| 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 | V | 36.9 | Very low | 42.8 | Very low | 207 Ų | 207 | 131.5 Ų | 131.5 | 100% | 1.255 | 80% | 0.8 | S | S | * | * | 0 | 142 | 0 | 178.7 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 2 | K | 36.7 | Very low | 43.1 | Very low | 187 Ų | 187 | 138.8 Ų | 138.8 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -88.5 | 172.9 | -164.2 | -167.6 | 169.8 | -173.6 | 173.1 | 0 | 111.9 | ||||
| 3 | L | 32.5 | Very low | 43.4 | Very low | 167 Ų | 167 | 136 Ų | 136 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | 93.3 | 124.4 | 171.1 | -69.9 | 93.6 | 0 | 0 | 0 | 114.9 | ||||
| 4 | G | 34.7 | Very low | 43.7 | Very low | 69 Ų | 69 | 132.9 Ų | 132.9 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | cis | 119.2 | 105.3 | 8.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 5 | M | 41.1 | Very low | 44 | Very low | 194 Ų | 194 | 133.5 Ų | 133.5 | 96% | 0.956 | 77% | 0.771 | S | S | * | * | trans | -143.8 | 93.7 | 163.2 | -74.5 | -177.7 | 67.3 | 0 | 0 | 109.4 | ||||
| 6 | G | 39 | Very low | 44.2 | Very low | 75 Ų | 75 | 132 Ų | 132 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | -72.3 | 147.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 7 | S | 44.9 | Very low | 44.3 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | -54.4 | 127.6 | -176.8 | 178.7 | 0 | 0 | 0 | 0 | 114.3 | S9 | S7-S9 PolarHBondContact O-N 2.83Š| ||
| 8 | L | 52.2 | Low | 44.1 | Very low | 151 Ų | 151 | 131.4 Ų | 131.4 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 7.2 | 174.8 | -89.3 | 142.9 | 0 | 0 | 0 | 115.1 | ||
| 9 | S | 50.9 | Low | 44.1 | Very low | 94 Ų | 94 | 132.3 Ų | 132.3 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -17.7 | -179.3 | -179.5 | 0 | 0 | 0 | 0 | 114.4 | S7 | S7-S9 PolarHBondContact O-N 2.83Š|
| 10 | A | 52.3 | Low | 44 | Very low | 70 Ų | 70 | 132.1 Ų | 132.1 | 58% | 0.579 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -91 | -10.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 11 | L | 49.1 | Very low | 44.1 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 70% | 0.696 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -92.4 | -10.8 | -175.2 | -95.1 | 143.4 | 0 | 0 | 0 | 114.4 | ||
| 12 | R | 47.2 | Very low | 44.4 | Very low | 218 Ų | 218 | 124.6 Ų | 124.6 | 82% | 0.823 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -89.7 | -18.7 | 176.6 | -79.5 | -171.5 | 168.4 | -159.1 | -2.5 | 114.4 | ||
| 13 | T | 47.2 | Very low | 44.7 | Very low | 103 Ų | 103 | 123.9 Ų | 123.9 | 63% | 0.632 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -87.5 | -19 | -180 | 29.9 | 0 | 0 | 0 | 0 | 114 | ||
| 14 | V | 47.8 | Very low | 45.4 | Very low | 93 Ų | 93 | 120.9 Ų | 120.9 | 56% | 0.564 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -21.4 | 178.5 | -178.9 | 0 | 0 | 0 | 0 | 112.6 | N18 | V14-N18 PolarHBondContact O-ND2 3.34Š|
| 15 | L | 47.1 | Very low | 45.6 | Very low | 141 Ų | 141 | 120.4 Ų | 120.4 | 74% | 0.738 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -18.5 | -179.2 | -135.1 | 105.8 | 0 | 0 | 0 | 113.8 | ||
| 16 | V | 47.6 | Very low | 45.4 | Very low | 110 Ų | 110 | 117.7 Ų | 117.7 | 67% | 0.667 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -22.2 | 178.5 | -174 | 0 | 0 | 0 | 0 | 111.9 | ||
| 17 | L | 45.7 | Very low | 45.4 | Very low | 142 Ų | 142 | 118.5 Ų | 118.5 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -12 | 178.7 | -157.9 | 67.4 | 0 | 0 | 0 | 113.9 | ||
| 18 | N | 41 | Very low | 45.1 | Very low | 112 Ų | 112 | 120 Ų | 120 | 60% | 0.599 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 1.8 | 177.8 | -75.5 | -66.8 | 0 | 0 | 0 | 114.5 | V14 | V14-N18 PolarHBondContact O-ND2 3.34Š|
| 19 | L | 43.9 | Very low | 44.7 | Very low | 147 Ų | 147 | 116.4 Ų | 116.4 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -100.3 | -0.1 | 177.2 | -156.5 | 70.3 | 0 | 0 | 0 | 113.8 | ||
| 20 | V | 43.1 | Very low | 44.2 | Very low | 129 Ų | 129 | 118.4 Ų | 118.4 | 78% | 0.782 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -104.4 | -4.2 | 175.5 | -164.1 | 0 | 0 | 0 | 0 | 112.3 | ||
| 21 | T | 46.1 | Very low | 43.8 | Very low | 106 Ų | 106 | 122.6 Ų | 122.6 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -98 | 17.3 | 177 | 42.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 22 | A | 41.8 | Very low | 43.6 | Very low | 75 Ų | 75 | 118.5 Ų | 118.5 | 62% | 0.62 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -118.9 | 29.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 23 | L | 43.4 | Very low | 43.9 | Very low | 173 Ų | 173 | 111.2 Ų | 111.2 | 91% | 0.906 | 71% | 0.709 | S | S | * | * | trans | -124.9 | 31.3 | 162.5 | -68 | 176.4 | 0 | 0 | 0 | 111.9 | G25 | L23-G25 VanDerWaalsContact C-N 3.28Å; L23-G25 PolarHBondContact O-N 3.35Å | ||
| 24 | A | 46.8 | Very low | 44.1 | Very low | 104 Ų | 104 | 109.5 Ų | 109.5 | 86% | 0.86 | 71% | 0.705 | S | S | * | * | trans | -75.2 | 84.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 25 | G | 39.3 | Very low | 44.3 | Very low | 58 Ų | 58 | 112.4 Ų | 112.4 | 60% | 0.598 | 71% | 0.713 | S | S | * | * | trans | -160.7 | 102 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L23 | L23-G25 VanDerWaalsContact C-N 3.28Å; L23-G25 PolarHBondContact O-N 3.35Å | ||
| 26 | C | 38 | Very low | 44.4 | Very low | 138 Ų | 138 | 114.4 Ų | 114.4 | 93% | 0.932 | 71% | 0.711 | S | S | * | * | trans | 80.8 | 94.7 | 156.4 | -53 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 27 | A | 37.4 | Very low | 44.3 | Very low | 91 Ų | 91 | 116.8 Ų | 116.8 | 75% | 0.752 | 71% | 0.708 | S | S | * | * | trans | -161.6 | 137 | 139.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 28 | P | 39.1 | Very low | 44.9 | Very low | 131 Ų | 131 | 113.1 Ų | 113.1 | 85% | 0.851 | 69% | 0.687 | S | S | * | * | trans | -82.8 | 147 | -177.4 | 33.4 | -32.8 | 0 | 0 | 0 | 112.7 | ||||
| 29 | G | 43.3 | Very low | 45.5 | Very low | 76 Ų | 76 | 110.4 Ų | 110.4 | 78% | 0.784 | 68% | 0.68 | S | S | * | * | trans | 83.8 | 56.8 | 151 | 0 | 0 | 0 | 0 | 0 | 118.6 | N31 | G29-N31 PolarHBondContact O-N 3.05Š| ||
| 30 | L | 41.3 | Very low | 46 | Very low | 137 Ų | 137 | 107.2 Ų | 107.2 | 72% | 0.717 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 59 | 172.5 | -91.3 | 156.9 | 0 | 0 | 0 | 112.8 | T33 | L30-T33 HydrophobicContact CD2-CG2 3.49Å; L30-T33 VanDerWaalsContact CD2-CG2 3.49Å |
| 31 | N | 43.3 | Very low | 46.6 | Very low | 157 Ų | 157 | 107.9 Ų | 107.9 | 84% | 0.84 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -5 | 163.9 | -83.8 | -3.7 | 0 | 0 | 0 | 112.8 | G29 | G29-N31 PolarHBondContact O-N 3.05Š|
| 32 | G | 45.7 | Very low | 47 | Very low | 48 Ų | 48 | 104.2 Ų | 104.2 | 50% | 0.495 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -99.5 | -3.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | R36 | G32-R36 WeakPolarHBondContact O-CB 3.1Š|
| 33 | T | 53.2 | Low | 47.7 | Very low | 65 Ų | 65 | 109.8 Ų | 109.8 | 40% | 0.399 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -84.2 | -41.2 | -175.8 | 47.1 | 0 | 0 | 0 | 0 | 112.5 | L30 E35 R36 W37 | L30-T33 HydrophobicContact CD2-CG2 3.49Å; L30-T33 VanDerWaalsContact CD2-CG2 3.49Å; T33-E35 PolarHBondContact O-N 2.93Å; T33-R36 PolarHBondContact O-N 2.92Å; T33-W37 PolarHBondContact O-N 3.27Å |
| 34 | A | 51.7 | Low | 47.8 | Very low | 66 Ų | 66 | 104.8 Ų | 104.8 | 55% | 0.545 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -59.8 | -46.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R36 W37 E38 | A34-R36 VanDerWaalsContact C-N 3.32Å; A34-R36 PolarHBondContact O-N 3.36Å; A34-W37 PolarHBondContact O-N 3.37Å; A34-E38 WeakPolarHBondContact O-CB 3.32Å; A34-E38 WeakPolarHBondContact O-CG 2.92Å; A34-E38 PolarHBondContact O-N 3.38Å |
| 35 | E | 52.3 | Low | 48 | Very low | 155 Ų | 155 | 104.1 Ų | 104.1 | 72% | 0.724 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.1 | -36.3 | 178.6 | -60.8 | -158.9 | 154 | 0 | 0 | 112.8 | T33 E38 A39 | T33-E35 PolarHBondContact O-N 2.93Å; E35-E38 PolarHBondContact O-N 3.45Å; E35-A39 WeakPolarHBondContact O-CB 3.21Å; E35-A39 PolarHBondContact O-N 2.92Å |
| 36 | R | 49 | Very low | 48.6 | Very low | 183 Ų | 183 | 105.2 Ų | 105.2 | 69% | 0.691 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.2 | -43 | 176.6 | -178.8 | 174.8 | 176.2 | 173.3 | -1.6 | 112.1 | G32 T33 A34 L40 | G32-R36 WeakPolarHBondContact O-CB 3.1Å; T33-R36 PolarHBondContact O-N 2.92Å; A34-R36 VanDerWaalsContact C-N 3.32Å; A34-R36 PolarHBondContact O-N 3.36Å; R36-L40 VanDerWaalsContact O-CG 3.29Å; R36-L40 WeakPolarHBondContact O-CG 3.02Å; R36-L40 PolarHBondContact O-N 3.19Å |
| 37 | W | 44.8 | Very low | 49.1 | Very low | 159 Ų | 159 | 109 Ų | 109 | 60% | 0.602 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.7 | -37.6 | 175.7 | -69.7 | 116.2 | 0 | 0 | 0 | 111.4 | T33 A34 L40 Y41 | T33-W37 PolarHBondContact O-N 3.27Å; A34-W37 PolarHBondContact O-N 3.37Å; W37-L40 HydrophobicContact CE3-CD1 4.02Å; W37-L40 HydrophobicContact CZ3-CD1 4.25Å; W37-L40 CarbonylContact O-C 3.58Å; W37-L40 WeakPolarHBondContact O-CA 3.48Å; W37-L40 WeakPolarHBondContact O-CB 2.94Å; W37-L40 PolarHBondContact O-N 3.16Å; W37-L40 VanDerWaalsContact O-N 3.14Å; W37-Y41 HydrophobicContact CB-CD2 4.39Å; W37-Y41 HydrophobicContact CB-CE2 4.22Å; W37-Y41 WeakPolarHBondContact O-CD2 3.34Å; W37-Y41 PolarHBondContact O-N 3.07Å |
| 38 | E | 58.8 | Low | 49.4 | Very low | 66 Ų | 66 | 111.2 Ų | 111.2 | 31% | 0.308 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.9 | -35.1 | 178 | -68.7 | -83.6 | -143.1 | 0 | 0 | 113.3 | A34 E35 L40 Y41 S42 R98 | A34-E38 WeakPolarHBondContact O-CB 3.32Å; A34-E38 WeakPolarHBondContact O-CG 2.92Å; A34-E38 PolarHBondContact O-N 3.38Å; E35-E38 PolarHBondContact O-N 3.45Å; E38-L40 VanDerWaalsContact C-N 3.3Å; E38-Y41 PolarHBondContact O-N 2.98Å; E38-S42 WeakPolarHBondContact O-CB 3.26Å; E38-S42 PolarHBondContact O-N 3.14Å; E38-S42 PolarHBondContact O-OG 3.43Å; E38-R98 IonicContact OE1-CZ 2.63Å; E38-R98 IonicContact OE1-NH1 3.66Å; E38-R98 PolarHBondContact OE1-NH1 3.32Å |
| 39 | A | 54.1 | Low | 49.9 | Very low | 54 Ų | 54 | 110.8 Ų | 110.8 | 45% | 0.446 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.8 | -35.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E35 R43 | E35-A39 WeakPolarHBondContact O-CB 3.21Å; E35-A39 PolarHBondContact O-N 2.92Å; A39-R43 WeakPolarHBondContact O-CG 3.46Å; A39-R43 PolarHBondContact O-N 3.21Å |
| 40 | L | 53.4 | Low | 50.4 | Low | 81 Ų | 81 | 110.5 Ų | 110.5 | 42% | 0.424 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -72.7 | -37.6 | 173.7 | -66.7 | 170.9 | 0 | 0 | 0 | 112 | R36 W37 E38 R43 S44 | R36-L40 VanDerWaalsContact O-CG 3.29Å; R36-L40 WeakPolarHBondContact O-CG 3.02Å; R36-L40 PolarHBondContact O-N 3.19Å; W37-L40 HydrophobicContact CE3-CD1 4.02Å; W37-L40 HydrophobicContact CZ3-CD1 4.25Å; W37-L40 CarbonylContact O-C 3.58Å; W37-L40 WeakPolarHBondContact O-CA 3.48Å; W37-L40 WeakPolarHBondContact O-CB 2.94Å; W37-L40 PolarHBondContact O-N 3.16Å; W37-L40 VanDerWaalsContact O-N 3.14Å; E38-L40 VanDerWaalsContact C-N 3.3Å; L40-R43 CarbonylContact O-C 3.41Å; L40-R43 WeakPolarHBondContact O-CA 3.32Å; L40-R43 WeakPolarHBondContact O-CB 3.45Å; L40-R43 PolarHBondContact O-N 3.11Å; L40-R43 VanDerWaalsContact O-N 3.14Å; L40-S44 PolarHBondContact O-N 2.98Å |
| 41 | Y | 55.6 | Low | 50.5 | Low | 142 Ų | 142 | 113.2 Ų | 113.2 | 56% | 0.557 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.2 | -40.4 | 172.9 | -79.8 | -67.3 | 0 | 0 | 0 | 112.3 | W37 E38 R43 S44 L45 | W37-Y41 HydrophobicContact CB-CD2 4.39Å; W37-Y41 HydrophobicContact CB-CE2 4.22Å; W37-Y41 WeakPolarHBondContact O-CD2 3.34Å; W37-Y41 PolarHBondContact O-N 3.07Å; E38-Y41 PolarHBondContact O-N 2.98Å; Y41-R43 PolarHBondContact O-N 3.11Å; Y41-S44 WeakPolarHBondContact CA-OG 3.33Å; Y41-S44 PolarHBondContact O-N 3.05Å; Y41-S44 VanDerWaalsContact O-N 3.17Å; Y41-S44 PolarHBondContact O-OG 3.35Å; Y41-L45 PolarHBondContact O-N 2.8Å; Y41-L45 VanDerWaalsContact O-N 3.14Å |
| 42 | S | 54.8 | Low | 50.4 | Low | 30 Ų | 30 | 115.7 Ų | 115.7 | 21% | 0.21 | 60% | 0.6 | C | S | . | * | H | α-helix | trans | -60.7 | -33 | 172.5 | -58.9 | 0 | 0 | 0 | 0 | 112 | E38 | E38-S42 WeakPolarHBondContact O-CB 3.26Å; E38-S42 PolarHBondContact O-N 3.14Å; E38-S42 PolarHBondContact O-OG 3.43Å |
