| 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 | 35.6 | Very low | 30.2 | Very low | 241 Ų | 241 | 147.5 Ų | 147.5 | 100% | 1.187 | 82% | 0.817 | S | S | * | * | 0 | 119.2 | 0 | -74.5 | 173.2 | 152.7 | 0 | 0 | 107.2 | N3 | M1-N3 PolarHBondContact O-N 3.09Š| |||
| 2 | T | 32.3 | Very low | 29.8 | Very low | 142 Ų | 142 | 146.7 Ų | 146.7 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | trans | -66.8 | 112.8 | -171.8 | 10.6 | 0 | 0 | 0 | 0 | 110.5 | I4 | T2-I4 PolarHBondContact O-N 3.39Å; T2-I4 VanDerWaalsContact O-N 3.17Å | ||
| 3 | N | 25.1 | Very low | 29.6 | Very low | 163 Ų | 163 | 147.5 Ų | 147.5 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | trans | -65.4 | 104.6 | 170.7 | -96.8 | -36.6 | 0 | 0 | 0 | 109.4 | M1 S5 | M1-N3 PolarHBondContact O-N 3.09Å; N3-S5 VanDerWaalsContact C-N 3.35Å; N3-S5 PolarHBondContact O-N 3.48Å | ||
| 4 | I | 33.5 | Very low | 29.4 | Very low | 149 Ų | 149 | 145.1 Ų | 145.1 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | trans | -84.3 | 90.1 | 163.9 | -59.9 | 172.8 | 0 | 0 | 0 | 105.8 | T2 T6 | T2-I4 PolarHBondContact O-N 3.39Å; T2-I4 VanDerWaalsContact O-N 3.17Å; I4-T6 PolarHBondContact O-N 2.94Å; I4-T6 VanDerWaalsContact O-N 3.08Å | ||
| 5 | S | 29 | Very low | 29.5 | Very low | 105 Ų | 105 | 144.5 Ų | 144.5 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | trans | -68.8 | 100.7 | 170.4 | -174.7 | 0 | 0 | 0 | 0 | 108 | N3 R7 | N3-S5 VanDerWaalsContact C-N 3.35Å; N3-S5 PolarHBondContact O-N 3.48Å; S5-R7 PolarHBondContact O-N 2.91Å | ||
| 6 | T | 31.7 | Very low | 29.4 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -66.7 | 84.4 | 166.7 | 45.7 | 0 | 0 | 0 | 0 | 108 | I4 S8 | I4-T6 PolarHBondContact O-N 2.94Å; I4-T6 VanDerWaalsContact O-N 3.08Å; T6-S8 PolarHBondContact O-N 2.81Å | ||
| 7 | R | 28.9 | Very low | 29.6 | Very low | 235 Ų | 235 | 138.2 Ų | 138.2 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | -65.5 | 98.7 | 170 | -158.8 | 179 | -173.6 | -165.5 | 1.4 | 106.5 | S5 G9 | S5-R7 PolarHBondContact O-N 2.91Å; R7-G9 VanDerWaalsContact C-N 3.31Å; R7-G9 PolarHBondContact O-N 3.05Å | ||
| 8 | S | 30.9 | Very low | 29.8 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -59.1 | 97.8 | 170.5 | 60.2 | 0 | 0 | 0 | 0 | 107.4 | T6 S10 | T6-S8 PolarHBondContact O-N 2.81Å; S8-S10 VanDerWaalsContact C-N 3.27Å; S8-S10 PolarHBondContact O-N 3.5Å | ||
| 9 | G | 28.6 | Very low | 30.3 | Very low | 55 Ų | 55 | 136.7 Ų | 136.7 | 57% | 0.567 | 79% | 0.788 | S | S | * | * | trans | -64.7 | 95 | 169.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | R7 F11 | R7-G9 VanDerWaalsContact C-N 3.31Å; R7-G9 PolarHBondContact O-N 3.05Å; G9-F11 VanDerWaalsContact C-N 3.35Å; G9-F11 WeakPolarHBondContact O-CD2 3.38Å; G9-F11 PolarHBondContact O-N 2.71Å | ||
| 10 | S | 26.5 | Very low | 30.5 | Very low | 99 Ų | 99 | 136 Ų | 136 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | trans | -55.4 | 103.6 | 160.2 | 46.4 | 0 | 0 | 0 | 0 | 106.8 | S8 I12 | S8-S10 VanDerWaalsContact C-N 3.27Å; S8-S10 PolarHBondContact O-N 3.5Å; S10-I12 PolarHBondContact O-N 2.93Å | ||
| 11 | F | 29.8 | Very low | 30.7 | Very low | 195 Ų | 195 | 132.2 Ų | 132.2 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | -62.7 | 94.9 | 165.6 | -76.5 | -92 | 0 | 0 | 0 | 106.4 | G9 L13 | G9-F11 VanDerWaalsContact C-N 3.35Å; G9-F11 WeakPolarHBondContact O-CD2 3.38Å; G9-F11 PolarHBondContact O-N 2.71Å; F11-L13 PolarHBondContact O-N 3.21Å | ||
| 12 | I | 25.9 | Very low | 31.4 | Very low | 138 Ų | 138 | 125.8 Ų | 125.8 | 71% | 0.708 | 73% | 0.728 | S | S | * | * | trans | -64.8 | 95.6 | 161.8 | -61.3 | 174.2 | 0 | 0 | 0 | 104 | S10 T14 | S10-I12 PolarHBondContact O-N 2.93Å; I12-T14 HydrophobicContact CG2-CG2 4.16Å; I12-T14 PolarHBondContact O-N 3Å | ||
| 13 | L | 27.6 | Very low | 31.9 | Very low | 157 Ų | 157 | 123.8 Ų | 123.8 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | trans | -63.8 | 87.8 | 163.8 | -78 | 160.3 | 0 | 0 | 0 | 105.9 | F11 S15 | F11-L13 PolarHBondContact O-N 3.21Å; L13-S15 PolarHBondContact O-N 3.13Å | ||
| 14 | T | 26.2 | Very low | 32.7 | Very low | 115 Ų | 115 | 121 Ų | 121 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | trans | -57.7 | 122.8 | 165.1 | 38.1 | 0 | 0 | 0 | 0 | 107 | I12 G16 | I12-T14 HydrophobicContact CG2-CG2 4.16Å; I12-T14 PolarHBondContact O-N 3Å; T14-G16 PolarHBondContact O-N 3.47Å | ||
| 15 | S | 30.9 | Very low | 33 | Very low | 136 Ų | 136 | 117.3 Ų | 117.3 | 95% | 0.951 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -61.8 | 77.6 | 177.9 | -34.2 | 0 | 0 | 0 | 0 | 110.1 | L13 | L13-S15 PolarHBondContact O-N 3.13Š|
| 16 | G | 27.5 | Very low | 33.6 | Very low | 50 Ų | 50 | 116.3 Ų | 116.3 | 52% | 0.515 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -160.5 | 111.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | T14 | T14-G16 PolarHBondContact O-N 3.47Š|
| 17 | T | 33.5 | Very low | 33.9 | Very low | 131 Ų | 131 | 117.7 Ų | 117.7 | 80% | 0.804 | 66% | 0.66 | S | S | * | * | trans | 55.7 | 81.2 | 168.4 | 59.2 | 0 | 0 | 0 | 0 | 115.4 | I19 | T17-I19 PolarHBondContact O-N 2.78Š| ||
| 18 | S | 32.7 | Very low | 34.3 | Very low | 111 Ų | 111 | 115.6 Ų | 115.6 | 78% | 0.776 | 65% | 0.654 | S | S | * | * | trans | -60.3 | 109.3 | 151.9 | 44.6 | 0 | 0 | 0 | 0 | 107.8 | V20 | S18-V20 PolarHBondContact O-N 3.3Š| ||
| 19 | I | 39.7 | Very low | 34.7 | Very low | 137 Ų | 137 | 118.5 Ų | 118.5 | 70% | 0.703 | 65% | 0.649 | S | S | * | * | trans | -67 | 104.9 | 168.8 | -61.2 | 168.4 | 0 | 0 | 0 | 104.8 | T17 P21 | T17-I19 PolarHBondContact O-N 2.78Å; I19-P21 WeakPolarHBondContact O-CD 3.35Å | ||
| 20 | V | 34.2 | Very low | 34.9 | Very low | 123 Ų | 123 | 122.7 Ų | 122.7 | 75% | 0.745 | 65% | 0.652 | S | S | * | * | trans | -86.2 | 99.2 | 167.3 | -179.6 | 0 | 0 | 0 | 0 | 105.9 | S18 | S18-V20 PolarHBondContact O-N 3.3Š| ||
| 21 | P | 34.8 | Very low | 35 | Very low | 57 Ų | 57 | 123.6 Ų | 123.6 | 37% | 0.37 | 65% | 0.649 | S | S | . | * | trans | -67.4 | 142.4 | 174.5 | 29 | -34.2 | 0 | 0 | 0 | 109.4 | I19 Y29 | I19-P21 WeakPolarHBondContact O-CD 3.35Å; P21-Y29 HydrophobicContact CB-CE2 4.43Å | ||
| 22 | R | 50.8 | Low | 35.2 | Very low | 105 Ų | 105 | 121.6 Ų | 121.6 | 40% | 0.396 | 65% | 0.646 | S | S | . | * | trans | -69.6 | 153.1 | 179.4 | -54.2 | -174.5 | 170 | 175 | -4.3 | 111.2 | E24 Y25 | R22-E24 VanDerWaalsContact CB-CD 3.48Å; R22-E24 HydrophobicContact CB-CG 4.34Å; R22-E24 WeakPolarHBondContact CB-OE2 3.38Å; R22-E24 WeakPolarHBondContact CD-OE1 3.31Å; R22-E24 IonicContact NH1-OE1 3.25Å; R22-E24 PolarHBondContact NH1-OE1 3.04Å; R22-E24 PolarHBondContact O-N 3.41Å; R22-E24 VanDerWaalsContact O-N 3.16Å; R22-Y25 HydrophobicContact CB-CD2 3.89Å; R22-Y25 HydrophobicContact CB-CE2 4.26Å; R22-Y25 HydrophobicContact CG-CD2 4.43Å; R22-Y25 HydrophobicContact CG-CE2 4.47Å; R22-Y25 PolarHBondContact O-N 3.08Å | ||
| 23 | P | 42.6 | Very low | 35.3 | Very low | 101 Ų | 101 | 120.8 Ų | 120.8 | 66% | 0.656 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -52.6 | -38.6 | -178.8 | -24.5 | 33.1 | 0 | 0 | 0 | 113.3 | Y25 L26 | P23-Y25 PolarHBondContact O-N 3.27Å; P23-Y25 VanDerWaalsContact O-N 3.13Å; P23-L26 WeakPolarHBondContact O-CB 3.41Å; P23-L26 PolarHBondContact O-N 3Å; P23-L26 VanDerWaalsContact O-N 3.12Å |
| 24 | E | 41 | Very low | 35.4 | Very low | 105 Ų | 105 | 117.4 Ų | 117.4 | 49% | 0.491 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -66.7 | -13.8 | -179.7 | 65.1 | -94.1 | -153.4 | 0 | 0 | 114.7 | R22 | R22-E24 VanDerWaalsContact CB-CD 3.48Å; R22-E24 HydrophobicContact CB-CG 4.34Å; R22-E24 WeakPolarHBondContact CB-OE2 3.38Å; R22-E24 WeakPolarHBondContact CD-OE1 3.31Å; R22-E24 IonicContact NH1-OE1 3.25Å; R22-E24 PolarHBondContact NH1-OE1 3.04Å; R22-E24 PolarHBondContact O-N 3.41Å; R22-E24 VanDerWaalsContact O-N 3.16Å |
| 25 | Y | 41 | Very low | 35.5 | Very low | 70 Ų | 70 | 117.8 Ų | 117.8 | 28% | 0.275 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -100.8 | -8.3 | 175.9 | -61.5 | -72.6 | 0 | 0 | 0 | 113.2 | R22 P23 E27 Y28 Y29 P55 | R22-Y25 HydrophobicContact CB-CD2 3.89Å; R22-Y25 HydrophobicContact CB-CE2 4.26Å; R22-Y25 HydrophobicContact CG-CD2 4.43Å; R22-Y25 HydrophobicContact CG-CE2 4.47Å; R22-Y25 PolarHBondContact O-N 3.08Å; P23-Y25 PolarHBondContact O-N 3.27Å; P23-Y25 VanDerWaalsContact O-N 3.13Å; Y25-E27 PolarHBondContact O-N 3.36Å; Y25-Y28 PolarHBondContact O-N 3.09Å; Y25-Y28 VanDerWaalsContact O-N 3.08Å; Y25-Y29 VanDerWaalsContact O-CD2 3.31Å; Y25-Y29 WeakPolarHBondContact O-CD2 3.48Å; Y25-Y29 PolarHBondContact O-N 3.08Å; Y25-P55 HydrophobicContact CE1-CG 4.18Å; Y25-P55 WeakPolarHBondContact OH-CD 3.16Å; Y25-P55 VanDerWaalsContact OH-CG 3.24Å; Y25-P55 WeakPolarHBondContact OH-CG 3.42Å |
| 26 | L | 41.7 | Very low | 35.2 | Very low | 84 Ų | 84 | 116.9 Ų | 116.9 | 44% | 0.44 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -60.1 | -37 | 177.6 | -80 | 166.1 | 0 | 0 | 0 | 111.2 | P23 Y28 Y29 F30 | P23-L26 WeakPolarHBondContact O-CB 3.41Å; P23-L26 PolarHBondContact O-N 3Å; P23-L26 VanDerWaalsContact O-N 3.12Å; L26-Y28 PolarHBondContact O-N 2.97Å; L26-Y29 PolarHBondContact O-N 2.99Å; L26-F30 HydrophobicContact CD2-CD2 4.46Å; L26-F30 HydrophobicContact CD2-CE2 4.06Å; L26-F30 WeakPolarHBondContact O-CD2 3.41Å; L26-F30 PolarHBondContact O-N 3.34Å |
| 27 | E | 37.2 | Very low | 35.3 | Very low | 158 Ų | 158 | 119.2 Ų | 119.2 | 74% | 0.738 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -60.9 | -31.3 | 176.3 | -70.4 | -164.7 | 161.5 | 0 | 0 | 113.2 | Y25 N31 | Y25-E27 PolarHBondContact O-N 3.36Å; E27-N31 PolarHBondContact O-ND2 3.13Å |
| 28 | Y | 37.8 | Very low | 34.9 | Very low | 190 Ų | 190 | 121.6 Ų | 121.6 | 75% | 0.745 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -79.2 | -28.4 | 180 | -112.9 | -85.6 | 0 | 0 | 0 | 113.2 | Y25 L26 | Y25-Y28 PolarHBondContact O-N 3.09Å; Y25-Y28 VanDerWaalsContact O-N 3.08Å; L26-Y28 PolarHBondContact O-N 2.97Å |
| 29 | Y | 38 | Very low | 34.5 | Very low | 172 Ų | 172 | 127.2 Ų | 127.2 | 68% | 0.675 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -77.8 | -24.7 | 177.6 | -79.6 | -78.9 | 0 | 0 | 0 | 112.9 | P21 Y25 L26 | P21-Y29 HydrophobicContact CB-CE2 4.43Å; Y25-Y29 VanDerWaalsContact O-CD2 3.31Å; Y25-Y29 WeakPolarHBondContact O-CD2 3.48Å; Y25-Y29 PolarHBondContact O-N 3.08Å; L26-Y29 PolarHBondContact O-N 2.99Å |
| 30 | F | 33.8 | Very low | 34 | Very low | 142 Ų | 142 | 126.9 Ų | 126.9 | 62% | 0.623 | 67% | 0.67 | S | S | * | * | trans | -105.2 | 12.8 | -174.7 | -74.2 | -76.2 | 0 | 0 | 0 | 115.3 | L26 L32 | L26-F30 HydrophobicContact CD2-CD2 4.46Å; L26-F30 HydrophobicContact CD2-CE2 4.06Å; L26-F30 WeakPolarHBondContact O-CD2 3.41Å; L26-F30 PolarHBondContact O-N 3.34Å; F30-L32 HydrophobicContact CD1-CD1 4.31Å; F30-L32 PolarHBondContact O-N 2.97Å | ||
| 31 | N | 28.5 | Very low | 33.8 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 64% | 0.636 | 68% | 0.681 | S | S | * | * | trans | -73.2 | 72.9 | 167.4 | -78.8 | -34 | 0 | 0 | 0 | 111.3 | E27 S33 | E27-N31 PolarHBondContact O-ND2 3.13Å; N31-S33 PolarHBondContact O-N 3.28Å | ||
| 32 | L | 33.5 | Very low | 33.4 | Very low | 152 Ų | 152 | 131.1 Ų | 131.1 | 80% | 0.796 | 69% | 0.688 | S | S | * | * | trans | -73.2 | 12.1 | 171 | -88.1 | 127.9 | 0 | 0 | 0 | 113.7 | F30 | F30-L32 HydrophobicContact CD1-CD1 4.31Å; F30-L32 PolarHBondContact O-N 2.97Å | ||
| 33 | S | 28.5 | Very low | 32.3 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 85% | 0.853 | 71% | 0.706 | S | S | * | * | trans | -116.4 | 64.4 | -177.4 | -62.4 | 0 | 0 | 0 | 0 | 112.1 | N31 | N31-S33 PolarHBondContact O-N 3.28Š| ||
| 34 | A | 29.2 | Very low | 32 | Very low | 86 Ų | 86 | 138.4 Ų | 138.4 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -145.2 | 129.1 | 155.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 35 | P | 28.5 | Very low | 31.5 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 79% | 0.792 | 72% | 0.723 | S | S | * | * | trans | -77.5 | 131.1 | -164.5 | -6.4 | 23.8 | 0 | 0 | 0 | 112.2 | A37 | P35-A37 PolarHBondContact O-N 3.28Š| ||
| 36 | S | 25.2 | Very low | 31.1 | Very low | 117 Ų | 117 | 142 Ų | 142 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | 25.2 | 79.6 | 149.1 | 66.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 37 | A | 28.8 | Very low | 30.7 | Very low | 99 Ų | 99 | 146.7 Ų | 146.7 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -102.6 | 101.8 | 153.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | P35 | P35-A37 PolarHBondContact O-N 3.28Š| ||
| 38 | H | 25.9 | Very low | 30.5 | Very low | 182 Ų | 182 | 148.5 Ų | 148.5 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -50 | 137.5 | 170.2 | -89.8 | -50 | 0 | 0 | 0 | 112.1 | ||||
| 39 | R | 25 | Very low | 30.6 | Very low | 228 Ų | 228 | 144.9 Ų | 144.9 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | 57.7 | 103.6 | 155.3 | -68.3 | -177.3 | 179.5 | -179.2 | 0.7 | 116.2 | ||||
| 40 | T | 27.6 | Very low | 30.5 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | -153.6 | 85.1 | 115.2 | -50.9 | 0 | 0 | 0 | 0 | 108.2 | A42 | T40-A42 HydrophobicContact CG2-CB 4.08Å; T40-A42 PolarHBondContact O-N 3.22Å; T40-A42 VanDerWaalsContact O-N 3.13Å | |||
| 41 | Q | 29.7 | Very low | 31 | Very low | 207 Ų | 207 | 139.4 Ų | 139.4 | 97% | 0.967 | 77% | 0.769 | S | S | * | * | trans | -82.5 | 76.1 | 167.5 | -157.1 | 172 | 30.5 | 0 | 0 | 106.7 | ||||
| 42 | A | 27.6 | Very low | 31.7 | Very low | 62 Ų | 62 | 140.4 Ų | 140.4 | 51% | 0.512 | 77% | 0.774 | S | S | . | * | trans | -153.9 | 122.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | T40 | T40-A42 HydrophobicContact CG2-CB 4.08Å; T40-A42 PolarHBondContact O-N 3.22Å; T40-A42 VanDerWaalsContact O-N 3.13Å | ||
| 43 | F | 28.3 | Very low | 31.9 | Very low | 180 Ų | 180 | 138.8 Ų | 138.8 | 79% | 0.789 | 77% | 0.767 | S | S | * | * | trans | 73.2 | 65.1 | 167.5 | -69.3 | -86.6 | 0 | 0 | 0 | 118.3 | S45 | F43-S45 VanDerWaalsContact C-N 3.33Å; F43-S45 WeakPolarHBondContact CD1-OG 3.47Å | ||
| 44 | L | 35.1 | Very low | 32.3 | Very low | 179 Ų | 179 | 136 Ų | 136 | 94% | 0.937 | 75% | 0.751 | S | S | * | * | trans | -91.6 | 82.5 | 130.8 | -70.6 | 173.4 | 0 | 0 | 0 | 106.6 | ||||
| 45 | S | 31.5 | Very low | 32.8 | Very low | 81 Ų | 81 | 135.1 Ų | 135.1 | 57% | 0.566 | 74% | 0.738 | S | S | * | * | trans | -56.9 | 143.8 | 164.9 | -79.7 | 0 | 0 | 0 | 0 | 109 | F43 K47 | F43-S45 VanDerWaalsContact C-N 3.33Å; F43-S45 WeakPolarHBondContact CD1-OG 3.47Å; S45-K47 PolarHBondContact O-N 3.38Å | ||
| 46 | D | 32.4 | Very low | 32.9 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 91% | 0.909 | 74% | 0.738 | S | S | * | * | trans | -47.7 | 61.8 | 173.7 | -59.8 | -52 | 0 | 0 | 0 | 114.3 | E48 | D46-E48 VanDerWaalsContact C-N 3.28Å; D46-E48 PolarHBondContact O-N 2.85Å; D46-E48 VanDerWaalsContact O-N 3.09Å | ||
| 47 | K | 31.9 | Very low | 33.3 | Very low | 182 Ų | 182 | 138.2 Ų | 138.2 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | -74.6 | 97.1 | 157 | -92 | -175.6 | 174 | -178.6 | 0 | 104.9 | S45 V49 | S45-K47 PolarHBondContact O-N 3.38Å; K47-V49 VanDerWaalsContact O-CG2 3.27Å; K47-V49 WeakPolarHBondContact O-CG2 3.35Å; K47-V49 PolarHBondContact O-N 3.28Å | ||
| 48 | E | 34.3 | Very low | 33.3 | Very low | 197 Ų | 197 | 139.1 Ų | 139.1 | 92% | 0.921 | 74% | 0.735 | S | S | * | * | trans | -46.2 | 92.5 | 160.1 | -143.6 | 172.7 | -175 | 0 | 0 | 107.8 | D46 N50 | D46-E48 VanDerWaalsContact C-N 3.28Å; D46-E48 PolarHBondContact O-N 2.85Å; D46-E48 VanDerWaalsContact O-N 3.09Å; E48-N50 PolarHBondContact O-N 3.13Å | ||
| 49 | V | 38.6 | Very low | 33.5 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | trans | -75.3 | 98 | -179 | -179.8 | 0 | 0 | 0 | 0 | 105.8 | K47 T51 | K47-V49 VanDerWaalsContact O-CG2 3.27Å; K47-V49 WeakPolarHBondContact O-CG2 3.35Å; K47-V49 PolarHBondContact O-N 3.28Å; V49-T51 PolarHBondContact O-N 2.89Å | ||
| 50 | N | 36.3 | Very low | 33.6 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 51% | 0.513 | 74% | 0.736 | S | S | . | * | trans | -62.4 | 101.1 | 171 | 179.3 | -1.7 | 0 | 0 | 0 | 109.1 | E48 N52 N53 | E48-N50 PolarHBondContact O-N 3.13Å; N50-N52 PolarHBondContact O-N 3.23Å; N50-N52 WeakPolarHBondContact OD1-CB 3.43Å; N50-N52 PolarHBondContact OD1-N 3.21Å; N50-N52 VanDerWaalsContact OD1-N 3.09Å; N50-N53 PolarHBondContact O-N 2.85Å | ||
| 51 | T | 45.6 | Very low | 33.7 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 63% | 0.632 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -1.1 | -177.9 | 51.9 | 0 | 0 | 0 | 0 | 114.2 | V49 N53 | V49-T51 PolarHBondContact O-N 2.89Å; T51-N53 VanDerWaalsContact C-N 3.29Å |
| 52 | N | 42 | Very low | 33.7 | Very low | 140 Ų | 140 | 139.8 Ų | 139.8 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -13 | 173.6 | -67.1 | -40.8 | 0 | 0 | 0 | 113.3 | N50 | N50-N52 PolarHBondContact O-N 3.23Å; N50-N52 WeakPolarHBondContact OD1-CB 3.43Å; N50-N52 PolarHBondContact OD1-N 3.21Å; N50-N52 VanDerWaalsContact OD1-N 3.09Å |
| 53 | N | 38 | Very low | 33.6 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 63% | 0.631 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -115.9 | 126 | 173.3 | -67.6 | 25.1 | 0 | 0 | 0 | 107.8 | N50 T51 | N50-N53 PolarHBondContact O-N 2.85Å; T51-N53 VanDerWaalsContact C-N 3.29Å |
| 54 | A | 36.3 | Very low | 33.6 | Very low | 65 Ų | 65 | 141.9 Ų | 141.9 | 54% | 0.537 | 74% | 0.742 | S | S | . | * | trans | -47.9 | 142.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V56 | A54-V56 PolarHBondContact O-N 3.16Å; A54-V56 VanDerWaalsContact O-N 3.09Å | ||
| 55 | P | 40.2 | Very low | 33.1 | Very low | 67 Ų | 67 | 139 Ų | 139 | 44% | 0.435 | 74% | 0.737 | S | S | . | * | trans | -59.2 | 119.3 | -176.5 | 22.6 | -31.6 | 0 | 0 | 0 | 110.3 | Y25 F57 | Y25-P55 HydrophobicContact CE1-CG 4.18Å; Y25-P55 WeakPolarHBondContact OH-CD 3.16Å; Y25-P55 VanDerWaalsContact OH-CG 3.24Å; Y25-P55 WeakPolarHBondContact OH-CG 3.42Å; P55-F57 PolarHBondContact O-N 3.04Å; P55-F57 VanDerWaalsContact O-N 3.14Å | ||
| 56 | V | 31.6 | Very low | 32.9 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | trans | -73.7 | 104.1 | 169.9 | -179.4 | 0 | 0 | 0 | 0 | 106.8 | A54 C58 | A54-V56 PolarHBondContact O-N 3.16Å; A54-V56 VanDerWaalsContact O-N 3.09Å; V56-C58 PolarHBondContact O-N 2.91Å | ||
| 57 | F | 33.7 | Very low | 32.7 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | -59 | 107.9 | 167.2 | -67.2 | -87.2 | 0 | 0 | 0 | 108.6 | P55 L59 | P55-F57 PolarHBondContact O-N 3.04Å; P55-F57 VanDerWaalsContact O-N 3.14Å; F57-L59 VanDerWaalsContact C-N 3.34Å; F57-L59 PolarHBondContact O-N 3.4Å | ||
| 58 | C | 28.3 | Very low | 32.6 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | -67.6 | 98.1 | 165 | -75 | 0 | 0 | 0 | 0 | 107.1 | V56 E60 | V56-C58 PolarHBondContact O-N 2.91Å; C58-E60 PolarHBondContact O-N 3.35Å | ||
| 59 | L | 29.6 | Very low | 32.3 | Very low | 154 Ų | 154 | 138.9 Ų | 138.9 | 81% | 0.806 | 74% | 0.743 | S | S | * | * | trans | -59 | 114.2 | 166.4 | -153.3 | 84.8 | 0 | 0 | 0 | 106.5 | F57 R61 | F57-L59 VanDerWaalsContact C-N 3.34Å; F57-L59 PolarHBondContact O-N 3.4Å; L59-R61 VanDerWaalsContact C-N 3.27Å; L59-R61 PolarHBondContact O-N 3.03Å | ||
| 60 | E | 26.3 | Very low | 31.9 | Very low | 196 Ų | 196 | 139.3 Ų | 139.3 | 92% | 0.916 | 75% | 0.749 | S | S | * | * | trans | -60 | 84.2 | -175.6 | -163.9 | -178.5 | -153.8 | 0 | 0 | 110.1 | C58 | C58-E60 PolarHBondContact O-N 3.35Š| ||
| 61 | R | 30.4 | Very low | 31.4 | Very low | 221 Ų | 221 | 141.7 Ų | 141.7 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | trans | -98.8 | 100.5 | 169.2 | -154.3 | -175.1 | -67.7 | 156 | -2.5 | 107 | L59 S63 | L59-R61 VanDerWaalsContact C-N 3.27Å; L59-R61 PolarHBondContact O-N 3.03Å; R61-S63 PolarHBondContact O-N 2.76Å | ||
| 62 | K | 29.1 | Very low | 30.5 | Very low | 190 Ų | 190 | 142.8 Ų | 142.8 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | trans | -1 | 102.3 | 161.4 | -87.4 | 159.8 | 170.4 | 168.9 | 0 | 114.1 | ||||
| 63 | S | 25.6 | Very low | 29.8 | Very low | 93 Ų | 93 | 143.9 Ų | 143.9 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | trans | 25.3 | 106.9 | 137 | 55.9 | 0 | 0 | 0 | 0 | 117.5 | R61 | R61-S63 PolarHBondContact O-N 2.76Š| ||
| 64 | H | 28.5 | Very low | 29.1 | Very low | 193 Ų | 193 | 149.7 Ų | 149.7 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | -141 | 108.4 | 128.3 | -76.9 | -62.7 | 0 | 0 | 0 | 108.7 | S66 | H64-S66 PolarHBondContact O-N 2.79Š| |||
| 65 | S | 24.6 | Very low | 28.7 | Very low | 118 Ų | 118 | 153.5 Ų | 153.5 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -63 | 116.8 | 168.3 | 169.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 66 | S | 28.7 | Very low | 28 | Very low | 111 Ų | 111 | 158.5 Ų | 158.5 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | -143.5 | 99 | 148.8 | 61.6 | 0 | 0 | 0 | 0 | 108.2 | H64 | H64-S66 PolarHBondContact O-N 2.79Š| ||
| 67 | R | 27.1 | Very low | 28.3 | Very low | 230 Ų | 230 | 157.2 Ų | 157.2 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | -47.2 | 137.4 | 152.2 | -66.2 | 177.7 | 174.7 | -156.7 | -2.7 | 107.5 | ||||
| 68 | L | 30 | Very low | 27.7 | Very low | 181 Ų | 181 | 155.1 Ų | 155.1 | 95% | 0.948 | 81% | 0.813 | S | S | * | * | trans | -168.9 | 141.5 | 140.5 | -97.5 | 168.6 | 0 | 0 | 0 | 110.8 | ||||
| 69 | S | 28 | Very low | 27.8 | Very low | 105 Ų | 105 | 155.1 Ų | 155.1 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | -59.6 | 158.3 | -169.5 | -151.5 | 0 | 0 | 0 | 0 | 115 | E71 | S69-E71 PolarHBondContact O-N 3.16Š| ||
| 70 | P | 29.8 | Very low | 27.3 | Very low | 122 Ų | 122 | 151.1 Ų | 151.1 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | -84.1 | 108.4 | 178.5 | 32.6 | -27.4 | 0 | 0 | 0 | 110.2 | ||||
| 71 | E | 26.4 | Very low | 27.5 | Very low | 147 Ų | 147 | 147.3 Ų | 147.3 | 69% | 0.687 | 80% | 0.802 | S | S | * | * | trans | -144.1 | 98.4 | 159.8 | -154.7 | 157.3 | 155.6 | 0 | 0 | 111.1 | S69 K73 | S69-E71 PolarHBondContact O-N 3.16Å; E71-K73 PolarHBondContact O-N 3.14Å; E71-K73 VanDerWaalsContact O-N 3.1Å; E71-K73 IonicContact OE1-NZ 2.81Å; E71-K73 PolarHBondContact OE1-NZ 2.8Å | ||
