| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 31.7 | Very low | 36.8 | Very low | 241 Ų | 241 | 133.5 Ų | 133.5 | 100% | 1.187 | 70% | 0.697 | S | S | * | * | 0 | 105.5 | 0 | -78.8 | 174.8 | 174.5 | 0 | 0 | 107.8 | |||||
| 2 | S | 33.1 | Very low | 37.1 | Very low | 106 Ų | 106 | 127 Ų | 127 | 74% | 0.741 | 66% | 0.663 | S | S | * | * | trans | -87.4 | 109.8 | 175.1 | 41.6 | 0 | 0 | 0 | 0 | 108.8 | F4 | S2-F4 PolarHBondContact O-N 2.91Š| ||
| 3 | V | 32.5 | Very low | 38 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 76% | 0.764 | 66% | 0.657 | S | S | * | * | trans | -81.2 | 101.9 | 169.9 | -175.1 | 0 | 0 | 0 | 0 | 106.8 | N5 | V3-N5 PolarHBondContact O-N 3.01Š| ||
| 4 | F | 30.8 | Very low | 38.9 | Very low | 192 Ų | 192 | 130.1 Ų | 130.1 | 84% | 0.842 | 66% | 0.661 | S | S | * | * | trans | -64 | 100.8 | 171.4 | -101.9 | -96.9 | 0 | 0 | 0 | 109.1 | S2 G6 | S2-F4 PolarHBondContact O-N 2.91Å; F4-G6 PolarHBondContact O-N 3.05Å | ||
| 5 | N | 36.2 | Very low | 39.3 | Very low | 132 Ų | 132 | 124.1 Ų | 124.1 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | trans | -75.1 | 64.8 | 168.7 | -89.7 | -10.4 | 0 | 0 | 0 | 110.6 | V3 | V3-N5 PolarHBondContact O-N 3.01Š| ||
| 6 | G | 35.5 | Very low | 40 | Very low | 47 Ų | 47 | 119.3 Ų | 119.3 | 49% | 0.485 | 61% | 0.605 | S | S | . | * | trans | -77.9 | -20.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F4 | F4-G6 PolarHBondContact O-N 3.05Š| ||
| 7 | H | 37.9 | Very low | 40.5 | Very low | 167 Ų | 167 | 116.6 Ų | 116.6 | 77% | 0.773 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -84.2 | -18.6 | -170.9 | -90.2 | -59.2 | 0 | 0 | 0 | 115.7 | ||
| 8 | H | 39.3 | Very low | 40.6 | Very low | 150 Ų | 150 | 112.1 Ų | 112.1 | 69% | 0.694 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -76 | -22.9 | -175.6 | -107 | 55.9 | 0 | 0 | 0 | 114 | ||
| 9 | N | 41.8 | Very low | 40.6 | Very low | 99 Ų | 99 | 109.7 Ų | 109.7 | 53% | 0.529 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -88.6 | -25.1 | -176.7 | -78.9 | -31.2 | 0 | 0 | 0 | 114.2 | Y11 K13 | N9-Y11 VanDerWaalsContact C-N 3.32Å; N9-Y11 PolarHBondContact O-N 3.36Å; N9-K13 WeakPolarHBondContact O-CB 3.45Å; N9-K13 PolarHBondContact O-N 2.85Å; N9-K13 VanDerWaalsContact O-N 3.07Å |
| 10 | D | 44.6 | Very low | 40.5 | Very low | 92 Ų | 92 | 112.1 Ų | 112.1 | 49% | 0.492 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.5 | -30.5 | -178.8 | -78.8 | -18.6 | 0 | 0 | 0 | 112.7 | K13 K14 | D10-K13 PolarHBondContact O-N 3.14Å; D10-K14 WeakPolarHBondContact O-CG 3.34Å; D10-K14 PolarHBondContact O-N 3.08Å |
| 11 | Y | 41 | Very low | 40.6 | Very low | 117 Ų | 117 | 113.9 Ų | 113.9 | 46% | 0.459 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.1 | -52 | 177.2 | -171.2 | -98.2 | 0 | 0 | 0 | 111.6 | N9 K13 K14 E15 R111 | N9-Y11 VanDerWaalsContact C-N 3.32Å; N9-Y11 PolarHBondContact O-N 3.36Å; Y11-K13 PolarHBondContact O-N 3.42Å; Y11-K14 WeakPolarHBondContact O-CB 3.46Å; Y11-K14 PolarHBondContact O-N 3.2Å; Y11-K14 VanDerWaalsContact O-N 3.1Å; Y11-E15 HydrophobicContact CD1-CG 4.45Å; Y11-E15 HydrophobicContact CE1-CG 4.1Å; Y11-E15 VanDerWaalsContact CE1-OE1 3.24Å; Y11-E15 WeakPolarHBondContact CE1-OE1 3.37Å; Y11-E15 PolarHBondContact O-N 3.33Å; Y11-E15 PolarHBondContact OH-OE1 3.4Å; Y11-R111 PolarHBondContact OH-NH1 2.93Å |
