| 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 | 56.8 | Low | 47.7 | Very low | 57 Ų | 57 | 104.2 Ų | 104.2 | 28% | 0.281 | 62% | 0.62 | S | S | . | * | 0 | 151.3 | 0 | -86.1 | 140.4 | 160.3 | 0 | 0 | 109.1 | A89 L99 L112 C114 | M1-A89 HydrophobicContact CE-CB 3.32Å; M1-A89 HydrophobicContact CG-CB 3.89Å; M1-L99 HydrophobicContact CE-CD1 3.44Å; M1-L99 VanDerWaalsContact CE-CD1 3.44Å; M1-L99 HydrophobicContact CE-CD2 3.22Å; M1-L99 HydrophobicContact CE-CG 3.85Å; M1-L99 HydrophobicContact SD-CD2 3.84Å; M1-L112 PolarHBondContact N-O 3.01Å; M1-C114 HydrophobicContact CE-CB 3.46Å; M1-C114 VanDerWaalsContact CE-CB 3.46Å; M1-C114 WeakPolarHBondContact CE-SG 3.48Å; M1-C114 HydrophobicContact SD-CB 3.84Å | |||
| 2 | E | 61.2 | Low | 46.8 | Very low | 135 Ų | 135 | 105.2 Ų | 105.2 | 63% | 0.631 | 64% | 0.636 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.6 | 137.5 | 171 | -62 | -169.7 | 134.4 | 0 | 0 | 109.4 | V4 L88 | E2-V4 HydrophobicContact CB-CG2 4.48Å; E2-L88 PolarHBondContact N-O 2.92Å; E2-L88 PolarHBondContact O-N 3.33Å |
| 3 | V | 63.9 | Low | 45.3 | Very low | 83 Ų | 83 | 107.3 Ų | 107.3 | 50% | 0.503 | 66% | 0.656 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.1 | 109.6 | 172 | -176.3 | 0 | 0 | 0 | 0 | 106.8 | L87 L112 | V3-L87 HydrophobicContact CG2-CD2 3.84Å; V3-L112 HydrophobicContact CG2-CD2 4.34Å |
| 4 | V | 69.6 | Low | 44.9 | Very low | 42 Ų | 42 | 109.5 Ų | 109.5 | 26% | 0.255 | 67% | 0.669 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.5 | 127 | -177 | -173.8 | 0 | 0 | 0 | 0 | 108.9 | E2 Y85 Y86 L88 | E2-V4 HydrophobicContact CB-CG2 4.48Å; V4-Y85 WeakPolarHBondContact O-CA 3.28Å; V4-Y86 HydrophobicContact CB-CD2 4.25Å; V4-Y86 HydrophobicContact CB-CE1 4.21Å; V4-Y86 HydrophobicContact CB-CE2 3.7Å; V4-Y86 HydrophobicContact CG1-CE1 4.17Å; V4-Y86 HydrophobicContact CG1-CE2 4.14Å; V4-Y86 WeakPolarHBondContact CG1-OH 3.34Å; V4-Y86 HydrophobicContact CG2-CE2 4.22Å; V4-Y86 PolarHBondContact N-O 3.26Å; V4-Y86 PolarHBondContact O-N 3.22Å; V4-L88 HydrophobicContact CG2-CB 4.09Å |
| 5 | G | 48.5 | Very low | 44 | Very low | 46 Ų | 46 | 113.9 Ų | 113.9 | 47% | 0.474 | 69% | 0.686 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.7 | 124 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | K7 R84 | G5-K7 PolarHBondContact O-N 3.19Å; G5-R84 WeakPolarHBondContact CA-O 3.24Å |
| 6 | C | 41.1 | Very low | 43.2 | Very low | 62 Ų | 62 | 121.5 Ų | 121.5 | 42% | 0.419 | 70% | 0.699 | S | S | . | * | P | Polyproline II helix | trans | -79.5 | 119.7 | 174.2 | -153.8 | 0 | 0 | 0 | 0 | 109.6 | A8 R84 Y86 | C6-A8 PolarHBondContact O-N 3.46Å; C6-R84 PolarHBondContact N-O 3.15Å; C6-Y86 HydrophobicContact CB-CD1 4.26Å; C6-Y86 HydrophobicContact CB-CE1 3.99Å |
| 7 | K | 37.1 | Very low | 42.6 | Very low | 208 Ų | 208 | 129.2 Ų | 129.2 | 90% | 0.904 | 71% | 0.714 | S | S | * | * | trans | -72.6 | 91.5 | 171.5 | -91.2 | -168.9 | 169.9 | -170.8 | 0 | 109.9 | G5 | G5-K7 PolarHBondContact O-N 3.19Š| ||
| 8 | A | 36.1 | Very low | 41.9 | Very low | 90 Ų | 90 | 128.3 Ų | 128.3 | 74% | 0.744 | 72% | 0.718 | S | S | * | * | trans | -70.6 | 140.1 | 152.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | C6 A10 | C6-A8 PolarHBondContact O-N 3.46Å; A8-A10 PolarHBondContact O-N 3.04Å | ||
| 9 | E | 39.8 | Very low | 41.4 | Very low | 205 Ų | 205 | 125.9 Ų | 125.9 | 96% | 0.958 | 73% | 0.725 | S | S | * | * | trans | -75.9 | 105.9 | -178.9 | -64.7 | -161.5 | 104.2 | 0 | 0 | 111.5 | ||||
| 10 | A | 33.6 | Very low | 41.2 | Very low | 96 Ų | 96 | 125.2 Ų | 125.2 | 79% | 0.793 | 74% | 0.735 | S | S | * | * | trans | -149.4 | 136.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110 | A8 | A8-A10 PolarHBondContact O-N 3.04Š| ||
| 11 | S | 36.4 | Very low | 40.7 | Very low | 122 Ų | 122 | 123 Ų | 123 | 85% | 0.853 | 74% | 0.738 | S | S | * | * | trans | -44.6 | 135 | -169.3 | -53.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 12 | S | 37.6 | Very low | 39.7 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | 42.1 | 100.8 | 147.8 | -178.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 13 | C | 27 | Very low | 38.4 | Very low | 133 Ų | 133 | 125.8 Ų | 125.8 | 90% | 0.899 | 77% | 0.769 | S | S | * | * | trans | -153.9 | 143.2 | 131 | -133.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 14 | T | 40.2 | Very low | 37 | Very low | 138 Ų | 138 | 130.1 Ų | 130.1 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | trans | -94.7 | 127.3 | -173.6 | 48.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 15 | L | 31.5 | Very low | 35.3 | Very low | 176 Ų | 176 | 136 Ų | 136 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | trans | -140.3 | 153.5 | 161.9 | -156.6 | 60.1 | 0 | 0 | 0 | 111.1 | ||||
| 16 | R | 30.1 | Very low | 34.6 | Very low | 235 Ų | 235 | 143.3 Ų | 143.3 | 89% | 0.887 | 83% | 0.832 | S | S | * | * | trans | -84.1 | 145.2 | -157.9 | -68.2 | 178.6 | 168.6 | -141.4 | -1.9 | 114.1 | ||||
| 17 | R | 33.2 | Very low | 34.1 | Very low | 253 Ų | 253 | 143.7 Ų | 143.7 | 96% | 0.955 | 85% | 0.847 | S | S | * | * | trans | -80.3 | 132.4 | 167.8 | -178.2 | -174.3 | -175.6 | -164 | 3.7 | 110 | ||||
| 18 | S | 31 | Very low | 33.9 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 79% | 0.79 | 85% | 0.845 | S | S | * | * | trans | -139.8 | 136.9 | 175.8 | -70.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 19 | G | 31 | Very low | 34.1 | Very low | 82 Ų | 82 | 143.2 Ų | 143.2 | 85% | 0.845 | 85% | 0.85 | S | S | * | * | trans | 72.3 | 113.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 20 | A | 38.3 | Very low | 34.3 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 93% | 0.926 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 127.7 | 157.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 21 | G | 30.6 | Very low | 34.6 | Very low | 78 Ų | 78 | 139.9 Ų | 139.9 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 133.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 22 | A | 35 | Very low | 35 | Very low | 98 Ų | 98 | 141.4 Ų | 141.4 | 81% | 0.81 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 142.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 23 | M | 34.1 | Very low | 35.5 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 75% | 0.754 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 141.1 | 172.1 | -69.8 | -72.8 | -154.2 | 0 | 0 | 111.3 | F25 | M23-F25 HydrophobicContact CB-CD1 4.06Å; M23-F25 HydrophobicContact CB-CE1 3.39Å; M23-F25 HydrophobicContact CB-CZ 3.7Å; M23-F25 HydrophobicContact CG-CE1 4.09Å |
| 24 | L | 35.8 | Very low | 36.3 | Very low | 174 Ų | 174 | 143.5 Ų | 143.5 | 91% | 0.911 | 82% | 0.818 | S | S | * | * | trans | -118.8 | 121.5 | 168.3 | -73.9 | 173.4 | 0 | 0 | 0 | 109.4 | ||||
| 25 | F | 34 | Very low | 36.4 | Very low | 165 Ų | 165 | 139.8 Ų | 139.8 | 72% | 0.724 | 81% | 0.808 | S | S | * | * | trans | -123.4 | 124.7 | -179.8 | -0.8 | -108.6 | 0 | 0 | 0 | 111.5 | M23 | M23-F25 HydrophobicContact CB-CD1 4.06Å; M23-F25 HydrophobicContact CB-CE1 3.39Å; M23-F25 HydrophobicContact CB-CZ 3.7Å; M23-F25 HydrophobicContact CG-CE1 4.09Å | ||
| 26 | H | 33.2 | Very low | 37.2 | Very low | 200 Ų | 200 | 136.5 Ų | 136.5 | 93% | 0.926 | 79% | 0.79 | S | S | * | * | trans | -144.8 | 128.6 | 159 | -72.7 | -67.5 | 0 | 0 | 0 | 107.1 | ||||
| 27 | G | 30.1 | Very low | 37.9 | Very low | 70 Ų | 70 | 132.3 Ų | 132.3 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | cis | 150.4 | 160.5 | -3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 28 | I | 34.3 | Very low | 38.6 | Very low | 169 Ų | 169 | 127.8 Ų | 127.8 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | -152 | 149.1 | 167.9 | 25.3 | 172.3 | 0 | 0 | 0 | 112.1 | ||||
| 29 | S | 39.1 | Very low | 39.4 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 84% | 0.839 | 75% | 0.752 | S | S | * | * | trans | 46.5 | 103.2 | 156.7 | -54.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 30 | G | 44.4 | Very low | 40.4 | Very low | 59 Ų | 59 | 129 Ų | 129 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | trans | -98.9 | 124.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 31 | D | 40.5 | Very low | 40.9 | Very low | 171 Ų | 171 | 130.3 Ų | 130.3 | 91% | 0.914 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -151.7 | 30.7 | 136.9 | -137.5 | -18.8 | 0 | 0 | 0 | 112 | ||
| 32 | H | 44.9 | Very low | 41.7 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | trans | -143.9 | 52.1 | -174.1 | -166.9 | 78 | 0 | 0 | 0 | 111.7 | ||||
| 33 | I | 47.9 | Very low | 42.4 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 64% | 0.641 | 72% | 0.715 | S | S | * | * | trans | -116.3 | -23.1 | -170.5 | -64.6 | 173.8 | 0 | 0 | 0 | 112.8 | G35 | I33-G35 PolarHBondContact O-N 3.44Š| ||
| 34 | Q | 42.3 | Very low | 42.9 | Very low | 168 Ų | 168 | 134.5 Ų | 134.5 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -37.6 | -173 | -156.3 | 65.9 | 41 | 0 | 0 | 113.9 | ||
| 35 | G | 42.3 | Very low | 43.2 | Very low | 60 Ų | 60 | 134 Ų | 134 | 62% | 0.619 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -17 | -172 | 0 | 0 | 0 | 0 | 0 | 116.3 | I33 | I33-G35 PolarHBondContact O-N 3.44Š|
| 36 | I | 50.3 | Low | 43.7 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 55% | 0.554 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -85.9 | -21.7 | -173.5 | -62.3 | 177 | 0 | 0 | 0 | 111.7 | ||
| 37 | M | 44.8 | Very low | 44.1 | Very low | 147 Ų | 147 | 128.7 Ų | 128.7 | 72% | 0.724 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -76.3 | -36.8 | -174.3 | -155 | 168.2 | 71.7 | 0 | 0 | 113.3 | M40 E41 | M37-M40 PolarHBondContact O-N 3.21Å; M37-E41 PolarHBondContact O-N 3.07Å |
| 38 | E | 46.6 | Very low | 44.5 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 73% | 0.734 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -68.7 | -33.8 | 176.9 | -74.5 | -173.6 | 105.8 | 0 | 0 | 113 | M40 E41 R42 | E38-M40 VanDerWaalsContact C-N 3.29Å; E38-M40 PolarHBondContact O-N 3.34Å; E38-E41 PolarHBondContact O-N 3.22Å; E38-R42 WeakPolarHBondContact O-CB 3.46Å; E38-R42 PolarHBondContact O-N 2.87Å |
| 39 | E | 49 | Very low | 45 | Very low | 78 Ų | 78 | 132.9 Ų | 132.9 | 36% | 0.364 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -66.9 | -29.3 | 179.8 | -178.7 | 56.2 | -158.3 | 0 | 0 | 112.5 | R42 R43 | E39-R42 IonicContact OE2-NE 2.68Å; E39-R43 WeakPolarHBondContact O-CD 3.22Å; E39-R43 WeakPolarHBondContact O-CG 3.28Å; E39-R43 PolarHBondContact O-N 2.59Å; E39-R43 WeakPolarHBondContact OE1-CD 3.44Å; E39-R43 IonicContact OE1-CZ 3.85Å; E39-R43 IonicContact OE1-NE 3.99Å; E39-R43 IonicContact OE1-NH1 3.61Å; E39-R43 PolarHBondContact OE1-NH1 3.22Å |
| 40 | M | 50.4 | Low | 45.2 | Very low | 144 Ų | 144 | 135 Ų | 135 | 71% | 0.709 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -75.7 | -41.1 | 175.2 | -175.7 | 171.5 | -78.5 | 0 | 0 | 112.6 | M37 E38 R42 R43 S44 | M37-M40 PolarHBondContact O-N 3.21Å; E38-M40 VanDerWaalsContact C-N 3.29Å; E38-M40 PolarHBondContact O-N 3.34Å; M40-R42 VanDerWaalsContact C-N 3.34Å; M40-R43 PolarHBondContact O-N 3.35Å; M40-S44 PolarHBondContact O-N 3.4Å; M40-S44 PolarHBondContact O-OG 3.46Å |
| 41 | E | 50.5 | Low | 45.1 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 65% | 0.645 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -61.6 | -43.1 | 175.3 | -171.9 | 74 | -135.1 | 0 | 0 | 110.6 | M37 E38 R43 S44 | M37-E41 PolarHBondContact O-N 3.07Å; E38-E41 PolarHBondContact O-N 3.22Å; E41-R43 PolarHBondContact O-N 2.86Å; E41-S44 PolarHBondContact O-N 3.04Å |
| 42 | R | 46.9 | Very low | 44.9 | Very low | 168 Ų | 168 | 140.7 Ų | 140.7 | 63% | 0.634 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -67.1 | -31.5 | -176.7 | -151.4 | -176.2 | 71.7 | 79.2 | 2 | 113.7 | E38 E39 M40 | E38-R42 WeakPolarHBondContact O-CB 3.46Å; E38-R42 PolarHBondContact O-N 2.87Å; E39-R42 IonicContact OE2-NE 2.68Å; M40-R42 VanDerWaalsContact C-N 3.34Å |
| 43 | R | 48.2 | Very low | 44.3 | Very low | 165 Ų | 165 | 136.7 Ų | 136.7 | 62% | 0.623 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -78.4 | -30.8 | 179.4 | -74.2 | 166.2 | 114.2 | 132.8 | -11.7 | 113.5 | E39 M40 E41 K45 T46 | E39-R43 WeakPolarHBondContact O-CD 3.22Å; E39-R43 WeakPolarHBondContact O-CG 3.28Å; E39-R43 PolarHBondContact O-N 2.59Å; E39-R43 WeakPolarHBondContact OE1-CD 3.44Å; E39-R43 IonicContact OE1-CZ 3.85Å; E39-R43 IonicContact OE1-NE 3.99Å; E39-R43 IonicContact OE1-NH1 3.61Å; E39-R43 PolarHBondContact OE1-NH1 3.22Å; M40-R43 PolarHBondContact O-N 3.35Å; E41-R43 PolarHBondContact O-N 2.86Å; R43-K45 PolarHBondContact O-N 3.36Å; R43-T46 PolarHBondContact O-OG1 2.88Å; R43-T46 VanDerWaalsContact O-OG1 3.04Å |
| 44 | S | 46.5 | Very low | 43.7 | Very low | 85 Ų | 85 | 138 Ų | 138 | 59% | 0.594 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -70.8 | -14.5 | 179.4 | -59.1 | 0 | 0 | 0 | 0 | 113.7 | M40 E41 | M40-S44 PolarHBondContact O-N 3.4Å; M40-S44 PolarHBondContact O-OG 3.46Å; E41-S44 PolarHBondContact O-N 3.04Å |
| 45 | K | 41.6 | Very low | 43.5 | Very low | 164 Ų | 164 | 137.7 Ų | 137.7 | 71% | 0.713 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -5.4 | -174.3 | -140.4 | 161.1 | -167.4 | 159.7 | 0 | 114.9 | R43 | R43-K45 PolarHBondContact O-N 3.36Š|
| 46 | T | 44.6 | Very low | 43.5 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 66% | 0.656 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -26.7 | 177.8 | 38 | 0 | 0 | 0 | 0 | 114.2 | R43 | R43-T46 PolarHBondContact O-OG1 2.88Å; R43-T46 VanDerWaalsContact O-OG1 3.04Å |
| 47 | D | 40.4 | Very low | 42.7 | Very low | 145 Ų | 145 | 144.9 Ų | 144.9 | 78% | 0.775 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -77.7 | -30.1 | -173.7 | -159.4 | -113.2 | 0 | 0 | 0 | 113.2 | R49 | D47-R49 PolarHBondContact O-N 3.47Š|
| 48 | S | 39.1 | Very low | 42.5 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 66% | 0.664 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 20.9 | -170.8 | 51.5 | 0 | 0 | 0 | 0 | 116 | ||
| 49 | R | 45.4 | Very low | 42 | Very low | 232 Ų | 232 | 145.4 Ų | 145.4 | 88% | 0.875 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.7 | 5.6 | -172.7 | -130.4 | -179 | -167.6 | -161.1 | 2.2 | 116.7 | D47 | D47-R49 PolarHBondContact O-N 3.47Š|
| 50 | L | 41.9 | Very low | 41.4 | Very low | 165 Ų | 165 | 150.4 Ų | 150.4 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | trans | -127.8 | 44.6 | -171.5 | -98.5 | 160.9 | 0 | 0 | 0 | 115.3 | ||||
| 51 | T | 42.3 | Very low | 41.1 | Very low | 132 Ų | 132 | 149.2 Ų | 149.2 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | -131.6 | 68.7 | 175.6 | 48.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 52 | K | 37.1 | Very low | 40.5 | Very low | 218 Ų | 218 | 148.9 Ų | 148.9 | 95% | 0.948 | 78% | 0.781 | S | S | * | * | trans | -166.9 | 117.3 | 163.1 | -110.4 | 167.1 | -174.2 | 179.5 | 0 | 111 | ||||
| 53 | G | 33.1 | Very low | 40.3 | Very low | 70 Ų | 70 | 149.2 Ų | 149.2 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | 162.8 | 98.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 54 | V | 33.6 | Very low | 40 | Very low | 151 Ų | 151 | 146.5 Ų | 146.5 | 92% | 0.915 | 80% | 0.795 | S | S | * | * | trans | 70.5 | 172.9 | 144.7 | -170.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 55 | Q | 38.6 | Very low | 39.7 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -122.4 | 161 | -148.7 | -62.9 | 172 | 5.8 | 0 | 0 | 114.2 | ||||
| 56 | L | 42.9 | Very low | 39.8 | Very low | 148 Ų | 148 | 148.4 Ų | 148.4 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | trans | 37.6 | 112.7 | 144.1 | -63.2 | 170.8 | 0 | 0 | 0 | 119.6 | ||||
| 57 | N | 33.3 | Very low | 39.6 | Very low | 170 Ų | 170 | 145.8 Ų | 145.8 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | -163.9 | 145.7 | 113.9 | -101.1 | -33.4 | 0 | 0 | 0 | 111 | |||||
| 58 | G | 40.2 | Very low | 40 | Very low | 72 Ų | 72 | 145.3 Ų | 145.3 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | -97.8 | 147.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 59 | R | 36.5 | Very low | 40.7 | Very low | 244 Ų | 244 | 149.3 Ų | 149.3 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -174 | 140.2 | 158.4 | 43.3 | -173.3 | 163.5 | 175.6 | -3.9 | 111 | ||||
| 60 | E | 36 | Very low | 41.4 | Very low | 182 Ų | 182 | 147.6 Ų | 147.6 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | trans | 26.2 | 131 | 169.1 | -120.1 | 78.6 | 114.2 | 0 | 0 | 121.9 | ||||
| 61 | S | 45.3 | Very low | 42.4 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -76.4 | 121.8 | 172.8 | -59.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 62 | T | 37.4 | Very low | 44.1 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -138.5 | 103.5 | 156.9 | -57.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 63 | M | 43.1 | Very low | 46.7 | Very low | 174 Ų | 174 | 132 Ų | 132 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 138.2 | 173.1 | -73.5 | -69 | -148.8 | 0 | 0 | 110.5 | S65 | M63-S65 PolarHBondContact O-N 3.05Š|
| 64 | P | 41.4 | Very low | 49.5 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 122.4 | 169.7 | 29 | -32.5 | 0 | 0 | 0 | 109.9 | M66 | P64-M66 PolarHBondContact O-N 3.01Š|
| 65 | S | 39.6 | Very low | 52.1 | Low | 122 Ų | 122 | 124 Ų | 124 | 85% | 0.853 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 121.8 | 176.4 | -173.2 | 0 | 0 | 0 | 0 | 110.7 | M63 | M63-S65 PolarHBondContact O-N 3.05Š|
| 66 | M | 44.5 | Very low | 54.4 | Low | 167 Ų | 167 | 118 Ų | 118 | 82% | 0.823 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 140.6 | 167 | -73.1 | -67 | 176.8 | 0 | 0 | 109.5 | P64 | P64-M66 PolarHBondContact O-N 3.01Š|
| 67 | G | 39.7 | Very low | 56.6 | Low | 53 Ų | 53 | 114.6 Ų | 114.6 | 55% | 0.546 | 66% | 0.662 | S | S | . | * | trans | -68.1 | -178 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | E69 | G67-E69 PolarHBondContact O-N 3.43Š| ||
| 68 | P | 49.6 | Very low | 59.2 | Low | 134 Ų | 134 | 109 Ų | 109 | 87% | 0.87 | 64% | 0.643 | S | S | * | * | trans | -65.2 | 103.3 | -174.5 | 26.6 | -34.7 | 0 | 0 | 0 | 111.8 | K70 | P68-K70 PolarHBondContact O-N 3.31Š| ||
| 69 | E | 54.1 | Low | 61.6 | Low | 179 Ų | 179 | 107 Ų | 107 | 84% | 0.836 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 126.8 | 166.7 | -72.4 | -80.3 | 86 | 0 | 0 | 109.7 | G67 | G67-E69 PolarHBondContact O-N 3.43Š|
| 70 | K | 59.3 | Low | 64.2 | Low | 197 Ų | 197 | 102.7 Ų | 102.7 | 86% | 0.857 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 130.5 | -179 | -71.1 | 175.1 | -179.5 | 171.9 | 0 | 108.9 | P68 A72 | P68-K70 PolarHBondContact O-N 3.31Å; K70-A72 PolarHBondContact O-N 3.04Å |
| 71 | P | 62.6 | Low | 66.7 | Low | 72 Ų | 72 | 94.9 Ų | 94.9 | 47% | 0.468 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 133.1 | -175.1 | 24.6 | -34.2 | 0 | 0 | 0 | 110.3 | L73 K80 | P71-L73 HydrophobicContact CB-CD2 4.46Å; P71-L73 HydrophobicContact CG-CD2 4.4Å; P71-L73 WeakPolarHBondContact O-CG 3.44Å; P71-L73 PolarHBondContact O-N 2.82Å; P71-K80 HydrophobicContact CB-CD 4.27Å; P71-K80 HydrophobicContact CB-CG 4.26Å |
| 72 | A | 78.5 | Confident | 68.7 | Low | 27 Ų | 27 | 94.7 Ų | 94.7 | 22% | 0.223 | 57% | 0.574 | C | S | . | * | trans | -59 | 104.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110 | K70 K80 I81 Q93 | K70-A72 PolarHBondContact O-N 3.04Å; A72-K80 CarbonylContact O-C 3.57Å; A72-K80 WeakPolarHBondContact O-CA 3.47Å; A72-I81 HydrophobicContact CB-CB 4.16Å; A72-I81 HydrophobicContact CB-CD1 4.4Å; A72-I81 PolarHBondContact O-N 3.07Å; A72-Q93 VanDerWaalsContact CA-OE1 3.22Å | ||
| 73 | L | 91 | Very high | 71 | Confident | 89 Ų | 89 | 90.6 Ų | 90.6 | 47% | 0.466 | 55% | 0.547 | S | S | . | . | B | Isolated β-bridge | trans | -99.7 | 128.3 | 178.7 | -60.7 | -170.8 | 0 | 0 | 0 | 110.1 | P71 A75 K80 | P71-L73 HydrophobicContact CB-CD2 4.46Å; P71-L73 HydrophobicContact CG-CD2 4.4Å; P71-L73 WeakPolarHBondContact O-CG 3.44Å; P71-L73 PolarHBondContact O-N 2.82Å; L73-A75 PolarHBondContact O-N 3.13Å; L73-K80 HydrophobicContact CD2-CB 4.38Å; L73-K80 HydrophobicContact CD2-CG 3.71Å |
| 74 | C | 91.6 | Very high | 73.1 | Confident | 1 Ų | 1 | 91 Ų | 91 | 1% | 0.007 | 54% | 0.539 | C | S | . | . | trans | -70.4 | 118 | 177.7 | 171.5 | 0 | 0 | 0 | 0 | 111 | G76 C77 G78 G79 I81 Q93 H95 C98 | C74-G76 PolarHBondContact O-N 3.44Å; C74-G76 VanDerWaalsContact O-N 3.08Å; C74-G76 PolarHBondContact SG-N 2.96Å; C74-C77 PolarHBondContact O-N 3.28Å; C74-C77 VanDerWaalsContact O-N 3.13Å; C74-C77 VanDerWaalsContact SG-SG 3.61Å; C74-G78 WeakPolarHBondContact O-CA 3.45Å; C74-G78 PolarHBondContact O-N 3.13Å; C74-G79 PolarHBondContact N-O 3.25Å; C74-I81 HydrophobicContact CB-CD1 4.14Å; C74-I81 HydrophobicContact CB-CG1 3.85Å; C74-Q93 WeakPolarHBondContact CA-O 3.14Å; C74-H95 VanDerWaalsContact CB-CE1 3.43Å; C74-H95 WeakPolarHBondContact CB-CE1 3.46Å; C74-H95 WeakPolarHBondContact CB-ND1 3.31Å; C74-H95 PolarHBondContact SG-N 3.5Å; C74-H95 PolarHBondContact SG-ND1 3.33Å; C74-H95 VanDerWaalsContact SG-ND1 3.36Å; C74-C98 WeakPolarHBondContact SG-CB 3.42Å | ||