| 72 | S | 26.5 | Very low | 27.2 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -76.4 | 87.3 | 174.2 | 167.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 73 | K | 27.3 | Very low | 26.9 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 71% | 0.709 | 80% | 0.797 | S | S | * | * | trans | -112 | 121.4 | 159 | -77.7 | 174.7 | -178.2 | 146.5 | 0 | 109.4 | E71 | E71-K73 PolarHBondContact O-N 3.14Å; E71-K73 VanDerWaalsContact O-N 3.1Å; E71-K73 IonicContact OE1-NZ 2.81Å; E71-K73 PolarHBondContact OE1-NZ 2.8Å | ||
| 74 | R | 22.9 | Very low | 26.8 | Very low | 241 Ų | 241 | 139.9 Ų | 139.9 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -55.1 | 126.4 | 176.2 | -55.8 | 173.2 | -168.2 | 171 | 2.2 | 110.8 | ||||
| 75 | V | 29 | Very low | 26.8 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -154.9 | 123.4 | 149.5 | 175.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 76 | H | 24.1 | Very low | 26.8 | Very low | 171 Ų | 171 | 144.5 Ų | 144.5 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -65.8 | -178.9 | 163.1 | -93.4 | -92.6 | 0 | 0 | 0 | 111.8 | ||||
| 77 | P | 39.4 | Very low | 26.8 | Very low | 104 Ų | 104 | 146 Ų | 146 | 68% | 0.675 | 81% | 0.814 | S | S | * | * | cis | -132.2 | 175 | -28.9 | 33.1 | -13.5 | 0 | 0 | 0 | 113.3 | ||||
| 78 | C | 20.4 | Very low | 26.8 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | trans | 27.3 | 115 | 150.9 | -75.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 79 | S | 29.1 | Very low | 26.5 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | -150.1 | 109.1 | 141 | 23.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 80 | G | 19.3 | Very low | 26.8 | Very low | 69 Ų | 69 | 139.1 Ų | 139.1 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -77.2 | -176.8 | 144.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 81 | P | 31.7 | Very low | 26.7 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | cis | -138.5 | -166.2 | 18.7 | 38 | -17 | 0 | 0 | 0 | 114.3 | ||||
| 82 | S | 23.8 | Very low | 27.1 | Very low | 115 Ų | 115 | 142 Ų | 142 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 86.4 | 123.8 | 138.3 | 60.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 83 | G | 23.3 | Very low | 27.4 | Very low | 72 Ų | 72 | 142.6 Ų | 142.6 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | 136.3 | 81.8 | 132.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 84 | D | 22.4 | Very low | 27.5 | Very low | 160 Ų | 160 | 141 Ų | 141 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | -7 | 128.3 | 149 | -62.2 | -49.3 | 0 | 0 | 0 | 118.1 | ||||
| 85 | R | 28.3 | Very low | 28.1 | Very low | 248 Ų | 248 | 137.1 Ų | 137.1 | 94% | 0.936 | 79% | 0.793 | S | S | * | * | -160.2 | 115.3 | 128.6 | -112.8 | 173.3 | -172.1 | -160.5 | 2 | 112.7 | |||||
| 86 | L | 26.1 | Very low | 28.1 | Very low | 160 Ų | 160 | 137.3 Ų | 137.3 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -53.3 | 144.9 | 161.9 | -69 | 144.9 | 0 | 0 | 0 | 112.5 | ||||
| 87 | T | 27.9 | Very low | 28.1 | Very low | 143 Ų | 143 | 140 Ų | 140 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | 154 | 138.8 | 148.8 | 41.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 88 | N | 26.1 | Very low | 27.6 | Very low | 140 Ų | 140 | 140 Ų | 140 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | cis | -166.7 | 148 | -7.1 | -173.6 | 18.6 | 0 | 0 | 0 | 105.7 | ||||
| 89 | S | 25.8 | Very low | 27.8 | Very low | 73 Ų | 73 | 145.6 Ų | 145.6 | 51% | 0.51 | 80% | 0.795 | S | S | . | * | trans | 30.2 | 119.6 | 150.9 | 67.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 90 | N | 33.3 | Very low | 28 | Very low | 159 Ų | 159 | 146 Ų | 146 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | -177.8 | 121.2 | 102.3 | -86 | -20.2 | 0 | 0 | 0 | 112.1 | |||||
| 91 | N | 27.4 | Very low | 28.3 | Very low | 146 Ų | 146 | 147 Ų | 147 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | trans | -64.5 | 137.8 | 169.6 | -64.6 | -49 | 0 | 0 | 0 | 111.5 | ||||
| 92 | L | 35.2 | Very low | 28.2 | Very low | 184 Ų | 184 | 148.3 Ų | 148.3 | 96% | 0.963 | 79% | 0.789 | S | S | * | * | trans | -142.1 | 92.7 | 139.5 | -92.4 | 175.3 | 0 | 0 | 0 | 107.4 | ||||
| 93 | L | 32.9 | Very low | 28.2 | Very low | 137 Ų | 137 | 153.2 Ų | 153.2 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | trans | -89.7 | 128.5 | -179.1 | -146.3 | 112.8 | 0 | 0 | 0 | 109.1 | ||||
| 94 | N | 28.6 | Very low | 28.6 | Very low | 129 Ų | 129 | 155 Ų | 155 | 69% | 0.69 | 79% | 0.789 | S | S | * | * | trans | 54.4 | 97.2 | 146.2 | -65 | -12.9 | 0 | 0 | 0 | 119.9 | ||||
| 95 | I | 36.3 | Very low | 29 | Very low | 160 Ų | 160 | 154.7 Ų | 154.7 | 82% | 0.821 | 78% | 0.782 | S | S | * | * | trans | -93.6 | 103.7 | 141.7 | -61.2 | 177 | 0 | 0 | 0 | 107.1 | ||||
| 96 | L | 28.2 | Very low | 29.4 | Very low | 149 Ų | 149 | 153.4 Ų | 153.4 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | trans | -67.8 | 127.3 | 177.1 | -170 | 75 | 0 | 0 | 0 | 110.2 | ||||
| 97 | W | 25.8 | Very low | 29.5 | Very low | 226 Ų | 226 | 154.7 Ų | 154.7 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | -124.5 | 142.9 | 155.6 | -77.8 | 89.4 | 0 | 0 | 0 | 110 | ||||
| 98 | P | 28.7 | Very low | 29.5 | Very low | 104 Ų | 104 | 152 Ų | 152 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | trans | -87.9 | 138.6 | -147.2 | -9.1 | 28.3 | 0 | 0 | 0 | 113.3 | ||||
| 99 | R | 23.7 | Very low | 29.7 | Very low | 247 Ų | 247 | 151.8 Ų | 151.8 | 93% | 0.932 | 78% | 0.781 | S | S | * | * | trans | -91.1 | 110.7 | 169.5 | -175.4 | -177 | -169.8 | 171.7 | 2.7 | 108.4 | ||||
| 100 | T | 33.1 | Very low | 30.3 | Very low | 127 Ų | 127 | 155.7 Ų | 155.7 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -121.4 | 100.8 | 163.2 | 52.5 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 101 | S | 26.2 | Very low | 30 | Very low | 91 Ų | 91 | 159.8 Ų | 159.8 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | 57.9 | 120.4 | 72.7 | -142.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 102 | D | 30 | Very low | 30.2 | Very low | 144 Ų | 144 | 159.3 Ų | 159.3 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | 97.2 | 92.1 | 151.3 | -50.8 | -42.3 | 0 | 0 | 0 | 121 | ||||
| 103 | R | 22.1 | Very low | 29.9 | Very low | 218 Ų | 218 | 156.2 Ų | 156.2 | 82% | 0.823 | 79% | 0.79 | S | S | * | * | trans | -37.2 | 143 | 139 | -160.5 | -167.7 | 170.4 | 174.6 | -3.9 | 112 | ||||
| 104 | P | 32.8 | Very low | 29.9 | Very low | 111 Ų | 111 | 155 Ų | 155 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | -139.5 | 150.4 | 98.3 | 25.6 | -5.7 | 0 | 0 | 0 | 115.4 | |||||
| 105 | E | 29.7 | Very low | 30.1 | Very low | 153 Ų | 153 | 154.6 Ų | 154.6 | 72% | 0.715 | 80% | 0.798 | S | S | * | * | trans | 29.2 | 112.1 | 145.4 | -65.8 | 175.8 | 153.5 | 0 | 0 | 121.4 | ||||
| 106 | F | 37.8 | Very low | 29.9 | Very low | 220 Ų | 220 | 151.8 Ų | 151.8 | 97% | 0.965 | 79% | 0.792 | S | S | * | * | -146.3 | 85.5 | 129.6 | -95 | -78 | 0 | 0 | 0 | 108.5 | |||||
| 107 | E | 27.3 | Very low | 30 | Very low | 187 Ų | 187 | 153.2 Ų | 153.2 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -78.1 | 117.6 | 151.5 | -77.2 | -177.1 | 161.7 | 0 | 0 | 107.1 | ||||
| 108 | A | 28.8 | Very low | 30.4 | Very low | 88 Ų | 88 | 146.5 Ų | 146.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 158.5 | 138.7 | 133.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 109 | V | 30.8 | Very low | 30.7 | Very low | 134 Ų | 134 | 151.2 Ų | 151.2 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | 77.9 | 76.1 | 163.7 | -156.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 110 | L | 36.7 | Very low | 31.4 | Very low | 156 Ų | 156 | 147.4 Ų | 147.4 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | trans | -156.9 | 66 | 130.1 | -99.7 | 154.6 | 0 | 0 | 0 | 107.9 | N112 | L110-N112 VanDerWaalsContact C-N 3.34Å; L110-N112 PolarHBondContact O-N 3.18Å | ||
| 111 | R | 28.4 | Very low | 31.3 | Very low | 245 Ų | 245 | 146.3 Ų | 146.3 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | -68.7 | 98.3 | 153 | -90.5 | -170.5 | -178.7 | -175.7 | 1.6 | 106 | ||||
| 112 | N | 31.2 | Very low | 31.7 | Very low | 135 Ų | 135 | 148.1 Ų | 148.1 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | -140.6 | 89.3 | 155.5 | -89.6 | -16.6 | 0 | 0 | 0 | 107.9 | L110 S114 | L110-N112 VanDerWaalsContact C-N 3.34Å; L110-N112 PolarHBondContact O-N 3.18Å; N112-S114 PolarHBondContact O-N 2.78Å | ||
| 113 | S | 28.3 | Very low | 31.6 | Very low | 120 Ų | 120 | 151 Ų | 151 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | 18.7 | 96.9 | 145.1 | -48.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 114 | S | 33 | Very low | 32.1 | Very low | 110 Ų | 110 | 145.7 Ų | 145.7 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -142.9 | 138.4 | 149.3 | -75.8 | 0 | 0 | 0 | 0 | 107.9 | N112 S116 | N112-S114 PolarHBondContact O-N 2.78Å; S114-S116 PolarHBondContact O-N 2.86Å; S114-S116 VanDerWaalsContact O-N 3.14Å | ||
| 115 | P | 32.4 | Very low | 32.3 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | trans | -74.1 | 112.1 | -155.5 | 29.1 | -33 | 0 | 0 | 0 | 110.9 | L117 | P115-L117 PolarHBondContact O-N 3.25Å; P115-L117 VanDerWaalsContact O-N 3.15Å | ||
| 116 | S | 31.9 | Very low | 32.4 | Very low | 100 Ų | 100 | 146.3 Ų | 146.3 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | trans | -68.7 | 107.2 | 163 | 55.2 | 0 | 0 | 0 | 0 | 108.6 | S114 S118 | S114-S116 PolarHBondContact O-N 2.86Å; S114-S116 VanDerWaalsContact O-N 3.14Å; S116-S118 VanDerWaalsContact C-N 3.3Å; S116-S118 PolarHBondContact O-N 3.36Å | ||
| 117 | L | 32.1 | Very low | 32.1 | Very low | 179 Ų | 179 | 140.8 Ų | 140.8 | 94% | 0.937 | 80% | 0.795 | S | S | * | * | trans | -61 | 86.1 | 170.1 | -77.1 | 157.4 | 0 | 0 | 0 | 110.3 | P115 | P115-L117 PolarHBondContact O-N 3.25Å; P115-L117 VanDerWaalsContact O-N 3.15Å | ||
| 118 | S | 32.9 | Very low | 32.4 | Very low | 85 Ų | 85 | 141.3 Ų | 141.3 | 59% | 0.594 | 79% | 0.794 | S | S | * | * | trans | -129.3 | 67.2 | 169.8 | 64 | 0 | 0 | 0 | 0 | 110.3 | S116 | S116-S118 VanDerWaalsContact C-N 3.3Å; S116-S118 PolarHBondContact O-N 3.36Å | ||
| 119 | F | 35.4 | Very low | 32.6 | Very low | 203 Ų | 203 | 142.3 Ų | 142.3 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | -138.4 | 64.7 | 163.2 | -74.6 | -77.4 | 0 | 0 | 0 | 109.9 | ||||
| 120 | L | 37.7 | Very low | 32.6 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 88% | 0.88 | 79% | 0.794 | S | S | * | * | trans | -96.9 | 90.6 | 145.9 | -144.1 | 76.1 | 0 | 0 | 0 | 106.3 | T122 | L120-T122 PolarHBondContact O-N 3.45Š| ||
| 121 | S | 32.3 | Very low | 32.3 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | -47.9 | 109.4 | 174.8 | -175.1 | 0 | 0 | 0 | 0 | 109.6 | Y123 | S121-Y123 PolarHBondContact O-N 2.75Š| ||
| 122 | T | 34.5 | Very low | 32.4 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 118.2 | 167.4 | -51.6 | 0 | 0 | 0 | 0 | 106.1 | L120 | L120-T122 PolarHBondContact O-N 3.45Š|
| 123 | Y | 28.1 | Very low | 32.3 | Very low | 206 Ų | 206 | 137.4 Ų | 137.4 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 130 | 174.9 | -94.6 | -97.7 | 0 | 0 | 0 | 110.5 | S121 S125 | S121-Y123 PolarHBondContact O-N 2.75Å; Y123-S125 PolarHBondContact O-N 2.81Å |
| 124 | P | 32 | Very low | 32.7 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 69% | 0.688 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 116.1 | 174.6 | 27.2 | -29.3 | 0 | 0 | 0 | 108.3 | D126 | P124-D126 PolarHBondContact O-N 3.37Š|
| 125 | S | 37 | Very low | 32.6 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -74.1 | 110.4 | 163.5 | -68.2 | 0 | 0 | 0 | 0 | 107.4 | Y123 S127 | Y123-S125 PolarHBondContact O-N 2.81Å; S125-S127 PolarHBondContact O-N 2.97Å | ||
| 126 | D | 31.3 | Very low | 32.6 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -54.6 | 130.9 | 177.2 | -82.6 | -40.7 | 0 | 0 | 0 | 111.8 | P124 | P124-D126 PolarHBondContact O-N 3.37Š| ||
| 127 | S | 31.1 | Very low | 32.6 | Very low | 104 Ų | 104 | 145.9 Ų | 145.9 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -48.9 | 132.8 | 169.2 | 50.4 | 0 | 0 | 0 | 0 | 114.2 | S125 | S125-S127 PolarHBondContact O-N 2.97Š| ||
| 128 | K | 34.8 | Very low | 32.6 | Very low | 198 Ų | 198 | 144.5 Ų | 144.5 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | -143.4 | 90.6 | 141.6 | -103.7 | 178.9 | -176.3 | 176.4 | 0 | 110.2 | ||||
| 129 | T | 32.4 | Very low | 32.6 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 68% | 0.675 | 80% | 0.801 | S | S | * | * | trans | 41.1 | 106.3 | 130.7 | 57.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 130 | H | 32.1 | Very low | 32.4 | Very low | 184 Ų | 184 | 143.3 Ų | 143.3 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | 167.5 | 142.7 | 98.4 | -102.3 | -73.3 | 0 | 0 | 0 | 113 | |||||
| 131 | S | 29.4 | Very low | 32.3 | Very low | 104 Ų | 104 | 140 Ų | 140 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | 82.3 | 93.3 | 153.3 | -145.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 132 | C | 30.5 | Very low | 32.2 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -62 | 130.4 | 148.5 | -65.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 133 | D | 30 | Very low | 32.1 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -139.9 | 105.8 | 153.2 | -131.6 | -22.5 | 0 | 0 | 0 | 108.8 | ||||
| 134 | P | 35.4 | Very low | 32.5 | Very low | 105 Ų | 105 | 140 Ų | 140 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | trans | -97.3 | 95.9 | 179.8 | 33.9 | -24.5 | 0 | 0 | 0 | 108.9 | ||||
| 135 | K | 30.4 | Very low | 32.7 | Very low | 195 Ų | 195 | 145 Ų | 145 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | 177.1 | 95.2 | 159.1 | -99 | 148.1 | -174.3 | 179.6 | 0 | 111.3 | ||||
| 136 | S | 32.6 | Very low | 32.4 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | -148 | 91.9 | 143.9 | 58.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 137 | Y | 32.6 | Very low | 33 | Very low | 206 Ų | 206 | 143.6 Ų | 143.6 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | -61.8 | 144.5 | 158.6 | -79.1 | -93.3 | 0 | 0 | 0 | 109.3 | ||||
| 138 | L | 32.7 | Very low | 33.3 | Very low | 151 Ų | 151 | 144.5 Ų | 144.5 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | 67.9 | 87.6 | 155.4 | -58.8 | 164.5 | 0 | 0 | 0 | 116.7 | ||||
| 139 | N | 31.4 | Very low | 33.6 | Very low | 161 Ų | 161 | 142 Ų | 142 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -139.5 | 92.2 | 134.3 | -92.7 | -39.9 | 0 | 0 | 0 | 109.3 | S141 | N139-S141 PolarHBondContact O-N 2.96Š| ||
| 140 | A | 32 | Very low | 34.3 | Very low | 101 Ų | 101 | 140.6 Ų | 140.6 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -68.5 | 97.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 141 | S | 36 | Very low | 35.1 | Very low | 99 Ų | 99 | 139.2 Ų | 139.2 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | trans | -121.6 | 86.5 | 163.8 | -66.7 | 0 | 0 | 0 | 0 | 108.4 | N139 S143 | N139-S141 PolarHBondContact O-N 2.96Å; S141-S143 PolarHBondContact O-N 2.79Å | ||
| 142 | Q | 29.7 | Very low | 36 | Very low | 182 Ų | 182 | 140.2 Ų | 140.2 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | 25.5 | 97.6 | 140.9 | -68.8 | 175.5 | -14.2 | 0 | 0 | 116.1 | ||||
| 143 | S | 33.7 | Very low | 37.1 | Very low | 99 Ų | 99 | 143.4 Ų | 143.4 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | -133 | 85.4 | 136.2 | -165 | 0 | 0 | 0 | 0 | 106.8 | S141 R145 | S141-S143 PolarHBondContact O-N 2.79Å; S143-R145 PolarHBondContact O-N 2.5Å | ||
| 144 | I | 36.2 | Very low | 38.5 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | trans | -64.4 | 80.1 | 154.9 | -62.3 | 167 | 0 | 0 | 0 | 104.2 | ||||
| 145 | R | 35 | Very low | 40 | Very low | 213 Ų | 213 | 140.7 Ų | 140.7 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -101 | 103 | 169.6 | -148.7 | -179.8 | -168.4 | -176.7 | 3.5 | 104.2 | S143 P147 | S143-R145 PolarHBondContact O-N 2.5Å; R145-P147 WeakPolarHBondContact O-CD 3.25Å | ||
| 146 | D | 30.4 | Very low | 42 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 67% | 0.674 | 75% | 0.753 | S | S | * | * | trans | -35.6 | 109.2 | 175.7 | -67.9 | -60.2 | 0 | 0 | 0 | 111 | N148 | D146-N148 PolarHBondContact O-N 3.43Š| ||
| 147 | P | 44.3 | Very low | 44.2 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | trans | -82.3 | 46.7 | 170.6 | 35.8 | -32.6 | 0 | 0 | 0 | 108.4 | R145 | R145-P147 WeakPolarHBondContact O-CD 3.25Š| ||
| 148 | N | 37.3 | Very low | 46.9 | Very low | 123 Ų | 123 | 126.1 Ų | 126.1 | 66% | 0.658 | 72% | 0.718 | S | S | * | * | trans | -136.3 | 59.3 | -172.8 | -75.2 | -35.2 | 0 | 0 | 0 | 110 | D146 | D146-N148 PolarHBondContact O-N 3.43Š| ||
| 149 | T | 41.5 | Very low | 49.7 | Very low | 144 Ų | 144 | 123.5 Ų | 123.5 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -179.4 | 135.4 | 139.7 | 17.7 | 0 | 0 | 0 | 0 | 111.2 | ||
| 150 | A | 46.5 | Very low | 52.6 | Low | 82 Ų | 82 | 118.4 Ų | 118.4 | 68% | 0.678 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 73.4 | 77.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 151 | N | 50.2 | Low | 55.4 | Low | 155 Ų | 155 | 115.8 Ų | 115.8 | 83% | 0.829 | 65% | 0.653 | S | S | * | * | -176 | 37.7 | 118.9 | -83.7 | -18.3 | 0 | 0 | 0 | 112 | K153 | N151-K153 PolarHBondContact O-N 2.87Å; N151-K153 VanDerWaalsContact O-N 3.14Å | |||
| 152 | S | 47.2 | Very low | 58.1 | Low | 125 Ų | 125 | 117.7 Ų | 117.7 | 87% | 0.874 | 65% | 0.651 | S | S | * | * | trans | -77.2 | 25 | 159.6 | 50.5 | 0 | 0 | 0 | 0 | 111.7 | S154 | S152-S154 PolarHBondContact O-N 2.81Š| ||
| 153 | K | 54.9 | Low | 61.1 | Low | 190 Ų | 190 | 113.4 Ų | 113.4 | 83% | 0.826 | 63% | 0.632 | S | S | * | * | trans | -72.6 | 85.8 | 175.2 | -150.2 | 164.9 | -174.3 | 174.9 | 0 | 107.7 | N151 | N151-K153 PolarHBondContact O-N 2.87Å; N151-K153 VanDerWaalsContact O-N 3.14Å | ||
| 154 | S | 57.8 | Low | 63.9 | Low | 50 Ų | 50 | 113.8 Ų | 113.8 | 35% | 0.35 | 62% | 0.619 | S | S | . | * | trans | 57.8 | 79.3 | 154.3 | 58.4 | 0 | 0 | 0 | 0 | 116.5 | S152 A156 H157 G158 | S152-S154 PolarHBondContact O-N 2.81Å; S154-A156 PolarHBondContact O-N 3.22Å; S154-H157 VanDerWaalsContact CB-CB 3.49Å; S154-H157 PolarHBondContact O-N 3.08Å; S154-H157 WeakPolarHBondContact OG-CB 3.41Å; S154-G158 PolarHBondContact O-N 3.17Å; S154-G158 VanDerWaalsContact O-N 3.14Å | ||
| 155 | H | 67.3 | Low | 66.6 | Low | 152 Ų | 152 | 113.9 Ų | 113.9 | 70% | 0.704 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -47.5 | -39.3 | 156.8 | -177.3 | 61.8 | 0 | 0 | 0 | 111.4 | H157 G158 Q159 | H155-H157 PolarHBondContact O-N 3.19Å; H155-G158 PolarHBondContact O-N 3.15Å; H155-Q159 PolarHBondContact NE2-NE2 3.02Å; H155-Q159 WeakPolarHBondContact O-CG 3.48Å; H155-Q159 PolarHBondContact O-N 3Å |
| 156 | A | 73.5 | Confident | 69.4 | Low | 68 Ų | 68 | 106.5 Ų | 106.5 | 56% | 0.562 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.7 | -37.3 | 174 | 0 | 0 | 0 | 0 | 0 | 114.1 | S154 Q159 A160 | S154-A156 PolarHBondContact O-N 3.22Å; A156-Q159 PolarHBondContact O-N 3.06Å; A156-A160 WeakPolarHBondContact O-CB 3.33Å; A156-A160 PolarHBondContact O-N 3.41Å |
| 157 | H | 78.8 | Confident | 72.4 | Confident | 109 Ų | 109 | 108.5 Ų | 108.5 | 51% | 0.505 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -71.9 | -36 | 176.2 | -172.3 | 67.4 | 0 | 0 | 0 | 111.4 | S154 H155 A160 E161 | S154-H157 VanDerWaalsContact CB-CB 3.49Å; S154-H157 PolarHBondContact O-N 3.08Å; S154-H157 WeakPolarHBondContact OG-CB 3.41Å; H155-H157 PolarHBondContact O-N 3.19Å; H157-A160 PolarHBondContact O-N 3.21Å; H157-E161 WeakPolarHBondContact O-CB 3.44Å; H157-E161 PolarHBondContact O-N 3.3Å |
| 158 | G | 89.4 | Confident | 74.7 | Confident | 42 Ų | 42 | 106.5 Ų | 106.5 | 43% | 0.433 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.4 | -44.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S154 H155 E161 Q162 | S154-G158 PolarHBondContact O-N 3.17Å; S154-G158 VanDerWaalsContact O-N 3.14Å; H155-G158 PolarHBondContact O-N 3.15Å; G158-E161 PolarHBondContact O-N 3.28Å; G158-Q162 WeakPolarHBondContact O-CB 3.2Å; G158-Q162 PolarHBondContact O-N 3.36Å |
| 159 | Q | 91.5 | Very high | 77.3 | Confident | 97 Ų | 97 | 103.6 Ų | 103.6 | 45% | 0.453 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.5 | -47.8 | 175.1 | -71.4 | -174.3 | -11.6 | 0 | 0 | 112.2 | H155 A156 E161 Q162 I163 | H155-Q159 PolarHBondContact NE2-NE2 3.02Å; H155-Q159 WeakPolarHBondContact O-CG 3.48Å; H155-Q159 PolarHBondContact O-N 3Å; A156-Q159 PolarHBondContact O-N 3.06Å; Q159-E161 VanDerWaalsContact C-N 3.31Å; Q159-E161 PolarHBondContact O-N 2.88Å; Q159-Q162 PolarHBondContact O-N 3.27Å; Q159-Q162 VanDerWaalsContact O-N 3.16Å; Q159-I163 WeakPolarHBondContact O-CG1 3.29Å; Q159-I163 PolarHBondContact O-N 3.18Å |
| 160 | A | 90.7 | Very high | 79.7 | Confident | 53 Ų | 53 | 101.7 Ų | 101.7 | 44% | 0.438 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | A156 H157 I163 R164 | A156-A160 WeakPolarHBondContact O-CB 3.33Å; A156-A160 PolarHBondContact O-N 3.41Å; H157-A160 PolarHBondContact O-N 3.21Å; A160-I163 PolarHBondContact O-N 3.09Å; A160-R164 WeakPolarHBondContact O-CB 3.45Å; A160-R164 PolarHBondContact O-N 3.41Å |
| 161 | E | 92 | Very high | 81.9 | Confident | 47 Ų | 47 | 101.3 Ų | 101.3 | 22% | 0.22 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -65.5 | -40 | 174.6 | 174.5 | 62 | -178 | 0 | 0 | 112.1 | H157 G158 Q159 R164 R165 | H157-E161 WeakPolarHBondContact O-CB 3.44Å; H157-E161 PolarHBondContact O-N 3.3Å; G158-E161 PolarHBondContact O-N 3.28Å; Q159-E161 VanDerWaalsContact C-N 3.31Å; Q159-E161 PolarHBondContact O-N 2.88Å; E161-R164 PolarHBondContact O-N 3.05Å; E161-R164 IonicContact OE2-CZ 3.99Å; E161-R164 IonicContact OE2-NE 3.32Å; E161-R164 PolarHBondContact OE2-NE 2.91Å; E161-R164 IonicContact OE2-NH2 3.46Å; E161-R164 PolarHBondContact OE2-NH2 3.37Å; E161-R165 WeakPolarHBondContact O-CG 3.35Å; E161-R165 PolarHBondContact O-N 3.39Å; E161-R165 IonicContact OE1-CZ 2.8Å; E161-R165 VanDerWaalsContact OE1-CZ 3.25Å; E161-R165 IonicContact OE1-NE 2.57Å; E161-R165 PolarHBondContact OE1-NE 3.37Å; E161-R165 IonicContact OE1-NH2 3.57Å; E161-R165 PolarHBondContact OE1-NH2 2.89Å |
