact O-N 3.39Å; L1376-L1378 VanDerWaalsContact C-N 3.35Å; L1378-L1381 PolarHBondContact O-N 3.29Å; L1378-L1382 HydrophobicContact CD1-CD1 3.8Å; L1378-L1382 HydrophobicContact CD1-CG 3.86Å; L1378-L1382 HydrophobicContact CG-CD1 3.82Å; L1378-L1382 HydrophobicContact CG-CG 4.3Å; L1378-L1382 WeakPolarHBondContact O-CB 3.45Å; L1378-L1382 WeakPolarHBondContact O-CG 3.45Å; L1378-L1382 PolarHBondContact O-N 3.3Å; L1378-V1404 HydrophobicContact CB-CG1 4.36Å; L1378-V1404 HydrophobicContact CD2-CG1 4.25Å; L1378-V1404 HydrophobicContact CD2-CG2 3.47Å; L1378-V1404 VanDerWaalsContact CD2-CG2 3.47Å; L1378-V1404 HydrophobicContact CG-CG1 4.4Å; L1378-V1404 HydrophobicContact CG-CG2 3.92Å |
| 1379 | I | 94.5 | Very high | 85.7 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61 | -43.3 | 170.1 | -70.5 | 157.8 | 0 | 0 | 0 | 110.9 | C1375 L1376 R1401 V1404 Y1405 L1408 L1428 L1431 | C1375-I1379 WeakPolarHBondContact O-CD1 3.29Å; C1375-I1379 VanDerWaalsContact O-CG1 3.26Å; C1375-I1379 WeakPolarHBondContact O-CG1 3.46Å; C1375-I1379 PolarHBondContact O-N 3.02Å; L1376-I1379 PolarHBondContact O-N 3.44Å; I1379-R1401 PolarHBondContact O-NE 3.07Å; I1379-R1401 VanDerWaalsContact O-NE 3.1Å; I1379-R1401 PolarHBondContact O-NH2 3.32Å; I1379-V1404 HydrophobicContact CD1-CG1 4.29Å; I1379-V1404 HydrophobicContact CG1-CB 4.48Å; I1379-V1404 HydrophobicContact CG1-CG1 3.83Å; I1379-Y1405 HydrophobicContact CB-CE1 4.45Å; I1379-Y1405 HydrophobicContact CD1-CD1 3.69Å; I1379-Y1405 HydrophobicContact CD1-CE1 3.65Å; I1379-Y1405 HydrophobicContact CG1-CD1 4.03Å; I1379-Y1405 HydrophobicContact CG1-CE1 3.8Å; I1379-Y1405 HydrophobicContact CG2-CE1 3.74Å; I1379-L1408 HydrophobicContact CD1-CD2 4.06Å; I1379-L1428 HydrophobicContact CD1-CD2 4.05Å; I1379-L1431 HydrophobicContact CG2-CD1 3.83Å; I1379-L1431 HydrophobicContact CG2-CD2 4.46Å |
| 1380 | L | 94.3 | Very high | 84.2 | Confident | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.7 | -41.3 | 176.6 | -68.1 | 166.2 | 0 | 0 | 0 | 112.2 | L1225 V1228 L1376 K1377 L1431 Q1435 | L1225-L1380 HydrophobicContact CD2-CB 4.46Å; V1228-L1380 HydrophobicContact CG2-CD1 3.6Å; L1376-L1380 WeakPolarHBondContact O-CG 3.27Å; L1376-L1380 PolarHBondContact O-N 3.3Å; L1376-L1380 VanDerWaalsContact O-N 3.1Å; K1377-L1380 PolarHBondContact O-N 3.34Å; L1380-L1431 HydrophobicContact CD1-CD2 4.12Å; L1380-L1431 HydrophobicContact CD2-CD2 3.74Å; L1380-L1431 HydrophobicContact CG-CD2 3.73Å; L1380-Q1435 HydrophobicContact CD2-CG 4.32Å |
| 1381 | L | 93.7 | Very high | 82.8 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68 | -42.6 | 179.1 | 178.5 | 59.6 | 0 | 0 | 0 | 113.1 | W1199 I1206 L1217 L1218 A1221 L1225 K1377 L1378 N1383 | W1199-L1381 HydrophobicContact CH2-CD2 4.35Å; W1199-L1381 HydrophobicContact CZ3-CD2 3.84Å; I1206-L1381 HydrophobicContact CD1-CD2 3.55Å; L1217-L1381 VanDerWaalsContact C-CD1 3.49Å; L1217-L1381 HydrophobicContact CB-CD1 3.86Å; L1218-L1381 HydrophobicContact CD2-CD1 4.03Å; L1218-L1381 HydrophobicContact CD2-CD2 4.38Å; L1218-L1381 HydrophobicContact CG-CD1 4.22Å; A1221-L1381 HydrophobicContact CB-CB 4.48Å; A1221-L1381 HydrophobicContact CB-CD1 3.97Å; L1225-L1381 HydrophobicContact CD1-CB 4.42Å; L1225-L1381 HydrophobicContact CD1-CD1 4.31Å; K1377-L1381 WeakPolarHBondContact O-CB 3.24Å; K1377-L1381 PolarHBondContact O-N 2.96Å; L1378-L1381 PolarHBondContact O-N 3.29Å; L1381-N1383 PolarHBondContact O-N 3.1Å |
| 1382 | L | 92.1 | Very high | 81.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -78.9 | 60.2 | 179.9 | -65.8 | 173.5 | 0 | 0 | 0 | 111.3 | L1209 L1378 P1384 I1397 L1400 R1401 V1404 | L1209-L1382 HydrophobicContact CD1-CD2 4.29Å; L1378-L1382 HydrophobicContact CD1-CD1 3.8Å; L1378-L1382 HydrophobicContact CD1-CG 3.86Å; L1378-L1382 HydrophobicContact CG-CD1 3.82Å; L1378-L1382 HydrophobicContact CG-CG 4.3Å; L1378-L1382 WeakPolarHBondContact O-CB 3.45Å; L1378-L1382 WeakPolarHBondContact O-CG 3.45Å; L1378-L1382 PolarHBondContact O-N 3.3Å; L1382-P1384 WeakPolarHBondContact O-CD 3.47Å; L1382-I1397 HydrophobicContact CB-CG2 4.23Å; L1382-I1397 WeakPolarHBondContact O-CG2 3.36Å; L1382-L1400 HydrophobicContact CD1-CB 3.94Å; L1382-L1400 HydrophobicContact CD2-CB 4.37Å; L1382-R1401 HydrophobicContact CB-CB 4.16Å; L1382-R1401 PolarHBondContact O-NE 2.87Å; L1382-R1401 PolarHBondContact O-NH2 2.88Å; L1382-V1404 HydrophobicContact CD1-CG2 4.19Å |
| 1383 | N | 89.1 | Confident | 81 | Confident | 29 Ų | 29 | 37.1 Ų | 37.1 | 16% | 0.155 | 21% | 0.21 | C | C | . | . | trans | -94.1 | 111.4 | -176.6 | -159.9 | 35.1 | 0 | 0 | 0 | 112.6 | L1381 D1385 S1386 R1401 | L1381-N1383 PolarHBondContact O-N 3.1Å; N1383-D1385 PolarHBondContact O-N 3.2Å; N1383-S1386 PolarHBondContact O-OG 3.05Å; N1383-R1401 PolarHBondContact OD1-NH1 3.32Å; N1383-R1401 PolarHBondContact OD1-NH2 3.33Å | ||
| 1384 | P | 86.6 | Confident | 80.6 | Confident | 6 Ų | 6 | 41.4 Ų | 41.4 | 4% | 0.039 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -14.2 | 179.4 | 33.6 | -37 | 0 | 0 | 0 | 112.9 | L1382 R1394 I1397 E1398 R1401 | L1382-P1384 WeakPolarHBondContact O-CD 3.47Å; P1384-R1394 HydrophobicContact CB-CG 3.69Å; P1384-R1394 PolarHBondContact O-NH1 3.43Å; P1384-I1397 HydrophobicContact CB-CB 4.41Å; P1384-I1397 HydrophobicContact CB-CG2 4.13Å; P1384-E1398 HydrophobicContact CB-CG 3.62Å; P1384-E1398 HydrophobicContact CG-CG 3.67Å; P1384-R1401 VanDerWaalsContact CD-NH1 3.29Å |
| 1385 | D | 82.8 | Confident | 80.2 | Confident | 76 Ų | 76 | 45.1 Ų | 45.1 | 41% | 0.406 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -14.9 | -177.8 | -63.7 | -40 | 0 | 0 | 0 | 113.8 | N1383 R1394 | N1383-D1385 PolarHBondContact O-N 3.2Å; D1385-R1394 IonicContact OD1-CZ 3.51Å; D1385-R1394 IonicContact OD1-NH1 3.71Å; D1385-R1394 PolarHBondContact OD1-NH1 3.2Å; D1385-R1394 IonicContact OD1-NH2 2.66Å; D1385-R1394 PolarHBondContact OD1-NH2 2.83Å |
| 1386 | S | 71.1 | Confident | 79.8 | Confident | 38 Ų | 38 | 48 Ų | 48 | 27% | 0.266 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -83.8 | -15 | 176.3 | 55.1 | 0 | 0 | 0 | 0 | 114 | S1220 N1383 T1388 | S1220-S1386 VanDerWaalsContact CB-CB 3.41Å; S1220-S1386 WeakPolarHBondContact CB-OG 3.36Å; S1220-S1386 WeakPolarHBondContact OG-CB 3.48Å; S1220-S1386 PolarHBondContact OG-OG 3.38Å; N1383-S1386 PolarHBondContact O-OG 3.05Å; S1386-T1388 PolarHBondContact O-N 3.33Å |
| 1387 | M | 64.2 | Low | 79.5 | Confident | 44 Ų | 44 | 47.9 Ų | 47.9 | 22% | 0.217 | 27% | 0.267 | C | S | . | . | trans | -102 | 67.6 | -174.5 | -64.1 | -63 | 118.3 | 0 | 0 | 111.9 | D1216 L1217 C1389 I1397 | D1216-M1387 VanDerWaalsContact C-CE 3.42Å; D1216-M1387 HydrophobicContact CB-CE 3.82Å; D1216-M1387 HydrophobicContact CB-SD 3.7Å; D1216-M1387 VanDerWaalsContact O-CE 3.25Å; D1216-M1387 WeakPolarHBondContact O-CE 3.23Å; L1217-M1387 HydrophobicContact CD2-CE 4.28Å; L1217-M1387 HydrophobicContact CD2-CG 3.91Å; M1387-C1389 PolarHBondContact O-N 3.48Å; M1387-I1397 HydrophobicContact CG-CD1 4.38Å | ||
| 1388 | T | 54.2 | Low | 79.2 | Confident | 81 Ų | 81 | 51 Ų | 51 | 50% | 0.497 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -6.5 | -176 | 53.4 | 0 | 0 | 0 | 0 | 115.2 | S1386 | S1386-T1388 PolarHBondContact O-N 3.33Š|
| 1389 | C | 49.3 | Very low | 79 | Confident | 112 Ų | 112 | 55.6 Ų | 55.6 | 76% | 0.757 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -15 | -169.8 | -62.4 | 0 | 0 | 0 | 0 | 115.7 | M1387 | M1387-C1389 PolarHBondContact O-N 3.48Š|
| 1390 | L | 56.2 | Low | 78.7 | Confident | 98 Ų | 98 | 55.6 Ų | 55.6 | 51% | 0.513 | 31% | 0.306 | S | S | . | . | trans | -141.3 | 79.7 | -171.2 | -70.3 | 175.6 | 0 | 0 | 0 | 113.4 | N1392 I1393 | L1390-N1392 PolarHBondContact O-N 3.11Å; L1390-I1393 HydrophobicContact CB-CD1 4.39Å; L1390-I1393 HydrophobicContact CB-CG1 4.34Å; L1390-I1393 HydrophobicContact CD1-CD1 3.84Å; L1390-I1393 PolarHBondContact O-N 3.2Å | ||
| 1391 | N | 62.1 | Low | 78.6 | Confident | 114 Ų | 114 | 56.9 Ų | 56.9 | 61% | 0.61 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -49.4 | -34 | 175.9 | -67.8 | 12.8 | 0 | 0 | 0 | 113.4 | I1393 R1394 | N1391-I1393 PolarHBondContact O-N 3Å; N1391-R1394 PolarHBondContact O-N 3.15Å |
| 1392 | N | 67.4 | Low | 78.5 | Confident | 126 Ų | 126 | 61.3 Ų | 61.3 | 67% | 0.674 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.8 | -19.4 | -178 | -65.1 | 10.9 | 0 | 0 | 0 | 114.4 | L1390 | L1390-N1392 PolarHBondContact O-N 3.11Å |
| 1393 | I | 78.6 | Confident | 78.4 | Confident | 44 Ų | 44 | 64.8 Ų | 64.8 | 23% | 0.226 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -105.7 | -17.4 | -176.9 | -51.8 | -174 | 0 | 0 | 0 | 111.4 | V1213 L1390 N1391 S1395 L1396 I1397 | V1213-I1393 HydrophobicContact CG1-CG2 4.28Å; V1213-I1393 HydrophobicContact CG2-CD1 3.71Å; V1213-I1393 HydrophobicContact CG2-CG2 4.47Å; L1390-I1393 HydrophobicContact CB-CD1 4.39Å; L1390-I1393 HydrophobicContact CB-CG1 4.34Å; L1390-I1393 HydrophobicContact CD1-CD1 3.84Å; L1390-I1393 PolarHBondContact O-N 3.2Å; N1391-I1393 PolarHBondContact O-N 3Å; I1393-S1395 VanDerWaalsContact C-N 3.35Å; I1393-S1395 PolarHBondContact O-N 3.29Å; I1393-L1396 WeakPolarHBondContact O-CB 3.2Å; I1393-L1396 PolarHBondContact O-N 3.09Å; I1393-L1396 VanDerWaalsContact O-N 3.09Å; I1393-I1397 HydrophobicContact CG2-CD1 3.98Å; I1393-I1397 HydrophobicContact CG2-CG1 4.25Å; I1393-I1397 PolarHBondContact O-N 3.35Å; I1393-I1397 VanDerWaalsContact O-N 3.15Å |