| 43 | R | 55.5 | Low | 50.4 | Low | 192 Ų | 192 | 122.1 Ų | 122.1 | 73% | 0.725 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -76.8 | -32.1 | 174.5 | -79.1 | 178.5 | 165 | -151.8 | -2.7 | 113.2 | A39 L40 Y41 A46 | A39-R43 WeakPolarHBondContact O-CG 3.46Å; A39-R43 PolarHBondContact O-N 3.21Å; L40-R43 CarbonylContact O-C 3.41Å; L40-R43 WeakPolarHBondContact O-CA 3.32Å; L40-R43 WeakPolarHBondContact O-CB 3.45Å; L40-R43 PolarHBondContact O-N 3.11Å; L40-R43 VanDerWaalsContact O-N 3.14Å; Y41-R43 PolarHBondContact O-N 3.11Å; R43-A46 WeakPolarHBondContact O-CB 3.49Å |
| 44 | S | 47.4 | Very low | 50.2 | Low | 67 Ų | 67 | 126.8 Ų | 126.8 | 47% | 0.469 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -81 | -29 | -176.2 | 66.5 | 0 | 0 | 0 | 0 | 113.9 | L40 Y41 A46 R47 | L40-S44 PolarHBondContact O-N 2.98Å; Y41-S44 WeakPolarHBondContact CA-OG 3.33Å; Y41-S44 PolarHBondContact O-N 3.05Å; Y41-S44 VanDerWaalsContact O-N 3.17Å; Y41-S44 PolarHBondContact O-OG 3.35Å; S44-A46 PolarHBondContact O-N 2.88Å; S44-A46 VanDerWaalsContact O-N 3.11Å; S44-R47 PolarHBondContact O-N 2.76Å |
| 45 | L | 51 | Low | 50 | Low | 90 Ų | 90 | 131.7 Ų | 131.7 | 47% | 0.471 | 64% | 0.638 | S | S | . | * | G | 310 helix | trans | -64.5 | -11.3 | 174 | -74.7 | 174.6 | 0 | 0 | 0 | 113.9 | Y41 R47 I48 L69 | Y41-L45 PolarHBondContact O-N 2.8Å; Y41-L45 VanDerWaalsContact O-N 3.14Å; L45-R47 PolarHBondContact O-N 2.91Å; L45-R47 VanDerWaalsContact O-N 3.11Å; L45-I48 HydrophobicContact CD2-CD1 4.42Å; L45-L69 HydrophobicContact CB-CD1 3.61Å |
| 46 | A | 52 | Low | 49.8 | Very low | 81 Ų | 81 | 130.1 Ų | 130.1 | 67% | 0.669 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -67.2 | -2.5 | 172 | 0 | 0 | 0 | 0 | 0 | 113.9 | R43 S44 | R43-A46 WeakPolarHBondContact O-CB 3.49Å; S44-A46 PolarHBondContact O-N 2.88Å; S44-A46 VanDerWaalsContact O-N 3.11Å |
| 47 | R | 47.7 | Very low | 49.9 | Very low | 218 Ų | 218 | 125.9 Ų | 125.9 | 82% | 0.823 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -143 | 41.7 | -167.7 | -147.7 | -173 | -144 | 154.3 | 5.4 | 116.6 | S44 L45 P49 | S44-R47 PolarHBondContact O-N 2.76Å; L45-R47 PolarHBondContact O-N 2.91Å; L45-R47 VanDerWaalsContact O-N 3.11Å; R47-P49 VanDerWaalsContact O-CD 3.26Å; R47-P49 WeakPolarHBondContact O-CD 2.83Å |
| 48 | I | 43.3 | Very low | 50.4 | Low | 138 Ų | 138 | 124.7 Ų | 124.7 | 71% | 0.708 | 63% | 0.627 | S | S | * | * | trans | -105.1 | 100.2 | 165.1 | -52.7 | -175.2 | 0 | 0 | 0 | 110.1 | L45 | L45-I48 HydrophobicContact CD2-CD1 4.42Š| ||
| 49 | P | 49.4 | Very low | 50.3 | Low | 121 Ų | 121 | 127.3 Ų | 127.3 | 79% | 0.786 | 64% | 0.643 | S | S | * | * | trans | -99 | 115.6 | 155.9 | 19 | -2.1 | 0 | 0 | 0 | 109 | R47 | R47-P49 VanDerWaalsContact O-CD 3.26Å; R47-P49 WeakPolarHBondContact O-CD 2.83Å | ||
| 50 | G | 54.7 | Low | 50.5 | Low | 71 Ų | 71 | 126.2 Ų | 126.2 | 73% | 0.732 | 64% | 0.637 | S | S | * | * | trans | 165.8 | 63.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 51 | E | 42.8 | Very low | 50.7 | Low | 194 Ų | 194 | 127.2 Ų | 127.2 | 91% | 0.907 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -139.3 | 146.1 | 156.4 | -125.5 | 172.2 | 174 | 0 | 0 | 110 | ||
| 52 | K | 40.8 | Very low | 50.8 | Low | 208 Ų | 208 | 128.1 Ų | 128.1 | 90% | 0.904 | 65% | 0.647 | S | S | * | * | trans | -60.8 | 141.8 | -148.6 | -70.7 | 169.2 | 175.2 | 173 | 0 | 114.8 | E54 | K52-E54 PolarHBondContact O-N 2.83Š| ||
| 53 | R | 47 | Very low | 51 | Low | 183 Ų | 183 | 132.9 Ų | 132.9 | 69% | 0.691 | 67% | 0.669 | S | S | * | * | trans | -77.7 | 102.7 | 179.3 | -164.1 | -177.6 | -162.4 | 175.9 | 6.2 | 109.9 | R58 | R53-R58 VanDerWaalsContact NH2-CZ 3.26Š| ||
| 54 | E | 47.5 | Very low | 51.6 | Low | 164 Ų | 164 | 127.6 Ų | 127.6 | 77% | 0.766 | 66% | 0.655 | S | S | * | * | trans | -86.6 | 130.8 | 153.2 | -73.2 | -176.3 | 171.7 | 0 | 0 | 107.6 | K52 I56 | K52-E54 PolarHBondContact O-N 2.83Å; E54-I56 PolarHBondContact O-N 3.32Å | ||
| 55 | E | 47.1 | Very low | 53.1 | Low | 169 Ų | 169 | 126.2 Ų | 126.2 | 79% | 0.79 | 65% | 0.651 | S | S | * | * | trans | -70.9 | 76.6 | -179.5 | -73.1 | -168.7 | 139 | 0 | 0 | 111.1 | ||||
| 56 | I | 49 | Very low | 54.8 | Low | 121 Ų | 121 | 128.7 Ų | 128.7 | 62% | 0.621 | 66% | 0.664 | S | S | * | * | trans | -98.2 | 133.5 | 164.5 | -63.5 | 169.1 | 0 | 0 | 0 | 106.6 | E54 R58 | E54-I56 PolarHBondContact O-N 3.32Å; I56-R58 PolarHBondContact O-N 3.04Å | ||
| 57 | S | 50.8 | Low | 56.8 | Low | 94 Ų | 94 | 131.6 Ų | 131.6 | 66% | 0.657 | 66% | 0.661 | S | S | * | * | trans | -31 | 109 | -173.4 | -73.8 | 0 | 0 | 0 | 0 | 113.4 | D59 G60 | S57-D59 PolarHBondContact O-N 2.9Å; S57-G60 PolarHBondContact O-N 2.75Å | ||
| 58 | R | 54.9 | Low | 59 | Low | 135 Ų | 135 | 124.2 Ų | 124.2 | 51% | 0.509 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -51.1 | -30.1 | -176 | -57.5 | -179.6 | -175.8 | 170.9 | 4.8 | 112.2 | R53 I56 G60 D61 Y62 | R53-R58 VanDerWaalsContact NH2-CZ 3.26Å; I56-R58 PolarHBondContact O-N 3.04Å; R58-G60 VanDerWaalsContact C-N 3.31Å; R58-G60 PolarHBondContact O-N 3.17Å; R58-D61 PolarHBondContact O-N 2.93Å; R58-Y62 HydrophobicContact CB-CE2 4.16Å; R58-Y62 VanDerWaalsContact CB-OH 3.32Å; R58-Y62 WeakPolarHBondContact CB-OH 3.4Å; R58-Y62 WeakPolarHBondContact O-CD2 3.33Å; R58-Y62 WeakPolarHBondContact O-CE2 3.33Å; R58-Y62 VanDerWaalsContact O-CZ 3.25Å |
| 59 | D | 56.6 | Low | 61.6 | Low | 121 Ų | 121 | 118.9 Ų | 118.9 | 65% | 0.647 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -57.3 | -36.2 | 177.4 | -64.8 | -16.5 | 0 | 0 | 0 | 114.5 | S57 Y62 | S57-D59 PolarHBondContact O-N 2.9Å; D59-Y62 VanDerWaalsContact CA-CD2 3.4Å; D59-Y62 VanDerWaalsContact CA-CE2 3.45Å; D59-Y62 WeakPolarHBondContact O-CD2 3.49Å |
| 60 | G | 59.3 | Low | 63.9 | Low | 31 Ų | 31 | 116.6 Ų | 116.6 | 32% | 0.32 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -73.7 | -34.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S57 R58 Y62 L63 L64 | S57-G60 PolarHBondContact O-N 2.75Å; R58-G60 VanDerWaalsContact C-N 3.31Å; R58-G60 PolarHBondContact O-N 3.17Å; G60-Y62 VanDerWaalsContact C-N 3.33Å; G60-Y62 PolarHBondContact O-N 2.88Å; G60-L63 WeakPolarHBondContact O-CB 3.42Å; G60-L63 PolarHBondContact O-N 2.78Å; G60-L63 VanDerWaalsContact O-N 3.07Å; G60-L64 PolarHBondContact O-N 2.94Å; G60-L64 VanDerWaalsContact O-N 3.16Å |
| 61 | D | 57.6 | Low | 66 | Low | 102 Ų | 102 | 114.3 Ų | 114.3 | 55% | 0.545 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.4 | -31.7 | -178.7 | -83.1 | -5.3 | 0 | 0 | 0 | 112.2 | R58 L63 L64 G65 | R58-D61 PolarHBondContact O-N 2.93Å; D61-L63 PolarHBondContact O-N 3.32Å; D61-L64 PolarHBondContact O-N 3.14Å; D61-G65 PolarHBondContact O-N 3.23Å |
| 62 | Y | 56.6 | Low | 68.6 | Low | 161 Ų | 161 | 105 Ų | 105 | 63% | 0.631 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64 | -32.1 | 172.1 | -41.9 | -59.8 | 0 | 0 | 0 | 111.6 | R58 D59 G60 G65 | R58-Y62 HydrophobicContact CB-CE2 4.16Å; R58-Y62 VanDerWaalsContact CB-OH 3.32Å; R58-Y62 WeakPolarHBondContact CB-OH 3.4Å; R58-Y62 WeakPolarHBondContact O-CD2 3.33Å; R58-Y62 WeakPolarHBondContact O-CE2 3.33Å; R58-Y62 VanDerWaalsContact O-CZ 3.25Å; D59-Y62 VanDerWaalsContact CA-CD2 3.4Å; D59-Y62 VanDerWaalsContact CA-CE2 3.45Å; D59-Y62 WeakPolarHBondContact O-CD2 3.49Å; G60-Y62 VanDerWaalsContact C-N 3.33Å; G60-Y62 PolarHBondContact O-N 2.88Å; Y62-G65 PolarHBondContact O-N 2.8Å |
| 63 | L | 59.1 | Low | 71.4 | Confident | 129 Ų | 129 | 97.2 Ų | 97.2 | 68% | 0.675 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -74.6 | -30.7 | 177.8 | -58.3 | 176.1 | 0 | 0 | 0 | 112.3 | G60 D61 G65 | G60-L63 WeakPolarHBondContact O-CB 3.42Å; G60-L63 PolarHBondContact O-N 2.78Å; G60-L63 VanDerWaalsContact O-N 3.07Å; D61-L63 PolarHBondContact O-N 3.32Å; L63-G65 VanDerWaalsContact C-N 3.25Å |
| 64 | L | 68.9 | Low | 73.9 | Confident | 81 Ų | 81 | 88.5 Ų | 88.5 | 42% | 0.424 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -76 | -14 | 173.5 | -64.7 | 177.9 | 0 | 0 | 0 | 112.9 | G60 D61 P106 V107 | G60-L64 PolarHBondContact O-N 2.94Å; G60-L64 VanDerWaalsContact O-N 3.16Å; D61-L64 PolarHBondContact O-N 3.14Å; L64-P106 WeakPolarHBondContact O-CB 3.5Å; L64-P106 WeakPolarHBondContact O-CD 3.18Å; L64-P106 WeakPolarHBondContact O-CG 3.5Å; L64-V107 WeakPolarHBondContact CD2-O 3.47Å |
| 65 | G | 78.5 | Confident | 76.3 | Confident | 39 Ų | 39 | 85 Ų | 85 | 40% | 0.402 | 43% | 0.427 | S | S | . | . | trans | 60.5 | -179.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 116 | D61 Y62 L63 | D61-G65 PolarHBondContact O-N 3.23Å; Y62-G65 PolarHBondContact O-N 2.8Å; L63-G65 VanDerWaalsContact C-N 3.25Å | ||
| 66 | I | 87.9 | Confident | 78.7 | Confident | 142 Ų | 142 | 77.4 Ų | 77.4 | 73% | 0.728 | 39% | 0.391 | S | S | * | . | trans | -84.5 | 129.3 | -174.1 | -58.5 | 171.8 | 0 | 0 | 0 | 110.4 | ||||
| 67 | K | 92.5 | Very high | 80.9 | Confident | 142 Ų | 142 | 74.2 Ų | 74.2 | 62% | 0.617 | 39% | 0.389 | S | S | * | . | trans | -65.4 | 131.2 | 169.3 | -65.7 | 176.2 | 179.2 | 173.7 | 0 | 110.1 | Q103 I104 | K67-Q103 HydrophobicContact CB-CG 4.42Å; K67-I104 WeakPolarHBondContact CA-O 3.28Å | ||
| 68 | R | 95.4 | Very high | 83.2 | Confident | 63 Ų | 63 | 75.1 Ų | 75.1 | 24% | 0.238 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 126.3 | -176.4 | -61.1 | 172.9 | -73.7 | 154.6 | -6.4 | 110.5 | R70 Q103 I104 E145 | R68-R70 HydrophobicContact CB-CG 4.15Å; R68-Q103 WeakPolarHBondContact O-CA 3.29Å; R68-I104 HydrophobicContact CB-CB 4.37Å; R68-I104 PolarHBondContact N-O 3.32Å; R68-I104 PolarHBondContact O-N 3.24Å; R68-E145 IonicContact CZ-OE1 3.84Å; R68-E145 IonicContact CZ-OE2 3.71Å; R68-E145 IonicContact NH1-OE1 3.72Å; R68-E145 PolarHBondContact NH1-OE1 3.07Å; R68-E145 IonicContact NH1-OE2 3.41Å; R68-E145 IonicContact NH2-OE1 3.35Å; R68-E145 PolarHBondContact NH2-OE1 3.15Å; R68-E145 IonicContact NH2-OE2 2.76Å; R68-E145 PolarHBondContact NH2-OE2 2.85Å |
| 69 | L | 97.1 | Very high | 85.2 | Confident | 26 Ų | 26 | 68.7 Ų | 68.7 | 14% | 0.136 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 114.1 | 167.3 | -65.2 | 179.6 | 0 | 0 | 0 | 109.4 | L45 L101 L102 Q103 V117 | L45-L69 HydrophobicContact CB-CD1 3.61Å; L69-L101 HydrophobicContact CB-CD1 4.4Å; L69-L102 CarbonylContact C-O 3.53Å; L69-L102 WeakPolarHBondContact CA-O 3.39Å; L69-Q103 HydrophobicContact CD2-CB 3.83Å; L69-Q103 HydrophobicContact CD2-CG 4.18Å; L69-V117 HydrophobicContact CD2-CG2 3.78Å |
| 70 | R | 98.1 | Very high | 87.2 | Confident | 73 Ų | 73 | 63.7 Ų | 63.7 | 28% | 0.275 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 160.8 | -176.1 | -64.6 | -64.9 | -178.2 | -86.7 | 1.8 | 111.3 | R68 L102 I104 P190 R191 | R68-R70 HydrophobicContact CB-CG 4.15Å; R70-L102 PolarHBondContact N-O 3.32Å; R70-L102 WeakPolarHBondContact O-CA 3.38Å; R70-L102 WeakPolarHBondContact O-CB 3.24Å; R70-L102 PolarHBondContact O-N 2.86Å; R70-L102 VanDerWaalsContact O-O 3.11Å; R70-I104 HydrophobicContact CB-CD1 3.99Å; R70-I104 HydrophobicContact CG-CD1 4.35Å; R70-P190 HydrophobicContact CB-CB 4.3Å; R70-P190 HydrophobicContact CG-CB 4.24Å; R70-R191 CarbonylContact C-O 3.59Å; R70-R191 WeakPolarHBondContact CA-O 3.5Å; R70-R191 WeakPolarHBondContact CB-O 3.44Å; R70-R191 WeakPolarHBondContact CD-O 3.34Å |
| 71 | R | 98.3 | Very high | 89.1 | Confident | 22 Ų | 22 | 62.4 Ų | 62.4 | 8% | 0.083 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 137.6 | 165.2 | -58.9 | -176.8 | 168.1 | 77.4 | 1.3 | 108.9 | E96 S100 L101 P190 R191 I192 | R71-E96 WeakPolarHBondContact CD-OE2 3.31Å; R71-E96 IonicContact CZ-OE2 3.77Å; R71-E96 IonicContact NE-OE2 3.46Å; R71-E96 IonicContact NH1-OE2 3.32Å; R71-S100 WeakPolarHBondContact CG-O 3.48Å; R71-S100 PolarHBondContact NE-OG 2.8Å; R71-L101 HydrophobicContact CG-CD1 4.45Å; R71-P190 CarbonylContact O-C 3.46Å; R71-P190 WeakPolarHBondContact O-CA 3.47Å; R71-R191 PolarHBondContact N-O 3.48Å; R71-R191 PolarHBondContact O-N 3.03Å; R71-I192 PolarHBondContact NH1-OXT 3.36Å |
| 72 | L | 98.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 101.1 | 177.2 | -66.2 | -176.9 | 0 | 0 | 0 | 110.1 | H81 I82 L102 I104 L114 Y155 F188 P190 | L72-H81 WeakPolarHBondContact O-CA 3.18Å; L72-I82 HydrophobicContact CB-CB 4.49Å; L72-I82 PolarHBondContact O-N 2.92Å; L72-L102 HydrophobicContact CB-CD1 4.42Å; L72-L102 HydrophobicContact CD1-CD1 3.83Å; L72-L102 HydrophobicContact CG-CD1 3.92Å; L72-I104 HydrophobicContact CD2-CD1 4.05Å; L72-L114 HydrophobicContact CD1-CD1 3.88Å; L72-L114 HydrophobicContact CD1-CD2 4.07Å; L72-Y155 HydrophobicContact CD1-CD2 4.38Å; L72-Y155 HydrophobicContact CD1-CE2 3.81Å; L72-Y155 HydrophobicContact CD2-CE2 3.99Å; L72-Y155 VanDerWaalsContact CD2-OH 3.24Å; L72-Y155 WeakPolarHBondContact CD2-OH 3.41Å; L72-F188 HydrophobicContact CB-CB 4.29Å; L72-F188 HydrophobicContact CB-CD1 4Å; L72-F188 HydrophobicContact CB-CG 4.43Å; L72-P190 HydrophobicContact CD2-CB 4.2Å; L72-P190 HydrophobicContact CD2-CG 4.07Å |