| 75 | A | 88.5 | Confident | 75.2 | Confident | 52 Ų | 52 | 92.1 Ų | 92.1 | 43% | 0.43 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L73 K92 Q93 W94 | L73-A75 PolarHBondContact O-N 3.13Å; A75-K92 HydrophobicContact CB-CB 3.89Å; A75-K92 HydrophobicContact CB-CD 3.94Å; A75-K92 HydrophobicContact CB-CG 4.31Å; A75-Q93 PolarHBondContact N-O 2.95Å; A75-W94 HydrophobicContact CB-CD2 4.15Å; A75-W94 HydrophobicContact CB-CE3 4.31Å; A75-W94 HydrophobicContact CB-CH2 3.96Å; A75-W94 HydrophobicContact CB-CZ2 3.78Å; A75-W94 HydrophobicContact CB-CZ3 4.22Å |
| 76 | G | 86.8 | Confident | 77.5 | Confident | 37 Ų | 37 | 87.7 Ų | 87.7 | 38% | 0.381 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -8.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116 | C74 | C74-G76 PolarHBondContact O-N 3.44Å; C74-G76 VanDerWaalsContact O-N 3.08Å; C74-G76 PolarHBondContact SG-N 2.96Å |
| 77 | C | 89.6 | Confident | 79.5 | Confident | 76 Ų | 76 | 80.3 Ų | 80.3 | 51% | 0.514 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -150.1 | -2.1 | 179.5 | 68.4 | 0 | 0 | 0 | 0 | 116.2 | C74 G79 H95 C98 | C74-C77 PolarHBondContact O-N 3.28Å; C74-C77 VanDerWaalsContact O-N 3.13Å; C74-C77 VanDerWaalsContact SG-SG 3.61Å; C77-G79 PolarHBondContact O-N 3.37Å; C77-H95 VanDerWaalsContact SG-CE1 3.58Å; C77-H95 PolarHBondContact SG-ND1 3.22Å; C77-C98 VanDerWaalsContact SG-SG 3.64Å |
| 78 | G | 87.6 | Confident | 81.8 | Confident | 51 Ų | 51 | 80.5 Ų | 80.5 | 53% | 0.526 | 45% | 0.447 | S | S | . | . | S | Bend | trans | 72.8 | -15.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | C74 | C74-G78 WeakPolarHBondContact O-CA 3.45Å; C74-G78 PolarHBondContact O-N 3.13Å |
| 79 | G | 90.6 | Very high | 83.5 | Confident | 31 Ų | 31 | 74.4 Ų | 74.4 | 32% | 0.32 | 41% | 0.408 | S | S | . | . | trans | -69.1 | 153.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | C74 C77 | C74-G79 PolarHBondContact N-O 3.25Å; C77-G79 PolarHBondContact O-N 3.37Å | ||
| 80 | K | 91.5 | Very high | 85 | Confident | 154 Ų | 154 | 69.5 Ų | 69.5 | 67% | 0.67 | 39% | 0.39 | S | S | * | . | B | Isolated β-bridge | trans | -65.8 | 134.9 | 171.8 | -64 | -178.4 | 179.5 | 179.2 | 0 | 110.3 | P71 A72 L73 S82 | P71-K80 HydrophobicContact CB-CD 4.27Å; P71-K80 HydrophobicContact CB-CG 4.26Å; A72-K80 CarbonylContact O-C 3.57Å; A72-K80 WeakPolarHBondContact O-CA 3.47Å; L73-K80 HydrophobicContact CD2-CB 4.38Å; L73-K80 HydrophobicContact CD2-CG 3.71Å; K80-S82 PolarHBondContact O-N 3.45Å |
| 81 | I | 89.4 | Confident | 86.2 | Confident | 18 Ų | 18 | 67.7 Ų | 67.7 | 9% | 0.092 | 39% | 0.39 | C | S | . | . | trans | -80.4 | 108.7 | 176.1 | -59.8 | 175.1 | 0 | 0 | 0 | 109 | A72 C74 D83 Y86 Q93 H95 | A72-I81 HydrophobicContact CB-CB 4.16Å; A72-I81 HydrophobicContact CB-CD1 4.4Å; A72-I81 PolarHBondContact O-N 3.07Å; C74-I81 HydrophobicContact CB-CD1 4.14Å; C74-I81 HydrophobicContact CB-CG1 3.85Å; I81-D83 HydrophobicContact CG2-CB 4.37Å; I81-Y86 HydrophobicContact CD1-CG 4.48Å; I81-Y86 HydrophobicContact CG2-CD1 4.04Å; I81-Y86 HydrophobicContact CG2-CG 4.14Å; I81-Q93 HydrophobicContact CD1-CB 3.54Å; I81-H95 WeakPolarHBondContact CA-NE2 3.46Å | ||
| 82 | S | 87.3 | Confident | 87.4 | Confident | 115 Ų | 115 | 69.7 Ų | 69.7 | 80% | 0.804 | 39% | 0.391 | S | S | * | . | trans | -103.3 | -1.1 | 169.9 | 57.8 | 0 | 0 | 0 | 0 | 113.3 | K80 | K80-S82 PolarHBondContact O-N 3.45Š| ||
| 83 | D | 85.6 | Confident | 88 | Confident | 46 Ų | 46 | 71.1 Ų | 71.1 | 25% | 0.246 | 39% | 0.393 | C | S | . | . | trans | -67.8 | 139.2 | 179.7 | -73 | -26.7 | 0 | 0 | 0 | 111.5 | I81 Y85 H95 | I81-D83 HydrophobicContact CG2-CB 4.37Å; D83-Y85 WeakPolarHBondContact CB-O 3.39Å; D83-Y85 PolarHBondContact O-N 3.19Å; D83-H95 IonicContact OD2-CD2 3.83Å; D83-H95 PolarHBondContact OD2-CD2 3.43Å; D83-H95 VanDerWaalsContact OD2-CD2 3.26Å; D83-H95 IonicContact OD2-CG 3.63Å | ||
| 84 | R | 86.7 | Confident | 87.9 | Confident | 183 Ų | 183 | 68.3 Ų | 68.3 | 69% | 0.691 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -57.8 | -31.6 | 176 | -178.7 | -177.6 | -69.3 | -175.8 | -0.2 | 112.7 | G5 C6 | G5-R84 WeakPolarHBondContact CA-O 3.24Å; C6-R84 PolarHBondContact N-O 3.15Å |
| 85 | Y | 84.6 | Confident | 87.9 | Confident | 130 Ų | 130 | 69.3 Ų | 69.3 | 51% | 0.51 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 136.1 | 178.6 | -54.2 | -71 | 0 | 0 | 0 | 109.1 | V4 D83 L96 | V4-Y85 WeakPolarHBondContact O-CA 3.28Å; D83-Y85 WeakPolarHBondContact CB-O 3.39Å; D83-Y85 PolarHBondContact O-N 3.19Å; Y85-L96 VanDerWaalsContact O-CD1 3.29Å; Y85-L96 WeakPolarHBondContact O-CD1 3.47Å |
| 86 | Y | 88.3 | Confident | 87.8 | Confident | 30 Ų | 30 | 69.3 Ų | 69.3 | 12% | 0.118 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 164.6 | 175 | 63.5 | -95.5 | 0 | 0 | 0 | 111 | V4 C6 I81 Q93 | V4-Y86 HydrophobicContact CB-CD2 4.25Å; V4-Y86 HydrophobicContact CB-CE1 4.21Å; V4-Y86 HydrophobicContact CB-CE2 3.7Å; V4-Y86 HydrophobicContact CG1-CE1 4.17Å; V4-Y86 HydrophobicContact CG1-CE2 4.14Å; V4-Y86 WeakPolarHBondContact CG1-OH 3.34Å; V4-Y86 HydrophobicContact CG2-CE2 4.22Å; V4-Y86 PolarHBondContact N-O 3.26Å; V4-Y86 PolarHBondContact O-N 3.22Å; C6-Y86 HydrophobicContact CB-CD1 4.26Å; C6-Y86 HydrophobicContact CB-CE1 3.99Å; I81-Y86 HydrophobicContact CD1-CG 4.48Å; I81-Y86 HydrophobicContact CG2-CD1 4.04Å; I81-Y86 HydrophobicContact CG2-CG 4.14Å; Y86-Q93 HydrophobicContact CD2-CB 4.24Å; Y86-Q93 HydrophobicContact CD2-CG 4.29Å; Y86-Q93 HydrophobicContact CE2-CB 4.35Å; Y86-Q93 HydrophobicContact CE2-CG 3.9Å |
| 87 | L | 87.2 | Confident | 87.8 | Confident | 12 Ų | 12 | 75.4 Ų | 75.4 | 6% | 0.063 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 129 | -177 | -56.7 | -179 | 0 | 0 | 0 | 110.2 | V3 W94 L96 L99 | V3-L87 HydrophobicContact CG2-CD2 3.84Å; L87-W94 PolarHBondContact N-O 2.94Å; L87-W94 PolarHBondContact O-N 3.46Å; L87-L96 HydrophobicContact CD1-CG 4.21Å; L87-L96 HydrophobicContact CD2-CD1 4.37Å; L87-L96 HydrophobicContact CD2-CG 4.4Å; L87-L96 HydrophobicContact CG-CD1 4.06Å; L87-L96 HydrophobicContact CG-CG 4.14Å; L87-L99 HydrophobicContact CB-CD2 4.42Å; L87-L99 HydrophobicContact CD1-CB 4.18Å; L87-L99 HydrophobicContact CD1-CD2 3.39Å; L87-L99 HydrophobicContact CD1-CG 4.43Å |
| 88 | L | 87.4 | Confident | 87.7 | Confident | 57 Ų | 57 | 73 Ų | 73 | 30% | 0.298 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 123.7 | 171.4 | -170.9 | 68 | 0 | 0 | 0 | 109.7 | E2 V4 Q93 | E2-L88 PolarHBondContact N-O 2.92Å; E2-L88 PolarHBondContact O-N 3.33Å; V4-L88 HydrophobicContact CG2-CB 4.09Å; L88-Q93 HydrophobicContact CD1-CG 4.07Å |
| 89 | A | 85.9 | Confident | 87.8 | Confident | 6 Ų | 6 | 70.5 Ų | 70.5 | 5% | 0.05 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 126.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1 D91 K92 W94 L99 | M1-A89 HydrophobicContact CE-CB 3.32Å; M1-A89 HydrophobicContact CG-CB 3.89Å; A89-D91 VanDerWaalsContact C-N 3.27Å; A89-D91 PolarHBondContact O-N 3.24Å; A89-K92 PolarHBondContact N-O 2.82Å; A89-K92 WeakPolarHBondContact O-CB 3.02Å; A89-K92 PolarHBondContact O-N 2.92Å; A89-K92 VanDerWaalsContact O-O 3.06Å; A89-W94 PolarHBondContact O-NE1 2.86Å; A89-L99 HydrophobicContact CB-CD1 4.34Å |
| 90 | V | 85.5 | Confident | 87.8 | Confident | 75 Ų | 75 | 74 Ų | 74 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 47.9 | 178.7 | -158.5 | 0 | 0 | 0 | 0 | 111.2 | K92 A116 I121 | V90-K92 WeakPolarHBondContact O-CG 3.3Å; V90-K92 PolarHBondContact O-N 2.9Å; V90-A116 HydrophobicContact CG1-CB 4.44Å; V90-A116 HydrophobicContact CG2-CB 3.41Å; V90-A116 VanDerWaalsContact CG2-CB 3.41Å; V90-I121 HydrophobicContact CG2-CD1 3.62Å |
| 91 | D | 84.7 | Confident | 87.7 | Confident | 160 Ų | 160 | 66.6 Ų | 66.6 | 86% | 0.856 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 26 | -178.5 | -46.6 | -43.9 | 0 | 0 | 0 | 114.3 | A89 | A89-D91 VanDerWaalsContact C-N 3.27Å; A89-D91 PolarHBondContact O-N 3.24Å |
| 92 | K | 87.6 | Confident | 87.7 | Confident | 113 Ų | 113 | 67.5 Ų | 67.5 | 49% | 0.491 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 147.8 | 178.9 | -67.5 | 177.6 | -163.4 | -53.5 | 0 | 110.9 | A75 A89 V90 W94 | A75-K92 HydrophobicContact CB-CB 3.89Å; A75-K92 HydrophobicContact CB-CD 3.94Å; A75-K92 HydrophobicContact CB-CG 4.31Å; A89-K92 PolarHBondContact N-O 2.82Å; A89-K92 WeakPolarHBondContact O-CB 3.02Å; A89-K92 PolarHBondContact O-N 2.92Å; A89-K92 VanDerWaalsContact O-O 3.06Å; V90-K92 WeakPolarHBondContact O-CG 3.3Å; V90-K92 PolarHBondContact O-N 2.9Å; K92-W94 HydrophobicContact CB-CZ2 4.4Å; K92-W94 PolarHBondContact O-NE1 2.82Å |
| 93 | Q | 90.1 | Very high | 87.7 | Confident | 57 Ų | 57 | 64.5 Ų | 64.5 | 27% | 0.266 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 142.6 | -179.5 | -60.6 | 165.3 | -28.5 | 0 | 0 | 110 | A72 C74 A75 I81 Y86 L88 | A72-Q93 VanDerWaalsContact CA-OE1 3.22Å; C74-Q93 WeakPolarHBondContact CA-O 3.14Å; A75-Q93 PolarHBondContact N-O 2.95Å; I81-Q93 HydrophobicContact CD1-CB 3.54Å; Y86-Q93 HydrophobicContact CD2-CB 4.24Å; Y86-Q93 HydrophobicContact CD2-CG 4.29Å; Y86-Q93 HydrophobicContact CE2-CB 4.35Å; Y86-Q93 HydrophobicContact CE2-CG 3.9Å; L88-Q93 HydrophobicContact CD1-CG 4.07Å |
| 94 | W | 90.4 | Very high | 87.9 | Confident | 30 Ų | 30 | 65.6 Ų | 65.6 | 11% | 0.114 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 137.3 | -176 | -51.6 | 77.1 | 0 | 0 | 0 | 110.8 | A75 L87 A89 K92 L99 I121 | A75-W94 HydrophobicContact CB-CD2 4.15Å; A75-W94 HydrophobicContact CB-CE3 4.31Å; A75-W94 HydrophobicContact CB-CH2 3.96Å; A75-W94 HydrophobicContact CB-CZ2 3.78Å; A75-W94 HydrophobicContact CB-CZ3 4.22Å; L87-W94 PolarHBondContact N-O 2.94Å; L87-W94 PolarHBondContact O-N 3.46Å; A89-W94 PolarHBondContact O-NE1 2.86Å; K92-W94 HydrophobicContact CB-CZ2 4.4Å; K92-W94 PolarHBondContact O-NE1 2.82Å; W94-L99 HydrophobicContact CB-CB 4.04Å; W94-L99 HydrophobicContact CB-CD1 4.34Å; W94-L99 HydrophobicContact CD2-CD1 3.84Å; W94-L99 HydrophobicContact CE3-CD1 4.23Å; W94-L99 HydrophobicContact CG-CB 4.42Å; W94-L99 HydrophobicContact CG-CD1 3.88Å; W94-I121 HydrophobicContact CH2-CG1 4.17Å; W94-I121 HydrophobicContact CZ2-CG1 4.11Å |
| 95 | H | 90.2 | Very high | 87.9 | Confident | 22 Ų | 22 | 63.1 Ų | 63.1 | 10% | 0.102 | 30% | 0.303 | C | S | . | . | trans | -61.5 | 148.4 | 159 | -51.2 | 117.5 | 0 | 0 | 0 | 109.2 | C74 C77 I81 D83 R97 C98 L99 | C74-H95 VanDerWaalsContact CB-CE1 3.43Å; C74-H95 WeakPolarHBondContact CB-CE1 3.46Å; C74-H95 WeakPolarHBondContact CB-ND1 3.31Å; C74-H95 PolarHBondContact SG-N 3.5Å; C74-H95 PolarHBondContact SG-ND1 3.33Å; C74-H95 VanDerWaalsContact SG-ND1 3.36Å; C77-H95 VanDerWaalsContact SG-CE1 3.58Å; C77-H95 PolarHBondContact SG-ND1 3.22Å; I81-H95 WeakPolarHBondContact CA-NE2 3.46Å; D83-H95 IonicContact OD2-CD2 3.83Å; D83-H95 PolarHBondContact OD2-CD2 3.43Å; D83-H95 VanDerWaalsContact OD2-CD2 3.26Å; D83-H95 IonicContact OD2-CG 3.63Å; H95-R97 VanDerWaalsContact C-N 3.3Å; H95-R97 PolarHBondContact O-N 2.88Å; H95-C98 HydrophobicContact CB-CB 3.97Å; H95-C98 PolarHBondContact ND1-SG 3.22Å; H95-C98 VanDerWaalsContact ND1-SG 3.38Å; H95-C98 PolarHBondContact O-N 2.81Å; H95-L99 PolarHBondContact O-N 3.48Å | ||
| 96 | L | 86.6 | Confident | 88.1 | Confident | 53 Ų | 53 | 62.5 Ų | 62.5 | 28% | 0.277 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -51 | -49.1 | 179 | -79.4 | 63.7 | 0 | 0 | 0 | 111.6 | Y85 L87 C98 L99 E109 | Y85-L96 VanDerWaalsContact O-CD1 3.29Å; Y85-L96 WeakPolarHBondContact O-CD1 3.47Å; L87-L96 HydrophobicContact CD1-CG 4.21Å; L87-L96 HydrophobicContact CD2-CD1 4.37Å; L87-L96 HydrophobicContact CD2-CG 4.4Å; L87-L96 HydrophobicContact CG-CD1 4.06Å; L87-L96 HydrophobicContact CG-CG 4.14Å; L96-C98 VanDerWaalsContact C-N 3.32Å; L96-C98 PolarHBondContact O-N 3.29Å; L96-L99 PolarHBondContact O-N 2.96Å; L96-E109 HydrophobicContact CB-CB 4.46Å |
| 97 | R | 86.8 | Confident | 88 | Confident | 164 Ų | 164 | 64.7 Ų | 64.7 | 62% | 0.619 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -72.8 | -14.9 | 177.8 | -61 | -177.1 | -63.4 | -80.9 | -4.6 | 114.9 | H95 H107 | H95-R97 VanDerWaalsContact C-N 3.3Å; H95-R97 PolarHBondContact O-N 2.88Å; R97-H107 PolarHBondContact O-CD2 3.27Å |
| 98 | C | 88.8 | Confident | 87.9 | Confident | 25 Ų | 25 | 64.4 Ų | 64.4 | 17% | 0.169 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -90.1 | -21.3 | 178.4 | -70 | 0 | 0 | 0 | 0 | 112.6 | C74 C77 H95 L96 K100 | C74-C98 WeakPolarHBondContact SG-CB 3.42Å; C77-C98 VanDerWaalsContact SG-SG 3.64Å; H95-C98 HydrophobicContact CB-CB 3.97Å; H95-C98 PolarHBondContact ND1-SG 3.22Å; H95-C98 VanDerWaalsContact ND1-SG 3.38Å; H95-C98 PolarHBondContact O-N 2.81Å; L96-C98 VanDerWaalsContact C-N 3.32Å; L96-C98 PolarHBondContact O-N 3.29Å; C98-K100 PolarHBondContact O-N 3.27Å |
| 99 | L | 88.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | trans | -80.1 | 103.5 | 174.6 | -177.3 | 81.4 | 0 | 0 | 0 | 110.3 | M1 L87 A89 W94 H95 L96 L108 I121 | M1-L99 HydrophobicContact CE-CD1 3.44Å; M1-L99 VanDerWaalsContact CE-CD1 3.44Å; M1-L99 HydrophobicContact CE-CD2 3.22Å; M1-L99 HydrophobicContact CE-CG 3.85Å; M1-L99 HydrophobicContact SD-CD2 3.84Å; L87-L99 HydrophobicContact CB-CD2 4.42Å; L87-L99 HydrophobicContact CD1-CB 4.18Å; L87-L99 HydrophobicContact CD1-CD2 3.39Å; L87-L99 HydrophobicContact CD1-CG 4.43Å; A89-L99 HydrophobicContact CB-CD1 4.34Å; W94-L99 HydrophobicContact CB-CB 4.04Å; W94-L99 HydrophobicContact CB-CD1 4.34Å; W94-L99 HydrophobicContact CD2-CD1 3.84Å; W94-L99 HydrophobicContact CE3-CD1 4.23Å; W94-L99 HydrophobicContact CG-CB 4.42Å; W94-L99 HydrophobicContact CG-CD1 3.88Å; H95-L99 PolarHBondContact O-N 3.48Å; L96-L99 PolarHBondContact O-N 2.96Å; L99-L108 HydrophobicContact CD2-CB 3.75Å; L99-L108 HydrophobicContact CG-CB 4.04Å; L99-L108 PolarHBondContact O-N 3.44Å; L99-I121 HydrophobicContact CD1-CG2 4.44Å | ||
| 100 | K | 90.1 | Very high | 86.5 | Confident | 103 Ų | 103 | 70.9 Ų | 70.9 | 45% | 0.448 | 35% | 0.353 | S | S | . | . | B | Isolated β-bridge | trans | -138.9 | 152.3 | -178.3 | 59.5 | -168.4 | 171.4 | -169.9 | 0 | 112 | C98 C102 K105 Q106 | C98-K100 PolarHBondContact O-N 3.27Å; K100-C102 PolarHBondContact O-N 2.9Å; K100-K105 WeakPolarHBondContact CB-O 3.2Å; K100-Q106 VanDerWaalsContact CA-O 3.25Å; K100-Q106 WeakPolarHBondContact CA-O 3.3Å; K100-Q106 WeakPolarHBondContact CB-O 3.16Å |
| 101 | C | 90.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.348 | C | S | . | . | trans | -61.1 | 134.7 | 172.5 | -179.6 | 0 | 0 | 0 | 0 | 110.6 | E103 C104 K105 Q106 L108 C123 D126 | C101-E103 PolarHBondContact O-N 3.48Å; C101-E103 PolarHBondContact SG-N 2.88Å; C101-C104 VanDerWaalsContact CB-SG 3.52Å; C101-K105 WeakPolarHBondContact O-CA 3.37Å; C101-K105 PolarHBondContact O-N 2.87Å; C101-K105 VanDerWaalsContact O-N 3.15Å; C101-Q106 PolarHBondContact N-O 2.79Å; C101-L108 HydrophobicContact CB-CD2 4.34Å; C101-C123 HydrophobicContact CB-CB 4.1Å; C101-C123 PolarHBondContact SG-N 3.02Å; C101-D126 PolarHBondContact SG-OD2 3.38Å; C101-D126 VanDerWaalsContact SG-OD2 3.32Å | ||
| 102 | C | 89.5 | Confident | 84.8 | Confident | 37 Ų | 37 | 68.6 Ų | 68.6 | 25% | 0.25 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -18.9 | 176.4 | 63.8 | 0 | 0 | 0 | 0 | 113.4 | K100 K105 I121 Y122 | K100-C102 PolarHBondContact O-N 2.9Å; C102-K105 PolarHBondContact O-NZ 3.31Å; C102-I121 PolarHBondContact N-O 3.22Å; C102-I121 PolarHBondContact SG-O 2.9Å; C102-Y122 WeakPolarHBondContact SG-CE1 3.11Å |
| 103 | E | 87.6 | Confident | 84.2 | Confident | 52 Ų | 52 | 67.2 Ų | 67.2 | 24% | 0.243 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -84.7 | 177.2 | -53 | -61.4 | 173.5 | 0 | 0 | 111 | C101 K105 Y122 D126 R130 | C101-E103 PolarHBondContact O-N 3.48Å; C101-E103 PolarHBondContact SG-N 2.88Å; E103-K105 WeakPolarHBondContact O-CD 3.38Å; E103-K105 PolarHBondContact O-N 2.9Å; E103-Y122 HydrophobicContact CG-CD1 3.84Å; E103-Y122 HydrophobicContact CG-CE1 3.65Å; E103-Y122 WeakPolarHBondContact OE1-CE1 3.33Å; E103-D126 HydrophobicContact CB-CB 4.13Å; E103-D126 WeakPolarHBondContact CB-OD2 3.21Å; E103-D126 HydrophobicContact CG-CB 4.23Å; E103-R130 IonicContact OE1-CZ 2.59Å; E103-R130 IonicContact OE1-NE 3.76Å; E103-R130 PolarHBondContact OE1-NE 3.38Å; E103-R130 IonicContact OE1-NH1 2.94Å; E103-R130 PolarHBondContact OE1-NH1 3Å; E103-R130 IonicContact OE1-NH2 3.33Å; E103-R130 IonicContact OE2-CZ 3.98Å; E103-R130 IonicContact OE2-NE 2.76Å; E103-R130 IonicContact OE2-NH1 2.93Å; E103-R130 PolarHBondContact OE2-NH1 3.32Å; E103-R130 VanDerWaalsContact OE2-NH1 3.08Å; E103-R130 IonicContact OE2-NH2 3.86Å; E103-R130 PolarHBondContact OE2-NH2 3.49Å |
| 104 | C | 88.4 | Confident | 84 | Confident | 68 Ų | 68 | 65.9 Ų | 65.9 | 46% | 0.459 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -5.4 | -177.5 | 63.9 | 0 | 0 | 0 | 0 | 116 | C101 Q106 D126 | C101-C104 VanDerWaalsContact CB-SG 3.52Å; C104-Q106 PolarHBondContact O-N 2.93Å; C104-Q106 VanDerWaalsContact SG-CB 3.58Å; C104-D126 VanDerWaalsContact CB-OD2 3.26Å; C104-D126 WeakPolarHBondContact CB-OD2 3.46Å; C104-D126 PolarHBondContact N-OD2 3.21Å; C104-D126 PolarHBondContact SG-OD2 3.16Å |
| 105 | K | 87.8 | Confident | 83.8 | Confident | 131 Ų | 131 | 66.9 Ų | 66.9 | 57% | 0.57 | 34% | 0.338 | S | S | * | . | trans | 58.7 | 4.5 | -177 | -44.1 | -53.1 | -177.5 | -173.9 | 0 | 115.9 | K100 C101 C102 E103 | K100-K105 WeakPolarHBondContact CB-O 3.2Å; C101-K105 WeakPolarHBondContact O-CA 3.37Å; C101-K105 PolarHBondContact O-N 2.87Å; C101-K105 VanDerWaalsContact O-N 3.15Å; C102-K105 PolarHBondContact O-NZ 3.31Å; E103-K105 WeakPolarHBondContact O-CD 3.38Å; E103-K105 PolarHBondContact O-N 2.9Å | ||
| 106 | Q | 87.4 | Confident | 83.8 | Confident | 117 Ų | 117 | 68 Ų | 68 | 55% | 0.547 | 35% | 0.35 | S | S | . | . | trans | -58.9 | 135.9 | 176.2 | -172.5 | 60 | 47.8 | 0 | 0 | 111.3 | K100 C101 C104 | K100-Q106 VanDerWaalsContact CA-O 3.25Å; K100-Q106 WeakPolarHBondContact CA-O 3.3Å; K100-Q106 WeakPolarHBondContact CB-O 3.16Å; C101-Q106 PolarHBondContact N-O 2.79Å; C104-Q106 PolarHBondContact O-N 2.93Å; C104-Q106 VanDerWaalsContact SG-CB 3.58Å | ||
| 107 | H | 87.4 | Confident | 83.7 | Confident | 77 Ų | 77 | 68.8 Ų | 68.8 | 36% | 0.356 | 35% | 0.352 | S | S | . | . | B | Isolated β-bridge | trans | -64.6 | 133.8 | 172.3 | -55.1 | 113.4 | 0 | 0 | 0 | 110.4 | R97 E109 | R97-H107 PolarHBondContact O-CD2 3.27Å; H107-E109 HydrophobicContact CB-CG 4.35Å |
| 108 | L | 83.8 | Confident | 83.6 | Confident | 6 Ų | 6 | 67.3 Ų | 67.3 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | trans | -99.4 | 20.5 | -175.4 | -56.8 | 177.4 | 0 | 0 | 0 | 112.9 | L99 C101 S110 C114 I121 C123 | L99-L108 HydrophobicContact CD2-CB 3.75Å; L99-L108 HydrophobicContact CG-CB 4.04Å; L99-L108 PolarHBondContact O-N 3.44Å; C101-L108 HydrophobicContact CB-CD2 4.34Å; L108-S110 VanDerWaalsContact C-N 3.29Å; L108-S110 PolarHBondContact O-N 3.13Å; L108-C114 HydrophobicContact CD1-CB 3.93Å; L108-I121 HydrophobicContact CD1-CG2 3.62Å; L108-C123 HydrophobicContact CD2-CB 3.58Å | ||
| 109 | E | 75.7 | Confident | 83.3 | Confident | 100 Ų | 100 | 69.9 Ų | 69.9 | 47% | 0.467 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -69.9 | -24.2 | 177.9 | 63.9 | -171.3 | 177.4 | 0 | 0 | 113.3 | L96 H107 | L96-E109 HydrophobicContact CB-CB 4.46Å; H107-E109 HydrophobicContact CB-CG 4.35Å |
| 110 | S | 68.9 | Low | 83.3 | Confident | 98 Ų | 98 | 72 Ų | 72 | 69% | 0.685 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -90.5 | -22.1 | -178.1 | 55 | 0 | 0 | 0 | 0 | 114.6 | L108 | L108-S110 VanDerWaalsContact C-N 3.29Å; L108-S110 PolarHBondContact O-N 3.13Å |
| 111 | E | 67.8 | Low | 83.3 | Confident | 78 Ų | 78 | 67.7 Ų | 67.7 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | trans | -111.2 | 102.8 | 172.4 | -69.4 | -163.6 | 145.2 | 0 | 0 | 109.4 | T113 | E111-T113 PolarHBondContact O-N 2.93Š| ||
| 112 | L | 66.8 | Low | 83.2 | Confident | 109 Ų | 109 | 68.6 Ų | 68.6 | 57% | 0.571 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -61.2 | 2.3 | 179.6 | -67.8 | 129 | 0 | 0 | 0 | 114.7 | M1 V3 | M1-L112 PolarHBondContact N-O 3.01Å; V3-L112 HydrophobicContact CG2-CD2 4.34Å |
| 113 | T | 75.4 | Confident | 83.1 | Confident | 85 Ų | 85 | 67.5 Ų | 67.5 | 52% | 0.521 | 38% | 0.38 | S | S | . | . | trans | -125.8 | 77.4 | -178.1 | 47.9 | 0 | 0 | 0 | 0 | 111.7 | E111 | E111-T113 PolarHBondContact O-N 2.93Š| ||
| 114 | C | 84.6 | Confident | 83 | Confident | 28 Ų | 28 | 70 Ų | 70 | 19% | 0.189 | 39% | 0.39 | C | S | . | . | trans | -67.3 | 164.6 | 161 | 81.5 | 0 | 0 | 0 | 0 | 111.6 | M1 L108 I121 | M1-C114 HydrophobicContact CE-CB 3.46Å; M1-C114 VanDerWaalsContact CE-CB 3.46Å; M1-C114 WeakPolarHBondContact CE-SG 3.48Å; M1-C114 HydrophobicContact SD-CB 3.84Å; L108-C114 HydrophobicContact CD1-CB 3.93Å; C114-I121 HydrophobicContact CB-CG2 3.83Å | ||