| 1394 | R | 85.4 | Confident | 78.5 | Confident | 90 Ų | 90 | 63.4 Ų | 63.4 | 34% | 0.34 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -54.6 | -47.1 | -176.7 | -169.8 | -169.7 | 164.6 | 94.4 | 8 | 112.8 | P1384 D1385 N1391 L1396 I1397 E1398 | P1384-R1394 HydrophobicContact CB-CG 3.69Å; P1384-R1394 PolarHBondContact O-NH1 3.43Å; D1385-R1394 IonicContact OD1-CZ 3.51Å; D1385-R1394 IonicContact OD1-NH1 3.71Å; D1385-R1394 PolarHBondContact OD1-NH1 3.2Å; D1385-R1394 IonicContact OD1-NH2 2.66Å; D1385-R1394 PolarHBondContact OD1-NH2 2.83Å; N1391-R1394 PolarHBondContact O-N 3.15Å; R1394-L1396 VanDerWaalsContact C-N 3.3Å; R1394-L1396 PolarHBondContact O-N 3.33Å; R1394-I1397 PolarHBondContact O-N 2.97Å; R1394-I1397 VanDerWaalsContact O-N 3.17Å; R1394-E1398 IonicContact CZ-OE1 2.7Å; R1394-E1398 IonicContact NE-OE1 2.78Å; R1394-E1398 PolarHBondContact NE-OE1 3.03Å; R1394-E1398 IonicContact NE-OE2 2.66Å; R1394-E1398 IonicContact NH2-OE1 2.92Å; R1394-E1398 PolarHBondContact NH2-OE1 3.47Å; R1394-E1398 WeakPolarHBondContact O-CG 3.32Å; R1394-E1398 PolarHBondContact O-N 3.37Å |
| 1395 | S | 84.9 | Confident | 78.8 | Confident | 78 Ų | 78 | 66.3 Ų | 66.3 | 55% | 0.545 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.9 | -27.9 | -179.2 | 52.2 | 0 | 0 | 0 | 0 | 113.6 | I1393 L1399 | I1393-S1395 VanDerWaalsContact C-N 3.35Å; I1393-S1395 PolarHBondContact O-N 3.29Å; S1395-L1399 WeakPolarHBondContact O-CB 3.12Å; S1395-L1399 PolarHBondContact O-N 3.2Å |
| 1396 | L | 85.9 | Confident | 79.3 | Confident | 61 Ų | 61 | 64.6 Ų | 64.6 | 32% | 0.319 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -71.3 | -40.8 | 172.2 | 178.5 | 62.1 | 0 | 0 | 0 | 111 | L1209 I1393 R1394 L1399 L1400 | L1209-L1396 HydrophobicContact CD2-CD2 4.07Å; L1209-L1396 HydrophobicContact CD2-CG 4.45Å; I1393-L1396 WeakPolarHBondContact O-CB 3.2Å; I1393-L1396 PolarHBondContact O-N 3.09Å; I1393-L1396 VanDerWaalsContact O-N 3.09Å; R1394-L1396 VanDerWaalsContact C-N 3.3Å; R1394-L1396 PolarHBondContact O-N 3.33Å; L1396-L1399 PolarHBondContact O-N 3.05Å; L1396-L1400 HydrophobicContact CD1-CD1 4.27Å; L1396-L1400 HydrophobicContact CD1-CG 4.36Å; L1396-L1400 HydrophobicContact CG-CD1 4.1Å; L1396-L1400 WeakPolarHBondContact O-CB 3.17Å; L1396-L1400 VanDerWaalsContact O-CG 3.27Å; L1396-L1400 WeakPolarHBondContact O-CG 3.32Å; L1396-L1400 PolarHBondContact O-N 2.9Å |
| 1397 | I | 88.7 | Confident | 80.2 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.9 | -40.5 | 176.3 | -63 | 161.6 | 0 | 0 | 0 | 110.6 | L1217 L1382 P1384 M1387 I1393 R1394 L1400 R1401 | L1217-I1397 HydrophobicContact CD1-CD1 4.42Å; L1217-I1397 HydrophobicContact CD2-CD1 4.26Å; L1382-I1397 HydrophobicContact CB-CG2 4.23Å; L1382-I1397 WeakPolarHBondContact O-CG2 3.36Å; P1384-I1397 HydrophobicContact CB-CB 4.41Å; P1384-I1397 HydrophobicContact CB-CG2 4.13Å; M1387-I1397 HydrophobicContact CG-CD1 4.38Å; I1393-I1397 HydrophobicContact CG2-CD1 3.98Å; I1393-I1397 HydrophobicContact CG2-CG1 4.25Å; I1393-I1397 PolarHBondContact O-N 3.35Å; I1393-I1397 VanDerWaalsContact O-N 3.15Å; R1394-I1397 PolarHBondContact O-N 2.97Å; R1394-I1397 VanDerWaalsContact O-N 3.17Å; I1397-L1400 PolarHBondContact O-N 3.3Å; I1397-R1401 WeakPolarHBondContact O-CB 3.35Å; I1397-R1401 PolarHBondContact O-N 2.9Å |
| 1398 | E | 89.3 | Confident | 81.5 | Confident | 66 Ų | 66 | 60.8 Ų | 60.8 | 31% | 0.308 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.9 | -50 | 172.5 | -74.5 | 169.6 | 161 | 0 | 0 | 111.1 | P1384 R1394 L1400 R1401 D1402 | P1384-E1398 HydrophobicContact CB-CG 3.62Å; P1384-E1398 HydrophobicContact CG-CG 3.67Å; R1394-E1398 IonicContact CZ-OE1 2.7Å; R1394-E1398 IonicContact NE-OE1 2.78Å; R1394-E1398 PolarHBondContact NE-OE1 3.03Å; R1394-E1398 IonicContact NE-OE2 2.66Å; R1394-E1398 IonicContact NH2-OE1 2.92Å; R1394-E1398 PolarHBondContact NH2-OE1 3.47Å; R1394-E1398 WeakPolarHBondContact O-CG 3.32Å; R1394-E1398 PolarHBondContact O-N 3.37Å; E1398-L1400 PolarHBondContact O-N 2.91Å; E1398-R1401 PolarHBondContact O-N 2.91Å; E1398-D1402 PolarHBondContact O-N 2.85Å |
| 1399 | L | 88.5 | Confident | 83.3 | Confident | 97 Ų | 97 | 60.5 Ų | 60.5 | 51% | 0.508 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 177.3 | -179.7 | 63.2 | 0 | 0 | 0 | 113.2 | S1395 L1396 D1402 Q1403 | S1395-L1399 WeakPolarHBondContact O-CB 3.12Å; S1395-L1399 PolarHBondContact O-N 3.2Å; L1396-L1399 PolarHBondContact O-N 3.05Å; L1399-D1402 PolarHBondContact O-N 3.09Å; L1399-Q1403 WeakPolarHBondContact O-CG 3.38Å; L1399-Q1403 PolarHBondContact O-N 2.69Å; L1399-Q1403 VanDerWaalsContact O-N 3.09Å |
| 1400 | L | 89 | Confident | 85.3 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 176.6 | -72.9 | 167.9 | 0 | 0 | 0 | 111.5 | Y1205 L1209 L1382 L1396 I1397 E1398 Q1403 V1404 | Y1205-L1400 HydrophobicContact CD1-CD2 4.08Å; L1209-L1400 HydrophobicContact CD2-CD1 3.83Å; L1209-L1400 HydrophobicContact CG-CD1 4.25Å; L1382-L1400 HydrophobicContact CD1-CB 3.94Å; L1382-L1400 HydrophobicContact CD2-CB 4.37Å; L1396-L1400 HydrophobicContact CD1-CD1 4.27Å; L1396-L1400 HydrophobicContact CD1-CG 4.36Å; L1396-L1400 HydrophobicContact CG-CD1 4.1Å; L1396-L1400 WeakPolarHBondContact O-CB 3.17Å; L1396-L1400 VanDerWaalsContact O-CG 3.27Å; L1396-L1400 WeakPolarHBondContact O-CG 3.32Å; L1396-L1400 PolarHBondContact O-N 2.9Å; I1397-L1400 PolarHBondContact O-N 3.3Å; E1398-L1400 PolarHBondContact O-N 2.91Å; L1400-Q1403 PolarHBondContact O-N 3.18Å; L1400-V1404 WeakPolarHBondContact O-CG2 3.34Å; L1400-V1404 PolarHBondContact O-N 3.43Å |
| 1401 | R | 91.5 | Very high | 86.9 | Confident | 31 Ų | 31 | 55.8 Ų | 55.8 | 12% | 0.117 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.2 | -41 | 174.6 | 179.1 | -176.8 | -97.9 | 177.7 | -1.5 | 111.2 | I1379 L1382 N1383 P1384 I1397 E1398 Q1403 V1404 Y1405 | I1379-R1401 PolarHBondContact O-NE 3.07Å; I1379-R1401 VanDerWaalsContact O-NE 3.1Å; I1379-R1401 PolarHBondContact O-NH2 3.32Å; L1382-R1401 HydrophobicContact CB-CB 4.16Å; L1382-R1401 PolarHBondContact O-NE 2.87Å; L1382-R1401 PolarHBondContact O-NH2 2.88Å; N1383-R1401 PolarHBondContact OD1-NH1 3.32Å; N1383-R1401 PolarHBondContact OD1-NH2 3.33Å; P1384-R1401 VanDerWaalsContact CD-NH1 3.29Å; I1397-R1401 WeakPolarHBondContact O-CB 3.35Å; I1397-R1401 PolarHBondContact O-N 2.9Å; E1398-R1401 PolarHBondContact O-N 2.91Å; R1401-Q1403 PolarHBondContact O-N 3.04Å; R1401-V1404 WeakPolarHBondContact O-CB 3.25Å; R1401-V1404 PolarHBondContact O-N 3.22Å; R1401-V1404 VanDerWaalsContact O-N 3.08Å; R1401-Y1405 HydrophobicContact CG-CD2 4.16Å; R1401-Y1405 HydrophobicContact CG-CE2 3.65Å; R1401-Y1405 PolarHBondContact O-N 3.1Å |
| 1402 | D | 91.5 | Very high | 88.3 | Confident | 94 Ų | 94 | 50.4 Ų | 50.4 | 50% | 0.503 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66 | -35.7 | 178.7 | -72.8 | -14.3 | 0 | 0 | 0 | 112.6 | E1398 L1399 V1404 Y1405 A1406 | E1398-D1402 PolarHBondContact O-N 2.85Å; L1399-D1402 PolarHBondContact O-N 3.09Å; D1402-V1404 VanDerWaalsContact C-N 3.27Å; D1402-V1404 PolarHBondContact O-N 3.41Å; D1402-Y1405 PolarHBondContact O-N 3.24Å; D1402-A1406 PolarHBondContact O-N 3.49Å |
| 1403 | Q | 89.5 | Confident | 89.3 | Confident | 73 Ų | 73 | 48.8 Ų | 48.8 | 34% | 0.341 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.3 | -35.3 | 170.3 | -70.7 | 173 | 9.5 | 0 | 0 | 112.5 | Y1205 L1399 L1400 R1401 G1407 | Y1205-Q1403 HydrophobicContact CE1-CB 4.02Å; L1399-Q1403 WeakPolarHBondContact O-CG 3.38Å; L1399-Q1403 PolarHBondContact O-N 2.69Å; L1399-Q1403 VanDerWaalsContact O-N 3.09Å; L1400-Q1403 PolarHBondContact O-N 3.18Å; R1401-Q1403 PolarHBondContact O-N 3.04Å; Q1403-G1407 PolarHBondContact O-N 3.15Å |
| 1404 | V | 91.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -75.5 | -35 | 177.5 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | Y1205 C1375 L1378 I1379 L1382 L1400 R1401 D1402 G1407 L1408 | Y1205-V1404 HydrophobicContact CD1-CG2 4.23Å; Y1205-V1404 HydrophobicContact CE1-CG2 3.97Å; Y1205-V1404 HydrophobicContact CE2-CG2 4.3Å; C1375-V1404 HydrophobicContact CB-CG1 4.16Å; L1378-V1404 HydrophobicContact CB-CG1 4.36Å; L1378-V1404 HydrophobicContact CD2-CG1 4.25Å; L1378-V1404 HydrophobicContact CD2-CG2 3.47Å; L1378-V1404 VanDerWaalsContact CD2-CG2 3.47Å; L1378-V1404 HydrophobicContact CG-CG1 4.4Å; L1378-V1404 HydrophobicContact CG-CG2 3.92Å; I1379-V1404 HydrophobicContact CD1-CG1 4.29Å; I1379-V1404 HydrophobicContact CG1-CB 4.48Å; I1379-V1404 HydrophobicContact CG1-CG1 3.83Å; L1382-V1404 HydrophobicContact CD1-CG2 4.19Å; L1400-V1404 WeakPolarHBondContact O-CG2 3.34Å; L1400-V1404 PolarHBondContact O-N 3.43Å; R1401-V1404 WeakPolarHBondContact O-CB 3.25Å; R1401-V1404 PolarHBondContact O-N 3.22Å; R1401-V1404 VanDerWaalsContact O-N 3.08Å; D1402-V1404 VanDerWaalsContact C-N 3.27Å; D1402-V1404 PolarHBondContact O-N 3.41Å; V1404-G1407 PolarHBondContact O-N 3.21Å; V1404-L1408 WeakPolarHBondContact O-CB 3.43Å; V1404-L1408 PolarHBondContact O-N 3.34Å |
| 1405 | Y | 93.7 | Very high | 89.9 | Confident | 67 Ų | 67 | 51.2 Ų | 51.2 | 26% | 0.263 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 169.7 | -70.6 | -43.7 | 0 | 0 | 0 | 111.6 | I1379 R1401 D1402 G1407 L1408 E1409 M1424 L1428 | I1379-Y1405 HydrophobicContact CB-CE1 4.45Å; I1379-Y1405 HydrophobicContact CD1-CD1 3.69Å; I1379-Y1405 HydrophobicContact CD1-CE1 3.65Å; I1379-Y1405 HydrophobicContact CG1-CD1 4.03Å; I1379-Y1405 HydrophobicContact CG1-CE1 3.8Å; I1379-Y1405 HydrophobicContact CG2-CE1 3.74Å; R1401-Y1405 HydrophobicContact CG-CD2 4.16Å; R1401-Y1405 HydrophobicContact CG-CE2 3.65Å; R1401-Y1405 PolarHBondContact O-N 3.1Å; D1402-Y1405 PolarHBondContact O-N 3.24Å; Y1405-G1407 VanDerWaalsContact C-N 3.31Å; Y1405-G1407 PolarHBondContact O-N 3.45Å; Y1405-L1408 PolarHBondContact O-N 2.86Å; Y1405-E1409 WeakPolarHBondContact O-CB 3.45Å; Y1405-E1409 PolarHBondContact O-N 3.09Å; Y1405-M1424 HydrophobicContact CD1-CE 4.1Å; Y1405-M1424 WeakPolarHBondContact O-CE 3.46Å; Y1405-L1428 HydrophobicContact CD1-CD2 4.15Å; Y1405-L1428 HydrophobicContact CE1-CD2 3.77Å |
| 1406 | A | 91.4 | Very high | 90 | Very high | 40 Ų | 40 | 51.9 Ų | 51.9 | 33% | 0.331 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61 | -39.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1402 Y1410 | D1402-A1406 PolarHBondContact O-N 3.49Å; A1406-Y1410 WeakPolarHBondContact O-CB 3.4Å; A1406-Y1410 PolarHBondContact O-N 3.17Å |