| 162 | Q | 93.1 | Very high | 83.9 | Confident | 139 Ų | 139 | 95.1 Ų | 95.1 | 65% | 0.65 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.1 | -43.7 | 176.8 | -173.4 | 174.3 | 9.7 | 0 | 0 | 111.7 | G158 Q159 R164 R165 S166 | G158-Q162 WeakPolarHBondContact O-CB 3.2Å; G158-Q162 PolarHBondContact O-N 3.36Å; Q159-Q162 PolarHBondContact O-N 3.27Å; Q159-Q162 VanDerWaalsContact O-N 3.16Å; Q162-R164 VanDerWaalsContact C-N 3.31Å; Q162-R164 PolarHBondContact O-N 3.5Å; Q162-R165 PolarHBondContact O-N 3.39Å; Q162-S166 PolarHBondContact O-N 3.45Å; Q162-S166 PolarHBondContact O-OG 2.95Å |
| 163 | I | 92.5 | Very high | 85.9 | Confident | 91 Ų | 91 | 92.6 Ų | 92.6 | 47% | 0.467 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 174.8 | -66.4 | 165.4 | 0 | 0 | 0 | 110.6 | Q159 A160 S166 R167 | Q159-I163 WeakPolarHBondContact O-CG1 3.29Å; Q159-I163 PolarHBondContact O-N 3.18Å; A160-I163 PolarHBondContact O-N 3.09Å; I163-S166 WeakPolarHBondContact CA-OG 3.41Å; I163-S166 PolarHBondContact O-N 2.78Å; I163-S166 PolarHBondContact O-OG 3.32Å; I163-R167 HydrophobicContact CG2-CG 4.48Å; I163-R167 WeakPolarHBondContact O-CB 3.49Å; I163-R167 WeakPolarHBondContact O-CG 3.41Å; I163-R167 PolarHBondContact O-N 2.83Å |
| 164 | R | 92.7 | Very high | 87.7 | Confident | 108 Ų | 108 | 88.3 Ų | 88.3 | 41% | 0.408 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 175.2 | 171.4 | 167.8 | 48.9 | -161.2 | -11 | 111.8 | A160 E161 Q162 S166 R167 E168 | A160-R164 WeakPolarHBondContact O-CB 3.45Å; A160-R164 PolarHBondContact O-N 3.41Å; E161-R164 PolarHBondContact O-N 3.05Å; E161-R164 IonicContact OE2-CZ 3.99Å; E161-R164 IonicContact OE2-NE 3.32Å; E161-R164 PolarHBondContact OE2-NE 2.91Å; E161-R164 IonicContact OE2-NH2 3.46Å; E161-R164 PolarHBondContact OE2-NH2 3.37Å; Q162-R164 VanDerWaalsContact C-N 3.31Å; Q162-R164 PolarHBondContact O-N 3.5Å; R164-S166 VanDerWaalsContact C-N 3.35Å; R164-S166 PolarHBondContact O-N 3.24Å; R164-R167 PolarHBondContact O-N 3.23Å; R164-E168 WeakPolarHBondContact O-CB 3.41Å; R164-E168 PolarHBondContact O-N 3.32Å |
| 165 | R | 91.8 | Very high | 89.3 | Confident | 157 Ų | 157 | 87.7 Ų | 87.7 | 59% | 0.592 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.9 | -37.5 | 177.6 | -71.7 | 179.3 | -174.1 | -132.8 | -4.2 | 112.5 | E161 Q162 S169 | E161-R165 WeakPolarHBondContact O-CG 3.35Å; E161-R165 PolarHBondContact O-N 3.39Å; E161-R165 IonicContact OE1-CZ 2.8Å; E161-R165 VanDerWaalsContact OE1-CZ 3.25Å; E161-R165 IonicContact OE1-NE 2.57Å; E161-R165 PolarHBondContact OE1-NE 3.37Å; E161-R165 IonicContact OE1-NH2 3.57Å; E161-R165 PolarHBondContact OE1-NH2 2.89Å; Q162-R165 PolarHBondContact O-N 3.39Å; R165-S169 WeakPolarHBondContact O-CB 3.08Å; R165-S169 PolarHBondContact O-N 2.94Å |
| 166 | S | 93.4 | Very high | 90.3 | Very high | 59 Ų | 59 | 82.5 Ų | 82.5 | 41% | 0.413 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.4 | -45.9 | 177.5 | 69 | 0 | 0 | 0 | 0 | 111.2 | Q162 I163 R164 E168 S169 I170 | Q162-S166 PolarHBondContact O-N 3.45Å; Q162-S166 PolarHBondContact O-OG 2.95Å; I163-S166 WeakPolarHBondContact CA-OG 3.41Å; I163-S166 PolarHBondContact O-N 2.78Å; I163-S166 PolarHBondContact O-OG 3.32Å; R164-S166 VanDerWaalsContact C-N 3.35Å; R164-S166 PolarHBondContact O-N 3.24Å; S166-E168 PolarHBondContact O-N 3.47Å; S166-S169 WeakPolarHBondContact O-CB 3.21Å; S166-S169 PolarHBondContact O-N 2.63Å; S166-I170 WeakPolarHBondContact O-CG1 3.46Å; S166-I170 PolarHBondContact O-N 3.23Å |
| 167 | R | 95 | Very high | 91.1 | Very high | 168 Ų | 168 | 81.8 Ų | 81.8 | 63% | 0.634 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -58.2 | -48.4 | 174 | -73.8 | 178.6 | 174 | -171.9 | -3.4 | 111.8 | I163 R164 S169 I170 T171 | I163-R167 HydrophobicContact CG2-CG 4.48Å; I163-R167 WeakPolarHBondContact O-CB 3.49Å; I163-R167 WeakPolarHBondContact O-CG 3.41Å; I163-R167 PolarHBondContact O-N 2.83Å; R164-R167 PolarHBondContact O-N 3.23Å; R167-S169 VanDerWaalsContact C-N 3.31Å; R167-S169 PolarHBondContact O-N 2.77Å; R167-I170 PolarHBondContact O-N 3.3Å; R167-T171 PolarHBondContact O-N 2.94Å; R167-T171 PolarHBondContact O-OG1 3.37Å; R167-T171 VanDerWaalsContact O-OG1 3.09Å |
| 168 | E | 92.1 | Very high | 91.7 | Very high | 77 Ų | 77 | 82.8 Ų | 82.8 | 36% | 0.36 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 176.9 | -164.2 | -157.7 | 156.7 | 0 | 0 | 111.4 | R164 S166 I170 T171 F172 K209 | R164-E168 WeakPolarHBondContact O-CB 3.41Å; R164-E168 PolarHBondContact O-N 3.32Å; S166-E168 PolarHBondContact O-N 3.47Å; E168-I170 PolarHBondContact O-N 3.3Å; E168-T171 PolarHBondContact O-N 2.89Å; E168-F172 HydrophobicContact CG-CD2 3.81Å; E168-F172 HydrophobicContact CG-CE2 3.68Å; E168-F172 VanDerWaalsContact O-CD2 3.23Å; E168-F172 WeakPolarHBondContact O-CD2 3.47Å; E168-F172 PolarHBondContact O-N 2.97Å; E168-F172 VanDerWaalsContact OE1-CE2 3.31Å; E168-F172 WeakPolarHBondContact OE1-CE2 3.41Å; E168-K209 IonicContact OE1-NZ 3.88Å; E168-K209 PolarHBondContact OE1-NZ 2.82Å; E168-K209 IonicContact OE2-NZ 3.92Å; E168-K209 PolarHBondContact OE2-NZ 2.8Å |
| 169 | S | 90.9 | Very high | 91.6 | Very high | 63 Ų | 63 | 81 Ų | 81 | 44% | 0.441 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 176.3 | -168.3 | 0 | 0 | 0 | 0 | 112 | R165 S166 R167 F172 S173 | R165-S169 WeakPolarHBondContact O-CB 3.08Å; R165-S169 PolarHBondContact O-N 2.94Å; S166-S169 WeakPolarHBondContact O-CB 3.21Å; S166-S169 PolarHBondContact O-N 2.63Å; R167-S169 VanDerWaalsContact C-N 3.31Å; R167-S169 PolarHBondContact O-N 2.77Å; S169-F172 PolarHBondContact O-N 3.3Å; S169-S173 WeakPolarHBondContact O-CB 3.32Å; S169-S173 PolarHBondContact O-N 3.4Å; S169-S173 PolarHBondContact O-OG 3.36Å; S169-S173 VanDerWaalsContact O-OG 3.09Å |
| 170 | I | 93.2 | Very high | 91.4 | Very high | 103 Ų | 103 | 79.6 Ų | 79.6 | 53% | 0.528 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.2 | -47.5 | 177.2 | -67.4 | 163.2 | 0 | 0 | 0 | 110.1 | S166 R167 E168 F172 S173 L174 | S166-I170 WeakPolarHBondContact O-CG1 3.46Å; S166-I170 PolarHBondContact O-N 3.23Å; R167-I170 PolarHBondContact O-N 3.3Å; E168-I170 PolarHBondContact O-N 3.3Å; I170-F172 VanDerWaalsContact C-N 3.35Å; I170-F172 PolarHBondContact O-N 3.49Å; I170-S173 PolarHBondContact O-N 2.94Å; I170-L174 HydrophobicContact CG2-CD1 4.17Å; I170-L174 WeakPolarHBondContact O-CG 3.37Å; I170-L174 PolarHBondContact O-N 2.97Å |
| 171 | T | 91.7 | Very high | 91.3 | Very high | 75 Ų | 75 | 81.8 Ų | 81.8 | 46% | 0.46 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.3 | -44.4 | 178.1 | -54.9 | 0 | 0 | 0 | 0 | 111.8 | R167 E168 L174 I175 | R167-T171 PolarHBondContact O-N 2.94Å; R167-T171 PolarHBondContact O-OG1 3.37Å; R167-T171 VanDerWaalsContact O-OG1 3.09Å; E168-T171 PolarHBondContact O-N 2.89Å; T171-L174 PolarHBondContact O-N 3.32Å; T171-I175 HydrophobicContact CG2-CD1 4.06Å; T171-I175 VanDerWaalsContact O-CG1 3.31Å; T171-I175 WeakPolarHBondContact O-CG1 3.44Å; T171-I175 PolarHBondContact O-N 3.18Å |
| 172 | F | 91.4 | Very high | 91 | Very high | 24 Ų | 24 | 83.7 Ų | 83.7 | 11% | 0.105 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -68.3 | -35.9 | 177.8 | -84.4 | -69.2 | 0 | 0 | 0 | 113.2 | E168 S169 I170 L174 I175 D176 K209 L213 | E168-F172 HydrophobicContact CG-CD2 3.81Å; E168-F172 HydrophobicContact CG-CE2 3.68Å; E168-F172 VanDerWaalsContact O-CD2 3.23Å; E168-F172 WeakPolarHBondContact O-CD2 3.47Å; E168-F172 PolarHBondContact O-N 2.97Å; E168-F172 VanDerWaalsContact OE1-CE2 3.31Å; E168-F172 WeakPolarHBondContact OE1-CE2 3.41Å; S169-F172 PolarHBondContact O-N 3.3Å; I170-F172 VanDerWaalsContact C-N 3.35Å; I170-F172 PolarHBondContact O-N 3.49Å; F172-L174 VanDerWaalsContact C-N 3.32Å; F172-I175 HydrophobicContact CD1-CD1 4.32Å; F172-I175 HydrophobicContact CE1-CD1 4.5Å; F172-I175 PolarHBondContact O-N 3.5Å; F172-D176 WeakPolarHBondContact O-CB 3.3Å; F172-D176 PolarHBondContact O-N 3.47Å; F172-K209 HydrophobicContact CD1-CB 4.03Å; F172-K209 HydrophobicContact CD1-CD 4.49Å; F172-K209 HydrophobicContact CD1-CG 3.8Å; F172-K209 HydrophobicContact CD2-CD 3.65Å; F172-K209 VanDerWaalsContact CD2-CE 3.5Å; F172-K209 HydrophobicContact CD2-CG 3.85Å; F172-K209 HydrophobicContact CE1-CB 3.61Å; F172-K209 HydrophobicContact CE1-CD 4.43Å; F172-K209 HydrophobicContact CE1-CG 3.86Å; F172-K209 HydrophobicContact CE2-CB 4.21Å; F172-K209 HydrophobicContact CE2-CD 3.59Å; F172-K209 HydrophobicContact CE2-CG 3.93Å; F172-K209 HydrophobicContact CG-CB 4.49Å; F172-K209 HydrophobicContact CG-CD 4.13Å; F172-K209 HydrophobicContact CG-CG 3.81Å; F172-K209 HydrophobicContact CZ-CB 3.72Å; F172-K209 HydrophobicContact CZ-CD 4Å; F172-K209 HydrophobicContact CZ-CG 3.93Å; F172-L213 HydrophobicContact CE1-CD1 4.31Å; F172-L213 HydrophobicContact CE1-CD2 4.09Å; F172-L213 HydrophobicContact CE1-CG 3.87Å; F172-L213 HydrophobicContact CZ-CD1 4.02Å; F172-L213 HydrophobicContact CZ-CD2 4.24Å; F172-L213 HydrophobicContact CZ-CG 4.07Å |
| 173 | S | 89.7 | Confident | 90.6 | Very high | 72 Ų | 72 | 81.5 Ų | 81.5 | 50% | 0.503 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 172.6 | -67.8 | 0 | 0 | 0 | 0 | 111.8 | S169 I170 D176 S177 | S169-S173 WeakPolarHBondContact O-CB 3.32Å; S169-S173 PolarHBondContact O-N 3.4Å; S169-S173 PolarHBondContact O-OG 3.36Å; S169-S173 VanDerWaalsContact O-OG 3.09Å; I170-S173 PolarHBondContact O-N 2.94Å; S173-D176 PolarHBondContact O-N 2.83Å; S173-S177 PolarHBondContact O-N 3.46Å; S173-S177 PolarHBondContact O-OG 3.49Å |
| 174 | L | 92.7 | Very high | 90.3 | Very high | 101 Ų | 101 | 79.3 Ų | 79.3 | 53% | 0.529 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 175 | -71.2 | 170.3 | 0 | 0 | 0 | 112.4 | I170 T171 F172 D176 S177 Q178 | I170-L174 HydrophobicContact CG2-CD1 4.17Å; I170-L174 WeakPolarHBondContact O-CG 3.37Å; I170-L174 PolarHBondContact O-N 2.97Å; T171-L174 PolarHBondContact O-N 3.32Å; F172-L174 VanDerWaalsContact C-N 3.32Å; L174-D176 VanDerWaalsContact C-N 3.34Å; L174-S177 WeakPolarHBondContact CA-OG 3.39Å; L174-S177 PolarHBondContact O-N 3.21Å; L174-S177 PolarHBondContact O-OG 3.12Å; L174-Q178 WeakPolarHBondContact O-CG 3.21Å; L174-Q178 PolarHBondContact O-N 2.97Å |
| 175 | I | 90.7 | Very high | 90.1 | Very high | 36 Ų | 36 | 76 Ų | 76 | 19% | 0.185 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 174.7 | -68.1 | 166 | 0 | 0 | 0 | 109.9 | T171 F172 S177 Q178 L179 N212 V216 | T171-I175 HydrophobicContact CG2-CD1 4.06Å; T171-I175 VanDerWaalsContact O-CG1 3.31Å; T171-I175 WeakPolarHBondContact O-CG1 3.44Å; T171-I175 PolarHBondContact O-N 3.18Å; F172-I175 HydrophobicContact CD1-CD1 4.32Å; F172-I175 HydrophobicContact CE1-CD1 4.5Å; F172-I175 PolarHBondContact O-N 3.5Å; I175-S177 VanDerWaalsContact C-N 3.33Å; I175-S177 PolarHBondContact O-N 2.72Å; I175-Q178 PolarHBondContact O-N 3.24Å; I175-L179 HydrophobicContact CG2-CD1 3.79Å; I175-L179 HydrophobicContact CG2-CG 4.17Å; I175-L179 WeakPolarHBondContact O-CB 3.14Å; I175-L179 VanDerWaalsContact O-CG 3.28Å; I175-L179 WeakPolarHBondContact O-CG 3.48Å; I175-L179 PolarHBondContact O-N 2.99Å; I175-N212 HydrophobicContact CG2-CB 4.05Å; I175-V216 HydrophobicContact CG2-CG2 3.68Å |
| 176 | D | 89.3 | Confident | 89.8 | Confident | 44 Ų | 44 | 74.4 Ų | 74.4 | 24% | 0.235 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 178.8 | -94.2 | -44.8 | 0 | 0 | 0 | 112.2 | F172 S173 L174 S180 R188 T207 N212 | F172-D176 WeakPolarHBondContact O-CB 3.3Å; F172-D176 PolarHBondContact O-N 3.47Å; S173-D176 PolarHBondContact O-N 2.83Å; L174-D176 VanDerWaalsContact C-N 3.34Å; D176-S180 WeakPolarHBondContact O-CB 3.34Å; D176-S180 PolarHBondContact O-N 3.37Å; D176-S180 VanDerWaalsContact O-N 3.14Å; D176-R188 PolarHBondContact O-NH1 3.33Å; D176-R188 IonicContact OD1-CZ 2.74Å; D176-R188 IonicContact OD1-NH1 2.69Å; D176-R188 IonicContact OD1-NH2 2.86Å; D176-R188 PolarHBondContact OD1-NH2 3.45Å; D176-T207 PolarHBondContact OD1-OG1 3.15Å; D176-T207 VanDerWaalsContact OD1-OG1 3.13Å; D176-N212 PolarHBondContact OD1-ND2 3.49Å; D176-N212 PolarHBondContact OD1-OD1 3.44Å; D176-N212 PolarHBondContact OD2-ND2 3.4Å |
| 177 | S | 89.6 | Confident | 89.4 | Confident | 53 Ų | 53 | 74.8 Ų | 74.8 | 37% | 0.371 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.6 | -45.6 | 177 | 57.9 | 0 | 0 | 0 | 0 | 111.4 | S173 L174 I175 L179 S180 I181 | S173-S177 PolarHBondContact O-N 3.46Å; S173-S177 PolarHBondContact O-OG 3.49Å; L174-S177 WeakPolarHBondContact CA-OG 3.39Å; L174-S177 PolarHBondContact O-N 3.21Å; L174-S177 PolarHBondContact O-OG 3.12Å; I175-S177 VanDerWaalsContact C-N 3.33Å; I175-S177 PolarHBondContact O-N 2.72Å; S177-L179 PolarHBondContact O-N 3.3Å; S177-S180 PolarHBondContact O-N 3.24Å; S177-S180 VanDerWaalsContact O-N 3.09Å; S177-S180 PolarHBondContact O-OG 3.22Å; S177-I181 WeakPolarHBondContact O-CG1 3.25Å |
| 178 | Q | 91.2 | Very high | 88.9 | Confident | 129 Ų | 129 | 68.2 Ų | 68.2 | 60% | 0.603 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65.2 | -40.7 | 178.8 | -72.9 | -167.1 | -6 | 0 | 0 | 112.5 | L174 I175 S180 I181 | L174-Q178 WeakPolarHBondContact O-CG 3.21Å; L174-Q178 PolarHBondContact O-N 2.97Å; I175-Q178 PolarHBondContact O-N 3.24Å; Q178-S180 PolarHBondContact O-N 3.28Å; Q178-I181 PolarHBondContact O-N 3.14Å |
| 179 | L | 88.7 | Confident | 88.5 | Confident | 5 Ų | 5 | 68.2 Ų | 68.2 | 3% | 0.026 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -11 | 175.5 | -68.6 | -178.4 | 0 | 0 | 0 | 113.4 | I175 S177 L184 N185 R188 N212 V215 V216 I219 | I175-L179 HydrophobicContact CG2-CD1 3.79Å; I175-L179 HydrophobicContact CG2-CG 4.17Å; I175-L179 WeakPolarHBondContact O-CB 3.14Å; I175-L179 VanDerWaalsContact O-CG 3.28Å; I175-L179 WeakPolarHBondContact O-CG 3.48Å; I175-L179 PolarHBondContact O-N 2.99Å; S177-L179 PolarHBondContact O-N 3.3Å; L179-L184 HydrophobicContact CD2-CB 4.26Å; L179-L184 HydrophobicContact CD2-CD1 4.36Å; L179-N185 WeakPolarHBondContact O-CA 2.96Å; L179-N185 PolarHBondContact O-N 3.12Å; L179-R188 WeakPolarHBondContact O-CD 3.45Å; L179-N212 HydrophobicContact CD1-CB 4.13Å; L179-V215 HydrophobicContact CD1-CB 4.26Å; L179-V215 HydrophobicContact CD1-CG1 4.11Å; L179-V215 HydrophobicContact CD2-CG1 3.84Å; L179-V216 HydrophobicContact CD1-CG2 4.09Å; L179-V216 HydrophobicContact CD2-CG2 4.3Å; L179-V216 HydrophobicContact CG-CG2 4.44Å; L179-I219 HydrophobicContact CD2-CD1 3.53Å |
| 180 | S | 87.3 | Confident | 88.2 | Confident | 67 Ų | 67 | 69.8 Ų | 69.8 | 47% | 0.469 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -10.1 | 175.9 | 73.5 | 0 | 0 | 0 | 0 | 113.4 | D176 S177 Q178 N185 | D176-S180 WeakPolarHBondContact O-CB 3.34Å; D176-S180 PolarHBondContact O-N 3.37Å; D176-S180 VanDerWaalsContact O-N 3.14Å; S177-S180 PolarHBondContact O-N 3.24Å; S177-S180 VanDerWaalsContact O-N 3.09Å; S177-S180 PolarHBondContact O-OG 3.22Å; Q178-S180 PolarHBondContact O-N 3.28Å; S180-N185 WeakPolarHBondContact O-CB 3.24Å |
| 181 | I | 88.2 | Confident | 87.7 | Confident | 100 Ų | 100 | 66.6 Ų | 66.6 | 51% | 0.513 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -95.7 | 140.4 | -178.7 | -58.6 | 164.8 | 0 | 0 | 0 | 109.4 | S177 Q178 L184 N185 | S177-I181 WeakPolarHBondContact O-CG1 3.25Å; Q178-I181 PolarHBondContact O-N 3.14Å; I181-L184 PolarHBondContact O-N 2.72Å; I181-N185 PolarHBondContact O-N 3.01Å; I181-N185 VanDerWaalsContact O-N 3.1Å |
| 182 | P | 85 | Confident | 87.3 | Confident | 86 Ų | 86 | 64.5 Ų | 64.5 | 56% | 0.558 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 146.4 | 170.3 | -21.7 | 31.1 | 0 | 0 | 0 | 112.5 | N185 | P182-N185 WeakPolarHBondContact CA-OD1 3.49Š|
| 183 | P | 85.6 | Confident | 86.8 | Confident | 93 Ų | 93 | 69.7 Ų | 69.7 | 60% | 0.604 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -85.4 | -3.6 | 0.1 | 34.1 | -35.6 | 0 | 0 | 0 | 114 | N185 Q186 | P183-N185 VanDerWaalsContact C-N 3.32Å; P183-N185 PolarHBondContact O-N 3.16Å; P183-Q186 PolarHBondContact O-N 2.91Å |
| 184 | L | 86.9 | Confident | 86.3 | Confident | 46 Ų | 46 | 71.4 Ų | 71.4 | 24% | 0.241 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -70.7 | -27.7 | -171.3 | -58.2 | -175.4 | 0 | 0 | 0 | 113.3 | L179 I181 Q186 I187 R188 I219 | L179-L184 HydrophobicContact CD2-CB 4.26Å; L179-L184 HydrophobicContact CD2-CD1 4.36Å; I181-L184 PolarHBondContact O-N 2.72Å; L184-Q186 VanDerWaalsContact C-N 3.27Å; L184-Q186 PolarHBondContact O-N 2.76Å; L184-I187 HydrophobicContact CD2-CD1 4.26Å; L184-I187 PolarHBondContact O-N 3.45Å; L184-I187 VanDerWaalsContact O-N 3.17Å; L184-R188 PolarHBondContact O-N 3.43Å; L184-I219 HydrophobicContact CB-CD1 4.5Å; L184-I219 HydrophobicContact CD2-CD1 3.89Å; L184-I219 HydrophobicContact CD2-CG1 4.29Å; L184-I219 HydrophobicContact CD2-CG2 4.08Å |
| 185 | N | 87.2 | Confident | 85.2 | Confident | 38 Ų | 38 | 74.4 Ų | 74.4 | 20% | 0.203 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.3 | -38.6 | 175.4 | 67.8 | -8.8 | 0 | 0 | 0 | 113.2 | L179 S180 I181 P182 P183 I187 R188 D189 | L179-N185 WeakPolarHBondContact O-CA 2.96Å; L179-N185 PolarHBondContact O-N 3.12Å; S180-N185 WeakPolarHBondContact O-CB 3.24Å; I181-N185 PolarHBondContact O-N 3.01Å; I181-N185 VanDerWaalsContact O-N 3.1Å; P182-N185 WeakPolarHBondContact CA-OD1 3.49Å; P183-N185 VanDerWaalsContact C-N 3.32Å; P183-N185 PolarHBondContact O-N 3.16Å; N185-I187 VanDerWaalsContact C-N 3.34Å; N185-I187 PolarHBondContact O-N 3.42Å; N185-R188 WeakPolarHBondContact O-CB 3.28Å; N185-R188 PolarHBondContact O-N 2.97Å; N185-D189 WeakPolarHBondContact O-CB 3.5Å; N185-D189 PolarHBondContact O-N 3.17Å |
| 186 | Q | 86.4 | Confident | 84 | Confident | 123 Ų | 123 | 76.4 Ų | 76.4 | 58% | 0.575 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.8 | -41.9 | 177.8 | -62.7 | 178.4 | 16.2 | 0 | 0 | 111.1 | P183 L184 D189 I190 | P183-Q186 PolarHBondContact O-N 2.91Å; L184-Q186 VanDerWaalsContact C-N 3.27Å; L184-Q186 PolarHBondContact O-N 2.76Å; Q186-D189 PolarHBondContact O-N 3.11Å; Q186-I190 WeakPolarHBondContact O-CB 3.32Å; Q186-I190 WeakPolarHBondContact O-CD1 3.45Å; Q186-I190 WeakPolarHBondContact O-CG1 3.49Å; Q186-I190 PolarHBondContact O-N 2.89Å |
| 187 | I | 84.6 | Confident | 82.5 | Confident | 67 Ų | 67 | 80.3 Ų | 80.3 | 34% | 0.344 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 177.8 | -58 | 174 | 0 | 0 | 0 | 109.9 | L184 N185 Y191 V215 I219 | L184-I187 HydrophobicContact CD2-CD1 4.26Å; L184-I187 PolarHBondContact O-N 3.45Å; L184-I187 VanDerWaalsContact O-N 3.17Å; N185-I187 VanDerWaalsContact C-N 3.34Å; N185-I187 PolarHBondContact O-N 3.42Å; I187-Y191 VanDerWaalsContact O-CB 3.23Å; I187-Y191 WeakPolarHBondContact O-CB 3.38Å; I187-Y191 PolarHBondContact O-N 3.3Å; I187-V215 HydrophobicContact CG2-CG1 4.37Å; I187-I219 HydrophobicContact CD1-CG1 4Å; I187-I219 HydrophobicContact CG2-CG1 4.13Å |
| 188 | R | 84.5 | Confident | 80.4 | Confident | 30 Ų | 30 | 84 Ų | 84 | 11% | 0.113 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -59.5 | -47.5 | 175.7 | -179.8 | -165.3 | -174.8 | 144.3 | 4.3 | 111.3 | D176 L179 L184 N185 Y191 L192 T207 V215 | D176-R188 PolarHBondContact O-NH1 3.33Å; D176-R188 IonicContact OD1-CZ 2.74Å; D176-R188 IonicContact OD1-NH1 2.69Å; D176-R188 IonicContact OD1-NH2 2.86Å; D176-R188 PolarHBondContact OD1-NH2 3.45Å; L179-R188 WeakPolarHBondContact O-CD 3.45Å; L184-R188 PolarHBondContact O-N 3.43Å; N185-R188 WeakPolarHBondContact O-CB 3.28Å; N185-R188 PolarHBondContact O-N 2.97Å; R188-Y191 WeakPolarHBondContact O-CB 3.25Å; R188-Y191 PolarHBondContact O-N 2.94Å; R188-L192 HydrophobicContact CG-CD1 4.1Å; R188-L192 WeakPolarHBondContact O-CB 3.4Å; R188-L192 WeakPolarHBondContact O-CG 3.38Å; R188-L192 PolarHBondContact O-N 2.97Å; R188-T207 PolarHBondContact NH2-OG1 2.8Å; R188-V215 HydrophobicContact CB-CG1 4.3Å |
| 189 | D | 83.7 | Confident | 78.5 | Confident | 77 Ų | 77 | 80.6 Ų | 80.6 | 41% | 0.412 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.9 | -44.5 | -177.9 | -70.1 | -17.4 | 0 | 0 | 0 | 111.3 | N185 Q186 Y191 L192 Q193 | N185-D189 WeakPolarHBondContact O-CB 3.5Å; N185-D189 PolarHBondContact O-N 3.17Å; Q186-D189 PolarHBondContact O-N 3.11Å; D189-Y191 VanDerWaalsContact C-N 3.32Å; D189-Y191 PolarHBondContact O-N 2.89Å; D189-L192 PolarHBondContact O-N 3.33Å; D189-Q193 WeakPolarHBondContact O-CB 3.33Å; D189-Q193 WeakPolarHBondContact O-CG 3.36Å; D189-Q193 PolarHBondContact O-N 3.44Å |
| 190 | I | 84.2 | Confident | 76.4 | Confident | 96 Ų | 96 | 87.7 Ų | 87.7 | 49% | 0.492 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 173.7 | -68.9 | 165.4 | 0 | 0 | 0 | 110.5 | Q186 L192 Q193 T194 | Q186-I190 WeakPolarHBondContact O-CB 3.32Å; Q186-I190 WeakPolarHBondContact O-CD1 3.45Å; Q186-I190 WeakPolarHBondContact O-CG1 3.49Å; Q186-I190 PolarHBondContact O-N 2.89Å; I190-L192 VanDerWaalsContact C-N 3.34Å; I190-L192 PolarHBondContact O-N 3.26Å; I190-Q193 PolarHBondContact O-N 3.33Å; I190-T194 WeakPolarHBondContact O-CB 3.38Å; I190-T194 PolarHBondContact O-N 2.88Å; I190-T194 PolarHBondContact O-OG1 3.47Å |
| 191 | Y | 83.9 | Confident | 74.5 | Confident | 37 Ų | 37 | 89.3 Ų | 89.3 | 15% | 0.145 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 179 | -171.9 | -83.9 | 0 | 0 | 0 | 111.9 | I187 R188 D189 R195 T211 S214 V215 | I187-Y191 VanDerWaalsContact O-CB 3.23Å; I187-Y191 WeakPolarHBondContact O-CB 3.38Å; I187-Y191 PolarHBondContact O-N 3.3Å; R188-Y191 WeakPolarHBondContact O-CB 3.25Å; R188-Y191 PolarHBondContact O-N 2.94Å; D189-Y191 VanDerWaalsContact C-N 3.32Å; D189-Y191 PolarHBondContact O-N 2.89Å; Y191-R195 HydrophobicContact CE1-CG 4.36Å; Y191-R195 PolarHBondContact O-N 3.41Å; Y191-R195 PolarHBondContact OH-NE 3.04Å; Y191-R195 PolarHBondContact OH-NH2 3.46Å; Y191-T211 HydrophobicContact CD1-CG2 3.86Å; Y191-T211 HydrophobicContact CE1-CG2 3.87Å; Y191-S214 VanDerWaalsContact CZ-OG 3.29Å; Y191-S214 WeakPolarHBondContact OH-CB 3.39Å; Y191-S214 PolarHBondContact OH-OG 2.92Å; Y191-V215 HydrophobicContact CD1-CG2 3.57Å; Y191-V215 HydrophobicContact CD2-CG2 4.13Å; Y191-V215 HydrophobicContact CE1-CG2 4.2Å; Y191-V215 HydrophobicContact CG-CG2 3.54Å |