| 115 | F | 87.5 | Confident | 82.8 | Confident | 52 Ų | 52 | 71.3 Ų | 71.3 | 23% | 0.228 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 145.1 | 166.3 | -64.5 | -98 | 0 | 0 | 0 | 109.6 | Y122 K124 Y127 Y128 | F115-Y122 PolarHBondContact N-O 2.85Å; F115-Y122 PolarHBondContact O-N 2.67Å; F115-K124 HydrophobicContact CD2-CB 4.31Å; F115-K124 HydrophobicContact CE2-CB 3.89Å; F115-K124 HydrophobicContact CE2-CG 3.96Å; F115-Y127 HydrophobicContact CB-CD1 3.71Å; F115-Y127 HydrophobicContact CB-CD2 3.36Å; F115-Y127 HydrophobicContact CB-CE1 4.16Å; F115-Y127 HydrophobicContact CB-CE2 3.84Å; F115-Y127 HydrophobicContact CB-CG 3.29Å; F115-Y127 AromaticContact CD1-CD1 3.62Å; F115-Y127 HydrophobicContact CD1-CD1 3.62Å; F115-Y127 AromaticContact CD1-CE1 3.71Å; F115-Y127 HydrophobicContact CD1-CE1 3.71Å; F115-Y127 HydrophobicContact CD1-CG 4.14Å; F115-Y127 HydrophobicContact CD2-CD1 4.42Å; F115-Y127 HydrophobicContact CD2-CG 4.42Å; F115-Y127 HydrophobicContact CE1-CD1 4.4Å; F115-Y127 AromaticContact CG-CD1 3.64Å; F115-Y127 HydrophobicContact CG-CD1 3.64Å; F115-Y127 HydrophobicContact CG-CD2 4.23Å; F115-Y127 HydrophobicContact CG-CE1 4.14Å; F115-Y127 AromaticContact CG-CG 3.7Å; F115-Y127 HydrophobicContact CG-CG 3.7Å; F115-Y128 HydrophobicContact CE1-CE2 4.39Å; F115-Y128 HydrophobicContact CE2-CE2 4.42Å; F115-Y128 HydrophobicContact CZ-CE2 4.06Å |
| 116 | A | 89.1 | Confident | 82.7 | Confident | 44 Ų | 44 | 66 Ų | 66 | 36% | 0.364 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 135.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | V90 S120 I121 | V90-A116 HydrophobicContact CG1-CB 4.44Å; V90-A116 HydrophobicContact CG2-CB 3.41Å; V90-A116 VanDerWaalsContact CG2-CB 3.41Å; A116-S120 WeakPolarHBondContact CA-O 3.3Å; A116-I121 HydrophobicContact CB-CD1 3.83Å |
| 117 | K | 86 | Confident | 82.7 | Confident | 70 Ų | 70 | 63.1 Ų | 63.1 | 30% | 0.304 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 136.7 | 178.5 | -177.4 | 173.7 | -177.6 | -60.6 | 0 | 109.8 | G119 S120 Y122 Y127 F131 | K117-G119 PolarHBondContact O-N 2.82Å; K117-G119 VanDerWaalsContact O-N 3.14Å; K117-S120 PolarHBondContact N-O 3.49Å; K117-S120 WeakPolarHBondContact O-CA 3.46Å; K117-S120 PolarHBondContact O-N 2.93Å; K117-Y122 HydrophobicContact CB-CE2 4.33Å; K117-Y127 HydrophobicContact CB-CE2 4.08Å; K117-Y127 HydrophobicContact CD-CE2 4.49Å; K117-F131 HydrophobicContact CD-CB 4.5Å; K117-F131 HydrophobicContact CD-CD1 3.7Å; K117-F131 HydrophobicContact CD-CD2 4Å; K117-F131 HydrophobicContact CD-CE1 3.82Å; K117-F131 HydrophobicContact CD-CE2 4.1Å; K117-F131 HydrophobicContact CD-CG 3.79Å; K117-F131 HydrophobicContact CD-CZ 4.01Å |
| 118 | D | 84.6 | Confident | 82.4 | Confident | 133 Ų | 133 | 63.7 Ų | 63.7 | 71% | 0.711 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 40 | 178.2 | -43.8 | -25.1 | 0 | 0 | 0 | 113 | S120 | D118-S120 PolarHBondContact O-N 3.48Š|
| 119 | G | 82.3 | Confident | 82.2 | Confident | 79 Ų | 79 | 69.3 Ų | 69.3 | 81% | 0.814 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | -8.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | K117 | K117-G119 PolarHBondContact O-N 2.82Å; K117-G119 VanDerWaalsContact O-N 3.14Å |
| 120 | S | 88.4 | Confident | 82.3 | Confident | 45 Ų | 45 | 71.2 Ų | 71.2 | 32% | 0.315 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 143.4 | -179.5 | -65 | 0 | 0 | 0 | 0 | 112.4 | A116 K117 D118 Y122 | A116-S120 WeakPolarHBondContact CA-O 3.3Å; K117-S120 PolarHBondContact N-O 3.49Å; K117-S120 WeakPolarHBondContact O-CA 3.46Å; K117-S120 PolarHBondContact O-N 2.93Å; D118-S120 PolarHBondContact O-N 3.48Å; S120-Y122 WeakPolarHBondContact O-CD2 3.42Å; S120-Y122 WeakPolarHBondContact O-CE2 3.39Å |
| 121 | I | 88.8 | Confident | 82.9 | Confident | 12 Ų | 12 | 69.4 Ų | 69.4 | 6% | 0.062 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 134.7 | 179.5 | -50.7 | -59.3 | 0 | 0 | 0 | 110.4 | V90 W94 L99 C102 L108 C114 A116 | V90-I121 HydrophobicContact CG2-CD1 3.62Å; W94-I121 HydrophobicContact CH2-CG1 4.17Å; W94-I121 HydrophobicContact CZ2-CG1 4.11Å; L99-I121 HydrophobicContact CD1-CG2 4.44Å; C102-I121 PolarHBondContact N-O 3.22Å; C102-I121 PolarHBondContact SG-O 2.9Å; L108-I121 HydrophobicContact CD1-CG2 3.62Å; C114-I121 HydrophobicContact CB-CG2 3.83Å; A116-I121 HydrophobicContact CB-CD1 3.83Å |
| 122 | Y | 88.6 | Confident | 83.5 | Confident | 20 Ų | 20 | 66.5 Ų | 66.5 | 8% | 0.078 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 146.9 | -177 | -62.9 | -92.5 | 0 | 0 | 0 | 110.9 | C102 E103 F115 K117 S120 D126 Y127 F131 | C102-Y122 WeakPolarHBondContact SG-CE1 3.11Å; E103-Y122 HydrophobicContact CG-CD1 3.84Å; E103-Y122 HydrophobicContact CG-CE1 3.65Å; E103-Y122 WeakPolarHBondContact OE1-CE1 3.33Å; F115-Y122 PolarHBondContact N-O 2.85Å; F115-Y122 PolarHBondContact O-N 2.67Å; K117-Y122 HydrophobicContact CB-CE2 4.33Å; S120-Y122 WeakPolarHBondContact O-CD2 3.42Å; S120-Y122 WeakPolarHBondContact O-CE2 3.39Å; Y122-D126 HydrophobicContact CD1-CB 4.44Å; Y122-Y127 HydrophobicContact CD2-CD2 4.22Å; Y122-Y127 HydrophobicContact CG-CD2 4.27Å; Y122-F131 AromaticContact CD1-CE2 3.99Å; Y122-F131 HydrophobicContact CD1-CE2 3.99Å; Y122-F131 AromaticContact CD2-CE2 3.99Å; Y122-F131 HydrophobicContact CD2-CE2 3.99Å; Y122-F131 AromaticContact CE1-CE2 3.64Å; Y122-F131 HydrophobicContact CE1-CE2 3.64Å; Y122-F131 HydrophobicContact CE1-CZ 4.01Å; Y122-F131 AromaticContact CE2-CE2 3.64Å; Y122-F131 HydrophobicContact CE2-CE2 3.64Å; Y122-F131 HydrophobicContact CE2-CZ 4.05Å; Y122-F131 HydrophobicContact CG-CE2 4.18Å; Y122-F131 AromaticContact CZ-CE2 3.49Å; Y122-F131 VanDerWaalsContact CZ-CE2 3.49Å; Y122-F131 AromaticContact CZ-CZ 3.63Å |
| 123 | C | 88.5 | Confident | 83.8 | Confident | 14 Ų | 14 | 67.7 Ų | 67.7 | 10% | 0.095 | 36% | 0.355 | C | S | . | . | trans | -69.4 | 164 | 160.9 | 73.5 | 0 | 0 | 0 | 0 | 109.4 | C101 L108 E125 D126 Y127 | C101-C123 HydrophobicContact CB-CB 4.1Å; C101-C123 PolarHBondContact SG-N 3.02Å; L108-C123 HydrophobicContact CD2-CB 3.58Å; C123-E125 VanDerWaalsContact C-N 3.33Å; C123-E125 PolarHBondContact O-N 3.46Å; C123-D126 PolarHBondContact SG-N 2.89Å; C123-D126 PolarHBondContact SG-OD2 2.8Å; C123-D126 VanDerWaalsContact SG-OD2 3.41Å; C123-Y127 VanDerWaalsContact O-CB 3.25Å; C123-Y127 WeakPolarHBondContact O-CB 3.34Å; C123-Y127 PolarHBondContact O-N 2.61Å | ||
| 124 | K | 84.4 | Confident | 84 | Confident | 103 Ų | 103 | 67.5 Ų | 67.5 | 45% | 0.448 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -52.4 | -49.9 | 176.9 | -177.8 | 179.4 | 173.7 | -173.5 | 0 | 112.2 | F115 Y127 Y128 | F115-K124 HydrophobicContact CD2-CB 4.31Å; F115-K124 HydrophobicContact CE2-CB 3.89Å; F115-K124 HydrophobicContact CE2-CG 3.96Å; K124-Y127 PolarHBondContact O-N 2.88Å; K124-Y128 HydrophobicContact CG-CD2 4.14Å; K124-Y128 HydrophobicContact CG-CE2 4.1Å; K124-Y128 WeakPolarHBondContact O-CD2 3.49Å; K124-Y128 PolarHBondContact O-N 2.87Å; K124-Y128 VanDerWaalsContact O-N 3.13Å |
| 125 | E | 84.3 | Confident | 84.2 | Confident | 97 Ų | 97 | 71.6 Ų | 71.6 | 45% | 0.453 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62 | -54.9 | -177.8 | 177 | 54.8 | -151.3 | 0 | 0 | 112.4 | C123 Y127 Y128 R129 | C123-E125 VanDerWaalsContact C-N 3.33Å; C123-E125 PolarHBondContact O-N 3.46Å; E125-Y127 VanDerWaalsContact C-N 3.29Å; E125-Y127 PolarHBondContact O-N 3.03Å; E125-Y128 PolarHBondContact O-N 2.76Å; E125-R129 WeakPolarHBondContact O-CB 3.46Å; E125-R129 PolarHBondContact O-N 3.08Å; E125-R129 IonicContact OE1-CZ 3.6Å; E125-R129 VanDerWaalsContact OE1-CZ 3.23Å; E125-R129 IonicContact OE1-NE 3.26Å; E125-R129 PolarHBondContact OE1-NE 3.42Å; E125-R129 IonicContact OE1-NH2 3.84Å; E125-R129 PolarHBondContact OE1-NH2 3.01Å |
| 126 | D | 85.9 | Confident | 84.4 | Confident | 20 Ų | 20 | 69.1 Ų | 69.1 | 11% | 0.107 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.5 | -34.9 | -179.1 | -76.2 | -40.3 | 0 | 0 | 0 | 112.3 | C101 E103 C104 Y122 C123 R129 R130 | C101-D126 PolarHBondContact SG-OD2 3.38Å; C101-D126 VanDerWaalsContact SG-OD2 3.32Å; E103-D126 HydrophobicContact CB-CB 4.13Å; E103-D126 WeakPolarHBondContact CB-OD2 3.21Å; E103-D126 HydrophobicContact CG-CB 4.23Å; C104-D126 VanDerWaalsContact CB-OD2 3.26Å; C104-D126 WeakPolarHBondContact CB-OD2 3.46Å; C104-D126 PolarHBondContact N-OD2 3.21Å; C104-D126 PolarHBondContact SG-OD2 3.16Å; Y122-D126 HydrophobicContact CD1-CB 4.44Å; C123-D126 PolarHBondContact SG-N 2.89Å; C123-D126 PolarHBondContact SG-OD2 2.8Å; C123-D126 VanDerWaalsContact SG-OD2 3.41Å; D126-R129 PolarHBondContact O-N 3.3Å; D126-R130 WeakPolarHBondContact O-CB 3.42Å; D126-R130 PolarHBondContact O-N 2.68Å |
| 127 | Y | 87 | Confident | 84.5 | Confident | 56 Ų | 56 | 68.6 Ų | 68.6 | 22% | 0.22 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.7 | -51.7 | 175.7 | -174.2 | -99.9 | 0 | 0 | 0 | 111.7 | F115 K117 Y122 C123 K124 E125 R129 R130 F131 | F115-Y127 HydrophobicContact CB-CD1 3.71Å; F115-Y127 HydrophobicContact CB-CD2 3.36Å; F115-Y127 HydrophobicContact CB-CE1 4.16Å; F115-Y127 HydrophobicContact CB-CE2 3.84Å; F115-Y127 HydrophobicContact CB-CG 3.29Å; F115-Y127 AromaticContact CD1-CD1 3.62Å; F115-Y127 HydrophobicContact CD1-CD1 3.62Å; F115-Y127 AromaticContact CD1-CE1 3.71Å; F115-Y127 HydrophobicContact CD1-CE1 3.71Å; F115-Y127 HydrophobicContact CD1-CG 4.14Å; F115-Y127 HydrophobicContact CD2-CD1 4.42Å; F115-Y127 HydrophobicContact CD2-CG 4.42Å; F115-Y127 HydrophobicContact CE1-CD1 4.4Å; F115-Y127 AromaticContact CG-CD1 3.64Å; F115-Y127 HydrophobicContact CG-CD1 3.64Å; F115-Y127 HydrophobicContact CG-CD2 4.23Å; F115-Y127 HydrophobicContact CG-CE1 4.14Å; F115-Y127 AromaticContact CG-CG 3.7Å; F115-Y127 HydrophobicContact CG-CG 3.7Å; K117-Y127 HydrophobicContact CB-CE2 4.08Å; K117-Y127 HydrophobicContact CD-CE2 4.49Å; Y122-Y127 HydrophobicContact CD2-CD2 4.22Å; Y122-Y127 HydrophobicContact CG-CD2 4.27Å; C123-Y127 VanDerWaalsContact O-CB 3.25Å; C123-Y127 WeakPolarHBondContact O-CB 3.34Å; C123-Y127 PolarHBondContact O-N 2.61Å; K124-Y127 PolarHBondContact O-N 2.88Å; E125-Y127 VanDerWaalsContact C-N 3.29Å; E125-Y127 PolarHBondContact O-N 3.03Å; Y127-R129 VanDerWaalsContact C-N 3.34Å; Y127-R130 PolarHBondContact O-N 2.83Å; Y127-F131 AromaticContact CD2-CD2 3.52Å; Y127-F131 HydrophobicContact CD2-CD2 3.52Å; Y127-F131 HydrophobicContact CD2-CE2 4.1Å; Y127-F131 HydrophobicContact CE2-CB 4.46Å; Y127-F131 AromaticContact CE2-CD2 3.71Å; Y127-F131 HydrophobicContact CE2-CD2 3.71Å; Y127-F131 HydrophobicContact CE2-CE2 4.4Å; Y127-F131 HydrophobicContact CE2-CG 4.41Å; Y127-F131 HydrophobicContact CG-CD2 4.2Å; Y127-F131 WeakPolarHBondContact O-CA 3.47Å; Y127-F131 WeakPolarHBondContact O-CB 3.46Å; Y127-F131 WeakPolarHBondContact O-CD2 3.49Å; Y127-F131 PolarHBondContact O-N 3.12Å |
| 128 | Y | 82.1 | Confident | 84.7 | Confident | 88 Ų | 88 | 68.9 Ų | 68.9 | 35% | 0.345 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.1 | -34.7 | 176 | -74.3 | -69.5 | 0 | 0 | 0 | 111.6 | F115 K124 E125 R130 S132 | F115-Y128 HydrophobicContact CE1-CE2 4.39Å; F115-Y128 HydrophobicContact CE2-CE2 4.42Å; F115-Y128 HydrophobicContact CZ-CE2 4.06Å; K124-Y128 HydrophobicContact CG-CD2 4.14Å; K124-Y128 HydrophobicContact CG-CE2 4.1Å; K124-Y128 WeakPolarHBondContact O-CD2 3.49Å; K124-Y128 PolarHBondContact O-N 2.87Å; K124-Y128 VanDerWaalsContact O-N 3.13Å; E125-Y128 PolarHBondContact O-N 2.76Å; Y128-R130 VanDerWaalsContact C-N 3.34Å; Y128-R130 PolarHBondContact O-N 2.86Å; Y128-S132 WeakPolarHBondContact O-CB 3.44Å; Y128-S132 PolarHBondContact O-N 3.41Å; Y128-S132 VanDerWaalsContact O-N 3.08Å; Y128-S132 PolarHBondContact O-OG 2.94Å |
| 129 | R | 79.9 | Confident | 85 | Confident | 124 Ų | 124 | 64.6 Ų | 64.6 | 47% | 0.468 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.6 | -32.4 | 177.9 | -174.5 | 177.1 | -69.8 | -146.4 | -1.3 | 113.5 | E125 D126 Y127 R135 | E125-R129 WeakPolarHBondContact O-CB 3.46Å; E125-R129 PolarHBondContact O-N 3.08Å; E125-R129 IonicContact OE1-CZ 3.6Å; E125-R129 VanDerWaalsContact OE1-CZ 3.23Å; E125-R129 IonicContact OE1-NE 3.26Å; E125-R129 PolarHBondContact OE1-NE 3.42Å; E125-R129 IonicContact OE1-NH2 3.84Å; E125-R129 PolarHBondContact OE1-NH2 3.01Å; D126-R129 PolarHBondContact O-N 3.3Å; Y127-R129 VanDerWaalsContact C-N 3.34Å; R129-R135 PolarHBondContact O-NH1 2.86Å; R129-R135 PolarHBondContact O-NH2 3.14Å |
| 130 | R | 78.1 | Confident | 85.3 | Confident | 141 Ų | 141 | 66.7 Ų | 66.7 | 53% | 0.532 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -98.3 | -37.3 | 178.8 | -68.1 | -167.5 | 172.7 | -148.6 | -1.7 | 114.5 | E103 D126 Y127 Y128 | E103-R130 IonicContact OE1-CZ 2.59Å; E103-R130 IonicContact OE1-NE 3.76Å; E103-R130 PolarHBondContact OE1-NE 3.38Å; E103-R130 IonicContact OE1-NH1 2.94Å; E103-R130 PolarHBondContact OE1-NH1 3Å; E103-R130 IonicContact OE1-NH2 3.33Å; E103-R130 IonicContact OE2-CZ 3.98Å; E103-R130 IonicContact OE2-NE 2.76Å; E103-R130 IonicContact OE2-NH1 2.93Å; E103-R130 PolarHBondContact OE2-NH1 3.32Å; E103-R130 VanDerWaalsContact OE2-NH1 3.08Å; E103-R130 IonicContact OE2-NH2 3.86Å; E103-R130 PolarHBondContact OE2-NH2 3.49Å; D126-R130 WeakPolarHBondContact O-CB 3.42Å; D126-R130 PolarHBondContact O-N 2.68Å; Y127-R130 PolarHBondContact O-N 2.83Å; Y128-R130 VanDerWaalsContact C-N 3.34Å; Y128-R130 PolarHBondContact O-N 2.86Å |
| 131 | F | 81.6 | Confident | 85.2 | Confident | 59 Ų | 59 | 69 Ų | 69 | 26% | 0.259 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -116 | 11.4 | -170.7 | -48.5 | -64.1 | 0 | 0 | 0 | 114.7 | K117 Y122 Y127 V133 | K117-F131 HydrophobicContact CD-CB 4.5Å; K117-F131 HydrophobicContact CD-CD1 3.7Å; K117-F131 HydrophobicContact CD-CD2 4Å; K117-F131 HydrophobicContact CD-CE1 3.82Å; K117-F131 HydrophobicContact CD-CE2 4.1Å; K117-F131 HydrophobicContact CD-CG 3.79Å; K117-F131 HydrophobicContact CD-CZ 4.01Å; Y122-F131 AromaticContact CD1-CE2 3.99Å; Y122-F131 HydrophobicContact CD1-CE2 3.99Å; Y122-F131 AromaticContact CD2-CE2 3.99Å; Y122-F131 HydrophobicContact CD2-CE2 3.99Å; Y122-F131 AromaticContact CE1-CE2 3.64Å; Y122-F131 HydrophobicContact CE1-CE2 3.64Å; Y122-F131 HydrophobicContact CE1-CZ 4.01Å; Y122-F131 AromaticContact CE2-CE2 3.64Å; Y122-F131 HydrophobicContact CE2-CE2 3.64Å; Y122-F131 HydrophobicContact CE2-CZ 4.05Å; Y122-F131 HydrophobicContact CG-CE2 4.18Å; Y122-F131 AromaticContact CZ-CE2 3.49Å; Y122-F131 VanDerWaalsContact CZ-CE2 3.49Å; Y122-F131 AromaticContact CZ-CZ 3.63Å; Y127-F131 AromaticContact CD2-CD2 3.52Å; Y127-F131 HydrophobicContact CD2-CD2 3.52Å; Y127-F131 HydrophobicContact CD2-CE2 4.1Å; Y127-F131 HydrophobicContact CE2-CB 4.46Å; Y127-F131 AromaticContact CE2-CD2 3.71Å; Y127-F131 HydrophobicContact CE2-CD2 3.71Å; Y127-F131 HydrophobicContact CE2-CE2 4.4Å; Y127-F131 HydrophobicContact CE2-CG 4.41Å; Y127-F131 HydrophobicContact CG-CD2 4.2Å; Y127-F131 WeakPolarHBondContact O-CA 3.47Å; Y127-F131 WeakPolarHBondContact O-CB 3.46Å; Y127-F131 WeakPolarHBondContact O-CD2 3.49Å; Y127-F131 PolarHBondContact O-N 3.12Å; F131-V133 PolarHBondContact O-N 3.31Å |
| 132 | S | 78.6 | Confident | 85 | Confident | 18 Ų | 18 | 69.4 Ų | 69.4 | 13% | 0.126 | 33% | 0.328 | C | S | . | . | trans | -61.1 | 120.1 | 165.2 | 47.2 | 0 | 0 | 0 | 0 | 110.7 | Y128 Q134 G142 | Y128-S132 WeakPolarHBondContact O-CB 3.44Å; Y128-S132 PolarHBondContact O-N 3.41Å; Y128-S132 VanDerWaalsContact O-N 3.08Å; Y128-S132 PolarHBondContact O-OG 2.94Å; S132-Q134 PolarHBondContact O-N 2.93Å; S132-Q134 VanDerWaalsContact O-N 3.16Å; S132-G142 WeakPolarHBondContact OG-CA 3.24Å | ||
| 133 | V | 73.3 | Confident | 85 | Confident | 134 Ų | 134 | 69.3 Ų | 69.3 | 81% | 0.812 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -66.1 | -15.1 | 178.3 | -173.3 | 0 | 0 | 0 | 0 | 111.9 | F131 | F131-V133 PolarHBondContact O-N 3.31Š|
| 134 | Q | 80.6 | Confident | 84.7 | Confident | 80 Ų | 80 | 70.7 Ų | 70.7 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | trans | -136.1 | 124.6 | -178.4 | -60.5 | -73.6 | -85.3 | 0 | 0 | 109.5 | S132 I143 V156 | S132-Q134 PolarHBondContact O-N 2.93Å; S132-Q134 VanDerWaalsContact O-N 3.16Å; Q134-I143 PolarHBondContact O-N 3.14Å; Q134-V156 VanDerWaalsContact OE1-CG2 3.29Å | ||
| 135 | R | 88.9 | Confident | 84.5 | Confident | 114 Ų | 114 | 70.9 Ų | 70.9 | 43% | 0.43 | 36% | 0.359 | S | S | . | . | B | Isolated β-bridge | trans | -113.3 | 147.7 | 176.6 | -52.2 | -177.3 | 79 | 98.1 | 3.8 | 109.2 | R129 A137 H140 L141 | R129-R135 PolarHBondContact O-NH1 2.86Å; R129-R135 PolarHBondContact O-NH2 3.14Å; R135-A137 PolarHBondContact O-N 3.22Å; R135-H140 VanDerWaalsContact CZ-O 3.25Å; R135-H140 PolarHBondContact NE-O 3.08Å; R135-H140 PolarHBondContact NH2-O 2.82Å; R135-L141 CarbonylContact C-O 3.56Å; R135-L141 WeakPolarHBondContact CA-O 3.44Å |
| 136 | C | 91.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.371 | C | S | . | . | trans | -68.1 | 123.3 | 176.1 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | R138 C139 H140 L141 I143 V156 H158 C161 | C136-R138 PolarHBondContact O-N 3.46Å; C136-R138 VanDerWaalsContact O-N 3.13Å; C136-C139 PolarHBondContact O-N 2.94Å; C136-H140 WeakPolarHBondContact O-CA 3.48Å; C136-H140 PolarHBondContact O-N 3.37Å; C136-L141 PolarHBondContact N-O 2.83Å; C136-I143 HydrophobicContact CB-CD1 4.28Å; C136-I143 HydrophobicContact CB-CG1 4.25Å; C136-V156 CarbonylContact C-O 3.57Å; C136-V156 WeakPolarHBondContact CA-O 3.46Å; C136-H158 VanDerWaalsContact CB-CE1 3.42Å; C136-H158 WeakPolarHBondContact CB-CE1 3.37Å; C136-C161 WeakPolarHBondContact SG-CB 3.25Å | ||
| 137 | A | 91.5 | Very high | 84.5 | Confident | 34 Ų | 34 | 73.8 Ų | 73.8 | 28% | 0.281 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -11.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R135 H140 V156 Y157 | R135-A137 PolarHBondContact O-N 3.22Å; A137-H140 PolarHBondContact O-CE1 3.13Å; A137-H140 VanDerWaalsContact O-CE1 3.31Å; A137-V156 PolarHBondContact N-O 3.43Å; A137-Y157 HydrophobicContact CB-CD1 4.29Å; A137-Y157 HydrophobicContact CB-CE1 3.7Å; A137-Y157 HydrophobicContact CB-CE2 4.48Å |
| 138 | R | 90.6 | Very high | 84.6 | Confident | 75 Ų | 75 | 77.6 Ų | 77.6 | 28% | 0.283 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -36.1 | 177.8 | -172.8 | 75.1 | 168.7 | 168.6 | -0.1 | 114.2 | C136 Y157 C161 T163 T165 N168 | C136-R138 PolarHBondContact O-N 3.46Å; C136-R138 VanDerWaalsContact O-N 3.13Å; R138-Y157 HydrophobicContact CB-CD1 4.04Å; R138-Y157 HydrophobicContact CB-CE1 4.42Å; R138-C161 HydrophobicContact CB-CB 3.87Å; R138-C161 HydrophobicContact CG-CB 4.12Å; R138-C161 WeakPolarHBondContact CG-O 3.18Å; R138-T163 PolarHBondContact NE-OG1 2.71Å; R138-T165 PolarHBondContact NH1-OG1 3.46Å; R138-N168 PolarHBondContact NH2-OD1 3.39Å |
| 139 | C | 90.8 | Very high | 85.1 | Confident | 44 Ų | 44 | 75.7 Ų | 75.7 | 30% | 0.297 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.4 | -5.7 | -172.6 | 66.1 | 0 | 0 | 0 | 0 | 114.2 | C136 L141 H158 C161 | C136-C139 PolarHBondContact O-N 2.94Å; C139-L141 HydrophobicContact CB-CD1 3.93Å; C139-L141 PolarHBondContact O-N 3.31Å; C139-H158 VanDerWaalsContact SG-CE1 3.54Å; C139-C161 VanDerWaalsContact SG-SG 3.63Å |
| 140 | H | 87.3 | Confident | 85.8 | Confident | 123 Ų | 123 | 71.2 Ų | 71.2 | 57% | 0.569 | 39% | 0.387 | S | S | * | . | trans | 60.5 | 9.1 | 175.4 | -43.3 | -60 | 0 | 0 | 0 | 116.4 | R135 C136 A137 | R135-H140 VanDerWaalsContact CZ-O 3.25Å; R135-H140 PolarHBondContact NE-O 3.08Å; R135-H140 PolarHBondContact NH2-O 2.82Å; C136-H140 WeakPolarHBondContact O-CA 3.48Å; C136-H140 PolarHBondContact O-N 3.37Å; A137-H140 PolarHBondContact O-CE1 3.13Å; A137-H140 VanDerWaalsContact O-CE1 3.31Å | ||
| 141 | L | 86.9 | Confident | 86.5 | Confident | 92 Ų | 92 | 71.9 Ų | 71.9 | 48% | 0.482 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 153.4 | 162.7 | -71.1 | 100.1 | 0 | 0 | 0 | 110.9 | R135 C136 C139 | R135-L141 CarbonylContact C-O 3.56Å; R135-L141 WeakPolarHBondContact CA-O 3.44Å; C136-L141 PolarHBondContact N-O 2.83Å; C139-L141 HydrophobicContact CB-CD1 3.93Å; C139-L141 PolarHBondContact O-N 3.31Å |
| 142 | G | 85.7 | Confident | 86.9 | Confident | 22 Ų | 22 | 69.3 Ų | 69.3 | 23% | 0.227 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -74.2 | 138.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S132 | S132-G142 WeakPolarHBondContact OG-CA 3.24Å |
| 143 | I | 87.3 | Confident | 87.3 | Confident | 17 Ų | 17 | 77.3 Ų | 77.3 | 9% | 0.087 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -93.6 | 135.8 | -178.5 | -44.1 | -179.2 | 0 | 0 | 0 | 110.3 | Q134 C136 E147 V149 V156 | Q134-I143 PolarHBondContact O-N 3.14Å; C136-I143 HydrophobicContact CB-CD1 4.28Å; C136-I143 HydrophobicContact CB-CG1 4.25Å; I143-E147 HydrophobicContact CG2-CB 4.4Å; I143-E147 HydrophobicContact CG2-CG 4.33Å; I143-V149 HydrophobicContact CD1-CG1 3.94Å; I143-V149 HydrophobicContact CG2-CG1 3.53Å; I143-V156 HydrophobicContact CD1-CB 3.96Å; I143-V156 HydrophobicContact CD1-CG1 3.52Å |
| 144 | S | 82.5 | Confident | 88.1 | Confident | 44 Ų | 44 | 78.6 Ų | 78.6 | 31% | 0.308 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -80 | 148.2 | 178.8 | 71.9 | 0 | 0 | 0 | 0 | 112.8 | S146 E147 | S144-S146 PolarHBondContact O-N 3.21Å; S144-E147 PolarHBondContact O-N 3.4Å; S144-E147 WeakPolarHBondContact OG-CB 3.49Å; S144-E147 PolarHBondContact OG-OE2 3.43Å |