| 1407 | G | 90.5 | Very high | 90 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | P1130 Q1403 V1404 Y1405 Y1410 Y1411 | P1130-G1407 VanDerWaalsContact CG-CA 3.43Å; Q1403-G1407 PolarHBondContact O-N 3.15Å; V1404-G1407 PolarHBondContact O-N 3.21Å; Y1405-G1407 VanDerWaalsContact C-N 3.31Å; Y1405-G1407 PolarHBondContact O-N 3.45Å; G1407-Y1410 PolarHBondContact O-N 3.25Å; G1407-Y1411 WeakPolarHBondContact O-CB 3.17Å; G1407-Y1411 PolarHBondContact O-N 2.78Å |
| 1408 | L | 92.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72.1 | -34.1 | 177.8 | -176.5 | 58.2 | 0 | 0 | 0 | 112.1 | E1372 C1375 I1379 V1404 Y1405 C1412 M1424 L1427 | E1372-L1408 HydrophobicContact CB-CD1 4.28Å; E1372-L1408 HydrophobicContact CG-CD1 4.07Å; C1375-L1408 HydrophobicContact CB-CB 4.03Å; C1375-L1408 HydrophobicContact CB-CD1 3.87Å; C1375-L1408 HydrophobicContact CB-CD2 3.88Å; C1375-L1408 HydrophobicContact CB-CG 4.14Å; I1379-L1408 HydrophobicContact CD1-CD2 4.06Å; V1404-L1408 WeakPolarHBondContact O-CB 3.43Å; V1404-L1408 PolarHBondContact O-N 3.34Å; Y1405-L1408 PolarHBondContact O-N 2.86Å; L1408-C1412 VanDerWaalsContact O-CB 3.31Å; L1408-C1412 WeakPolarHBondContact O-CB 3.4Å; L1408-C1412 PolarHBondContact O-N 3.35Å; L1408-C1412 PolarHBondContact O-SG 3.46Å; L1408-M1424 HydrophobicContact CB-CE 3.85Å; L1408-M1424 HydrophobicContact CB-SD 4.15Å; L1408-M1424 HydrophobicContact CD2-CE 4.03Å; L1408-M1424 HydrophobicContact CD2-SD 3.56Å; L1408-M1424 VanDerWaalsContact CD2-SD 3.56Å; L1408-M1424 HydrophobicContact CG-CE 3.99Å; L1408-M1424 HydrophobicContact CG-SD 3.59Å; L1408-M1424 VanDerWaalsContact CG-SD 3.59Å; L1408-L1427 HydrophobicContact CD1-CD1 4.31Å |
| 1409 | E | 91.5 | Very high | 89.2 | Confident | 76 Ų | 76 | 59.2 Ų | 59.2 | 36% | 0.355 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.6 | -49.8 | 170.7 | 178.5 | 169.2 | -152.8 | 0 | 0 | 111 | Y1405 Y1411 C1412 N1413 M1424 | Y1405-E1409 WeakPolarHBondContact O-CB 3.45Å; Y1405-E1409 PolarHBondContact O-N 3.09Å; E1409-Y1411 VanDerWaalsContact C-N 3.35Å; E1409-Y1411 PolarHBondContact O-N 3.48Å; E1409-C1412 PolarHBondContact O-N 3.04Å; E1409-N1413 WeakPolarHBondContact O-CB 3.47Å; E1409-N1413 PolarHBondContact O-N 3.12Å; E1409-N1413 PolarHBondContact O-ND2 3.45Å; E1409-M1424 HydrophobicContact CB-CE 4.42Å |
| 1410 | Y | 90.5 | Very high | 87.9 | Confident | 94 Ų | 94 | 58.7 Ų | 58.7 | 37% | 0.369 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -56.9 | -46.4 | 174.9 | 178.3 | -106.3 | 0 | 0 | 0 | 111.8 | P1129 L1135 A1406 G1407 N1413 Q1414 | P1129-Y1410 HydrophobicContact CB-CD2 4.15Å; P1129-Y1410 HydrophobicContact CB-CE2 4.26Å; P1129-Y1410 HydrophobicContact CB-CG 4.33Å; L1135-Y1410 HydrophobicContact CD1-CD1 4.33Å; A1406-Y1410 WeakPolarHBondContact O-CB 3.4Å; A1406-Y1410 PolarHBondContact O-N 3.17Å; G1407-Y1410 PolarHBondContact O-N 3.25Å; Y1410-N1413 PolarHBondContact O-N 2.78Å; Y1410-Q1414 HydrophobicContact CD1-CG 4.42Å; Y1410-Q1414 HydrophobicContact CD2-CG 4.05Å; Y1410-Q1414 HydrophobicContact CE1-CG 4.11Å; Y1410-Q1414 HydrophobicContact CE2-CG 3.69Å; Y1410-Q1414 HydrophobicContact CG-CG 4.39Å; Y1410-Q1414 WeakPolarHBondContact O-CB 3.45Å; Y1410-Q1414 VanDerWaalsContact O-CG 3.22Å; Y1410-Q1414 WeakPolarHBondContact O-CG 3.45Å; Y1410-Q1414 PolarHBondContact O-N 2.91Å; Y1410-Q1414 PolarHBondContact OH-NE2 3.03Å |
| 1411 | Y | 91.2 | Very high | 86.8 | Confident | 16 Ų | 16 | 63.7 Ų | 63.7 | 6% | 0.063 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 177.6 | -167.4 | -106.9 | 0 | 0 | 0 | 112.7 | L1135 R1139 D1369 V1371 E1372 G1407 E1409 N1413 Q1414 V1415 | L1135-Y1411 HydrophobicContact CD1-CD2 4.08Å; R1139-Y1411 PolarHBondContact NH2-OH 3.27Å; D1369-Y1411 HydrophobicContact CB-CE1 4.48Å; D1369-Y1411 WeakPolarHBondContact OD2-CE1 3.35Å; D1369-Y1411 PolarHBondContact OD2-OH 3.18Å; V1371-Y1411 HydrophobicContact CB-CD1 4.24Å; V1371-Y1411 HydrophobicContact CB-CE1 3.63Å; V1371-Y1411 HydrophobicContact CB-CE2 4.1Å; V1371-Y1411 HydrophobicContact CG1-CD1 4.14Å; V1371-Y1411 HydrophobicContact CG1-CD2 4.16Å; V1371-Y1411 HydrophobicContact CG1-CE1 4Å; V1371-Y1411 HydrophobicContact CG1-CE2 4.02Å; V1371-Y1411 HydrophobicContact CG1-CG 4.19Å; V1371-Y1411 HydrophobicContact CG2-CE1 4.3Å; V1371-Y1411 HydrophobicContact CG2-CE2 4.12Å; V1371-Y1411 VanDerWaalsContact CG2-OH 3.3Å; V1371-Y1411 WeakPolarHBondContact CG2-OH 3.27Å; E1372-Y1411 HydrophobicContact CG-CD1 4.01Å; E1372-Y1411 HydrophobicContact CG-CE1 4.02Å; G1407-Y1411 WeakPolarHBondContact O-CB 3.17Å; G1407-Y1411 PolarHBondContact O-N 2.78Å; E1409-Y1411 VanDerWaalsContact C-N 3.35Å; E1409-Y1411 PolarHBondContact O-N 3.48Å; Y1411-N1413 VanDerWaalsContact C-N 3.32Å; Y1411-N1413 PolarHBondContact O-N 3.13Å; Y1411-Q1414 PolarHBondContact O-N 3.34Å; Y1411-V1415 HydrophobicContact CD1-CG2 4.31Å; Y1411-V1415 HydrophobicContact CD2-CG2 3.94Å; Y1411-V1415 HydrophobicContact CE1-CG2 4.06Å; Y1411-V1415 HydrophobicContact CE2-CG2 3.67Å; Y1411-V1415 HydrophobicContact CG-CG2 4.28Å; Y1411-V1415 WeakPolarHBondContact O-CB 3.28Å; Y1411-V1415 WeakPolarHBondContact O-CG2 3.5Å; Y1411-V1415 PolarHBondContact O-N 3.49Å |
| 1412 | C | 91 | Very high | 86.3 | Confident | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.014 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 176.2 | -74 | 0 | 0 | 0 | 0 | 111.8 | L1408 E1409 W1416 M1424 | L1408-C1412 VanDerWaalsContact O-CB 3.31Å; L1408-C1412 WeakPolarHBondContact O-CB 3.4Å; L1408-C1412 PolarHBondContact O-N 3.35Å; L1408-C1412 PolarHBondContact O-SG 3.46Å; E1409-C1412 PolarHBondContact O-N 3.04Å; C1412-W1416 CarbonylContact O-C 3.37Å; C1412-W1416 VanDerWaalsContact O-CA 3.31Å; C1412-W1416 WeakPolarHBondContact O-CA 3.47Å; C1412-W1416 WeakPolarHBondContact O-CB 3.49Å; C1412-W1416 PolarHBondContact O-N 3.34Å; C1412-M1424 HydrophobicContact CB-CB 4.21Å |
| 1413 | N | 89.1 | Confident | 86.2 | Confident | 91 Ų | 91 | 61.2 Ų | 61.2 | 49% | 0.487 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -71.2 | -34.1 | -178.4 | -67.5 | -18.2 | 0 | 0 | 0 | 112.3 | E1409 Y1410 Y1411 P1417 | E1409-N1413 WeakPolarHBondContact O-CB 3.47Å; E1409-N1413 PolarHBondContact O-N 3.12Å; E1409-N1413 PolarHBondContact O-ND2 3.45Å; Y1410-N1413 PolarHBondContact O-N 2.78Å; Y1411-N1413 VanDerWaalsContact C-N 3.32Å; Y1411-N1413 PolarHBondContact O-N 3.13Å; N1413-P1417 WeakPolarHBondContact O-CA 3.25Å; N1413-P1417 WeakPolarHBondContact O-CB 3.36Å |
| 1414 | Q | 87.9 | Confident | 86.3 | Confident | 117 Ų | 117 | 59.1 Ų | 59.1 | 55% | 0.547 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -80.2 | -42 | 179.4 | -66.2 | -73.6 | 57.6 | 0 | 0 | 113.3 | Y1410 Y1411 | Y1410-Q1414 HydrophobicContact CD1-CG 4.42Å; Y1410-Q1414 HydrophobicContact CD2-CG 4.05Å; Y1410-Q1414 HydrophobicContact CE1-CG 4.11Å; Y1410-Q1414 HydrophobicContact CE2-CG 3.69Å; Y1410-Q1414 HydrophobicContact CG-CG 4.39Å; Y1410-Q1414 WeakPolarHBondContact O-CB 3.45Å; Y1410-Q1414 VanDerWaalsContact O-CG 3.22Å; Y1410-Q1414 WeakPolarHBondContact O-CG 3.45Å; Y1410-Q1414 PolarHBondContact O-N 2.91Å; Y1410-Q1414 PolarHBondContact OH-NE2 3.03Å; Y1411-Q1414 PolarHBondContact O-N 3.34Å |
| 1415 | V | 88.5 | Confident | 86.3 | Confident | 69 Ų | 69 | 60.9 Ų | 60.9 | 42% | 0.418 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -85.5 | -29.5 | -177.7 | -177.6 | 0 | 0 | 0 | 0 | 112 | Y1411 P1417 | Y1411-V1415 HydrophobicContact CD1-CG2 4.31Å; Y1411-V1415 HydrophobicContact CD2-CG2 3.94Å; Y1411-V1415 HydrophobicContact CE1-CG2 4.06Å; Y1411-V1415 HydrophobicContact CE2-CG2 3.67Å; Y1411-V1415 HydrophobicContact CG-CG2 4.28Å; Y1411-V1415 WeakPolarHBondContact O-CB 3.28Å; Y1411-V1415 WeakPolarHBondContact O-CG2 3.5Å; Y1411-V1415 PolarHBondContact O-N 3.49Å; V1415-P1417 VanDerWaalsContact C-CD 3.42Å |
| 1416 | W | 87.5 | Confident | 86.1 | Confident | 91 Ų | 91 | 62.6 Ų | 62.6 | 35% | 0.345 | 34% | 0.343 | S | S | . | . | trans | -129.8 | 46.7 | -173.8 | -55.8 | 97.5 | 0 | 0 | 0 | 114.2 | E1372 C1412 N1418 A1419 R1423 | E1372-W1416 PolarHBondContact OE1-NE1 2.64Å; C1412-W1416 CarbonylContact O-C 3.37Å; C1412-W1416 VanDerWaalsContact O-CA 3.31Å; C1412-W1416 WeakPolarHBondContact O-CA 3.47Å; C1412-W1416 WeakPolarHBondContact O-CB 3.49Å; C1412-W1416 PolarHBondContact O-N 3.34Å; W1416-N1418 PolarHBondContact O-N 3.47Å; W1416-N1418 VanDerWaalsContact O-N 3.12Å; W1416-A1419 HydrophobicContact CB-CB 3.91Å; W1416-A1419 VanDerWaalsContact O-CB 3.29Å; W1416-A1419 WeakPolarHBondContact O-CB 3.46Å; W1416-A1419 PolarHBondContact O-N 2.8Å; W1416-R1423 VanDerWaalsContact CD1-NE 3.32Å; W1416-R1423 VanDerWaalsContact NE1-NE 3.15Å | ||
| 1417 | P | 84.7 | Confident | 86.2 | Confident | 92 Ų | 92 | 60.7 Ų | 60.7 | 60% | 0.597 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -32.1 | -175.5 | 23.6 | -34.5 | 0 | 0 | 0 | 113.4 | N1413 V1415 | N1413-P1417 WeakPolarHBondContact O-CA 3.25Å; N1413-P1417 WeakPolarHBondContact O-CB 3.36Å; V1415-P1417 VanDerWaalsContact C-CD 3.42Å |
| 1418 | N | 83 | Confident | 86.3 | Confident | 158 Ų | 158 | 62.7 Ų | 62.7 | 85% | 0.845 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 9.9 | -179.2 | -64.4 | -25.4 | 0 | 0 | 0 | 113.7 | W1416 P1420 | W1416-N1418 PolarHBondContact O-N 3.47Å; W1416-N1418 VanDerWaalsContact O-N 3.12Å; N1418-P1420 WeakPolarHBondContact O-CD 3.41Å |
| 1419 | A | 78.5 | Confident | 86.3 | Confident | 32 Ų | 32 | 67.8 Ų | 67.8 | 26% | 0.264 | 36% | 0.364 | S | S | . | . | trans | -73.9 | 117.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | W1416 H1421 R1423 | W1416-A1419 HydrophobicContact CB-CB 3.91Å; W1416-A1419 VanDerWaalsContact O-CB 3.29Å; W1416-A1419 WeakPolarHBondContact O-CB 3.46Å; W1416-A1419 PolarHBondContact O-N 2.8Å; A1419-H1421 PolarHBondContact O-N 3.08Å; A1419-R1423 HydrophobicContact CB-CB 4.16Å | ||