| 12 | L | 41 | Very low | 40.5 | Very low | 55 Ų | 55 | 112.4 Ų | 112.4 | 29% | 0.288 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -58.8 | -38.3 | 175 | -72.9 | 170.7 | 0 | 0 | 0 | 111.5 | E15 I16 I132 | L12-E15 PolarHBondContact O-N 3.49Å; L12-I16 WeakPolarHBondContact O-CB 3.46Å; L12-I16 VanDerWaalsContact O-CG1 3.24Å; L12-I16 WeakPolarHBondContact O-CG1 3.23Å; L12-I16 PolarHBondContact O-N 2.8Å; L12-I132 HydrophobicContact CD2-CD1 4.06Å |
| 13 | K | 48.8 | Very low | 40.5 | Very low | 134 Ų | 134 | 115.1 Ų | 115.1 | 58% | 0.583 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.4 | -39.7 | 176.8 | -158 | 175.3 | -173.5 | 179.7 | 0 | 112 | N9 D10 Y11 N17 | N9-K13 WeakPolarHBondContact O-CB 3.45Å; N9-K13 PolarHBondContact O-N 2.85Å; N9-K13 VanDerWaalsContact O-N 3.07Å; D10-K13 PolarHBondContact O-N 3.14Å; Y11-K13 PolarHBondContact O-N 3.42Å; K13-N17 VanDerWaalsContact O-CB 3.25Å; K13-N17 WeakPolarHBondContact O-CB 3.32Å; K13-N17 PolarHBondContact O-N 2.61Å; K13-N17 PolarHBondContact O-ND2 3.03Å |
| 14 | K | 50.6 | Low | 40.6 | Very low | 163 Ų | 163 | 114.3 Ų | 114.3 | 71% | 0.709 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.8 | -42.5 | 173.1 | -82.6 | -178.1 | 178.6 | 178.9 | 0 | 111.9 | D10 Y11 N17 G18 | D10-K14 WeakPolarHBondContact O-CG 3.34Å; D10-K14 PolarHBondContact O-N 3.08Å; Y11-K14 WeakPolarHBondContact O-CB 3.46Å; Y11-K14 PolarHBondContact O-N 3.2Å; Y11-K14 VanDerWaalsContact O-N 3.1Å; K14-N17 PolarHBondContact O-N 3.36Å; K14-G18 PolarHBondContact O-N 3.49Å |
| 15 | E | 45.4 | Very low | 40.6 | Very low | 40 Ų | 40 | 111.4 Ų | 111.4 | 19% | 0.187 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -67.1 | -45.9 | 178 | -71.2 | -163 | 157.9 | 0 | 0 | 112.4 | Y11 L12 N17 G18 L19 R111 Y130 | Y11-E15 HydrophobicContact CD1-CG 4.45Å; Y11-E15 HydrophobicContact CE1-CG 4.1Å; Y11-E15 VanDerWaalsContact CE1-OE1 3.24Å; Y11-E15 WeakPolarHBondContact CE1-OE1 3.37Å; Y11-E15 PolarHBondContact O-N 3.33Å; Y11-E15 PolarHBondContact OH-OE1 3.4Å; L12-E15 PolarHBondContact O-N 3.49Å; E15-N17 VanDerWaalsContact C-N 3.29Å; E15-N17 PolarHBondContact O-N 2.73Å; E15-G18 WeakPolarHBondContact O-CA 3.24Å; E15-G18 PolarHBondContact O-N 3.46Å; E15-G18 VanDerWaalsContact O-N 3.09Å; E15-L19 PolarHBondContact O-N 3.44Å; E15-R111 IonicContact OE1-NH1 2.7Å; E15-Y130 PolarHBondContact OE1-OH 2.79Å |
| 16 | I | 50.2 | Low | 40.3 | Very low | 48 Ų | 48 | 108.4 Ų | 108.4 | 25% | 0.246 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -59.1 | -41.5 | 174 | -67.9 | 166.8 | 0 | 0 | 0 | 110.8 | L12 L19 R20 I134 P249 | L12-I16 WeakPolarHBondContact O-CB 3.46Å; L12-I16 VanDerWaalsContact O-CG1 3.24Å; L12-I16 WeakPolarHBondContact O-CG1 3.23Å; L12-I16 PolarHBondContact O-N 2.8Å; I16-L19 PolarHBondContact O-N 2.79Å; I16-R20 WeakPolarHBondContact O-CG 3.49Å; I16-R20 PolarHBondContact O-N 3.3Å; I16-I134 HydrophobicContact CG1-CD1 4.41Å; I16-P249 HydrophobicContact CD1-CG 4.26Å |