| 145 | A | 81.2 | Confident | 88.6 | Confident | 106 Ų | 106 | 75.9 Ų | 75.9 | 88% | 0.876 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -15.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 146 | S | 80.8 | Confident | 88.8 | Confident | 101 Ų | 101 | 70.8 Ų | 70.8 | 71% | 0.706 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -8.2 | 177.5 | 49.4 | 0 | 0 | 0 | 0 | 113.7 | S144 | S144-S146 PolarHBondContact O-N 3.21Š|
| 147 | E | 88 | Confident | 88.9 | Confident | 78 Ų | 78 | 71 Ų | 71 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -85.8 | 144 | -178.5 | 175.8 | 174.1 | -171.6 | 0 | 0 | 111.9 | I143 S144 H158 | I143-E147 HydrophobicContact CG2-CB 4.4Å; I143-E147 HydrophobicContact CG2-CG 4.33Å; S144-E147 PolarHBondContact O-N 3.4Å; S144-E147 WeakPolarHBondContact OG-CB 3.49Å; S144-E147 PolarHBondContact OG-OE2 3.43Å; E147-H158 IonicContact OE1-CD2 3.08Å; E147-H158 PolarHBondContact OE1-CD2 2.78Å; E147-H158 IonicContact OE1-CG 3.09Å; E147-H158 IonicContact OE2-CD2 2.69Å |
| 148 | M | 90.1 | Very high | 89 | Confident | 135 Ų | 135 | 70.2 Ų | 70.2 | 67% | 0.665 | 37% | 0.371 | S | S | * | . | trans | -81.2 | 138.8 | 173.3 | -67.7 | -174 | -64.2 | 0 | 0 | 109.9 | L159 | M148-L159 HydrophobicContact CB-CD1 4.33Å; M148-L159 HydrophobicContact CB-CD2 4.46Å; M148-L159 WeakPolarHBondContact O-CD1 3.49Å | ||
| 149 | V | 93.3 | Very high | 89.1 | Confident | 48 Ų | 48 | 70.2 Ų | 70.2 | 29% | 0.291 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 149.5 | -177.3 | -67.7 | 0 | 0 | 0 | 0 | 112 | I143 R151 V156 Y157 | I143-V149 HydrophobicContact CD1-CG1 3.94Å; I143-V149 HydrophobicContact CG2-CG1 3.53Å; V149-R151 HydrophobicContact CG2-CG 4.19Å; V149-V156 HydrophobicContact CB-CG1 3.62Å; V149-V156 HydrophobicContact CG1-CG1 3.8Å; V149-V156 HydrophobicContact CG2-CG1 3.84Å; V149-Y157 CarbonylContact C-O 3.57Å; V149-Y157 WeakPolarHBondContact CA-O 3.02Å; V149-Y157 WeakPolarHBondContact CB-O 3.17Å |
| 150 | M | 92.8 | Very high | 89.3 | Confident | 31 Ų | 31 | 72.4 Ų | 72.4 | 15% | 0.153 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 137.8 | 158.9 | -158.8 | 67.5 | 75.5 | 0 | 0 | 108.9 | Y157 F162 | M150-Y157 PolarHBondContact N-O 3.45Å; M150-Y157 PolarHBondContact O-N 3.41Å; M150-F162 HydrophobicContact CB-CB 3.96Å; M150-F162 HydrophobicContact CB-CD1 4.26Å; M150-F162 HydrophobicContact CB-CD2 3.82Å; M150-F162 HydrophobicContact CB-CE2 4.39Å; M150-F162 HydrophobicContact CB-CG 3.75Å; M150-F162 HydrophobicContact CE-CD1 4.03Å; M150-F162 HydrophobicContact CE-CE1 4.44Å; M150-F162 HydrophobicContact CG-CB 4.3Å; M150-F162 HydrophobicContact CG-CD1 3.65Å; M150-F162 HydrophobicContact CG-CD2 3.67Å; M150-F162 HydrophobicContact CG-CE1 3.79Å; M150-F162 HydrophobicContact CG-CE2 3.79Å; M150-F162 HydrophobicContact CG-CG 3.59Å; M150-F162 HydrophobicContact CG-CZ 3.85Å |
| 151 | R | 92.9 | Very high | 89.6 | Confident | 154 Ų | 154 | 67.5 Ų | 67.5 | 58% | 0.581 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 128 | 173.8 | -70.7 | -176.9 | 172.9 | -89.4 | -3.5 | 108.7 | V149 V156 | V149-R151 HydrophobicContact CG2-CG 4.19Å; R151-V156 HydrophobicContact CG-CG1 4.14Å; R151-V156 HydrophobicContact CG-CG2 4.27Å; R151-V156 VanDerWaalsContact NH1-CG2 3.27Å |
| 152 | A | 90.6 | Very high | 90 | Very high | 6 Ų | 6 | 63.2 Ų | 63.2 | 5% | 0.05 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 114.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | D154 S155 Y157 F162 F177 M179 | A152-D154 PolarHBondContact O-N 2.95Å; A152-S155 PolarHBondContact N-O 2.68Å; A152-S155 PolarHBondContact O-N 3.13Å; A152-Y157 HydrophobicContact CB-CE2 4.27Å; A152-F162 HydrophobicContact CB-CE2 3.85Å; A152-F162 HydrophobicContact CB-CZ 4.17Å; A152-F177 HydrophobicContact CB-CE2 4.08Å; A152-F177 HydrophobicContact CB-CZ 4.08Å; A152-M179 HydrophobicContact CB-CE 3.54Å |
| 153 | R | 88.1 | Confident | 90.5 | Very high | 186 Ų | 186 | 63 Ų | 63 | 70% | 0.702 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | -133.9 | -160.3 | -59.9 | 179.9 | 176.2 | 142 | -0.5 | 109.2 | S155 M179 | R153-S155 VanDerWaalsContact C-N 3.3Å; R153-M179 HydrophobicContact CB-SD 4.49Å; R153-M179 HydrophobicContact CG-SD 4.32Å; R153-M179 PolarHBondContact NH1-O 2.96Å |
| 154 | D | 88.7 | Confident | 90.9 | Very high | 160 Ų | 160 | 62.2 Ų | 62.2 | 86% | 0.856 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -3.7 | -177.3 | -47.6 | -79.1 | 0 | 0 | 0 | 113.2 | A152 | A152-D154 PolarHBondContact O-N 2.95Š|
| 155 | S | 92.1 | Very high | 91.5 | Very high | 24 Ų | 24 | 62.3 Ų | 62.3 | 17% | 0.168 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 144.7 | 179.6 | -66.7 | 0 | 0 | 0 | 0 | 113 | A152 R153 Y157 | A152-S155 PolarHBondContact N-O 2.68Å; A152-S155 PolarHBondContact O-N 3.13Å; R153-S155 VanDerWaalsContact C-N 3.3Å; S155-Y157 VanDerWaalsContact CB-CE2 3.48Å; S155-Y157 WeakPolarHBondContact CB-OH 3.45Å |
| 156 | V | 92.7 | Very high | 92.1 | Very high | 6 Ų | 6 | 61.1 Ų | 61.1 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 143.8 | 179.6 | -164.4 | 0 | 0 | 0 | 0 | 110.4 | Q134 C136 A137 I143 V149 R151 | Q134-V156 VanDerWaalsContact OE1-CG2 3.29Å; C136-V156 CarbonylContact C-O 3.57Å; C136-V156 WeakPolarHBondContact CA-O 3.46Å; A137-V156 PolarHBondContact N-O 3.43Å; I143-V156 HydrophobicContact CD1-CB 3.96Å; I143-V156 HydrophobicContact CD1-CG1 3.52Å; V149-V156 HydrophobicContact CB-CG1 3.62Å; V149-V156 HydrophobicContact CG1-CG1 3.8Å; V149-V156 HydrophobicContact CG2-CG1 3.84Å; R151-V156 HydrophobicContact CG-CG1 4.14Å; R151-V156 HydrophobicContact CG-CG2 4.27Å; R151-V156 VanDerWaalsContact NH1-CG2 3.27Å |
| 157 | Y | 93.1 | Very high | 92.8 | Very high | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 144.6 | -175.1 | -53.8 | -100.5 | 0 | 0 | 0 | 110.4 | A137 R138 V149 M150 A152 S155 F162 M179 S182 V184 | A137-Y157 HydrophobicContact CB-CD1 4.29Å; A137-Y157 HydrophobicContact CB-CE1 3.7Å; A137-Y157 HydrophobicContact CB-CE2 4.48Å; R138-Y157 HydrophobicContact CB-CD1 4.04Å; R138-Y157 HydrophobicContact CB-CE1 4.42Å; V149-Y157 CarbonylContact C-O 3.57Å; V149-Y157 WeakPolarHBondContact CA-O 3.02Å; V149-Y157 WeakPolarHBondContact CB-O 3.17Å; M150-Y157 PolarHBondContact N-O 3.45Å; M150-Y157 PolarHBondContact O-N 3.41Å; A152-Y157 HydrophobicContact CB-CE2 4.27Å; S155-Y157 VanDerWaalsContact CB-CE2 3.48Å; S155-Y157 WeakPolarHBondContact CB-OH 3.45Å; Y157-F162 HydrophobicContact CD1-CD2 4.27Å; Y157-F162 AromaticContact CD2-CD2 3.72Å; Y157-F162 HydrophobicContact CD2-CD2 3.72Å; Y157-F162 HydrophobicContact CD2-CE2 4.01Å; Y157-F162 HydrophobicContact CE2-CD2 4.31Å; Y157-F162 HydrophobicContact CE2-CE2 4.23Å; Y157-F162 AromaticContact CG-CD2 3.74Å; Y157-F162 HydrophobicContact CG-CD2 3.74Å; Y157-F162 HydrophobicContact CG-CE2 4.45Å; Y157-M179 HydrophobicContact CE2-CE 4.09Å; Y157-M179 VanDerWaalsContact OH-CE 3.3Å; Y157-M179 WeakPolarHBondContact OH-CE 3.46Å; Y157-S182 PolarHBondContact OH-O 2.97Å; Y157-V184 HydrophobicContact CE1-CG2 4.09Å; Y157-V184 HydrophobicContact CE2-CG2 4.49Å |
| 158 | H | 93.6 | Very high | 93.1 | Very high | 18 Ų | 18 | 60.7 Ų | 60.7 | 8% | 0.083 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 152.3 | 160.2 | -44.9 | 128 | 0 | 0 | 0 | 109.5 | C136 C139 E147 S160 C161 F162 | C136-H158 VanDerWaalsContact CB-CE1 3.42Å; C136-H158 WeakPolarHBondContact CB-CE1 3.37Å; C139-H158 VanDerWaalsContact SG-CE1 3.54Å; E147-H158 IonicContact OE1-CD2 3.08Å; E147-H158 PolarHBondContact OE1-CD2 2.78Å; E147-H158 IonicContact OE1-CG 3.09Å; E147-H158 IonicContact OE2-CD2 2.69Å; H158-S160 VanDerWaalsContact C-N 3.27Å; H158-S160 PolarHBondContact O-N 3.17Å; H158-C161 HydrophobicContact CB-CB 3.97Å; H158-C161 PolarHBondContact ND1-SG 3.2Å; H158-C161 CarbonylContact O-C 3.32Å; H158-C161 WeakPolarHBondContact O-CA 3.16Å; H158-C161 WeakPolarHBondContact O-CB 3.19Å; H158-C161 PolarHBondContact O-N 2.83Å; H158-F162 PolarHBondContact O-N 3.49Å; H158-F162 VanDerWaalsContact O-N 3.12Å |
| 159 | L | 93.6 | Very high | 93.3 | Very high | 76 Ų | 76 | 59.4 Ų | 59.4 | 40% | 0.398 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -57.6 | -39.2 | 176.4 | -98.8 | 56.6 | 0 | 0 | 0 | 112.6 | M148 C161 F162 T170 | M148-L159 HydrophobicContact CB-CD1 4.33Å; M148-L159 HydrophobicContact CB-CD2 4.46Å; M148-L159 WeakPolarHBondContact O-CD1 3.49Å; L159-C161 VanDerWaalsContact C-N 3.25Å; L159-C161 PolarHBondContact O-N 3.01Å; L159-F162 PolarHBondContact O-N 3.37Å; L159-T170 WeakPolarHBondContact O-CG2 3.48Å |
| 160 | S | 93.9 | Very high | 93.3 | Very high | 90 Ų | 90 | 60.4 Ų | 60.4 | 63% | 0.629 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -68.3 | -21.9 | 174.2 | 50.8 | 0 | 0 | 0 | 0 | 113.8 | H158 | H158-S160 VanDerWaalsContact C-N 3.27Å; H158-S160 PolarHBondContact O-N 3.17Å |
| 161 | C | 94.1 | Very high | 93.3 | Very high | 19 Ų | 19 | 59.1 Ų | 59.1 | 13% | 0.128 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -95.5 | -8.4 | -178.6 | -69.7 | 0 | 0 | 0 | 0 | 113.6 | C136 R138 C139 H158 L159 T163 | C136-C161 WeakPolarHBondContact SG-CB 3.25Å; R138-C161 HydrophobicContact CB-CB 3.87Å; R138-C161 HydrophobicContact CG-CB 4.12Å; R138-C161 WeakPolarHBondContact CG-O 3.18Å; C139-C161 VanDerWaalsContact SG-SG 3.63Å; H158-C161 HydrophobicContact CB-CB 3.97Å; H158-C161 PolarHBondContact ND1-SG 3.2Å; H158-C161 CarbonylContact O-C 3.32Å; H158-C161 WeakPolarHBondContact O-CA 3.16Å; H158-C161 WeakPolarHBondContact O-CB 3.19Å; H158-C161 PolarHBondContact O-N 2.83Å; L159-C161 VanDerWaalsContact C-N 3.25Å; L159-C161 PolarHBondContact O-N 3.01Å; C161-T163 PolarHBondContact O-N 3.34Å |
| 162 | F | 95.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.009 | 31% | 0.305 | C | S | . | . | trans | -84.7 | 66.1 | 177.9 | -161.2 | -105.6 | 0 | 0 | 0 | 110.6 | M150 A152 Y157 H158 L159 L171 F177 V184 | M150-F162 HydrophobicContact CB-CB 3.96Å; M150-F162 HydrophobicContact CB-CD1 4.26Å; M150-F162 HydrophobicContact CB-CD2 3.82Å; M150-F162 HydrophobicContact CB-CE2 4.39Å; M150-F162 HydrophobicContact CB-CG 3.75Å; M150-F162 HydrophobicContact CE-CD1 4.03Å; M150-F162 HydrophobicContact CE-CE1 4.44Å; M150-F162 HydrophobicContact CG-CB 4.3Å; M150-F162 HydrophobicContact CG-CD1 3.65Å; M150-F162 HydrophobicContact CG-CD2 3.67Å; M150-F162 HydrophobicContact CG-CE1 3.79Å; M150-F162 HydrophobicContact CG-CE2 3.79Å; M150-F162 HydrophobicContact CG-CG 3.59Å; M150-F162 HydrophobicContact CG-CZ 3.85Å; A152-F162 HydrophobicContact CB-CE2 3.85Å; A152-F162 HydrophobicContact CB-CZ 4.17Å; Y157-F162 HydrophobicContact CD1-CD2 4.27Å; Y157-F162 AromaticContact CD2-CD2 3.72Å; Y157-F162 HydrophobicContact CD2-CD2 3.72Å; Y157-F162 HydrophobicContact CD2-CE2 4.01Å; Y157-F162 HydrophobicContact CE2-CD2 4.31Å; Y157-F162 HydrophobicContact CE2-CE2 4.23Å; Y157-F162 AromaticContact CG-CD2 3.74Å; Y157-F162 HydrophobicContact CG-CD2 3.74Å; Y157-F162 HydrophobicContact CG-CE2 4.45Å; H158-F162 PolarHBondContact O-N 3.49Å; H158-F162 VanDerWaalsContact O-N 3.12Å; L159-F162 PolarHBondContact O-N 3.37Å; F162-L171 HydrophobicContact CD1-CB 3.69Å; F162-L171 WeakPolarHBondContact CD1-O 3.26Å; F162-L171 HydrophobicContact CE1-CB 3.81Å; F162-L171 PolarHBondContact O-N 3.21Å; F162-F177 HydrophobicContact CE1-CD1 4.17Å; F162-F177 HydrophobicContact CE1-CE1 4.26Å; F162-F177 HydrophobicContact CE1-CG 4.31Å; F162-F177 HydrophobicContact CZ-CD1 4.19Å; F162-F177 AromaticContact CZ-CD2 3.94Å; F162-F177 HydrophobicContact CZ-CD2 3.94Å; F162-F177 HydrophobicContact CZ-CE1 4.01Å; F162-F177 AromaticContact CZ-CE2 3.77Å; F162-F177 HydrophobicContact CZ-CE2 3.77Å; F162-F177 HydrophobicContact CZ-CG 4.16Å; F162-F177 AromaticContact CZ-CZ 3.8Å; F162-F177 HydrophobicContact CZ-CZ 3.8Å; F162-V184 HydrophobicContact CD2-CG1 4.44Å; F162-V184 HydrophobicContact CD2-CG2 4.06Å; F162-V184 HydrophobicContact CE1-CG1 4.21Å; F162-V184 HydrophobicContact CE2-CB 4.46Å; F162-V184 HydrophobicContact CE2-CG1 3.98Å; F162-V184 HydrophobicContact CE2-CG2 3.63Å; F162-V184 HydrophobicContact CZ-CG1 3.85Å; F162-V184 HydrophobicContact CZ-CG2 4.28Å | ||
| 163 | T | 95.8 | Very high | 93.3 | Very high | 19 Ų | 19 | 61.8 Ų | 61.8 | 12% | 0.117 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -112.1 | 147.4 | -175.2 | 50.5 | 0 | 0 | 0 | 0 | 111.7 | R138 C161 T165 N168 K169 T170 | R138-T163 PolarHBondContact NE-OG1 2.71Å; C161-T163 PolarHBondContact O-N 3.34Å; T163-T165 PolarHBondContact O-N 3.34Å; T163-N168 WeakPolarHBondContact CB-O 3.45Å; T163-N168 VanDerWaalsContact CG2-O 3.3Å; T163-N168 WeakPolarHBondContact CG2-O 3.47Å; T163-K169 WeakPolarHBondContact CA-O 3.37Å; T163-T170 HydrophobicContact CG2-CG2 4.49Å |
| 164 | C | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | trans | -63.4 | 129.6 | 172.1 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | T166 C167 N168 K169 L171 V184 C186 | C164-T166 VanDerWaalsContact C-N 3.29Å; C164-T166 PolarHBondContact O-N 3.15Å; C164-C167 VanDerWaalsContact SG-SG 3.61Å; C164-N168 WeakPolarHBondContact O-CA 3.2Å; C164-N168 PolarHBondContact O-N 3.28Å; C164-K169 PolarHBondContact N-O 3.41Å; C164-L171 HydrophobicContact CB-CD1 4.34Å; C164-V184 CarbonylContact C-O 3.6Å; C164-C186 HydrophobicContact CB-CB 4.04Å; C164-C186 PolarHBondContact SG-N 3.04Å | ||
| 165 | T | 94.6 | Very high | 93.6 | Very high | 45 Ų | 45 | 50.8 Ų | 50.8 | 28% | 0.276 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -29.3 | -176.5 | -53.6 | 0 | 0 | 0 | 0 | 113.7 | R138 T163 L183 V184 Y185 | R138-T165 PolarHBondContact NH1-OG1 3.46Å; T163-T165 PolarHBondContact O-N 3.34Å; T165-L183 HydrophobicContact CG2-CD2 4.49Å; T165-V184 PolarHBondContact N-O 2.91Å; T165-V184 PolarHBondContact OG1-O 3.32Å; T165-Y185 HydrophobicContact CG2-CE1 4.45Å |
| 166 | T | 94 | Very high | 93.6 | Very high | 82 Ų | 82 | 53.4 Ų | 53.4 | 50% | 0.503 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -33.6 | -177.5 | -44 | 0 | 0 | 0 | 0 | 113.9 | C164 Y185 H189 | C164-T166 VanDerWaalsContact C-N 3.29Å; C164-T166 PolarHBondContact O-N 3.15Å; T166-Y185 WeakPolarHBondContact OG1-CD1 3.34Å; T166-H189 HydrophobicContact CG2-CB 4.3Å |
| 167 | C | 94.8 | Very high | 93.7 | Very high | 60 Ų | 60 | 54.6 Ų | 54.6 | 41% | 0.405 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.7 | 7.5 | -173.6 | 68.9 | 0 | 0 | 0 | 0 | 115 | C164 K169 H189 | C164-C167 VanDerWaalsContact SG-SG 3.61Å; C167-K169 PolarHBondContact O-N 3.32Å; C167-H189 PolarHBondContact SG-CE1 3.32Å |
| 168 | N | 94.6 | Very high | 93.6 | Very high | 109 Ų | 109 | 54.8 Ų | 54.8 | 58% | 0.583 | 33% | 0.329 | S | S | * | . | trans | 54.2 | 5.4 | -178.9 | -66.1 | -28.3 | 0 | 0 | 0 | 116.8 | R138 T163 C164 T170 | R138-N168 PolarHBondContact NH2-OD1 3.39Å; T163-N168 WeakPolarHBondContact CB-O 3.45Å; T163-N168 VanDerWaalsContact CG2-O 3.3Å; T163-N168 WeakPolarHBondContact CG2-O 3.47Å; C164-N168 WeakPolarHBondContact O-CA 3.2Å; C164-N168 PolarHBondContact O-N 3.28Å; N168-T170 PolarHBondContact O-N 3.07Å | ||
| 169 | K | 93.8 | Very high | 93.6 | Very high | 109 Ų | 109 | 54.6 Ų | 54.6 | 47% | 0.474 | 33% | 0.328 | S | S | . | . | trans | -57.3 | 122.8 | 174.3 | -170.2 | -160.5 | 173 | -161.2 | 0 | 110.2 | T163 C164 C167 D175 | T163-K169 WeakPolarHBondContact CA-O 3.37Å; C164-K169 PolarHBondContact N-O 3.41Å; C167-K169 PolarHBondContact O-N 3.32Å; K169-D175 IonicContact NZ-OD1 3.97Å; K169-D175 PolarHBondContact NZ-OD1 2.96Å | ||
| 170 | T | 94.1 | Very high | 93.4 | Very high | 69 Ų | 69 | 54.2 Ų | 54.2 | 42% | 0.423 | 32% | 0.324 | S | S | . | . | B | Isolated β-bridge | trans | -63.4 | 137 | 169.9 | -44.1 | 0 | 0 | 0 | 0 | 110.7 | L159 T163 N168 | L159-T170 WeakPolarHBondContact O-CG2 3.48Å; T163-T170 HydrophobicContact CG2-CG2 4.49Å; N168-T170 PolarHBondContact O-N 3.07Å |
| 171 | L | 93.1 | Very high | 93 | Very high | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | trans | -111.7 | 135.4 | -178.5 | -66.4 | 157.3 | 0 | 0 | 0 | 109.3 | F162 C164 D175 F177 V184 C186 | F162-L171 HydrophobicContact CD1-CB 3.69Å; F162-L171 WeakPolarHBondContact CD1-O 3.26Å; F162-L171 HydrophobicContact CE1-CB 3.81Å; F162-L171 PolarHBondContact O-N 3.21Å; C164-L171 HydrophobicContact CB-CD1 4.34Å; L171-D175 HydrophobicContact CB-CB 4.3Å; L171-D175 HydrophobicContact CD2-CB 3.76Å; L171-F177 HydrophobicContact CD1-CB 3.84Å; L171-F177 HydrophobicContact CD2-CB 4.47Å; L171-V184 HydrophobicContact CD1-CG1 3.68Å; L171-C186 HydrophobicContact CD1-CB 4.46Å; L171-C186 HydrophobicContact CD2-CB 3.88Å | ||
| 172 | T | 93.3 | Very high | 92.6 | Very high | 86 Ų | 86 | 58.2 Ų | 58.2 | 53% | 0.528 | 34% | 0.342 | S | S | . | . | trans | -121.3 | 172.6 | -171.3 | 68.3 | 0 | 0 | 0 | 0 | 111.8 | G174 D175 | T172-G174 PolarHBondContact O-N 3.23Å; T172-D175 WeakPolarHBondContact CB-OD2 3.47Å; T172-D175 PolarHBondContact N-OD2 3.05Å; T172-D175 PolarHBondContact O-N 3.03Å; T172-D175 PolarHBondContact OG1-OD2 3.12Å | ||
| 173 | T | 90.6 | Very high | 92.4 | Very high | 130 Ų | 130 | 61.6 Ų | 61.6 | 80% | 0.798 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 99.3 | 179.8 | -51.4 | 0 | 0 | 0 | 0 | 110.9 | ||
| 174 | G | 89.8 | Confident | 92.3 | Very high | 70 Ų | 70 | 60.9 Ų | 60.9 | 72% | 0.722 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 123.2 | -17.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T172 | T172-G174 PolarHBondContact O-N 3.23Š|
| 175 | D | 92.3 | Very high | 92.2 | Very high | 46 Ų | 46 | 62.2 Ų | 62.2 | 25% | 0.246 | 36% | 0.36 | C | S | . | . | trans | -68.1 | 146 | 170.1 | -82.3 | -79.5 | 0 | 0 | 0 | 111.1 | K169 L171 T172 | K169-D175 IonicContact NZ-OD1 3.97Å; K169-D175 PolarHBondContact NZ-OD1 2.96Å; L171-D175 HydrophobicContact CB-CB 4.3Å; L171-D175 HydrophobicContact CD2-CB 3.76Å; T172-D175 WeakPolarHBondContact CB-OD2 3.47Å; T172-D175 PolarHBondContact N-OD2 3.05Å; T172-D175 PolarHBondContact O-N 3.03Å; T172-D175 PolarHBondContact OG1-OD2 3.12Å | ||
| 176 | H | 92.6 | Very high | 92.3 | Very high | 79 Ų | 79 | 60.8 Ų | 60.8 | 37% | 0.366 | 35% | 0.352 | S | S | . | . | trans | -88.8 | 123.9 | 174.9 | -77.4 | -158.3 | 0 | 0 | 0 | 111.6 | R187 Y219 | H176-R187 HydrophobicContact CB-CB 3.99Å; H176-R187 PolarHBondContact O-N 3.46Å; H176-Y219 WeakPolarHBondContact CA-OH 3.47Å; H176-Y219 HydrophobicContact CB-CE1 4.31Å; H176-Y219 HydrophobicContact CB-CE2 4.13Å; H176-Y219 WeakPolarHBondContact CB-OH 3.44Å; H176-Y219 AromaticContact CE1-CE1 3.85Å; H176-Y219 AromaticContact CG-CE1 3.83Å; H176-Y219 AromaticContact CG-CZ 3.63Å; H176-Y219 AromaticContact ND1-CE1 3.53Å; H176-Y219 AromaticContact ND1-CZ 3.72Å | ||
| 177 | F | 94.1 | Very high | 92.2 | Very high | 31 Ų | 31 | 62.9 Ų | 62.9 | 14% | 0.136 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 160.5 | -176.3 | 80.1 | -91.1 | 0 | 0 | 0 | 112.1 | A152 F162 L171 V184 Y185 Y219 | A152-F177 HydrophobicContact CB-CE2 4.08Å; A152-F177 HydrophobicContact CB-CZ 4.08Å; F162-F177 HydrophobicContact CE1-CD1 4.17Å; F162-F177 HydrophobicContact CE1-CE1 4.26Å; F162-F177 HydrophobicContact CE1-CG 4.31Å; F162-F177 HydrophobicContact CZ-CD1 4.19Å; F162-F177 AromaticContact CZ-CD2 3.94Å; F162-F177 HydrophobicContact CZ-CD2 3.94Å; F162-F177 HydrophobicContact CZ-CE1 4.01Å; F162-F177 AromaticContact CZ-CE2 3.77Å; F162-F177 HydrophobicContact CZ-CE2 3.77Å; F162-F177 HydrophobicContact CZ-CG 4.16Å; F162-F177 AromaticContact CZ-CZ 3.8Å; F162-F177 HydrophobicContact CZ-CZ 3.8Å; L171-F177 HydrophobicContact CD1-CB 3.84Å; L171-F177 HydrophobicContact CD2-CB 4.47Å; F177-V184 HydrophobicContact CD2-CG1 4.17Å; F177-Y185 CarbonylContact C-O 3.49Å; F177-Y185 WeakPolarHBondContact CA-O 3.42Å; F177-Y185 VanDerWaalsContact CB-O 3.3Å; F177-Y185 WeakPolarHBondContact CB-O 3.38Å; F177-Y219 PolarHBondContact N-OH 3.3Å; F177-Y219 WeakPolarHBondContact O-CE2 3.44Å; F177-Y219 PolarHBondContact O-OH 3.27Å |
| 178 | G | 92.5 | Very high | 92.2 | Very high | 7 Ų | 7 | 64.6 Ų | 64.6 | 7% | 0.072 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 169.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y185 | G178-Y185 PolarHBondContact N-O 2.69Å; G178-Y185 PolarHBondContact O-N 2.98Å |
| 179 | M | 92.6 | Very high | 92.2 | Very high | 14 Ų | 14 | 61.9 Ų | 61.9 | 7% | 0.069 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 123.2 | -175.2 | 176 | -177.1 | -83.2 | 0 | 0 | 112.1 | A152 R153 Y157 L183 V184 | A152-M179 HydrophobicContact CB-CE 3.54Å; R153-M179 HydrophobicContact CB-SD 4.49Å; R153-M179 HydrophobicContact CG-SD 4.32Å; R153-M179 PolarHBondContact NH1-O 2.96Å; Y157-M179 HydrophobicContact CE2-CE 4.09Å; Y157-M179 VanDerWaalsContact OH-CE 3.3Å; Y157-M179 WeakPolarHBondContact OH-CE 3.46Å; M179-L183 VanDerWaalsContact CA-O 3.31Å; M179-L183 WeakPolarHBondContact CA-O 3.47Å; M179-V184 HydrophobicContact CE-CG2 3.81Å |
| 180 | K | 90 | Very high | 92.2 | Very high | 68 Ų | 68 | 58.5 Ų | 58.5 | 30% | 0.296 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 135.5 | 171.2 | -166.1 | 179.2 | -179.4 | 172.9 | 0 | 107.4 | S182 L183 Y185 F190 I193 E197 | K180-S182 VanDerWaalsContact C-N 3.29Å; K180-S182 PolarHBondContact O-N 3.22Å; K180-S182 VanDerWaalsContact O-N 3.13Å; K180-L183 PolarHBondContact N-O 3.02Å; K180-L183 WeakPolarHBondContact O-CA 3.48Å; K180-L183 WeakPolarHBondContact O-CB 3.25Å; K180-L183 PolarHBondContact O-N 3.46Å; K180-Y185 HydrophobicContact CB-CE2 4.44Å; K180-F190 HydrophobicContact CB-CE2 4.43Å; K180-I193 HydrophobicContact CD-CG2 4.49Å; K180-E197 IonicContact NZ-OE1 2.68Å; K180-E197 PolarHBondContact NZ-OE1 3.43Å; K180-E197 IonicContact NZ-OE2 3.23Å |