| 1420 | P | 60.8 | Low | 86.3 | Confident | 87 Ų | 87 | 65.6 Ų | 65.6 | 57% | 0.565 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 132.7 | -176.1 | 28.5 | -35.3 | 0 | 0 | 0 | 111.5 | N1418 | N1418-P1420 WeakPolarHBondContact O-CD 3.41Š|
| 1421 | H | 66 | Low | 86.4 | Confident | 105 Ų | 105 | 62 Ų | 62 | 49% | 0.486 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 45.6 | 177.5 | -36.3 | -79.4 | 0 | 0 | 0 | 115.6 | Y114 A1419 R1426 | Y114-H1421 AromaticContact CE2-CE1 3.34Å; Y114-H1421 WeakPolarHBondContact CE2-CE1 3.45Å; Y114-H1421 AromaticContact CE2-NE2 3.51Å; Y114-H1421 AromaticContact CZ-CE1 3.67Å; Y114-H1421 AromaticContact CZ-NE2 3.75Å; Y114-H1421 PolarHBondContact OH-CE1 3.16Å; A1419-H1421 PolarHBondContact O-N 3.08Å; H1421-R1426 PolarHBondContact CD2-NH2 2.85Å; H1421-R1426 PolarHBondContact O-NE 3.28Å |
| 1422 | G | 80.5 | Confident | 86.5 | Confident | 46 Ų | 46 | 63.8 Ų | 63.8 | 47% | 0.474 | 36% | 0.355 | S | S | . | . | trans | 65.4 | 81.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | M1424 G1425 R1426 | G1422-M1424 VanDerWaalsContact C-N 3.33Å; G1422-M1424 PolarHBondContact O-N 3.29Å; G1422-G1425 PolarHBondContact O-N 3.49Å; G1422-R1426 PolarHBondContact O-N 3.13Å | ||
| 1423 | R | 90.3 | Very high | 86.5 | Confident | 28 Ų | 28 | 66.4 Ų | 66.4 | 11% | 0.106 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -51.6 | -46.6 | -175.1 | -172 | 172.7 | 174.3 | 96.5 | 3.3 | 113.2 | L1366 N1367 E1372 W1416 A1419 G1425 R1426 L1427 | L1366-R1423 PolarHBondContact O-NH1 3.46Å; L1366-R1423 PolarHBondContact O-NH2 3.47Å; L1366-R1423 VanDerWaalsContact O-NH2 3.17Å; N1367-R1423 PolarHBondContact O-NH2 3.25Å; E1372-R1423 IonicContact OE1-CZ 3.37Å; E1372-R1423 IonicContact OE1-NE 2.72Å; E1372-R1423 PolarHBondContact OE1-NE 3.08Å; E1372-R1423 IonicContact OE1-NH2 3.2Å; E1372-R1423 PolarHBondContact OE1-NH2 3.05Å; E1372-R1423 IonicContact OE2-CZ 3.57Å; E1372-R1423 IonicContact OE2-NE 3.6Å; E1372-R1423 IonicContact OE2-NH2 2.69Å; E1372-R1423 PolarHBondContact OE2-NH2 2.61Å; W1416-R1423 VanDerWaalsContact CD1-NE 3.32Å; W1416-R1423 VanDerWaalsContact NE1-NE 3.15Å; A1419-R1423 HydrophobicContact CB-CB 4.16Å; R1423-G1425 PolarHBondContact O-N 3.32Å; R1423-R1426 WeakPolarHBondContact O-CB 3.5Å; R1423-R1426 PolarHBondContact O-N 3.29Å; R1423-L1427 HydrophobicContact CG-CD1 4.38Å; R1423-L1427 HydrophobicContact CG-CG 4.47Å; R1423-L1427 WeakPolarHBondContact O-CG 3.43Å; R1423-L1427 PolarHBondContact O-N 3.29Å |
| 1424 | M | 92 | Very high | 86.7 | Confident | 28 Ų | 28 | 62.1 Ų | 62.1 | 14% | 0.138 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -50.2 | -49.9 | 175.1 | 174.1 | 49.9 | 151.6 | 0 | 0 | 112.6 | Y1405 L1408 E1409 C1412 G1422 R1426 L1427 L1428 | Y1405-M1424 HydrophobicContact CD1-CE 4.1Å; Y1405-M1424 WeakPolarHBondContact O-CE 3.46Å; L1408-M1424 HydrophobicContact CB-CE 3.85Å; L1408-M1424 HydrophobicContact CB-SD 4.15Å; L1408-M1424 HydrophobicContact CD2-CE 4.03Å; L1408-M1424 HydrophobicContact CD2-SD 3.56Å; L1408-M1424 VanDerWaalsContact CD2-SD 3.56Å; L1408-M1424 HydrophobicContact CG-CE 3.99Å; L1408-M1424 HydrophobicContact CG-SD 3.59Å; L1408-M1424 VanDerWaalsContact CG-SD 3.59Å; E1409-M1424 HydrophobicContact CB-CE 4.42Å; C1412-M1424 HydrophobicContact CB-CB 4.21Å; G1422-M1424 VanDerWaalsContact C-N 3.33Å; G1422-M1424 PolarHBondContact O-N 3.29Å; M1424-R1426 VanDerWaalsContact C-N 3.35Å; M1424-R1426 PolarHBondContact O-N 3.02Å; M1424-L1427 WeakPolarHBondContact O-CB 3.49Å; M1424-L1427 PolarHBondContact O-N 3.21Å; M1424-L1427 VanDerWaalsContact O-N 3.16Å; M1424-L1428 HydrophobicContact CE-CD1 3.97Å; M1424-L1428 HydrophobicContact CE-CD2 4.33Å; M1424-L1428 HydrophobicContact CE-CG 4.32Å; M1424-L1428 HydrophobicContact CG-CD1 4.31Å; M1424-L1428 WeakPolarHBondContact O-CG 3.48Å; M1424-L1428 PolarHBondContact O-N 3.16Å; M1424-L1428 HydrophobicContact SD-CD1 3.88Å; M1424-L1428 HydrophobicContact SD-CD2 4.14Å; M1424-L1428 HydrophobicContact SD-CG 3.79Å |
| 1425 | G | 91.7 | Very high | 86.9 | Confident | 38 Ų | 38 | 60.3 Ų | 60.3 | 39% | 0.392 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61 | -40.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | G1422 R1423 L1427 L1428 L1429 | G1422-G1425 PolarHBondContact O-N 3.49Å; R1423-G1425 PolarHBondContact O-N 3.32Å; G1425-L1427 VanDerWaalsContact C-N 3.29Å; G1425-L1427 PolarHBondContact O-N 2.96Å; G1425-L1428 PolarHBondContact O-N 2.97Å; G1425-L1429 WeakPolarHBondContact O-CB 3.32Å; G1425-L1429 VanDerWaalsContact O-CG 3.29Å; G1425-L1429 WeakPolarHBondContact O-CG 3.31Å; G1425-L1429 PolarHBondContact O-N 3.03Å |
| 1426 | R | 90.1 | Very high | 87 | Confident | 103 Ų | 103 | 60.1 Ų | 60.1 | 39% | 0.389 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.7 | -31 | 176.5 | -66.6 | 179.2 | 167.8 | -155.3 | -10.1 | 113.2 | L1366 H1421 G1422 R1423 M1424 | L1366-R1426 HydrophobicContact CD2-CB 4.21Å; H1421-R1426 PolarHBondContact CD2-NH2 2.85Å; H1421-R1426 PolarHBondContact O-NE 3.28Å; G1422-R1426 PolarHBondContact O-N 3.13Å; R1423-R1426 WeakPolarHBondContact O-CB 3.5Å; R1423-R1426 PolarHBondContact O-N 3.29Å; M1424-R1426 VanDerWaalsContact C-N 3.35Å; M1424-R1426 PolarHBondContact O-N 3.02Å |
| 1427 | L | 92.1 | Very high | 87.2 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.9 | -50.8 | 173.9 | -65 | 176.7 | 0 | 0 | 0 | 111.2 | L1366 L1368 E1372 L1376 L1408 R1423 M1424 G1425 L1429 K1430 | L1366-L1427 HydrophobicContact CD1-CD2 4.35Å; L1368-L1427 HydrophobicContact CD1-CD2 3.38Å; E1372-L1427 HydrophobicContact CB-CD1 4.09Å; E1372-L1427 HydrophobicContact CG-CD1 4.04Å; L1376-L1427 HydrophobicContact CD1-CB 4.42Å; L1376-L1427 HydrophobicContact CD1-CD2 4.44Å; L1376-L1427 HydrophobicContact CD2-CB 4.29Å; L1408-L1427 HydrophobicContact CD1-CD1 4.31Å; R1423-L1427 HydrophobicContact CG-CD1 4.38Å; R1423-L1427 HydrophobicContact CG-CG 4.47Å; R1423-L1427 WeakPolarHBondContact O-CG 3.43Å; R1423-L1427 PolarHBondContact O-N 3.29Å; M1424-L1427 WeakPolarHBondContact O-CB 3.49Å; M1424-L1427 PolarHBondContact O-N 3.21Å; M1424-L1427 VanDerWaalsContact O-N 3.16Å; G1425-L1427 VanDerWaalsContact C-N 3.29Å; G1425-L1427 PolarHBondContact O-N 2.96Å; L1427-L1429 VanDerWaalsContact C-N 3.27Å; L1427-L1429 PolarHBondContact O-N 3.01Å; L1427-K1430 WeakPolarHBondContact O-CB 3.29Å; L1427-K1430 PolarHBondContact O-N 3.25Å |
| 1428 | L | 93.7 | Very high | 87.5 | Confident | 43 Ų | 43 | 51.5 Ų | 51.5 | 23% | 0.225 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60 | -35.4 | 179.7 | -64.9 | -179.4 | 0 | 0 | 0 | 112.5 | I1379 Y1405 M1424 G1425 K1430 L1431 | I1379-L1428 HydrophobicContact CD1-CD2 4.05Å; Y1405-L1428 HydrophobicContact CD1-CD2 4.15Å; Y1405-L1428 HydrophobicContact CE1-CD2 3.77Å; M1424-L1428 HydrophobicContact CE-CD1 3.97Å; M1424-L1428 HydrophobicContact CE-CD2 4.33Å; M1424-L1428 HydrophobicContact CE-CG 4.32Å; M1424-L1428 HydrophobicContact CG-CD1 4.31Å; M1424-L1428 WeakPolarHBondContact O-CG 3.48Å; M1424-L1428 PolarHBondContact O-N 3.16Å; M1424-L1428 HydrophobicContact SD-CD1 3.88Å; M1424-L1428 HydrophobicContact SD-CD2 4.14Å; M1424-L1428 HydrophobicContact SD-CG 3.79Å; G1425-L1428 PolarHBondContact O-N 2.97Å; L1428-K1430 PolarHBondContact O-N 2.95Å; L1428-L1431 HydrophobicContact CB-CD1 4.36Å; L1428-L1431 HydrophobicContact CD2-CD1 3.69Å; L1428-L1431 VanDerWaalsContact O-CB 3.3Å; L1428-L1431 WeakPolarHBondContact O-CB 3.46Å; L1428-L1431 WeakPolarHBondContact O-CG 3.28Å; L1428-L1431 PolarHBondContact O-N 2.97Å |
| 1429 | L | 92.2 | Very high | 87.8 | Confident | 106 Ų | 106 | 45.8 Ų | 45.8 | 56% | 0.555 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -7.2 | 174 | -75 | 172.6 | 0 | 0 | 0 | 114.6 | G1425 L1427 S1432 N1433 | G1425-L1429 WeakPolarHBondContact O-CB 3.32Å; G1425-L1429 VanDerWaalsContact O-CG 3.29Å; G1425-L1429 WeakPolarHBondContact O-CG 3.31Å; G1425-L1429 PolarHBondContact O-N 3.03Å; L1427-L1429 VanDerWaalsContact C-N 3.27Å; L1427-L1429 PolarHBondContact O-N 3.01Å; L1429-S1432 PolarHBondContact O-OG 2.98Å; L1429-N1433 PolarHBondContact O-ND2 3.11Å; L1429-N1433 VanDerWaalsContact O-ND2 3.1Å |
| 1430 | K | 90.9 | Very high | 88.3 | Confident | 30 Ų | 30 | 51.8 Ų | 51.8 | 13% | 0.13 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -16.5 | 171.9 | -51 | -48.8 | 171.4 | -159.4 | 0 | 113.2 | L1366 L1427 L1428 S1432 N1433 F1434 | L1366-K1430 HydrophobicContact CD1-CG 4.22Å; L1427-K1430 WeakPolarHBondContact O-CB 3.29Å; L1427-K1430 PolarHBondContact O-N 3.25Å; L1428-K1430 PolarHBondContact O-N 2.95Å; K1430-S1432 PolarHBondContact O-N 2.92Å; K1430-N1433 WeakPolarHBondContact O-CB 3.21Å; K1430-N1433 PolarHBondContact O-N 3.43Å; K1430-F1434 HydrophobicContact CB-CD2 4.42Å; K1430-F1434 HydrophobicContact CB-CE2 3.82Å; K1430-F1434 HydrophobicContact CB-CZ 4.41Å; K1430-F1434 WeakPolarHBondContact O-CD2 3.41Å; K1430-F1434 PolarHBondContact O-N 3.43Å; K1430-F1434 VanDerWaalsContact O-N 3.12Å |
| 1431 | L | 92.9 | Very high | 89.6 | Confident | 18 Ų | 18 | 47.8 Ų | 47.8 | 9% | 0.094 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58 | -44.4 | 178.9 | -63.9 | 171.6 | 0 | 0 | 0 | 112.4 | L1376 I1379 L1380 L1428 N1433 F1434 Q1435 | L1376-L1431 HydrophobicContact CD2-CD2 3.78Å; L1376-L1431 HydrophobicContact CD2-CG 4.13Å; I1379-L1431 HydrophobicContact CG2-CD1 3.83Å; I1379-L1431 HydrophobicContact CG2-CD2 4.46Å; L1380-L1431 HydrophobicContact CD1-CD2 4.12Å; L1380-L1431 HydrophobicContact CD2-CD2 3.74Å; L1380-L1431 HydrophobicContact CG-CD2 3.73Å; L1428-L1431 HydrophobicContact CB-CD1 4.36Å; L1428-L1431 HydrophobicContact CD2-CD1 3.69Å; L1428-L1431 VanDerWaalsContact O-CB 3.3Å; L1428-L1431 WeakPolarHBondContact O-CB 3.46Å; L1428-L1431 WeakPolarHBondContact O-CG 3.28Å; L1428-L1431 PolarHBondContact O-N 2.97Å; L1431-N1433 VanDerWaalsContact C-N 3.28Å; L1431-N1433 PolarHBondContact O-N 3.25Å; L1431-F1434 PolarHBondContact O-N 3.42Å; L1431-Q1435 WeakPolarHBondContact O-CG 3.43Å; L1431-Q1435 PolarHBondContact O-N 3.12Å |