| 73 | Y | 98.6 | Very high | 93 | Very high | 44 Ų | 44 | 50.9 Ų | 50.9 | 17% | 0.173 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 125.4 | -179.5 | 176.7 | -103 | 0 | 0 | 0 | 111.9 | N75 G79 F80 H81 F188 L189 | Y73-N75 HydrophobicContact CE1-CB 3.78Å; Y73-G79 WeakPolarHBondContact OH-CA 3.47Å; Y73-F80 CarbonylContact C-O 3.59Å; Y73-F80 WeakPolarHBondContact CA-O 3.5Å; Y73-H81 AromaticContact CD2-CD2 3.94Å; Y73-H81 AromaticContact CD2-CE1 3.66Å; Y73-H81 AromaticContact CD2-NE2 3.5Å; Y73-H81 WeakPolarHBondContact CD2-NE2 3.41Å; Y73-H81 AromaticContact CG-NE2 3.98Å; Y73-F188 CarbonylContact O-C 3.54Å; Y73-F188 VanDerWaalsContact O-CA 3.28Å; Y73-F188 WeakPolarHBondContact O-CA 3.3Å; Y73-L189 PolarHBondContact N-O 3.28Å; Y73-L189 PolarHBondContact O-N 2.96Å |
| 74 | C | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 119.8 | 173.1 | -169.3 | 0 | 0 | 0 | 0 | 109.7 | V76 G79 F80 L167 H187 F188 | C74-V76 VanDerWaalsContact C-N 3.27Å; C74-V76 HydrophobicContact CB-CG2 4.36Å; C74-V76 PolarHBondContact O-N 3.2Å; C74-G79 WeakPolarHBondContact O-CA 3.4Å; C74-F80 PolarHBondContact N-O 3.01Å; C74-F80 PolarHBondContact O-N 3.38Å; C74-L167 HydrophobicContact CB-CB 4.46Å; C74-L167 HydrophobicContact CB-CD1 4.14Å; C74-H187 WeakPolarHBondContact CA-O 3.41Å; C74-H187 PolarHBondContact SG-O 2.99Å; C74-F188 HydrophobicContact CB-CD1 3.76Å; C74-F188 HydrophobicContact CB-CE1 3.61Å; C74-F188 HydrophobicContact CB-CZ 4.35Å |
| 75 | N | 97.9 | Very high | 96.4 | Very high | 91 Ų | 91 | 42.1 Ų | 42.1 | 49% | 0.487 | 22% | 0.221 | S | C | . | . | trans | -82.1 | 68.8 | -179.9 | -169.3 | 10.7 | 0 | 0 | 0 | 111.5 | Y73 Y152 | Y73-N75 HydrophobicContact CE1-CB 3.78Å; N75-Y152 HydrophobicContact CB-CE1 4.38Å | ||
| 76 | V | 97.6 | Very high | 97.3 | Very high | 8 Ų | 8 | 44 Ų | 44 | 5% | 0.048 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -131 | 140.8 | 176.4 | -66.5 | 0 | 0 | 0 | 0 | 111.3 | C74 I78 G79 F80 L167 V185 | C74-V76 VanDerWaalsContact C-N 3.27Å; C74-V76 HydrophobicContact CB-CG2 4.36Å; C74-V76 PolarHBondContact O-N 3.2Å; V76-I78 PolarHBondContact O-N 3.5Å; V76-G79 WeakPolarHBondContact O-CA 3.13Å; V76-G79 PolarHBondContact O-N 2.84Å; V76-F80 HydrophobicContact CG2-CD2 4.15Å; V76-F80 VanDerWaalsContact O-CD2 3.28Å; V76-F80 WeakPolarHBondContact O-CD2 3.27Å; V76-F80 WeakPolarHBondContact O-CE2 3.44Å; V76-L167 HydrophobicContact CG2-CB 4.45Å; V76-V185 HydrophobicContact CG1-CG1 4.15Å |
| 77 | G | 97.1 | Very high | 97.8 | Very high | 55 Ų | 55 | 41.7 Ų | 41.7 | 57% | 0.567 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | -121.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | G79 | G77-G79 VanDerWaalsContact C-N 3.26Š|
| 78 | I | 97.6 | Very high | 98.1 | Very high | 112 Ų | 112 | 35.6 Ų | 35.6 | 57% | 0.574 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -0.7 | 172.9 | 62 | 172.8 | 0 | 0 | 0 | 113.2 | V76 F80 H94 | V76-I78 PolarHBondContact O-N 3.5Å; I78-F80 HydrophobicContact CD1-CE1 4.07Å; I78-F80 HydrophobicContact CD1-CZ 4.08Å; I78-F80 HydrophobicContact CG1-CE1 3.85Å; I78-F80 HydrophobicContact CG1-CE2 4.03Å; I78-F80 HydrophobicContact CG1-CZ 3.48Å; I78-F80 VanDerWaalsContact CG1-CZ 3.48Å; I78-H94 HydrophobicContact CD1-CB 3.82Å; I78-H94 HydrophobicContact CG1-CB 4.38Å; I78-H94 PolarHBondContact O-CE1 3.31Å; I78-H94 PolarHBondContact O-ND1 3.37Å |
| 79 | G | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | 82.9 | 137.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y73 C74 V76 G77 H94 | Y73-G79 WeakPolarHBondContact OH-CA 3.47Å; C74-G79 WeakPolarHBondContact O-CA 3.4Å; V76-G79 WeakPolarHBondContact O-CA 3.13Å; V76-G79 PolarHBondContact O-N 2.84Å; G77-G79 VanDerWaalsContact C-N 3.26Å; G79-H94 PolarHBondContact O-ND1 2.84Å | ||
| 80 | F | 98.7 | Very high | 98.3 | Very high | 16 Ų | 16 | 38.9 Ų | 38.9 | 7% | 0.07 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 138.8 | -174 | -59.4 | -84.3 | 0 | 0 | 0 | 112.2 | Y73 C74 V76 I78 V93 L167 K169 | Y73-F80 CarbonylContact C-O 3.59Å; Y73-F80 WeakPolarHBondContact CA-O 3.5Å; C74-F80 PolarHBondContact N-O 3.01Å; C74-F80 PolarHBondContact O-N 3.38Å; V76-F80 HydrophobicContact CG2-CD2 4.15Å; V76-F80 VanDerWaalsContact O-CD2 3.28Å; V76-F80 WeakPolarHBondContact O-CD2 3.27Å; V76-F80 WeakPolarHBondContact O-CE2 3.44Å; I78-F80 HydrophobicContact CD1-CE1 4.07Å; I78-F80 HydrophobicContact CD1-CZ 4.08Å; I78-F80 HydrophobicContact CG1-CE1 3.85Å; I78-F80 HydrophobicContact CG1-CE2 4.03Å; I78-F80 HydrophobicContact CG1-CZ 3.48Å; I78-F80 VanDerWaalsContact CG1-CZ 3.48Å; F80-V93 CarbonylContact C-O 3.57Å; F80-V93 WeakPolarHBondContact CA-O 3.4Å; F80-L167 HydrophobicContact CB-CD1 3.86Å; F80-K169 VanDerWaalsContact CE2-O 3.31Å; F80-K169 WeakPolarHBondContact CE2-O 3.37Å |
| 81 | H | 98.7 | Very high | 98.3 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.019 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 136.5 | 163.9 | -57.7 | 90.1 | 0 | 0 | 0 | 109.6 | L72 Y73 Q83 G92 V93 H94 E96 R191 | L72-H81 WeakPolarHBondContact O-CA 3.18Å; Y73-H81 AromaticContact CD2-CD2 3.94Å; Y73-H81 AromaticContact CD2-CE1 3.66Å; Y73-H81 AromaticContact CD2-NE2 3.5Å; Y73-H81 WeakPolarHBondContact CD2-NE2 3.41Å; Y73-H81 AromaticContact CG-NE2 3.98Å; H81-Q83 PolarHBondContact O-N 3.08Å; H81-G92 CarbonylContact O-C 3.59Å; H81-G92 VanDerWaalsContact O-CA 3.26Å; H81-G92 WeakPolarHBondContact O-CA 3.29Å; H81-V93 HydrophobicContact CB-CG1 4.3Å; H81-V93 PolarHBondContact N-O 2.95Å; H81-V93 PolarHBondContact O-N 2.85Å; H81-H94 PolarHBondContact ND1-O 2.77Å; H81-E96 VanDerWaalsContact CE1-CG 3.48Å; H81-E96 WeakPolarHBondContact CE1-CG 3.48Å; H81-E96 IonicContact CE1-OE1 2.75Å; H81-E96 IonicContact NE2-OE1 3.13Å; H81-R191 PolarHBondContact CE1-NH1 2.79Å; H81-R191 PolarHBondContact NE2-NH1 2.96Å |
| 82 | I | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 134.9 | 165.7 | -85.9 | 178.1 | 0 | 0 | 0 | 108.9 | L72 I90 S100 L102 L165 L167 F188 | L72-I82 HydrophobicContact CB-CB 4.49Å; L72-I82 PolarHBondContact O-N 2.92Å; I82-I90 HydrophobicContact CG2-CG2 4.29Å; I82-S100 VanDerWaalsContact O-CA 3.29Å; I82-S100 WeakPolarHBondContact O-CA 3.39Å; I82-S100 WeakPolarHBondContact O-CB 3.26Å; I82-L102 HydrophobicContact CG2-CD1 4.04Å; I82-L165 HydrophobicContact CD1-CD2 4.04Å; I82-L167 HydrophobicContact CG1-CD1 3.88Å; I82-L167 HydrophobicContact CG1-CD2 4.29Å; I82-L167 HydrophobicContact CG1-CG 4.18Å; I82-F188 HydrophobicContact CD1-CD1 4.24Å; I82-F188 HydrophobicContact CD1-CE1 3.49Å; I82-F188 VanDerWaalsContact CD1-CE1 3.49Å; I82-F188 HydrophobicContact CD1-CZ 3.73Å; I82-F188 HydrophobicContact CG1-CE1 3.78Å; I82-F188 HydrophobicContact CG1-CZ 4.38Å |
| 83 | Q | 98.2 | Very high | 98.3 | Very high | 22 Ų | 22 | 38.2 Ų | 38.2 | 10% | 0.103 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 146.1 | 168 | 63.1 | 175.1 | -1.9 | 0 | 0 | 111 | H81 L85 I90 T91 V93 N97 Y99 | H81-Q83 PolarHBondContact O-N 3.08Å; Q83-L85 HydrophobicContact CG-CD2 4.36Å; Q83-I90 WeakPolarHBondContact O-CA 3.5Å; Q83-T91 WeakPolarHBondContact CG-O 3.48Å; Q83-T91 WeakPolarHBondContact CG-OG1 3Å; Q83-T91 PolarHBondContact N-O 2.63Å; Q83-T91 PolarHBondContact NE2-OG1 3.43Å; Q83-T91 PolarHBondContact O-N 3.38Å; Q83-V93 HydrophobicContact CB-CG1 4.12Å; Q83-V93 HydrophobicContact CG-CB 4.31Å; Q83-V93 HydrophobicContact CG-CG1 4.19Å; Q83-N97 PolarHBondContact OE1-ND2 2.84Å; Q83-Y99 VanDerWaalsContact CA-O 3.28Å; Q83-Y99 WeakPolarHBondContact CA-O 3.4Å |
| 84 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 106 | 177.6 | -172.9 | 0 | 0 | 0 | 0 | 108 | I90 Y99 L102 S119 L121 V123 | V84-I90 HydrophobicContact CG1-CG1 4.44Å; V84-I90 HydrophobicContact CG2-CG1 4.42Å; V84-Y99 PolarHBondContact N-O 2.95Å; V84-L102 HydrophobicContact CG2-CD2 3.86Å; V84-S119 WeakPolarHBondContact CG1-OG 3.46Å; V84-S119 VanDerWaalsContact O-CB 3.25Å; V84-S119 WeakPolarHBondContact O-CB 3.43Å; V84-S119 PolarHBondContact O-OG 3.35Å; V84-L121 HydrophobicContact CG1-CB 3.82Å; V84-V123 HydrophobicContact CG2-CG2 3.65Å |
| 85 | L | 98.6 | Very high | 98.1 | Very high | 25 Ų | 25 | 44.4 Ų | 44.4 | 13% | 0.131 | 25% | 0.253 | C | S | . | . | trans | -81.2 | 156.1 | -175.6 | -60.9 | 178.7 | 0 | 0 | 0 | 111.5 | Q83 D87 G88 R89 Y99 L121 | Q83-L85 HydrophobicContact CG-CD2 4.36Å; L85-D87 VanDerWaalsContact CB-OD1 3.29Å; L85-D87 WeakPolarHBondContact CB-OD1 3.42Å; L85-D87 PolarHBondContact O-N 3.21Å; L85-G88 PolarHBondContact O-N 2.94Å; L85-R89 WeakPolarHBondContact CB-O 3.45Å; L85-R89 HydrophobicContact CD1-CB 4.25Å; L85-R89 PolarHBondContact N-O 2.99Å; L85-Y99 HydrophobicContact CD2-CD2 4.11Å; L85-Y99 HydrophobicContact CD2-CG 4.13Å; L85-L121 WeakPolarHBondContact O-CD1 3.05Å | ||
| 86 | P | 98.4 | Very high | 97.9 | Very high | 80 Ų | 80 | 44 Ų | 44 | 52% | 0.519 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -25.3 | -180 | -24.8 | 35.8 | 0 | 0 | 0 | 114.3 | G88 Y99 | P86-G88 PolarHBondContact O-N 3.44Å; P86-Y99 VanDerWaalsContact CD-CE1 3.47Å; P86-Y99 HydrophobicContact CG-CD1 4.26Å; P86-Y99 HydrophobicContact CG-CE1 3.41Å; P86-Y99 VanDerWaalsContact CG-CE1 3.41Å |
| 87 | D | 98.1 | Very high | 97.8 | Very high | 92 Ų | 92 | 46 Ų | 46 | 49% | 0.492 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 5.6 | 176.1 | 65.3 | 9 | 0 | 0 | 0 | 113.4 | L85 R89 | L85-D87 VanDerWaalsContact CB-OD1 3.29Å; L85-D87 WeakPolarHBondContact CB-OD1 3.42Å; L85-D87 PolarHBondContact O-N 3.21Å; D87-R89 VanDerWaalsContact C-N 3.27Å; D87-R89 PolarHBondContact O-N 2.8Å; D87-R89 VanDerWaalsContact OD1-CB 3.24Å; D87-R89 WeakPolarHBondContact OD1-CB 3.19Å; D87-R89 WeakPolarHBondContact OD1-CG 3.39Å; D87-R89 PolarHBondContact OD1-N 3.14Å; D87-R89 IonicContact OD1-NE 2.71Å; D87-R89 PolarHBondContact OD1-NE 3.32Å; D87-R89 IonicContact OD2-CZ 3.51Å; D87-R89 IonicContact OD2-NE 3.66Å; D87-R89 PolarHBondContact OD2-NE 2.97Å; D87-R89 IonicContact OD2-NH2 3.63Å; D87-R89 PolarHBondContact OD2-NH2 2.89Å |
| 88 | G | 98.3 | Very high | 97.8 | Very high | 14 Ų | 14 | 49.3 Ų | 49.3 | 14% | 0.144 | 25% | 0.254 | C | S | . | . | S | Bend | trans | 78.6 | 3.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L85 P86 G133 | L85-G88 PolarHBondContact O-N 2.94Å; P86-G88 PolarHBondContact O-N 3.44Å; G88-G133 PolarHBondContact O-N 3.37Å |
| 89 | R | 98.5 | Very high | 97.9 | Very high | 152 Ų | 152 | 47.1 Ų | 47.1 | 57% | 0.574 | 24% | 0.239 | S | C | * | . | trans | -76.6 | 138.4 | 172.1 | -66.5 | -174.5 | -63.8 | 168.1 | -2.1 | 110.6 | L85 D87 | L85-R89 WeakPolarHBondContact CB-O 3.45Å; L85-R89 HydrophobicContact CD1-CB 4.25Å; L85-R89 PolarHBondContact N-O 2.99Å; D87-R89 VanDerWaalsContact C-N 3.27Å; D87-R89 PolarHBondContact O-N 2.8Å; D87-R89 VanDerWaalsContact OD1-CB 3.24Å; D87-R89 WeakPolarHBondContact OD1-CB 3.19Å; D87-R89 WeakPolarHBondContact OD1-CG 3.39Å; D87-R89 PolarHBondContact OD1-N 3.14Å; D87-R89 IonicContact OD1-NE 2.71Å; D87-R89 PolarHBondContact OD1-NE 3.32Å; D87-R89 IonicContact OD2-CZ 3.51Å; D87-R89 IonicContact OD2-NE 3.66Å; D87-R89 PolarHBondContact OD2-NE 2.97Å; D87-R89 IonicContact OD2-NH2 3.63Å; D87-R89 PolarHBondContact OD2-NH2 2.89Å | ||
| 90 | I | 98.7 | Very high | 97.9 | Very high | 7 Ų | 7 | 47.1 Ų | 47.1 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 129.4 | 171.1 | -60 | -175.9 | 0 | 0 | 0 | 107.8 | I82 Q83 V84 V123 L131 Y132 T173 | I82-I90 HydrophobicContact CG2-CG2 4.29Å; Q83-I90 WeakPolarHBondContact O-CA 3.5Å; V84-I90 HydrophobicContact CG1-CG1 4.44Å; V84-I90 HydrophobicContact CG2-CG1 4.42Å; I90-V123 HydrophobicContact CD1-CB 4.08Å; I90-V123 HydrophobicContact CD1-CG1 3.74Å; I90-V123 HydrophobicContact CD1-CG2 4Å; I90-L131 HydrophobicContact CB-CB 4.34Å; I90-L131 HydrophobicContact CD1-CB 4.22Å; I90-L131 HydrophobicContact CG2-CD1 4.49Å; I90-Y132 VanDerWaalsContact CD1-C 3.4Å; I90-Y132 VanDerWaalsContact CD1-O 3.29Å; I90-Y132 WeakPolarHBondContact CD1-O 3.48Å; I90-T173 HydrophobicContact CB-CG2 4.13Å; I90-T173 HydrophobicContact CG2-CG2 3.86Å; I90-T173 WeakPolarHBondContact O-CG2 3.47Å |