| 17 | N | 48.5 | Very low | 40.2 | Very low | 73 Ų | 73 | 114.2 Ų | 114.2 | 39% | 0.39 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68 | -34.1 | 176.1 | -75.4 | -20.9 | 0 | 0 | 0 | 112.6 | K13 K14 E15 R20 K21 | K13-N17 VanDerWaalsContact O-CB 3.25Å; K13-N17 WeakPolarHBondContact O-CB 3.32Å; K13-N17 PolarHBondContact O-N 2.61Å; K13-N17 PolarHBondContact O-ND2 3.03Å; K14-N17 PolarHBondContact O-N 3.36Å; E15-N17 VanDerWaalsContact C-N 3.29Å; E15-N17 PolarHBondContact O-N 2.73Å; N17-R20 PolarHBondContact O-N 3.3Å; N17-K21 PolarHBondContact O-N 3.02Å |
| 18 | G | 41.1 | Very low | 39.8 | Very low | 35 Ų | 35 | 114.4 Ų | 114.4 | 36% | 0.361 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.1 | -42.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K14 E15 K21 W22 | K14-G18 PolarHBondContact O-N 3.49Å; E15-G18 WeakPolarHBondContact O-CA 3.24Å; E15-G18 PolarHBondContact O-N 3.46Å; E15-G18 VanDerWaalsContact O-N 3.09Å; G18-K21 WeakPolarHBondContact O-CB 3.39Å; G18-K21 PolarHBondContact O-N 3.04Å; G18-K21 VanDerWaalsContact O-N 3.16Å; G18-W22 PolarHBondContact O-N 3.4Å |
| 19 | L | 41.7 | Very low | 39.2 | Very low | 67 Ų | 67 | 116 Ų | 116 | 35% | 0.351 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.2 | -34.4 | 175.7 | -72.9 | 157.6 | 0 | 0 | 0 | 112.8 | E15 I16 K21 W22 K23 I113 I134 | E15-L19 PolarHBondContact O-N 3.44Å; I16-L19 PolarHBondContact O-N 2.79Å; L19-K21 PolarHBondContact O-N 3.4Å; L19-W22 WeakPolarHBondContact O-CB 3.38Å; L19-W22 PolarHBondContact O-N 3.45Å; L19-W22 VanDerWaalsContact O-N 3.17Å; L19-K23 PolarHBondContact O-N 3.19Å; L19-I113 HydrophobicContact CD1-CB 4.45Å; L19-I113 HydrophobicContact CD1-CD1 4.47Å; L19-I113 HydrophobicContact CD1-CG2 3.58Å; L19-I134 HydrophobicContact CD1-CD1 3.89Å |
| 20 | R | 39 | Very low | 38.4 | Very low | 158 Ų | 158 | 119.7 Ų | 119.7 | 60% | 0.596 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.2 | -32.3 | 171.3 | -74 | 179.4 | -176.2 | -170 | -0.2 | 112.1 | I16 N17 | I16-R20 WeakPolarHBondContact O-CG 3.49Å; I16-R20 PolarHBondContact O-N 3.3Å; N17-R20 PolarHBondContact O-N 3.3Å |
| 21 | K | 41.4 | Very low | 37.5 | Very low | 150 Ų | 150 | 123.4 Ų | 123.4 | 65% | 0.652 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.4 | -34.3 | 174 | -67.4 | -178.8 | 178 | -174.1 | 0 | 112.6 | N17 G18 L19 K23 V24 N25 | N17-K21 PolarHBondContact O-N 3.02Å; G18-K21 WeakPolarHBondContact O-CB 3.39Å; G18-K21 PolarHBondContact O-N 3.04Å; G18-K21 VanDerWaalsContact O-N 3.16Å; L19-K21 PolarHBondContact O-N 3.4Å; K21-K23 VanDerWaalsContact C-N 3.26Å; K21-K23 PolarHBondContact O-N 3Å; K21-V24 PolarHBondContact O-N 2.66Å; K21-N25 PolarHBondContact O-N 2.91Å |
| 22 | W | 30.5 | Very low | 36.8 | Very low | 209 Ų | 209 | 127.1 Ų | 127.1 | 79% | 0.792 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -59.9 | -36.1 | 174 | -96.1 | 60.9 | 0 | 0 | 0 | 112.7 | G18 L19 V24 N25 G26 | G18-W22 PolarHBondContact O-N 3.4Å; L19-W22 WeakPolarHBondContact O-CB 3.38Å; L19-W22 PolarHBondContact O-N 3.45Å; L19-W22 VanDerWaalsContact O-N 3.17Å; W22-V24 PolarHBondContact O-N 3.24Å; W22-N25 PolarHBondContact O-N 3.01Å; W22-G26 PolarHBondContact O-N 3.05Å |