| 1432 | S | 92.4 | Very high | 90.7 | Very high | 55 Ų | 55 | 46.2 Ų | 46.2 | 39% | 0.385 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.7 | -33.7 | 175.6 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | L1429 K1430 S1436 | L1429-S1432 PolarHBondContact O-OG 2.98Å; K1430-S1432 PolarHBondContact O-N 2.92Å; S1432-S1436 WeakPolarHBondContact O-CB 3.36Å; S1432-S1436 PolarHBondContact O-N 3Å |
| 1433 | N | 91.6 | Very high | 91 | Very high | 56 Ų | 56 | 52.3 Ų | 52.3 | 30% | 0.299 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -69.6 | -43.2 | 177.3 | -69.1 | -107.3 | 0 | 0 | 0 | 110.3 | L1359 L1429 K1430 L1431 S1436 V1437 | L1359-N1433 HydrophobicContact CD1-CB 3.64Å; L1359-N1433 HydrophobicContact CD2-CB 3.96Å; L1359-N1433 HydrophobicContact CG-CB 4.49Å; L1429-N1433 PolarHBondContact O-ND2 3.11Å; L1429-N1433 VanDerWaalsContact O-ND2 3.1Å; K1430-N1433 WeakPolarHBondContact O-CB 3.21Å; K1430-N1433 PolarHBondContact O-N 3.43Å; L1431-N1433 VanDerWaalsContact C-N 3.28Å; L1431-N1433 PolarHBondContact O-N 3.25Å; N1433-S1436 PolarHBondContact O-N 2.89Å; N1433-V1437 VanDerWaalsContact O-CG2 3.28Å; N1433-V1437 WeakPolarHBondContact O-CG2 3.29Å; N1433-V1437 PolarHBondContact O-N 3.37Å |
| 1434 | F | 92.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 175.1 | -61.4 | -57.8 | 0 | 0 | 0 | 112.3 | I1227 V1228 V1231 L1359 L1363 K1430 L1431 V1437 A1438 | I1227-F1434 HydrophobicContact CG2-CD1 4.3Å; V1228-F1434 HydrophobicContact CG2-CB 4.02Å; V1228-F1434 HydrophobicContact CG2-CD1 3.55Å; V1228-F1434 HydrophobicContact CG2-CD2 3.62Å; V1228-F1434 HydrophobicContact CG2-CE1 3.81Å; V1228-F1434 HydrophobicContact CG2-CE2 3.89Å; V1228-F1434 HydrophobicContact CG2-CG 3.46Å; V1228-F1434 VanDerWaalsContact CG2-CG 3.46Å; V1228-F1434 HydrophobicContact CG2-CZ 3.99Å; V1231-F1434 HydrophobicContact CB-CE1 4.02Å; V1231-F1434 HydrophobicContact CG1-CE1 3.94Å; V1231-F1434 HydrophobicContact CG2-CE1 4.25Å; L1359-F1434 HydrophobicContact CD2-CD1 3.64Å; L1359-F1434 HydrophobicContact CD2-CE1 3.72Å; L1359-F1434 HydrophobicContact CG-CE1 4.26Å; L1363-F1434 HydrophobicContact CD2-CZ 4.43Å; K1430-F1434 HydrophobicContact CB-CD2 4.42Å; K1430-F1434 HydrophobicContact CB-CE2 3.82Å; K1430-F1434 HydrophobicContact CB-CZ 4.41Å; K1430-F1434 WeakPolarHBondContact O-CD2 3.41Å; K1430-F1434 PolarHBondContact O-N 3.43Å; K1430-F1434 VanDerWaalsContact O-N 3.12Å; L1431-F1434 PolarHBondContact O-N 3.42Å; F1434-V1437 PolarHBondContact O-N 3.41Å; F1434-A1438 WeakPolarHBondContact O-CB 3.48Å; F1434-A1438 PolarHBondContact O-N 3.3Å |
| 1435 | Q | 92.4 | Very high | 90.4 | Very high | 79 Ų | 79 | 53 Ų | 53 | 37% | 0.369 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 176.4 | -72.1 | 170 | -20.6 | 0 | 0 | 112.4 | L1380 L1431 A1438 A1439 | L1380-Q1435 HydrophobicContact CD2-CG 4.32Å; L1431-Q1435 WeakPolarHBondContact O-CG 3.43Å; L1431-Q1435 PolarHBondContact O-N 3.12Å; Q1435-A1438 PolarHBondContact O-N 3.35Å; Q1435-A1439 WeakPolarHBondContact O-CB 3.48Å; Q1435-A1439 PolarHBondContact O-N 2.88Å |
| 1436 | S | 90.9 | Very high | 89.9 | Confident | 65 Ų | 65 | 53.8 Ų | 53.8 | 46% | 0.455 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 176.7 | -177.5 | 0 | 0 | 0 | 0 | 112.2 | S1432 N1433 R1440 | S1432-S1436 WeakPolarHBondContact O-CB 3.36Å; S1432-S1436 PolarHBondContact O-N 3Å; N1433-S1436 PolarHBondContact O-N 2.89Å; S1436-R1440 WeakPolarHBondContact O-CB 3.41Å; S1436-R1440 PolarHBondContact O-N 3.5Å |
| 1437 | V | 90.9 | Very high | 89.6 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 175 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | I1227 L1355 I1356 L1359 N1433 F1434 R1440 I1441 | I1227-V1437 HydrophobicContact CD1-CG1 4.19Å; I1227-V1437 HydrophobicContact CG2-CB 4.36Å; I1227-V1437 HydrophobicContact CG2-CG1 3.86Å; L1355-V1437 HydrophobicContact CD2-CG2 3.76Å; L1355-V1437 HydrophobicContact CG-CG2 3.86Å; I1356-V1437 HydrophobicContact CD1-CG1 4.49Å; I1356-V1437 HydrophobicContact CG1-CG1 3.83Å; L1359-V1437 HydrophobicContact CD2-CG2 4.31Å; N1433-V1437 VanDerWaalsContact O-CG2 3.28Å; N1433-V1437 WeakPolarHBondContact O-CG2 3.29Å; N1433-V1437 PolarHBondContact O-N 3.37Å; F1434-V1437 PolarHBondContact O-N 3.41Å; V1437-R1440 WeakPolarHBondContact O-CB 3.36Å; V1437-R1440 PolarHBondContact O-N 3.31Å; V1437-I1441 HydrophobicContact CG1-CD1 3.79Å; V1437-I1441 WeakPolarHBondContact O-CG1 3.4Å; V1437-I1441 PolarHBondContact O-N 3.26Å |
| 1438 | A | 91.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.4 | -53 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1223 Q1224 I1227 F1434 Q1435 R1440 I1441 E1442 | M1223-A1438 HydrophobicContact CB-CB 4.34Å; Q1224-A1438 HydrophobicContact CG-CB 3.58Å; I1227-A1438 VanDerWaalsContact CD1-CA 3.43Å; I1227-A1438 HydrophobicContact CD1-CB 3.66Å; F1434-A1438 WeakPolarHBondContact O-CB 3.48Å; F1434-A1438 PolarHBondContact O-N 3.3Å; Q1435-A1438 PolarHBondContact O-N 3.35Å; A1438-R1440 PolarHBondContact O-N 3.01Å; A1438-R1440 VanDerWaalsContact O-N 3.13Å; A1438-I1441 PolarHBondContact O-N 3.06Å; A1438-E1442 WeakPolarHBondContact O-CB 3.49Å; A1438-E1442 WeakPolarHBondContact O-CG 3.02Å; A1438-E1442 PolarHBondContact O-N 2.77Å |
| 1439 | A | 89.8 | Confident | 88.7 | Confident | 38 Ų | 38 | 57.6 Ų | 57.6 | 31% | 0.314 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66 | -15.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q1435 K1443 | Q1435-A1439 WeakPolarHBondContact O-CB 3.48Å; Q1435-A1439 PolarHBondContact O-N 2.88Å; A1439-K1443 WeakPolarHBondContact O-CD 3.48Å; A1439-K1443 WeakPolarHBondContact O-CE 3.46Å; A1439-K1443 VanDerWaalsContact O-CG 3.28Å; A1439-K1443 WeakPolarHBondContact O-CG 3.19Å |
| 1440 | R | 89 | Confident | 88.4 | Confident | 157 Ų | 157 | 54.7 Ų | 54.7 | 59% | 0.592 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -81.6 | -38 | 170.5 | -168.3 | 72.3 | 178.2 | -148.7 | 2.1 | 111.7 | V1352 S1436 V1437 A1438 | V1352-R1440 HydrophobicContact CG2-CG 3.83Å; S1436-R1440 WeakPolarHBondContact O-CB 3.41Å; S1436-R1440 PolarHBondContact O-N 3.5Å; V1437-R1440 WeakPolarHBondContact O-CB 3.36Å; V1437-R1440 PolarHBondContact O-N 3.31Å; A1438-R1440 PolarHBondContact O-N 3.01Å; A1438-R1440 VanDerWaalsContact O-N 3.13Å |
| 1441 | I | 88.3 | Confident | 88.2 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -73.9 | -45.2 | 177.3 | -69.9 | 161.4 | 0 | 0 | 0 | 111 | M1223 I1227 L1313 T1317 V1352 I1356 V1437 A1438 K1443 L1444 I1445 | M1223-I1441 HydrophobicContact CE-CB 4.41Å; M1223-I1441 HydrophobicContact CE-CG2 3.51Å; I1227-I1441 HydrophobicContact CD1-CD1 3.67Å; I1227-I1441 HydrophobicContact CG1-CD1 3.99Å; L1313-I1441 HydrophobicContact CD2-CG2 4.18Å; T1317-I1441 HydrophobicContact CG2-CG2 4.38Å; V1352-I1441 HydrophobicContact CG1-CD1 4.03Å; V1352-I1441 HydrophobicContact CG1-CG1 3.53Å; I1356-I1441 HydrophobicContact CD1-CD1 4.24Å; V1437-I1441 HydrophobicContact CG1-CD1 3.79Å; V1437-I1441 WeakPolarHBondContact O-CG1 3.4Å; V1437-I1441 PolarHBondContact O-N 3.26Å; A1438-I1441 PolarHBondContact O-N 3.06Å; I1441-K1443 PolarHBondContact O-N 3.02Å; I1441-L1444 WeakPolarHBondContact O-CA 3.4Å; I1441-L1444 WeakPolarHBondContact O-CB 3.36Å; I1441-L1444 PolarHBondContact O-N 3.46Å; I1441-I1445 HydrophobicContact CG2-CD1 3.69Å; I1441-I1445 HydrophobicContact CG2-CG1 4.03Å; I1441-I1445 WeakPolarHBondContact O-CG1 3.48Å; I1441-I1445 PolarHBondContact O-N 3.44Å; I1441-I1445 VanDerWaalsContact O-N 3.13Å |
| 1442 | E | 88.3 | Confident | 87.9 | Confident | 71 Ų | 71 | 60.8 Ų | 60.8 | 33% | 0.332 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -22.1 | 178.9 | -71.7 | 160.5 | -172.9 | 0 | 0 | 113 | M1223 A1438 | M1223-E1442 HydrophobicContact CB-CG 4.42Å; M1223-E1442 VanDerWaalsContact CB-OE1 3.28Å; M1223-E1442 WeakPolarHBondContact CB-OE1 3.41Å; M1223-E1442 HydrophobicContact CG-CG 3.96Å; M1223-E1442 WeakPolarHBondContact CG-OE1 3.38Å; A1438-E1442 WeakPolarHBondContact O-CB 3.49Å; A1438-E1442 WeakPolarHBondContact O-CG 3.02Å; A1438-E1442 PolarHBondContact O-N 2.77Å |
| 1443 | K | 86.7 | Confident | 87.7 | Confident | 175 Ų | 175 | 58.5 Ų | 58.5 | 76% | 0.761 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -5.9 | 173.7 | -69.2 | 173.8 | -172.2 | 172 | 0 | 114.6 | A1439 I1441 | A1439-K1443 WeakPolarHBondContact O-CD 3.48Å; A1439-K1443 WeakPolarHBondContact O-CE 3.46Å; A1439-K1443 VanDerWaalsContact O-CG 3.28Å; A1439-K1443 WeakPolarHBondContact O-CG 3.19Å; I1441-K1443 PolarHBondContact O-N 3.02Å |
| 1444 | L | 83.4 | Confident | 87.7 | Confident | 59 Ų | 59 | 57.7 Ų | 57.7 | 31% | 0.309 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -28.5 | 175.5 | -63.7 | 173.1 | 0 | 0 | 0 | 112.1 | T1317 R1348 V1352 I1441 | T1317-L1444 HydrophobicContact CG2-CB 4.19Å; R1348-L1444 HydrophobicContact CB-CD2 4.42Å; V1352-L1444 HydrophobicContact CG2-CD1 3.77Å; I1441-L1444 WeakPolarHBondContact O-CA 3.4Å; I1441-L1444 WeakPolarHBondContact O-CB 3.36Å; I1441-L1444 PolarHBondContact O-N 3.46Å |
| 1445 | I | 86.1 | Confident | 87.4 | Confident | 12 Ų | 12 | 61.7 Ų | 61.7 | 6% | 0.062 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -71.2 | 136.9 | 175.9 | -56.4 | 175.9 | 0 | 0 | 0 | 109.7 | M1223 L1316 T1317 I1441 E1449 L1450 | M1223-I1445 HydrophobicContact CE-CD1 3.52Å; M1223-I1445 HydrophobicContact SD-CD1 4.2Å; L1316-I1445 HydrophobicContact CB-CD1 3.98Å; L1316-I1445 HydrophobicContact CB-CG1 4.04Å; L1316-I1445 HydrophobicContact CB-CG2 4.35Å; L1316-I1445 HydrophobicContact CD1-CD1 4.23Å; L1316-I1445 HydrophobicContact CD2-CG2 4.49Å; L1316-I1445 WeakPolarHBondContact O-CG1 3.47Å; T1317-I1445 HydrophobicContact CG2-CG1 4.01Å; I1441-I1445 HydrophobicContact CG2-CD1 3.69Å; I1441-I1445 HydrophobicContact CG2-CG1 4.03Å; I1441-I1445 WeakPolarHBondContact O-CG1 3.48Å; I1441-I1445 PolarHBondContact O-N 3.44Å; I1441-I1445 VanDerWaalsContact O-N 3.13Å; I1445-E1449 HydrophobicContact CG2-CB 3.84Å; I1445-L1450 HydrophobicContact CG2-CB 3.99Å |