| 91 | T | 98.5 | Very high | 97.8 | Very high | 36 Ų | 36 | 46.7 Ų | 46.7 | 22% | 0.221 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 174.2 | 178.9 | 54.5 | 0 | 0 | 0 | 0 | 109.9 | Q83 | Q83-T91 WeakPolarHBondContact CG-O 3.48Å; Q83-T91 WeakPolarHBondContact CG-OG1 3Å; Q83-T91 PolarHBondContact N-O 2.63Å; Q83-T91 PolarHBondContact NE2-OG1 3.43Å; Q83-T91 PolarHBondContact O-N 3.38Å |
| 92 | G | 98.4 | Very high | 97.8 | Very high | 13 Ų | 13 | 46.5 Ų | 46.5 | 13% | 0.134 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 138.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | H81 G171 | H81-G92 CarbonylContact O-C 3.59Å; H81-G92 VanDerWaalsContact O-CA 3.26Å; H81-G92 WeakPolarHBondContact O-CA 3.29Å; G92-G171 WeakPolarHBondContact CA-O 3.24Å; G92-G171 PolarHBondContact N-O 2.95Å |
| 93 | V | 98.2 | Very high | 97.8 | Very high | 31 Ų | 31 | 49 Ų | 49 | 19% | 0.188 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 137.1 | 172.1 | 64.1 | 0 | 0 | 0 | 0 | 109.6 | F80 H81 Q83 S95 | F80-V93 CarbonylContact C-O 3.57Å; F80-V93 WeakPolarHBondContact CA-O 3.4Å; H81-V93 HydrophobicContact CB-CG1 4.3Å; H81-V93 PolarHBondContact N-O 2.95Å; H81-V93 PolarHBondContact O-N 2.85Å; Q83-V93 HydrophobicContact CB-CG1 4.12Å; Q83-V93 HydrophobicContact CG-CB 4.31Å; Q83-V93 HydrophobicContact CG-CG1 4.19Å; V93-S95 WeakPolarHBondContact CG1-O 3.47Å; V93-S95 VanDerWaalsContact CG2-O 3.27Å; V93-S95 WeakPolarHBondContact CG2-O 3.42Å |
| 94 | H | 97.6 | Very high | 97.8 | Very high | 94 Ų | 94 | 48 Ų | 48 | 44% | 0.435 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -68.8 | -60.6 | -178.8 | -179.8 | 62.1 | 0 | 0 | 0 | 110.9 | I78 G79 H81 | I78-H94 HydrophobicContact CD1-CB 3.82Å; I78-H94 HydrophobicContact CG1-CB 4.38Å; I78-H94 PolarHBondContact O-CE1 3.31Å; I78-H94 PolarHBondContact O-ND1 3.37Å; G79-H94 PolarHBondContact O-ND1 2.84Å; H81-H94 PolarHBondContact ND1-O 2.77Å |
| 95 | S | 95.9 | Very high | 97.7 | Very high | 81 Ų | 81 | 48.6 Ų | 48.6 | 57% | 0.566 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -76.2 | 139.3 | 175.3 | -51.4 | 0 | 0 | 0 | 0 | 111.2 | V93 | V93-S95 WeakPolarHBondContact CG1-O 3.47Å; V93-S95 VanDerWaalsContact CG2-O 3.27Å; V93-S95 WeakPolarHBondContact CG2-O 3.42Å |
| 96 | E | 94.3 | Very high | 97.6 | Very high | 83 Ų | 83 | 48.8 Ų | 48.8 | 39% | 0.388 | 25% | 0.25 | S | C | . | . | trans | -60.6 | 143.9 | 174.9 | -62 | 176.6 | -162.6 | 0 | 0 | 110.8 | R71 H81 R191 | R71-E96 WeakPolarHBondContact CD-OE2 3.31Å; R71-E96 IonicContact CZ-OE2 3.77Å; R71-E96 IonicContact NE-OE2 3.46Å; R71-E96 IonicContact NH1-OE2 3.32Å; H81-E96 VanDerWaalsContact CE1-CG 3.48Å; H81-E96 WeakPolarHBondContact CE1-CG 3.48Å; H81-E96 IonicContact CE1-OE1 2.75Å; H81-E96 IonicContact NE2-OE1 3.13Å; E96-R191 IonicContact OE1-CZ 3.73Å; E96-R191 IonicContact OE1-NH1 2.88Å; E96-R191 PolarHBondContact OE1-NH1 2.48Å; E96-R191 IonicContact OE1-NH2 3.91Å | ||
| 97 | N | 95.2 | Very high | 97.4 | Very high | 49 Ų | 49 | 46.5 Ų | 46.5 | 26% | 0.262 | 23% | 0.234 | S | C | . | . | trans | -147.5 | -177.7 | 176.7 | 68.8 | 26.2 | 0 | 0 | 0 | 110.3 | Q83 Y99 S100 | Q83-N97 PolarHBondContact OE1-ND2 2.84Å; N97-Y99 VanDerWaalsContact C-N 3.28Å; N97-Y99 PolarHBondContact O-N 2.87Å; N97-Y99 WeakPolarHBondContact OD1-CA 3.29Å; N97-Y99 PolarHBondContact OD1-N 2.8Å; N97-S100 PolarHBondContact N-OG 2.81Å; N97-S100 PolarHBondContact O-N 3.03Å; N97-S100 PolarHBondContact O-OG 3.21Å; N97-S100 PolarHBondContact OD1-N 2.86Å | ||
| 98 | R | 96.9 | Very high | 97.1 | Very high | 125 Ų | 125 | 46.6 Ų | 46.6 | 47% | 0.472 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -65.5 | -29.2 | -179.2 | -62.8 | -171.1 | -69.8 | 177.7 | 1.5 | 113.3 | E38 H118 | E38-R98 IonicContact OE1-CZ 2.63Å; E38-R98 IonicContact OE1-NH1 3.66Å; E38-R98 PolarHBondContact OE1-NH1 3.32Å; R98-H118 HydrophobicContact CB-CB 4.38Å; R98-H118 VanDerWaalsContact O-CB 3.29Å; R98-H118 WeakPolarHBondContact O-CB 3.29Å |
| 99 | Y | 98.4 | Very high | 96.7 | Very high | 65 Ų | 65 | 57.5 Ų | 57.5 | 26% | 0.255 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -83.9 | -10.1 | -179.7 | -58.9 | -68.2 | 0 | 0 | 0 | 113.9 | Q83 V84 L85 P86 N97 H118 | Q83-Y99 VanDerWaalsContact CA-O 3.28Å; Q83-Y99 WeakPolarHBondContact CA-O 3.4Å; V84-Y99 PolarHBondContact N-O 2.95Å; L85-Y99 HydrophobicContact CD2-CD2 4.11Å; L85-Y99 HydrophobicContact CD2-CG 4.13Å; P86-Y99 VanDerWaalsContact CD-CE1 3.47Å; P86-Y99 HydrophobicContact CG-CD1 4.26Å; P86-Y99 HydrophobicContact CG-CE1 3.41Å; P86-Y99 VanDerWaalsContact CG-CE1 3.41Å; N97-Y99 VanDerWaalsContact C-N 3.28Å; N97-Y99 PolarHBondContact O-N 2.87Å; N97-Y99 WeakPolarHBondContact OD1-CA 3.29Å; N97-Y99 PolarHBondContact OD1-N 2.8Å; Y99-H118 HydrophobicContact CD1-CB 4.22Å; Y99-H118 AromaticContact CD1-CD2 3.58Å; Y99-H118 HydrophobicContact CE1-CB 4.49Å; Y99-H118 AromaticContact CE1-CD2 3.14Å; Y99-H118 WeakPolarHBondContact CE1-CD2 3.37Å; Y99-H118 AromaticContact CE1-NE2 3.89Å; Y99-H118 AromaticContact CZ-CD2 3.56Å; Y99-H118 AromaticContact CZ-NE2 3.94Å |
| 100 | S | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -90.4 | -7.1 | 177.6 | 72.2 | 0 | 0 | 0 | 0 | 114.3 | R71 I82 N97 | R71-S100 WeakPolarHBondContact CG-O 3.48Å; R71-S100 PolarHBondContact NE-OG 2.8Å; I82-S100 VanDerWaalsContact O-CA 3.29Å; I82-S100 WeakPolarHBondContact O-CA 3.39Å; I82-S100 WeakPolarHBondContact O-CB 3.26Å; N97-S100 PolarHBondContact N-OG 2.81Å; N97-S100 PolarHBondContact O-N 3.03Å; N97-S100 PolarHBondContact O-OG 3.21Å; N97-S100 PolarHBondContact OD1-N 2.86Å |
| 101 | L | 98.5 | Very high | 96.4 | Very high | 8 Ų | 8 | 52.4 Ų | 52.4 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | trans | -79.7 | 121 | 175.2 | -171.1 | 66.2 | 0 | 0 | 0 | 110.5 | L69 R71 V117 | L69-L101 HydrophobicContact CB-CD1 4.4Å; R71-L101 HydrophobicContact CG-CD1 4.45Å; L101-V117 HydrophobicContact CD2-CB 4.36Å; L101-V117 HydrophobicContact CD2-CG1 4.45Å; L101-V117 HydrophobicContact CD2-CG2 4.29Å; L101-V117 HydrophobicContact CG-CB 4.42Å; L101-V117 HydrophobicContact CG-CG2 4.07Å; L101-V117 PolarHBondContact O-N 2.82Å | ||
| 102 | L | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 138.5 | -179.8 | -54 | 179.8 | 0 | 0 | 0 | 110.8 | L69 R70 L72 I82 V84 L115 | L69-L102 CarbonylContact C-O 3.53Å; L69-L102 WeakPolarHBondContact CA-O 3.39Å; R70-L102 PolarHBondContact N-O 3.32Å; R70-L102 WeakPolarHBondContact O-CA 3.38Å; R70-L102 WeakPolarHBondContact O-CB 3.24Å; R70-L102 PolarHBondContact O-N 2.86Å; R70-L102 VanDerWaalsContact O-O 3.11Å; L72-L102 HydrophobicContact CB-CD1 4.42Å; L72-L102 HydrophobicContact CD1-CD1 3.83Å; L72-L102 HydrophobicContact CG-CD1 3.92Å; I82-L102 HydrophobicContact CG2-CD1 4.04Å; V84-L102 HydrophobicContact CG2-CD2 3.86Å; L102-L115 CarbonylContact C-O 3.53Å; L102-L115 VanDerWaalsContact CA-O 3.24Å; L102-L115 WeakPolarHBondContact CA-O 3.32Å |
| 103 | Q | 98.3 | Very high | 96.4 | Very high | 53 Ų | 53 | 50.5 Ų | 50.5 | 25% | 0.248 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 111.1 | 161.2 | -175.3 | -174.4 | -66.2 | 0 | 0 | 108.8 | K67 R68 L69 S105 L115 V117 | K67-Q103 HydrophobicContact CB-CG 4.42Å; R68-Q103 WeakPolarHBondContact O-CA 3.29Å; L69-Q103 HydrophobicContact CD2-CB 3.83Å; L69-Q103 HydrophobicContact CD2-CG 4.18Å; Q103-S105 PolarHBondContact NE2-OG 2.69Å; Q103-L115 HydrophobicContact CB-CB 4.3Å; Q103-L115 PolarHBondContact N-O 2.8Å; Q103-L115 PolarHBondContact O-N 3.36Å; Q103-V117 HydrophobicContact CB-CG2 4.09Å |
| 104 | I | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 111.7 | 172.6 | -47.4 | -175.6 | 0 | 0 | 0 | 107.5 | K67 R68 R70 L72 V112 T113 L114 | K67-I104 WeakPolarHBondContact CA-O 3.28Å; R68-I104 HydrophobicContact CB-CB 4.37Å; R68-I104 PolarHBondContact N-O 3.32Å; R68-I104 PolarHBondContact O-N 3.24Å; R70-I104 HydrophobicContact CB-CD1 3.99Å; R70-I104 HydrophobicContact CG-CD1 4.35Å; L72-I104 HydrophobicContact CD2-CD1 4.05Å; I104-V112 HydrophobicContact CG2-CB 3.76Å; I104-V112 HydrophobicContact CG2-CG1 3.86Å; I104-V112 HydrophobicContact CG2-CG2 4.01Å; I104-T113 WeakPolarHBondContact CA-O 3.4Å; I104-L114 HydrophobicContact CB-CD2 4.2Å; I104-L114 HydrophobicContact CD1-CD2 4.13Å; I104-L114 HydrophobicContact CG1-CD2 3.69Å; I104-L114 HydrophobicContact CG2-CD2 3.92Å |
| 105 | S | 96.5 | Very high | 96.5 | Very high | 13 Ų | 13 | 46.1 Ų | 46.1 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 121.9 | -179.3 | -45.6 | 0 | 0 | 0 | 0 | 109.2 | Q103 V112 T113 | Q103-S105 PolarHBondContact NE2-OG 2.69Å; S105-V112 CarbonylContact O-C 3.55Å; S105-V112 WeakPolarHBondContact O-CA 3.31Å; S105-T113 WeakPolarHBondContact CB-OG1 3.49Å; S105-T113 PolarHBondContact N-O 2.76Å; S105-T113 PolarHBondContact O-N 2.85Å; S105-T113 PolarHBondContact O-OG1 2.84Å |
| 106 | P | 95.6 | Very high | 96.6 | Very high | 28 Ų | 28 | 42.3 Ų | 42.3 | 18% | 0.182 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 144.1 | 174.1 | -0.4 | 17.6 | 0 | 0 | 0 | 109.4 | L64 V111 | L64-P106 WeakPolarHBondContact O-CB 3.5Å; L64-P106 WeakPolarHBondContact O-CD 3.18Å; L64-P106 WeakPolarHBondContact O-CG 3.5Å; P106-V111 WeakPolarHBondContact CA-O 3.38Å |
| 107 | V | 94 | Very high | 96.8 | Very high | 32 Ų | 32 | 40.8 Ų | 40.8 | 19% | 0.194 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | -28.3 | 179 | -66.1 | 0 | 0 | 0 | 0 | 111.9 | L64 V111 T113 K142 | L64-V107 WeakPolarHBondContact CD2-O 3.47Å; V107-V111 HydrophobicContact CG2-CB 4.03Å; V107-V111 HydrophobicContact CG2-CG1 3.68Å; V107-V111 PolarHBondContact N-O 3.25Å; V107-T113 HydrophobicContact CG1-CG2 3.7Å; V107-K142 HydrophobicContact CG2-CD 4.47Å; V107-K142 HydrophobicContact CG2-CG 4.29Å |
| 108 | E | 92.7 | Very high | 96.9 | Very high | 94 Ų | 94 | 42.5 Ų | 42.5 | 44% | 0.439 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 170.9 | 174.2 | -58 | 163.5 | -154.6 | 0 | 0 | 107.3 | G110 V111 K142 | E108-G110 PolarHBondContact O-N 2.85Å; E108-V111 HydrophobicContact CB-CB 3.98Å; E108-V111 HydrophobicContact CB-CG2 4.04Å; E108-V111 PolarHBondContact N-O 3.31Å; E108-V111 PolarHBondContact O-N 3.26Å; E108-V111 VanDerWaalsContact O-O 3.08Å; E108-K142 IonicContact OE1-NZ 2.75Å; E108-K142 PolarHBondContact OE1-NZ 3.4Å |
| 109 | R | 90.8 | Very high | 97 | Very high | 243 Ų | 243 | 37.7 Ų | 37.7 | 92% | 0.917 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 113.2 | 178.8 | -175.8 | 178.1 | 177.9 | 174.2 | -0.2 | 111.3 | V111 | R109-V111 PolarHBondContact O-N 2.97Š|
| 110 | G | 93.3 | Very high | 97 | Very high | 45 Ų | 45 | 36.4 Ų | 36.4 | 46% | 0.464 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | E108 R144 E145 | E108-G110 PolarHBondContact O-N 2.85Å; G110-R144 CarbonylContact O-C 3.54Å; G110-R144 WeakPolarHBondContact O-CA 3.39Å; G110-E145 PolarHBondContact O-N 2.51Å |
| 111 | V | 97.3 | Very high | 97 | Very high | 8 Ų | 8 | 37.1 Ų | 37.1 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 130.6 | 176.4 | -172.1 | 0 | 0 | 0 | 0 | 109.1 | P106 V107 E108 R109 K142 F143 R144 A158 | P106-V111 WeakPolarHBondContact CA-O 3.38Å; V107-V111 HydrophobicContact CG2-CB 4.03Å; V107-V111 HydrophobicContact CG2-CG1 3.68Å; V107-V111 PolarHBondContact N-O 3.25Å; E108-V111 HydrophobicContact CB-CB 3.98Å; E108-V111 HydrophobicContact CB-CG2 4.04Å; E108-V111 PolarHBondContact N-O 3.31Å; E108-V111 PolarHBondContact O-N 3.26Å; E108-V111 VanDerWaalsContact O-O 3.08Å; R109-V111 PolarHBondContact O-N 2.97Å; V111-K142 HydrophobicContact CG1-CB 3.88Å; V111-K142 HydrophobicContact CG1-CG 4.42Å; V111-F143 CarbonylContact C-O 3.51Å; V111-F143 WeakPolarHBondContact CA-O 3.18Å; V111-R144 HydrophobicContact CG2-CG 4.05Å; V111-A158 HydrophobicContact CG1-CB 4.45Å |
| 112 | V | 97.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 156.5 | -178 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | I104 S105 L114 F143 E145 Y155 | I104-V112 HydrophobicContact CG2-CB 3.76Å; I104-V112 HydrophobicContact CG2-CG1 3.86Å; I104-V112 HydrophobicContact CG2-CG2 4.01Å; S105-V112 CarbonylContact O-C 3.55Å; S105-V112 WeakPolarHBondContact O-CA 3.31Å; V112-L114 HydrophobicContact CG2-CD2 4.28Å; V112-F143 PolarHBondContact N-O 2.82Å; V112-F143 PolarHBondContact O-N 3.31Å; V112-E145 HydrophobicContact CG1-CB 4.39Å; V112-E145 HydrophobicContact CG2-CB 4.27Å; V112-Y155 HydrophobicContact CG2-CD1 4.1Å; V112-Y155 HydrophobicContact CG2-CE1 4Å |
| 113 | T | 98.6 | Very high | 97.1 | Very high | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 153.1 | 157.5 | 55.7 | 0 | 0 | 0 | 0 | 109.3 | I104 S105 V107 Y137 | I104-T113 WeakPolarHBondContact CA-O 3.4Å; S105-T113 WeakPolarHBondContact CB-OG1 3.49Å; S105-T113 PolarHBondContact N-O 2.76Å; S105-T113 PolarHBondContact O-N 2.85Å; S105-T113 PolarHBondContact O-OG1 2.84Å; V107-T113 HydrophobicContact CG1-CG2 3.7Å; T113-Y137 HydrophobicContact CG2-CD2 4.08Å; T113-Y137 HydrophobicContact CG2-CE2 3.59Å |