| 181 | D | 85.8 | Confident | 92 | Very high | 130 Ų | 130 | 59.1 Ų | 59.1 | 70% | 0.695 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 40.6 | 174.7 | -46.8 | -33.1 | 0 | 0 | 0 | 115.4 | L183 | D181-L183 PolarHBondContact O-N 3.08Å; D181-L183 VanDerWaalsContact O-N 3.07Å |
| 182 | S | 84.8 | Confident | 91.8 | Very high | 64 Ų | 64 | 63.1 Ų | 63.1 | 45% | 0.448 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 4.4 | -172.1 | -51.3 | 0 | 0 | 0 | 0 | 115.9 | Y157 K180 | Y157-S182 PolarHBondContact OH-O 2.97Å; K180-S182 VanDerWaalsContact C-N 3.29Å; K180-S182 PolarHBondContact O-N 3.22Å; K180-S182 VanDerWaalsContact O-N 3.13Å |
| 183 | L | 91.1 | Very high | 91.5 | Very high | 73 Ų | 73 | 61.8 Ų | 61.8 | 38% | 0.382 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 135.3 | 170.4 | -61.9 | 176.7 | 0 | 0 | 0 | 110.4 | T165 M179 K180 D181 Y185 | T165-L183 HydrophobicContact CG2-CD2 4.49Å; M179-L183 VanDerWaalsContact CA-O 3.31Å; M179-L183 WeakPolarHBondContact CA-O 3.47Å; K180-L183 PolarHBondContact N-O 3.02Å; K180-L183 WeakPolarHBondContact O-CA 3.48Å; K180-L183 WeakPolarHBondContact O-CB 3.25Å; K180-L183 PolarHBondContact O-N 3.46Å; D181-L183 PolarHBondContact O-N 3.08Å; D181-L183 VanDerWaalsContact O-N 3.07Å; L183-Y185 HydrophobicContact CB-CE2 3.6Å; L183-Y185 WeakPolarHBondContact CD1-OH 3.42Å; L183-Y185 WeakPolarHBondContact O-CD2 3.45Å; L183-Y185 WeakPolarHBondContact O-CE2 3.46Å |
| 184 | V | 94.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.024 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 139.4 | -179.7 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | Y157 F162 C164 T165 L171 F177 M179 | Y157-V184 HydrophobicContact CE1-CG2 4.09Å; Y157-V184 HydrophobicContact CE2-CG2 4.49Å; F162-V184 HydrophobicContact CD2-CG1 4.44Å; F162-V184 HydrophobicContact CD2-CG2 4.06Å; F162-V184 HydrophobicContact CE1-CG1 4.21Å; F162-V184 HydrophobicContact CE2-CB 4.46Å; F162-V184 HydrophobicContact CE2-CG1 3.98Å; F162-V184 HydrophobicContact CE2-CG2 3.63Å; F162-V184 HydrophobicContact CZ-CG1 3.85Å; F162-V184 HydrophobicContact CZ-CG2 4.28Å; C164-V184 CarbonylContact C-O 3.6Å; T165-V184 PolarHBondContact N-O 2.91Å; T165-V184 PolarHBondContact OG1-O 3.32Å; L171-V184 HydrophobicContact CD1-CG1 3.68Å; F177-V184 HydrophobicContact CD2-CG1 4.17Å; M179-V184 HydrophobicContact CE-CG2 3.81Å |
| 185 | Y | 94.5 | Very high | 90.6 | Very high | 27 Ų | 27 | 61.3 Ų | 61.3 | 11% | 0.106 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 142.1 | 178.3 | -59.6 | -89.3 | 0 | 0 | 0 | 110 | T165 T166 F177 G178 K180 L183 F190 I193 | T165-Y185 HydrophobicContact CG2-CE1 4.45Å; T166-Y185 WeakPolarHBondContact OG1-CD1 3.34Å; F177-Y185 CarbonylContact C-O 3.49Å; F177-Y185 WeakPolarHBondContact CA-O 3.42Å; F177-Y185 VanDerWaalsContact CB-O 3.3Å; F177-Y185 WeakPolarHBondContact CB-O 3.38Å; G178-Y185 PolarHBondContact N-O 2.69Å; G178-Y185 PolarHBondContact O-N 2.98Å; K180-Y185 HydrophobicContact CB-CE2 4.44Å; L183-Y185 HydrophobicContact CB-CE2 3.6Å; L183-Y185 WeakPolarHBondContact CD1-OH 3.42Å; L183-Y185 WeakPolarHBondContact O-CD2 3.45Å; L183-Y185 WeakPolarHBondContact O-CE2 3.46Å; Y185-F190 HydrophobicContact CD2-CD2 4.24Å; Y185-I193 HydrophobicContact CD1-CD1 3.53Å; Y185-I193 HydrophobicContact CE1-CD1 3.29Å; Y185-I193 HydrophobicContact CG-CD1 4.26Å |
| 186 | C | 95.2 | Very high | 89.1 | Confident | 16 Ų | 16 | 62.3 Ų | 62.3 | 11% | 0.108 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 159.4 | 167.5 | 70.4 | 0 | 0 | 0 | 0 | 109.7 | C164 L171 V188 H189 F190 | C164-C186 HydrophobicContact CB-CB 4.04Å; C164-C186 PolarHBondContact SG-N 3.04Å; L171-C186 HydrophobicContact CD1-CB 4.46Å; L171-C186 HydrophobicContact CD2-CB 3.88Å; C186-V188 VanDerWaalsContact C-N 3.3Å; C186-V188 PolarHBondContact O-N 3.47Å; C186-V188 VanDerWaalsContact O-N 3.13Å; C186-H189 PolarHBondContact O-N 2.79Å; C186-H189 PolarHBondContact SG-ND1 3.36Å; C186-F190 PolarHBondContact O-N 3.22Å |
| 187 | R | 92.9 | Very high | 87.2 | Confident | 125 Ų | 125 | 64.9 Ų | 64.9 | 47% | 0.472 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -41.2 | -54 | -177.8 | 179.8 | -176.8 | 168 | 173.9 | 1.2 | 113.5 | H176 H189 F190 E191 Y219 | H176-R187 HydrophobicContact CB-CB 3.99Å; H176-R187 PolarHBondContact O-N 3.46Å; R187-H189 PolarHBondContact O-N 3.37Å; R187-F190 PolarHBondContact O-N 3.49Å; R187-E191 IonicContact NE-OE2 3.13Å; R187-E191 PolarHBondContact NE-OE2 2.96Å; R187-E191 IonicContact NH2-OE2 2.95Å; R187-E191 VanDerWaalsContact O-CB 3.28Å; R187-E191 WeakPolarHBondContact O-CB 3.42Å; R187-E191 PolarHBondContact O-N 3.13Å; R187-Y219 HydrophobicContact CG-CE2 4.49Å |
| 188 | V | 94 | Very high | 84.7 | Confident | 96 Ų | 96 | 72.8 Ų | 72.8 | 58% | 0.582 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -57.6 | -54.5 | -174.6 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | C186 F190 E191 T192 | C186-V188 VanDerWaalsContact C-N 3.3Å; C186-V188 PolarHBondContact O-N 3.47Å; C186-V188 VanDerWaalsContact O-N 3.13Å; V188-F190 VanDerWaalsContact C-N 3.34Å; V188-F190 PolarHBondContact O-N 3.06Å; V188-E191 WeakPolarHBondContact O-CB 3.48Å; V188-E191 PolarHBondContact O-N 3.46Å; V188-T192 PolarHBondContact O-N 3.45Å; V188-T192 PolarHBondContact O-OG1 3.04Å; V188-T192 VanDerWaalsContact O-OG1 3.05Å |
| 189 | H | 94.4 | Very high | 82.6 | Confident | 52 Ų | 52 | 78.4 Ų | 78.4 | 24% | 0.241 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -70.9 | -29.5 | -178.6 | -60 | 121.1 | 0 | 0 | 0 | 113 | T166 C167 C186 R187 E191 I193 | T166-H189 HydrophobicContact CG2-CB 4.3Å; C167-H189 PolarHBondContact SG-CE1 3.32Å; C186-H189 PolarHBondContact O-N 2.79Å; C186-H189 PolarHBondContact SG-ND1 3.36Å; R187-H189 PolarHBondContact O-N 3.37Å; H189-E191 VanDerWaalsContact C-N 3.34Å; H189-I193 WeakPolarHBondContact O-CB 3.38Å; H189-I193 WeakPolarHBondContact O-CD1 3.42Å; H189-I193 WeakPolarHBondContact O-CG1 3.43Å; H189-I193 PolarHBondContact O-N 3.36Å |
| 190 | F | 93.5 | Very high | 80.5 | Confident | 38 Ų | 38 | 85.8 Ų | 85.8 | 17% | 0.167 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 171.8 | -170.4 | -107.6 | 0 | 0 | 0 | 111.6 | K180 Y185 C186 R187 V188 I193 A194 | K180-F190 HydrophobicContact CB-CE2 4.43Å; Y185-F190 HydrophobicContact CD2-CD2 4.24Å; C186-F190 PolarHBondContact O-N 3.22Å; R187-F190 PolarHBondContact O-N 3.49Å; V188-F190 VanDerWaalsContact C-N 3.34Å; V188-F190 PolarHBondContact O-N 3.06Å; F190-I193 PolarHBondContact O-N 2.93Å; F190-A194 VanDerWaalsContact O-CB 3.24Å; F190-A194 WeakPolarHBondContact O-CB 3.38Å; F190-A194 PolarHBondContact O-N 3.49Å |
| 191 | E | 90.9 | Very high | 78.8 | Confident | 83 Ų | 83 | 88.4 Ų | 88.4 | 39% | 0.388 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 177.5 | -167.8 | 158.7 | -175 | 0 | 0 | 110.9 | R187 V188 H189 I193 A194 Q195 | R187-E191 IonicContact NE-OE2 3.13Å; R187-E191 PolarHBondContact NE-OE2 2.96Å; R187-E191 IonicContact NH2-OE2 2.95Å; R187-E191 VanDerWaalsContact O-CB 3.28Å; R187-E191 WeakPolarHBondContact O-CB 3.42Å; R187-E191 PolarHBondContact O-N 3.13Å; V188-E191 WeakPolarHBondContact O-CB 3.48Å; V188-E191 PolarHBondContact O-N 3.46Å; H189-E191 VanDerWaalsContact C-N 3.34Å; E191-I193 PolarHBondContact O-N 2.85Å; E191-A194 PolarHBondContact O-N 3.27Å; E191-Q195 VanDerWaalsContact O-CG 3.28Å; E191-Q195 WeakPolarHBondContact O-CG 3.45Å; E191-Q195 PolarHBondContact O-N 3.14Å |
| 192 | T | 89.6 | Confident | 77.1 | Confident | 87 Ų | 87 | 85.7 Ų | 85.7 | 53% | 0.534 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.7 | -45 | 171.2 | -46.4 | 0 | 0 | 0 | 0 | 112.8 | V188 G196 | V188-T192 PolarHBondContact O-N 3.45Å; V188-T192 PolarHBondContact O-OG1 3.04Å; V188-T192 VanDerWaalsContact O-OG1 3.05Å; T192-G196 PolarHBondContact O-N 3.14Å |
| 193 | I | 86.3 | Confident | 75.1 | Confident | 57 Ų | 57 | 90.7 Ų | 90.7 | 29% | 0.292 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.9 | -35.3 | -178.4 | -68.6 | 165.4 | 0 | 0 | 0 | 111.5 | K180 Y185 H189 F190 E191 G196 | K180-I193 HydrophobicContact CD-CG2 4.49Å; Y185-I193 HydrophobicContact CD1-CD1 3.53Å; Y185-I193 HydrophobicContact CE1-CD1 3.29Å; Y185-I193 HydrophobicContact CG-CD1 4.26Å; H189-I193 WeakPolarHBondContact O-CB 3.38Å; H189-I193 WeakPolarHBondContact O-CD1 3.42Å; H189-I193 WeakPolarHBondContact O-CG1 3.43Å; H189-I193 PolarHBondContact O-N 3.36Å; F190-I193 PolarHBondContact O-N 2.93Å; E191-I193 PolarHBondContact O-N 2.85Å; I193-G196 PolarHBondContact O-N 3.42Å |
| 194 | A | 84.4 | Confident | 73.1 | Confident | 55 Ų | 55 | 93 Ų | 93 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.5 | -29.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F190 E191 G196 | F190-A194 VanDerWaalsContact O-CB 3.24Å; F190-A194 WeakPolarHBondContact O-CB 3.38Å; F190-A194 PolarHBondContact O-N 3.49Å; E191-A194 PolarHBondContact O-N 3.27Å; A194-G196 VanDerWaalsContact C-N 3.3Å |
| 195 | Q | 76.6 | Confident | 70.9 | Confident | 135 Ų | 135 | 102.4 Ų | 102.4 | 63% | 0.631 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -75.3 | -18 | 174.2 | -71.5 | 171 | 7.4 | 0 | 0 | 112.9 | E191 E197 | E191-Q195 VanDerWaalsContact O-CG 3.28Å; E191-Q195 WeakPolarHBondContact O-CG 3.45Å; E191-Q195 PolarHBondContact O-N 3.14Å; Q195-E197 VanDerWaalsContact C-N 3.26Å; Q195-E197 PolarHBondContact O-N 2.9Å |
| 196 | G | 60.9 | Low | 68.8 | Low | 67 Ų | 67 | 106 Ų | 106 | 69% | 0.691 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -6.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | T192 I193 A194 | T192-G196 PolarHBondContact O-N 3.14Å; I193-G196 PolarHBondContact O-N 3.42Å; A194-G196 VanDerWaalsContact C-N 3.3Å |
| 197 | E | 52.2 | Low | 66.3 | Low | 133 Ų | 133 | 112.6 Ų | 112.6 | 62% | 0.621 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -0.1 | -177.5 | -77.6 | 174.7 | -179.5 | 0 | 0 | 114.5 | K180 Q195 | K180-E197 IonicContact NZ-OE1 2.68Å; K180-E197 PolarHBondContact NZ-OE1 3.43Å; K180-E197 IonicContact NZ-OE2 3.23Å; Q195-E197 VanDerWaalsContact C-N 3.26Å; Q195-E197 PolarHBondContact O-N 2.9Å |
| 198 | Y | 41.2 | Very low | 64.1 | Low | 197 Ų | 197 | 113.8 Ų | 113.8 | 77% | 0.773 | 62% | 0.622 | S | S | * | * | trans | -143.7 | 111.6 | 173.7 | -98 | -89.1 | 0 | 0 | 0 | 113.4 | H200 | Y198-H200 PolarHBondContact O-N 2.85Š| ||
| 199 | P | 49.6 | Very low | 62 | Low | 125 Ų | 125 | 113.9 Ų | 113.9 | 81% | 0.812 | 63% | 0.633 | S | S | * | * | trans | -83.2 | 95.3 | 171.1 | 32.7 | -32 | 0 | 0 | 0 | 111.1 | ||||
| 200 | H | 48.8 | Very low | 59.7 | Low | 169 Ų | 169 | 115.6 Ų | 115.6 | 78% | 0.782 | 66% | 0.656 | S | S | * | * | trans | -126.1 | 121.7 | 162.4 | -101 | -72.1 | 0 | 0 | 0 | 110.4 | Y198 | Y198-H200 PolarHBondContact O-N 2.85Š| ||
| 201 | P | 53.3 | Low | 57.2 | Low | 124 Ų | 124 | 123.1 Ų | 123.1 | 81% | 0.805 | 69% | 0.689 | S | S | * | * | trans | -80.3 | 131.8 | -174.2 | 30.9 | -34.1 | 0 | 0 | 0 | 112.4 | ||||
| 202 | G | 51.2 | Low | 55.2 | Low | 73 Ų | 73 | 123.7 Ų | 123.7 | 75% | 0.753 | 72% | 0.717 | S | S | * | * | trans | 68.7 | 88.2 | 152.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 203 | L | 42 | Very low | 53 | Low | 168 Ų | 168 | 122.7 Ų | 122.7 | 88% | 0.88 | 72% | 0.724 | S | S | * | * | trans | -128.1 | 133.5 | 145.8 | -75.4 | 179.4 | 0 | 0 | 0 | 110.1 | ||||
| 204 | N | 49 | Very low | 51.1 | Low | 121 Ų | 121 | 124.2 Ų | 124.2 | 65% | 0.647 | 75% | 0.754 | S | S | * | * | trans | -80.4 | 119.1 | -173.8 | -173.2 | 6.7 | 0 | 0 | 0 | 110.6 | S206 | N204-S206 PolarHBondContact O-N 2.83Å; N204-S206 VanDerWaalsContact O-N 3.15Å | ||
| 205 | Y | 47.6 | Very low | 49 | Very low | 203 Ų | 203 | 129.3 Ų | 129.3 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -3.9 | -167.9 | -113.7 | -86.8 | 0 | 0 | 0 | 115.4 | ||
| 206 | S | 51.6 | Low | 47.8 | Very low | 102 Ų | 102 | 127.9 Ų | 127.9 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -20.4 | -177.9 | -63.4 | 0 | 0 | 0 | 0 | 115.2 | N204 | N204-S206 PolarHBondContact O-N 2.83Å; N204-S206 VanDerWaalsContact O-N 3.15Å |
| 207 | E | 41.9 | Very low | 47.1 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -96.3 | -20.7 | -173.8 | -90.3 | 175.2 | 89.7 | 0 | 0 | 115.1 | A209 | E207-A209 VanDerWaalsContact C-N 3.25Å; E207-A209 PolarHBondContact O-N 3.39Å |
| 208 | L | 46.5 | Very low | 47.2 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -81.4 | 3.6 | -172.1 | -128.2 | 73.2 | 0 | 0 | 0 | 115.2 | A210 | L208-A210 VanDerWaalsContact C-N 3.28Å; L208-A210 PolarHBondContact O-N 3.36Å |
| 209 | A | 50.5 | Low | 47.2 | Very low | 98 Ų | 98 | 124.2 Ų | 124.2 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -75.8 | -11.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E207 | E207-A209 VanDerWaalsContact C-N 3.25Å; E207-A209 PolarHBondContact O-N 3.39Å |
| 210 | A | 46.8 | Very low | 47.5 | Very low | 88 Ų | 88 | 125 Ų | 125 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -90.8 | -8.8 | -165.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | L208 | L208-A210 VanDerWaalsContact C-N 3.28Å; L208-A210 PolarHBondContact O-N 3.36Å |
| 211 | K | 41.3 | Very low | 47.8 | Very low | 196 Ų | 196 | 121.9 Ų | 121.9 | 85% | 0.852 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -135.4 | 127.5 | 178.6 | -70.5 | -169.8 | 176.4 | 180 | 0 | 112.3 | G213 | K211-G213 PolarHBondContact O-N 3.35Š|
| 212 | G | 47.8 | Very low | 47.3 | Very low | 94 Ų | 94 | 117.9 Ų | 117.9 | 97% | 0.969 | 73% | 0.728 | S | S | * | * | trans | -72.4 | 123.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 213 | G | 42.6 | Very low | 46.7 | Very low | 67 Ų | 67 | 120.3 Ų | 120.3 | 69% | 0.691 | 73% | 0.729 | S | S | * | * | trans | -167.8 | 109.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | K211 L215 | K211-G213 PolarHBondContact O-N 3.35Å; G213-L215 PolarHBondContact O-N 3.38Å | ||
| 214 | G | 47.6 | Very low | 46.4 | Very low | 89 Ų | 89 | 115.8 Ų | 115.8 | 92% | 0.918 | 72% | 0.722 | S | S | * | * | trans | -75.1 | 95.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 215 | L | 40.3 | Very low | 46 | Very low | 162 Ų | 162 | 117.2 Ų | 117.2 | 85% | 0.848 | 74% | 0.735 | S | S | * | * | trans | -86.8 | 121.7 | 164.2 | -63.9 | -179.6 | 0 | 0 | 0 | 110 | G213 L217 | G213-L215 PolarHBondContact O-N 3.38Å; L215-L217 PolarHBondContact O-N 2.86Å | ||
| 216 | A | 51.6 | Low | 45.6 | Very low | 104 Ų | 104 | 111.9 Ų | 111.9 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | trans | -80.3 | 98.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 217 | L | 46.5 | Very low | 45.2 | Very low | 141 Ų | 141 | 116 Ų | 116 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | trans | -59.6 | 141.2 | 169 | -70.2 | 171.3 | 0 | 0 | 0 | 110.5 | L215 Y219 | L215-L217 PolarHBondContact O-N 2.86Å; L217-Y219 PolarHBondContact O-N 2.82Å | ||
| 218 | P | 52.6 | Low | 45 | Very low | 112 Ų | 112 | 118.9 Ų | 118.9 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -74.3 | 20.7 | -177.7 | 32.6 | -37.7 | 0 | 0 | 0 | 113.7 | F220 | P218-F220 PolarHBondContact O-N 2.93Š| ||
| 219 | Y | 43 | Very low | 44.4 | Very low | 67 Ų | 67 | 115.1 Ų | 115.1 | 26% | 0.263 | 75% | 0.749 | S | S | . | * | trans | -82.9 | 108.4 | -172.1 | -172.8 | -90.1 | 0 | 0 | 0 | 111.5 | H176 F177 R187 L217 N221 | H176-Y219 WeakPolarHBondContact CA-OH 3.47Å; H176-Y219 HydrophobicContact CB-CE1 4.31Å; H176-Y219 HydrophobicContact CB-CE2 4.13Å; H176-Y219 WeakPolarHBondContact CB-OH 3.44Å; H176-Y219 AromaticContact CE1-CE1 3.85Å; H176-Y219 AromaticContact CG-CE1 3.83Å; H176-Y219 AromaticContact CG-CZ 3.63Å; H176-Y219 AromaticContact ND1-CE1 3.53Å; H176-Y219 AromaticContact ND1-CZ 3.72Å; F177-Y219 PolarHBondContact N-OH 3.3Å; F177-Y219 WeakPolarHBondContact O-CE2 3.44Å; F177-Y219 PolarHBondContact O-OH 3.27Å; R187-Y219 HydrophobicContact CG-CE2 4.49Å; L217-Y219 PolarHBondContact O-N 2.82Å; Y219-N221 PolarHBondContact O-N 3.31Å | ||
| 220 | F | 55.7 | Low | 43.7 | Very low | 141 Ų | 141 | 121.7 Ų | 121.7 | 62% | 0.618 | 75% | 0.753 | S | S | * | * | trans | -82.4 | 114.1 | -174 | -174.4 | -100.3 | 0 | 0 | 0 | 112.7 | P218 G222 | P218-F220 PolarHBondContact O-N 2.93Å; F220-G222 PolarHBondContact O-N 3.43Å | ||
| 221 | N | 54 | Low | 43.6 | Very low | 105 Ų | 105 | 124 Ų | 124 | 56% | 0.561 | 76% | 0.76 | S | S | * | * | trans | -82.8 | 104.5 | 175.2 | -165 | 84.7 | 0 | 0 | 0 | 111.3 | Y219 T223 | Y219-N221 PolarHBondContact O-N 3.31Å; N221-T223 PolarHBondContact O-N 2.92Å | ||
| 222 | G | 43.8 | Very low | 43.4 | Very low | 40 Ų | 40 | 126.3 Ų | 126.3 | 41% | 0.412 | 76% | 0.763 | S | S | . | * | S | Bend | trans | -72.3 | 81 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | F220 | F220-G222 PolarHBondContact O-N 3.43Š|
| 223 | T | 38.7 | Very low | 42.8 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | trans | -173.1 | 128 | 146.7 | 12 | 0 | 0 | 0 | 0 | 111.4 | N221 | N221-T223 PolarHBondContact O-N 2.92Š| ||
| 224 | G | 34.5 | Very low | 42.3 | Very low | 72 Ų | 72 | 139.7 Ų | 139.7 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | -179.6 | 62 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | A226 | G224-A226 PolarHBondContact O-N 2.77Š| ||
| 225 | T | 42.1 | Very low | 41.7 | Very low | 151 Ų | 151 | 144.6 Ų | 144.6 | 93% | 0.926 | 77% | 0.766 | S | S | * | * | trans | -75.1 | 71.1 | 177 | 53.4 | 0 | 0 | 0 | 0 | 112 | Q227 | T225-Q227 PolarHBondContact O-N 3.12Š| ||
| 226 | A | 39.3 | Very low | 41.3 | Very low | 91 Ų | 91 | 141 Ų | 141 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | trans | -86.7 | 102 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | G224 K228 | G224-A226 PolarHBondContact O-N 2.77Å; A226-K228 PolarHBondContact O-N 3.36Å | ||
| 227 | Q | 41.5 | Very low | 40.9 | Very low | 190 Ų | 190 | 142 Ų | 142 | 89% | 0.888 | 75% | 0.752 | S | S | * | * | trans | -62.1 | 130 | 167.5 | -78 | -68.4 | -12.8 | 0 | 0 | 110 | T225 G229 | T225-Q227 PolarHBondContact O-N 3.12Å; Q227-G229 PolarHBondContact O-N 3.16Å | ||
| 228 | K | 38.2 | Very low | 40.3 | Very low | 214 Ų | 214 | 140.2 Ų | 140.2 | 93% | 0.93 | 76% | 0.757 | S | S | * | * | trans | -74.1 | 118 | -177.1 | -67 | 179.6 | -179.7 | 176.6 | 0 | 110.1 | A226 | A226-K228 PolarHBondContact O-N 3.36Š| ||
| 229 | G | 33.9 | Very low | 39.6 | Very low | 71 Ų | 71 | 144.3 Ų | 144.3 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | trans | -136.7 | 113.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q227 | Q227-G229 PolarHBondContact O-N 3.16Š| ||
| 230 | R | 36 | Very low | 39.2 | Very low | 237 Ų | 237 | 144.3 Ų | 144.3 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | trans | 32.5 | 119.1 | 165.1 | -159.7 | 171.8 | -171.6 | 170.5 | 2.9 | 118.3 | R232 | R230-R232 PolarHBondContact O-N 3.18Š| ||
| 231 | P | 44 | Very low | 38.1 | Very low | 135 Ų | 135 | 145.7 Ų | 145.7 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | trans | -56.8 | 128.9 | 177.3 | -22.5 | 32.6 | 0 | 0 | 0 | 113 | ||||
| 232 | R | 37.7 | Very low | 37.4 | Very low | 245 Ų | 245 | 147.9 Ų | 147.9 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | trans | -116.1 | 126.4 | 167.2 | -118.3 | -179.8 | -176.1 | -178.2 | 1.5 | 110.1 | R230 R234 | R230-R232 PolarHBondContact O-N 3.18Å; R232-R234 PolarHBondContact O-N 3.27Å | ||
| 233 | K | 34.8 | Very low | 36.8 | Very low | 208 Ų | 208 | 154.3 Ų | 154.3 | 90% | 0.904 | 84% | 0.837 | S | S | * | * | trans | -56.2 | 114 | -173.9 | -172.2 | 171.8 | -177.9 | 173.9 | 0 | 111.1 | ||||
| 234 | R | 33.1 | Very low | 36.6 | Very low | 235 Ų | 235 | 152.8 Ų | 152.8 | 89% | 0.887 | 84% | 0.836 | S | S | * | * | trans | -70.2 | 128.7 | 176.2 | -146.8 | -178.9 | -164.7 | -133.3 | 5.5 | 108.8 | R232 | R232-R234 PolarHBondContact O-N 3.27Š| ||
| 235 | K | 33.8 | Very low | 36.4 | Very low | 191 Ų | 191 | 155 Ų | 155 | 83% | 0.83 | 84% | 0.841 | S | S | * | * | trans | -127.2 | 105.1 | 171.9 | 179.1 | 68.9 | 176.7 | -177.7 | 0 | 108.1 | ||||
| 236 | S | 32.3 | Very low | 35.8 | Very low | 86 Ų | 86 | 157.6 Ų | 157.6 | 60% | 0.601 | 84% | 0.835 | S | S | * | * | trans | -70.5 | 151.2 | 165.5 | -41.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 237 | P | 43.2 | Very low | 35.7 | Very low | 126 Ų | 126 | 159.7 Ų | 159.7 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | -122.4 | 179.3 | 124.4 | 18.4 | -1 | 0 | 0 | 0 | 111.8 | |||||
| 238 | A | 34.3 | Very low | 35.4 | Very low | 103 Ų | 103 | 155.9 Ų | 155.9 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | trans | -91.6 | -172.7 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 239 | M | 37.5 | Very low | 34.9 | Very low | 198 Ų | 198 | 149.5 Ų | 149.5 | 98% | 0.975 | 82% | 0.823 | S | S | * | * | trans | -65.6 | 160.4 | 178.1 | -62.5 | 170.6 | 163.1 | 0 | 0 | 113.4 | ||||