| 1446 | C | 81.4 | Confident | 87.2 | Confident | 53 Ų | 53 | 60.9 Ų | 60.9 | 36% | 0.358 | 32% | 0.321 | S | S | . | . | trans | -68.3 | 140.7 | 172.1 | -178 | 0 | 0 | 0 | 0 | 110.9 | N1448 E1449 L1450 | C1446-N1448 PolarHBondContact O-N 3.42Å; C1446-N1448 VanDerWaalsContact O-N 3.09Å; C1446-E1449 HydrophobicContact CB-CB 4.45Å; C1446-E1449 HydrophobicContact CB-CG 4.07Å; C1446-E1449 VanDerWaalsContact CB-OE2 3.26Å; C1446-E1449 WeakPolarHBondContact CB-OE2 3.46Å; C1446-E1449 PolarHBondContact N-OE2 3.03Å; C1446-E1449 WeakPolarHBondContact O-CA 3.33Å; C1446-E1449 WeakPolarHBondContact O-CB 3.36Å; C1446-E1449 PolarHBondContact O-N 3.23Å; C1446-L1450 PolarHBondContact O-N 3.08Å | ||
| 1447 | S | 83.5 | Confident | 87.2 | Confident | 81 Ų | 81 | 57.8 Ų | 57.8 | 57% | 0.566 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -56.1 | -32.5 | -178.7 | 57.2 | 0 | 0 | 0 | 0 | 113.2 | N1451 | S1447-N1451 VanDerWaalsContact O-CB 3.31Å; S1447-N1451 WeakPolarHBondContact O-CB 3.31Å; S1447-N1451 PolarHBondContact O-N 3.39Å; S1447-N1451 PolarHBondContact O-ND2 2.87Å |
| 1448 | N | 82.8 | Confident | 87.1 | Confident | 107 Ų | 107 | 61.4 Ų | 61.4 | 57% | 0.572 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64.9 | -38.8 | 173.1 | -70.8 | -21.7 | 0 | 0 | 0 | 112.9 | C1446 N1452 | C1446-N1448 PolarHBondContact O-N 3.42Å; C1446-N1448 VanDerWaalsContact O-N 3.09Å; N1448-N1452 WeakPolarHBondContact O-CB 3.46Å; N1448-N1452 PolarHBondContact O-N 3.39Å; N1448-N1452 PolarHBondContact O-ND2 3.26Å |
| 1449 | E | 84.8 | Confident | 86.8 | Confident | 40 Ų | 40 | 64.6 Ų | 64.6 | 19% | 0.187 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -74.8 | -38.8 | 179.7 | -62.8 | 176.9 | 122.4 | 0 | 0 | 111.6 | L1316 I1445 C1446 N1452 L1453 | L1316-E1449 HydrophobicContact CD2-CB 4.27Å; I1445-E1449 HydrophobicContact CG2-CB 3.84Å; C1446-E1449 HydrophobicContact CB-CB 4.45Å; C1446-E1449 HydrophobicContact CB-CG 4.07Å; C1446-E1449 VanDerWaalsContact CB-OE2 3.26Å; C1446-E1449 WeakPolarHBondContact CB-OE2 3.46Å; C1446-E1449 PolarHBondContact N-OE2 3.03Å; C1446-E1449 WeakPolarHBondContact O-CA 3.33Å; C1446-E1449 WeakPolarHBondContact O-CB 3.36Å; C1446-E1449 PolarHBondContact O-N 3.23Å; E1449-N1452 PolarHBondContact O-N 2.76Å; E1449-L1453 WeakPolarHBondContact O-CB 3.33Å; E1449-L1453 PolarHBondContact O-N 2.99Å |
| 1450 | L | 86.4 | Confident | 86.6 | Confident | 44 Ų | 44 | 63 Ų | 63 | 23% | 0.23 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62 | -43.7 | 171.5 | -173.8 | 63.4 | 0 | 0 | 0 | 111 | I1445 C1446 L1453 L1454 | I1445-L1450 HydrophobicContact CG2-CB 3.99Å; C1446-L1450 PolarHBondContact O-N 3.08Å; L1450-L1453 WeakPolarHBondContact O-CB 3.48Å; L1450-L1453 PolarHBondContact O-N 3.41Å; L1450-L1454 HydrophobicContact CG-CD1 4.38Å; L1450-L1454 WeakPolarHBondContact O-CG 3.39Å; L1450-L1454 PolarHBondContact O-N 3.07Å |
| 1451 | N | 86.8 | Confident | 86.6 | Confident | 82 Ų | 82 | 55.9 Ų | 55.9 | 44% | 0.439 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 173 | -76.5 | -35.1 | 0 | 0 | 0 | 111.8 | S1447 L1453 L1454 N1455 | S1447-N1451 VanDerWaalsContact O-CB 3.31Å; S1447-N1451 WeakPolarHBondContact O-CB 3.31Å; S1447-N1451 PolarHBondContact O-N 3.39Å; S1447-N1451 PolarHBondContact O-ND2 2.87Å; N1451-L1453 VanDerWaalsContact C-N 3.33Å; N1451-L1453 PolarHBondContact O-N 3.23Å; N1451-L1454 PolarHBondContact O-N 3.29Å; N1451-N1455 VanDerWaalsContact O-CB 3.32Å; N1451-N1455 WeakPolarHBondContact O-CB 3.45Å; N1451-N1455 PolarHBondContact O-N 3.44Å; N1451-N1455 PolarHBondContact O-ND2 3.03Å |
| 1452 | N | 86.3 | Confident | 86.5 | Confident | 94 Ų | 94 | 57.9 Ų | 57.9 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.7 | -38.9 | 174.6 | -72.9 | -23 | 0 | 0 | 0 | 112.2 | N1448 E1449 N1456 | N1448-N1452 WeakPolarHBondContact O-CB 3.46Å; N1448-N1452 PolarHBondContact O-N 3.39Å; N1448-N1452 PolarHBondContact O-ND2 3.26Å; E1449-N1452 PolarHBondContact O-N 2.76Å; N1452-N1456 WeakPolarHBondContact O-CB 3.49Å; N1452-N1456 VanDerWaalsContact O-CG 3.28Å; N1452-N1456 PolarHBondContact O-N 3.41Å; N1452-N1456 PolarHBondContact O-ND2 3.08Å |
| 1453 | L | 88.5 | Confident | 86 | Confident | 7 Ų | 7 | 56.4 Ų | 56.4 | 4% | 0.037 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 174.5 | -172.1 | 72.1 | 0 | 0 | 0 | 111.8 | L1193 M1223 L1312 L1316 E1449 L1450 N1451 N1456 L1457 | L1193-L1453 HydrophobicContact CD1-CD1 3.99Å; L1193-L1453 HydrophobicContact CD2-CD1 4.06Å; L1193-L1453 HydrophobicContact CD2-CG 4.43Å; L1193-L1453 HydrophobicContact CG-CD1 4.38Å; M1223-L1453 HydrophobicContact SD-CD2 3.68Å; L1312-L1453 HydrophobicContact CD1-CD1 3.89Å; L1312-L1453 HydrophobicContact CD2-CD1 4.27Å; L1316-L1453 HydrophobicContact CD1-CD1 4.06Å; L1316-L1453 HydrophobicContact CD1-CD2 3.85Å; L1316-L1453 HydrophobicContact CD2-CB 4.41Å; L1316-L1453 HydrophobicContact CD2-CD1 4.42Å; E1449-L1453 WeakPolarHBondContact O-CB 3.33Å; E1449-L1453 PolarHBondContact O-N 2.99Å; L1450-L1453 WeakPolarHBondContact O-CB 3.48Å; L1450-L1453 PolarHBondContact O-N 3.41Å; N1451-L1453 VanDerWaalsContact C-N 3.33Å; N1451-L1453 PolarHBondContact O-N 3.23Å; L1453-N1456 PolarHBondContact O-N 3.14Å; L1453-L1457 PolarHBondContact O-N 2.78Å |
| 1454 | L | 90.2 | Very high | 85.6 | Confident | 39 Ų | 39 | 50 Ų | 50 | 20% | 0.204 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.6 | -37 | 180 | -64.8 | 172.3 | 0 | 0 | 0 | 112.2 | K1219 L1450 N1451 L1457 E1458 | K1219-L1454 HydrophobicContact CB-CD2 3.99Å; K1219-L1454 HydrophobicContact CG-CD2 4.1Å; L1450-L1454 HydrophobicContact CG-CD1 4.38Å; L1450-L1454 WeakPolarHBondContact O-CG 3.39Å; L1450-L1454 PolarHBondContact O-N 3.07Å; N1451-L1454 PolarHBondContact O-N 3.29Å; L1454-L1457 PolarHBondContact O-N 3.08Å; L1454-E1458 WeakPolarHBondContact O-CB 3.36Å; L1454-E1458 PolarHBondContact O-N 2.9Å |
| 1455 | N | 88 | Confident | 85.4 | Confident | 85 Ų | 85 | 48.6 Ų | 48.6 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.4 | -37.9 | 173 | -70.3 | -23.7 | 0 | 0 | 0 | 112 | N1451 S1459 | N1451-N1455 VanDerWaalsContact O-CB 3.32Å; N1451-N1455 WeakPolarHBondContact O-CB 3.45Å; N1451-N1455 PolarHBondContact O-N 3.44Å; N1451-N1455 PolarHBondContact O-ND2 3.03Å; N1455-S1459 WeakPolarHBondContact O-CB 3.46Å; N1455-S1459 PolarHBondContact O-N 3.06Å; N1455-S1459 PolarHBondContact O-OG 3.31Å |
| 1456 | N | 87.5 | Confident | 84.6 | Confident | 62 Ų | 62 | 54.1 Ų | 54.1 | 33% | 0.332 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.8 | -44.2 | 172.9 | -80.3 | -46.3 | 0 | 0 | 0 | 111.5 | H1190 L1193 N1452 L1453 S1459 I1460 | H1190-N1456 PolarHBondContact CE1-OD1 3.26Å; L1193-N1456 HydrophobicContact CD1-CB 3.86Å; N1452-N1456 WeakPolarHBondContact O-CB 3.49Å; N1452-N1456 VanDerWaalsContact O-CG 3.28Å; N1452-N1456 PolarHBondContact O-N 3.41Å; N1452-N1456 PolarHBondContact O-ND2 3.08Å; L1453-N1456 PolarHBondContact O-N 3.14Å; N1456-S1459 PolarHBondContact O-N 3.34Å; N1456-I1460 WeakPolarHBondContact O-CB 3.27Å; N1456-I1460 VanDerWaalsContact O-CG1 3.28Å; N1456-I1460 WeakPolarHBondContact O-CG1 3.42Å; N1456-I1460 PolarHBondContact O-N 3.36Å |
| 1457 | L | 90.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59 | -47.5 | 174.5 | -175.7 | 157.9 | 0 | 0 | 0 | 111 | L1193 L1215 L1218 K1219 C1222 L1453 L1454 S1459 I1460 F1461 | L1193-L1457 HydrophobicContact CD2-CB 4.38Å; L1193-L1457 HydrophobicContact CD2-CD1 4.31Å; L1215-L1457 HydrophobicContact CD1-CD2 3.53Å; L1218-L1457 HydrophobicContact CB-CD2 4.19Å; K1219-L1457 HydrophobicContact CG-CD2 4.31Å; C1222-L1457 HydrophobicContact CB-CD1 3.98Å; L1453-L1457 PolarHBondContact O-N 2.78Å; L1454-L1457 PolarHBondContact O-N 3.08Å; L1457-S1459 PolarHBondContact O-N 2.91Å; L1457-I1460 PolarHBondContact O-N 2.9Å; L1457-F1461 WeakPolarHBondContact O-CB 3.36Å; L1457-F1461 PolarHBondContact O-N 3.34Å |
| 1458 | E | 89 | Confident | 82.5 | Confident | 80 Ų | 80 | 55 Ų | 55 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 176.9 | 175 | 160.8 | -176.3 | 0 | 0 | 112.7 | L1215 K1219 L1454 F1461 S1462 | L1215-E1458 HydrophobicContact CD1-CB 4.21Å; L1215-E1458 HydrophobicContact CD2-CB 4.32Å; L1215-E1458 HydrophobicContact CD2-CG 3.85Å; K1219-E1458 VanDerWaalsContact CE-OE2 3.22Å; K1219-E1458 WeakPolarHBondContact CE-OE2 3.34Å; K1219-E1458 IonicContact NZ-OE2 3.23Å; K1219-E1458 PolarHBondContact NZ-OE2 3.38Å; L1454-E1458 WeakPolarHBondContact O-CB 3.36Å; L1454-E1458 PolarHBondContact O-N 2.9Å; E1458-F1461 PolarHBondContact O-N 3.42Å; E1458-S1462 VanDerWaalsContact O-CB 3.25Å; E1458-S1462 WeakPolarHBondContact O-CB 3.2Å; E1458-S1462 PolarHBondContact O-N 2.91Å |
| 1459 | S | 86.2 | Confident | 81 | Confident | 66 Ų | 66 | 53.2 Ų | 53.2 | 46% | 0.462 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 176.8 | -61.4 | 0 | 0 | 0 | 0 | 111.8 | N1455 N1456 L1457 Y1463 | N1455-S1459 WeakPolarHBondContact O-CB 3.46Å; N1455-S1459 PolarHBondContact O-N 3.06Å; N1455-S1459 PolarHBondContact O-OG 3.31Å; N1456-S1459 PolarHBondContact O-N 3.34Å; L1457-S1459 PolarHBondContact O-N 2.91Å; S1459-Y1463 WeakPolarHBondContact O-CB 3.03Å; S1459-Y1463 PolarHBondContact O-N 3.38Å |