| 114 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 106.8 | 175.7 | -57.4 | 172.2 | 0 | 0 | 0 | 107.6 | L72 I104 V112 F122 V123 F143 Y155 L165 | L72-L114 HydrophobicContact CD1-CD1 3.88Å; L72-L114 HydrophobicContact CD1-CD2 4.07Å; I104-L114 HydrophobicContact CB-CD2 4.2Å; I104-L114 HydrophobicContact CD1-CD2 4.13Å; I104-L114 HydrophobicContact CG1-CD2 3.69Å; I104-L114 HydrophobicContact CG2-CD2 3.92Å; V112-L114 HydrophobicContact CG2-CD2 4.28Å; L114-F122 CarbonylContact O-C 3.49Å; L114-F122 WeakPolarHBondContact O-CA 3.34Å; L114-V123 HydrophobicContact CB-CB 3.96Å; L114-V123 HydrophobicContact CB-CG2 3.86Å; L114-V123 HydrophobicContact CD1-CB 4.49Å; L114-V123 PolarHBondContact O-N 3.38Å; L114-F143 HydrophobicContact CD1-CD2 4.26Å; L114-F143 HydrophobicContact CG-CD2 4.45Å; L114-Y155 HydrophobicContact CD1-CD1 4.36Å; L114-Y155 HydrophobicContact CD2-CE1 4.31Å; L114-L165 HydrophobicContact CD1-CD2 3.69Å |
| 115 | L | 98.8 | Very high | 97.1 | Very high | 34 Ų | 34 | 36.1 Ų | 36.1 | 18% | 0.178 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 123.7 | 179.9 | 176.6 | 66.5 | 0 | 0 | 0 | 109.8 | L102 Q103 V117 F122 | L102-L115 CarbonylContact C-O 3.53Å; L102-L115 VanDerWaalsContact CA-O 3.24Å; L102-L115 WeakPolarHBondContact CA-O 3.32Å; Q103-L115 HydrophobicContact CB-CB 4.3Å; Q103-L115 PolarHBondContact N-O 2.8Å; Q103-L115 PolarHBondContact O-N 3.36Å; L115-V117 PolarHBondContact O-N 2.97Å; L115-F122 HydrophobicContact CB-CD1 4.15Å; L115-F122 HydrophobicContact CB-CE1 4.11Å; L115-F122 HydrophobicContact CD1-CD1 4.09Å; L115-F122 HydrophobicContact CD1-CD2 4.2Å; L115-F122 HydrophobicContact CD1-CE1 4.09Å; L115-F122 HydrophobicContact CD1-CE2 4.19Å; L115-F122 HydrophobicContact CD1-CG 4.15Å; L115-F122 HydrophobicContact CD1-CZ 4.14Å |
| 116 | G | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 111.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | H118 S119 G120 L121 | G116-H118 VanDerWaalsContact C-N 3.33Å; G116-H118 PolarHBondContact O-N 2.9Å; G116-S119 PolarHBondContact O-N 2.81Å; G116-G120 WeakPolarHBondContact O-CA 3.49Å; G116-G120 PolarHBondContact O-N 3.32Å; G116-L121 PolarHBondContact N-O 2.92Å |
| 117 | V | 98.1 | Very high | 97.4 | Very high | 51 Ų | 51 | 45.3 Ų | 45.3 | 31% | 0.309 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -45.3 | -171.8 | 176 | 0 | 0 | 0 | 0 | 111 | L69 L101 Q103 L115 | L69-V117 HydrophobicContact CD2-CG2 3.78Å; L101-V117 HydrophobicContact CD2-CB 4.36Å; L101-V117 HydrophobicContact CD2-CG1 4.45Å; L101-V117 HydrophobicContact CD2-CG2 4.29Å; L101-V117 HydrophobicContact CG-CB 4.42Å; L101-V117 HydrophobicContact CG-CG2 4.07Å; L101-V117 PolarHBondContact O-N 2.82Å; Q103-V117 HydrophobicContact CB-CG2 4.09Å; L115-V117 PolarHBondContact O-N 2.97Å |
| 118 | H | 98.1 | Very high | 97.6 | Very high | 85 Ų | 85 | 53.2 Ų | 53.2 | 39% | 0.394 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -34.2 | -175.7 | -168.6 | 47.1 | 0 | 0 | 0 | 113.4 | R98 Y99 G116 | R98-H118 HydrophobicContact CB-CB 4.38Å; R98-H118 VanDerWaalsContact O-CB 3.29Å; R98-H118 WeakPolarHBondContact O-CB 3.29Å; Y99-H118 HydrophobicContact CD1-CB 4.22Å; Y99-H118 AromaticContact CD1-CD2 3.58Å; Y99-H118 HydrophobicContact CE1-CB 4.49Å; Y99-H118 AromaticContact CE1-CD2 3.14Å; Y99-H118 WeakPolarHBondContact CE1-CD2 3.37Å; Y99-H118 AromaticContact CE1-NE2 3.89Å; Y99-H118 AromaticContact CZ-CD2 3.56Å; Y99-H118 AromaticContact CZ-NE2 3.94Å; G116-H118 VanDerWaalsContact C-N 3.33Å; G116-H118 PolarHBondContact O-N 2.9Å |
| 119 | S | 98.4 | Very high | 97.9 | Very high | 23 Ų | 23 | 48.7 Ų | 48.7 | 16% | 0.161 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -19.4 | 178.1 | 48.3 | 0 | 0 | 0 | 0 | 113.6 | V84 G116 L121 | V84-S119 WeakPolarHBondContact CG1-OG 3.46Å; V84-S119 VanDerWaalsContact O-CB 3.25Å; V84-S119 WeakPolarHBondContact O-CB 3.43Å; V84-S119 PolarHBondContact O-OG 3.35Å; G116-S119 PolarHBondContact O-N 2.81Å; S119-L121 PolarHBondContact O-N 3.19Å |
| 120 | G | 98.3 | Very high | 98.3 | Very high | 38 Ų | 38 | 42.1 Ų | 42.1 | 39% | 0.392 | 21% | 0.21 | S | C | . | . | trans | 69.5 | 11.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | G116 | G116-G120 WeakPolarHBondContact O-CA 3.49Å; G116-G120 PolarHBondContact O-N 3.32Å | ||
| 121 | L | 98.9 | Very high | 98.5 | Very high | 16 Ų | 16 | 40.2 Ų | 40.2 | 8% | 0.084 | 19% | 0.189 | C | C | . | . | trans | -104.1 | 135.4 | -175.7 | -58.1 | -179.3 | 0 | 0 | 0 | 111.5 | V84 L85 G116 S119 S134 L135 | V84-L121 HydrophobicContact CG1-CB 3.82Å; L85-L121 WeakPolarHBondContact O-CD1 3.05Å; G116-L121 PolarHBondContact N-O 2.92Å; S119-L121 PolarHBondContact O-N 3.19Å; L121-S134 CarbonylContact C-O 3.52Å; L121-S134 WeakPolarHBondContact CA-O 3.35Å; L121-L135 HydrophobicContact CD2-CB 4.07Å; L121-L135 HydrophobicContact CD2-CD1 4.07Å | ||
| 122 | F | 98.9 | Very high | 98.6 | Very high | 39 Ų | 39 | 42.8 Ų | 42.8 | 17% | 0.171 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 137.3 | 169.3 | -68.7 | -81.7 | 0 | 0 | 0 | 110.3 | L114 L115 A124 G133 S134 C141 | L114-F122 CarbonylContact O-C 3.49Å; L114-F122 WeakPolarHBondContact O-CA 3.34Å; L115-F122 HydrophobicContact CB-CD1 4.15Å; L115-F122 HydrophobicContact CB-CE1 4.11Å; L115-F122 HydrophobicContact CD1-CD1 4.09Å; L115-F122 HydrophobicContact CD1-CD2 4.2Å; L115-F122 HydrophobicContact CD1-CE1 4.09Å; L115-F122 HydrophobicContact CD1-CE2 4.19Å; L115-F122 HydrophobicContact CD1-CG 4.15Å; L115-F122 HydrophobicContact CD1-CZ 4.14Å; F122-A124 PolarHBondContact O-N 3.06Å; F122-G133 CarbonylContact O-C 3.4Å; F122-G133 VanDerWaalsContact O-CA 3.31Å; F122-G133 WeakPolarHBondContact O-CA 3.47Å; F122-S134 PolarHBondContact N-O 3.21Å; F122-S134 PolarHBondContact O-N 2.71Å; F122-C141 HydrophobicContact CB-CB 4.12Å; F122-C141 HydrophobicContact CG-CB 4.49Å |
| 123 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 128.5 | 160.2 | 178.1 | 0 | 0 | 0 | 0 | 107.6 | V84 I90 L114 L131 C141 F143 L165 | V84-V123 HydrophobicContact CG2-CG2 3.65Å; I90-V123 HydrophobicContact CD1-CB 4.08Å; I90-V123 HydrophobicContact CD1-CG1 3.74Å; I90-V123 HydrophobicContact CD1-CG2 4Å; L114-V123 HydrophobicContact CB-CB 3.96Å; L114-V123 HydrophobicContact CB-CG2 3.86Å; L114-V123 HydrophobicContact CD1-CB 4.49Å; L114-V123 PolarHBondContact O-N 3.38Å; V123-L131 HydrophobicContact CG1-CD2 4.47Å; V123-C141 WeakPolarHBondContact O-CA 3.34Å; V123-F143 HydrophobicContact CB-CE2 4.28Å; V123-F143 HydrophobicContact CG1-CE2 3.99Å; V123-F143 HydrophobicContact CG1-CZ 4.01Å; V123-F143 VanDerWaalsContact O-CE2 3.29Å; V123-F143 WeakPolarHBondContact O-CE2 3.48Å; V123-L165 HydrophobicContact CG1-CD2 4.37Å |
| 124 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 155.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | F122 L131 Y132 E140 | F122-A124 PolarHBondContact O-N 3.06Å; A124-L131 WeakPolarHBondContact O-CA 3.49Å; A124-Y132 HydrophobicContact CB-CD1 4.09Å; A124-Y132 HydrophobicContact CB-CD2 4.34Å; A124-Y132 HydrophobicContact CB-CE1 3.59Å; A124-Y132 HydrophobicContact CB-CE2 3.86Å; A124-Y132 HydrophobicContact CB-CG 4.44Å; A124-Y132 VanDerWaalsContact CB-CZ 3.46Å; A124-Y132 PolarHBondContact N-O 3.25Å; A124-Y132 PolarHBondContact O-N 3.41Å; A124-E140 VanDerWaalsContact CA-O 3.29Å; A124-E140 WeakPolarHBondContact CA-O 3.29Å; A124-E140 HydrophobicContact CB-CB 4.3Å |
| 125 | M | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 123 | 175.5 | -171.7 | -174.2 | -63.8 | 0 | 0 | 111 | K130 L131 E140 F143 Y160 M163 F164 L165 | M125-K130 WeakPolarHBondContact CA-O 3.46Å; M125-L131 HydrophobicContact CB-CD2 3.92Å; M125-L131 HydrophobicContact CE-CD2 3.58Å; M125-L131 HydrophobicContact CG-CD2 4.12Å; M125-E140 PolarHBondContact N-O 2.98Å; M125-E140 WeakPolarHBondContact O-CB 3.42Å; M125-F143 HydrophobicContact CB-CE1 3.98Å; M125-F143 HydrophobicContact CB-CZ 4.23Å; M125-F143 HydrophobicContact CE-CE1 4.35Å; M125-Y160 WeakPolarHBondContact O-CD2 3.14Å; M125-Y160 VanDerWaalsContact O-CE2 3.28Å; M125-Y160 WeakPolarHBondContact O-CE2 3.48Å; M125-M163 HydrophobicContact SD-CB 3.54Å; M125-M163 VanDerWaalsContact SD-CB 3.54Å; M125-M163 HydrophobicContact SD-SD 4.39Å; M125-F164 VanDerWaalsContact CE-C 3.46Å; M125-F164 WeakPolarHBondContact CE-O 3.44Å; M125-L165 HydrophobicContact CE-CD1 3.93Å |
| 126 | N | 98.7 | Very high | 98.5 | Very high | 39 Ų | 39 | 54.5 Ų | 54.5 | 21% | 0.209 | 26% | 0.26 | C | S | . | . | trans | -82.8 | 169.7 | 178.4 | 72.7 | 20.7 | 0 | 0 | 0 | 113.7 | R128 G129 K130 Y132 E140 | N126-R128 PolarHBondContact O-N 3.33Å; N126-R128 WeakPolarHBondContact OD1-CA 3.5Å; N126-R128 WeakPolarHBondContact OD1-CB 3.37Å; N126-R128 PolarHBondContact OD1-N 3.45Å; N126-G129 WeakPolarHBondContact O-CA 3.28Å; N126-G129 PolarHBondContact O-N 3.38Å; N126-G129 PolarHBondContact OD1-N 2.88Å; N126-K130 PolarHBondContact N-O 3.49Å; N126-K130 WeakPolarHBondContact ND2-CB 3.25Å; N126-K130 WeakPolarHBondContact OD1-CB 3.29Å; N126-K130 PolarHBondContact OD1-N 3.01Å; N126-Y132 HydrophobicContact CB-CD1 4.44Å; N126-Y132 HydrophobicContact CB-CE1 3.95Å; N126-E140 VanDerWaalsContact CA-OE1 3.31Å; N126-E140 WeakPolarHBondContact CA-OE1 3.28Å | ||
| 127 | R | 98.6 | Very high | 98.4 | Very high | 196 Ų | 196 | 60 Ų | 60 | 74% | 0.74 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -23.2 | 178.3 | -165.6 | 175.4 | -176.3 | -130.7 | 1 | 114.9 | G129 Y160 | R127-G129 VanDerWaalsContact C-N 3.26Å; R127-Y160 VanDerWaalsContact CA-CZ 3.48Å; R127-Y160 HydrophobicContact CB-CD1 4.36Å; R127-Y160 HydrophobicContact CB-CE1 3.7Å; R127-Y160 HydrophobicContact CB-CE2 4.19Å; R127-Y160 HydrophobicContact CG-CD1 4.17Å; R127-Y160 HydrophobicContact CG-CE1 3.7Å |
| 128 | R | 98.5 | Very high | 98.4 | Very high | 197 Ų | 197 | 59.5 Ų | 59.5 | 74% | 0.743 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 11.6 | 175.7 | -58 | -175.8 | -177.5 | -178.5 | 3 | 112.5 | N126 K130 R175 | N126-R128 PolarHBondContact O-N 3.33Å; N126-R128 WeakPolarHBondContact OD1-CA 3.5Å; N126-R128 WeakPolarHBondContact OD1-CB 3.37Å; N126-R128 PolarHBondContact OD1-N 3.45Å; R128-K130 PolarHBondContact O-N 2.92Å; R128-R175 WeakPolarHBondContact O-CD 3.46Å; R128-R175 PolarHBondContact O-NH1 2.7Å |
| 129 | G | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | 64.4 | 19.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | N126 R127 R175 G176 | N126-G129 WeakPolarHBondContact O-CA 3.28Å; N126-G129 PolarHBondContact O-N 3.38Å; N126-G129 PolarHBondContact OD1-N 2.88Å; R127-G129 VanDerWaalsContact C-N 3.26Å; G129-R175 CarbonylContact O-C 3.5Å; G129-R175 VanDerWaalsContact O-CA 3.31Å; G129-R175 WeakPolarHBondContact O-CA 3.46Å; G129-G176 PolarHBondContact O-N 3.18Å | ||
| 130 | K | 98.6 | Very high | 98.4 | Very high | 104 Ų | 104 | 61.2 Ų | 61.2 | 45% | 0.452 | 29% | 0.289 | S | S | . | . | trans | -80.7 | 129.9 | 175.2 | -157.4 | -173.5 | 167.4 | -173.4 | 0 | 109 | M125 N126 R128 R175 | M125-K130 WeakPolarHBondContact CA-O 3.46Å; N126-K130 PolarHBondContact N-O 3.49Å; N126-K130 WeakPolarHBondContact ND2-CB 3.25Å; N126-K130 WeakPolarHBondContact OD1-CB 3.29Å; N126-K130 PolarHBondContact OD1-N 3.01Å; R128-K130 PolarHBondContact O-N 2.92Å; K130-R175 VanDerWaalsContact CB-NH1 3.33Å | ||
| 131 | L | 98.8 | Very high | 98.4 | Very high | 6 Ų | 6 | 59.4 Ų | 59.4 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 139.9 | 165.6 | -64.1 | -178.7 | 0 | 0 | 0 | 110.6 | I90 V123 A124 M125 L165 T173 | I90-L131 HydrophobicContact CB-CB 4.34Å; I90-L131 HydrophobicContact CD1-CB 4.22Å; I90-L131 HydrophobicContact CG2-CD1 4.49Å; V123-L131 HydrophobicContact CG1-CD2 4.47Å; A124-L131 WeakPolarHBondContact O-CA 3.49Å; M125-L131 HydrophobicContact CB-CD2 3.92Å; M125-L131 HydrophobicContact CE-CD2 3.58Å; M125-L131 HydrophobicContact CG-CD2 4.12Å; L131-L165 HydrophobicContact CD1-CG 4.12Å; L131-L165 HydrophobicContact CD2-CD1 3.99Å; L131-L165 HydrophobicContact CD2-CG 4.1Å; L131-T173 HydrophobicContact CB-CG2 4.17Å; L131-T173 HydrophobicContact CD1-CG2 3.89Å |