| 240 | G | 34.2 | Very low | 34.7 | Very low | 67 Ų | 67 | 151.9 Ų | 151.9 | 69% | 0.691 | 83% | 0.827 | S | S | * | * | trans | 168.5 | 109.9 | 159.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 241 | I | 32.8 | Very low | 34.6 | Very low | 171 Ų | 171 | 147 Ų | 147 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | trans | 75.2 | 130.6 | 145.4 | -56.6 | 166.2 | 0 | 0 | 0 | 118.6 | ||||
| 242 | D | 39.1 | Very low | 34.1 | Very low | 150 Ų | 150 | 148.2 Ų | 148.2 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | -86.9 | 153.4 | 175.3 | -47.9 | -102.6 | 0 | 0 | 0 | 113.5 | ||||
| 243 | I | 31.5 | Very low | 34.1 | Very low | 176 Ų | 176 | 143.7 Ų | 143.7 | 90% | 0.903 | 81% | 0.807 | S | S | * | * | trans | -161.5 | 157.9 | 149.8 | -115.7 | 162.9 | 0 | 0 | 0 | 110.6 | ||||
| 244 | A | 34.6 | Very low | 34.3 | Very low | 91 Ų | 91 | 141.1 Ų | 141.1 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | trans | -133.3 | 165.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 245 | S | 30.9 | Very low | 34.4 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | 71.6 | 153.9 | -178.3 | -122.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 246 | Y | 29.8 | Very low | 34.6 | Very low | 205 Ų | 205 | 132.3 Ų | 132.3 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | cis | -149.9 | 157.5 | 14.5 | 54.4 | -92 | 0 | 0 | 0 | 114.9 | ||||
| 247 | N | 36.1 | Very low | 34.9 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 72% | 0.717 | 81% | 0.805 | S | S | * | * | trans | 28.7 | 121.9 | 144.8 | -150.9 | 32.8 | 0 | 0 | 0 | 124.2 | ||||
| 248 | S | 35.6 | Very low | 34.9 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | 43.1 | 145.1 | 134.7 | -56.6 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 249 | G | 28 | Very low | 35.2 | Very low | 80 Ų | 80 | 137.1 Ų | 137.1 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | 171.6 | 133.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 250 | C | 30.1 | Very low | 35.1 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -137.5 | 145.4 | 172.1 | 53.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 251 | N | 33.6 | Very low | 35.5 | Very low | 136 Ų | 136 | 141.5 Ų | 141.5 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | 178.5 | -162.8 | 110.1 | -147.9 | 57.3 | 0 | 0 | 0 | 112.1 | |||||
| 252 | E | 33 | Very low | 35.8 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | -102.5 | 154.2 | -164 | -55.1 | 148.4 | 123 | 0 | 0 | 113.8 | ||||
| 253 | N | 36.9 | Very low | 36 | Very low | 151 Ų | 151 | 138 Ų | 138 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | 164.9 | 165.8 | 110.8 | -160 | 60.4 | 0 | 0 | 0 | 113.6 | |||||
| 254 | D | 40.1 | Very low | 36.1 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -58 | 158.1 | -174.7 | -75.2 | -124.5 | 0 | 0 | 0 | 119.4 | ||||
| 255 | G | 34.3 | Very low | 36.7 | Very low | 79 Ų | 79 | 140.8 Ų | 140.8 | 81% | 0.814 | 78% | 0.775 | S | S | * | * | trans | -178.8 | 133.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 256 | D | 39.4 | Very low | 37.3 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | trans | -98.6 | -179.5 | -173.1 | -153.4 | -75.3 | 0 | 0 | 0 | 113.4 | ||||
| 257 | H | 38.4 | Very low | 37.9 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | trans | 95.2 | 87.4 | 155 | -159.2 | -77.7 | 0 | 0 | 0 | 121.4 | ||||
| 258 | L | 43.3 | Very low | 38.4 | Very low | 142 Ų | 142 | 138.7 Ų | 138.7 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | 52.1 | 137.4 | 136.5 | -51.6 | -176.1 | 0 | 0 | 0 | 124 | ||||
| 259 | D | 40.3 | Very low | 38.8 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 68% | 0.679 | 78% | 0.783 | S | S | * | * | trans | 67.1 | 91.6 | 148.2 | -158.2 | -90.5 | 0 | 0 | 0 | 122.1 | ||||
| 260 | R | 36.1 | Very low | 40.2 | Very low | 203 Ų | 203 | 145.5 Ų | 145.5 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | trans | -156.8 | 137.4 | 138.5 | -160.7 | 49.9 | 38.2 | 163.8 | -11.9 | 113.5 | Q262 | R260-Q262 PolarHBondContact O-N 3.18Š| ||
| 261 | D | 42.3 | Very low | 41.5 | Very low | 153 Ų | 153 | 149.1 Ų | 149.1 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -74.7 | 114.3 | 169 | -161.8 | -59.8 | 0 | 0 | 0 | 110.3 | ||||
| 262 | Q | 39 | Very low | 42.5 | Very low | 158 Ų | 158 | 154 Ų | 154 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | -155.5 | 132.7 | 175.2 | -165.3 | 63.1 | 62.3 | 0 | 0 | 111.7 | R260 Y264 | R260-Q262 PolarHBondContact O-N 3.18Å; Q262-Y264 PolarHBondContact O-N 3.43Å | ||
| 263 | A | 42.2 | Very low | 43.7 | Very low | 91 Ų | 91 | 155.2 Ų | 155.2 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 121.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 264 | Y | 34.2 | Very low | 45.5 | Very low | 222 Ų | 222 | 159.5 Ų | 159.5 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 140.6 | 173.8 | -103.7 | -96.3 | 0 | 0 | 0 | 113.2 | Q262 | Q262-Y264 PolarHBondContact O-N 3.43Š|
| 265 | P | 46.4 | Very low | 47.1 | Very low | 103 Ų | 103 | 157.7 Ų | 157.7 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 149.8 | 166.6 | 30.6 | -34.4 | 0 | 0 | 0 | 111.2 | S267 | P265-S267 PolarHBondContact O-N 2.89Š|
| 266 | P | 43.8 | Very low | 49.4 | Very low | 126 Ų | 126 | 159.4 Ų | 159.4 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -72.1 | 97.9 | -175.4 | 28.8 | -35 | 0 | 0 | 0 | 112.1 | Q268 | P266-Q268 PolarHBondContact O-N 3.36Š| ||
| 267 | S | 42.9 | Very low | 52 | Low | 108 Ų | 108 | 154.4 Ų | 154.4 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -54.6 | 123.9 | 174.8 | -179.9 | 0 | 0 | 0 | 0 | 111.8 | P265 K269 | P265-S267 PolarHBondContact O-N 2.89Å; S267-K269 PolarHBondContact O-N 3.06Å | ||
| 268 | Q | 46.7 | Very low | 54.6 | Low | 181 Ų | 181 | 155.1 Ų | 155.1 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -72.9 | 96.9 | -177.2 | -62.1 | -172.2 | 28.3 | 0 | 0 | 110.2 | P266 T270 | P266-Q268 PolarHBondContact O-N 3.36Å; Q268-T270 PolarHBondContact O-N 3.08Å | ||
| 269 | K | 45 | Very low | 57 | Low | 203 Ų | 203 | 154.8 Ų | 154.8 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | -59.5 | 100.9 | 179.4 | -71.5 | 179.3 | 178.6 | 175.6 | 0 | 111.1 | S267 K271 | S267-K269 PolarHBondContact O-N 3.06Å; K269-K271 PolarHBondContact O-N 2.95Å | ||
| 270 | T | 57.2 | Low | 59.5 | Low | 129 Ų | 129 | 154 Ų | 154 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | -59.7 | 124.5 | 178.9 | 44.2 | 0 | 0 | 0 | 0 | 110.9 | Q268 R272 | Q268-T270 PolarHBondContact O-N 3.08Å; T270-R272 PolarHBondContact O-N 3.01Å | ||
| 271 | K | 56.4 | Low | 62.3 | Low | 197 Ų | 197 | 145.7 Ų | 145.7 | 86% | 0.857 | 73% | 0.726 | S | S | * | * | trans | -71.6 | 92.6 | -177 | -177 | -179 | 178.9 | -178.8 | 0 | 109.6 | K269 M273 | K269-K271 PolarHBondContact O-N 2.95Å; K271-M273 PolarHBondContact O-N 3.38Å; K271-M273 VanDerWaalsContact O-N 3.14Å | ||
| 272 | R | 55.1 | Low | 64.8 | Low | 240 Ų | 240 | 140.7 Ų | 140.7 | 91% | 0.906 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 120.4 | -179.5 | -57.5 | -171.2 | -163.1 | -167.4 | 5.5 | 110.6 | T270 | T270-R272 PolarHBondContact O-N 3.01Š|
| 273 | M | 58.2 | Low | 67.5 | Low | 183 Ų | 183 | 140.8 Ų | 140.8 | 90% | 0.901 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 137 | 179.5 | -65.8 | 177.6 | 72.3 | 0 | 0 | 110.1 | K271 T275 | K271-M273 PolarHBondContact O-N 3.38Å; K271-M273 VanDerWaalsContact O-N 3.14Å; M273-T275 PolarHBondContact O-N 3.38Å |
| 274 | R | 75 | Confident | 70 | Confident | 241 Ų | 241 | 138 Ų | 138 | 91% | 0.909 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 123.1 | 172.3 | 175.2 | 175.1 | -73.9 | -143.8 | -1.3 | 108.7 | S276 | R274-S276 PolarHBondContact O-N 3.3Š|
| 275 | T | 72.4 | Confident | 73 | Confident | 115 Ų | 115 | 127.4 Ų | 127.4 | 71% | 0.706 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 131.2 | 170.6 | 46.8 | 0 | 0 | 0 | 0 | 110.6 | M273 | M273-T275 PolarHBondContact O-N 3.38Š|
| 276 | S | 83.9 | Confident | 75.3 | Confident | 115 Ų | 115 | 129 Ų | 129 | 80% | 0.804 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 148.6 | 176.2 | -166.2 | 0 | 0 | 0 | 0 | 110.6 | R274 | R274-S276 PolarHBondContact O-N 3.3Š|
| 277 | F | 93.1 | Very high | 77.8 | Confident | 58 Ų | 58 | 126.6 Ų | 126.6 | 25% | 0.254 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -94.7 | 136.9 | 179.2 | -62.8 | -71.7 | 0 | 0 | 0 | 110.6 | L282 M285 L309 V313 W317 | F277-L282 HydrophobicContact CB-CD1 4.19Å; F277-L282 HydrophobicContact CB-CD2 3.72Å; F277-L282 HydrophobicContact CB-CG 3.67Å; F277-L282 HydrophobicContact CD2-CD2 4.06Å; F277-L282 HydrophobicContact CG-CD2 4.12Å; F277-M285 HydrophobicContact CD1-CE 4.07Å; F277-M285 HydrophobicContact CE1-CE 4.4Å; F277-M285 HydrophobicContact CG-CE 4.24Å; F277-L309 HydrophobicContact CD1-CD1 3.75Å; F277-L309 HydrophobicContact CD1-CD2 4.07Å; F277-L309 HydrophobicContact CE1-CD1 3.77Å; F277-L309 HydrophobicContact CE1-CD2 4.08Å; F277-V313 HydrophobicContact CE1-CG1 3.55Å; F277-V313 HydrophobicContact CZ-CG1 3.87Å; F277-W317 AromaticContact CE2-CD1 3.74Å; F277-W317 AromaticContact CZ-CD1 3.98Å |
| 278 | K | 92.4 | Very high | 80.3 | Confident | 163 Ų | 163 | 123.7 Ų | 123.7 | 71% | 0.709 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 149.5 | 172.3 | -67.7 | -173.6 | 176.8 | -177 | 0 | 110.2 | H280 Q281 L282 | K278-H280 VanDerWaalsContact C-N 3.3Å; K278-H280 PolarHBondContact O-N 2.98Å; K278-Q281 HydrophobicContact CB-CG 4.26Å; K278-Q281 WeakPolarHBondContact O-CB 3.46Å; K278-Q281 PolarHBondContact O-N 3.46Å; K278-L282 PolarHBondContact O-N 3.03Å; K278-L282 VanDerWaalsContact O-N 3.12Å |
| 279 | H | 93.8 | Very high | 82.6 | Confident | 135 Ų | 135 | 116.4 Ų | 116.4 | 63% | 0.625 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -54 | -42 | -176.8 | -173.8 | 54.1 | 0 | 0 | 0 | 113.5 | Q281 L282 R283 | H279-Q281 PolarHBondContact O-N 3.45Å; H279-L282 PolarHBondContact O-N 2.8Å; H279-R283 PolarHBondContact O-N 2.8Å |
| 280 | H | 94.3 | Very high | 84.9 | Confident | 110 Ų | 110 | 110.8 Ų | 110.8 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -56.3 | -48.3 | 173.5 | 174.4 | 89.7 | 0 | 0 | 0 | 112.1 | K278 L282 R283 T284 | K278-H280 VanDerWaalsContact C-N 3.3Å; K278-H280 PolarHBondContact O-N 2.98Å; H280-L282 VanDerWaalsContact C-N 3.32Å; H280-L282 PolarHBondContact O-N 3.01Å; H280-R283 PolarHBondContact O-N 2.99Å; H280-R283 VanDerWaalsContact O-N 3.14Å; H280-T284 PolarHBondContact NE2-OG1 2.88Å; H280-T284 PolarHBondContact O-N 2.93Å; H280-T284 PolarHBondContact O-OG1 3.13Å; H280-T284 VanDerWaalsContact O-OG1 3.12Å |
| 281 | Q | 94 | Very high | 86.6 | Confident | 28 Ų | 28 | 111.5 Ų | 111.5 | 13% | 0.131 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -60.5 | -43.1 | -179.8 | -59.1 | 171.8 | -39.6 | 0 | 0 | 110.9 | K278 H279 M285 T307 L309 | K278-Q281 HydrophobicContact CB-CG 4.26Å; K278-Q281 WeakPolarHBondContact O-CB 3.46Å; K278-Q281 PolarHBondContact O-N 3.46Å; H279-Q281 PolarHBondContact O-N 3.45Å; Q281-M285 HydrophobicContact CB-CE 4.29Å; Q281-M285 WeakPolarHBondContact O-CB 3.33Å; Q281-M285 WeakPolarHBondContact O-CE 3.27Å; Q281-M285 WeakPolarHBondContact O-CG 3.44Å; Q281-M285 PolarHBondContact O-N 3.36Å; Q281-T307 WeakPolarHBondContact CG-O 3.22Å; Q281-T307 PolarHBondContact NE2-O 2.64Å; Q281-L309 HydrophobicContact CB-CD1 4.16Å; Q281-L309 HydrophobicContact CG-CD1 4.46Å |
| 282 | L | 95.7 | Very high | 88.2 | Confident | 48 Ų | 48 | 104.6 Ų | 104.6 | 25% | 0.251 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.7 | -39.1 | 175.7 | -69.3 | 174.6 | 0 | 0 | 0 | 112.6 | F277 K278 H279 H280 M285 K286 | F277-L282 HydrophobicContact CB-CD1 4.19Å; F277-L282 HydrophobicContact CB-CD2 3.72Å; F277-L282 HydrophobicContact CB-CG 3.67Å; F277-L282 HydrophobicContact CD2-CD2 4.06Å; F277-L282 HydrophobicContact CG-CD2 4.12Å; K278-L282 PolarHBondContact O-N 3.03Å; K278-L282 VanDerWaalsContact O-N 3.12Å; H279-L282 PolarHBondContact O-N 2.8Å; H280-L282 VanDerWaalsContact C-N 3.32Å; H280-L282 PolarHBondContact O-N 3.01Å; L282-M285 HydrophobicContact CD2-CE 4.09Å; L282-K286 VanDerWaalsContact O-CB 3.27Å; L282-K286 WeakPolarHBondContact O-CB 3.38Å; L282-K286 WeakPolarHBondContact O-CG 3.48Å; L282-K286 PolarHBondContact O-N 3.12Å |
| 283 | R | 95.6 | Very high | 90 | Very high | 161 Ų | 161 | 96.5 Ų | 96.5 | 61% | 0.608 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.8 | -49.6 | 176 | -178 | 179.5 | -79.7 | 159.4 | -9.1 | 110.8 | H279 H280 K286 S287 | H279-R283 PolarHBondContact O-N 2.8Å; H280-R283 PolarHBondContact O-N 2.99Å; H280-R283 VanDerWaalsContact O-N 3.14Å; R283-K286 PolarHBondContact O-N 3.35Å; R283-S287 VanDerWaalsContact O-CB 3.31Å; R283-S287 WeakPolarHBondContact O-CB 3.48Å; R283-S287 PolarHBondContact O-N 2.88Å |
| 284 | T | 94.6 | Very high | 91.6 | Very high | 32 Ų | 32 | 92.7 Ų | 92.7 | 20% | 0.196 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 179.2 | -56.7 | 0 | 0 | 0 | 0 | 112 | H280 S287 Y288 L303 K306 T307 | H280-T284 PolarHBondContact NE2-OG1 2.88Å; H280-T284 PolarHBondContact O-N 2.93Å; H280-T284 PolarHBondContact O-OG1 3.13Å; H280-T284 VanDerWaalsContact O-OG1 3.12Å; T284-S287 PolarHBondContact O-N 2.89Å; T284-Y288 PolarHBondContact O-N 3.14Å; T284-Y288 VanDerWaalsContact O-N 3.11Å; T284-L303 HydrophobicContact CG2-CD2 4.22Å; T284-K306 HydrophobicContact CG2-CB 4.42Å; T284-T307 HydrophobicContact CG2-CG2 3.84Å |
| 285 | M | 96.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 177.4 | -70.4 | -174.4 | -70.6 | 0 | 0 | 112.9 | F277 Q281 L282 F289 T307 L309 L314 W317 F318 | F277-M285 HydrophobicContact CD1-CE 4.07Å; F277-M285 HydrophobicContact CE1-CE 4.4Å; F277-M285 HydrophobicContact CG-CE 4.24Å; Q281-M285 HydrophobicContact CB-CE 4.29Å; Q281-M285 WeakPolarHBondContact O-CB 3.33Å; Q281-M285 WeakPolarHBondContact O-CE 3.27Å; Q281-M285 WeakPolarHBondContact O-CG 3.44Å; Q281-M285 PolarHBondContact O-N 3.36Å; L282-M285 HydrophobicContact CD2-CE 4.09Å; M285-F289 WeakPolarHBondContact O-CB 3.32Å; M285-F289 PolarHBondContact O-N 3.17Å; M285-T307 HydrophobicContact CG-CG2 4.47Å; M285-L309 HydrophobicContact CE-CD1 3.81Å; M285-L309 HydrophobicContact SD-CD1 3.88Å; M285-L314 HydrophobicContact CG-CD2 3.95Å; M285-L314 HydrophobicContact SD-CD2 3.45Å; M285-L314 WeakPolarHBondContact SD-CD2 3.18Å; M285-W317 HydrophobicContact CB-CD2 4.11Å; M285-W317 HydrophobicContact CB-CE3 3.96Å; M285-W317 HydrophobicContact CB-CH2 3.71Å; M285-W317 HydrophobicContact CB-CZ2 3.82Å; M285-W317 HydrophobicContact CB-CZ3 3.77Å; M285-W317 HydrophobicContact CE-CD2 4.18Å; M285-W317 HydrophobicContact CE-CG 4.05Å; M285-W317 HydrophobicContact CG-CD2 4.46Å; M285-W317 HydrophobicContact CG-CE3 4.48Å; M285-W317 HydrophobicContact SD-CB 4.08Å; M285-W317 HydrophobicContact SD-CD2 3.64Å; M285-W317 HydrophobicContact SD-CE3 4.11Å; M285-W317 HydrophobicContact SD-CG 3.6Å; M285-W317 VanDerWaalsContact SD-CG 3.6Å; M285-F318 HydrophobicContact CG-CE2 4.46Å |
| 286 | K | 95.4 | Very high | 93.5 | Very high | 136 Ų | 136 | 80 Ų | 80 | 59% | 0.591 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -67 | -41.7 | 176.3 | -75.8 | 174.5 | 179.5 | -177.6 | 0 | 112.7 | L282 R283 F289 A290 W317 | L282-K286 VanDerWaalsContact O-CB 3.27Å; L282-K286 WeakPolarHBondContact O-CB 3.38Å; L282-K286 WeakPolarHBondContact O-CG 3.48Å; L282-K286 PolarHBondContact O-N 3.12Å; R283-K286 PolarHBondContact O-N 3.35Å; K286-F289 PolarHBondContact O-N 3.38Å; K286-A290 PolarHBondContact O-N 3.26Å; K286-W317 HydrophobicContact CG-CH2 4.15Å; K286-W317 HydrophobicContact CG-CZ2 4.15Å |
| 287 | S | 95.6 | Very high | 93.9 | Very high | 76 Ų | 76 | 77.5 Ų | 77.5 | 53% | 0.531 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 178.5 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | R283 T284 A290 | R283-S287 VanDerWaalsContact O-CB 3.31Å; R283-S287 WeakPolarHBondContact O-CB 3.48Å; R283-S287 PolarHBondContact O-N 2.88Å; T284-S287 PolarHBondContact O-N 2.89Å; S287-A290 PolarHBondContact O-N 3.47Å |
| 288 | Y | 95.2 | Very high | 93.9 | Very high | 46 Ų | 46 | 82.2 Ų | 82.2 | 18% | 0.18 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 172.3 | -171.1 | -75.3 | 0 | 0 | 0 | 112 | T284 A290 I291 N292 P295 D299 L303 F318 | T284-Y288 PolarHBondContact O-N 3.14Å; T284-Y288 VanDerWaalsContact O-N 3.11Å; Y288-A290 PolarHBondContact O-N 3.49Å; Y288-I291 PolarHBondContact O-N 3.38Å; Y288-N292 HydrophobicContact CE1-CB 3.65Å; Y288-N292 WeakPolarHBondContact CE1-O 3.44Å; Y288-N292 PolarHBondContact O-N 2.98Å; Y288-N292 PolarHBondContact OH-ND2 3.43Å; Y288-P295 HydrophobicContact CD1-CB 4.37Å; Y288-P295 HydrophobicContact CE1-CB 3.63Å; Y288-P295 HydrophobicContact CE1-CG 4.3Å; Y288-D299 HydrophobicContact CE2-CB 4.38Å; Y288-D299 PolarHBondContact OH-OD1 3.46Å; Y288-D299 PolarHBondContact OH-OD2 3.35Å; Y288-L303 HydrophobicContact CD1-CD1 4.07Å; Y288-L303 HydrophobicContact CD2-CD1 4.17Å; Y288-L303 HydrophobicContact CD2-CD2 4.22Å; Y288-L303 HydrophobicContact CD2-CG 4.41Å; Y288-L303 HydrophobicContact CG-CD1 3.93Å; Y288-L303 HydrophobicContact CG-CD2 4.15Å; Y288-L303 HydrophobicContact CG-CG 4.49Å; Y288-F318 AromaticContact CD1-CE1 3.9Å; Y288-F318 HydrophobicContact CD1-CE1 3.9Å; Y288-F318 AromaticContact CD1-CZ 3.85Å; Y288-F318 HydrophobicContact CD1-CZ 3.85Å; Y288-F318 HydrophobicContact CG-CZ 4.48Å |
| 289 | F | 95.9 | Very high | 94 | Very high | 29 Ų | 29 | 76 Ų | 76 | 13% | 0.127 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61 | -24.7 | 178.1 | -168.1 | -85.8 | 0 | 0 | 0 | 113.1 | M285 K286 I291 H293 W317 F318 A321 R322 F325 | M285-F289 WeakPolarHBondContact O-CB 3.32Å; M285-F289 PolarHBondContact O-N 3.17Å; K286-F289 PolarHBondContact O-N 3.38Å; F289-I291 PolarHBondContact O-N 2.91Å; F289-H293 AromaticContact CD1-CD2 3.93Å; F289-H293 AromaticContact CE1-CD2 3.61Å; F289-H293 AromaticContact CE1-NE2 3.63Å; F289-H293 HydrophobicContact CE2-CB 4.35Å; F289-H293 HydrophobicContact CZ-CB 4.36Å; F289-H293 AromaticContact CZ-CD2 3.79Å; F289-H293 AromaticContact CZ-CG 3.93Å; F289-H293 PolarHBondContact O-CD2 3.35Å; F289-W317 HydrophobicContact CB-CH2 4.35Å; F289-W317 HydrophobicContact CB-CZ3 4.19Å; F289-W317 HydrophobicContact CD2-CZ3 4.18Å; F289-W317 HydrophobicContact CG-CZ3 4.44Å; F289-F318 HydrophobicContact CB-CE1 4.07Å; F289-F318 AromaticContact CD2-CD1 3.69Å; F289-F318 HydrophobicContact CD2-CD1 3.69Å; F289-F318 AromaticContact CD2-CE1 3.78Å; F289-F318 HydrophobicContact CD2-CE1 3.78Å; F289-F318 HydrophobicContact CE2-CD1 4.35Å; F289-F318 HydrophobicContact CG-CE1 4.43Å; F289-A321 HydrophobicContact CD2-CB 3.76Å; F289-A321 HydrophobicContact CE2-CB 3.47Å; F289-A321 VanDerWaalsContact CE2-CB 3.47Å; F289-A321 HydrophobicContact CG-CB 4.5Å; F289-A321 HydrophobicContact CZ-CB 3.99Å; F289-R322 HydrophobicContact CE2-CG 3.87Å; F289-R322 HydrophobicContact CZ-CG 4.19Å; F289-F325 HydrophobicContact CE1-CD2 4.49Å; F289-F325 HydrophobicContact CZ-CB 4.27Å |
| 290 | A | 93.1 | Very high | 94.1 | Very high | 84 Ų | 84 | 70.1 Ų | 70.1 | 69% | 0.694 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -15.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K286 S287 Y288 | K286-A290 PolarHBondContact O-N 3.26Å; S287-A290 PolarHBondContact O-N 3.47Å; Y288-A290 PolarHBondContact O-N 3.49Å |
| 291 | I | 91.4 | Very high | 94.1 | Very high | 144 Ų | 144 | 72.3 Ų | 72.3 | 74% | 0.738 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | -44 | -177.1 | -54.9 | 171.4 | 0 | 0 | 0 | 110.5 | Y288 F289 | Y288-I291 PolarHBondContact O-N 3.38Å; F289-I291 PolarHBondContact O-N 2.91Å |
| 292 | N | 91.3 | Very high | 94.1 | Very high | 52 Ų | 52 | 75.7 Ų | 75.7 | 28% | 0.278 | 39% | 0.388 | S | S | . | . | trans | -142.2 | 121.1 | 178.6 | 176 | 15.6 | 0 | 0 | 0 | 112 | Y288 N294 | Y288-N292 HydrophobicContact CE1-CB 3.65Å; Y288-N292 WeakPolarHBondContact CE1-O 3.44Å; Y288-N292 PolarHBondContact O-N 2.98Å; Y288-N292 PolarHBondContact OH-ND2 3.43Å; N292-N294 PolarHBondContact ND2-O 3.26Å; N292-N294 VanDerWaalsContact OD1-C 3.25Å; N292-N294 WeakPolarHBondContact OD1-CA 3.38Å; N292-N294 PolarHBondContact OD1-N 3.43Å; N292-N294 PolarHBondContact OD1-O 3.04Å | ||
| 293 | H | 92.1 | Very high | 94.1 | Very high | 70 Ų | 70 | 73.8 Ų | 73.8 | 32% | 0.324 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -75.2 | -26.2 | 177.9 | -67.3 | -178.6 | 0 | 0 | 0 | 113 | F289 P295 R322 F325 | F289-H293 AromaticContact CD1-CD2 3.93Å; F289-H293 AromaticContact CE1-CD2 3.61Å; F289-H293 AromaticContact CE1-NE2 3.63Å; F289-H293 HydrophobicContact CE2-CB 4.35Å; F289-H293 HydrophobicContact CZ-CB 4.36Å; F289-H293 AromaticContact CZ-CD2 3.79Å; F289-H293 AromaticContact CZ-CG 3.93Å; F289-H293 PolarHBondContact O-CD2 3.35Å; H293-P295 WeakPolarHBondContact O-CD 3.47Å; H293-R322 HydrophobicContact CB-CG 4.37Å; H293-R322 VanDerWaalsContact O-CD 3.31Å; H293-R322 WeakPolarHBondContact O-CD 3.38Å; H293-R322 PolarHBondContact O-NH1 3.4Å; H293-F325 AromaticContact CE1-CD1 4Å; H293-F325 AromaticContact CE1-CE1 3.71Å; H293-F325 AromaticContact CE1-CE2 3.91Å; H293-F325 AromaticContact CE1-CZ 3.67Å |