| 1460 | I | 86.4 | Confident | 78.6 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 175.6 | -69.5 | 166.3 | 0 | 0 | 0 | 110.5 | H1190 L1193 F1194 V1197 N1456 L1457 Y1463 L1464 | H1190-I1460 HydrophobicContact CB-CD1 4.45Å; L1193-I1460 HydrophobicContact CB-CD1 3.79Å; L1193-I1460 HydrophobicContact CD1-CD1 4.27Å; F1194-I1460 HydrophobicContact CD1-CG1 4.5Å; F1194-I1460 HydrophobicContact CD1-CG2 3.56Å; F1194-I1460 HydrophobicContact CD2-CD1 3.97Å; F1194-I1460 HydrophobicContact CE1-CB 4.39Å; F1194-I1460 HydrophobicContact CE1-CD1 4.42Å; F1194-I1460 HydrophobicContact CE1-CG1 4.02Å; F1194-I1460 HydrophobicContact CE1-CG2 3.63Å; F1194-I1460 HydrophobicContact CE2-CD1 3.78Å; F1194-I1460 HydrophobicContact CE2-CG1 4.08Å; F1194-I1460 HydrophobicContact CG-CD1 4.35Å; F1194-I1460 HydrophobicContact CG-CG2 4.15Å; F1194-I1460 HydrophobicContact CZ-CD1 4.02Å; F1194-I1460 HydrophobicContact CZ-CG1 3.77Å; F1194-I1460 HydrophobicContact CZ-CG2 4.27Å; V1197-I1460 HydrophobicContact CB-CG2 4.39Å; V1197-I1460 HydrophobicContact CG2-CG2 4.13Å; N1456-I1460 WeakPolarHBondContact O-CB 3.27Å; N1456-I1460 VanDerWaalsContact O-CG1 3.28Å; N1456-I1460 WeakPolarHBondContact O-CG1 3.42Å; N1456-I1460 PolarHBondContact O-N 3.36Å; L1457-I1460 PolarHBondContact O-N 2.9Å; I1460-Y1463 PolarHBondContact O-N 3.08Å; I1460-L1464 HydrophobicContact CG2-CD1 3.89Å; I1460-L1464 WeakPolarHBondContact O-CG 3.18Å; I1460-L1464 PolarHBondContact O-N 3.05Å |
| 1461 | F | 89.1 | Confident | 76.2 | Confident | 8 Ų | 8 | 58.5 Ų | 58.5 | 4% | 0.035 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64 | -44.9 | 179.9 | -175.1 | -89.7 | 0 | 0 | 0 | 112.4 | V1197 C1211 H1214 L1215 L1218 L1457 E1458 Y1463 S1465 | V1197-F1461 HydrophobicContact CG1-CD2 3.93Å; V1197-F1461 HydrophobicContact CG2-CB 4.33Å; V1197-F1461 HydrophobicContact CG2-CD2 4.25Å; C1211-F1461 WeakPolarHBondContact O-CE1 3.31Å; C1211-F1461 WeakPolarHBondContact O-CZ 3.24Å; C1211-F1461 VanDerWaalsContact SG-CE1 3.52Å; H1214-F1461 HydrophobicContact CB-CE2 4.47Å; H1214-F1461 HydrophobicContact CB-CZ 4.08Å; H1214-F1461 AromaticContact CE1-CE2 3.59Å; H1214-F1461 AromaticContact CG-CE2 3.78Å; H1214-F1461 AromaticContact CG-CZ 3.84Å; H1214-F1461 AromaticContact ND1-CE2 3.5Å; H1214-F1461 WeakPolarHBondContact ND1-CE2 3.34Å; H1214-F1461 AromaticContact ND1-CZ 3.62Å; H1214-F1461 AromaticContact NE2-CE2 3.91Å; L1215-F1461 HydrophobicContact CB-CD1 3.91Å; L1215-F1461 HydrophobicContact CB-CE1 3.68Å; L1215-F1461 HydrophobicContact CB-CG 4.48Å; L1215-F1461 HydrophobicContact CB-CZ 4.07Å; L1215-F1461 HydrophobicContact CD1-CB 4.01Å; L1215-F1461 HydrophobicContact CD1-CD1 3.92Å; L1215-F1461 HydrophobicContact CD1-CD2 4.47Å; L1215-F1461 HydrophobicContact CD1-CG 3.88Å; L1215-F1461 HydrophobicContact CD2-CD1 4.24Å; L1215-F1461 HydrophobicContact CG-CD1 4.24Å; L1215-F1461 HydrophobicContact CG-CE1 4.49Å; L1218-F1461 HydrophobicContact CD1-CD2 3.68Å; L1218-F1461 HydrophobicContact CD1-CE2 3.71Å; L1457-F1461 WeakPolarHBondContact O-CB 3.36Å; L1457-F1461 PolarHBondContact O-N 3.34Å; E1458-F1461 PolarHBondContact O-N 3.42Å; F1461-Y1463 VanDerWaalsContact C-N 3.33Å; F1461-Y1463 PolarHBondContact O-N 3.38Å; F1461-S1465 WeakPolarHBondContact O-CB 3.3Å; F1461-S1465 PolarHBondContact O-N 3.21Å; F1461-S1465 PolarHBondContact O-OG 2.78Å |
| 1462 | S | 85.5 | Confident | 73.7 | Confident | 47 Ų | 47 | 55.4 Ų | 55.4 | 33% | 0.329 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | 175.6 | -169.9 | 0 | 0 | 0 | 0 | 111.6 | E1458 K1466 | E1458-S1462 VanDerWaalsContact O-CB 3.25Å; E1458-S1462 WeakPolarHBondContact O-CB 3.2Å; E1458-S1462 PolarHBondContact O-N 2.91Å; S1462-K1466 WeakPolarHBondContact O-CD 3.46Å; S1462-K1466 VanDerWaalsContact O-CG 3.29Å; S1462-K1466 WeakPolarHBondContact O-CG 3.33Å; S1462-K1466 PolarHBondContact O-N 3.34Å; S1462-K1466 PolarHBondContact OG-NZ 3.35Å; S1462-K1466 VanDerWaalsContact OG-NZ 3.16Å |
| 1463 | Y | 76.7 | Confident | 71.1 | Confident | 40 Ų | 40 | 54 Ų | 54 | 16% | 0.157 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.5 | -51.4 | 177.9 | -178.1 | -108.8 | 0 | 0 | 0 | 112.4 | L1176 W1178 S1459 I1460 F1461 S1465 K1466 K1467 | L1176-Y1463 HydrophobicContact CD1-CE1 4.4Å; L1176-Y1463 HydrophobicContact CD2-CE1 4.1Å; W1178-Y1463 HydrophobicContact CB-CD2 4.14Å; W1178-Y1463 HydrophobicContact CB-CE1 4.12Å; W1178-Y1463 HydrophobicContact CB-CE2 3.37Å; W1178-Y1463 WeakPolarHBondContact CB-OH 3.23Å; W1178-Y1463 HydrophobicContact CD2-CD1 4.32Å; W1178-Y1463 HydrophobicContact CD2-CD2 4.27Å; W1178-Y1463 HydrophobicContact CD2-CE1 4.35Å; W1178-Y1463 HydrophobicContact CD2-CE2 4.32Å; W1178-Y1463 HydrophobicContact CD2-CG 4.29Å; W1178-Y1463 HydrophobicContact CE3-CD1 4.16Å; W1178-Y1463 HydrophobicContact CE3-CE1 4.13Å; W1178-Y1463 AromaticContact CG-CD2 3.92Å; W1178-Y1463 HydrophobicContact CG-CD2 3.92Å; W1178-Y1463 HydrophobicContact CG-CE1 4.39Å; W1178-Y1463 AromaticContact CG-CE2 3.67Å; W1178-Y1463 HydrophobicContact CG-CE2 3.67Å; W1178-Y1463 HydrophobicContact CG-CG 4.41Å; W1178-Y1463 AromaticContact CG-CZ 3.94Å; S1459-Y1463 WeakPolarHBondContact O-CB 3.03Å; S1459-Y1463 PolarHBondContact O-N 3.38Å; I1460-Y1463 PolarHBondContact O-N 3.08Å; F1461-Y1463 VanDerWaalsContact C-N 3.33Å; F1461-Y1463 PolarHBondContact O-N 3.38Å; Y1463-S1465 PolarHBondContact O-N 3.34Å; Y1463-K1466 PolarHBondContact O-N 2.83Å; Y1463-K1467 HydrophobicContact CE1-CD 4.33Å; Y1463-K1467 PolarHBondContact O-N 3.38Å; Y1463-K1467 WeakPolarHBondContact OH-CE 3.32Å |
| 1464 | L | 78.9 | Confident | 68.2 | Low | 40 Ų | 40 | 61.3 Ų | 61.3 | 21% | 0.209 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.7 | -36.6 | -180 | -68.2 | 172.8 | 0 | 0 | 0 | 112.1 | F1194 V1197 I1198 I1460 K1467 K1468 | F1194-L1464 HydrophobicContact CD1-CD1 4.31Å; V1197-L1464 HydrophobicContact CB-CD1 4.14Å; V1197-L1464 HydrophobicContact CG1-CB 4.4Å; V1197-L1464 HydrophobicContact CG1-CD1 3.61Å; I1198-L1464 HydrophobicContact CG1-CD1 4.26Å; I1460-L1464 HydrophobicContact CG2-CD1 3.89Å; I1460-L1464 WeakPolarHBondContact O-CG 3.18Å; I1460-L1464 PolarHBondContact O-N 3.05Å; L1464-K1467 PolarHBondContact O-N 2.74Å; L1464-K1468 PolarHBondContact O-N 2.98Å |
| 1465 | S | 79.7 | Confident | 65.6 | Low | 30 Ų | 30 | 63.1 Ų | 63.1 | 21% | 0.21 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 178.1 | -62.6 | 0 | 0 | 0 | 0 | 113.1 | F1461 Y1463 K1468 V1469 | F1461-S1465 WeakPolarHBondContact O-CB 3.3Å; F1461-S1465 PolarHBondContact O-N 3.21Å; F1461-S1465 PolarHBondContact O-OG 2.78Å; Y1463-S1465 PolarHBondContact O-N 3.34Å; S1465-K1468 WeakPolarHBondContact O-CB 3.16Å; S1465-K1468 PolarHBondContact O-N 3.34Å; S1465-V1469 PolarHBondContact O-N 2.84Å |
| 1466 | K | 69.7 | Low | 62.8 | Low | 128 Ų | 128 | 62 Ų | 62 | 56% | 0.557 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.7 | -48 | 175.9 | -76.4 | 163.1 | -178.1 | 158.8 | 0 | 111.4 | S1462 Y1463 K1468 V1469 D1470 | S1462-K1466 WeakPolarHBondContact O-CD 3.46Å; S1462-K1466 VanDerWaalsContact O-CG 3.29Å; S1462-K1466 WeakPolarHBondContact O-CG 3.33Å; S1462-K1466 PolarHBondContact O-N 3.34Å; S1462-K1466 PolarHBondContact OG-NZ 3.35Å; S1462-K1466 VanDerWaalsContact OG-NZ 3.16Å; Y1463-K1466 PolarHBondContact O-N 2.83Å; K1466-K1468 VanDerWaalsContact C-N 3.28Å; K1466-K1468 PolarHBondContact O-N 2.79Å; K1466-V1469 WeakPolarHBondContact O-CA 3.42Å; K1466-V1469 WeakPolarHBondContact O-CB 3.21Å; K1466-V1469 PolarHBondContact O-N 2.75Å; K1466-D1470 PolarHBondContact O-N 3.38Å |
| 1467 | K | 60.1 | Low | 60.1 | Low | 44 Ų | 44 | 63.5 Ų | 63.5 | 19% | 0.191 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.8 | -31.4 | 177.7 | -90.3 | 176.2 | 156.5 | -83.1 | 0 | 114 | N1175 L1176 Y1463 L1464 V1469 D1470 H1471 | N1175-K1467 WeakPolarHBondContact O-CE 3.32Å; N1175-K1467 PolarHBondContact O-NZ 3.07Å; L1176-K1467 HydrophobicContact CD2-CD 3.39Å; Y1463-K1467 HydrophobicContact CE1-CD 4.33Å; Y1463-K1467 PolarHBondContact O-N 3.38Å; Y1463-K1467 WeakPolarHBondContact OH-CE 3.32Å; L1464-K1467 PolarHBondContact O-N 2.74Å; K1467-V1469 PolarHBondContact O-N 2.74Å; K1467-D1470 PolarHBondContact O-N 3.47Å; K1467-H1471 PolarHBondContact O-CD2 3.05Å; K1467-H1471 VanDerWaalsContact O-CD2 3.3Å; K1467-H1471 PolarHBondContact O-N 2.89Å; K1467-H1471 VanDerWaalsContact O-N 3.07Å |
| 1468 | K | 60 | Low | 57.4 | Low | 107 Ų | 107 | 67 Ų | 67 | 47% | 0.465 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.2 | -32.1 | 172.8 | -166.8 | 170.2 | -179.2 | 172.7 | 0 | 112.2 | L1464 S1465 K1466 | L1464-K1468 PolarHBondContact O-N 2.98Å; S1465-K1468 WeakPolarHBondContact O-CB 3.16Å; S1465-K1468 PolarHBondContact O-N 3.34Å; K1466-K1468 VanDerWaalsContact C-N 3.28Å; K1466-K1468 PolarHBondContact O-N 2.79Å |
| 1469 | V | 51.1 | Low | 54.7 | Low | 71 Ų | 71 | 68.2 Ų | 68.2 | 43% | 0.43 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -75.1 | -47.7 | 172.2 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | S1465 K1466 K1467 H1471 S1472 N1473 | S1465-V1469 PolarHBondContact O-N 2.84Å; K1466-V1469 WeakPolarHBondContact O-CA 3.42Å; K1466-V1469 WeakPolarHBondContact O-CB 3.21Å; K1466-V1469 PolarHBondContact O-N 2.75Å; K1467-V1469 PolarHBondContact O-N 2.74Å; V1469-H1471 PolarHBondContact O-N 3.33Å; V1469-S1472 PolarHBondContact O-N 2.9Å; V1469-S1472 VanDerWaalsContact O-N 3.1Å; V1469-S1472 PolarHBondContact O-OG 3.46Å; V1469-N1473 PolarHBondContact O-N 2.95Å; V1469-N1473 PolarHBondContact O-ND2 2.84Å |
| 1470 | D | 34.9 | Very low | 52 | Low | 95 Ų | 95 | 70.5 Ų | 70.5 | 51% | 0.508 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.9 | -44.2 | -176.2 | -61.3 | -37 | 0 | 0 | 0 | 112.8 | K1466 K1467 S1472 N1473 Y1474 | K1466-D1470 PolarHBondContact O-N 3.38Å; K1467-D1470 PolarHBondContact O-N 3.47Å; D1470-S1472 PolarHBondContact O-N 3.02Å; D1470-N1473 PolarHBondContact O-N 3.37Å; D1470-Y1474 PolarHBondContact O-N 3.23Å |
| 1471 | H | 36.2 | Very low | 49.3 | Very low | 100 Ų | 100 | 75.3 Ų | 75.3 | 46% | 0.463 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.8 | -33.7 | 177.3 | -78.4 | -78.9 | 0 | 0 | 0 | 113.1 | K1467 V1469 N1473 Y1474 I1475 | K1467-H1471 PolarHBondContact O-CD2 3.05Å; K1467-H1471 VanDerWaalsContact O-CD2 3.3Å; K1467-H1471 PolarHBondContact O-N 2.89Å; K1467-H1471 VanDerWaalsContact O-N 3.07Å; V1469-H1471 PolarHBondContact O-N 3.33Å; H1471-N1473 VanDerWaalsContact C-N 3.33Å; H1471-N1473 PolarHBondContact O-N 3.4Å; H1471-Y1474 WeakPolarHBondContact O-CB 3.25Å; H1471-Y1474 PolarHBondContact O-N 2.57Å; H1471-Y1474 VanDerWaalsContact O-N 3.15Å; H1471-I1475 WeakPolarHBondContact O-CG1 3.49Å; H1471-I1475 PolarHBondContact O-N 2.79Å |