| 192 | L | 81.7 | Confident | 72.6 | Confident | 31 Ų | 31 | 92 Ų | 92 | 16% | 0.162 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -65.5 | -46.6 | 175.3 | -74.9 | 170.5 | 0 | 0 | 0 | 111.7 | R188 D189 I190 T194 R195 S196 A205 T207 T211 | R188-L192 HydrophobicContact CG-CD1 4.1Å; R188-L192 WeakPolarHBondContact O-CB 3.4Å; R188-L192 WeakPolarHBondContact O-CG 3.38Å; R188-L192 PolarHBondContact O-N 2.97Å; D189-L192 PolarHBondContact O-N 3.33Å; I190-L192 VanDerWaalsContact C-N 3.34Å; I190-L192 PolarHBondContact O-N 3.26Å; L192-T194 VanDerWaalsContact C-N 3.33Å; L192-T194 PolarHBondContact O-N 2.69Å; L192-R195 PolarHBondContact O-N 3.38Å; L192-S196 WeakPolarHBondContact O-CB 3.42Å; L192-S196 PolarHBondContact O-N 3.37Å; L192-S196 PolarHBondContact O-OG 3.4Å; L192-A205 HydrophobicContact CD1-CB 4.46Å; L192-A205 HydrophobicContact CD2-CB 4.26Å; L192-T207 HydrophobicContact CD1-CG2 3.73Å; L192-T207 HydrophobicContact CD2-CG2 4.2Å; L192-T207 HydrophobicContact CG-CG2 4.49Å; L192-T211 HydrophobicContact CD2-CG2 3.67Å; L192-T211 HydrophobicContact CG-CG2 4.41Å |
| 193 | Q | 82.1 | Confident | 71.1 | Confident | 132 Ų | 132 | 92.6 Ų | 92.6 | 62% | 0.617 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.9 | -41.9 | 177.4 | -74.9 | 172 | 6.1 | 0 | 0 | 112.1 | D189 I190 R195 S196 | D189-Q193 WeakPolarHBondContact O-CB 3.33Å; D189-Q193 WeakPolarHBondContact O-CG 3.36Å; D189-Q193 PolarHBondContact O-N 3.44Å; I190-Q193 PolarHBondContact O-N 3.33Å; Q193-R195 VanDerWaalsContact C-N 3.32Å; Q193-R195 PolarHBondContact O-N 3.01Å; Q193-S196 WeakPolarHBondContact CA-OG 3.34Å; Q193-S196 PolarHBondContact O-N 3.5Å; Q193-S196 PolarHBondContact O-OG 2.96Å; Q193-S196 VanDerWaalsContact O-OG 3.08Å |
| 194 | T | 79 | Confident | 69.6 | Low | 108 Ų | 108 | 94.7 Ų | 94.7 | 66% | 0.663 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69.1 | -31.5 | -178.5 | -52.8 | 0 | 0 | 0 | 0 | 112 | I190 L192 | I190-T194 WeakPolarHBondContact O-CB 3.38Å; I190-T194 PolarHBondContact O-N 2.88Å; I190-T194 PolarHBondContact O-OG1 3.47Å; L192-T194 VanDerWaalsContact C-N 3.33Å; L192-T194 PolarHBondContact O-N 2.69Å |
| 195 | R | 68.8 | Low | 68.2 | Low | 165 Ų | 165 | 94.8 Ų | 94.8 | 62% | 0.623 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -88.3 | -23.7 | 176.5 | -77.7 | -169.6 | 176.5 | -108.2 | 1.7 | 113.9 | Y191 L192 Q193 T197 | Y191-R195 HydrophobicContact CE1-CG 4.36Å; Y191-R195 PolarHBondContact O-N 3.41Å; Y191-R195 PolarHBondContact OH-NE 3.04Å; Y191-R195 PolarHBondContact OH-NH2 3.46Å; L192-R195 PolarHBondContact O-N 3.38Å; Q193-R195 VanDerWaalsContact C-N 3.32Å; Q193-R195 PolarHBondContact O-N 3.01Å; R195-T197 PolarHBondContact O-N 3.06Å |
| 196 | S | 66.8 | Low | 67.1 | Low | 77 Ų | 77 | 104.1 Ų | 104.1 | 54% | 0.538 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -76.1 | 72.3 | 169.7 | 66.4 | 0 | 0 | 0 | 0 | 108.7 | L192 Q193 C198 | L192-S196 WeakPolarHBondContact O-CB 3.42Å; L192-S196 PolarHBondContact O-N 3.37Å; L192-S196 PolarHBondContact O-OG 3.4Å; Q193-S196 WeakPolarHBondContact CA-OG 3.34Å; Q193-S196 PolarHBondContact O-N 3.5Å; Q193-S196 PolarHBondContact O-OG 2.96Å; Q193-S196 VanDerWaalsContact O-OG 3.08Å; S196-C198 PolarHBondContact O-N 3.02Å |
| 197 | T | 57.5 | Low | 66.4 | Low | 126 Ų | 126 | 99.6 Ų | 99.6 | 77% | 0.773 | 56% | 0.558 | S | S | * | * | trans | -57.4 | 109 | 171.2 | -51.6 | 0 | 0 | 0 | 0 | 108.2 | R195 | R195-T197 PolarHBondContact O-N 3.06Š| ||
| 198 | C | 45.7 | Very low | 66.1 | Low | 130 Ų | 130 | 99.9 Ų | 99.9 | 88% | 0.878 | 56% | 0.563 | S | S | * | * | S | Bend | trans | 54.8 | 86.4 | 158.2 | -150 | 0 | 0 | 0 | 0 | 115.5 | S196 | S196-C198 PolarHBondContact O-N 3.02Š|
| 199 | G | 50.9 | Low | 66.1 | Low | 59 Ų | 59 | 102.9 Ų | 102.9 | 61% | 0.608 | 58% | 0.577 | S | S | * | * | trans | 173.1 | 96.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 200 | N | 44.2 | Very low | 66.2 | Low | 153 Ų | 153 | 107.3 Ų | 107.3 | 82% | 0.818 | 59% | 0.592 | S | S | * | * | trans | 52.9 | 118.6 | 152.4 | -61.6 | 56.3 | 0 | 0 | 0 | 118.6 | ||||
| 201 | S | 47.4 | Very low | 66.3 | Low | 102 Ų | 102 | 103.8 Ų | 103.8 | 71% | 0.713 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -29.2 | 138.6 | 161.8 | 37.1 | 0 | 0 | 0 | 0 | 115.4 | ||
| 202 | N | 49 | Very low | 66.5 | Low | 156 Ų | 156 | 102.1 Ų | 102.1 | 83% | 0.834 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83.9 | 12.1 | 162.6 | -49.3 | -13.8 | 0 | 0 | 0 | 118.5 | T204 | N202-T204 PolarHBondContact O-N 3.29Å; N202-T204 VanDerWaalsContact O-N 3.14Å |
| 203 | S | 52.3 | Low | 66.9 | Low | 99 Ų | 99 | 105 Ų | 105 | 69% | 0.692 | 58% | 0.584 | S | S | * | * | trans | -69.2 | 113.8 | 164 | -172.1 | 0 | 0 | 0 | 0 | 109 | A205 | S203-A205 PolarHBondContact O-N 3.3Š| ||
| 204 | T | 55 | Low | 67.2 | Low | 136 Ų | 136 | 100.2 Ų | 100.2 | 83% | 0.834 | 57% | 0.566 | S | S | * | * | trans | -58.6 | 86.7 | 155.7 | 40.9 | 0 | 0 | 0 | 0 | 106.6 | N202 R206 | N202-T204 PolarHBondContact O-N 3.29Å; N202-T204 VanDerWaalsContact O-N 3.14Å; T204-R206 VanDerWaalsContact C-N 3.31Å; T204-R206 PolarHBondContact O-N 3.32Å | ||
| 205 | A | 57.6 | Low | 67.7 | Low | 49 Ų | 49 | 95.1 Ų | 95.1 | 41% | 0.405 | 53% | 0.534 | S | S | . | . | trans | -61.8 | 98.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | L192 S203 T207 | L192-A205 HydrophobicContact CD1-CB 4.46Å; L192-A205 HydrophobicContact CD2-CB 4.26Å; S203-A205 PolarHBondContact O-N 3.3Å; A205-T207 PolarHBondContact O-N 2.85Å | ||
| 206 | R | 64.1 | Low | 68.8 | Low | 234 Ų | 234 | 89.4 Ų | 89.4 | 88% | 0.883 | 52% | 0.518 | S | S | * | . | trans | -55 | 110 | 177.4 | -175.2 | 177.9 | -177.4 | 175.9 | 2.1 | 106.9 | T204 T208 | T204-R206 VanDerWaalsContact C-N 3.31Å; T204-R206 PolarHBondContact O-N 3.32Å; R206-T208 PolarHBondContact O-N 3.04Å | ||
| 207 | T | 70.8 | Confident | 69.9 | Low | 28 Ų | 28 | 91.5 Ų | 91.5 | 17% | 0.172 | 52% | 0.519 | C | S | . | . | trans | -67.8 | 123.5 | 180 | 49 | 0 | 0 | 0 | 0 | 108.5 | D176 R188 L192 A205 N212 | D176-T207 PolarHBondContact OD1-OG1 3.15Å; D176-T207 VanDerWaalsContact OD1-OG1 3.13Å; R188-T207 PolarHBondContact NH2-OG1 2.8Å; L192-T207 HydrophobicContact CD1-CG2 3.73Å; L192-T207 HydrophobicContact CD2-CG2 4.2Å; L192-T207 HydrophobicContact CG-CG2 4.49Å; A205-T207 PolarHBondContact O-N 2.85Å; T207-N212 WeakPolarHBondContact CB-OD1 3.18Å | ||
| 208 | T | 79.3 | Confident | 71.3 | Confident | 73 Ų | 73 | 87.2 Ų | 87.2 | 45% | 0.448 | 49% | 0.492 | S | S | . | . | trans | -81.4 | 152 | 173.7 | 70.4 | 0 | 0 | 0 | 0 | 108.7 | R206 K210 T211 N212 | R206-T208 PolarHBondContact O-N 3.04Å; T208-K210 PolarHBondContact O-N 3.05Å; T208-K210 VanDerWaalsContact O-N 3.1Å; T208-T211 WeakPolarHBondContact O-CA 3.36Å; T208-T211 WeakPolarHBondContact O-CB 2.9Å; T208-T211 PolarHBondContact O-N 2.98Å; T208-T211 PolarHBondContact OG1-N 2.06Å; T208-T211 VanDerWaalsContact OG1-N 3.08Å; T208-T211 PolarHBondContact OG1-OG1 3.47Å; T208-N212 PolarHBondContact O-N 3.17Å | ||
| 209 | K | 84.9 | Confident | 73.4 | Confident | 93 Ų | 93 | 82.4 Ų | 82.4 | 40% | 0.404 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -46.6 | -40.5 | 169.9 | -68.9 | -177.7 | 170.7 | -174.9 | 0 | 111.7 | E168 F172 N212 L213 | E168-K209 IonicContact OE1-NZ 3.88Å; E168-K209 PolarHBondContact OE1-NZ 2.82Å; E168-K209 IonicContact OE2-NZ 3.92Å; E168-K209 PolarHBondContact OE2-NZ 2.8Å; F172-K209 HydrophobicContact CD1-CB 4.03Å; F172-K209 HydrophobicContact CD1-CD 4.49Å; F172-K209 HydrophobicContact CD1-CG 3.8Å; F172-K209 HydrophobicContact CD2-CD 3.65Å; F172-K209 VanDerWaalsContact CD2-CE 3.5Å; F172-K209 HydrophobicContact CD2-CG 3.85Å; F172-K209 HydrophobicContact CE1-CB 3.61Å; F172-K209 HydrophobicContact CE1-CD 4.43Å; F172-K209 HydrophobicContact CE1-CG 3.86Å; F172-K209 HydrophobicContact CE2-CB 4.21Å; F172-K209 HydrophobicContact CE2-CD 3.59Å; F172-K209 HydrophobicContact CE2-CG 3.93Å; F172-K209 HydrophobicContact CG-CB 4.49Å; F172-K209 HydrophobicContact CG-CD 4.13Å; F172-K209 HydrophobicContact CG-CG 3.81Å; F172-K209 HydrophobicContact CZ-CB 3.72Å; F172-K209 HydrophobicContact CZ-CD 4Å; F172-K209 HydrophobicContact CZ-CG 3.93Å; K209-N212 PolarHBondContact O-N 3.45Å; K209-L213 WeakPolarHBondContact O-CG 3.38Å; K209-L213 PolarHBondContact O-N 3.24Å |
| 210 | K | 85.7 | Confident | 75.3 | Confident | 169 Ų | 169 | 83.1 Ų | 83.1 | 74% | 0.735 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.7 | -41.7 | 176.8 | -174.9 | 175.4 | -178.7 | 175 | 0 | 112.8 | T208 S214 | T208-K210 PolarHBondContact O-N 3.05Å; T208-K210 VanDerWaalsContact O-N 3.1Å; K210-S214 PolarHBondContact O-N 3.23Å |
| 211 | T | 85.6 | Confident | 77.3 | Confident | 23 Ų | 23 | 81.8 Ų | 81.8 | 14% | 0.141 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63 | -49.5 | 175.5 | -51.9 | 0 | 0 | 0 | 0 | 110.5 | Y191 L192 T208 L213 S214 V215 | Y191-T211 HydrophobicContact CD1-CG2 3.86Å; Y191-T211 HydrophobicContact CE1-CG2 3.87Å; L192-T211 HydrophobicContact CD2-CG2 3.67Å; L192-T211 HydrophobicContact CG-CG2 4.41Å; T208-T211 WeakPolarHBondContact O-CA 3.36Å; T208-T211 WeakPolarHBondContact O-CB 2.9Å; T208-T211 PolarHBondContact O-N 2.98Å; T208-T211 PolarHBondContact OG1-N 2.06Å; T208-T211 VanDerWaalsContact OG1-N 3.08Å; T208-T211 PolarHBondContact OG1-OG1 3.47Å; T211-L213 PolarHBondContact O-N 3.33Å; T211-S214 PolarHBondContact O-N 3.12Å; T211-S214 VanDerWaalsContact O-N 3.09Å; T211-V215 HydrophobicContact CG2-CG2 4.45Å; T211-V215 WeakPolarHBondContact O-CG2 3.42Å; T211-V215 PolarHBondContact O-N 3.09Å |
| 212 | N | 87.8 | Confident | 79.2 | Confident | 1 Ų | 1 | 83.1 Ų | 83.1 | 1% | 0.005 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -59.1 | -48.1 | -180 | -69.2 | -11.7 | 0 | 0 | 0 | 111.6 | I175 D176 L179 T207 T208 K209 S214 V215 V216 | I175-N212 HydrophobicContact CG2-CB 4.05Å; D176-N212 PolarHBondContact OD1-ND2 3.49Å; D176-N212 PolarHBondContact OD1-OD1 3.44Å; D176-N212 PolarHBondContact OD2-ND2 3.4Å; L179-N212 HydrophobicContact CD1-CB 4.13Å; T207-N212 WeakPolarHBondContact CB-OD1 3.18Å; T208-N212 PolarHBondContact O-N 3.17Å; K209-N212 PolarHBondContact O-N 3.45Å; N212-S214 VanDerWaalsContact C-N 3.26Å; N212-S214 PolarHBondContact O-N 3.1Å; N212-V215 PolarHBondContact O-N 3.29Å; N212-V215 VanDerWaalsContact O-N 3.15Å; N212-V216 WeakPolarHBondContact O-CG2 3.44Å; N212-V216 PolarHBondContact O-N 3.23Å |
| 213 | L | 89.9 | Confident | 81.1 | Confident | 91 Ų | 91 | 83.2 Ų | 83.2 | 48% | 0.476 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.7 | -39.4 | 175.9 | -72.2 | 176.9 | 0 | 0 | 0 | 112.1 | F172 K209 T211 H217 | F172-L213 HydrophobicContact CE1-CD1 4.31Å; F172-L213 HydrophobicContact CE1-CD2 4.09Å; F172-L213 HydrophobicContact CE1-CG 3.87Å; F172-L213 HydrophobicContact CZ-CD1 4.02Å; F172-L213 HydrophobicContact CZ-CD2 4.24Å; F172-L213 HydrophobicContact CZ-CG 4.07Å; K209-L213 WeakPolarHBondContact O-CG 3.38Å; K209-L213 PolarHBondContact O-N 3.24Å; T211-L213 PolarHBondContact O-N 3.33Å; L213-H217 WeakPolarHBondContact O-CB 3.39Å; L213-H217 PolarHBondContact O-N 3.45Å |
| 214 | S | 88.6 | Confident | 82.7 | Confident | 33 Ų | 33 | 82.8 Ų | 82.8 | 23% | 0.231 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -70 | -34.9 | 178 | -169.8 | 0 | 0 | 0 | 0 | 113 | Y191 K210 T211 N212 T218 | Y191-S214 VanDerWaalsContact CZ-OG 3.29Å; Y191-S214 WeakPolarHBondContact OH-CB 3.39Å; Y191-S214 PolarHBondContact OH-OG 2.92Å; K210-S214 PolarHBondContact O-N 3.23Å; T211-S214 PolarHBondContact O-N 3.12Å; T211-S214 VanDerWaalsContact O-N 3.09Å; N212-S214 VanDerWaalsContact C-N 3.26Å; N212-S214 PolarHBondContact O-N 3.1Å; S214-T218 WeakPolarHBondContact O-CB 3.45Å; S214-T218 PolarHBondContact O-N 3.29Å; S214-T218 PolarHBondContact O-OG1 3.5Å |
| 215 | V | 89.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.6 | -49.1 | 174.4 | 172.9 | 0 | 0 | 0 | 0 | 109.6 | L179 I187 R188 Y191 T211 N212 H217 T218 I219 | L179-V215 HydrophobicContact CD1-CB 4.26Å; L179-V215 HydrophobicContact CD1-CG1 4.11Å; L179-V215 HydrophobicContact CD2-CG1 3.84Å; I187-V215 HydrophobicContact CG2-CG1 4.37Å; R188-V215 HydrophobicContact CB-CG1 4.3Å; Y191-V215 HydrophobicContact CD1-CG2 3.57Å; Y191-V215 HydrophobicContact CD2-CG2 4.13Å; Y191-V215 HydrophobicContact CE1-CG2 4.2Å; Y191-V215 HydrophobicContact CG-CG2 3.54Å; T211-V215 HydrophobicContact CG2-CG2 4.45Å; T211-V215 WeakPolarHBondContact O-CG2 3.42Å; T211-V215 PolarHBondContact O-N 3.09Å; N212-V215 PolarHBondContact O-N 3.29Å; N212-V215 VanDerWaalsContact O-N 3.15Å; V215-H217 PolarHBondContact O-N 3.4Å; V215-T218 WeakPolarHBondContact O-CA 3.48Å; V215-T218 WeakPolarHBondContact O-CB 3.32Å; V215-T218 PolarHBondContact O-N 3.26Å; V215-T218 VanDerWaalsContact O-N 3.07Å; V215-I219 HydrophobicContact CG1-CD1 3.72Å; V215-I219 HydrophobicContact CG1-CG1 4.45Å; V215-I219 WeakPolarHBondContact O-CG1 3.06Å; V215-I219 PolarHBondContact O-N 3.38Å |
| 216 | V | 91.6 | Very high | 85.4 | Confident | 46 Ų | 46 | 79 Ų | 79 | 28% | 0.279 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -55.8 | -50.1 | 175.2 | 172.5 | 0 | 0 | 0 | 0 | 111 | I175 L179 N212 T218 I219 V220 | I175-V216 HydrophobicContact CG2-CG2 3.68Å; L179-V216 HydrophobicContact CD1-CG2 4.09Å; L179-V216 HydrophobicContact CD2-CG2 4.3Å; L179-V216 HydrophobicContact CG-CG2 4.44Å; N212-V216 WeakPolarHBondContact O-CG2 3.44Å; N212-V216 PolarHBondContact O-N 3.23Å; V216-T218 PolarHBondContact O-N 3.15Å; V216-I219 PolarHBondContact O-N 3.39Å; V216-I219 VanDerWaalsContact O-N 3.16Å; V216-V220 HydrophobicContact CG1-CG2 4.22Å; V216-V220 WeakPolarHBondContact O-CG2 3Å; V216-V220 PolarHBondContact O-N 3.27Å |
| 217 | H | 89.9 | Confident | 86.5 | Confident | 121 Ų | 121 | 74.9 Ų | 74.9 | 56% | 0.56 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -57.8 | -38.6 | 177.8 | 178 | -89.3 | 0 | 0 | 0 | 111.9 | L213 V215 R221 | L213-H217 WeakPolarHBondContact O-CB 3.39Å; L213-H217 PolarHBondContact O-N 3.45Å; V215-H217 PolarHBondContact O-N 3.4Å; H217-R221 VanDerWaalsContact O-CB 3.27Å; H217-R221 WeakPolarHBondContact O-CB 3.44Å; H217-R221 PolarHBondContact O-N 2.97Å |
| 218 | T | 88.3 | Confident | 87.2 | Confident | 35 Ų | 35 | 76.4 Ų | 76.4 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.2 | -47.8 | 176.9 | -58.1 | 0 | 0 | 0 | 0 | 111 | S214 V215 V216 V220 R221 F222 | S214-T218 WeakPolarHBondContact O-CB 3.45Å; S214-T218 PolarHBondContact O-N 3.29Å; S214-T218 PolarHBondContact O-OG1 3.5Å; V215-T218 WeakPolarHBondContact O-CA 3.48Å; V215-T218 WeakPolarHBondContact O-CB 3.32Å; V215-T218 PolarHBondContact O-N 3.26Å; V215-T218 VanDerWaalsContact O-N 3.07Å; V216-T218 PolarHBondContact O-N 3.15Å; T218-V220 PolarHBondContact O-N 2.94Å; T218-R221 PolarHBondContact O-N 3.18Å; T218-F222 HydrophobicContact CG2-CD2 3.66Å; T218-F222 HydrophobicContact CG2-CE2 3.44Å; T218-F222 VanDerWaalsContact CG2-CE2 3.44Å; T218-F222 WeakPolarHBondContact O-CD2 3.27Å; T218-F222 PolarHBondContact O-N 3.26Å |
| 219 | I | 89.3 | Confident | 87.5 | Confident | 29 Ų | 29 | 76 Ų | 76 | 15% | 0.149 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.4 | -49.3 | 177.3 | -67.1 | 158.6 | 0 | 0 | 0 | 110.9 | L179 L184 I187 V215 V216 R221 F222 R223 | L179-I219 HydrophobicContact CD2-CD1 3.53Å; L184-I219 HydrophobicContact CB-CD1 4.5Å; L184-I219 HydrophobicContact CD2-CD1 3.89Å; L184-I219 HydrophobicContact CD2-CG1 4.29Å; L184-I219 HydrophobicContact CD2-CG2 4.08Å; I187-I219 HydrophobicContact CD1-CG1 4Å; I187-I219 HydrophobicContact CG2-CG1 4.13Å; V215-I219 HydrophobicContact CG1-CD1 3.72Å; V215-I219 HydrophobicContact CG1-CG1 4.45Å; V215-I219 WeakPolarHBondContact O-CG1 3.06Å; V215-I219 PolarHBondContact O-N 3.38Å; V216-I219 PolarHBondContact O-N 3.39Å; V216-I219 VanDerWaalsContact O-N 3.16Å; I219-R221 VanDerWaalsContact C-N 3.33Å; I219-R221 PolarHBondContact O-N 2.99Å; I219-F222 PolarHBondContact O-N 3.39Å; I219-R223 PolarHBondContact O-N 3.39Å |
| 220 | V | 90 | Very high | 87.6 | Confident | 74 Ų | 74 | 76.7 Ų | 76.7 | 45% | 0.448 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 178.4 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | V216 T218 F222 R223 I224 | V216-V220 HydrophobicContact CG1-CG2 4.22Å; V216-V220 WeakPolarHBondContact O-CG2 3Å; V216-V220 PolarHBondContact O-N 3.27Å; T218-V220 PolarHBondContact O-N 2.94Å; V220-F222 VanDerWaalsContact C-N 3.31Å; V220-F222 PolarHBondContact O-N 3.13Å; V220-R223 PolarHBondContact O-N 3.14Å; V220-I224 HydrophobicContact CG1-CD1 3.76Å; V220-I224 HydrophobicContact CG1-CG1 4.41Å; V220-I224 VanDerWaalsContact O-CG1 3.32Å; V220-I224 WeakPolarHBondContact O-CG1 3.42Å; V220-I224 PolarHBondContact O-N 3.45Å |
| 221 | R | 87.7 | Confident | 87.7 | Confident | 126 Ų | 126 | 72 Ų | 72 | 48% | 0.475 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.1 | -40.7 | 177.3 | -172.9 | -179.1 | -176.3 | -168.6 | 0.1 | 112.1 | H217 T218 I219 K225 | H217-R221 VanDerWaalsContact O-CB 3.27Å; H217-R221 WeakPolarHBondContact O-CB 3.44Å; H217-R221 PolarHBondContact O-N 2.97Å; T218-R221 PolarHBondContact O-N 3.18Å; I219-R221 VanDerWaalsContact C-N 3.33Å; I219-R221 PolarHBondContact O-N 2.99Å; R221-K225 WeakPolarHBondContact O-CG 3.33Å; R221-K225 PolarHBondContact O-N 3.05Å; R221-K225 VanDerWaalsContact O-N 3.13Å |
| 222 | F | 86.4 | Confident | 87.7 | Confident | 130 Ų | 130 | 73.3 Ų | 73.3 | 57% | 0.57 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.8 | -44.7 | 176.5 | -83.7 | -68.6 | 0 | 0 | 0 | 112 | T218 I219 V220 I224 K225 E226 | T218-F222 HydrophobicContact CG2-CD2 3.66Å; T218-F222 HydrophobicContact CG2-CE2 3.44Å; T218-F222 VanDerWaalsContact CG2-CE2 3.44Å; T218-F222 WeakPolarHBondContact O-CD2 3.27Å; T218-F222 PolarHBondContact O-N 3.26Å; I219-F222 PolarHBondContact O-N 3.39Å; V220-F222 VanDerWaalsContact C-N 3.31Å; V220-F222 PolarHBondContact O-N 3.13Å; F222-I224 PolarHBondContact O-N 2.57Å; F222-K225 WeakPolarHBondContact O-CB 3.4Å; F222-K225 PolarHBondContact O-N 3.19Å; F222-K225 VanDerWaalsContact O-N 3.14Å; F222-E226 PolarHBondContact O-N 3.14Å |
| 223 | R | 88.3 | Confident | 87.8 | Confident | 157 Ų | 157 | 77.5 Ų | 77.5 | 59% | 0.592 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.8 | -39.3 | 177.6 | -88.6 | -45 | -154.9 | -155.6 | 16.7 | 113.5 | I219 V220 K225 E226 Y227 | I219-R223 PolarHBondContact O-N 3.39Å; V220-R223 PolarHBondContact O-N 3.14Å; R223-K225 VanDerWaalsContact C-N 3.31Å; R223-K225 PolarHBondContact O-N 3.06Å; R223-E226 WeakPolarHBondContact CD-OE2 3.33Å; R223-E226 IonicContact CZ-OE1 2.59Å; R223-E226 IonicContact CZ-OE2 3.38Å; R223-E226 IonicContact NE-OE2 2.77Å; R223-E226 IonicContact NH1-OE1 2.74Å; R223-E226 PolarHBondContact NH1-OE1 3.19Å; R223-E226 IonicContact NH1-OE2 2.7Å; R223-E226 PolarHBondContact NH1-OE2 3.06Å; R223-E226 PolarHBondContact O-N 2.75Å; R223-Y227 WeakPolarHBondContact O-CB 3.37Å; R223-Y227 PolarHBondContact O-N 3.01Å |
| 224 | I | 86 | Confident | 87.7 | Confident | 90 Ų | 90 | 78.3 Ų | 78.3 | 46% | 0.462 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 173.4 | -67.8 | 167.7 | 0 | 0 | 0 | 110.3 | V220 F222 E226 Y227 L228 | V220-I224 HydrophobicContact CG1-CD1 3.76Å; V220-I224 HydrophobicContact CG1-CG1 4.41Å; V220-I224 VanDerWaalsContact O-CG1 3.32Å; V220-I224 WeakPolarHBondContact O-CG1 3.42Å; V220-I224 PolarHBondContact O-N 3.45Å; F222-I224 PolarHBondContact O-N 2.57Å; I224-E226 PolarHBondContact O-N 2.91Å; I224-Y227 PolarHBondContact O-N 3Å; I224-L228 HydrophobicContact CG2-CD1 4.07Å; I224-L228 HydrophobicContact CG2-CG 4.45Å; I224-L228 VanDerWaalsContact O-CG 3.25Å; I224-L228 WeakPolarHBondContact O-CG 3.15Å; I224-L228 PolarHBondContact O-N 3.22Å |
| 225 | K | 84.1 | Confident | 87.8 | Confident | 28 Ų | 28 | 80.4 Ų | 80.4 | 12% | 0.122 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.3 | -45 | 178 | -79.9 | -176.8 | 167.6 | -166.7 | 0 | 112.4 | R221 F222 R223 L228 I229 F276 D279 L280 | R221-K225 WeakPolarHBondContact O-CG 3.33Å; R221-K225 PolarHBondContact O-N 3.05Å; R221-K225 VanDerWaalsContact O-N 3.13Å; F222-K225 WeakPolarHBondContact O-CB 3.4Å; F222-K225 PolarHBondContact O-N 3.19Å; F222-K225 VanDerWaalsContact O-N 3.14Å; R223-K225 VanDerWaalsContact C-N 3.31Å; R223-K225 PolarHBondContact O-N 3.06Å; K225-L228 PolarHBondContact O-N 3.22Å; K225-I229 WeakPolarHBondContact O-CG1 3.31Å; K225-I229 PolarHBondContact O-N 2.97Å; K225-F276 HydrophobicContact CG-CE2 4.16Å; K225-F276 HydrophobicContact CG-CZ 4.17Å; K225-D279 IonicContact NZ-OD2 3.99Å; K225-D279 PolarHBondContact NZ-OD2 3.41Å; K225-L280 HydrophobicContact CB-CD2 4.27Å; K225-L280 HydrophobicContact CG-CD2 4.37Å |
| 226 | E | 84.8 | Confident | 87.8 | Confident | 78 Ų | 78 | 81.8 Ų | 81.8 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.9 | -44.8 | 179.4 | -172.5 | 174.7 | 175.5 | 0 | 0 | 112 | F222 R223 I224 L228 I229 E230 | F222-E226 PolarHBondContact O-N 3.14Å; R223-E226 WeakPolarHBondContact CD-OE2 3.33Å; R223-E226 IonicContact CZ-OE1 2.59Å; R223-E226 IonicContact CZ-OE2 3.38Å; R223-E226 IonicContact NE-OE2 2.77Å; R223-E226 IonicContact NH1-OE1 2.74Å; R223-E226 PolarHBondContact NH1-OE1 3.19Å; R223-E226 IonicContact NH1-OE2 2.7Å; R223-E226 PolarHBondContact NH1-OE2 3.06Å; R223-E226 PolarHBondContact O-N 2.75Å; I224-E226 PolarHBondContact O-N 2.91Å; E226-L228 VanDerWaalsContact C-N 3.26Å; E226-L228 PolarHBondContact O-N 3.09Å; E226-I229 WeakPolarHBondContact O-CB 3.45Å; E226-I229 PolarHBondContact O-N 3.43Å; E226-E230 PolarHBondContact O-N 2.88Å |
| 227 | Y | 87.8 | Confident | 87.8 | Confident | 147 Ų | 147 | 86.2 Ų | 86.2 | 58% | 0.576 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -57.6 | -39.6 | 173.6 | -179.4 | -101.1 | 0 | 0 | 0 | 112.2 | R223 I224 I229 E230 L231 | R223-Y227 WeakPolarHBondContact O-CB 3.37Å; R223-Y227 PolarHBondContact O-N 3.01Å; I224-Y227 PolarHBondContact O-N 3Å; Y227-I229 VanDerWaalsContact C-N 3.34Å; Y227-I229 PolarHBondContact O-N 3.27Å; Y227-E230 PolarHBondContact O-N 3.49Å; Y227-L231 HydrophobicContact CE1-CD2 4.49Å; Y227-L231 VanDerWaalsContact O-CB 3.28Å; Y227-L231 WeakPolarHBondContact O-CB 3.28Å; Y227-L231 PolarHBondContact O-N 3.16Å |
| 228 | L | 86.2 | Confident | 87.9 | Confident | 60 Ų | 60 | 83.9 Ų | 83.9 | 31% | 0.314 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.2 | -32 | 176.1 | -69.9 | 174.4 | 0 | 0 | 0 | 113 | I224 K225 E226 R232 F276 L280 | I224-L228 HydrophobicContact CG2-CD1 4.07Å; I224-L228 HydrophobicContact CG2-CG 4.45Å; I224-L228 VanDerWaalsContact O-CG 3.25Å; I224-L228 WeakPolarHBondContact O-CG 3.15Å; I224-L228 PolarHBondContact O-N 3.22Å; K225-L228 PolarHBondContact O-N 3.22Å; E226-L228 VanDerWaalsContact C-N 3.26Å; E226-L228 PolarHBondContact O-N 3.09Å; L228-R232 WeakPolarHBondContact O-CB 3.37Å; L228-R232 PolarHBondContact O-N 3.18Å; L228-F276 HydrophobicContact CD1-CE1 3.65Å; L228-F276 HydrophobicContact CD1-CZ 3.78Å; L228-L280 HydrophobicContact CB-CD2 4.42Å |