| 294 | N | 92.9 | Very high | 94.1 | Very high | 103 Ų | 103 | 67.2 Ų | 67.2 | 55% | 0.551 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -119.1 | 74.9 | -178.7 | -87.8 | 9.5 | 0 | 0 | 0 | 110.8 | N292 R322 | N292-N294 PolarHBondContact ND2-O 3.26Å; N292-N294 VanDerWaalsContact OD1-C 3.25Å; N292-N294 WeakPolarHBondContact OD1-CA 3.38Å; N292-N294 PolarHBondContact OD1-N 3.43Å; N292-N294 PolarHBondContact OD1-O 3.04Å; N294-R322 WeakPolarHBondContact OD1-CD 3.39Å; N294-R322 PolarHBondContact OD1-NE 3.07Å; N294-R322 VanDerWaalsContact OD1-NE 3.1Å; N294-R322 PolarHBondContact OD1-NH1 2.82Å |
| 295 | P | 91.7 | Very high | 94.2 | Very high | 17 Ų | 17 | 73.5 Ų | 73.5 | 11% | 0.11 | 39% | 0.385 | C | S | . | . | trans | -60.7 | 140.7 | 172.9 | 25.1 | -34.7 | 0 | 0 | 0 | 112.1 | Y288 H293 D299 L300 L303 F318 | Y288-P295 HydrophobicContact CD1-CB 4.37Å; Y288-P295 HydrophobicContact CE1-CB 3.63Å; Y288-P295 HydrophobicContact CE1-CG 4.3Å; H293-P295 WeakPolarHBondContact O-CD 3.47Å; P295-D299 HydrophobicContact CB-CB 3.58Å; P295-L300 HydrophobicContact CB-CD1 3.79Å; P295-L300 HydrophobicContact CG-CD1 3.84Å; P295-L300 VanDerWaalsContact O-CD1 3.24Å; P295-L300 WeakPolarHBondContact O-CD1 3.29Å; P295-L303 HydrophobicContact CB-CD1 4.4Å; P295-F318 HydrophobicContact CG-CB 4.42Å; P295-F318 HydrophobicContact CG-CD1 3.54Å; P295-F318 HydrophobicContact CG-CD2 4.09Å; P295-F318 HydrophobicContact CG-CE1 3.73Å; P295-F318 HydrophobicContact CG-CE2 4.26Å; P295-F318 HydrophobicContact CG-CG 3.75Å; P295-F318 HydrophobicContact CG-CZ 4.1Å | ||
| 296 | D | 93.9 | Very high | 94 | Very high | 72 Ų | 72 | 79.7 Ų | 79.7 | 39% | 0.385 | 41% | 0.412 | S | S | . | . | trans | -84.9 | -175.5 | -177.3 | 105.1 | -47.7 | 0 | 0 | 0 | 113.8 | K298 D299 L300 | D296-K298 VanDerWaalsContact C-N 3.27Å; D296-K298 VanDerWaalsContact CG-N 3.34Å; D296-K298 PolarHBondContact O-N 3.39Å; D296-K298 VanDerWaalsContact OD1-CA 3.29Å; D296-K298 WeakPolarHBondContact OD1-CA 3.43Å; D296-K298 VanDerWaalsContact OD1-CB 3.26Å; D296-K298 WeakPolarHBondContact OD1-CB 3.4Å; D296-K298 PolarHBondContact OD1-N 3.5Å; D296-K298 PolarHBondContact OD2-N 3.22Å; D296-D299 PolarHBondContact N-OD2 3.05Å; D296-D299 PolarHBondContact OD1-N 3.45Å; D296-L300 WeakPolarHBondContact O-CD1 3.31Å; D296-L300 PolarHBondContact O-N 3.43Å | ||
| 297 | A | 93 | Very high | 93.9 | Very high | 63 Ų | 63 | 73.7 Ų | 73.7 | 52% | 0.521 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -27.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | K311 | A297-K311 PolarHBondContact O-NZ 3.36Š|
| 298 | K | 93.9 | Very high | 93.9 | Very high | 157 Ų | 157 | 73.4 Ų | 73.4 | 68% | 0.683 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -44.3 | 177.1 | -56.3 | 172.3 | 179.7 | 174.9 | 0 | 111.2 | D296 L300 K301 Q302 | D296-K298 VanDerWaalsContact C-N 3.27Å; D296-K298 VanDerWaalsContact CG-N 3.34Å; D296-K298 PolarHBondContact O-N 3.39Å; D296-K298 VanDerWaalsContact OD1-CA 3.29Å; D296-K298 WeakPolarHBondContact OD1-CA 3.43Å; D296-K298 VanDerWaalsContact OD1-CB 3.26Å; D296-K298 WeakPolarHBondContact OD1-CB 3.4Å; D296-K298 PolarHBondContact OD1-N 3.5Å; D296-K298 PolarHBondContact OD2-N 3.22Å; K298-L300 VanDerWaalsContact C-N 3.32Å; K298-L300 PolarHBondContact O-N 3.39Å; K298-K301 WeakPolarHBondContact O-CA 3.19Å; K298-K301 WeakPolarHBondContact O-CB 3.38Å; K298-K301 PolarHBondContact O-N 2.92Å; K298-Q302 PolarHBondContact O-N 2.9Å |
| 299 | D | 94.1 | Very high | 93.9 | Very high | 34 Ų | 34 | 72.4 Ų | 72.4 | 18% | 0.182 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -53.1 | -49.1 | 173.3 | -70.7 | -54.3 | 0 | 0 | 0 | 110.9 | Y288 P295 D296 K301 Q302 L303 | Y288-D299 HydrophobicContact CE2-CB 4.38Å; Y288-D299 PolarHBondContact OH-OD1 3.46Å; Y288-D299 PolarHBondContact OH-OD2 3.35Å; P295-D299 HydrophobicContact CB-CB 3.58Å; D296-D299 PolarHBondContact N-OD2 3.05Å; D296-D299 PolarHBondContact OD1-N 3.45Å; D299-K301 PolarHBondContact O-N 2.93Å; D299-Q302 PolarHBondContact O-N 3.48Å; D299-L303 WeakPolarHBondContact O-CB 3.3Å; D299-L303 WeakPolarHBondContact O-CG 3.4Å; D299-L303 PolarHBondContact O-N 2.93Å |
| 300 | L | 94.6 | Very high | 93.8 | Very high | 11 Ų | 11 | 75.3 Ų | 75.3 | 6% | 0.058 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.7 | -26.9 | 176.6 | -88.5 | 100.7 | 0 | 0 | 0 | 113.2 | P295 D296 K298 A304 K311 L314 Q315 | P295-L300 HydrophobicContact CB-CD1 3.79Å; P295-L300 HydrophobicContact CG-CD1 3.84Å; P295-L300 VanDerWaalsContact O-CD1 3.24Å; P295-L300 WeakPolarHBondContact O-CD1 3.29Å; D296-L300 WeakPolarHBondContact O-CD1 3.31Å; D296-L300 PolarHBondContact O-N 3.43Å; K298-L300 VanDerWaalsContact C-N 3.32Å; K298-L300 PolarHBondContact O-N 3.39Å; L300-A304 WeakPolarHBondContact O-CB 3.31Å; L300-A304 PolarHBondContact O-N 3.12Å; L300-K311 HydrophobicContact CB-CD 4.41Å; L300-K311 HydrophobicContact CB-CG 4.16Å; L300-K311 HydrophobicContact CD2-CG 3.83Å; L300-L314 HydrophobicContact CD2-CB 4.06Å; L300-Q315 HydrophobicContact CD2-CB 4.4Å; L300-Q315 HydrophobicContact CD2-CG 3.41Å; L300-Q315 VanDerWaalsContact CD2-CG 3.41Å |
| 301 | K | 94.8 | Very high | 93.8 | Very high | 155 Ų | 155 | 75.7 Ų | 75.7 | 67% | 0.674 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -71.9 | -45.6 | 173.5 | -170.3 | -178.4 | 178.4 | -176.6 | 0 | 110.4 | K298 D299 A304 Q305 | K298-K301 WeakPolarHBondContact O-CA 3.19Å; K298-K301 WeakPolarHBondContact O-CB 3.38Å; K298-K301 PolarHBondContact O-N 2.92Å; D299-K301 PolarHBondContact O-N 2.93Å; K301-A304 PolarHBondContact O-N 3.32Å; K301-Q305 PolarHBondContact O-N 2.97Å |
| 302 | Q | 94.7 | Very high | 93.9 | Very high | 99 Ų | 99 | 78 Ų | 78 | 46% | 0.463 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 175.2 | -65.6 | -167.2 | 37.8 | 0 | 0 | 112.3 | K298 D299 A304 Q305 K306 | K298-Q302 PolarHBondContact O-N 2.9Å; D299-Q302 PolarHBondContact O-N 3.48Å; Q302-A304 VanDerWaalsContact C-N 3.35Å; Q302-Q305 PolarHBondContact O-N 3.26Å; Q302-K306 WeakPolarHBondContact O-CB 3.42Å; Q302-K306 WeakPolarHBondContact O-CG 3.4Å; Q302-K306 PolarHBondContact O-N 2.96Å |
| 303 | L | 95.3 | Very high | 94.1 | Very high | 8 Ų | 8 | 78 Ų | 78 | 4% | 0.042 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66 | -36.4 | 177.7 | -73.5 | 166.8 | 0 | 0 | 0 | 111.7 | T284 Y288 P295 D299 K306 T307 L314 F318 | T284-L303 HydrophobicContact CG2-CD2 4.22Å; Y288-L303 HydrophobicContact CD1-CD1 4.07Å; Y288-L303 HydrophobicContact CD2-CD1 4.17Å; Y288-L303 HydrophobicContact CD2-CD2 4.22Å; Y288-L303 HydrophobicContact CD2-CG 4.41Å; Y288-L303 HydrophobicContact CG-CD1 3.93Å; Y288-L303 HydrophobicContact CG-CD2 4.15Å; Y288-L303 HydrophobicContact CG-CG 4.49Å; P295-L303 HydrophobicContact CB-CD1 4.4Å; D299-L303 WeakPolarHBondContact O-CB 3.3Å; D299-L303 WeakPolarHBondContact O-CG 3.4Å; D299-L303 PolarHBondContact O-N 2.93Å; L303-K306 PolarHBondContact O-N 3.42Å; L303-T307 WeakPolarHBondContact O-CB 3.39Å; L303-T307 WeakPolarHBondContact O-CG2 3.24Å; L303-T307 PolarHBondContact O-N 3.07Å; L303-T307 PolarHBondContact O-OG1 3.05Å; L303-L314 HydrophobicContact CB-CD1 3.76Å; L303-F318 HydrophobicContact CD1-CE2 3.91Å; L303-F318 HydrophobicContact CD1-CZ 3.91Å |
| 304 | A | 96.3 | Very high | 94.2 | Very high | 23 Ų | 23 | 74.6 Ų | 74.6 | 19% | 0.19 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.1 | -49 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | L300 K301 Q302 K306 T307 G308 L309 L314 | L300-A304 WeakPolarHBondContact O-CB 3.31Å; L300-A304 PolarHBondContact O-N 3.12Å; K301-A304 PolarHBondContact O-N 3.32Å; Q302-A304 VanDerWaalsContact C-N 3.35Å; A304-K306 PolarHBondContact O-N 2.99Å; A304-T307 PolarHBondContact O-N 3.42Å; A304-G308 WeakPolarHBondContact O-CA 3.38Å; A304-G308 PolarHBondContact O-N 3.36Å; A304-L309 VanDerWaalsContact CA-O 3.31Å; A304-L309 WeakPolarHBondContact CA-O 3.39Å; A304-L309 VanDerWaalsContact CB-O 3.24Å; A304-L309 WeakPolarHBondContact CB-O 3.43Å; A304-L314 HydrophobicContact CB-CD1 3.95Å; A304-L314 VanDerWaalsContact N-CD1 3.31Å |
| 305 | Q | 95.8 | Very high | 94.3 | Very high | 164 Ų | 164 | 73.7 Ų | 73.7 | 77% | 0.766 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.1 | -42.4 | 177.1 | -172 | 175.8 | -2.9 | 0 | 0 | 112.4 | K301 Q302 | K301-Q305 PolarHBondContact O-N 2.97Å; Q302-Q305 PolarHBondContact O-N 3.26Å |
| 306 | K | 93 | Very high | 94.5 | Very high | 131 Ų | 131 | 76.1 Ų | 76.1 | 57% | 0.57 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -74.8 | -20.5 | 179.9 | -73.1 | 171.6 | 176.4 | 169 | 0 | 114.5 | T284 Q302 L303 A304 | T284-K306 HydrophobicContact CG2-CB 4.42Å; Q302-K306 WeakPolarHBondContact O-CB 3.42Å; Q302-K306 WeakPolarHBondContact O-CG 3.4Å; Q302-K306 PolarHBondContact O-N 2.96Å; L303-K306 PolarHBondContact O-N 3.42Å; A304-K306 PolarHBondContact O-N 2.99Å |
| 307 | T | 94.1 | Very high | 94.6 | Very high | 10 Ų | 10 | 74.5 Ų | 74.5 | 6% | 0.061 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -115 | -13.6 | -176.3 | 62.5 | 0 | 0 | 0 | 0 | 114.8 | Q281 T284 M285 L303 A304 L309 | Q281-T307 WeakPolarHBondContact CG-O 3.22Å; Q281-T307 PolarHBondContact NE2-O 2.64Å; T284-T307 HydrophobicContact CG2-CG2 3.84Å; M285-T307 HydrophobicContact CG-CG2 4.47Å; L303-T307 WeakPolarHBondContact O-CB 3.39Å; L303-T307 WeakPolarHBondContact O-CG2 3.24Å; L303-T307 PolarHBondContact O-N 3.07Å; L303-T307 PolarHBondContact O-OG1 3.05Å; A304-T307 PolarHBondContact O-N 3.42Å; T307-L309 PolarHBondContact O-N 3.35Å; T307-L309 WeakPolarHBondContact OG1-CB 3.35Å; T307-L309 PolarHBondContact OG1-N 3.46Å |
| 308 | G | 94.6 | Very high | 94.7 | Very high | 70 Ų | 70 | 71.7 Ų | 71.7 | 72% | 0.722 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 15.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A304 | A304-G308 WeakPolarHBondContact O-CA 3.38Å; A304-G308 PolarHBondContact O-N 3.36Å |
| 309 | L | 94.7 | Very high | 94.8 | Very high | 24 Ų | 24 | 69.3 Ų | 69.3 | 13% | 0.126 | 35% | 0.348 | C | S | . | . | trans | -97.7 | 141.3 | 179.1 | -62.4 | 175.8 | 0 | 0 | 0 | 110.8 | F277 Q281 M285 A304 T307 V313 L314 | F277-L309 HydrophobicContact CD1-CD1 3.75Å; F277-L309 HydrophobicContact CD1-CD2 4.07Å; F277-L309 HydrophobicContact CE1-CD1 3.77Å; F277-L309 HydrophobicContact CE1-CD2 4.08Å; Q281-L309 HydrophobicContact CB-CD1 4.16Å; Q281-L309 HydrophobicContact CG-CD1 4.46Å; M285-L309 HydrophobicContact CE-CD1 3.81Å; M285-L309 HydrophobicContact SD-CD1 3.88Å; A304-L309 VanDerWaalsContact CA-O 3.31Å; A304-L309 WeakPolarHBondContact CA-O 3.39Å; A304-L309 VanDerWaalsContact CB-O 3.24Å; A304-L309 WeakPolarHBondContact CB-O 3.43Å; T307-L309 PolarHBondContact O-N 3.35Å; T307-L309 WeakPolarHBondContact OG1-CB 3.35Å; T307-L309 PolarHBondContact OG1-N 3.46Å; L309-V313 HydrophobicContact CB-CG1 4.37Å; L309-V313 HydrophobicContact CD1-CG1 4.48Å; L309-V313 HydrophobicContact CD2-CG1 4.28Å; L309-L314 HydrophobicContact CB-CD2 4Å; L309-L314 HydrophobicContact CB-CG 4.04Å; L309-L314 HydrophobicContact CD1-CD2 3.9Å | ||
| 310 | T | 94.9 | Very high | 94.8 | Very high | 91 Ų | 91 | 72.5 Ų | 72.5 | 56% | 0.558 | 37% | 0.365 | S | S | * | . | trans | -66.5 | 150.8 | 177.9 | 71.3 | 0 | 0 | 0 | 0 | 111.4 | R312 V313 L314 | T310-R312 PolarHBondContact O-N 3Å; T310-R312 VanDerWaalsContact O-N 3.12Å; T310-V313 PolarHBondContact O-N 2.98Å; T310-V313 WeakPolarHBondContact OG1-CG2 3.36Å; T310-V313 PolarHBondContact OG1-N 3.48Å; T310-L314 PolarHBondContact O-N 2.81Å; T310-L314 VanDerWaalsContact O-N 3.07Å | ||
| 311 | K | 92.6 | Very high | 94.8 | Very high | 91 Ų | 91 | 72.8 Ų | 72.8 | 40% | 0.396 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -50.6 | -39.7 | 178.5 | -174.5 | 163.3 | -177.8 | 169.3 | 0 | 112.4 | A297 L300 L314 Q315 | A297-K311 PolarHBondContact O-NZ 3.36Å; L300-K311 HydrophobicContact CB-CD 4.41Å; L300-K311 HydrophobicContact CB-CG 4.16Å; L300-K311 HydrophobicContact CD2-CG 3.83Å; K311-L314 PolarHBondContact O-N 2.97Å; K311-Q315 VanDerWaalsContact O-CG 3.3Å; K311-Q315 WeakPolarHBondContact O-CG 3.36Å; K311-Q315 PolarHBondContact O-N 2.85Å |
| 312 | R | 93.6 | Very high | 94.9 | Very high | 192 Ų | 192 | 68.2 Ų | 68.2 | 73% | 0.725 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66 | -40.4 | 177.2 | -168.8 | 178.7 | -177.9 | 98.6 | -2.7 | 113.1 | T310 L314 Q315 V316 | T310-R312 PolarHBondContact O-N 3Å; T310-R312 VanDerWaalsContact O-N 3.12Å; R312-L314 VanDerWaalsContact C-N 3.35Å; R312-Q315 PolarHBondContact O-N 2.81Å; R312-V316 WeakPolarHBondContact O-CG2 3.36Å; R312-V316 PolarHBondContact O-N 3.4Å |
| 313 | V | 94.5 | Very high | 94.8 | Very high | 52 Ų | 52 | 65.1 Ų | 65.1 | 32% | 0.315 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 177 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | F277 L309 T310 V316 W317 | F277-V313 HydrophobicContact CE1-CG1 3.55Å; F277-V313 HydrophobicContact CZ-CG1 3.87Å; L309-V313 HydrophobicContact CB-CG1 4.37Å; L309-V313 HydrophobicContact CD1-CG1 4.48Å; L309-V313 HydrophobicContact CD2-CG1 4.28Å; T310-V313 PolarHBondContact O-N 2.98Å; T310-V313 WeakPolarHBondContact OG1-CG2 3.36Å; T310-V313 PolarHBondContact OG1-N 3.48Å; V313-V316 PolarHBondContact O-N 2.98Å; V313-W317 WeakPolarHBondContact O-CB 3.39Å; V313-W317 PolarHBondContact O-N 3.21Å |
| 314 | L | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.7 | -45.4 | 173.4 | -65.8 | 174.6 | 0 | 0 | 0 | 112.1 | M285 L300 L303 A304 L309 T310 K311 R312 V316 W317 F318 | M285-L314 HydrophobicContact CG-CD2 3.95Å; M285-L314 HydrophobicContact SD-CD2 3.45Å; M285-L314 WeakPolarHBondContact SD-CD2 3.18Å; L300-L314 HydrophobicContact CD2-CB 4.06Å; L303-L314 HydrophobicContact CB-CD1 3.76Å; A304-L314 HydrophobicContact CB-CD1 3.95Å; A304-L314 VanDerWaalsContact N-CD1 3.31Å; L309-L314 HydrophobicContact CB-CD2 4Å; L309-L314 HydrophobicContact CB-CG 4.04Å; L309-L314 HydrophobicContact CD1-CD2 3.9Å; T310-L314 PolarHBondContact O-N 2.81Å; T310-L314 VanDerWaalsContact O-N 3.07Å; K311-L314 PolarHBondContact O-N 2.97Å; R312-L314 VanDerWaalsContact C-N 3.35Å; L314-V316 VanDerWaalsContact C-N 3.32Å; L314-V316 PolarHBondContact O-N 2.96Å; L314-W317 PolarHBondContact O-N 3.11Å; L314-W317 VanDerWaalsContact O-N 3.13Å; L314-F318 WeakPolarHBondContact O-CD2 3.48Å; L314-F318 PolarHBondContact O-N 2.91Å |
| 315 | Q | 95.1 | Very high | 94.4 | Very high | 84 Ų | 84 | 74 Ų | 74 | 39% | 0.393 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -52.7 | -49.9 | 174.3 | -74.9 | 170.1 | -31.5 | 0 | 0 | 111.5 | L300 K311 R312 W317 F318 Q319 | L300-Q315 HydrophobicContact CD2-CB 4.4Å; L300-Q315 HydrophobicContact CD2-CG 3.41Å; L300-Q315 VanDerWaalsContact CD2-CG 3.41Å; K311-Q315 VanDerWaalsContact O-CG 3.3Å; K311-Q315 WeakPolarHBondContact O-CG 3.36Å; K311-Q315 PolarHBondContact O-N 2.85Å; R312-Q315 PolarHBondContact O-N 2.81Å; Q315-W317 PolarHBondContact O-N 3.48Å; Q315-F318 PolarHBondContact O-N 3.1Å; Q315-Q319 WeakPolarHBondContact O-CB 3.48Å; Q315-Q319 WeakPolarHBondContact O-CG 3.24Å; Q315-Q319 PolarHBondContact O-N 2.87Å |
| 316 | V | 95.2 | Very high | 94.2 | Very high | 67 Ų | 67 | 74 Ų | 74 | 41% | 0.406 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.6 | -37.3 | 179.1 | 173 | 0 | 0 | 0 | 0 | 111.6 | R312 V313 L314 N320 | R312-V316 WeakPolarHBondContact O-CG2 3.36Å; R312-V316 PolarHBondContact O-N 3.4Å; V313-V316 PolarHBondContact O-N 2.98Å; L314-V316 VanDerWaalsContact C-N 3.32Å; L314-V316 PolarHBondContact O-N 2.96Å; V316-N320 WeakPolarHBondContact CG1-ND2 3.05Å; V316-N320 WeakPolarHBondContact O-CB 3.05Å; V316-N320 PolarHBondContact O-N 3.35Å; V316-N320 PolarHBondContact O-ND2 2.93Å |
| 317 | W | 95.5 | Very high | 93.8 | Very high | 39 Ų | 39 | 75.6 Ų | 75.6 | 15% | 0.148 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.5 | -50.2 | 175.2 | -170.2 | 98.5 | 0 | 0 | 0 | 111.6 | F277 M285 K286 F289 V313 L314 Q315 Q319 N320 A321 | F277-W317 AromaticContact CE2-CD1 3.74Å; F277-W317 AromaticContact CZ-CD1 3.98Å; M285-W317 HydrophobicContact CB-CD2 4.11Å; M285-W317 HydrophobicContact CB-CE3 3.96Å; M285-W317 HydrophobicContact CB-CH2 3.71Å; M285-W317 HydrophobicContact CB-CZ2 3.82Å; M285-W317 HydrophobicContact CB-CZ3 3.77Å; M285-W317 HydrophobicContact CE-CD2 4.18Å; M285-W317 HydrophobicContact CE-CG 4.05Å; M285-W317 HydrophobicContact CG-CD2 4.46Å; M285-W317 HydrophobicContact CG-CE3 4.48Å; M285-W317 HydrophobicContact SD-CB 4.08Å; M285-W317 HydrophobicContact SD-CD2 3.64Å; M285-W317 HydrophobicContact SD-CE3 4.11Å; M285-W317 HydrophobicContact SD-CG 3.6Å; M285-W317 VanDerWaalsContact SD-CG 3.6Å; K286-W317 HydrophobicContact CG-CH2 4.15Å; K286-W317 HydrophobicContact CG-CZ2 4.15Å; F289-W317 HydrophobicContact CB-CH2 4.35Å; F289-W317 HydrophobicContact CB-CZ3 4.19Å; F289-W317 HydrophobicContact CD2-CZ3 4.18Å; F289-W317 HydrophobicContact CG-CZ3 4.44Å; V313-W317 WeakPolarHBondContact O-CB 3.39Å; V313-W317 PolarHBondContact O-N 3.21Å; L314-W317 PolarHBondContact O-N 3.11Å; L314-W317 VanDerWaalsContact O-N 3.13Å; Q315-W317 PolarHBondContact O-N 3.48Å; W317-Q319 PolarHBondContact O-N 3.37Å; W317-N320 PolarHBondContact O-N 3.04Å; W317-A321 HydrophobicContact CE3-CB 4.1Å; W317-A321 HydrophobicContact CH2-CB 4.25Å; W317-A321 HydrophobicContact CZ3-CB 3.85Å; W317-A321 WeakPolarHBondContact O-CB 3.31Å; W317-A321 PolarHBondContact O-N 3.32Å |
| 318 | F | 96.6 | Very high | 93.2 | Very high | 3 Ų | 3 | 79.4 Ų | 79.4 | 1% | 0.013 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.6 | -36.4 | -179.7 | -85.6 | -90.8 | 0 | 0 | 0 | 112.6 | M285 Y288 F289 P295 L303 L314 Q315 A321 R322 | M285-F318 HydrophobicContact CG-CE2 4.46Å; Y288-F318 AromaticContact CD1-CE1 3.9Å; Y288-F318 HydrophobicContact CD1-CE1 3.9Å; Y288-F318 AromaticContact CD1-CZ 3.85Å; Y288-F318 HydrophobicContact CD1-CZ 3.85Å; Y288-F318 HydrophobicContact CG-CZ 4.48Å; F289-F318 HydrophobicContact CB-CE1 4.07Å; F289-F318 AromaticContact CD2-CD1 3.69Å; F289-F318 HydrophobicContact CD2-CD1 3.69Å; F289-F318 AromaticContact CD2-CE1 3.78Å; F289-F318 HydrophobicContact CD2-CE1 3.78Å; F289-F318 HydrophobicContact CE2-CD1 4.35Å; F289-F318 HydrophobicContact CG-CE1 4.43Å; P295-F318 HydrophobicContact CG-CB 4.42Å; P295-F318 HydrophobicContact CG-CD1 3.54Å; P295-F318 HydrophobicContact CG-CD2 4.09Å; P295-F318 HydrophobicContact CG-CE1 3.73Å; P295-F318 HydrophobicContact CG-CE2 4.26Å; P295-F318 HydrophobicContact CG-CG 3.75Å; P295-F318 HydrophobicContact CG-CZ 4.1Å; L303-F318 HydrophobicContact CD1-CE2 3.91Å; L303-F318 HydrophobicContact CD1-CZ 3.91Å; L314-F318 WeakPolarHBondContact O-CD2 3.48Å; L314-F318 PolarHBondContact O-N 2.91Å; Q315-F318 PolarHBondContact O-N 3.1Å; F318-A321 PolarHBondContact O-N 3.24Å; F318-R322 WeakPolarHBondContact O-CG 3.46Å; F318-R322 PolarHBondContact O-N 3.1Å |
| 319 | Q | 94.7 | Very high | 92.4 | Very high | 107 Ų | 107 | 78.6 Ų | 78.6 | 50% | 0.5 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.1 | -48.2 | 170.6 | -75.2 | 167.5 | 0.5 | 0 | 0 | 111.7 | Q315 W317 R322 A323 | Q315-Q319 WeakPolarHBondContact O-CB 3.48Å; Q315-Q319 WeakPolarHBondContact O-CG 3.24Å; Q315-Q319 PolarHBondContact O-N 2.87Å; W317-Q319 PolarHBondContact O-N 3.37Å; Q319-R322 PolarHBondContact O-N 3.26Å; Q319-A323 WeakPolarHBondContact O-CB 3.33Å; Q319-A323 PolarHBondContact O-N 2.91Å |
| 320 | N | 95.6 | Very high | 90.9 | Very high | 101 Ų | 101 | 82.8 Ų | 82.8 | 54% | 0.54 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 177.5 | -79.9 | -64.7 | 0 | 0 | 0 | 112.6 | V316 W317 A323 K324 | V316-N320 WeakPolarHBondContact CG1-ND2 3.05Å; V316-N320 WeakPolarHBondContact O-CB 3.05Å; V316-N320 PolarHBondContact O-N 3.35Å; V316-N320 PolarHBondContact O-ND2 2.93Å; W317-N320 PolarHBondContact O-N 3.04Å; N320-A323 PolarHBondContact O-N 2.95Å; N320-K324 PolarHBondContact O-N 3.19Å |
| 321 | A | 94.4 | Very high | 89.5 | Confident | 18 Ų | 18 | 87 Ų | 87 | 15% | 0.149 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.3 | -49.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | F289 W317 F318 A323 K324 F325 | F289-A321 HydrophobicContact CD2-CB 3.76Å; F289-A321 HydrophobicContact CE2-CB 3.47Å; F289-A321 VanDerWaalsContact CE2-CB 3.47Å; F289-A321 HydrophobicContact CG-CB 4.5Å; F289-A321 HydrophobicContact CZ-CB 3.99Å; W317-A321 HydrophobicContact CE3-CB 4.1Å; W317-A321 HydrophobicContact CH2-CB 4.25Å; W317-A321 HydrophobicContact CZ3-CB 3.85Å; W317-A321 WeakPolarHBondContact O-CB 3.31Å; W317-A321 PolarHBondContact O-N 3.32Å; F318-A321 PolarHBondContact O-N 3.24Å; A321-A323 VanDerWaalsContact C-N 3.35Å; A321-A323 PolarHBondContact O-N 3.19Å; A321-K324 PolarHBondContact O-N 3.28Å; A321-K324 VanDerWaalsContact O-N 3.14Å; A321-F325 PolarHBondContact O-N 2.74Å |
| 322 | R | 95.5 | Very high | 87.8 | Confident | 59 Ų | 59 | 88.1 Ų | 88.1 | 22% | 0.223 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.8 | -40.3 | 173.3 | -69.7 | -167.6 | -64.8 | -93.5 | 10.3 | 112.9 | F289 H293 N294 F318 Q319 K324 F325 R326 | F289-R322 HydrophobicContact CE2-CG 3.87Å; F289-R322 HydrophobicContact CZ-CG 4.19Å; H293-R322 HydrophobicContact CB-CG 4.37Å; H293-R322 VanDerWaalsContact O-CD 3.31Å; H293-R322 WeakPolarHBondContact O-CD 3.38Å; H293-R322 PolarHBondContact O-NH1 3.4Å; N294-R322 WeakPolarHBondContact OD1-CD 3.39Å; N294-R322 PolarHBondContact OD1-NE 3.07Å; N294-R322 VanDerWaalsContact OD1-NE 3.1Å; N294-R322 PolarHBondContact OD1-NH1 2.82Å; F318-R322 WeakPolarHBondContact O-CG 3.46Å; F318-R322 PolarHBondContact O-N 3.1Å; Q319-R322 PolarHBondContact O-N 3.26Å; R322-K324 VanDerWaalsContact C-N 3.28Å; R322-K324 PolarHBondContact O-N 2.98Å; R322-F325 PolarHBondContact O-N 2.82Å; R322-R326 PolarHBondContact O-N 2.95Å |