| 132 | Y | 98.9 | Very high | 98.4 | Very high | 62 Ų | 62 | 60.1 Ų | 60.1 | 24% | 0.243 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 156.8 | 175.5 | 70.2 | -79.4 | 0 | 0 | 0 | 110.6 | I90 A124 N126 E140 | I90-Y132 VanDerWaalsContact CD1-C 3.4Å; I90-Y132 VanDerWaalsContact CD1-O 3.29Å; I90-Y132 WeakPolarHBondContact CD1-O 3.48Å; A124-Y132 HydrophobicContact CB-CD1 4.09Å; A124-Y132 HydrophobicContact CB-CD2 4.34Å; A124-Y132 HydrophobicContact CB-CE1 3.59Å; A124-Y132 HydrophobicContact CB-CE2 3.86Å; A124-Y132 HydrophobicContact CB-CG 4.44Å; A124-Y132 VanDerWaalsContact CB-CZ 3.46Å; A124-Y132 PolarHBondContact N-O 3.25Å; A124-Y132 PolarHBondContact O-N 3.41Å; N126-Y132 HydrophobicContact CB-CD1 4.44Å; N126-Y132 HydrophobicContact CB-CE1 3.95Å; Y132-E140 VanDerWaalsContact CE1-OE2 3.29Å; Y132-E140 WeakPolarHBondContact CE1-OE2 3.32Å; Y132-E140 VanDerWaalsContact CZ-OE2 3.29Å; Y132-E140 PolarHBondContact OH-OE2 3.02Å |
| 133 | G | 98.8 | Very high | 98.4 | Very high | 14 Ų | 14 | 58.2 Ų | 58.2 | 14% | 0.144 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 124.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | G88 F122 | G88-G133 PolarHBondContact O-N 3.37Å; F122-G133 CarbonylContact O-C 3.4Å; F122-G133 VanDerWaalsContact O-CA 3.31Å; F122-G133 WeakPolarHBondContact O-CA 3.47Å |
| 134 | S | 98.6 | Very high | 98.4 | Very high | 17 Ų | 17 | 63.2 Ų | 63.2 | 12% | 0.119 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 131.9 | 176.7 | -173.9 | 0 | 0 | 0 | 0 | 110.7 | L121 F122 H136 | L121-S134 CarbonylContact C-O 3.52Å; L121-S134 WeakPolarHBondContact CA-O 3.35Å; F122-S134 PolarHBondContact N-O 3.21Å; F122-S134 PolarHBondContact O-N 2.71Å; S134-H136 VanDerWaalsContact C-N 3.31Å; S134-H136 PolarHBondContact OG-N 3.36Å; S134-H136 PolarHBondContact OG-O 3Å |
| 135 | L | 98.1 | Very high | 98.3 | Very high | 120 Ų | 120 | 65.3 Ų | 65.3 | 63% | 0.628 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -71.1 | -31.8 | 171.7 | -175.7 | 63.9 | 0 | 0 | 0 | 111.6 | L121 | L121-L135 HydrophobicContact CD2-CB 4.07Å; L121-L135 HydrophobicContact CD2-CD1 4.07Å |
| 136 | H | 96.3 | Very high | 98.3 | Very high | 137 Ų | 137 | 69.6 Ų | 69.6 | 63% | 0.634 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -106.2 | 136.9 | -176.3 | -57.6 | -60.9 | 0 | 0 | 0 | 111.1 | S134 | S134-H136 VanDerWaalsContact C-N 3.31Å; S134-H136 PolarHBondContact OG-N 3.36Å; S134-H136 PolarHBondContact OG-O 3Å |
| 137 | Y | 96.9 | Very high | 98.2 | Very high | 116 Ų | 116 | 73.6 Ų | 73.6 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | trans | -65.2 | 136.6 | 171.6 | 172.6 | -101.5 | 0 | 0 | 0 | 110.9 | T113 C141 K142 | T113-Y137 HydrophobicContact CG2-CD2 4.08Å; T113-Y137 HydrophobicContact CG2-CE2 3.59Å; Y137-C141 HydrophobicContact CD2-CB 4.25Å; Y137-K142 HydrophobicContact CE2-CG 4.45Å; Y137-K142 WeakPolarHBondContact OH-CE 3.29Å | ||
| 138 | S | 97.6 | Very high | 98.2 | Very high | 40 Ų | 40 | 65.7 Ų | 65.7 | 28% | 0.28 | 31% | 0.305 | S | S | . | . | trans | -154.6 | 174.9 | 178 | 75 | 0 | 0 | 0 | 0 | 110.9 | E140 C141 | S138-E140 PolarHBondContact O-N 3.31Å; S138-E140 PolarHBondContact OG-N 3.19Å; S138-C141 PolarHBondContact N-SG 2.84Å; S138-C141 VanDerWaalsContact O-CB 3.3Å; S138-C141 WeakPolarHBondContact O-CB 3.29Å; S138-C141 PolarHBondContact O-N 3Å | ||
| 139 | N | 97.9 | Very high | 98.1 | Very high | 107 Ų | 107 | 61.6 Ų | 61.6 | 57% | 0.572 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -59.7 | -26.5 | 173.7 | -72.1 | -32.2 | 0 | 0 | 0 | 113.1 | C141 K142 A159 | N139-C141 PolarHBondContact O-N 3.41Å; N139-K142 PolarHBondContact O-N 2.79Å; N139-A159 HydrophobicContact CB-CB 4.37Å |
| 140 | E | 98.7 | Very high | 97.9 | Very high | 37 Ų | 37 | 65 Ų | 65 | 17% | 0.173 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -70.7 | -13.9 | 175.9 | -64.3 | -162.4 | 156.9 | 0 | 0 | 113.2 | A124 M125 N126 Y132 S138 Y160 | A124-E140 VanDerWaalsContact CA-O 3.29Å; A124-E140 WeakPolarHBondContact CA-O 3.29Å; A124-E140 HydrophobicContact CB-CB 4.3Å; M125-E140 PolarHBondContact N-O 2.98Å; M125-E140 WeakPolarHBondContact O-CB 3.42Å; N126-E140 VanDerWaalsContact CA-OE1 3.31Å; N126-E140 WeakPolarHBondContact CA-OE1 3.28Å; Y132-E140 VanDerWaalsContact CE1-OE2 3.29Å; Y132-E140 WeakPolarHBondContact CE1-OE2 3.32Å; Y132-E140 VanDerWaalsContact CZ-OE2 3.29Å; Y132-E140 PolarHBondContact OH-OE2 3.02Å; S138-E140 PolarHBondContact O-N 3.31Å; S138-E140 PolarHBondContact OG-N 3.19Å; E140-Y160 HydrophobicContact CG-CE2 3.94Å; E140-Y160 WeakPolarHBondContact OE1-CE2 3.21Å; E140-Y160 PolarHBondContact OE1-OH 2.84Å |
| 141 | C | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -89.3 | -4 | 178.7 | -54.9 | 0 | 0 | 0 | 0 | 113.6 | F122 V123 Y137 S138 N139 F143 | F122-C141 HydrophobicContact CB-CB 4.12Å; F122-C141 HydrophobicContact CG-CB 4.49Å; V123-C141 WeakPolarHBondContact O-CA 3.34Å; Y137-C141 HydrophobicContact CD2-CB 4.25Å; S138-C141 PolarHBondContact N-SG 2.84Å; S138-C141 VanDerWaalsContact O-CB 3.3Å; S138-C141 WeakPolarHBondContact O-CB 3.29Å; S138-C141 PolarHBondContact O-N 3Å; N139-C141 PolarHBondContact O-N 3.41Å; C141-F143 WeakPolarHBondContact O-CD2 3.42Å; C141-F143 WeakPolarHBondContact O-CE2 3.47Å |
| 142 | K | 98.7 | Very high | 97.7 | Very high | 31 Ų | 31 | 67.9 Ų | 67.9 | 14% | 0.135 | 35% | 0.349 | C | S | . | . | trans | -94.6 | 129.6 | -176.9 | -67.2 | -175.7 | 174.6 | -175.3 | 0 | 110.9 | V107 E108 V111 Y137 N139 A158 | V107-K142 HydrophobicContact CG2-CD 4.47Å; V107-K142 HydrophobicContact CG2-CG 4.29Å; E108-K142 IonicContact OE1-NZ 2.75Å; E108-K142 PolarHBondContact OE1-NZ 3.4Å; V111-K142 HydrophobicContact CG1-CB 3.88Å; V111-K142 HydrophobicContact CG1-CG 4.42Å; Y137-K142 HydrophobicContact CE2-CG 4.45Å; Y137-K142 WeakPolarHBondContact OH-CE 3.29Å; N139-K142 PolarHBondContact O-N 2.79Å; K142-A158 HydrophobicContact CB-CB 3.7Å; K142-A158 WeakPolarHBondContact O-CB 3.36Å; K142-A158 PolarHBondContact O-N 2.98Å | ||
| 143 | F | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 133.7 | 177.4 | -57.4 | -80.8 | 0 | 0 | 0 | 112.2 | V111 V112 L114 V123 M125 C141 E145 Y155 E156 L165 | V111-F143 CarbonylContact C-O 3.51Å; V111-F143 WeakPolarHBondContact CA-O 3.18Å; V112-F143 PolarHBondContact N-O 2.82Å; V112-F143 PolarHBondContact O-N 3.31Å; L114-F143 HydrophobicContact CD1-CD2 4.26Å; L114-F143 HydrophobicContact CG-CD2 4.45Å; V123-F143 HydrophobicContact CB-CE2 4.28Å; V123-F143 HydrophobicContact CG1-CE2 3.99Å; V123-F143 HydrophobicContact CG1-CZ 4.01Å; V123-F143 VanDerWaalsContact O-CE2 3.29Å; V123-F143 WeakPolarHBondContact O-CE2 3.48Å; M125-F143 HydrophobicContact CB-CE1 3.98Å; M125-F143 HydrophobicContact CB-CZ 4.23Å; M125-F143 HydrophobicContact CE-CE1 4.35Å; C141-F143 WeakPolarHBondContact O-CD2 3.42Å; C141-F143 WeakPolarHBondContact O-CE2 3.47Å; F143-E145 PolarHBondContact O-N 2.96Å; F143-Y155 HydrophobicContact CB-CD1 4.35Å; F143-E156 CarbonylContact C-O 3.57Å; F143-E156 WeakPolarHBondContact CA-O 3.49Å; F143-L165 HydrophobicContact CD1-CD1 3.35Å; F143-L165 HydrophobicContact CE1-CD1 3.22Å; F143-L165 HydrophobicContact CE2-CD1 4.47Å; F143-L165 HydrophobicContact CG-CD1 4.08Å; F143-L165 HydrophobicContact CZ-CD1 3.83Å |
| 144 | R | 98.6 | Very high | 97.7 | Very high | 105 Ų | 105 | 65.2 Ų | 65.2 | 40% | 0.396 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 114.5 | 168.4 | -66.4 | 172.2 | 178.6 | 151.9 | 0.1 | 108.9 | G110 V111 Y155 E156 | G110-R144 CarbonylContact O-C 3.54Å; G110-R144 WeakPolarHBondContact O-CA 3.39Å; V111-R144 HydrophobicContact CG2-CG 4.05Å; R144-Y155 WeakPolarHBondContact O-CA 3.23Å; R144-E156 HydrophobicContact CB-CB 4.25Å; R144-E156 PolarHBondContact N-O 2.98Å; R144-E156 PolarHBondContact O-N 3.04Å |
| 145 | E | 97.7 | Very high | 97.7 | Very high | 44 Ų | 44 | 64.4 Ų | 64.4 | 21% | 0.206 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 113.9 | 173.8 | -176.4 | 178 | -142.6 | 0 | 0 | 108.5 | R68 G110 V112 F143 N153 Y155 | R68-E145 IonicContact CZ-OE1 3.84Å; R68-E145 IonicContact CZ-OE2 3.71Å; R68-E145 IonicContact NH1-OE1 3.72Å; R68-E145 PolarHBondContact NH1-OE1 3.07Å; R68-E145 IonicContact NH1-OE2 3.41Å; R68-E145 IonicContact NH2-OE1 3.35Å; R68-E145 PolarHBondContact NH2-OE1 3.15Å; R68-E145 IonicContact NH2-OE2 2.76Å; R68-E145 PolarHBondContact NH2-OE2 2.85Å; G110-E145 PolarHBondContact O-N 2.51Å; V112-E145 HydrophobicContact CG1-CB 4.39Å; V112-E145 HydrophobicContact CG2-CB 4.27Å; F143-E145 PolarHBondContact O-N 2.96Å; E145-N153 HydrophobicContact CG-CB 4.23Å; E145-N153 PolarHBondContact OE1-ND2 2.93Å; E145-Y155 HydrophobicContact CB-CD1 4.19Å; E145-Y155 HydrophobicContact CB-CE1 3.93Å; E145-Y155 HydrophobicContact CG-CD1 4.36Å; E145-Y155 HydrophobicContact CG-CE1 3.72Å; E145-Y155 PolarHBondContact OE1-OH 3.5Å |
| 146 | K | 97.9 | Very high | 97.7 | Very high | 89 Ų | 89 | 59.2 Ų | 59.2 | 39% | 0.387 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 121 | -178.9 | -70.2 | -179.8 | 167.8 | 177.6 | 0 | 110 | N153 A154 E156 | K146-N153 CarbonylContact O-C 3.56Å; K146-N153 VanDerWaalsContact O-CA 3.27Å; K146-N153 WeakPolarHBondContact O-CA 3.39Å; K146-A154 PolarHBondContact N-O 3.04Å; K146-A154 PolarHBondContact O-N 2.93Å; K146-E156 WeakPolarHBondContact CE-OE2 3.27Å; K146-E156 IonicContact NZ-OE2 3.83Å; K146-E156 PolarHBondContact NZ-OE2 2.78Å |
| 147 | L | 97.8 | Very high | 97.8 | Very high | 123 Ų | 123 | 52.7 Ų | 52.7 | 64% | 0.644 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 130.1 | 169.4 | -175 | 64.7 | 0 | 0 | 0 | 109.5 | N153 | L147-N153 WeakPolarHBondContact CD1-OD1 3.43Å |
| 148 | L | 97.7 | Very high | 97.9 | Very high | 30 Ų | 30 | 48.5 Ų | 48.5 | 16% | 0.157 | 26% | 0.261 | C | S | . | . | trans | -98.5 | 161.8 | 177.8 | -55.7 | 179.1 | 0 | 0 | 0 | 110.8 | N150 N151 Y152 A154 P181 H187 | L148-N150 VanDerWaalsContact CB-OD1 3.32Å; L148-N150 WeakPolarHBondContact CB-OD1 3.48Å; L148-N150 PolarHBondContact O-N 3.41Å; L148-N150 VanDerWaalsContact O-N 3.08Å; L148-N151 PolarHBondContact O-N 3.41Å; L148-Y152 VanDerWaalsContact CB-O 3.26Å; L148-Y152 WeakPolarHBondContact CB-O 3.45Å; L148-Y152 WeakPolarHBondContact CG-O 3.34Å; L148-Y152 PolarHBondContact N-O 2.79Å; L148-A154 HydrophobicContact CD1-CB 4.07Å; L148-A154 HydrophobicContact CD2-CB 3.98Å; L148-A154 HydrophobicContact CG-CB 4.21Å; L148-P181 HydrophobicContact CD2-CB 4.09Å; L148-H187 WeakPolarHBondContact CD1-CD2 3.39Å; L148-H187 WeakPolarHBondContact CD1-NE2 3.34Å | ||
| 149 | A | 95.8 | Very high | 97.9 | Very high | 112 Ų | 112 | 48.3 Ų | 48.3 | 93% | 0.926 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -21.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N151 | A149-N151 VanDerWaalsContact C-N 3.34Š|
| 150 | N | 94.4 | Very high | 98 | Very high | 72 Ų | 72 | 45.8 Ų | 45.8 | 39% | 0.385 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 14.2 | 176.8 | 67.2 | -12 | 0 | 0 | 0 | 113.6 | L148 Y152 H187 | L148-N150 VanDerWaalsContact CB-OD1 3.32Å; L148-N150 WeakPolarHBondContact CB-OD1 3.48Å; L148-N150 PolarHBondContact O-N 3.41Å; L148-N150 VanDerWaalsContact O-N 3.08Å; N150-Y152 HydrophobicContact CB-CD2 4.47Å; N150-Y152 WeakPolarHBondContact O-CD2 3.42Å; N150-Y152 PolarHBondContact O-N 3.04Å; N150-Y152 PolarHBondContact OD1-N 3.45Å; N150-H187 PolarHBondContact ND2-CE1 3.49Å; N150-H187 PolarHBondContact ND2-ND1 2.77Å |
| 151 | N | 95.2 | Very high | 97.9 | Very high | 122 Ų | 122 | 47.5 Ų | 47.5 | 65% | 0.652 | 26% | 0.259 | S | S | * | . | S | Bend | trans | 65 | 14.5 | -178.3 | -54.6 | -49.7 | 0 | 0 | 0 | 115.5 | L148 A149 | L148-N151 PolarHBondContact O-N 3.41Å; A149-N151 VanDerWaalsContact C-N 3.34Å |
| 152 | Y | 98.3 | Very high | 97.9 | Very high | 48 Ų | 48 | 57.5 Ų | 57.5 | 19% | 0.188 | 30% | 0.297 | C | S | . | . | trans | -90.3 | 161.4 | 165.2 | -75.2 | -109.7 | 0 | 0 | 0 | 110 | N75 L148 N150 H187 L189 | N75-Y152 HydrophobicContact CB-CE1 4.38Å; L148-Y152 VanDerWaalsContact CB-O 3.26Å; L148-Y152 WeakPolarHBondContact CB-O 3.45Å; L148-Y152 WeakPolarHBondContact CG-O 3.34Å; L148-Y152 PolarHBondContact N-O 2.79Å; N150-Y152 HydrophobicContact CB-CD2 4.47Å; N150-Y152 WeakPolarHBondContact O-CD2 3.42Å; N150-Y152 PolarHBondContact O-N 3.04Å; N150-Y152 PolarHBondContact OD1-N 3.45Å; Y152-H187 HydrophobicContact CD1-CB 3.79Å; Y152-H187 HydrophobicContact CG-CB 3.9Å; Y152-L189 HydrophobicContact CD1-CB 3.86Å; Y152-L189 HydrophobicContact CE1-CB 3.67Å | ||