| 229 | I | 84.7 | Confident | 88 | Confident | 65 Ų | 65 | 83 Ų | 83 | 33% | 0.333 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67 | -49.6 | 173.6 | -67.4 | 165.8 | 0 | 0 | 0 | 109.6 | K225 E226 Y227 L231 R232 E233 L280 | K225-I229 WeakPolarHBondContact O-CG1 3.31Å; K225-I229 PolarHBondContact O-N 2.97Å; E226-I229 WeakPolarHBondContact O-CB 3.45Å; E226-I229 PolarHBondContact O-N 3.43Å; Y227-I229 VanDerWaalsContact C-N 3.34Å; Y227-I229 PolarHBondContact O-N 3.27Å; I229-L231 VanDerWaalsContact C-N 3.33Å; I229-L231 PolarHBondContact O-N 2.96Å; I229-R232 WeakPolarHBondContact O-CB 3.43Å; I229-R232 PolarHBondContact O-N 2.7Å; I229-R232 VanDerWaalsContact O-N 3.16Å; I229-E233 PolarHBondContact O-N 2.96Å; I229-L280 HydrophobicContact CD1-CD2 4.26Å; I229-L280 HydrophobicContact CG1-CD2 3.8Å |
| 230 | E | 87 | Confident | 88.2 | Confident | 108 Ų | 108 | 83.3 Ų | 83.3 | 51% | 0.505 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 177.9 | -70.4 | 178.6 | 179.7 | 0 | 0 | 111.8 | E226 Y227 R232 E233 H234 | E226-E230 PolarHBondContact O-N 2.88Å; Y227-E230 PolarHBondContact O-N 3.49Å; E230-R232 VanDerWaalsContact C-N 3.33Å; E230-R232 PolarHBondContact O-N 3.02Å; E230-E233 PolarHBondContact O-N 3.26Å; E230-H234 WeakPolarHBondContact O-CB 3.38Å; E230-H234 PolarHBondContact O-N 3.36Å |
| 231 | L | 88.2 | Confident | 88.2 | Confident | 70 Ų | 70 | 83.9 Ų | 83.9 | 37% | 0.366 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 176.2 | -178 | 63.1 | 0 | 0 | 0 | 111.4 | Y227 I229 H234 I235 | Y227-L231 HydrophobicContact CE1-CD2 4.49Å; Y227-L231 VanDerWaalsContact O-CB 3.28Å; Y227-L231 WeakPolarHBondContact O-CB 3.28Å; Y227-L231 PolarHBondContact O-N 3.16Å; I229-L231 VanDerWaalsContact C-N 3.33Å; I229-L231 PolarHBondContact O-N 2.96Å; L231-H234 PolarHBondContact O-N 2.96Å; L231-I235 HydrophobicContact CG-CD1 4.22Å; L231-I235 WeakPolarHBondContact O-CG1 3.31Å; L231-I235 PolarHBondContact O-N 3.19Å |
| 232 | R | 86.1 | Confident | 88.5 | Confident | 50 Ų | 50 | 81.3 Ų | 81.3 | 19% | 0.189 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62 | -45.5 | 176.8 | -176.8 | -177.3 | -177.8 | -131.3 | -3 | 111.5 | L228 I229 E230 H234 I235 H236 L269 E285 | L228-R232 WeakPolarHBondContact O-CB 3.37Å; L228-R232 PolarHBondContact O-N 3.18Å; I229-R232 WeakPolarHBondContact O-CB 3.43Å; I229-R232 PolarHBondContact O-N 2.7Å; I229-R232 VanDerWaalsContact O-N 3.16Å; E230-R232 VanDerWaalsContact C-N 3.33Å; E230-R232 PolarHBondContact O-N 3.02Å; R232-H234 VanDerWaalsContact C-N 3.31Å; R232-H234 PolarHBondContact O-N 2.9Å; R232-I235 PolarHBondContact O-N 3.46Å; R232-H236 PolarHBondContact NH2-CE1 2.99Å; R232-H236 PolarHBondContact O-N 2.9Å; R232-L269 VanDerWaalsContact NH2-CD1 3.34Å; R232-E285 IonicContact CZ-OE2 3.48Å; R232-E285 IonicContact NH1-OE2 2.99Å; R232-E285 PolarHBondContact NH1-OE2 3.37Å; R232-E285 IonicContact NH2-OE1 3.74Å; R232-E285 IonicContact NH2-OE2 2.63Å; R232-E285 PolarHBondContact NH2-OE2 3.31Å |
| 233 | E | 88.6 | Confident | 88.7 | Confident | 89 Ų | 89 | 75.1 Ų | 75.1 | 42% | 0.416 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 176.4 | -71.3 | -175.1 | 174.9 | 0 | 0 | 112 | I229 E230 H236 R237 | I229-E233 PolarHBondContact O-N 2.96Å; E230-E233 PolarHBondContact O-N 3.26Å; E233-H236 PolarHBondContact O-N 3.47Å; E233-R237 WeakPolarHBondContact O-CG 3.39Å; E233-R237 PolarHBondContact O-N 2.98Å; E233-R237 IonicContact OE2-CZ 3.87Å; E233-R237 IonicContact OE2-NH1 3.54Å; E233-R237 IonicContact OE2-NH2 2.97Å; E233-R237 PolarHBondContact OE2-NH2 3.23Å |
| 234 | H | 89.2 | Confident | 88.9 | Confident | 108 Ų | 108 | 73.6 Ų | 73.6 | 50% | 0.5 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 175.3 | 179.3 | 72 | 0 | 0 | 0 | 112 | E230 L231 R232 H236 R237 T238 | E230-H234 WeakPolarHBondContact O-CB 3.38Å; E230-H234 PolarHBondContact O-N 3.36Å; L231-H234 PolarHBondContact O-N 2.96Å; R232-H234 VanDerWaalsContact C-N 3.31Å; R232-H234 PolarHBondContact O-N 2.9Å; H234-H236 VanDerWaalsContact C-N 3.32Å; H234-H236 PolarHBondContact O-N 3.33Å; H234-R237 PolarHBondContact O-N 3.43Å; H234-T238 WeakPolarHBondContact O-CB 3.22Å; H234-T238 PolarHBondContact O-N 3.25Å; H234-T238 PolarHBondContact O-OG1 3.1Å |
| 235 | I | 88.9 | Confident | 89.1 | Confident | 78 Ų | 78 | 75.4 Ų | 75.4 | 40% | 0.4 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.6 | -46.4 | 173.5 | -68.7 | 164.8 | 0 | 0 | 0 | 110.1 | L231 R232 R237 T238 L239 | L231-I235 HydrophobicContact CG-CD1 4.22Å; L231-I235 WeakPolarHBondContact O-CG1 3.31Å; L231-I235 PolarHBondContact O-N 3.19Å; R232-I235 PolarHBondContact O-N 3.46Å; I235-R237 PolarHBondContact O-N 3.26Å; I235-T238 PolarHBondContact O-N 2.82Å; I235-L239 HydrophobicContact CG2-CD1 3.86Å; I235-L239 HydrophobicContact CG2-CG 4.24Å; I235-L239 WeakPolarHBondContact O-CB 3.42Å; I235-L239 VanDerWaalsContact O-CG 3.3Å; I235-L239 WeakPolarHBondContact O-CG 3.45Å; I235-L239 PolarHBondContact O-N 3.4Å |
| 236 | H | 90.6 | Very high | 89.3 | Confident | 29 Ų | 29 | 79.3 Ų | 79.3 | 13% | 0.134 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 178.6 | -74 | -174 | 0 | 0 | 0 | 112.8 | R232 E233 H234 T238 L239 D240 R255 | R232-H236 PolarHBondContact NH2-CE1 2.99Å; R232-H236 PolarHBondContact O-N 2.9Å; E233-H236 PolarHBondContact O-N 3.47Å; H234-H236 VanDerWaalsContact C-N 3.32Å; H234-H236 PolarHBondContact O-N 3.33Å; H236-T238 VanDerWaalsContact C-N 3.27Å; H236-T238 PolarHBondContact O-N 2.65Å; H236-L239 PolarHBondContact O-N 3.07Å; H236-D240 WeakPolarHBondContact O-CB 3.37Å; H236-D240 VanDerWaalsContact O-CG 3.22Å; H236-D240 PolarHBondContact O-N 3.19Å; H236-D240 VanDerWaalsContact O-OD2 3.08Å; H236-R255 PolarHBondContact CE1-NH2 3.5Å; H236-R255 VanDerWaalsContact CE1-NH2 3.33Å; H236-R255 VanDerWaalsContact CG-CZ 3.47Å; H236-R255 PolarHBondContact ND1-NH2 3.46Å; H236-R255 VanDerWaalsContact ND1-NH2 3.17Å |
| 237 | R | 91.2 | Very high | 89.4 | Confident | 139 Ų | 139 | 78.4 Ų | 78.4 | 53% | 0.525 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.9 | -39.1 | 176 | -69 | 175.5 | -164.8 | 116.5 | 7.6 | 111.8 | E233 H234 I235 T241 | E233-R237 WeakPolarHBondContact O-CG 3.39Å; E233-R237 PolarHBondContact O-N 2.98Å; E233-R237 IonicContact OE2-CZ 3.87Å; E233-R237 IonicContact OE2-NH1 3.54Å; E233-R237 IonicContact OE2-NH2 2.97Å; E233-R237 PolarHBondContact OE2-NH2 3.23Å; H234-R237 PolarHBondContact O-N 3.43Å; I235-R237 PolarHBondContact O-N 3.26Å; R237-T241 WeakPolarHBondContact O-CB 3.33Å; R237-T241 PolarHBondContact O-N 3.39Å; R237-T241 PolarHBondContact O-OG1 3.27Å |
| 238 | T | 92.8 | Very high | 89.2 | Confident | 72 Ų | 72 | 80.3 Ų | 80.3 | 44% | 0.442 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.3 | -43.8 | 178.2 | -54.7 | 0 | 0 | 0 | 0 | 111.1 | H234 I235 H236 T241 L242 | H234-T238 WeakPolarHBondContact O-CB 3.22Å; H234-T238 PolarHBondContact O-N 3.25Å; H234-T238 PolarHBondContact O-OG1 3.1Å; I235-T238 PolarHBondContact O-N 2.82Å; H236-T238 VanDerWaalsContact C-N 3.27Å; H236-T238 PolarHBondContact O-N 2.65Å; T238-T241 PolarHBondContact O-N 3.09Å; T238-L242 WeakPolarHBondContact O-CB 3.45Å; T238-L242 PolarHBondContact O-N 2.8Å |
| 239 | L | 90.8 | Very high | 89.3 | Confident | 15 Ų | 15 | 84.3 Ų | 84.3 | 8% | 0.079 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 174.5 | -71.2 | 175.5 | 0 | 0 | 0 | 112.2 | I235 H236 T241 L242 F243 R255 A259 L263 L265 | I235-L239 HydrophobicContact CG2-CD1 3.86Å; I235-L239 HydrophobicContact CG2-CG 4.24Å; I235-L239 WeakPolarHBondContact O-CB 3.42Å; I235-L239 VanDerWaalsContact O-CG 3.3Å; I235-L239 WeakPolarHBondContact O-CG 3.45Å; I235-L239 PolarHBondContact O-N 3.4Å; H236-L239 PolarHBondContact O-N 3.07Å; L239-T241 VanDerWaalsContact C-N 3.3Å; L239-T241 PolarHBondContact O-N 3.37Å; L239-L242 PolarHBondContact O-N 3.08Å; L239-F243 HydrophobicContact CB-CD2 4.35Å; L239-F243 HydrophobicContact CB-CE2 4.05Å; L239-F243 HydrophobicContact CD2-CE2 4.19Å; L239-F243 HydrophobicContact CD2-CZ 4.14Å; L239-F243 WeakPolarHBondContact O-CB 3Å; L239-F243 WeakPolarHBondContact O-CD2 3.34Å; L239-F243 WeakPolarHBondContact O-CG 3.04Å; L239-F243 PolarHBondContact O-N 3.33Å; L239-R255 HydrophobicContact CB-CG 3.97Å; L239-R255 HydrophobicContact CD1-CG 4.33Å; L239-A259 HydrophobicContact CD1-CB 4.09Å; L239-L263 HydrophobicContact CD2-CD1 3.37Å; L239-L265 HydrophobicContact CD1-CD1 4.41Å; L239-L265 HydrophobicContact CD2-CD1 4.47Å |
| 240 | D | 91.7 | Very high | 89.6 | Confident | 37 Ų | 37 | 82.7 Ų | 82.7 | 20% | 0.198 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 175.9 | -74.8 | -39.4 | 0 | 0 | 0 | 110.4 | H236 H244 Y250 R255 | H236-D240 WeakPolarHBondContact O-CB 3.37Å; H236-D240 VanDerWaalsContact O-CG 3.22Å; H236-D240 PolarHBondContact O-N 3.19Å; H236-D240 VanDerWaalsContact O-OD2 3.08Å; D240-H244 WeakPolarHBondContact O-CB 3.47Å; D240-H244 PolarHBondContact O-N 3.3Å; D240-Y250 HydrophobicContact CB-CE1 4.16Å; D240-Y250 WeakPolarHBondContact OD1-CE1 3.44Å; D240-Y250 PolarHBondContact OD1-OH 2.94Å; D240-R255 WeakPolarHBondContact OD1-CD 3.47Å; D240-R255 IonicContact OD1-NH1 2.81Å; D240-R255 IonicContact OD2-NH1 3.96Å; D240-R255 PolarHBondContact OD2-NH1 2.94Å |
| 241 | T | 91.9 | Very high | 89.6 | Confident | 86 Ų | 86 | 82 Ų | 82 | 53% | 0.528 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 176 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | R237 T238 L239 N245 | R237-T241 WeakPolarHBondContact O-CB 3.33Å; R237-T241 PolarHBondContact O-N 3.39Å; R237-T241 PolarHBondContact O-OG1 3.27Å; T238-T241 PolarHBondContact O-N 3.09Å; L239-T241 VanDerWaalsContact C-N 3.3Å; L239-T241 PolarHBondContact O-N 3.37Å; T241-N245 VanDerWaalsContact O-CG 3.31Å; T241-N245 PolarHBondContact O-N 3.22Å; T241-N245 PolarHBondContact O-ND2 2.96Å |
| 242 | L | 92 | Very high | 89.5 | Confident | 72 Ų | 72 | 81.3 Ų | 81.3 | 38% | 0.377 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.5 | -50.1 | 178.4 | -178.8 | 69.2 | 0 | 0 | 0 | 111.3 | T238 L239 N245 L246 L263 | T238-L242 WeakPolarHBondContact O-CB 3.45Å; T238-L242 PolarHBondContact O-N 2.8Å; L239-L242 PolarHBondContact O-N 3.08Å; L242-N245 PolarHBondContact O-N 3.38Å; L242-L246 HydrophobicContact CD1-CD1 4.06Å; L242-L246 HydrophobicContact CG-CD1 3.86Å; L242-L246 VanDerWaalsContact O-CG 3.31Å; L242-L246 WeakPolarHBondContact O-CG 3.38Å; L242-L246 PolarHBondContact O-N 3.25Å; L242-L246 VanDerWaalsContact O-N 3.13Å; L242-L263 HydrophobicContact CD2-CD1 4.38Å |
| 243 | F | 92.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 84.1 Ų | 84.1 | 0% | 0 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -73.1 | -31.9 | -177.1 | -62.7 | -38.2 | 0 | 0 | 0 | 113.3 | L239 N245 L246 I247 Y250 R255 L258 A259 I262 L263 | L239-F243 HydrophobicContact CB-CD2 4.35Å; L239-F243 HydrophobicContact CB-CE2 4.05Å; L239-F243 HydrophobicContact CD2-CE2 4.19Å; L239-F243 HydrophobicContact CD2-CZ 4.14Å; L239-F243 WeakPolarHBondContact O-CB 3Å; L239-F243 WeakPolarHBondContact O-CD2 3.34Å; L239-F243 WeakPolarHBondContact O-CG 3.04Å; L239-F243 PolarHBondContact O-N 3.33Å; F243-N245 PolarHBondContact O-N 3.13Å; F243-L246 HydrophobicContact CD1-CD1 4.37Å; F243-L246 PolarHBondContact O-N 3.16Å; F243-L246 VanDerWaalsContact O-N 3.16Å; F243-I247 PolarHBondContact O-N 3.12Å; F243-Y250 HydrophobicContact CB-CD1 4.35Å; F243-Y250 HydrophobicContact CB-CD2 3.42Å; F243-Y250 VanDerWaalsContact CB-CD2 3.42Å; F243-Y250 HydrophobicContact CB-CE1 4.27Å; F243-Y250 HydrophobicContact CB-CE2 3.31Å; F243-Y250 HydrophobicContact CB-CG 3.94Å; F243-Y250 AromaticContact CD2-CE2 3.73Å; F243-Y250 HydrophobicContact CD2-CE2 3.73Å; F243-Y250 HydrophobicContact CG-CD2 4.38Å; F243-Y250 AromaticContact CG-CE2 3.92Å; F243-Y250 HydrophobicContact CG-CE2 3.92Å; F243-R255 HydrophobicContact CD2-CG 4.31Å; F243-R255 HydrophobicContact CE2-CG 4.2Å; F243-L258 HydrophobicContact CD1-CB 4.43Å; F243-L258 HydrophobicContact CD2-CB 4.06Å; F243-L258 HydrophobicContact CD2-CD1 4.32Å; F243-L258 HydrophobicContact CE1-CB 4.15Å; F243-L258 HydrophobicContact CE2-CB 3.73Å; F243-L258 HydrophobicContact CG-CB 4.41Å; F243-L258 HydrophobicContact CG-CD1 4.33Å; F243-L258 HydrophobicContact CZ-CB 3.8Å; F243-A259 HydrophobicContact CE2-CB 4.3Å; F243-A259 HydrophobicContact CZ-CB 4.27Å; F243-I262 HydrophobicContact CD1-CD1 4.17Å; F243-I262 HydrophobicContact CE1-CB 4.44Å; F243-I262 HydrophobicContact CE1-CD1 3.81Å; F243-L263 HydrophobicContact CZ-CD1 4.33Å |
| 244 | H | 91.5 | Very high | 89.4 | Confident | 125 Ų | 125 | 84.4 Ų | 84.4 | 58% | 0.579 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.1 | -32.1 | 172.1 | -165.8 | 69 | 0 | 0 | 0 | 112.2 | D240 Y250 | D240-H244 WeakPolarHBondContact O-CB 3.47Å; D240-H244 PolarHBondContact O-N 3.3Å; H244-Y250 HydrophobicContact CB-CD1 4.09Å |
| 245 | N | 90.1 | Very high | 89.3 | Confident | 127 Ų | 127 | 80.4 Ų | 80.4 | 68% | 0.679 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -79 | -23.9 | 174.2 | -68.6 | -34.3 | 0 | 0 | 0 | 113.5 | T241 L242 F243 | T241-N245 VanDerWaalsContact O-CG 3.31Å; T241-N245 PolarHBondContact O-N 3.22Å; T241-N245 PolarHBondContact O-ND2 2.96Å; L242-N245 PolarHBondContact O-N 3.38Å; F243-N245 PolarHBondContact O-N 3.13Å |
| 246 | L | 89 | Confident | 89.1 | Confident | 111 Ų | 111 | 79.2 Ų | 79.2 | 58% | 0.581 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -94.2 | -28.3 | -177.5 | -70.7 | 170 | 0 | 0 | 0 | 113.8 | L242 F243 | L242-L246 HydrophobicContact CD1-CD1 4.06Å; L242-L246 HydrophobicContact CG-CD1 3.86Å; L242-L246 VanDerWaalsContact O-CG 3.31Å; L242-L246 WeakPolarHBondContact O-CG 3.38Å; L242-L246 PolarHBondContact O-N 3.25Å; L242-L246 VanDerWaalsContact O-N 3.13Å; F243-L246 HydrophobicContact CD1-CD1 4.37Å; F243-L246 PolarHBondContact O-N 3.16Å; F243-L246 VanDerWaalsContact O-N 3.16Å |
| 247 | I | 87.6 | Confident | 88.9 | Confident | 58 Ų | 58 | 81.4 Ų | 81.4 | 30% | 0.297 | 42% | 0.416 | S | S | . | . | trans | -128.9 | 118.3 | -170.8 | -57.1 | 171.3 | 0 | 0 | 0 | 109.7 | F243 N249 Y250 L258 | F243-I247 PolarHBondContact O-N 3.12Å; I247-N249 VanDerWaalsContact C-N 3.28Å; I247-N249 PolarHBondContact O-N 2.89Å; I247-Y250 WeakPolarHBondContact O-CB 3.38Å; I247-Y250 PolarHBondContact O-N 3.47Å; I247-L258 HydrophobicContact CD1-CD1 3.65Å; I247-L258 HydrophobicContact CD1-CD2 3.71Å; I247-L258 HydrophobicContact CD1-CG 4.31Å | ||
| 248 | E | 83.4 | Confident | 88.7 | Confident | 188 Ų | 188 | 76 Ų | 76 | 88% | 0.879 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -31.5 | -175.2 | -64.3 | 179.5 | 173.2 | 0 | 0 | 114.2 | ||
| 249 | N | 87.4 | Confident | 88.4 | Confident | 144 Ų | 144 | 72.8 Ų | 72.8 | 77% | 0.77 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | 42.3 | 178.8 | -65.2 | -53.1 | 0 | 0 | 0 | 112.1 | I247 E251 | I247-N249 VanDerWaalsContact C-N 3.28Å; I247-N249 PolarHBondContact O-N 2.89Å; N249-E251 PolarHBondContact O-N 3.33Å |
| 250 | Y | 91 | Very high | 88.1 | Confident | 30 Ų | 30 | 74.5 Ų | 74.5 | 12% | 0.118 | 39% | 0.389 | C | S | . | . | trans | -64.4 | 130.7 | 179.2 | 178 | -110.1 | 0 | 0 | 0 | 112.3 | D240 F243 H244 I247 R255 L258 | D240-Y250 HydrophobicContact CB-CE1 4.16Å; D240-Y250 WeakPolarHBondContact OD1-CE1 3.44Å; D240-Y250 PolarHBondContact OD1-OH 2.94Å; F243-Y250 HydrophobicContact CB-CD1 4.35Å; F243-Y250 HydrophobicContact CB-CD2 3.42Å; F243-Y250 VanDerWaalsContact CB-CD2 3.42Å; F243-Y250 HydrophobicContact CB-CE1 4.27Å; F243-Y250 HydrophobicContact CB-CE2 3.31Å; F243-Y250 HydrophobicContact CB-CG 3.94Å; F243-Y250 AromaticContact CD2-CE2 3.73Å; F243-Y250 HydrophobicContact CD2-CE2 3.73Å; F243-Y250 HydrophobicContact CG-CD2 4.38Å; F243-Y250 AromaticContact CG-CE2 3.92Å; F243-Y250 HydrophobicContact CG-CE2 3.92Å; H244-Y250 HydrophobicContact CB-CD1 4.09Å; I247-Y250 WeakPolarHBondContact O-CB 3.38Å; I247-Y250 PolarHBondContact O-N 3.47Å; Y250-R255 WeakPolarHBondContact OH-CA 3.35Å; Y250-R255 WeakPolarHBondContact OH-CB 3.22Å; Y250-R255 WeakPolarHBondContact OH-CG 3.36Å; Y250-L258 HydrophobicContact CD2-CD1 3.75Å; Y250-L258 HydrophobicContact CE2-CD1 3.63Å | ||
| 251 | E | 88 | Confident | 87.8 | Confident | 95 Ų | 95 | 80.2 Ų | 80.2 | 44% | 0.444 | 42% | 0.415 | S | S | . | . | trans | -122.6 | 136.9 | 167.7 | -67.2 | -171.8 | -129.3 | 0 | 0 | 110.3 | N249 K253 F254 | N249-E251 PolarHBondContact O-N 3.33Å; E251-K253 HydrophobicContact CB-CD 4.35Å; E251-K253 HydrophobicContact CB-CG 3.95Å; E251-K253 VanDerWaalsContact CD-CE 3.4Å; E251-K253 PolarHBondContact O-N 3.41Å; E251-K253 WeakPolarHBondContact OE1-CE 3.32Å; E251-K253 IonicContact OE1-NZ 3.59Å; E251-K253 PolarHBondContact OE1-NZ 3.48Å; E251-K253 WeakPolarHBondContact OE2-CD 3.23Å; E251-K253 WeakPolarHBondContact OE2-CE 3.31Å; E251-K253 IonicContact OE2-NZ 2.72Å; E251-K253 PolarHBondContact OE2-NZ 2.89Å; E251-F254 HydrophobicContact CB-CD2 3.9Å; E251-F254 HydrophobicContact CB-CE2 4.15Å; E251-F254 PolarHBondContact O-N 2.97Å | ||
| 252 | A | 86.3 | Confident | 87.4 | Confident | 54 Ų | 54 | 80.3 Ų | 80.3 | 45% | 0.446 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -58 | -18.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | F254 R255 | A252-F254 PolarHBondContact O-N 3.48Å; A252-R255 WeakPolarHBondContact O-CB 3.39Å; A252-R255 PolarHBondContact O-N 2.9Å |
| 253 | K | 87.4 | Confident | 87.1 | Confident | 109 Ų | 109 | 80.8 Ų | 80.8 | 47% | 0.474 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -65.3 | -25.1 | 173.7 | 72.1 | -171.4 | -177.3 | -154.9 | 0 | 113.1 | E251 | E251-K253 HydrophobicContact CB-CD 4.35Å; E251-K253 HydrophobicContact CB-CG 3.95Å; E251-K253 VanDerWaalsContact CD-CE 3.4Å; E251-K253 PolarHBondContact O-N 3.41Å; E251-K253 WeakPolarHBondContact OE1-CE 3.32Å; E251-K253 IonicContact OE1-NZ 3.59Å; E251-K253 PolarHBondContact OE1-NZ 3.48Å; E251-K253 WeakPolarHBondContact OE2-CD 3.23Å; E251-K253 WeakPolarHBondContact OE2-CE 3.31Å; E251-K253 IonicContact OE2-NZ 2.72Å; E251-K253 PolarHBondContact OE2-NZ 2.89Å |
| 254 | F | 85.1 | Confident | 86.6 | Confident | 95 Ų | 95 | 83.7 Ų | 83.7 | 42% | 0.417 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -93.3 | -6.1 | 179.5 | -59.2 | -59.9 | 0 | 0 | 0 | 113.1 | E251 A252 D256 S257 L258 | E251-F254 HydrophobicContact CB-CD2 3.9Å; E251-F254 HydrophobicContact CB-CE2 4.15Å; E251-F254 PolarHBondContact O-N 2.97Å; A252-F254 PolarHBondContact O-N 3.48Å; F254-D256 VanDerWaalsContact C-N 3.35Å; F254-D256 PolarHBondContact O-N 3.46Å; F254-S257 WeakPolarHBondContact O-CB 3.49Å; F254-S257 PolarHBondContact O-N 2.9Å; F254-L258 HydrophobicContact CB-CD1 3.82Å; F254-L258 HydrophobicContact CB-CG 4.19Å; F254-L258 WeakPolarHBondContact O-CB 3.4Å; F254-L258 WeakPolarHBondContact O-CG 3.37Å; F254-L258 PolarHBondContact O-N 3.22Å |
| 255 | R | 86.9 | Confident | 85.9 | Confident | 24 Ų | 24 | 81.7 Ų | 81.7 | 9% | 0.091 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -47.2 | -54.4 | -175.2 | -172.5 | -178.3 | 52.1 | -121.4 | -10.5 | 112.8 | H236 L239 D240 F243 Y250 A252 S257 L258 A259 | H236-R255 PolarHBondContact CE1-NH2 3.5Å; H236-R255 VanDerWaalsContact CE1-NH2 3.33Å; H236-R255 VanDerWaalsContact CG-CZ 3.47Å; H236-R255 PolarHBondContact ND1-NH2 3.46Å; H236-R255 VanDerWaalsContact ND1-NH2 3.17Å; L239-R255 HydrophobicContact CB-CG 3.97Å; L239-R255 HydrophobicContact CD1-CG 4.33Å; D240-R255 WeakPolarHBondContact OD1-CD 3.47Å; D240-R255 IonicContact OD1-NH1 2.81Å; D240-R255 IonicContact OD2-NH1 3.96Å; D240-R255 PolarHBondContact OD2-NH1 2.94Å; F243-R255 HydrophobicContact CD2-CG 4.31Å; F243-R255 HydrophobicContact CE2-CG 4.2Å; Y250-R255 WeakPolarHBondContact OH-CA 3.35Å; Y250-R255 WeakPolarHBondContact OH-CB 3.22Å; Y250-R255 WeakPolarHBondContact OH-CG 3.36Å; A252-R255 WeakPolarHBondContact O-CB 3.39Å; A252-R255 PolarHBondContact O-N 2.9Å; R255-S257 VanDerWaalsContact C-N 3.3Å; R255-S257 PolarHBondContact O-N 3.38Å; R255-L258 PolarHBondContact O-N 2.92Å; R255-A259 WeakPolarHBondContact O-CB 3.44Å; R255-A259 PolarHBondContact O-N 3.49Å |
| 256 | D | 84.9 | Confident | 85 | Confident | 54 Ų | 54 | 80.1 Ų | 80.1 | 29% | 0.289 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -71 | -30.7 | -173.5 | -56.4 | -15.8 | 0 | 0 | 0 | 111.4 | F254 T260 | F254-D256 VanDerWaalsContact C-N 3.35Å; F254-D256 PolarHBondContact O-N 3.46Å; D256-T260 WeakPolarHBondContact O-CB 3.43Å; D256-T260 PolarHBondContact O-N 3.19Å; D256-T260 VanDerWaalsContact O-N 3.09Å; D256-T260 PolarHBondContact O-OG1 2.96Å |
| 257 | S | 85.7 | Confident | 83.7 | Confident | 74 Ų | 74 | 78.5 Ų | 78.5 | 52% | 0.517 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.2 | -46.2 | 174 | -60 | 0 | 0 | 0 | 0 | 110.9 | F254 R255 T260 E261 | F254-S257 WeakPolarHBondContact O-CB 3.49Å; F254-S257 PolarHBondContact O-N 2.9Å; R255-S257 VanDerWaalsContact C-N 3.3Å; R255-S257 PolarHBondContact O-N 3.38Å; S257-T260 WeakPolarHBondContact O-CB 3.16Å; S257-T260 PolarHBondContact O-N 2.96Å; S257-E261 WeakPolarHBondContact O-CB 3.23Å; S257-E261 PolarHBondContact O-N 3.35Å |
| 258 | L | 86 | Confident | 82.3 | Confident | 25 Ų | 25 | 82.5 Ų | 82.5 | 13% | 0.131 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -67 | -38.8 | 177.2 | -70.7 | 167.7 | 0 | 0 | 0 | 112.1 | F243 I247 Y250 F254 R255 T260 E261 I262 | F243-L258 HydrophobicContact CD1-CB 4.43Å; F243-L258 HydrophobicContact CD2-CB 4.06Å; F243-L258 HydrophobicContact CD2-CD1 4.32Å; F243-L258 HydrophobicContact CE1-CB 4.15Å; F243-L258 HydrophobicContact CE2-CB 3.73Å; F243-L258 HydrophobicContact CG-CB 4.41Å; F243-L258 HydrophobicContact CG-CD1 4.33Å; F243-L258 HydrophobicContact CZ-CB 3.8Å; I247-L258 HydrophobicContact CD1-CD1 3.65Å; I247-L258 HydrophobicContact CD1-CD2 3.71Å; I247-L258 HydrophobicContact CD1-CG 4.31Å; Y250-L258 HydrophobicContact CD2-CD1 3.75Å; Y250-L258 HydrophobicContact CE2-CD1 3.63Å; F254-L258 HydrophobicContact CB-CD1 3.82Å; F254-L258 HydrophobicContact CB-CG 4.19Å; F254-L258 WeakPolarHBondContact O-CB 3.4Å; F254-L258 WeakPolarHBondContact O-CG 3.37Å; F254-L258 PolarHBondContact O-N 3.22Å; R255-L258 PolarHBondContact O-N 2.92Å; L258-T260 VanDerWaalsContact C-N 3.25Å; L258-T260 PolarHBondContact O-N 2.96Å; L258-E261 PolarHBondContact O-N 3.49Å; L258-I262 HydrophobicContact CB-CD1 4.27Å; L258-I262 HydrophobicContact CD2-CD1 3.96Å; L258-I262 VanDerWaalsContact O-CB 3.25Å; L258-I262 WeakPolarHBondContact O-CB 3.43Å; L258-I262 WeakPolarHBondContact O-CG1 3.18Å; L258-I262 PolarHBondContact O-N 3.04Å |