| 323 | A | 92.9 | Very high | 85.8 | Confident | 34 Ų | 34 | 85.8 Ų | 85.8 | 28% | 0.281 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69.3 | -22.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q319 N320 A321 R327 | Q319-A323 WeakPolarHBondContact O-CB 3.33Å; Q319-A323 PolarHBondContact O-N 2.91Å; N320-A323 PolarHBondContact O-N 2.95Å; A321-A323 VanDerWaalsContact C-N 3.35Å; A321-A323 PolarHBondContact O-N 3.19Å; A323-R327 PolarHBondContact O-NE 3.18Å |
| 324 | K | 92.8 | Very high | 83.7 | Confident | 125 Ų | 125 | 90 Ų | 90 | 54% | 0.543 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -78.1 | -46.6 | 166.3 | -172 | -179 | 177.4 | -175.4 | 0 | 110.9 | N320 A321 R322 R326 R327 N328 | N320-K324 PolarHBondContact O-N 3.19Å; A321-K324 PolarHBondContact O-N 3.28Å; A321-K324 VanDerWaalsContact O-N 3.14Å; R322-K324 VanDerWaalsContact C-N 3.28Å; R322-K324 PolarHBondContact O-N 2.98Å; K324-R326 PolarHBondContact O-N 3.04Å; K324-R327 PolarHBondContact O-N 2.97Å; K324-R327 VanDerWaalsContact O-N 3.14Å; K324-N328 PolarHBondContact O-N 3.21Å; K324-N328 PolarHBondContact O-OD1 2.83Å |
| 325 | F | 91.5 | Very high | 81.4 | Confident | 92 Ų | 92 | 93 Ų | 93 | 40% | 0.404 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -54.7 | -51.1 | -180 | -175.1 | -98.2 | 0 | 0 | 0 | 112.1 | F289 H293 A321 R322 R327 N328 V329 | F289-F325 HydrophobicContact CE1-CD2 4.49Å; F289-F325 HydrophobicContact CZ-CB 4.27Å; H293-F325 AromaticContact CE1-CD1 4Å; H293-F325 AromaticContact CE1-CE1 3.71Å; H293-F325 AromaticContact CE1-CE2 3.91Å; H293-F325 AromaticContact CE1-CZ 3.67Å; A321-F325 PolarHBondContact O-N 2.74Å; R322-F325 PolarHBondContact O-N 2.82Å; F325-R327 VanDerWaalsContact C-N 3.3Å; F325-R327 PolarHBondContact O-N 2.93Å; F325-N328 WeakPolarHBondContact O-CB 3.43Å; F325-N328 PolarHBondContact O-N 2.93Å; F325-V329 HydrophobicContact CD1-CG2 4.06Å; F325-V329 HydrophobicContact CE1-CG2 3.63Å; F325-V329 HydrophobicContact CE2-CG2 4.31Å; F325-V329 HydrophobicContact CZ-CG2 3.77Å; F325-V329 WeakPolarHBondContact O-CG2 3.49Å; F325-V329 PolarHBondContact O-N 2.93Å |
| 326 | R | 91 | Very high | 78.6 | Confident | 164 Ų | 164 | 92.7 Ų | 92.7 | 62% | 0.619 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -59.8 | -35.1 | 177.8 | -68.1 | -163.5 | -58 | -97 | 3.8 | 114 | R322 K324 L330 | R322-R326 PolarHBondContact O-N 2.95Å; K324-R326 PolarHBondContact O-N 3.04Å; R326-L330 WeakPolarHBondContact O-CB 3.34Å; R326-L330 PolarHBondContact O-N 2.93Å |
| 327 | R | 84.6 | Confident | 75.9 | Confident | 164 Ų | 164 | 97.4 Ų | 97.4 | 62% | 0.619 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -73.3 | -32.2 | 175.5 | -75.2 | -178.5 | -66.8 | 136.6 | -3.6 | 112.6 | A323 K324 F325 R331 | A323-R327 PolarHBondContact O-NE 3.18Å; K324-R327 PolarHBondContact O-N 2.97Å; K324-R327 VanDerWaalsContact O-N 3.14Å; F325-R327 VanDerWaalsContact C-N 3.3Å; F325-R327 PolarHBondContact O-N 2.93Å; R327-R331 WeakPolarHBondContact O-CB 3.29Å; R327-R331 PolarHBondContact O-N 2.78Å |
| 328 | N | 81.1 | Confident | 73.7 | Confident | 90 Ų | 90 | 105.2 Ų | 105.2 | 48% | 0.481 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.3 | -45.2 | 172.3 | -82.1 | 37.9 | 0 | 0 | 0 | 111 | K324 F325 R331 Q332 | K324-N328 PolarHBondContact O-N 3.21Å; K324-N328 PolarHBondContact O-OD1 2.83Å; F325-N328 WeakPolarHBondContact O-CB 3.43Å; F325-N328 PolarHBondContact O-N 2.93Å; N328-R331 PolarHBondContact O-N 3.31Å; N328-Q332 PolarHBondContact O-N 3.37Å; N328-Q332 VanDerWaalsContact O-N 3.08Å |
| 329 | V | 77.6 | Confident | 70.8 | Confident | 53 Ų | 53 | 108.9 Ų | 108.9 | 32% | 0.321 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.3 | -50.6 | 176.3 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | F325 R331 Q332 E333 | F325-V329 HydrophobicContact CD1-CG2 4.06Å; F325-V329 HydrophobicContact CE1-CG2 3.63Å; F325-V329 HydrophobicContact CE2-CG2 4.31Å; F325-V329 HydrophobicContact CZ-CG2 3.77Å; F325-V329 WeakPolarHBondContact O-CG2 3.49Å; F325-V329 PolarHBondContact O-N 2.93Å; V329-R331 PolarHBondContact O-N 3.37Å; V329-Q332 CarbonylContact O-C 3.59Å; V329-Q332 WeakPolarHBondContact O-CA 3.4Å; V329-Q332 WeakPolarHBondContact O-CB 3.47Å; V329-Q332 PolarHBondContact O-N 3.01Å; V329-E333 HydrophobicContact CG1-CG 4.15Å; V329-E333 WeakPolarHBondContact O-CG 3.26Å; V329-E333 PolarHBondContact O-N 3.23Å |
| 330 | L | 63.1 | Low | 68 | Low | 112 Ų | 112 | 112.1 Ų | 112.1 | 59% | 0.586 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -57.7 | -35.4 | 177.2 | -175.2 | 63 | 0 | 0 | 0 | 112.6 | R326 Q332 N334 | R326-L330 WeakPolarHBondContact O-CB 3.34Å; R326-L330 PolarHBondContact O-N 2.93Å; L330-Q332 VanDerWaalsContact C-N 3.26Å; L330-Q332 PolarHBondContact O-N 2.75Å; L330-N334 WeakPolarHBondContact O-CB 3.29Å; L330-N334 PolarHBondContact O-N 3.5Å; L330-N334 VanDerWaalsContact O-N 3.16Å; L330-N334 PolarHBondContact O-OD1 2.86Å; L330-N334 VanDerWaalsContact O-OD1 3.12Å |
| 331 | R | 66.3 | Low | 65 | Low | 181 Ų | 181 | 110.1 Ų | 110.1 | 68% | 0.683 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -72.1 | -17.1 | 174.1 | -173.6 | 174.5 | 179 | -79.5 | -1.8 | 113.5 | R327 N328 V329 | R327-R331 WeakPolarHBondContact O-CB 3.29Å; R327-R331 PolarHBondContact O-N 2.78Å; N328-R331 PolarHBondContact O-N 3.31Å; V329-R331 PolarHBondContact O-N 3.37Å |
| 332 | Q | 56.5 | Low | 62.1 | Low | 114 Ų | 114 | 115.6 Ų | 115.6 | 53% | 0.533 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -92.1 | -41 | 175.4 | -170.5 | 166.2 | 2.4 | 0 | 0 | 111.4 | N328 V329 L330 N334 G335 N336 | N328-Q332 PolarHBondContact O-N 3.37Å; N328-Q332 VanDerWaalsContact O-N 3.08Å; V329-Q332 CarbonylContact O-C 3.59Å; V329-Q332 WeakPolarHBondContact O-CA 3.4Å; V329-Q332 WeakPolarHBondContact O-CB 3.47Å; V329-Q332 PolarHBondContact O-N 3.01Å; L330-Q332 VanDerWaalsContact C-N 3.26Å; L330-Q332 PolarHBondContact O-N 2.75Å; Q332-N334 VanDerWaalsContact C-N 3.27Å; Q332-N334 PolarHBondContact O-N 3Å; Q332-G335 CarbonylContact O-C 3.54Å; Q332-G335 VanDerWaalsContact O-C 3.32Å; Q332-G335 WeakPolarHBondContact O-CA 3.45Å; Q332-G335 PolarHBondContact O-N 3.07Å; Q332-N336 HydrophobicContact CG-CB 4.29Å; Q332-N336 VanDerWaalsContact O-CB 3.29Å; Q332-N336 WeakPolarHBondContact O-CB 3.42Å; Q332-N336 PolarHBondContact O-N 3.36Å |
| 333 | E | 52 | Low | 59.4 | Low | 142 Ų | 142 | 118.1 Ų | 118.1 | 66% | 0.664 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -54.5 | -45 | 169.7 | -61.3 | -67.5 | 97.3 | 0 | 0 | 110.7 | V329 G335 | V329-E333 HydrophobicContact CG1-CG 4.15Å; V329-E333 WeakPolarHBondContact O-CG 3.26Å; V329-E333 PolarHBondContact O-N 3.23Å; E333-G335 PolarHBondContact O-N 2.76Å |
| 334 | N | 49.3 | Very low | 56.6 | Low | 140 Ų | 140 | 124.2 Ų | 124.2 | 75% | 0.749 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 16.1 | 173 | -78.7 | 109 | 0 | 0 | 0 | 114.8 | L330 Q332 | L330-N334 WeakPolarHBondContact O-CB 3.29Å; L330-N334 PolarHBondContact O-N 3.5Å; L330-N334 VanDerWaalsContact O-N 3.16Å; L330-N334 PolarHBondContact O-OD1 2.86Å; L330-N334 VanDerWaalsContact O-OD1 3.12Å; Q332-N334 VanDerWaalsContact C-N 3.27Å; Q332-N334 PolarHBondContact O-N 3Å |
| 335 | G | 48.4 | Very low | 54.2 | Low | 64 Ų | 64 | 123.6 Ų | 123.6 | 66% | 0.66 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -159.7 | 15.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | Q332 E333 | Q332-G335 CarbonylContact O-C 3.54Å; Q332-G335 VanDerWaalsContact O-C 3.32Å; Q332-G335 WeakPolarHBondContact O-CA 3.45Å; Q332-G335 PolarHBondContact O-N 3.07Å; E333-G335 PolarHBondContact O-N 2.76Å |
| 336 | N | 36.8 | Very low | 52 | Low | 78 Ų | 78 | 124.9 Ų | 124.9 | 42% | 0.417 | 68% | 0.679 | S | S | . | * | trans | -124.3 | 24.9 | -173.9 | -151.7 | 100.4 | 0 | 0 | 0 | 115.1 | Q332 K338 | Q332-N336 HydrophobicContact CG-CB 4.29Å; Q332-N336 VanDerWaalsContact O-CB 3.29Å; Q332-N336 WeakPolarHBondContact O-CB 3.42Å; Q332-N336 PolarHBondContact O-N 3.36Å; N336-K338 PolarHBondContact O-N 3.18Å | ||
| 337 | D | 37.7 | Very low | 49.6 | Very low | 166 Ų | 166 | 123.3 Ų | 123.3 | 89% | 0.888 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -77.7 | 56.3 | 160.9 | -84.7 | -55.8 | 0 | 0 | 0 | 111.5 | ||
| 338 | K | 48.3 | Very low | 47.3 | Very low | 203 Ų | 203 | 121.6 Ų | 121.6 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 171.1 | 86.5 | 158 | -101.6 | 170.9 | -179.6 | 178.9 | 0 | 111.7 | N336 | N336-K338 PolarHBondContact O-N 3.18Š|
| 339 | A | 37 | Very low | 45.4 | Very low | 79 Ų | 79 | 122.9 Ų | 122.9 | 65% | 0.653 | 72% | 0.718 | S | S | * | * | trans | -169.7 | 87.2 | 152 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 340 | D | 35.1 | Very low | 43.1 | Very low | 175 Ų | 175 | 127.9 Ų | 127.9 | 94% | 0.936 | 74% | 0.744 | S | S | * | * | trans | -146.8 | 151.8 | 140.4 | -166.6 | -103.2 | 0 | 0 | 0 | 108.4 | ||||
| 341 | G | 33.9 | Very low | 42 | Very low | 59 Ų | 59 | 128 Ų | 128 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | trans | 146.6 | 79.2 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 342 | T | 33.6 | Very low | 40.3 | Very low | 134 Ų | 134 | 123.3 Ų | 123.3 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | 76.3 | 123.1 | 158.6 | -51.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 343 | S | 38.8 | Very low | 39.2 | Very low | 111 Ų | 111 | 122.5 Ų | 122.5 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | -112.4 | 138.6 | 168.9 | 51.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 344 | L | 32.9 | Very low | 38.2 | Very low | 163 Ų | 163 | 123.8 Ų | 123.8 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -145.2 | 154.7 | 167.2 | -79.7 | -178.1 | 0 | 0 | 0 | 111.1 | ||||
| 345 | P | 42.3 | Very low | 37.8 | Very low | 112 Ų | 112 | 123 Ų | 123 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 170.1 | -170.8 | 34.9 | -36.7 | 0 | 0 | 0 | 114.6 | ||
| 346 | P | 45.2 | Very low | 38.4 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 160 | -165.6 | 37.4 | -36.6 | 0 | 0 | 0 | 115.3 | ||
| 347 | P | 40.4 | Very low | 39.4 | Very low | 131 Ų | 131 | 126.8 Ų | 126.8 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 148.1 | 165 | 35.1 | -33 | 0 | 0 | 0 | 112.3 | ||
| 348 | S | 36.7 | Very low | 39.1 | Very low | 127 Ų | 127 | 124.2 Ų | 124.2 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 154.5 | 169.4 | 50.2 | 0 | 0 | 0 | 0 | 111.8 | ||
| 349 | S | 41.4 | Very low | 38.3 | Very low | 117 Ų | 117 | 120.1 Ų | 120.1 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 144.7 | -177.3 | 54.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 350 | D | 30 | Very low | 38.1 | Very low | 159 Ų | 159 | 121.2 Ų | 121.2 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -156.4 | 177 | 133.8 | -156.4 | 7.2 | 0 | 0 | 0 | 111.4 | ||||
| 351 | S | 40 | Very low | 37.9 | Very low | 114 Ų | 114 | 117 Ų | 117 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -143 | 135.6 | -179.7 | -66.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 352 | G | 30.7 | Very low | 37.7 | Very low | 83 Ų | 83 | 120.2 Ų | 120.2 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | -171.5 | 147.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 353 | A | 32.5 | Very low | 37.6 | Very low | 96 Ų | 96 | 120.6 Ų | 120.6 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | -120.4 | 159 | -176 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 354 | L | 31.7 | Very low | 37.4 | Very low | 169 Ų | 169 | 121.1 Ų | 121.1 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | trans | -176.5 | 167.8 | 131.1 | -97.1 | 169.9 | 0 | 0 | 0 | 110.8 | ||||
| 355 | T | 39.4 | Very low | 37.1 | Very low | 125 Ų | 125 | 119.6 Ų | 119.6 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | trans | -147.8 | 178.1 | -169.6 | 51 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 356 | P | 61.3 | Low | 36.5 | Very low | 115 Ų | 115 | 120.8 Ų | 120.8 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | cis | -125 | -126.3 | -41.9 | 36.8 | -17.4 | 0 | 0 | 0 | 107.9 | ||||
| 357 | P | 57.8 | Low | 36.1 | Very low | 105 Ų | 105 | 121.9 Ų | 121.9 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | cis | -122.5 | 173.5 | -46.7 | 38.1 | -24.5 | 0 | 0 | 0 | 113.6 | ||||
| 358 | S | 31.7 | Very low | 35.6 | Very low | 113 Ų | 113 | 122.8 Ų | 122.8 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | 177.3 | 151.7 | 119 | -79.6 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 359 | S | 32.6 | Very low | 36.3 | Very low | 116 Ų | 116 | 121.4 Ų | 121.4 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | -47.5 | 157.5 | 167 | 46.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 360 | A | 31.7 | Very low | 35.8 | Very low | 103 Ų | 103 | 120.7 Ų | 120.7 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | cis | -153.6 | -168.2 | 48.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 361 | A | 30.3 | Very low | 35.9 | Very low | 86 Ų | 86 | 119.8 Ų | 119.8 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | -139.9 | 167.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 362 | T | 31.2 | Very low | 35.4 | Very low | 126 Ų | 126 | 120.1 Ų | 120.1 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | 88.6 | 142.4 | 153.2 | -5.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 363 | L | 30.1 | Very low | 35.3 | Very low | 143 Ų | 143 | 121.8 Ų | 121.8 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | trans | 78.7 | 119.6 | 156.4 | -58.5 | -178.4 | 0 | 0 | 0 | 121.5 | ||||
| 364 | T | 34.7 | Very low | 35.1 | Very low | 122 Ų | 122 | 123.1 Ų | 123.1 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | 62 | 156.5 | 134.8 | 60.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 365 | D | 27.5 | Very low | 34.9 | Very low | 131 Ų | 131 | 121 Ų | 121 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | cis | -143.2 | -161.2 | -1.6 | -155.2 | -111.3 | 0 | 0 | 0 | 111.4 | ||||
| 366 | L | 29.5 | Very low | 34.5 | Very low | 136 Ų | 136 | 120.6 Ų | 120.6 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | trans | -61.4 | 139.6 | 173.6 | -78.7 | 56.1 | 0 | 0 | 0 | 112.1 | ||||
| 367 | T | 36.4 | Very low | 33.1 | Very low | 143 Ų | 143 | 121 Ų | 121 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | -173.5 | 130 | 108.5 | 21 | 0 | 0 | 0 | 0 | 114 | |||||
| 368 | N | 30.7 | Very low | 31.9 | Very low | 149 Ų | 149 | 122.9 Ų | 122.9 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | -84.8 | 170.6 | 150.3 | -144.8 | 23.4 | 0 | 0 | 0 | 106.4 | ||||
| 369 | P | 51.3 | Low | 31.9 | Very low | 98 Ų | 98 | 122.6 Ų | 122.6 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | cis | -141.3 | -169 | 11.1 | 39.2 | -17.2 | 0 | 0 | 0 | 116.2 | ||||
| 370 | S | 30.4 | Very low | 31.9 | Very low | 103 Ų | 103 | 122 Ų | 122 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | trans | 98.9 | 145.4 | 148.3 | -63.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 371 | I | 32.4 | Very low | 32 | Very low | 139 Ų | 139 | 124.5 Ų | 124.5 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | cis | 174.5 | 144.1 | -31.1 | -108.3 | -84.4 | 0 | 0 | 0 | 105.6 | ||||
| 372 | T | 30.4 | Very low | 32.1 | Very low | 121 Ų | 121 | 126.1 Ų | 126.1 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | 62.2 | 158.9 | 167.4 | 45.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 373 | V | 27.4 | Very low | 32.1 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | cis | -167.4 | 174.9 | -35.7 | 107.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 374 | V | 27.9 | Very low | 32.3 | Very low | 123 Ų | 123 | 126.1 Ų | 126.1 | 75% | 0.745 | 75% | 0.75 | S | S | * | * | trans | 60.6 | 137.5 | 177.8 | -68.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 375 | T | 28.1 | Very low | 32.2 | Very low | 126 Ų | 126 | 127 Ų | 127 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | cis | 77.9 | 104.2 | 34.7 | -50.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 376 | S | 31.1 | Very low | 32.4 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | -178.3 | 162.5 | 121.7 | 42.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 377 | V | 31.1 | Very low | 32.4 | Very low | 124 Ų | 124 | 122.7 Ų | 122.7 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | trans | -36.7 | 153.6 | 178.3 | -65.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 378 | T | 32.8 | Very low | 32.3 | Very low | 143 Ų | 143 | 121.5 Ų | 121.5 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | -143.1 | 152.6 | 117.3 | 47.6 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 379 | S | 31.9 | Very low | 33.2 | Very low | 108 Ų | 108 | 120.1 Ų | 120.1 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | -140.5 | 144.4 | 171.3 | -50 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 380 | S | 32.7 | Very low | 32.4 | Very low | 104 Ų | 104 | 120.1 Ų | 120.1 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | 163.3 | 136.6 | 146.4 | -82.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 381 | L | 33.9 | Very low | 32.6 | Very low | 154 Ų | 154 | 124 Ų | 124 | 81% | 0.806 | 76% | 0.76 | S | S | * | * | 53.1 | 151.3 | 124.8 | -55.2 | 172 | 0 | 0 | 0 | 120.6 | |||||
| 382 | D | 31.8 | Very low | 32.9 | Very low | 121 Ų | 121 | 124.4 Ų | 124.4 | 65% | 0.647 | 77% | 0.769 | S | S | * | * | cis | -169.2 | 176.2 | -22.1 | -166.2 | -97 | 0 | 0 | 0 | 107.5 | H384 | D382-H384 IonicContact OD1-CD2 3.43Š| ||
| 383 | S | 31 | Very low | 33.4 | Very low | 105 Ų | 105 | 125.3 Ų | 125.3 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | 128 | 103.5 | 155.7 | -53.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 384 | H | 34.2 | Very low | 33.9 | Very low | 164 Ų | 164 | 126.8 Ų | 126.8 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | 2.3 | 155 | 112.3 | -67.4 | -80.7 | 0 | 0 | 0 | 118.5 | D382 | D382-H384 IonicContact OD1-CD2 3.43Š| |||
| 385 | D | 32.6 | Very low | 34.6 | Very low | 141 Ų | 141 | 126.2 Ų | 126.2 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | cis | -169.6 | -165.7 | -16.4 | -165.4 | -140.1 | 0 | 0 | 0 | 104.9 | ||||
| 386 | S | 32.6 | Very low | 35 | Very low | 98 Ų | 98 | 126.3 Ų | 126.3 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | cis | -157.6 | 162 | 9.2 | -59.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 387 | G | 29.7 | Very low | 35.3 | Very low | 77 Ų | 77 | 127.1 Ų | 127.1 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | 96.5 | 128.3 | 138.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 388 | S | 34.5 | Very low | 35.9 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -102.1 | 166.9 | 158 | -53 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 389 | P | 49.3 | Very low | 36 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | -151.4 | 158.2 | 111 | 37.6 | -21 | 0 | 0 | 0 | 118 | |||||
| 390 | S | 34.2 | Very low | 36.2 | Very low | 99 Ų | 99 | 134.6 Ų | 134.6 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | trans | 56.3 | 108.6 | 141.2 | -63.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 391 | Q | 35.2 | Very low | 36.4 | Very low | 183 Ų | 183 | 136.3 Ų | 136.3 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | 46.9 | 125.4 | 120.1 | -61.3 | -176.8 | 93.4 | 0 | 0 | 121.9 | |||||
| 392 | T | 38.7 | Very low | 36.6 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 91% | 0.908 | 78% | 0.782 | S | S | * | * | trans | -139.5 | 153.7 | 142.8 | 39.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 393 | T | 41.2 | Very low | 36.9 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | trans | -58.2 | 164 | -164.6 | -49.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 394 | L | 38.1 | Very low | 37.3 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | trans | -78 | 177.8 | 177.4 | -104.5 | 170.3 | 0 | 0 | 0 | 115.9 | ||||
| 395 | T | 41.8 | Very low | 37.5 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 69% | 0.687 | 80% | 0.797 | S | S | * | * | trans | 72.3 | 150 | 159.7 | 40 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 396 | N | 36.3 | Very low | 37.9 | Very low | 127 Ų | 127 | 136 Ų | 136 | 68% | 0.679 | 80% | 0.8 | S | S | * | * | cis | -156.1 | 155.9 | 13.6 | -133.5 | -17 | 0 | 0 | 0 | 112.9 | ||||
| 397 | L | 38.6 | Very low | 38.3 | Very low | 133 Ų | 133 | 139.2 Ų | 139.2 | 70% | 0.696 | 81% | 0.81 | S | S | * | * | trans | 56.8 | 140.4 | 157.8 | -60.1 | 160.6 | 0 | 0 | 0 | 118.1 | ||||
| 398 | F | 42.4 | Very low | 39.1 | Very low | 263 Ų | 263 | 144.8 Ų | 144.8 | 100% | 1.154 | 81% | 0.811 | S | S | * | * | cis | -124.6 | 0 | 15.1 | -93.5 | -97.3 | 0 | 0 | 0 | 112.6 |
Retrieved 398 of 398 residues in 852.1 ms
(Link to these results)