| 153 | N | 98.5 | Very high | 97.9 | Very high | 20 Ų | 20 | 57.6 Ų | 57.6 | 11% | 0.107 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 144.6 | 170.9 | -65.6 | -11.4 | 0 | 0 | 0 | 110.6 | E145 K146 L147 Y155 F188 | E145-N153 HydrophobicContact CG-CB 4.23Å; E145-N153 PolarHBondContact OE1-ND2 2.93Å; K146-N153 CarbonylContact O-C 3.56Å; K146-N153 VanDerWaalsContact O-CA 3.27Å; K146-N153 WeakPolarHBondContact O-CA 3.39Å; L147-N153 WeakPolarHBondContact CD1-OD1 3.43Å; N153-Y155 HydrophobicContact CB-CE2 3.99Å; N153-F188 PolarHBondContact N-O 3.24Å; N153-F188 PolarHBondContact O-N 3.06Å |
| 154 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 144.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | K146 L148 F164 | K146-A154 PolarHBondContact N-O 3.04Å; K146-A154 PolarHBondContact O-N 2.93Å; L148-A154 HydrophobicContact CD1-CB 4.07Å; L148-A154 HydrophobicContact CD2-CB 3.98Å; L148-A154 HydrophobicContact CG-CB 4.21Å; A154-F164 HydrophobicContact CB-CD1 4.2Å |
| 155 | Y | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 106.5 | -179.8 | -63.6 | -89.6 | 0 | 0 | 0 | 109.4 | L72 V112 L114 F143 R144 E145 N153 F164 L165 F188 | L72-Y155 HydrophobicContact CD1-CD2 4.38Å; L72-Y155 HydrophobicContact CD1-CE2 3.81Å; L72-Y155 HydrophobicContact CD2-CE2 3.99Å; L72-Y155 VanDerWaalsContact CD2-OH 3.24Å; L72-Y155 WeakPolarHBondContact CD2-OH 3.41Å; V112-Y155 HydrophobicContact CG2-CD1 4.1Å; V112-Y155 HydrophobicContact CG2-CE1 4Å; L114-Y155 HydrophobicContact CD1-CD1 4.36Å; L114-Y155 HydrophobicContact CD2-CE1 4.31Å; F143-Y155 HydrophobicContact CB-CD1 4.35Å; R144-Y155 WeakPolarHBondContact O-CA 3.23Å; E145-Y155 HydrophobicContact CB-CD1 4.19Å; E145-Y155 HydrophobicContact CB-CE1 3.93Å; E145-Y155 HydrophobicContact CG-CD1 4.36Å; E145-Y155 HydrophobicContact CG-CE1 3.72Å; E145-Y155 PolarHBondContact OE1-OH 3.5Å; N153-Y155 HydrophobicContact CB-CE2 3.99Å; Y155-F164 CarbonylContact O-C 3.52Å; Y155-F164 VanDerWaalsContact O-CA 3.29Å; Y155-F164 WeakPolarHBondContact O-CA 3.38Å; Y155-L165 HydrophobicContact CD2-CD2 4.46Å; Y155-L165 HydrophobicContact CG-CD2 4.31Å; Y155-L165 PolarHBondContact O-N 3.12Å; Y155-F188 HydrophobicContact CD2-CB 4.35Å; Y155-F188 HydrophobicContact CD2-CD2 4.06Å; Y155-F188 HydrophobicContact CD2-CG 4.47Å; Y155-F188 HydrophobicContact CE2-CB 3.9Å; Y155-F188 HydrophobicContact CE2-CD2 4.45Å; Y155-F188 HydrophobicContact CE2-CG 4.43Å |
| 156 | E | 98.8 | Very high | 97.9 | Very high | 11 Ų | 11 | 51 Ų | 51 | 5% | 0.051 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 136.8 | 177.9 | -168.3 | -178.2 | -165.7 | 0 | 0 | 110.3 | F143 R144 K146 A158 R162 M163 F164 | F143-E156 CarbonylContact C-O 3.57Å; F143-E156 WeakPolarHBondContact CA-O 3.49Å; R144-E156 HydrophobicContact CB-CB 4.25Å; R144-E156 PolarHBondContact N-O 2.98Å; R144-E156 PolarHBondContact O-N 3.04Å; K146-E156 WeakPolarHBondContact CE-OE2 3.27Å; K146-E156 IonicContact NZ-OE2 3.83Å; K146-E156 PolarHBondContact NZ-OE2 2.78Å; E156-A158 PolarHBondContact O-N 3.3Å; E156-R162 WeakPolarHBondContact OE1-CA 3.42Å; E156-R162 PolarHBondContact OE1-N 3.32Å; E156-M163 CarbonylContact C-O 3.47Å; E156-M163 WeakPolarHBondContact CA-O 3.39Å; E156-F164 HydrophobicContact CB-CD1 3.76Å; E156-F164 HydrophobicContact CB-CE1 3.4Å; E156-F164 HydrophobicContact CB-CZ 3.97Å; E156-F164 HydrophobicContact CG-CD1 4.18Å; E156-F164 HydrophobicContact CG-CE1 3.66Å; E156-F164 HydrophobicContact CG-CE2 4.23Å; E156-F164 HydrophobicContact CG-CZ 3.67Å |
| 157 | S | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 128.7 | 171.8 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | A159 Y160 M163 | S157-A159 PolarHBondContact OG-N 2.98Å; S157-Y160 WeakPolarHBondContact CB-O 3.41Å; S157-Y160 CarbonylContact O-C 3.56Å; S157-Y160 PolarHBondContact OG-N 3.18Å; S157-M163 PolarHBondContact N-O 2.85Å |
| 158 | A | 98.4 | Very high | 98 | Very high | 27 Ų | 27 | 41.5 Ų | 41.5 | 22% | 0.223 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -71.7 | -36.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V111 K142 E156 | V111-A158 HydrophobicContact CG1-CB 4.45Å; K142-A158 HydrophobicContact CB-CB 3.7Å; K142-A158 WeakPolarHBondContact O-CB 3.36Å; K142-A158 PolarHBondContact O-N 2.98Å; E156-A158 PolarHBondContact O-N 3.3Å |
| 159 | A | 98.3 | Very high | 98 | Very high | 37 Ų | 37 | 47.9 Ų | 47.9 | 31% | 0.306 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -71.5 | -33.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N139 S157 | N139-A159 HydrophobicContact CB-CB 4.37Å; S157-A159 PolarHBondContact OG-N 2.98Å |
| 160 | Y | 98.6 | Very high | 98.1 | Very high | 53 Ų | 53 | 47.4 Ų | 47.4 | 21% | 0.208 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -126.9 | 82.2 | -178 | -52.5 | -60.3 | 0 | 0 | 0 | 110.9 | M125 R127 E140 S157 M163 | M125-Y160 WeakPolarHBondContact O-CD2 3.14Å; M125-Y160 VanDerWaalsContact O-CE2 3.28Å; M125-Y160 WeakPolarHBondContact O-CE2 3.48Å; R127-Y160 VanDerWaalsContact CA-CZ 3.48Å; R127-Y160 HydrophobicContact CB-CD1 4.36Å; R127-Y160 HydrophobicContact CB-CE1 3.7Å; R127-Y160 HydrophobicContact CB-CE2 4.19Å; R127-Y160 HydrophobicContact CG-CD1 4.17Å; R127-Y160 HydrophobicContact CG-CE1 3.7Å; E140-Y160 HydrophobicContact CG-CE2 3.94Å; E140-Y160 WeakPolarHBondContact OE1-CE2 3.21Å; E140-Y160 PolarHBondContact OE1-OH 2.84Å; S157-Y160 WeakPolarHBondContact CB-O 3.41Å; S157-Y160 CarbonylContact O-C 3.56Å; S157-Y160 PolarHBondContact OG-N 3.18Å; Y160-M163 HydrophobicContact CG-SD 4.46Å; Y160-M163 WeakPolarHBondContact O-CB 3.39Å; Y160-M163 PolarHBondContact O-N 3.06Å |
| 161 | P | 97.6 | Very high | 98.2 | Very high | 73 Ų | 73 | 44.1 Ų | 44.1 | 47% | 0.474 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 147.9 | 179.3 | -26.9 | 35.1 | 0 | 0 | 0 | 112.4 | M163 | P161-M163 PolarHBondContact O-N 2.97Š|
| 162 | R | 97.7 | Very high | 98.4 | Very high | 211 Ų | 211 | 44.9 Ų | 44.9 | 80% | 0.796 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69 | 5.9 | -175 | -48.5 | 173.4 | 65.4 | 137.4 | 0.4 | 115.2 | E156 F164 | E156-R162 WeakPolarHBondContact OE1-CA 3.42Å; E156-R162 PolarHBondContact OE1-N 3.32Å; R162-F164 WeakPolarHBondContact O-CD2 3.24Å; R162-F164 WeakPolarHBondContact O-CE2 3.48Å |
| 163 | M | 98.8 | Very high | 98.4 | Very high | 33 Ų | 33 | 44.9 Ų | 44.9 | 16% | 0.163 | 22% | 0.221 | C | C | . | . | trans | -101.9 | 131.5 | 170.3 | -55.9 | -164.2 | -170.4 | 0 | 0 | 110.9 | M125 E156 S157 Y160 P161 G176 N177 | M125-M163 HydrophobicContact SD-CB 3.54Å; M125-M163 VanDerWaalsContact SD-CB 3.54Å; M125-M163 HydrophobicContact SD-SD 4.39Å; E156-M163 CarbonylContact C-O 3.47Å; E156-M163 WeakPolarHBondContact CA-O 3.39Å; S157-M163 PolarHBondContact N-O 2.85Å; Y160-M163 HydrophobicContact CG-SD 4.46Å; Y160-M163 WeakPolarHBondContact O-CB 3.39Å; Y160-M163 PolarHBondContact O-N 3.06Å; P161-M163 PolarHBondContact O-N 2.97Å; M163-G176 WeakPolarHBondContact CA-O 3.42Å; M163-N177 HydrophobicContact CE-CB 3.93Å; M163-N177 HydrophobicContact CG-CB 4.2Å; M163-N177 HydrophobicContact SD-CB 4Å | ||
| 164 | F | 98.8 | Very high | 98.4 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 4% | 0.044 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -122.1 | 150.6 | -173 | -62.6 | -94.6 | 0 | 0 | 0 | 112.7 | M125 A154 Y155 E156 R162 G176 V179 P181 T186 | M125-F164 VanDerWaalsContact CE-C 3.46Å; M125-F164 WeakPolarHBondContact CE-O 3.44Å; A154-F164 HydrophobicContact CB-CD1 4.2Å; Y155-F164 CarbonylContact O-C 3.52Å; Y155-F164 VanDerWaalsContact O-CA 3.29Å; Y155-F164 WeakPolarHBondContact O-CA 3.38Å; E156-F164 HydrophobicContact CB-CD1 3.76Å; E156-F164 HydrophobicContact CB-CE1 3.4Å; E156-F164 HydrophobicContact CB-CZ 3.97Å; E156-F164 HydrophobicContact CG-CD1 4.18Å; E156-F164 HydrophobicContact CG-CE1 3.66Å; E156-F164 HydrophobicContact CG-CE2 4.23Å; E156-F164 HydrophobicContact CG-CZ 3.67Å; R162-F164 WeakPolarHBondContact O-CD2 3.24Å; R162-F164 WeakPolarHBondContact O-CE2 3.48Å; F164-G176 PolarHBondContact N-O 2.88Å; F164-G176 VanDerWaalsContact O-CA 3.23Å; F164-G176 WeakPolarHBondContact O-CA 3.29Å; F164-V179 HydrophobicContact CB-CG2 4.08Å; F164-V179 WeakPolarHBondContact O-CG2 3.43Å; F164-P181 HydrophobicContact CD1-CG 3.95Å; F164-P181 HydrophobicContact CD2-CG 4.26Å; F164-P181 HydrophobicContact CE1-CG 3.37Å; F164-P181 VanDerWaalsContact CE2-CD 3.49Å; F164-P181 HydrophobicContact CE2-CG 3.75Å; F164-P181 HydrophobicContact CG-CG 4.37Å; F164-P181 HydrophobicContact CZ-CG 3.27Å; F164-T186 HydrophobicContact CB-CG2 4.03Å |
| 165 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -57.4 | 143.3 | 163.1 | -87.8 | 60.2 | 0 | 0 | 0 | 108.8 | I82 L114 V123 M125 L131 F143 Y155 T186 F188 | I82-L165 HydrophobicContact CD1-CD2 4.04Å; L114-L165 HydrophobicContact CD1-CD2 3.69Å; V123-L165 HydrophobicContact CG1-CD2 4.37Å; M125-L165 HydrophobicContact CE-CD1 3.93Å; L131-L165 HydrophobicContact CD1-CG 4.12Å; L131-L165 HydrophobicContact CD2-CD1 3.99Å; L131-L165 HydrophobicContact CD2-CG 4.1Å; F143-L165 HydrophobicContact CD1-CD1 3.35Å; F143-L165 HydrophobicContact CE1-CD1 3.22Å; F143-L165 HydrophobicContact CE2-CD1 4.47Å; F143-L165 HydrophobicContact CG-CD1 4.08Å; F143-L165 HydrophobicContact CZ-CD1 3.83Å; Y155-L165 HydrophobicContact CD2-CD2 4.46Å; Y155-L165 HydrophobicContact CG-CD2 4.31Å; Y155-L165 PolarHBondContact O-N 3.12Å; L165-T186 WeakPolarHBondContact O-CA 3.38Å; L165-T186 WeakPolarHBondContact O-CG2 3.42Å; L165-F188 HydrophobicContact CB-CE2 3.8Å; L165-F188 HydrophobicContact CB-CZ 4.26Å | ||
| 166 | G | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -165.2 | 148.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | T173 K174 V185 | G166-T173 WeakPolarHBondContact O-CA 3.44Å; G166-K174 PolarHBondContact O-N 2.75Å; G166-V185 CarbonylContact C-O 3.51Å; G166-V185 WeakPolarHBondContact CA-O 3.5Å | ||
| 167 | L | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -115.6 | 138.2 | 174.8 | -66.6 | -177.9 | 0 | 0 | 0 | 110.3 | C74 V76 F80 I82 K172 T173 V185 F188 | C74-L167 HydrophobicContact CB-CB 4.46Å; C74-L167 HydrophobicContact CB-CD1 4.14Å; V76-L167 HydrophobicContact CG2-CB 4.45Å; F80-L167 HydrophobicContact CB-CD1 3.86Å; I82-L167 HydrophobicContact CG1-CD1 3.88Å; I82-L167 HydrophobicContact CG1-CD2 4.29Å; I82-L167 HydrophobicContact CG1-CG 4.18Å; L167-K172 CarbonylContact C-O 3.58Å; L167-K172 WeakPolarHBondContact CA-O 3.4Å; L167-T173 HydrophobicContact CD2-CG2 4.11Å; L167-V185 PolarHBondContact N-O 3.27Å; L167-V185 WeakPolarHBondContact O-CB 3.43Å; L167-V185 WeakPolarHBondContact O-CG1 3.49Å; L167-F188 HydrophobicContact CD1-CE1 4.1Å; L167-F188 HydrophobicContact CG-CE1 4.12Å; L167-F188 HydrophobicContact CG-CZ 4.21Å |
| 168 | S | 98.3 | Very high | 98.3 | Very high | 12 Ų | 12 | 65 Ų | 65 | 8% | 0.084 | 30% | 0.304 | C | S | . | . | trans | -74.1 | 167.6 | 170.6 | 56.3 | 0 | 0 | 0 | 0 | 111.3 | N170 G171 K172 | S168-N170 WeakPolarHBondContact CB-OD1 3.26Å; S168-N170 PolarHBondContact O-N 3.46Å; S168-N170 PolarHBondContact OG-OD1 2.95Å; S168-G171 PolarHBondContact O-N 3.4Å; S168-K172 PolarHBondContact N-O 2.94Å; S168-K172 WeakPolarHBondContact OG-CA 3.37Å; S168-K172 WeakPolarHBondContact OG-CB 3.09Å; S168-K172 PolarHBondContact OG-N 2.97Å; S168-K172 PolarHBondContact OG-O 2.76Å | ||
| 169 | K | 98.1 | Very high | 98.3 | Very high | 165 Ų | 165 | 64.1 Ų | 64.1 | 72% | 0.717 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -14.7 | 174.2 | -61.8 | -176.2 | 178.7 | -175.8 | 0 | 114.2 | F80 | F80-K169 VanDerWaalsContact CE2-O 3.31Å; F80-K169 WeakPolarHBondContact CE2-O 3.37Å |
| 170 | N | 97.8 | Very high | 98.3 | Very high | 101 Ų | 101 | 64.6 Ų | 64.6 | 54% | 0.54 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 18.1 | 175.4 | 66.2 | -5.4 | 0 | 0 | 0 | 113.1 | S168 K172 | S168-N170 WeakPolarHBondContact CB-OD1 3.26Å; S168-N170 PolarHBondContact O-N 3.46Å; S168-N170 PolarHBondContact OG-OD1 2.95Å; N170-K172 VanDerWaalsContact C-N 3.28Å; N170-K172 PolarHBondContact O-N 2.92Å |
| 171 | G | 97.4 | Very high | 98.3 | Very high | 4 Ų | 4 | 64.1 Ų | 64.1 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | S | Bend | trans | 74.1 | 9.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | G92 S168 | G92-G171 WeakPolarHBondContact CA-O 3.24Å; G92-G171 PolarHBondContact N-O 2.95Å; S168-G171 PolarHBondContact O-N 3.4Å |
| 172 | K | 98.4 | Very high | 98.2 | Very high | 138 Ų | 138 | 65 Ų | 65 | 60% | 0.6 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -86.5 | 149.7 | 174.2 | -62.5 | -174 | 179.8 | -178.4 | 0 | 110.5 | L167 S168 N170 K174 | L167-K172 CarbonylContact C-O 3.58Å; L167-K172 WeakPolarHBondContact CA-O 3.4Å; S168-K172 PolarHBondContact N-O 2.94Å; S168-K172 WeakPolarHBondContact OG-CA 3.37Å; S168-K172 WeakPolarHBondContact OG-CB 3.09Å; S168-K172 PolarHBondContact OG-N 2.97Å; S168-K172 PolarHBondContact OG-O 2.76Å; N170-K172 VanDerWaalsContact C-N 3.28Å; N170-K172 PolarHBondContact O-N 2.92Å; K172-K174 PolarHBondContact O-N 2.87Å |