| 259 | A | 86.5 | Confident | 81.3 | Confident | 5 Ų | 5 | 78.3 Ų | 78.3 | 4% | 0.041 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.2 | -38.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | L239 F243 R255 L263 G264 L265 | L239-A259 HydrophobicContact CD1-CB 4.09Å; F243-A259 HydrophobicContact CE2-CB 4.3Å; F243-A259 HydrophobicContact CZ-CB 4.27Å; R255-A259 WeakPolarHBondContact O-CB 3.44Å; R255-A259 PolarHBondContact O-N 3.49Å; A259-L263 CarbonylContact O-C 3.51Å; A259-L263 WeakPolarHBondContact O-CA 3.39Å; A259-L263 WeakPolarHBondContact O-CB 3.41Å; A259-L263 PolarHBondContact O-N 3.09Å; A259-G264 PolarHBondContact O-N 3.32Å; A259-L265 HydrophobicContact CB-CB 4.27Å; A259-L265 HydrophobicContact CB-CD1 4.06Å; A259-L265 PolarHBondContact O-N 3.07Å |
| 260 | T | 86 | Confident | 80.3 | Confident | 52 Ų | 52 | 73.8 Ų | 73.8 | 32% | 0.319 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -71.1 | -42 | 175.1 | -50.9 | 0 | 0 | 0 | 0 | 112.3 | D256 S257 L258 G264 L265 S267 | D256-T260 WeakPolarHBondContact O-CB 3.43Å; D256-T260 PolarHBondContact O-N 3.19Å; D256-T260 VanDerWaalsContact O-N 3.09Å; D256-T260 PolarHBondContact O-OG1 2.96Å; S257-T260 WeakPolarHBondContact O-CB 3.16Å; S257-T260 PolarHBondContact O-N 2.96Å; L258-T260 VanDerWaalsContact C-N 3.25Å; L258-T260 PolarHBondContact O-N 2.96Å; T260-G264 VanDerWaalsContact O-CA 3.29Å; T260-G264 WeakPolarHBondContact O-CA 3.43Å; T260-G264 PolarHBondContact O-N 2.85Å; T260-L265 WeakPolarHBondContact CA-O 3.46Å; T260-L265 WeakPolarHBondContact CB-O 3.33Å; T260-L265 WeakPolarHBondContact CG2-O 3.24Å; T260-L265 PolarHBondContact OG1-O 2.7Å; T260-S267 WeakPolarHBondContact OG1-CB 3.5Å; T260-S267 PolarHBondContact OG1-N 2.83Å |
| 261 | E | 84.9 | Confident | 79.1 | Confident | 157 Ų | 157 | 80.7 Ų | 80.7 | 73% | 0.734 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -76.8 | -44.3 | -175.2 | -173.7 | 174.1 | -176.2 | 0 | 0 | 113 | S257 L258 | S257-E261 WeakPolarHBondContact O-CB 3.23Å; S257-E261 PolarHBondContact O-N 3.35Å; L258-E261 PolarHBondContact O-N 3.49Å |
| 262 | I | 83.6 | Confident | 77.7 | Confident | 87 Ų | 87 | 80.2 Ų | 80.2 | 45% | 0.446 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -89.3 | -45.2 | -173.2 | -59.5 | 173.9 | 0 | 0 | 0 | 111.2 | F243 L258 | F243-I262 HydrophobicContact CD1-CD1 4.17Å; F243-I262 HydrophobicContact CE1-CB 4.44Å; F243-I262 HydrophobicContact CE1-CD1 3.81Å; L258-I262 HydrophobicContact CB-CD1 4.27Å; L258-I262 HydrophobicContact CD2-CD1 3.96Å; L258-I262 VanDerWaalsContact O-CB 3.25Å; L258-I262 WeakPolarHBondContact O-CB 3.43Å; L258-I262 WeakPolarHBondContact O-CG1 3.18Å; L258-I262 PolarHBondContact O-N 3.04Å |
| 263 | L | 84.9 | Confident | 76.7 | Confident | 83 Ų | 83 | 84.7 Ų | 84.7 | 44% | 0.435 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -101.1 | -5.7 | -173.8 | -57.4 | 175.2 | 0 | 0 | 0 | 113 | L239 L242 F243 A259 L265 | L239-L263 HydrophobicContact CD2-CD1 3.37Å; L242-L263 HydrophobicContact CD2-CD1 4.38Å; F243-L263 HydrophobicContact CZ-CD1 4.33Å; A259-L263 CarbonylContact O-C 3.51Å; A259-L263 WeakPolarHBondContact O-CA 3.39Å; A259-L263 WeakPolarHBondContact O-CB 3.41Å; A259-L263 PolarHBondContact O-N 3.09Å; L263-L265 HydrophobicContact CB-CD1 4.15Å; L263-L265 HydrophobicContact CB-CG 3.9Å; L263-L265 HydrophobicContact CD1-CD1 4Å; L263-L265 PolarHBondContact O-N 3.42Å |
| 264 | G | 81.7 | Confident | 75.8 | Confident | 61 Ų | 61 | 80.7 Ų | 80.7 | 63% | 0.629 | 45% | 0.445 | S | S | * | . | trans | 66.7 | 16.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A259 T260 S266 | A259-G264 PolarHBondContact O-N 3.32Å; T260-G264 VanDerWaalsContact O-CA 3.29Å; T260-G264 WeakPolarHBondContact O-CA 3.43Å; T260-G264 PolarHBondContact O-N 2.85Å; G264-S266 PolarHBondContact O-N 3.04Å | ||
| 265 | L | 76.8 | Confident | 74.7 | Confident | 82 Ų | 82 | 82.6 Ų | 82.6 | 43% | 0.429 | 46% | 0.46 | S | S | . | . | trans | -71.1 | 123.6 | 177.8 | -64.7 | 176 | 0 | 0 | 0 | 109.2 | L239 A259 T260 L263 S267 | L239-L265 HydrophobicContact CD1-CD1 4.41Å; L239-L265 HydrophobicContact CD2-CD1 4.47Å; A259-L265 HydrophobicContact CB-CB 4.27Å; A259-L265 HydrophobicContact CB-CD1 4.06Å; A259-L265 PolarHBondContact O-N 3.07Å; T260-L265 WeakPolarHBondContact CA-O 3.46Å; T260-L265 WeakPolarHBondContact CB-O 3.33Å; T260-L265 WeakPolarHBondContact CG2-O 3.24Å; T260-L265 PolarHBondContact OG1-O 2.7Å; L263-L265 HydrophobicContact CB-CD1 4.15Å; L263-L265 HydrophobicContact CB-CG 3.9Å; L263-L265 HydrophobicContact CD1-CD1 4Å; L263-L265 PolarHBondContact O-N 3.42Å; L265-S267 PolarHBondContact O-N 3.22Å; L265-S267 VanDerWaalsContact O-N 3.14Å | ||
| 266 | S | 71.2 | Confident | 73.4 | Confident | 94 Ų | 94 | 85 Ų | 85 | 66% | 0.657 | 47% | 0.471 | S | S | * | . | trans | -61.5 | 121.1 | 178.7 | 55.9 | 0 | 0 | 0 | 0 | 111.3 | G264 R268 | G264-S266 PolarHBondContact O-N 3.04Å; S266-R268 PolarHBondContact O-N 2.93Å; S266-R268 VanDerWaalsContact O-N 3.12Å | ||
| 267 | S | 63.5 | Low | 72.5 | Confident | 77 Ų | 77 | 83.7 Ų | 83.7 | 54% | 0.538 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -57 | -24.4 | 172.2 | 57.3 | 0 | 0 | 0 | 0 | 113.8 | T260 L265 L269 | T260-S267 WeakPolarHBondContact OG1-CB 3.5Å; T260-S267 PolarHBondContact OG1-N 2.83Å; L265-S267 PolarHBondContact O-N 3.22Å; L265-S267 VanDerWaalsContact O-N 3.14Å; S267-L269 PolarHBondContact O-N 3.38Å |
| 268 | R | 57.9 | Low | 71.3 | Confident | 142 Ų | 142 | 82.7 Ų | 82.7 | 54% | 0.536 | 46% | 0.458 | S | S | . | . | trans | -83 | 104.7 | 176.2 | -66.7 | -173 | 175.4 | -129 | -10.7 | 109.7 | S266 C270 | S266-R268 PolarHBondContact O-N 2.93Å; S266-R268 VanDerWaalsContact O-N 3.12Å; R268-C270 PolarHBondContact O-N 3.4Å | ||
| 269 | L | 61.4 | Low | 69.8 | Low | 101 Ų | 101 | 85.6 Ų | 85.6 | 53% | 0.529 | 47% | 0.474 | S | S | . | . | trans | -64.7 | -19.9 | 177.3 | -69.8 | 156.3 | 0 | 0 | 0 | 113.3 | R232 S267 | R232-L269 VanDerWaalsContact NH2-CD1 3.34Å; S267-L269 PolarHBondContact O-N 3.38Å | ||
| 270 | C | 66.2 | Low | 68.3 | Low | 49 Ų | 49 | 87 Ų | 87 | 33% | 0.331 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -166.5 | 178.7 | 172.5 | -153.2 | 0 | 0 | 0 | 0 | 111.6 | R268 C274 C277 | R268-C270 PolarHBondContact O-N 3.4Å; C270-C274 HydrophobicContact CB-CB 3.53Å; C270-C274 WeakPolarHBondContact CB-SG 3.19Å; C270-C274 WeakPolarHBondContact SG-CB 3.36Å; C270-C274 CovalentContact SG-SG 2.06Å; C270-C274 PolarHBondContact SG-SG 3.09Å; C270-C277 HydrophobicContact CB-CB 3.55Å; C270-C277 WeakPolarHBondContact CB-SG 3.35Å; C270-C277 VanDerWaalsContact SG-SG 3.7Å |
| 271 | F | 65.7 | Low | 66.8 | Low | 174 Ų | 174 | 85.8 Ų | 85.8 | 76% | 0.763 | 47% | 0.472 | S | S | * | . | trans | -59.7 | 148.5 | 161.7 | -66.4 | -80.2 | 0 | 0 | 0 | 110.6 | D273 C274 | F271-D273 PolarHBondContact O-N 2.86Å; F271-C274 WeakPolarHBondContact O-CB 3.35Å; F271-C274 PolarHBondContact O-N 3.44Å; F271-C274 VanDerWaalsContact O-N 3.14Å | ||
| 272 | P | 58.9 | Low | 65.3 | Low | 85 Ų | 85 | 81.9 Ų | 81.9 | 55% | 0.552 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -27.8 | -178.2 | 23.6 | -33.4 | 0 | 0 | 0 | 113.6 | C274 | P272-C274 VanDerWaalsContact C-N 3.29Å; P272-C274 PolarHBondContact O-N 3.15Å |
| 273 | D | 64.8 | Low | 63.5 | Low | 148 Ų | 148 | 86.8 Ų | 86.8 | 79% | 0.791 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 19.4 | -179.3 | -54.9 | -43.6 | 0 | 0 | 0 | 113.3 | F271 D275 | F271-D273 PolarHBondContact O-N 2.86Å; D273-D275 PolarHBondContact O-N 3.14Å |
| 274 | C | 70.1 | Confident | 61.7 | Low | 25 Ų | 25 | 89 Ų | 89 | 17% | 0.169 | 49% | 0.485 | C | S | . | . | trans | -84.5 | 93.6 | -174.7 | -176.6 | 0 | 0 | 0 | 0 | 110.9 | C270 F271 P272 F276 C277 S278 | C270-C274 HydrophobicContact CB-CB 3.53Å; C270-C274 WeakPolarHBondContact CB-SG 3.19Å; C270-C274 WeakPolarHBondContact SG-CB 3.36Å; C270-C274 CovalentContact SG-SG 2.06Å; C270-C274 PolarHBondContact SG-SG 3.09Å; F271-C274 WeakPolarHBondContact O-CB 3.35Å; F271-C274 PolarHBondContact O-N 3.44Å; F271-C274 VanDerWaalsContact O-N 3.14Å; P272-C274 VanDerWaalsContact C-N 3.29Å; P272-C274 PolarHBondContact O-N 3.15Å; C274-F276 PolarHBondContact O-N 3.15Å; C274-C277 HydrophobicContact CB-CB 4.29Å; C274-C277 PolarHBondContact O-N 3.37Å; C274-S278 PolarHBondContact O-N 3.14Å; C274-S278 PolarHBondContact O-OG 2.9Å | ||
| 275 | D | 60.9 | Low | 60.2 | Low | 136 Ų | 136 | 87.5 Ų | 87.5 | 73% | 0.727 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -48.1 | -34.3 | 177.2 | -70.9 | -26.2 | 0 | 0 | 0 | 113 | D273 | D273-D275 PolarHBondContact O-N 3.14Å |
| 276 | F | 59.6 | Low | 58.7 | Low | 75 Ų | 75 | 89.1 Ų | 89.1 | 33% | 0.329 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -70.7 | -40 | -178.8 | -164.8 | -99.8 | 0 | 0 | 0 | 113.1 | K225 L228 C274 L280 | K225-F276 HydrophobicContact CG-CE2 4.16Å; K225-F276 HydrophobicContact CG-CZ 4.17Å; L228-F276 HydrophobicContact CD1-CE1 3.65Å; L228-F276 HydrophobicContact CD1-CZ 3.78Å; C274-F276 PolarHBondContact O-N 3.15Å; F276-L280 HydrophobicContact CD1-CD1 3.72Å; F276-L280 HydrophobicContact CE1-CD1 3.58Å; F276-L280 HydrophobicContact CE1-CG 4.5Å; F276-L280 HydrophobicContact CZ-CD1 4.49Å; F276-L280 WeakPolarHBondContact O-CG 3.1Å; F276-L280 PolarHBondContact O-N 2.92Å |
| 277 | C | 65.3 | Low | 57.3 | Low | 26 Ų | 26 | 90.8 Ų | 90.8 | 18% | 0.176 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -84.6 | -29.4 | -177.9 | -68.7 | 0 | 0 | 0 | 0 | 112.6 | C270 C274 D279 L280 L281 | C270-C277 HydrophobicContact CB-CB 3.55Å; C270-C277 WeakPolarHBondContact CB-SG 3.35Å; C270-C277 VanDerWaalsContact SG-SG 3.7Å; C274-C277 HydrophobicContact CB-CB 4.29Å; C274-C277 PolarHBondContact O-N 3.37Å; C277-D279 PolarHBondContact O-N 2.94Å; C277-L280 PolarHBondContact O-N 3.13Å; C277-L280 VanDerWaalsContact O-N 3.12Å; C277-L281 WeakPolarHBondContact O-CD1 3.44Å; C277-L281 WeakPolarHBondContact O-CG 3.36Å; C277-L281 PolarHBondContact O-N 2.72Å; C277-L281 VanDerWaalsContact O-N 3.1Å |
| 278 | S | 61.3 | Low | 56.4 | Low | 52 Ų | 52 | 94 Ų | 94 | 36% | 0.364 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -53.6 | -36.7 | 169.6 | -64.1 | 0 | 0 | 0 | 0 | 112.3 | C274 R286 | C274-S278 PolarHBondContact O-N 3.14Å; C274-S278 PolarHBondContact O-OG 2.9Å; S278-R286 PolarHBondContact O-NE 2.84Å; S278-R286 PolarHBondContact O-NH2 3.43Å |
| 279 | D | 55.2 | Low | 56 | Low | 87 Ų | 87 | 90.5 Ų | 90.5 | 47% | 0.465 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -77.4 | -33.4 | 177.5 | -79.5 | -12.8 | 0 | 0 | 0 | 114 | K225 C277 | K225-D279 IonicContact NZ-OD2 3.99Å; K225-D279 PolarHBondContact NZ-OD2 3.41Å; C277-D279 PolarHBondContact O-N 2.94Å |
| 280 | L | 54 | Low | 55.2 | Low | 33 Ų | 33 | 92.1 Ų | 92.1 | 17% | 0.173 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -77.7 | -23 | -178.8 | -72 | 169 | 0 | 0 | 0 | 113.1 | K225 L228 I229 F276 C277 T282 | K225-L280 HydrophobicContact CB-CD2 4.27Å; K225-L280 HydrophobicContact CG-CD2 4.37Å; L228-L280 HydrophobicContact CB-CD2 4.42Å; I229-L280 HydrophobicContact CD1-CD2 4.26Å; I229-L280 HydrophobicContact CG1-CD2 3.8Å; F276-L280 HydrophobicContact CD1-CD1 3.72Å; F276-L280 HydrophobicContact CE1-CD1 3.58Å; F276-L280 HydrophobicContact CE1-CG 4.5Å; F276-L280 HydrophobicContact CZ-CD1 4.49Å; F276-L280 WeakPolarHBondContact O-CG 3.1Å; F276-L280 PolarHBondContact O-N 2.92Å; C277-L280 PolarHBondContact O-N 3.13Å; C277-L280 VanDerWaalsContact O-N 3.12Å; L280-T282 PolarHBondContact O-N 3.34Å |
| 281 | L | 55.7 | Low | 53.8 | Low | 28 Ų | 28 | 94.5 Ų | 94.5 | 15% | 0.147 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -65.7 | 114.5 | 172.8 | -72.2 | 152.5 | 0 | 0 | 0 | 108.7 | C277 E285 R286 | C277-L281 WeakPolarHBondContact O-CD1 3.44Å; C277-L281 WeakPolarHBondContact O-CG 3.36Å; C277-L281 PolarHBondContact O-N 2.72Å; C277-L281 VanDerWaalsContact O-N 3.1Å; L281-E285 HydrophobicContact CB-CB 4.18Å; L281-E285 HydrophobicContact CD2-CB 3.49Å; L281-E285 VanDerWaalsContact CD2-CB 3.49Å; L281-E285 HydrophobicContact CD2-CG 4.47Å; L281-E285 HydrophobicContact CG-CB 4.46Å; L281-R286 HydrophobicContact CB-CG 3.71Å; L281-R286 PolarHBondContact O-NE 3Å |
| 282 | T | 52.4 | Low | 52.5 | Low | 74 Ų | 74 | 93.2 Ų | 93.2 | 45% | 0.454 | 46% | 0.459 | S | S | . | . | trans | -54.6 | 152.8 | 166.6 | 49.2 | 0 | 0 | 0 | 0 | 109.2 | L280 D284 E285 R286 | L280-T282 PolarHBondContact O-N 3.34Å; T282-D284 PolarHBondContact O-N 3.26Å; T282-E285 PolarHBondContact O-N 3.17Å; T282-E285 WeakPolarHBondContact OG1-CG 3.48Å; T282-R286 PolarHBondContact O-N 2.9Å | ||
| 283 | R | 47.1 | Very low | 51.7 | Low | 190 Ų | 190 | 93.5 Ų | 93.5 | 72% | 0.717 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -49.2 | -35.5 | -175.1 | -170.5 | -180 | 177 | -178.6 | -1.4 | 112.6 | Y287 | R283-Y287 HydrophobicContact CG-CE2 4.11Å; R283-Y287 WeakPolarHBondContact O-CD2 3.36Å; R283-Y287 WeakPolarHBondContact O-CE2 3.34Å |
| 284 | D | 47 | Very low | 50.7 | Low | 131 Ų | 131 | 93 Ų | 93 | 70% | 0.701 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -70.1 | -33.7 | 177.4 | -74.5 | -31.5 | 0 | 0 | 0 | 114.2 | T282 | T282-D284 PolarHBondContact O-N 3.26Å |
| 285 | E | 48.7 | Very low | 48.9 | Very low | 29 Ų | 29 | 97 Ų | 97 | 14% | 0.136 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -77.1 | -30 | -179.4 | -68.1 | -96.1 | 135.6 | 0 | 0 | 112.5 | R232 L281 T282 Y287 R288 T289 | R232-E285 IonicContact CZ-OE2 3.48Å; R232-E285 IonicContact NH1-OE2 2.99Å; R232-E285 PolarHBondContact NH1-OE2 3.37Å; R232-E285 IonicContact NH2-OE1 3.74Å; R232-E285 IonicContact NH2-OE2 2.63Å; R232-E285 PolarHBondContact NH2-OE2 3.31Å; L281-E285 HydrophobicContact CB-CB 4.18Å; L281-E285 HydrophobicContact CD2-CB 3.49Å; L281-E285 VanDerWaalsContact CD2-CB 3.49Å; L281-E285 HydrophobicContact CD2-CG 4.47Å; L281-E285 HydrophobicContact CG-CB 4.46Å; T282-E285 PolarHBondContact O-N 3.17Å; T282-E285 WeakPolarHBondContact OG1-CG 3.48Å; E285-Y287 VanDerWaalsContact C-N 3.26Å; E285-Y287 PolarHBondContact O-N 2.91Å; E285-R288 PolarHBondContact O-N 3.34Å; E285-T289 PolarHBondContact O-N 3.24Å; E285-T289 VanDerWaalsContact O-N 3.09Å; E285-T289 PolarHBondContact O-OG1 2.96Å |
| 286 | R | 45.4 | Very low | 47.5 | Very low | 116 Ų | 116 | 99 Ų | 99 | 44% | 0.438 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.4 | -37.5 | 173.8 | -66.3 | -173.5 | -175.4 | 161.8 | 2.2 | 112 | S278 L281 T282 R288 Q290 | S278-R286 PolarHBondContact O-NE 2.84Å; S278-R286 PolarHBondContact O-NH2 3.43Å; L281-R286 HydrophobicContact CB-CG 3.71Å; L281-R286 PolarHBondContact O-NE 3Å; T282-R286 PolarHBondContact O-N 2.9Å; R286-R288 VanDerWaalsContact C-N 3.32Å; R286-Q290 PolarHBondContact O-N 2.97Å |
| 287 | Y | 42 | Very low | 46.5 | Very low | 129 Ų | 129 | 100.7 Ų | 100.7 | 51% | 0.506 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.8 | -32.9 | 174.8 | -69.7 | -71.1 | 0 | 0 | 0 | 111.7 | R283 E285 N291 | R283-Y287 HydrophobicContact CG-CE2 4.11Å; R283-Y287 WeakPolarHBondContact O-CD2 3.36Å; R283-Y287 WeakPolarHBondContact O-CE2 3.34Å; E285-Y287 VanDerWaalsContact C-N 3.26Å; E285-Y287 PolarHBondContact O-N 2.91Å; Y287-N291 PolarHBondContact O-N 2.9Å; Y287-N291 PolarHBondContact O-ND2 3.05Å |
| 288 | R | 45.7 | Very low | 45 | Very low | 143 Ų | 143 | 106 Ų | 106 | 54% | 0.54 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72.4 | -42.2 | 178.8 | -75.8 | -168.4 | 171.3 | 167.9 | -1.2 | 113.2 | E285 R286 N291 H292 | E285-R288 PolarHBondContact O-N 3.34Å; R286-R288 VanDerWaalsContact C-N 3.32Å; R288-N291 PolarHBondContact O-N 2.9Å; R288-H292 PolarHBondContact O-CD2 3.22Å; R288-H292 PolarHBondContact O-N 3.03Å; R288-H292 VanDerWaalsContact O-N 3.15Å |
| 289 | T | 48.8 | Very low | 43.5 | Very low | 69 Ų | 69 | 108.7 Ų | 108.7 | 42% | 0.423 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.7 | -40.7 | 179.1 | 14.6 | 0 | 0 | 0 | 0 | 112.2 | E285 N291 H292 D293 | E285-T289 PolarHBondContact O-N 3.24Å; E285-T289 VanDerWaalsContact O-N 3.09Å; E285-T289 PolarHBondContact O-OG1 2.96Å; T289-N291 VanDerWaalsContact C-N 3.31Å; T289-N291 PolarHBondContact O-N 3.4Å; T289-H292 PolarHBondContact O-N 3.06Å; T289-D293 PolarHBondContact O-N 3.23Å |
| 290 | Q | 45.1 | Very low | 42.4 | Very low | 136 Ų | 136 | 113.3 Ų | 113.3 | 64% | 0.636 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.4 | -35.8 | 174.4 | -84.5 | -174.9 | -7.4 | 0 | 0 | 113.2 | R286 D293 L294 | R286-Q290 PolarHBondContact O-N 2.97Å; Q290-D293 PolarHBondContact O-N 2.91Å; Q290-L294 PolarHBondContact O-N 3.23Å |
| 291 | N | 35.8 | Very low | 41.7 | Very low | 98 Ų | 98 | 117.7 Ų | 117.7 | 52% | 0.524 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -71.8 | -32 | 177 | -77.5 | -49.9 | 0 | 0 | 0 | 112.7 | Y287 R288 T289 D293 L294 C295 | Y287-N291 PolarHBondContact O-N 2.9Å; Y287-N291 PolarHBondContact O-ND2 3.05Å; R288-N291 PolarHBondContact O-N 2.9Å; T289-N291 VanDerWaalsContact C-N 3.31Å; T289-N291 PolarHBondContact O-N 3.4Å; N291-D293 VanDerWaalsContact C-N 3.34Å; N291-D293 PolarHBondContact O-N 3.48Å; N291-L294 PolarHBondContact O-N 3.14Å; N291-C295 PolarHBondContact O-N 3.44Å |
| 292 | H | 40 | Very low | 40.6 | Very low | 147 Ų | 147 | 121.6 Ų | 121.6 | 68% | 0.681 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.5 | -32.1 | 174.8 | -88.2 | -60.3 | 0 | 0 | 0 | 113.2 | R288 T289 C295 | R288-H292 PolarHBondContact O-CD2 3.22Å; R288-H292 PolarHBondContact O-N 3.03Å; R288-H292 VanDerWaalsContact O-N 3.15Å; T289-H292 PolarHBondContact O-N 3.06Å; H292-C295 PolarHBondContact O-N 3.05Å |
| 293 | D | 42.1 | Very low | 39.6 | Very low | 92 Ų | 92 | 128.8 Ų | 128.8 | 49% | 0.492 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -72.9 | -25.8 | 175.5 | -79.6 | -31.8 | 0 | 0 | 0 | 113 | T289 Q290 N291 C295 | T289-D293 PolarHBondContact O-N 3.23Å; Q290-D293 PolarHBondContact O-N 2.91Å; N291-D293 VanDerWaalsContact C-N 3.34Å; N291-D293 PolarHBondContact O-N 3.48Å; D293-C295 VanDerWaalsContact C-N 3.35Å |
| 294 | L | 42.3 | Very low | 38.8 | Very low | 137 Ų | 137 | 127.7 Ų | 127.7 | 72% | 0.717 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -72.9 | -24.6 | 173.3 | -74.1 | 162.3 | 0 | 0 | 0 | 113.3 | Q290 N291 | Q290-L294 PolarHBondContact O-N 3.23Å; N291-L294 PolarHBondContact O-N 3.14Å |
| 295 | C | 33 | Very low | 38.1 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 74% | 0.736 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | 4.7 | 178.8 | -76.1 | 0 | 0 | 0 | 0 | 114.2 | N291 H292 D293 P297 | N291-C295 PolarHBondContact O-N 3.44Å; H292-C295 PolarHBondContact O-N 3.05Å; D293-C295 VanDerWaalsContact C-N 3.35Å; C295-P297 WeakPolarHBondContact O-CD 3.49Å |
| 296 | R | 31.8 | Very low | 37.3 | Very low | 177 Ų | 177 | 131 Ų | 131 | 67% | 0.668 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -82.8 | 116.6 | 167.8 | -159.6 | 177.8 | -173.4 | -176.1 | 2 | 108.1 | N298 | R296-N298 VanDerWaalsContact C-N 3.34Å; R296-N298 PolarHBondContact O-N 2.97Å |
| 297 | P | 38.3 | Very low | 36.6 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 72% | 0.721 | 69% | 0.69 | S | S | * | * | trans | -62.4 | 102.8 | 172.7 | 24.2 | -30.4 | 0 | 0 | 0 | 107.5 | C295 S299 | C295-P297 WeakPolarHBondContact O-CD 3.49Å; P297-S299 VanDerWaalsContact C-N 3.31Å; P297-S299 PolarHBondContact O-N 3.45Å; P297-S299 PolarHBondContact O-OG 2.97Å | ||
| 298 | N | 34.7 | Very low | 35.9 | Very low | 139 Ų | 139 | 135.6 Ų | 135.6 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | trans | -66.1 | 94.9 | -177.3 | -147.5 | -0.9 | 0 | 0 | 0 | 107.3 | R296 Y300 | R296-N298 VanDerWaalsContact C-N 3.34Å; R296-N298 PolarHBondContact O-N 2.97Å; N298-Y300 PolarHBondContact O-N 2.86Å | ||
| 299 | S | 28.7 | Very low | 35.1 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | trans | -83.7 | 66.5 | 175.1 | 16.4 | 0 | 0 | 0 | 0 | 107.9 | P297 | P297-S299 VanDerWaalsContact C-N 3.31Å; P297-S299 PolarHBondContact O-N 3.45Å; P297-S299 PolarHBondContact O-OG 2.97Å | ||
| 300 | Y | 32.3 | Very low | 34.2 | Very low | 183 Ų | 183 | 136 Ų | 136 | 72% | 0.718 | 73% | 0.73 | S | S | * | * | trans | -130.2 | 120.1 | 162 | -81.7 | -77.5 | 0 | 0 | 0 | 108.5 | N298 S302 | N298-Y300 PolarHBondContact O-N 2.86Å; Y300-S302 PolarHBondContact O-N 3.39Å | ||
| 301 | P | 38.8 | Very low | 33.4 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | trans | -79.2 | 73.2 | 175.7 | 33.6 | -31.5 | 0 | 0 | 0 | 108.7 | R303 | P301-R303 VanDerWaalsContact C-N 3.26Å; P301-R303 PolarHBondContact O-N 3.48Å | ||
| 302 | S | 33.5 | Very low | 33 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | -81.6 | 84 | 168.5 | -76.2 | 0 | 0 | 0 | 0 | 109 | Y300 L304 | Y300-S302 PolarHBondContact O-N 3.39Å; S302-L304 PolarHBondContact O-N 2.74Å | ||
| 303 | R | 29.9 | Very low | 32.5 | Very low | 225 Ų | 225 | 137 Ų | 137 | 85% | 0.849 | 76% | 0.76 | S | S | * | * | trans | 10.5 | 105.4 | 144.9 | -68.8 | -177.6 | 166.7 | -160.2 | -4.2 | 115.1 | P301 V305 | P301-R303 VanDerWaalsContact C-N 3.26Å; P301-R303 PolarHBondContact O-N 3.48Å; R303-V305 PolarHBondContact O-N 2.59Å | ||
| 304 | L | 30.3 | Very low | 31.8 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | 16.2 | 84.4 | 126.6 | -64.9 | 167.7 | 0 | 0 | 0 | 114.6 | S302 | S302-L304 PolarHBondContact O-N 2.74Š| |||
| 305 | V | 33.2 | Very low | 31.5 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -111.5 | 84.2 | 139.9 | -179.8 | 0 | 0 | 0 | 0 | 105.3 | R303 Q307 | R303-V305 PolarHBondContact O-N 2.59Å; V305-Q307 PolarHBondContact O-N 3.02Å | ||
| 306 | S | 30.9 | Very low | 31.1 | Very low | 94 Ų | 94 | 140.3 Ų | 140.3 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | trans | -46.7 | 102 | 167 | 37.3 | 0 | 0 | 0 | 0 | 110.6 | I308 | S306-I308 PolarHBondContact O-N 3.16Š| ||