| 1472 | S | 34.3 | Very low | 46.5 | Very low | 17 Ų | 17 | 82.1 Ų | 82.1 | 12% | 0.119 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -65.3 | -35.8 | 175.8 | 72.2 | 0 | 0 | 0 | 0 | 112.6 | V1469 D1470 Y1474 S1476 | V1469-S1472 PolarHBondContact O-N 2.9Å; V1469-S1472 VanDerWaalsContact O-N 3.1Å; V1469-S1472 PolarHBondContact O-OG 3.46Å; D1470-S1472 PolarHBondContact O-N 3.02Å; S1472-Y1474 VanDerWaalsContact C-N 3.31Å; S1472-Y1474 PolarHBondContact O-N 2.66Å; S1472-S1476 WeakPolarHBondContact O-CB 3.47Å; S1472-S1476 PolarHBondContact O-N 3.22Å; S1472-S1476 VanDerWaalsContact O-N 3.09Å; S1472-S1476 PolarHBondContact O-OG 3.1Å |
| 1473 | N | 30.4 | Very low | 43.8 | Very low | 65 Ų | 65 | 86 Ų | 86 | 35% | 0.348 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.8 | -30.9 | 173.8 | -63.8 | -35.5 | 0 | 0 | 0 | 111.9 | V1469 D1470 H1471 T1477 | V1469-N1473 PolarHBondContact O-N 2.95Å; V1469-N1473 PolarHBondContact O-ND2 2.84Å; D1470-N1473 PolarHBondContact O-N 3.37Å; H1471-N1473 VanDerWaalsContact C-N 3.33Å; H1471-N1473 PolarHBondContact O-N 3.4Å; N1473-T1477 WeakPolarHBondContact O-CG2 3.27Å; N1473-T1477 PolarHBondContact O-N 2.92Å; N1473-T1477 PolarHBondContact O-OG1 3.42Å |
| 1474 | Y | 29.2 | Very low | 41.5 | Very low | 159 Ų | 159 | 89.9 Ų | 89.9 | 62% | 0.624 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -73.8 | -38.9 | 177.8 | -154.7 | -97 | 0 | 0 | 0 | 112.6 | D1470 H1471 S1472 T1477 T1478 | D1470-Y1474 PolarHBondContact O-N 3.23Å; H1471-Y1474 WeakPolarHBondContact O-CB 3.25Å; H1471-Y1474 PolarHBondContact O-N 2.57Å; H1471-Y1474 VanDerWaalsContact O-N 3.15Å; S1472-Y1474 VanDerWaalsContact C-N 3.31Å; S1472-Y1474 PolarHBondContact O-N 2.66Å; Y1474-T1477 WeakPolarHBondContact CA-OG1 3.32Å; Y1474-T1477 PolarHBondContact O-N 2.78Å; Y1474-T1477 PolarHBondContact O-OG1 3.1Å; Y1474-T1478 HydrophobicContact CD1-CG2 4.11Å; Y1474-T1478 HydrophobicContact CE1-CG2 3.89Å; Y1474-T1478 PolarHBondContact O-N 3.49Å; Y1474-T1478 VanDerWaalsContact O-N 3.12Å; Y1474-T1478 PolarHBondContact O-OG1 3.38Å |
| 1475 | I | 33.7 | Very low | 39.2 | Very low | 78 Ų | 78 | 96.4 Ų | 96.4 | 40% | 0.4 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 173.6 | -65.3 | 166.6 | 0 | 0 | 0 | 110.4 | E1034 H1471 T1477 T1478 T1479 | E1034-I1475 WeakPolarHBondContact OE1-CG2 3.32Å; H1471-I1475 WeakPolarHBondContact O-CG1 3.49Å; H1471-I1475 PolarHBondContact O-N 2.79Å; I1475-T1477 PolarHBondContact O-N 2.7Å; I1475-T1477 VanDerWaalsContact O-N 3.11Å; I1475-T1478 PolarHBondContact O-N 3.18Å; I1475-T1478 PolarHBondContact O-OG1 2.71Å; I1475-T1479 PolarHBondContact O-N 3.43Å; I1475-T1479 PolarHBondContact O-OG1 3.04Å |
| 1476 | S | 29.5 | Very low | 36.8 | Very low | 61 Ų | 61 | 99.7 Ų | 99.7 | 43% | 0.427 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65 | -10.9 | 174.8 | -59.1 | 0 | 0 | 0 | 0 | 114.6 | S1472 | S1472-S1476 WeakPolarHBondContact O-CB 3.47Å; S1472-S1476 PolarHBondContact O-N 3.22Å; S1472-S1476 VanDerWaalsContact O-N 3.09Å; S1472-S1476 PolarHBondContact O-OG 3.1Å |
| 1477 | T | 31.7 | Very low | 34.8 | Very low | 94 Ų | 94 | 98.1 Ų | 98.1 | 58% | 0.577 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -116.2 | -7.2 | 180 | 46 | 0 | 0 | 0 | 0 | 114.5 | N1473 Y1474 I1475 | N1473-T1477 WeakPolarHBondContact O-CG2 3.27Å; N1473-T1477 PolarHBondContact O-N 2.92Å; N1473-T1477 PolarHBondContact O-OG1 3.42Å; Y1474-T1477 WeakPolarHBondContact CA-OG1 3.32Å; Y1474-T1477 PolarHBondContact O-N 2.78Å; Y1474-T1477 PolarHBondContact O-OG1 3.1Å; I1475-T1477 PolarHBondContact O-N 2.7Å; I1475-T1477 VanDerWaalsContact O-N 3.11Å |
| 1478 | T | 33.8 | Very low | 33.2 | Very low | 74 Ų | 74 | 102.4 Ų | 102.4 | 45% | 0.454 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -102.3 | -15.1 | 176.5 | 43.4 | 0 | 0 | 0 | 0 | 113.6 | Y1474 I1475 T1480 | Y1474-T1478 HydrophobicContact CD1-CG2 4.11Å; Y1474-T1478 HydrophobicContact CE1-CG2 3.89Å; Y1474-T1478 PolarHBondContact O-N 3.49Å; Y1474-T1478 VanDerWaalsContact O-N 3.12Å; Y1474-T1478 PolarHBondContact O-OG1 3.38Å; I1475-T1478 PolarHBondContact O-N 3.18Å; I1475-T1478 PolarHBondContact O-OG1 2.71Å; T1478-T1480 VanDerWaalsContact C-N 3.3Å; T1478-T1480 PolarHBondContact O-N 2.6Å |
| 1479 | T | 30.6 | Very low | 31.8 | Very low | 105 Ų | 105 | 103.1 Ų | 103.1 | 64% | 0.644 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -2.1 | -179.4 | 37.3 | 0 | 0 | 0 | 0 | 115.2 | I1475 | I1475-T1479 PolarHBondContact O-N 3.43Å; I1475-T1479 PolarHBondContact O-OG1 3.04Å |
| 1480 | T | 31 | Very low | 30.6 | Very low | 113 Ų | 113 | 106.2 Ų | 106.2 | 69% | 0.693 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | -0.5 | -174.3 | 46.8 | 0 | 0 | 0 | 0 | 115.5 | T1478 | T1478-T1480 VanDerWaalsContact C-N 3.3Å; T1478-T1480 PolarHBondContact O-N 2.6Å |
| 1481 | T | 29 | Very low | 30.2 | Very low | 106 Ų | 106 | 107.3 Ų | 107.3 | 65% | 0.65 | 63% | 0.634 | S | S | * | * | trans | -144.3 | 86.9 | -177.9 | 55.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1482 | T | 29.4 | Very low | 29.7 | Very low | 150 Ų | 150 | 109.5 Ų | 109.5 | 92% | 0.92 | 66% | 0.655 | S | S | * | * | trans | -171.5 | 115 | 136.6 | 20.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 1483 | T | 28.9 | Very low | 29.3 | Very low | 129 Ų | 129 | 113.9 Ų | 113.9 | 79% | 0.791 | 69% | 0.685 | S | S | * | * | trans | -114 | 144.6 | 168.5 | -23.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1484 | T | 29 | Very low | 29 | Very low | 121 Ų | 121 | 118.7 Ų | 118.7 | 74% | 0.742 | 71% | 0.711 | S | S | * | * | trans | 51.6 | 103.3 | 167.2 | 54.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1485 | M | 31.8 | Very low | 28.9 | Very low | 178 Ų | 178 | 116.1 Ų | 116.1 | 88% | 0.877 | 72% | 0.716 | S | S | * | * | -159.8 | 154.9 | 126.3 | -100.7 | -53 | 105.9 | 0 | 0 | 109.5 | |||||
| 1486 | S | 27.5 | Very low | 28.5 | Very low | 98 Ų | 98 | 119.9 Ų | 119.9 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | trans | -135.2 | 156.1 | -163 | 56.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1487 | S | 28.3 | Very low | 28.4 | Very low | 96 Ų | 96 | 125.1 Ų | 125.1 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | trans | 64.5 | 120.2 | 155.9 | 53.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1488 | T | 27.5 | Very low | 28.2 | Very low | 133 Ų | 133 | 126.3 Ų | 126.3 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | trans | 64.9 | 135.7 | 146.3 | 60.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1489 | T | 29.1 | Very low | 27.8 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | cis | -146.7 | 159.6 | 37.1 | 43.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1490 | T | 26.7 | Very low | 27.5 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | trans | -20.2 | 126.9 | 164.1 | 52.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1491 | S | 27 | Very low | 27.4 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | -159.9 | 158.3 | 136.7 | 52.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1492 | T | 25 | Very low | 27.4 | Very low | 146 Ų | 146 | 130.7 Ų | 130.7 | 90% | 0.896 | 77% | 0.769 | S | S | * | * | trans | -91.5 | 122.7 | -173.2 | 48.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1493 | S | 25.6 | Very low | 27.3 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -152.1 | 148.2 | 165 | 55.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1494 | N | 24.8 | Very low | 27.2 | Very low | 167 Ų | 167 | 129.7 Ų | 129.7 | 89% | 0.893 | 76% | 0.759 | S | S | * | * | trans | -69.1 | 130.9 | 171.3 | -60.7 | -44.5 | 0 | 0 | 0 | 109 | ||||
| 1495 | S | 26.1 | Very low | 27.1 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | -129.9 | 114 | 169.9 | -163.3 | 0 | 0 | 0 | 0 | 110.5 | H1497 | S1495-H1497 PolarHBondContact O-N 2.86Š| ||
| 1496 | I | 25.8 | Very low | 26.8 | Very low | 157 Ų | 157 | 127.3 Ų | 127.3 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | trans | -78.9 | 107 | 179.3 | -63.3 | 162.5 | 0 | 0 | 0 | 107.2 | L1498 | I1496-L1498 PolarHBondContact O-N 3.04Å; I1496-L1498 VanDerWaalsContact O-N 3.08Å | ||
| 1497 | H | 27.8 | Very low | 26.7 | Very low | 172 Ų | 172 | 129.2 Ų | 129.2 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | trans | -87.2 | 81.4 | 179.4 | -140 | -69.1 | 0 | 0 | 0 | 111.6 | S1495 | S1495-H1497 PolarHBondContact O-N 2.86Š| ||
| 1498 | L | 28.4 | Very low | 26.6 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 62% | 0.618 | 76% | 0.763 | S | S | * | * | trans | 16.9 | 112.1 | 149.9 | -63.9 | 161.3 | 0 | 0 | 0 | 116.2 | I1496 | I1496-L1498 PolarHBondContact O-N 3.04Å; I1496-L1498 VanDerWaalsContact O-N 3.08Å | ||
| 1499 | E | 25.3 | Very low | 26.5 | Very low | 97 Ų | 97 | 131.5 Ų | 131.5 | 45% | 0.453 | 76% | 0.759 | S | S | . | * | 71.1 | 124.9 | 78.3 | -75.5 | -102.3 | 102.2 | 0 | 0 | 113.8 | |||||
| 1500 | F | 24.4 | Very low | 26.3 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 55% | 0.553 | 76% | 0.759 | S | S | * | * | trans | 54.6 | 106.2 | 175.4 | -76.3 | -83.8 | 0 | 0 | 0 | 120.6 | S1172 M1173 | S1172-F1500 WeakPolarHBondContact O-CE2 3.09Å; S1172-F1500 WeakPolarHBondContact O-CZ 3.23Å; M1173-F1500 HydrophobicContact CG-CE2 4.39Å; M1173-F1500 HydrophobicContact CG-CZ 4.06Å | ||
| 1501 | S | 29 | Very low | 26.3 | Very low | 137 Ų | 137 | 131.8 Ų | 131.8 | 96% | 0.958 | 75% | 0.753 | S | S | * | * | trans | -145.1 | 0 | 141.1 | -75.7 | 0 | 0 | 0 | 0 | 110.4 | K1202 | K1202-S1501 WeakPolarHBondContact CE-O 3.49Å; K1202-S1501 PolarHBondContact NZ-O 2.95Å |
Retrieved 1,501 of 1,501 residues in 1662.6 ms
(Link to these results)