| 173 | T | 98.6 | Very high | 98.3 | Very high | 48 Ų | 48 | 58.4 Ų | 58.4 | 29% | 0.294 | 29% | 0.293 | S | S | . | . | B | Isolated β-bridge | trans | -67.3 | 135.6 | 174.3 | 55.5 | 0 | 0 | 0 | 0 | 111.2 | I90 L131 G166 L167 | I90-T173 HydrophobicContact CB-CG2 4.13Å; I90-T173 HydrophobicContact CG2-CG2 3.86Å; I90-T173 WeakPolarHBondContact O-CG2 3.47Å; L131-T173 HydrophobicContact CB-CG2 4.17Å; L131-T173 HydrophobicContact CD1-CG2 3.89Å; G166-T173 WeakPolarHBondContact O-CA 3.44Å; L167-T173 HydrophobicContact CD2-CG2 4.11Å |
| 174 | K | 98.5 | Very high | 98.2 | Very high | 68 Ų | 68 | 60.9 Ų | 60.9 | 30% | 0.296 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -83.6 | 155.8 | 168.4 | -69.7 | -75.4 | -173.5 | 77.3 | 0 | 110.1 | G166 K172 V179 | G166-K174 PolarHBondContact O-N 2.75Å; K172-K174 PolarHBondContact O-N 2.87Å; K174-V179 HydrophobicContact CB-CG1 3.61Å; K174-V179 HydrophobicContact CD-CG1 4.49Å; K174-V179 HydrophobicContact CG-CG1 3.99Å |
| 175 | R | 98.7 | Very high | 98.2 | Very high | 96 Ų | 96 | 61 Ų | 61 | 36% | 0.362 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 128.9 | 169.6 | -68.5 | -71.2 | -177.2 | 153 | -4.2 | 109.1 | R128 G129 K130 N177 R178 | R128-R175 WeakPolarHBondContact O-CD 3.46Å; R128-R175 PolarHBondContact O-NH1 2.7Å; G129-R175 CarbonylContact O-C 3.5Å; G129-R175 VanDerWaalsContact O-CA 3.31Å; G129-R175 WeakPolarHBondContact O-CA 3.46Å; K130-R175 VanDerWaalsContact CB-NH1 3.33Å; R175-N177 WeakPolarHBondContact CB-OD1 3.02Å; R175-N177 PolarHBondContact O-N 2.98Å; R175-R178 HydrophobicContact CB-CB 4.32Å; R175-R178 HydrophobicContact CB-CG 4.04Å; R175-R178 WeakPolarHBondContact O-CB 3.14Å; R175-R178 PolarHBondContact O-N 3.25Å |
| 176 | G | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -59.7 | -32.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | G129 M163 F164 R178 V179 | G129-G176 PolarHBondContact O-N 3.18Å; M163-G176 WeakPolarHBondContact CA-O 3.42Å; F164-G176 PolarHBondContact N-O 2.88Å; F164-G176 VanDerWaalsContact O-CA 3.23Å; F164-G176 WeakPolarHBondContact O-CA 3.29Å; G176-R178 PolarHBondContact O-N 3.2Å; G176-V179 WeakPolarHBondContact O-CG2 3.38Å |
| 177 | N | 98.3 | Very high | 98.2 | Very high | 93 Ų | 93 | 61.9 Ų | 61.9 | 50% | 0.497 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -77.6 | 0.8 | 175 | 69.4 | -27.7 | 0 | 0 | 0 | 114.6 | M163 R175 | M163-N177 HydrophobicContact CE-CB 3.93Å; M163-N177 HydrophobicContact CG-CB 4.2Å; M163-N177 HydrophobicContact SD-CB 4Å; R175-N177 WeakPolarHBondContact CB-OD1 3.02Å; R175-N177 PolarHBondContact O-N 2.98Å |
| 178 | R | 98.4 | Very high | 98.2 | Very high | 195 Ų | 195 | 61.9 Ų | 61.9 | 74% | 0.736 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -115.2 | 11.4 | 178.3 | -61.7 | -171.7 | 179.1 | -177.9 | -3.2 | 112.8 | R175 G176 | R175-R178 HydrophobicContact CB-CB 4.32Å; R175-R178 HydrophobicContact CB-CG 4.04Å; R175-R178 WeakPolarHBondContact O-CB 3.14Å; R175-R178 PolarHBondContact O-N 3.25Å; G176-R178 PolarHBondContact O-N 3.2Å |
| 179 | V | 98.4 | Very high | 98.2 | Very high | 9 Ų | 9 | 64.4 Ų | 64.4 | 6% | 0.055 | 33% | 0.328 | C | S | . | . | trans | -135.6 | 156 | -178.8 | -65.2 | 0 | 0 | 0 | 0 | 110.3 | F164 K174 G176 M183 V185 T186 | F164-V179 HydrophobicContact CB-CG2 4.08Å; F164-V179 WeakPolarHBondContact O-CG2 3.43Å; K174-V179 HydrophobicContact CB-CG1 3.61Å; K174-V179 HydrophobicContact CD-CG1 4.49Å; K174-V179 HydrophobicContact CG-CG1 3.99Å; G176-V179 WeakPolarHBondContact O-CG2 3.38Å; V179-M183 HydrophobicContact CB-SD 4.27Å; V179-M183 HydrophobicContact CG1-CE 4.45Å; V179-M183 HydrophobicContact CG1-SD 4.49Å; V179-V185 HydrophobicContact CB-CG2 4.31Å; V179-V185 HydrophobicContact CG1-CG2 3.76Å; V179-T186 HydrophobicContact CB-CG2 3.57Å; V179-T186 HydrophobicContact CG1-CG2 4.43Å; V179-T186 HydrophobicContact CG2-CG2 3.72Å | ||
| 180 | S | 98 | Very high | 98.2 | Very high | 47 Ų | 47 | 58.1 Ų | 58.1 | 33% | 0.329 | 30% | 0.304 | S | S | . | . | trans | -139.9 | 163.1 | 177.5 | 74.1 | 0 | 0 | 0 | 0 | 110.8 | A182 M183 T186 | S180-A182 PolarHBondContact O-N 3.02Å; S180-A182 VanDerWaalsContact O-N 3.12Å; S180-M183 PolarHBondContact N-SD 2.93Å; S180-M183 WeakPolarHBondContact O-CB 3.31Å; S180-M183 PolarHBondContact O-N 2.84Å; S180-T186 WeakPolarHBondContact O-CG2 3.21Å; S180-T186 PolarHBondContact O-OG1 3.43Å; S180-T186 VanDerWaalsContact O-OG1 3.06Å | ||
| 181 | P | 97.3 | Very high | 98.1 | Very high | 43 Ų | 43 | 58 Ų | 58 | 28% | 0.279 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -18.4 | 178.8 | -25.6 | 37.2 | 0 | 0 | 0 | 114.4 | L148 F164 M183 H187 | L148-P181 HydrophobicContact CD2-CB 4.09Å; F164-P181 HydrophobicContact CD1-CG 3.95Å; F164-P181 HydrophobicContact CD2-CG 4.26Å; F164-P181 HydrophobicContact CE1-CG 3.37Å; F164-P181 VanDerWaalsContact CE2-CD 3.49Å; F164-P181 HydrophobicContact CE2-CG 3.75Å; F164-P181 HydrophobicContact CG-CG 4.37Å; F164-P181 HydrophobicContact CZ-CG 3.27Å; P181-M183 PolarHBondContact O-N 2.85Å; P181-H187 PolarHBondContact O-NE2 2.98Å |
| 182 | A | 97.3 | Very high | 97.6 | Very high | 91 Ų | 91 | 64.8 Ų | 64.8 | 75% | 0.752 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -18.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S180 | S180-A182 PolarHBondContact O-N 3.02Å; S180-A182 VanDerWaalsContact O-N 3.12Å |
| 183 | M | 98.3 | Very high | 97.6 | Very high | 74 Ų | 74 | 61.1 Ų | 61.1 | 37% | 0.365 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -94.6 | 128.5 | -177.4 | -53.1 | 170 | 67.7 | 0 | 0 | 110.8 | V179 S180 P181 V185 T186 H187 | V179-M183 HydrophobicContact CB-SD 4.27Å; V179-M183 HydrophobicContact CG1-CE 4.45Å; V179-M183 HydrophobicContact CG1-SD 4.49Å; S180-M183 PolarHBondContact N-SD 2.93Å; S180-M183 WeakPolarHBondContact O-CB 3.31Å; S180-M183 PolarHBondContact O-N 2.84Å; P181-M183 PolarHBondContact O-N 2.85Å; M183-V185 HydrophobicContact CB-CG2 3.74Å; M183-V185 HydrophobicContact CE-CG2 3.99Å; M183-V185 PolarHBondContact O-N 3.03Å; M183-T186 PolarHBondContact O-N 2.89Å; M183-T186 PolarHBondContact O-OG1 2.75Å; M183-H187 PolarHBondContact O-CD2 2.98Å; M183-H187 PolarHBondContact O-NE2 2.86Å |
| 184 | T | 98.1 | Very high | 97.5 | Very high | 84 Ų | 84 | 61.8 Ų | 61.8 | 52% | 0.515 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -58 | -22.9 | -179.6 | 55.4 | 0 | 0 | 0 | 0 | 114.3 | T186 H187 | T184-T186 PolarHBondContact O-N 3.21Å; T184-T186 VanDerWaalsContact O-N 3.07Å; T184-H187 WeakPolarHBondContact O-CB 3.28Å; T184-H187 PolarHBondContact O-N 2.71Å |
| 185 | V | 98.6 | Very high | 97.4 | Very high | 12 Ų | 12 | 61.4 Ų | 61.4 | 7% | 0.073 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -60.6 | -13.7 | 172.9 | -60 | 0 | 0 | 0 | 0 | 114.3 | V76 G166 L167 V179 M183 | V76-V185 HydrophobicContact CG1-CG1 4.15Å; G166-V185 CarbonylContact C-O 3.51Å; G166-V185 WeakPolarHBondContact CA-O 3.5Å; L167-V185 PolarHBondContact N-O 3.27Å; L167-V185 WeakPolarHBondContact O-CB 3.43Å; L167-V185 WeakPolarHBondContact O-CG1 3.49Å; V179-V185 HydrophobicContact CB-CG2 4.31Å; V179-V185 HydrophobicContact CG1-CG2 3.76Å; M183-V185 HydrophobicContact CB-CG2 3.74Å; M183-V185 HydrophobicContact CE-CG2 3.99Å; M183-V185 PolarHBondContact O-N 3.03Å |
| 186 | T | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -105.6 | -0.9 | 177.4 | 65.7 | 0 | 0 | 0 | 0 | 113.4 | F164 L165 V179 S180 M183 T184 F188 | F164-T186 HydrophobicContact CB-CG2 4.03Å; L165-T186 WeakPolarHBondContact O-CA 3.38Å; L165-T186 WeakPolarHBondContact O-CG2 3.42Å; V179-T186 HydrophobicContact CB-CG2 3.57Å; V179-T186 HydrophobicContact CG1-CG2 4.43Å; V179-T186 HydrophobicContact CG2-CG2 3.72Å; S180-T186 WeakPolarHBondContact O-CG2 3.21Å; S180-T186 PolarHBondContact O-OG1 3.43Å; S180-T186 VanDerWaalsContact O-OG1 3.06Å; M183-T186 PolarHBondContact O-N 2.89Å; M183-T186 PolarHBondContact O-OG1 2.75Å; T184-T186 PolarHBondContact O-N 3.21Å; T184-T186 VanDerWaalsContact O-N 3.07Å; T186-F188 WeakPolarHBondContact O-CD2 3.31Å |
| 187 | H | 98.8 | Very high | 97.3 | Very high | 20 Ų | 20 | 63.1 Ų | 63.1 | 9% | 0.093 | 34% | 0.335 | C | S | . | . | trans | -90 | 119.9 | -174.9 | -62.1 | -177.5 | 0 | 0 | 0 | 109 | C74 L148 N150 Y152 P181 M183 T184 | C74-H187 WeakPolarHBondContact CA-O 3.41Å; C74-H187 PolarHBondContact SG-O 2.99Å; L148-H187 WeakPolarHBondContact CD1-CD2 3.39Å; L148-H187 WeakPolarHBondContact CD1-NE2 3.34Å; N150-H187 PolarHBondContact ND2-CE1 3.49Å; N150-H187 PolarHBondContact ND2-ND1 2.77Å; Y152-H187 HydrophobicContact CD1-CB 3.79Å; Y152-H187 HydrophobicContact CG-CB 3.9Å; P181-H187 PolarHBondContact O-NE2 2.98Å; M183-H187 PolarHBondContact O-CD2 2.98Å; M183-H187 PolarHBondContact O-NE2 2.86Å; T184-H187 WeakPolarHBondContact O-CB 3.28Å; T184-H187 PolarHBondContact O-N 2.71Å | ||
| 188 | F | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -123.9 | 129.1 | 179.5 | -65.6 | -86.1 | 0 | 0 | 0 | 110.7 | L72 Y73 C74 I82 N153 Y155 L165 L167 T186 | L72-F188 HydrophobicContact CB-CB 4.29Å; L72-F188 HydrophobicContact CB-CD1 4Å; L72-F188 HydrophobicContact CB-CG 4.43Å; Y73-F188 CarbonylContact O-C 3.54Å; Y73-F188 VanDerWaalsContact O-CA 3.28Å; Y73-F188 WeakPolarHBondContact O-CA 3.3Å; C74-F188 HydrophobicContact CB-CD1 3.76Å; C74-F188 HydrophobicContact CB-CE1 3.61Å; C74-F188 HydrophobicContact CB-CZ 4.35Å; I82-F188 HydrophobicContact CD1-CD1 4.24Å; I82-F188 HydrophobicContact CD1-CE1 3.49Å; I82-F188 VanDerWaalsContact CD1-CE1 3.49Å; I82-F188 HydrophobicContact CD1-CZ 3.73Å; I82-F188 HydrophobicContact CG1-CE1 3.78Å; I82-F188 HydrophobicContact CG1-CZ 4.38Å; N153-F188 PolarHBondContact N-O 3.24Å; N153-F188 PolarHBondContact O-N 3.06Å; Y155-F188 HydrophobicContact CD2-CB 4.35Å; Y155-F188 HydrophobicContact CD2-CD2 4.06Å; Y155-F188 HydrophobicContact CD2-CG 4.47Å; Y155-F188 HydrophobicContact CE2-CB 3.9Å; Y155-F188 HydrophobicContact CE2-CD2 4.45Å; Y155-F188 HydrophobicContact CE2-CG 4.43Å; L165-F188 HydrophobicContact CB-CE2 3.8Å; L165-F188 HydrophobicContact CB-CZ 4.26Å; L167-F188 HydrophobicContact CD1-CE1 4.1Å; L167-F188 HydrophobicContact CG-CE1 4.12Å; L167-F188 HydrophobicContact CG-CZ 4.21Å; T186-F188 WeakPolarHBondContact O-CD2 3.31Å |
| 189 | L | 98.3 | Very high | 97.1 | Very high | 64 Ų | 64 | 51.6 Ų | 51.6 | 34% | 0.335 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 116.5 | 172.8 | -179 | 64.9 | 0 | 0 | 0 | 108.8 | Y73 Y152 R191 | Y73-L189 PolarHBondContact N-O 3.28Å; Y73-L189 PolarHBondContact O-N 2.96Å; Y152-L189 HydrophobicContact CD1-CB 3.86Å; Y152-L189 HydrophobicContact CE1-CB 3.67Å; L189-R191 HydrophobicContact CD2-CG 4.3Å; L189-R191 HydrophobicContact CG-CG 4.23Å; L189-R191 PolarHBondContact O-N 2.9Å |
| 190 | P | 97.4 | Very high | 97 | Very high | 34 Ų | 34 | 54.8 Ų | 54.8 | 22% | 0.221 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 118.6 | 170.8 | -18.5 | 32.4 | 0 | 0 | 0 | 110.8 | R70 R71 L72 | R70-P190 HydrophobicContact CB-CB 4.3Å; R70-P190 HydrophobicContact CG-CB 4.24Å; R71-P190 CarbonylContact O-C 3.46Å; R71-P190 WeakPolarHBondContact O-CA 3.47Å; L72-P190 HydrophobicContact CD2-CB 4.2Å; L72-P190 HydrophobicContact CD2-CG 4.07Å |
| 191 | R | 95.7 | Very high | 97 | Very high | 99 Ų | 99 | 55.5 Ų | 55.5 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 154.6 | 178.1 | -61.5 | -179.7 | 68.7 | -156.5 | -2.6 | 110.9 | R70 R71 H81 E96 L189 | R70-R191 CarbonylContact C-O 3.59Å; R70-R191 WeakPolarHBondContact CA-O 3.5Å; R70-R191 WeakPolarHBondContact CB-O 3.44Å; R70-R191 WeakPolarHBondContact CD-O 3.34Å; R71-R191 PolarHBondContact N-O 3.48Å; R71-R191 PolarHBondContact O-N 3.03Å; H81-R191 PolarHBondContact CE1-NH1 2.79Å; H81-R191 PolarHBondContact NE2-NH1 2.96Å; E96-R191 IonicContact OE1-CZ 3.73Å; E96-R191 IonicContact OE1-NH1 2.88Å; E96-R191 PolarHBondContact OE1-NH1 2.48Å; E96-R191 IonicContact OE1-NH2 3.91Å; L189-R191 HydrophobicContact CD2-CG 4.3Å; L189-R191 HydrophobicContact CG-CG 4.23Å; L189-R191 PolarHBondContact O-N 2.9Å |
| 192 | I | 86.5 | Confident | 96.9 | Very high | 145 Ų | 145 | 56.6 Ų | 56.6 | 74% | 0.744 | 32% | 0.315 | S | S | * | . | trans | -86 | 0 | 174.9 | -63 | 174 | 0 | 0 | 0 | 109 | R71 | R71-I192 PolarHBondContact NH1-OXT 3.36Š|
Retrieved 192 of 192 residues in 209.4 ms
(Link to these results)