| 307 | Q | 31.2 | Very low | 31.6 | Very low | 182 Ų | 182 | 137.2 Ų | 137.2 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -72.2 | 116 | 152.4 | -70 | -175.2 | -2.7 | 0 | 0 | 106.6 | V305 P309 | V305-Q307 PolarHBondContact O-N 3.02Å; Q307-P309 WeakPolarHBondContact O-CD 3.36Å | ||
| 308 | I | 28.4 | Very low | 31.7 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | trans | -52.8 | 114.4 | -175.9 | -62.6 | 157.8 | 0 | 0 | 0 | 110.1 | S306 | S306-I308 PolarHBondContact O-N 3.16Š| ||
| 309 | P | 28.5 | Very low | 31.6 | Very low | 118 Ų | 118 | 139 Ų | 139 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | trans | -87.7 | 119 | 166.1 | 3.2 | 16.6 | 0 | 0 | 0 | 108.4 | Q307 N311 | Q307-P309 WeakPolarHBondContact O-CD 3.36Å; P309-N311 PolarHBondContact O-N 2.91Å | ||
| 310 | S | 30.6 | Very low | 31.5 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -70.7 | 119.8 | 172.1 | 66.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 311 | N | 27 | Very low | 31.4 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | trans | 44.1 | 104.6 | 144.8 | -59.9 | -4.3 | 0 | 0 | 0 | 118.1 | P309 | P309-N311 PolarHBondContact O-N 2.91Š| ||
| 312 | C | 28.7 | Very low | 30.7 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 90% | 0.899 | 79% | 0.786 | S | S | * | * | -165.8 | 150.4 | 127 | -100.2 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 313 | P | 29.5 | Very low | 30.5 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | -95.1 | 155.6 | -146.1 | 36 | -33.5 | 0 | 0 | 0 | 115.1 | ||||
| 314 | S | 25.9 | Very low | 30.2 | Very low | 96 Ų | 96 | 136.7 Ų | 136.7 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | trans | -42.1 | 149.5 | 166.2 | 50 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 315 | P | 35.8 | Very low | 30.4 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | -141.7 | 139.3 | 97.3 | 32.3 | -14.6 | 0 | 0 | 0 | 115.5 | |||||
| 316 | F | 26.2 | Very low | 29.9 | Very low | 186 Ų | 186 | 133.5 Ų | 133.5 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | trans | -57.5 | -176.7 | 160.7 | -78.2 | -79.5 | 0 | 0 | 0 | 114 | ||||
| 317 | P | 40.6 | Very low | 29.9 | Very low | 112 Ų | 112 | 137 Ų | 137 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | cis | -137.9 | -139 | -19.7 | 29.1 | -1.3 | 0 | 0 | 0 | 111.7 | ||||
| 318 | P | 41.8 | Very low | 29.6 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | -138 | -170.7 | -89.3 | 46.4 | -28 | 0 | 0 | 0 | 115.9 | |||||
| 319 | Q | 31.2 | Very low | 29.8 | Very low | 186 Ų | 186 | 134.6 Ų | 134.6 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | 97.4 | 135.1 | 145 | -77.1 | -170.4 | 14.1 | 0 | 0 | 122.3 | ||||
| 320 | I | 27.9 | Very low | 29.7 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 77% | 0.774 | 79% | 0.793 | S | S | * | * | trans | -98.5 | 136.2 | -170.7 | -62.7 | 159.5 | 0 | 0 | 0 | 107.5 | ||||
| 321 | S | 29.1 | Very low | 29.6 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -134.9 | 111.8 | 164.6 | -72 | 0 | 0 | 0 | 0 | 110 | ||||
| 322 | T | 25.2 | Very low | 29.4 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | trans | -81.3 | 128.7 | 168 | 33.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 323 | S | 28.3 | Very low | 29.3 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -128 | 120.2 | 166.1 | 44.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 324 | F | 25 | Very low | 29.1 | Very low | 195 Ų | 195 | 138.8 Ų | 138.8 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 137.7 | 172.4 | -73.3 | -92.9 | 0 | 0 | 0 | 109.9 | ||
| 325 | P | 33 | Very low | 29 | Very low | 125 Ų | 125 | 139 Ų | 139 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 121.6 | 169.5 | 31.7 | -26.4 | 0 | 0 | 0 | 112.2 | ||
| 326 | S | 23.8 | Very low | 28.7 | Very low | 110 Ų | 110 | 140.4 Ų | 140.4 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 139 | 156.8 | -86.5 | 0 | 0 | 0 | 0 | 109.5 | ||
| 327 | N | 30.6 | Very low | 28.7 | Very low | 166 Ų | 166 | 135.7 Ų | 135.7 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -151.3 | 101.5 | 153 | -91.5 | -24.1 | 0 | 0 | 0 | 109.8 | ||||
| 328 | D | 25.3 | Very low | 27.9 | Very low | 151 Ų | 151 | 136 Ų | 136 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | trans | -68.6 | 141.7 | 151.7 | -75.2 | -51.8 | 0 | 0 | 0 | 109.2 | ||||
| 329 | T | 32 | Very low | 27.2 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | 163.4 | 120.9 | 122.8 | -59.7 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 330 | A | 25.6 | Very low | 27 | Very low | 90 Ų | 90 | 138.3 Ų | 138.3 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | trans | -78.8 | 140.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 331 | R | 28.5 | Very low | 26.8 | Very low | 240 Ų | 240 | 134.2 Ų | 134.2 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | -170.6 | 100.8 | 151.8 | -114.4 | 179.1 | 179.1 | 171.8 | 0.1 | 106.6 | ||||
| 332 | S | 22.7 | Very low | 26.9 | Very low | 99 Ų | 99 | 134.8 Ų | 134.8 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | 64.5 | 119.7 | 79.8 | -67.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 333 | L | 26.7 | Very low | 27 | Very low | 160 Ų | 160 | 135.3 Ų | 135.3 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | 75.7 | 136.4 | 149.1 | -59.4 | 152.6 | 0 | 0 | 0 | 115.2 | ||||
| 334 | T | 26 | Very low | 27 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | cis | -172.8 | 154.2 | 21.2 | 11.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 335 | S | 24.7 | Very low | 27.1 | Very low | 102 Ų | 102 | 134.3 Ų | 134.3 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | trans | -10.3 | 143.3 | 155.9 | -48.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 336 | D | 28.8 | Very low | 26.9 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | 153.5 | 104 | 130.9 | -77.9 | -11.9 | 0 | 0 | 0 | 108.7 | ||||
| 337 | A | 25.1 | Very low | 27.1 | Very low | 88 Ų | 88 | 137.6 Ų | 137.6 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | 73 | 119.3 | 82.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 338 | S | 25 | Very low | 27.3 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | 77.7 | 117.3 | 160.2 | 75.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 339 | Y | 27.7 | Very low | 27.3 | Very low | 205 Ų | 205 | 135.2 Ų | 135.2 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | 156.7 | 114.5 | 107 | -155.8 | -101.9 | 0 | 0 | 0 | 111.9 | |||||
| 340 | I | 26.2 | Very low | 27.1 | Very low | 133 Ų | 133 | 140 Ų | 140 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | trans | 31.7 | 117.7 | 141.7 | -49.1 | -173.4 | 0 | 0 | 0 | 119.5 | ||||
| 341 | G | 24.2 | Very low | 27.2 | Very low | 66 Ų | 66 | 140.4 Ų | 140.4 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | trans | 90.7 | 107.2 | 135.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 342 | V | 30.3 | Very low | 27.3 | Very low | 133 Ų | 133 | 134.9 Ų | 134.9 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | 169.9 | 129.4 | 126.1 | 158.1 | 0 | 0 | 0 | 0 | 107.2 | N344 | V342-N344 PolarHBondContact O-N 2.93Å; V342-N344 VanDerWaalsContact O-N 3.09Å | |||
| 343 | V | 28.5 | Very low | 27.7 | Very low | 130 Ų | 130 | 136 Ų | 136 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | trans | -49.6 | 108.5 | 172 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 344 | N | 28.5 | Very low | 28.2 | Very low | 134 Ų | 134 | 134 Ų | 134 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | trans | -140.9 | 117.6 | 155.9 | -96 | -17.1 | 0 | 0 | 0 | 107.5 | V342 V346 | V342-N344 PolarHBondContact O-N 2.93Å; V342-N344 VanDerWaalsContact O-N 3.09Å; N344-V346 HydrophobicContact CB-CG2 4.34Å; N344-V346 PolarHBondContact O-N 3.3Å | ||
| 345 | N | 26.7 | Very low | 28.3 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | trans | -58.8 | 82.5 | 165.5 | -71.5 | -19.2 | 0 | 0 | 0 | 108.6 | ||||
| 346 | V | 28 | Very low | 28.6 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | -92.5 | 101.5 | 164.8 | -179.6 | 0 | 0 | 0 | 0 | 105.5 | N344 | N344-V346 HydrophobicContact CB-CG2 4.34Å; N344-V346 PolarHBondContact O-N 3.3Å | ||
| 347 | F | 28.2 | Very low | 28.5 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | trans | -39.3 | 130.5 | 161.5 | -91.5 | -99.3 | 0 | 0 | 0 | 109.5 | D349 | F347-D349 PolarHBondContact O-N 2.7Š| ||
| 348 | P | 34.1 | Very low | 28.7 | Very low | 122 Ų | 122 | 143.4 Ų | 143.4 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | trans | -61.5 | 114.3 | 178.6 | 23.3 | -30.7 | 0 | 0 | 0 | 109 | R350 | P348-R350 PolarHBondContact O-N 3.38Š| ||
| 349 | D | 26.1 | Very low | 29 | Very low | 146 Ų | 146 | 145.8 Ų | 145.8 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | trans | -59.3 | 128.6 | 173.8 | -165.1 | 5.2 | 0 | 0 | 0 | 109.3 | F347 S351 | F347-D349 PolarHBondContact O-N 2.7Å; D349-S351 PolarHBondContact O-N 3.1Å | ||
| 350 | R | 28.6 | Very low | 29.2 | Very low | 240 Ų | 240 | 144.8 Ų | 144.8 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -72.6 | 93.6 | -173.4 | -178.9 | -174.7 | -170.2 | 172.9 | 3.4 | 108 | P348 | P348-R350 PolarHBondContact O-N 3.38Š| ||
| 351 | S | 27.9 | Very low | 29.5 | Very low | 98 Ų | 98 | 145.3 Ų | 145.3 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | trans | -130.4 | 95.2 | 168.1 | 57.8 | 0 | 0 | 0 | 0 | 111.5 | D349 | D349-S351 PolarHBondContact O-N 3.1Š| ||
| 352 | T | 29.7 | Very low | 30.1 | Very low | 125 Ų | 125 | 152.6 Ų | 152.6 | 77% | 0.767 | 81% | 0.807 | S | S | * | * | 175 | 121.4 | 121.3 | 31.4 | 0 | 0 | 0 | 0 | 109 | V354 | T352-V354 PolarHBondContact O-N 3.4Š| |||
| 353 | P | 30.9 | Very low | 30.3 | Very low | 121 Ų | 121 | 152.1 Ų | 152.1 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -76.2 | 111.9 | 174.1 | 30.3 | -28.3 | 0 | 0 | 0 | 108 | D355 | P353-D355 VanDerWaalsContact C-N 3.35Å; P353-D355 PolarHBondContact O-N 2.6Å; P353-D355 VanDerWaalsContact O-N 3.13Å | ||
| 354 | V | 37.1 | Very low | 30.7 | Very low | 118 Ų | 118 | 150.7 Ų | 150.7 | 72% | 0.715 | 81% | 0.806 | S | S | * | * | trans | -76.1 | 97.8 | 161.3 | 178.6 | 0 | 0 | 0 | 0 | 106.2 | T352 R356 | T352-V354 PolarHBondContact O-N 3.4Å; V354-R356 HydrophobicContact CG1-CG 4.13Å; V354-R356 PolarHBondContact O-N 2.97Å | ||
| 355 | D | 28 | Very low | 30.9 | Very low | 156 Ų | 156 | 151.4 Ų | 151.4 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | -51.4 | 102.3 | 157.1 | -94.1 | -40.7 | 0 | 0 | 0 | 108.4 | P353 | P353-D355 VanDerWaalsContact C-N 3.35Å; P353-D355 PolarHBondContact O-N 2.6Å; P353-D355 VanDerWaalsContact O-N 3.13Å | ||
| 356 | R | 30.3 | Very low | 31.5 | Very low | 229 Ų | 229 | 151.8 Ų | 151.8 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -128.4 | 116.8 | 155 | -86.3 | -169.9 | 177.5 | 179.3 | 0.6 | 108.6 | V354 | V354-R356 HydrophobicContact CG1-CG 4.13Å; V354-R356 PolarHBondContact O-N 2.97Å | ||
| 357 | C | 27.9 | Very low | 32.1 | Very low | 121 Ų | 121 | 152.7 Ų | 152.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -50.3 | 152.1 | -174.6 | -56.9 | 0 | 0 | 0 | 0 | 113.9 | D359 | C357-D359 PolarHBondContact O-N 3.04Š| ||
| 358 | N | 28.2 | Very low | 32.5 | Very low | 157 Ų | 157 | 148.8 Ų | 148.8 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -16.2 | 116.9 | 154.4 | -80.3 | -12.1 | 0 | 0 | 0 | 114.3 | ||||
| 359 | D | 31.9 | Very low | 32.5 | Very low | 167 Ų | 167 | 145.7 Ų | 145.7 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -139.9 | 127.7 | 140.5 | -90.9 | -38.8 | 0 | 0 | 0 | 110 | C357 N361 | C357-D359 PolarHBondContact O-N 3.04Å; D359-N361 PolarHBondContact O-N 2.7Å | ||
| 360 | H | 32.7 | Very low | 33 | Very low | 184 Ų | 184 | 144.8 Ų | 144.8 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | trans | -61.9 | 110 | 177.2 | -74.3 | -50.9 | 0 | 0 | 0 | 110.7 | ||||
| 361 | N | 32.1 | Very low | 33.3 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | trans | -169.2 | 103.8 | 145.1 | -90.9 | -29.5 | 0 | 0 | 0 | 109.9 | D359 T363 | D359-N361 PolarHBondContact O-N 2.7Å; N361-T363 VanDerWaalsContact C-N 3.26Å; N361-T363 PolarHBondContact O-N 3.01Å | ||
| 362 | K | 36.4 | Very low | 33.8 | Very low | 219 Ų | 219 | 144.3 Ų | 144.3 | 95% | 0.952 | 79% | 0.791 | S | S | * | * | trans | -83 | 25.5 | -172 | -85.2 | -176.2 | 175.5 | -179.7 | 0 | 115.2 | ||||
| 363 | T | 34.3 | Very low | 34 | Very low | 123 Ų | 123 | 147.4 Ų | 147.4 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -138.1 | 121.6 | 172.8 | 48.9 | 0 | 0 | 0 | 0 | 108.4 | N361 | N361-T363 VanDerWaalsContact C-N 3.26Å; N361-T363 PolarHBondContact O-N 3.01Å |
| 364 | A | 36.5 | Very low | 34.3 | Very low | 99 Ų | 99 | 149.3 Ų | 149.3 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 93.2 | 57.7 | 178 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 365 | I | 33.7 | Very low | 34.2 | Very low | 150 Ų | 150 | 153.1 Ų | 153.1 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -140.4 | 70 | 148.2 | -46 | 176 | 0 | 0 | 0 | 109.2 | ||||
| 366 | I | 39 | Very low | 34.7 | Very low | 165 Ų | 165 | 151.2 Ų | 151.2 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -129.9 | 70.1 | 152.4 | -49.7 | 176.1 | 0 | 0 | 0 | 104.9 | ||||
| 367 | N | 39.8 | Very low | 35 | Very low | 139 Ų | 139 | 146.2 Ų | 146.2 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | -148.4 | 44.9 | 174.6 | -104.6 | -13.5 | 0 | 0 | 0 | 110.7 | ||||
| 368 | S | 37.8 | Very low | 35.8 | Very low | 101 Ų | 101 | 145.2 Ų | 145.2 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -129.9 | 4 | 174.3 | 51.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 369 | G | 33.4 | Very low | 36.3 | Very low | 57 Ų | 57 | 142.1 Ų | 142.1 | 59% | 0.588 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -98 | -27.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 370 | L | 37.7 | Very low | 36.7 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 67% | 0.665 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -83.3 | -12.5 | -170.8 | -83.6 | 162.6 | 0 | 0 | 0 | 115 | Q372 | L370-Q372 PolarHBondContact O-N 2.88Š|
| 371 | N | 34.8 | Very low | 37.4 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -78.4 | 2.2 | 178 | -75.4 | -21.5 | 0 | 0 | 0 | 114.3 | ||
| 372 | Q | 37.9 | Very low | 37.9 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -106.8 | -4.1 | 176.3 | -71.7 | -174.5 | 14.5 | 0 | 0 | 114.3 | L370 L374 | L370-Q372 PolarHBondContact O-N 2.88Å; Q372-L374 PolarHBondContact O-N 3.08Å; Q372-L374 VanDerWaalsContact O-N 3.13Å |
| 373 | Y | 34.2 | Very low | 38 | Very low | 190 Ų | 190 | 139 Ų | 139 | 75% | 0.745 | 76% | 0.755 | S | S | * | * | trans | -82.1 | 92.3 | 167.7 | -87.7 | -89.2 | 0 | 0 | 0 | 108.7 | F375 | Y373-F375 PolarHBondContact O-N 3.33Å; Y373-F375 VanDerWaalsContact O-N 3.08Å | ||
| 374 | L | 36.5 | Very low | 38.2 | Very low | 161 Ų | 161 | 142.3 Ų | 142.3 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | -57.1 | 112.5 | 159.6 | -88.2 | 104.1 | 0 | 0 | 0 | 107.3 | Q372 P376 | Q372-L374 PolarHBondContact O-N 3.08Å; Q372-L374 VanDerWaalsContact O-N 3.13Å; L374-P376 WeakPolarHBondContact O-CD 3.35Å | ||
| 375 | F | 35.9 | Very low | 38.2 | Very low | 198 Ų | 198 | 143.1 Ų | 143.1 | 87% | 0.868 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 122.3 | 166.2 | -77.5 | -91.3 | 0 | 0 | 0 | 108.4 | Y373 D377 | Y373-F375 PolarHBondContact O-N 3.33Å; Y373-F375 VanDerWaalsContact O-N 3.08Å; F375-D377 PolarHBondContact O-N 2.82Å |
| 376 | P | 37.2 | Very low | 38.3 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 136.4 | 167.9 | -17 | 30.4 | 0 | 0 | 0 | 108.7 | L374 | L374-P376 WeakPolarHBondContact O-CD 3.35Š|
| 377 | D | 37.8 | Very low | 38.3 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 66% | 0.663 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -48 | 133 | -178.6 | -101.5 | -42.2 | 0 | 0 | 0 | 111.6 | F375 S379 Y380 | F375-D377 PolarHBondContact O-N 2.82Å; D377-S379 PolarHBondContact O-N 2.87Å; D377-Y380 PolarHBondContact O-N 2.78Å |
| 378 | P | 44.7 | Very low | 38 | Very low | 100 Ų | 100 | 138.4 Ų | 138.4 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -67.2 | -1.7 | -172.5 | 26 | -33.8 | 0 | 0 | 0 | 114.5 | Y380 | P378-Y380 VanDerWaalsContact C-N 3.28Å; P378-Y380 PolarHBondContact O-N 2.9Å |
| 379 | S | 38.1 | Very low | 38 | Very low | 91 Ų | 91 | 142.6 Ų | 142.6 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -69.8 | -20.1 | 177.9 | 56.4 | 0 | 0 | 0 | 0 | 114.1 | D377 | D377-S379 PolarHBondContact O-N 2.87Š|
| 380 | Y | 40.3 | Very low | 38.1 | Very low | 194 Ų | 194 | 147.5 Ų | 147.5 | 76% | 0.761 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -92 | -6.3 | -178.1 | -78.4 | -79.9 | 0 | 0 | 0 | 114.9 | D377 P378 | D377-Y380 PolarHBondContact O-N 2.78Å; P378-Y380 VanDerWaalsContact C-N 3.28Å; P378-Y380 PolarHBondContact O-N 2.9Å |
| 381 | V | 47.7 | Very low | 38 | Very low | 120 Ų | 120 | 147.7 Ų | 147.7 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -91.4 | -13.4 | -172.2 | -177.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 382 | L | 41.6 | Very low | 38 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -93.8 | 1.9 | -176.4 | -83.2 | 164.9 | 0 | 0 | 0 | 115.5 | ||
| 383 | E | 40.1 | Very low | 37.9 | Very low | 170 Ų | 170 | 143.6 Ų | 143.6 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -96.8 | -0.2 | -173.3 | -141.2 | -174.6 | -178.2 | 0 | 0 | 115.1 | P385 | E383-P385 WeakPolarHBondContact O-CD 3.19Š|
| 384 | K | 38.5 | Very low | 37.7 | Very low | 191 Ų | 191 | 143.2 Ų | 143.2 | 83% | 0.83 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -102.4 | 109.9 | 172.6 | -107.6 | 176.4 | 177.6 | 174.5 | 0 | 110.2 | L386 | K384-L386 PolarHBondContact O-N 3.28Š|
| 385 | P | 35.9 | Very low | 37.6 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 76% | 0.76 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 130.9 | 168.7 | -18.5 | 29.5 | 0 | 0 | 0 | 109.1 | E383 | E383-P385 WeakPolarHBondContact O-CD 3.19Š|
| 386 | L | 35.7 | Very low | 37.7 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 86% | 0.859 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 129.6 | 172.8 | -69.5 | 165.4 | 0 | 0 | 0 | 108.5 | K384 S388 | K384-L386 PolarHBondContact O-N 3.28Å; L386-S388 PolarHBondContact O-N 3.46Å; L386-S388 VanDerWaalsContact O-N 3.09Å |
| 387 | P | 38.6 | Very low | 37.4 | Very low | 89 Ų | 89 | 141 Ų | 141 | 58% | 0.578 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 118.3 | 176.4 | -17.6 | 28.3 | 0 | 0 | 0 | 109.7 | Y389 | P387-Y389 HydrophobicContact CB-CD2 4.05Å; P387-Y389 HydrophobicContact CB-CE2 3.59Å; P387-Y389 HydrophobicContact CG-CE2 4.09Å; P387-Y389 WeakPolarHBondContact O-CD2 3.06Å; P387-Y389 PolarHBondContact O-N 3.25Å |
| 388 | S | 33.6 | Very low | 37.3 | Very low | 101 Ų | 101 | 143.5 Ų | 143.5 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | trans | -67.8 | 97.8 | 166.2 | 176.6 | 0 | 0 | 0 | 0 | 107.8 | L386 H390 | L386-S388 PolarHBondContact O-N 3.46Å; L386-S388 VanDerWaalsContact O-N 3.09Å; S388-H390 PolarHBondContact O-N 2.71Å; S388-H390 VanDerWaalsContact O-N 3.16Å | ||
| 389 | Y | 37.7 | Very low | 36.7 | Very low | 189 Ų | 189 | 147.2 Ų | 147.2 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | trans | -81.5 | 89.7 | 171.3 | -72.5 | -77.8 | 0 | 0 | 0 | 108.8 | P387 N391 | P387-Y389 HydrophobicContact CB-CD2 4.05Å; P387-Y389 HydrophobicContact CB-CE2 3.59Å; P387-Y389 HydrophobicContact CG-CE2 4.09Å; P387-Y389 WeakPolarHBondContact O-CD2 3.06Å; P387-Y389 PolarHBondContact O-N 3.25Å; Y389-N391 PolarHBondContact O-N 3.27Å | ||
| 390 | H | 34.7 | Very low | 36.3 | Very low | 160 Ų | 160 | 151.1 Ų | 151.1 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | trans | -59.7 | 104.2 | 149.9 | -82.7 | -80.2 | 0 | 0 | 0 | 107.1 | S388 N392 | S388-H390 PolarHBondContact O-N 2.71Å; S388-H390 VanDerWaalsContact O-N 3.16Å; H390-N392 PolarHBondContact O-N 3.44Å | ||
| 391 | N | 36.5 | Very low | 36 | Very low | 132 Ų | 132 | 153.7 Ų | 153.7 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | -68.9 | 76.8 | 173.1 | -85.1 | -15.6 | 0 | 0 | 0 | 110 | Y389 V393 | Y389-N391 PolarHBondContact O-N 3.27Å; N391-V393 HydrophobicContact CB-CG2 4.33Å; N391-V393 PolarHBondContact O-N 2.88Å; N391-V393 VanDerWaalsContact O-N 3.08Å | ||
| 392 | N | 34 | Very low | 35.3 | Very low | 135 Ų | 135 | 153.1 Ų | 153.1 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | -79.5 | 60.5 | 155 | -73 | -16.5 | 0 | 0 | 0 | 108.2 | H390 F394 | H390-N392 PolarHBondContact O-N 3.44Å; N392-F394 VanDerWaalsContact C-N 3.35Å; N392-F394 PolarHBondContact O-N 3.36Å | ||
| 393 | V | 37 | Very low | 34.9 | Very low | 105 Ų | 105 | 156.5 Ų | 156.5 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | -84.7 | 89.9 | 169.3 | -177.3 | 0 | 0 | 0 | 0 | 106.2 | N391 D395 | N391-V393 HydrophobicContact CB-CG2 4.33Å; N391-V393 PolarHBondContact O-N 2.88Å; N391-V393 VanDerWaalsContact O-N 3.08Å; V393-D395 HydrophobicContact CG1-CB 4.44Å; V393-D395 PolarHBondContact O-N 3.17Å | ||
| 394 | F | 29.7 | Very low | 34.5 | Very low | 182 Ų | 182 | 154.9 Ų | 154.9 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | trans | -61.5 | 82.5 | 159.8 | -82.5 | -89.2 | 0 | 0 | 0 | 108.3 | N392 S396 | N392-F394 VanDerWaalsContact C-N 3.35Å; N392-F394 PolarHBondContact O-N 3.36Å; F394-S396 PolarHBondContact O-N 3.08Å; F394-S396 PolarHBondContact O-OG 3.23Å | ||
| 395 | D | 34.4 | Very low | 34.5 | Very low | 105 Ų | 105 | 153.4 Ų | 153.4 | 56% | 0.561 | 76% | 0.757 | S | S | * | * | trans | -71.4 | 95.3 | 171.6 | -159.1 | -7.6 | 0 | 0 | 0 | 108.4 | V393 R397 | V393-D395 HydrophobicContact CG1-CB 4.44Å; V393-D395 PolarHBondContact O-N 3.17Å; D395-R397 PolarHBondContact O-N 3.21Å | ||
| 396 | S | 37.2 | Very low | 34.1 | Very low | 111 Ų | 111 | 152.6 Ų | 152.6 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 37.9 | -175.8 | -62.1 | 0 | 0 | 0 | 0 | 113.2 | F394 | F394-S396 PolarHBondContact O-N 3.08Å; F394-S396 PolarHBondContact O-OG 3.23Å |
| 397 | R | 32 | Very low | 34 | Very low | 214 Ų | 214 | 151.5 Ų | 151.5 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.3 | 30 | 176.8 | -76.9 | -161.2 | -88.8 | -171.3 | -7.3 | 115.3 | D395 H399 | D395-R397 PolarHBondContact O-N 3.21Å; R397-H399 PolarHBondContact O-N 2.86Å |
| 398 | H | 36.2 | Very low | 33.5 | Very low | 176 Ų | 176 | 151.7 Ų | 151.7 | 82% | 0.815 | 76% | 0.758 | S | S | * | * | trans | -75.7 | 91.3 | 162.9 | -75 | -45.2 | 0 | 0 | 0 | 111.6 | E400 | H398-E400 PolarHBondContact O-N 2.88Š| ||
| 399 | H | 31.9 | Very low | 33.5 | Very low | 179 Ų | 179 | 154.2 Ų | 154.2 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | trans | -56.7 | 98.6 | 154.7 | -84.7 | -72.4 | 0 | 0 | 0 | 110 | R397 R401 | R397-H399 PolarHBondContact O-N 2.86Å; H399-R401 PolarHBondContact O-N 2.87Å | ||
| 400 | E | 29.9 | Very low | 33 | Very low | 172 Ų | 172 | 153.1 Ų | 153.1 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | 19.7 | 84.7 | 134.5 | -159.9 | -179.6 | -172.1 | 0 | 0 | 115.9 | H398 | H398-E400 PolarHBondContact O-N 2.88Š| ||
| 401 | R | 33.5 | Very low | 33 | Very low | 248 Ų | 248 | 153.8 Ų | 153.8 | 94% | 0.936 | 77% | 0.765 | S | S | * | * | trans | -134.8 | 69.6 | 142.7 | -71.6 | -165.2 | -178.8 | 123.3 | 2 | 108.5 | H399 R403 | H399-R401 PolarHBondContact O-N 2.87Å; R401-R403 PolarHBondContact O-N 3.14Å | ||
| 402 | V | 32.8 | Very low | 32.8 | Very low | 108 Ų | 108 | 153.1 Ų | 153.1 | 66% | 0.655 | 77% | 0.768 | S | S | * | * | trans | -67.1 | 107.8 | 169.2 | 172.5 | 0 | 0 | 0 | 0 | 107.8 | L404 | V402-L404 HydrophobicContact CG1-CD1 4.15Å; V402-L404 HydrophobicContact CG1-CD2 3.99Å; V402-L404 HydrophobicContact CG1-CG 3.62Å | ||
| 403 | R | 33.9 | Very low | 32.8 | Very low | 238 Ų | 238 | 155.4 Ų | 155.4 | 90% | 0.898 | 77% | 0.774 | S | S | * | * | trans | -108.3 | 106.8 | 156.2 | -104.4 | -173.1 | 154.8 | 94.9 | 0.7 | 106.8 | R401 D405 | R401-R403 PolarHBondContact O-N 3.14Å; R403-D405 PolarHBondContact O-N 2.79Å | ||
| 404 | L | 31.4 | Very low | 32.6 | Very low | 136 Ų | 136 | 157.3 Ų | 157.3 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | trans | -78.1 | 105.3 | 175.9 | -66.6 | 158.6 | 0 | 0 | 0 | 108.1 | V402 | V402-L404 HydrophobicContact CG1-CD1 4.15Å; V402-L404 HydrophobicContact CG1-CD2 3.99Å; V402-L404 HydrophobicContact CG1-CG 3.62Å | ||
| 405 | D | 38.2 | Very low | 32.9 | Very low | 160 Ų | 160 | 157.1 Ų | 157.1 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | trans | -124.2 | 94.9 | 150.9 | -73.5 | -39.5 | 0 | 0 | 0 | 106.4 | R403 | R403-D405 PolarHBondContact O-N 2.79Š| ||
| 406 | S | 27.1 | Very low | 33 | Very low | 100 Ų | 100 | 158.9 Ų | 158.9 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | -69.6 | 122.7 | -171.3 | -45 | 0 | 0 | 0 | 0 | 112 | ||||
| 407 | T | 33.4 | Very low | 32.8 | Very low | 141 Ų | 141 | 164.8 Ų | 164.8 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | trans | -117.3 | 103.3 | 144.6 | 47.2 | 0 | 0 | 0 | 0 | 107.1 | L409 | T407-L409 PolarHBondContact O-N 3.09Š| ||
| 408 | S | 27.4 | Very low | 33.1 | Very low | 93 Ų | 93 | 158.6 Ų | 158.6 | 65% | 0.65 | 80% | 0.798 | S | S | * | * | trans | -70.3 | 110 | -178.9 | -175 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 409 | L | 34 | Very low | 32.9 | Very low | 154 Ų | 154 | 156.6 Ų | 156.6 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | trans | -98 | 98.2 | 157.7 | -86.6 | 162.2 | 0 | 0 | 0 | 106.6 | T407 F411 | T407-L409 PolarHBondContact O-N 3.09Å; L409-F411 PolarHBondContact O-N 2.85Å; L409-F411 VanDerWaalsContact O-N 3.15Å | ||
| 410 | H | 27.5 | Very low | 32.9 | Very low | 167 Ų | 167 | 154 Ų | 154 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -59.6 | 108.6 | 168.9 | -97.4 | -72.2 | 0 | 0 | 0 | 109 | ||||
| 411 | F | 35.5 | Very low | 33 | Very low | 174 Ų | 174 | 151.2 Ų | 151.2 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | trans | -88.4 | 127.2 | 152.5 | -74.2 | -82.6 | 0 | 0 | 0 | 107.1 | L409 E413 | L409-F411 PolarHBondContact O-N 2.85Å; L409-F411 VanDerWaalsContact O-N 3.15Å; F411-E413 PolarHBondContact O-N 3.43Å; F411-E413 VanDerWaalsContact O-N 3.17Å | ||
| 412 | P | 32.3 | Very low | 33 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | -64.8 | 116.8 | 179.3 | 23.7 | -30 | 0 | 0 | 0 | 110.2 | D414 | P412-D414 PolarHBondContact O-N 3.03Å; P412-D414 VanDerWaalsContact O-N 3.14Å | ||
| 413 | E | 34.5 | Very low | 32.9 | Very low | 183 Ų | 183 | 145 Ų | 145 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | trans | -66.2 | 93.6 | 163.1 | -72.6 | 163.4 | 141.5 | 0 | 0 | 108.1 | F411 | F411-E413 PolarHBondContact O-N 3.43Å; F411-E413 VanDerWaalsContact O-N 3.17Å | ||
| 414 | D | 31.8 | Very low | 33 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | -159.1 | 48.7 | 167 | -92.9 | -29.7 | 0 | 0 | 0 | 111.4 | P412 | P412-D414 PolarHBondContact O-N 3.03Å; P412-D414 VanDerWaalsContact O-N 3.14Å | ||
| 415 | L | 37 | Very low | 33.2 | Very low | 178 Ų | 178 | 141.2 Ų | 141.2 | 93% | 0.932 | 78% | 0.779 | S | S | * | * | trans | -128.7 | 58.5 | 162.2 | -85.6 | 157.8 | 0 | 0 | 0 | 108.8 | Y417 | L415-Y417 PolarHBondContact O-N 3.4Š| ||
| 416 | D | 36.4 | Very low | 32.8 | Very low | 143 Ų | 143 | 139.3 Ų | 139.3 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | trans | -64.4 | 118.7 | 162.7 | -88.6 | -30.4 | 0 | 0 | 0 | 109.5 | A418 | D416-A418 PolarHBondContact O-N 3.09Š| ||
| 417 | Y | 33.2 | Very low | 33.1 | Very low | 234 Ų | 234 | 144.1 Ų | 144.1 | 92% | 0.918 | 78% | 0.784 | S | S | * | * | trans | 38.3 | 79.5 | 146.3 | -87.2 | -94.5 | 0 | 0 | 0 | 116.8 | L415 | L415-Y417 PolarHBondContact O-N 3.4Š| ||
| 418 | A | 36.8 | Very low | 33.1 | Very low | 84 Ų | 84 | 141.8 Ų | 141.8 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | trans | -111.9 | 109 | 150.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | D416 C420 | D416-A418 PolarHBondContact O-N 3.09Å; A418-C420 VanDerWaalsContact C-N 3.35Å; A418-C420 PolarHBondContact O-N 3.2Å | ||
| 419 | D | 33.4 | Very low | 33.4 | Very low | 135 Ų | 135 | 143.1 Ų | 143.1 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | -55.7 | 88.8 | 169.1 | -171.2 | 2.8 | 0 | 0 | 0 | 110.2 | T421 | D419-T421 PolarHBondContact O-N 3.35Å; D419-T421 WeakPolarHBondContact OD1-CG2 3.2Å; D419-T421 PolarHBondContact OD1-OG1 2.86Å | ||
| 420 | C | 31.9 | Very low | 33.5 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -89.1 | 57.2 | 173.9 | -68.1 | 0 | 0 | 0 | 0 | 110.2 | A418 A422 | A418-C420 VanDerWaalsContact C-N 3.35Å; A418-C420 PolarHBondContact O-N 3.2Å; C420-A422 PolarHBondContact O-N 2.72Å | ||
| 421 | T | 30.1 | Very low | 33.7 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | -92.5 | 65.6 | 164.6 | 47.4 | 0 | 0 | 0 | 0 | 110.3 | D419 | D419-T421 PolarHBondContact O-N 3.35Å; D419-T421 WeakPolarHBondContact OD1-CG2 3.2Å; D419-T421 PolarHBondContact OD1-OG1 2.86Å | ||
| 422 | A | 34.2 | Very low | 34 | Very low | 83 Ų | 83 | 141 Ų | 141 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -169.3 | 113.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111 | C420 | C420-A422 PolarHBondContact O-N 2.72Š|
| 423 | N | 31.4 | Very low | 34.2 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | 25.7 | 128.1 | 140.7 | -63.1 | -2 | 0 | 0 | 0 | 119.6 | ||||
| 424 | D | 35.9 | Very low | 34.5 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | 69.8 | 54.5 | 144.7 | -53.7 | -30.8 | 0 | 0 | 0 | 118.4 | ||||
| 425 | I | 35.7 | Very low | 35 | Very low | 143 Ų | 143 | 140.9 Ų | 140.9 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | -113.9 | 116.1 | 152.6 | -54.5 | 177 | 0 | 0 | 0 | 108 | F427 | I425-F427 PolarHBondContact O-N 2.74Š| ||
| 426 | P | 30.1 | Very low | 35.6 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -65.7 | 111.4 | -179 | 26.7 | -32 | 0 | 0 | 0 | 108.7 | S428 | P426-S428 PolarHBondContact O-N 2.87Š| ||
| 427 | F | 32.8 | Very low | 35.8 | Very low | 201 Ų | 201 | 136.2 Ų | 136.2 | 88% | 0.882 | 76% | 0.757 | S | S | * | * | trans | -65.9 | 85.7 | 165.6 | -74.2 | -86.1 | 0 | 0 | 0 | 108 | I425 | I425-F427 PolarHBondContact O-N 2.74Š| ||
| 428 | S | 32.6 | Very low | 36.3 | Very low | 92 Ų | 92 | 131.1 Ų | 131.1 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | trans | -59.9 | 129.2 | 156.5 | -161.2 | 0 | 0 | 0 | 0 | 106.3 | P426 F430 | P426-S428 PolarHBondContact O-N 2.87Å; S428-F430 PolarHBondContact O-N 3.23Å | ||
| 429 | P | 34.9 | Very low | 36.7 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | trans | -61.7 | 109.8 | -173.8 | 23.6 | -31.3 | 0 | 0 | 0 | 108.2 | G431 | P429-G431 PolarHBondContact O-N 2.86Š| ||
| 430 | F | 35.5 | Very low | 37.2 | Very low | 196 Ų | 196 | 129.8 Ų | 129.8 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | trans | -63.3 | 106.8 | 169.9 | -96.2 | -92.1 | 0 | 0 | 0 | 106.8 | S428 E432 | S428-F430 PolarHBondContact O-N 3.23Å; F430-E432 PolarHBondContact O-N 2.89Å | ||
| 431 | G | 32.7 | Very low | 37.9 | Very low | 74 Ų | 74 | 128.7 Ų | 128.7 | 76% | 0.763 | 72% | 0.717 | S | S | * | * | trans | -7.8 | 88 | 172 | 0 | 0 | 0 | 0 | 0 | 116.2 | P429 E433 | P429-G431 PolarHBondContact O-N 2.86Å; G431-E433 PolarHBondContact O-N 2.75Å; G431-E433 VanDerWaalsContact O-N 3.08Å | ||
| 432 | E | 41.7 | Very low | 38.3 | Very low | 180 Ų | 180 | 130 Ų | 130 | 84% | 0.841 | 71% | 0.713 | S | S | * | * | trans | -71.8 | 92.2 | 148.5 | -70.3 | 177.9 | -166.6 | 0 | 0 | 105.5 | F430 L434 | F430-E432 PolarHBondContact O-N 2.89Å; E432-L434 PolarHBondContact O-N 2.86Å | ||
| 433 | E | 36.5 | Very low | 38.6 | Very low | 177 Ų | 177 | 132.7 Ų | 132.7 | 83% | 0.827 | 72% | 0.716 | S | S | * | * | trans | -50.7 | 109.3 | 163.3 | -175.1 | 172.1 | -170.5 | 0 | 0 | 106.6 | G431 V435 | G431-E433 PolarHBondContact O-N 2.75Å; G431-E433 VanDerWaalsContact O-N 3.08Å; E433-V435 VanDerWaalsContact C-N 3.3Å; E433-V435 PolarHBondContact O-N 3.44Å | ||
| 434 | L | 40.6 | Very low | 38.8 | Very low | 162 Ų | 162 | 131.4 Ų | 131.4 | 85% | 0.848 | 72% | 0.718 | S | S | * | * | trans | -56 | 100.9 | 174.8 | -71.2 | 168 | 0 | 0 | 0 | 106.3 | E432 D436 | E432-L434 PolarHBondContact O-N 2.86Å; L434-D436 PolarHBondContact O-N 2.83Å | ||
| 435 | V | 41 | Very low | 38.6 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 63% | 0.63 | 71% | 0.708 | S | S | * | * | trans | -62.7 | 93.5 | 171.6 | 177.4 | 0 | 0 | 0 | 0 | 105.6 | E433 L437 L440 | E433-V435 VanDerWaalsContact C-N 3.3Å; E433-V435 PolarHBondContact O-N 3.44Å; V435-L437 PolarHBondContact O-N 3.44Å; V435-L440 HydrophobicContact CG1-CD1 4.1Å; V435-L440 HydrophobicContact CG1-CG 4.17Å | ||
| 436 | D | 50.8 | Low | 38.5 | Very low | 91 Ų | 91 | 128.1 Ų | 128.1 | 49% | 0.487 | 71% | 0.709 | S | S | . | * | trans | -59.9 | 122.3 | 174 | -176.8 | 9 | 0 | 0 | 0 | 107.3 | L434 H438 S439 | L434-D436 PolarHBondContact O-N 2.83Å; D436-H438 PolarHBondContact O-N 3.45Å; D436-H438 IonicContact OD1-CD2 2.7Å; D436-H438 PolarHBondContact OD1-CD2 3.29Å; D436-H438 IonicContact OD1-CG 3.47Å; D436-H438 PolarHBondContact OD1-N 3.22Å; D436-H438 IonicContact OD2-CD2 3.35Å; D436-S439 WeakPolarHBondContact O-CB 3.44Å; D436-S439 PolarHBondContact O-N 3.08Å | ||
| 437 | L | 40.9 | Very low | 38.9 | Very low | 133 Ų | 133 | 129.9 Ų | 129.9 | 70% | 0.696 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -20.6 | -175.4 | -138.6 | 80 | 0 | 0 | 0 | 111.6 | V435 S439 L440 | V435-L437 PolarHBondContact O-N 3.44Å; L437-S439 VanDerWaalsContact C-N 3.34Å; L437-L440 PolarHBondContact O-N 2.76Å |
| 438 | H | 42.6 | Very low | 39.1 | Very low | 127 Ų | 127 | 126.8 Ų | 126.8 | 59% | 0.588 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -30.8 | 173 | -71.4 | -70.2 | 0 | 0 | 0 | 113.4 | D436 L440 V441 F442 | D436-H438 PolarHBondContact O-N 3.45Å; D436-H438 IonicContact OD1-CD2 2.7Å; D436-H438 PolarHBondContact OD1-CD2 3.29Å; D436-H438 IonicContact OD1-CG 3.47Å; D436-H438 PolarHBondContact OD1-N 3.22Å; D436-H438 IonicContact OD2-CD2 3.35Å; H438-L440 PolarHBondContact O-N 3.14Å; H438-V441 PolarHBondContact O-N 3.13Å; H438-F442 VanDerWaalsContact O-CD2 3.24Å; H438-F442 WeakPolarHBondContact O-CD2 3.44Å |
| 439 | S | 44.7 | Very low | 39.2 | Very low | 71 Ų | 71 | 128.3 Ų | 128.3 | 50% | 0.497 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -68.4 | -34.7 | 177.6 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | D436 L437 V441 F442 | D436-S439 WeakPolarHBondContact O-CB 3.44Å; D436-S439 PolarHBondContact O-N 3.08Å; L437-S439 VanDerWaalsContact C-N 3.34Å; S439-V441 VanDerWaalsContact C-N 3.25Å; S439-V441 PolarHBondContact O-N 2.98Å; S439-F442 PolarHBondContact O-N 3.03Å |
| 440 | L | 44.1 | Very low | 39.3 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 62% | 0.623 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -71.1 | -17.5 | 179.2 | -70.5 | 172.5 | 0 | 0 | 0 | 113.8 | V435 L437 H438 | V435-L440 HydrophobicContact CG1-CD1 4.1Å; V435-L440 HydrophobicContact CG1-CG 4.17Å; L437-L440 PolarHBondContact O-N 2.76Å; H438-L440 PolarHBondContact O-N 3.14Å |
| 441 | V | 46.4 | Very low | 39.3 | Very low | 102 Ų | 102 | 126.3 Ų | 126.3 | 62% | 0.618 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -89.1 | -17.9 | 179.3 | -178.6 | 0 | 0 | 0 | 0 | 112 | H438 S439 | H438-V441 PolarHBondContact O-N 3.13Å; S439-V441 VanDerWaalsContact C-N 3.25Å; S439-V441 PolarHBondContact O-N 2.98Å |
| 442 | F | 40.1 | Very low | 39.7 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 61% | 0.614 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -102.3 | -7.9 | -176.5 | -72.6 | -69.5 | 0 | 0 | 0 | 115.8 | H438 S439 S444 I445 | H438-F442 VanDerWaalsContact O-CD2 3.24Å; H438-F442 WeakPolarHBondContact O-CD2 3.44Å; S439-F442 PolarHBondContact O-N 3.03Å; F442-S444 PolarHBondContact O-N 3.01Å; F442-I445 PolarHBondContact O-N 3.14Å |
| 443 | D | 39.3 | Very low | 39.6 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 75% | 0.754 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 21.1 | 178 | -83 | -12 | 0 | 0 | 0 | 115 | ||
| 444 | S | 36.2 | Very low | 39.8 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.2 | 15.1 | 171 | -69.5 | 0 | 0 | 0 | 0 | 114.9 | F442 | F442-S444 PolarHBondContact O-N 3.01Š|
| 445 | I | 32.5 | Very low | 40.1 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 60% | 0.595 | 70% | 0.7 | S | S | * | * | trans | -132.4 | 68 | 173.6 | -44.1 | 176.2 | 0 | 0 | 0 | 109.9 | F442 | F442-I445 PolarHBondContact O-N 3.14Š| ||
| 446 | S | 33.7 | Very low | 40.2 | Very low | 110 Ų | 110 | 124.3 Ų | 124.3 | 77% | 0.769 | 70% | 0.702 | S | S | * | * | trans | -68.5 | 130.7 | 158.6 | -56.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 447 | D | 37 | Very low | 39.7 | Very low | 156 Ų | 156 | 127.5 Ų | 127.5 | 83% | 0.834 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 80.3 | 46.4 | 163.7 | -62 | -24.8 | 0 | 0 | 0 | 120.5 | ||
| 448 | I | 37.3 | Very low | 40.2 | Very low | 137 Ų | 137 | 125.2 Ų | 125.2 | 70% | 0.703 | 70% | 0.7 | S | S | * | * | trans | -137.3 | 120.8 | 151.4 | -54.1 | 176.9 | 0 | 0 | 0 | 110.1 | S450 | I448-S450 PolarHBondContact O-N 2.96Š| ||
| 449 | P | 35.9 | Very low | 40.4 | Very low | 123 Ų | 123 | 125.2 Ų | 125.2 | 80% | 0.799 | 71% | 0.712 | S | S | * | * | trans | -63.5 | 127.4 | -176.9 | 24.4 | -32.2 | 0 | 0 | 0 | 111.6 | N451 | P449-N451 PolarHBondContact O-N 2.99Å; P449-N451 VanDerWaalsContact O-N 3.11Å | ||
| 450 | S | 36.5 | Very low | 40.7 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | trans | -62.2 | 100.5 | 176.2 | 43.5 | 0 | 0 | 0 | 0 | 111.8 | I448 | I448-S450 PolarHBondContact O-N 2.96Š| ||
| 451 | N | 34.2 | Very low | 40.8 | Very low | 163 Ų | 163 | 128 Ų | 128 | 87% | 0.872 | 72% | 0.72 | S | S | * | * | trans | -135.7 | 71.4 | 152.3 | -95.5 | -39.7 | 0 | 0 | 0 | 106.5 | P449 | P449-N451 PolarHBondContact O-N 2.99Å; P449-N451 VanDerWaalsContact O-N 3.11Å | ||
| 452 | V | 43 | Very low | 41 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 74% | 0.739 | 72% | 0.715 | S | S | * | * | trans | -104.6 | 93 | 166.6 | -175.4 | 0 | 0 | 0 | 0 | 105.4 | E454 | V452-E454 PolarHBondContact O-N 2.77Š| ||
| 453 | D | 38 | Very low | 41.6 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | trans | -49 | 129.7 | 165.2 | -103.9 | -37.8 | 0 | 0 | 0 | 108.6 | T455 | D453-T455 PolarHBondContact O-N 3.06Š| ||
| 454 | E | 41.9 | Very low | 42.5 | Very low | 189 Ų | 189 | 123.2 Ų | 123.2 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 24.1 | 176.7 | -63.7 | -147.2 | 148.1 | 0 | 0 | 114 | V452 | V452-E454 PolarHBondContact O-N 2.77Š|
| 455 | T | 45.4 | Very low | 43.5 | Very low | 115 Ų | 115 | 122.8 Ų | 122.8 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 5 | 175.2 | 58.8 | 0 | 0 | 0 | 0 | 113.2 | D453 F457 | D453-T455 PolarHBondContact O-N 3.06Å; T455-F457 PolarHBondContact O-N 2.97Å |
| 456 | S | 44.3 | Very low | 44.5 | Very low | 98 Ų | 98 | 123 Ų | 123 | 69% | 0.685 | 69% | 0.692 | S | S | * | * | trans | -78.5 | 50.6 | 170.7 | 65.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 457 | F | 40.4 | Very low | 45.7 | Very low | 157 Ų | 157 | 124.2 Ų | 124.2 | 69% | 0.689 | 69% | 0.687 | S | S | * | * | trans | -87.5 | 123.4 | 156.9 | -110.8 | -92.6 | 0 | 0 | 0 | 107.6 | T455 P459 | T455-F457 PolarHBondContact O-N 2.97Å; F457-P459 WeakPolarHBondContact O-CD 3.27Å | ||
| 458 | D | 50.1 | Low | 46.5 | Very low | 85 Ų | 85 | 123.9 Ų | 123.9 | 46% | 0.455 | 68% | 0.681 | S | S | . | * | trans | -60.6 | 118.4 | 178.6 | -175.5 | -7.1 | 0 | 0 | 0 | 110 | A460 Y461 | D458-A460 PolarHBondContact O-N 2.9Å; D458-A460 WeakPolarHBondContact OD1-CB 3.35Å; D458-A460 PolarHBondContact OD1-N 3.42Å; D458-Y461 HydrophobicContact CB-CD2 4.37Å; D458-Y461 PolarHBondContact O-N 2.74Å | ||
| 459 | P | 48 | Very low | 47.3 | Very low | 127 Ų | 127 | 124.8 Ų | 124.8 | 83% | 0.825 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -9.6 | 178.8 | -20.3 | 31.2 | 0 | 0 | 0 | 114.3 | F457 Y461 | F457-P459 WeakPolarHBondContact O-CD 3.27Å; P459-Y461 VanDerWaalsContact C-N 3.26Å |
| 460 | A | 49.9 | Very low | 48.1 | Very low | 72 Ų | 72 | 127.6 Ų | 127.6 | 60% | 0.595 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -11.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D458 | D458-A460 PolarHBondContact O-N 2.9Å; D458-A460 WeakPolarHBondContact OD1-CB 3.35Å; D458-A460 PolarHBondContact OD1-N 3.42Å |
| 461 | Y | 46.2 | Very low | 48.7 | Very low | 177 Ų | 177 | 129.3 Ų | 129.3 | 69% | 0.694 | 70% | 0.702 | S | S | * | * | trans | -116.2 | 76.9 | 174.7 | -70.1 | -83.3 | 0 | 0 | 0 | 109.4 | D458 P459 I463 | D458-Y461 HydrophobicContact CB-CD2 4.37Å; D458-Y461 PolarHBondContact O-N 2.74Å; P459-Y461 VanDerWaalsContact C-N 3.26Å; Y461-I463 PolarHBondContact O-N 2.62Å | ||
| 462 | D | 50.7 | Low | 49.4 | Very low | 96 Ų | 96 | 127.6 Ų | 127.6 | 51% | 0.513 | 69% | 0.694 | S | S | . | * | trans | -66.4 | 120 | 161 | -164.7 | -26.1 | 0 | 0 | 0 | 107 | S464 D465 | D462-S464 PolarHBondContact O-N 3.2Å; D462-S464 VanDerWaalsContact OD1-CB 3.25Å; D462-S464 WeakPolarHBondContact OD1-CB 3.22Å; D462-S464 PolarHBondContact OD1-N 2.97Å; D462-S464 VanDerWaalsContact OD1-N 3.12Å; D462-S464 PolarHBondContact OD1-OG 3.39Å; D462-D465 PolarHBondContact O-N 3.29Å | ||
| 463 | I | 53.3 | Low | 49.7 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 59% | 0.59 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -53.3 | -25 | 178.6 | -64.8 | 164.9 | 0 | 0 | 0 | 110.6 | Y461 D465 L466 M467 | Y461-I463 PolarHBondContact O-N 2.62Å; I463-D465 VanDerWaalsContact C-N 3.32Å; I463-D465 PolarHBondContact O-N 3.35Å; I463-L466 PolarHBondContact O-N 3.09Å; I463-M467 WeakPolarHBondContact O-CG 3.39Å; I463-M467 PolarHBondContact O-N 3.38Å |
| 464 | S | 59.2 | Low | 50.4 | Low | 72 Ų | 72 | 127.7 Ų | 127.7 | 50% | 0.503 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -58.4 | -36.4 | 173.7 | -49.6 | 0 | 0 | 0 | 0 | 113.6 | D462 M467 Q468 | D462-S464 PolarHBondContact O-N 3.2Å; D462-S464 VanDerWaalsContact OD1-CB 3.25Å; D462-S464 WeakPolarHBondContact OD1-CB 3.22Å; D462-S464 PolarHBondContact OD1-N 2.97Å; D462-S464 VanDerWaalsContact OD1-N 3.12Å; D462-S464 PolarHBondContact OD1-OG 3.39Å; S464-M467 PolarHBondContact O-N 3.22Å; S464-Q468 PolarHBondContact O-N 2.84Å |
| 465 | D | 56.6 | Low | 50.9 | Low | 105 Ų | 105 | 124.1 Ų | 124.1 | 56% | 0.561 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -72.3 | -30.6 | 178.6 | -83.6 | -11.2 | 0 | 0 | 0 | 111.9 | D462 I463 | D462-D465 PolarHBondContact O-N 3.29Å; I463-D465 VanDerWaalsContact C-N 3.32Å; I463-D465 PolarHBondContact O-N 3.35Å |
| 466 | L | 53.3 | Low | 51.2 | Low | 121 Ų | 121 | 124.6 Ų | 124.6 | 63% | 0.634 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -74.2 | -32.8 | 176.7 | -162.2 | 71.8 | 0 | 0 | 0 | 111.8 | I463 H469 | I463-L466 PolarHBondContact O-N 3.09Å; L466-H469 PolarHBondContact O-N 3.46Å |
| 467 | M | 59.6 | Low | 51.7 | Low | 136 Ų | 136 | 126.4 Ų | 126.4 | 67% | 0.67 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -71.7 | -26.6 | 178.5 | -72.7 | -105.2 | -61.4 | 0 | 0 | 113.2 | I463 S464 H469 F470 A471 | I463-M467 WeakPolarHBondContact O-CG 3.39Å; I463-M467 PolarHBondContact O-N 3.38Å; S464-M467 PolarHBondContact O-N 3.22Å; M467-H469 PolarHBondContact O-N 3.18Å; M467-F470 PolarHBondContact O-N 3.1Å; M467-F470 VanDerWaalsContact O-N 3.15Å; M467-A471 PolarHBondContact O-N 2.81Å |
| 468 | Q | 53.4 | Low | 52.5 | Low | 149 Ų | 149 | 124.2 Ų | 124.2 | 70% | 0.696 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -17.8 | 177 | -96 | -173.6 | 5.5 | 0 | 0 | 113.9 | S464 F470 | S464-Q468 PolarHBondContact O-N 2.84Å; Q468-F470 VanDerWaalsContact C-N 3.3Å |
| 469 | H | 54.1 | Low | 52.7 | Low | 155 Ų | 155 | 127.2 Ų | 127.2 | 72% | 0.718 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -9.3 | 175.4 | -71 | -51.7 | 0 | 0 | 0 | 114 | L466 M467 | L466-H469 PolarHBondContact O-N 3.46Å; M467-H469 PolarHBondContact O-N 3.18Å |
| 470 | F | 53 | Low | 53.1 | Low | 183 Ų | 183 | 127.3 Ų | 127.3 | 80% | 0.803 | 68% | 0.682 | S | S | * | * | trans | -120.1 | 1.4 | -176.6 | -64.8 | -74.7 | 0 | 0 | 0 | 114.7 | M467 Q468 | M467-F470 PolarHBondContact O-N 3.1Å; M467-F470 VanDerWaalsContact O-N 3.15Å; Q468-F470 VanDerWaalsContact C-N 3.3Å | ||
| 471 | A | 47.9 | Very low | 53.4 | Low | 146 Ų | 146 | 132.3 Ų | 132.3 | 100% | 1.207 | 69% | 0.69 | S | S | * | * | trans | -101.5 | 0 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | M467 | M467-A471 PolarHBondContact O-N 2.81Š|
Retrieved 471 of 471 residues in 102.8 ms
(Link to these results)