| 23 | K | 33.1 | Very low | 36.2 | Very low | 163 Ų | 163 | 130.3 Ų | 130.3 | 71% | 0.709 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -65.7 | -23.2 | 174.7 | -157.9 | 175.9 | -179.2 | -175.3 | 0 | 113.4 | L19 K21 | L19-K23 PolarHBondContact O-N 3.19Å; K21-K23 VanDerWaalsContact C-N 3.26Å; K21-K23 PolarHBondContact O-N 3Å |
| 24 | V | 34.6 | Very low | 35 | Very low | 109 Ų | 109 | 129 Ų | 129 | 66% | 0.661 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -85 | -29.5 | 179.5 | -173.2 | 0 | 0 | 0 | 0 | 111.8 | K21 W22 | K21-V24 PolarHBondContact O-N 2.66Å; W22-V24 PolarHBondContact O-N 3.24Å |
| 25 | N | 31.2 | Very low | 33.8 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -86.3 | -14.2 | -179.1 | -71.5 | 4.6 | 0 | 0 | 0 | 113.9 | K21 W22 E27 | K21-N25 PolarHBondContact O-N 2.91Å; W22-N25 PolarHBondContact O-N 3.01Å; N25-E27 VanDerWaalsContact C-N 3.32Å; N25-E27 PolarHBondContact O-N 2.7Å |
| 26 | G | 29.4 | Very low | 32.8 | Very low | 68 Ų | 68 | 134.7 Ų | 134.7 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -9.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | W22 | W22-G26 PolarHBondContact O-N 3.05Š|
| 27 | E | 32.6 | Very low | 31.7 | Very low | 170 Ų | 170 | 142 Ų | 142 | 79% | 0.794 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 11 | -176.8 | -75.6 | -176.5 | 176.2 | 0 | 0 | 114.5 | N25 | N25-E27 VanDerWaalsContact C-N 3.32Å; N25-E27 PolarHBondContact O-N 2.7Å |
| 28 | Q | 29.6 | Very low | 30.5 | Very low | 171 Ų | 171 | 146 Ų | 146 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -128 | 96.1 | 170.5 | -83.1 | -175.5 | 4.5 | 0 | 0 | 111.7 | ||
| 29 | M | 27.1 | Very low | 29.6 | Very low | 184 Ų | 184 | 150.6 Ų | 150.6 | 91% | 0.906 | 76% | 0.756 | S | S | * | * | trans | 161.4 | 62.7 | 137.1 | -78.6 | -119.4 | 174.7 | 0 | 0 | 109.2 | ||||
| 30 | I | 26 | Very low | 29 | Very low | 176 Ų | 176 | 151.3 Ų | 151.3 | 90% | 0.903 | 78% | 0.779 | S | S | * | * | trans | -95.6 | 82.6 | 151.2 | -57.9 | 174.5 | 0 | 0 | 0 | 105.1 | ||||
| 31 | E | 25.4 | Very low | 28.2 | Very low | 170 Ų | 170 | 152.7 Ų | 152.7 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -150.8 | 96.1 | 161.6 | -119.5 | 176.1 | -170.4 | 0 | 0 | 110.9 | ||||
| 32 | K | 26.1 | Very low | 27.5 | Very low | 195 Ų | 195 | 154.7 Ų | 154.7 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | 42.5 | 109 | 143.4 | -64.2 | 175.4 | 178.5 | 173.7 | 0 | 118.6 | ||||
| 33 | S | 27.5 | Very low | 27.2 | Very low | 122 Ų | 122 | 151.4 Ų | 151.4 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -147.6 | 91.2 | 134.7 | 63.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 34 | S | 23.3 | Very low | 26.9 | Very low | 105 Ų | 105 | 150.3 Ų | 150.3 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | -69.2 | 121.4 | 151.8 | 46.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 35 | D | 27.2 | Very low | 26.5 | Very low | 167 Ų | 167 | 151.5 Ų | 151.5 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | -156.2 | 119.6 | 143 | -93.3 | -29.9 | 0 | 0 | 0 | 110.2 | ||||
| 36 | I | 24 | Very low | 26.2 | Very low | 157 Ų | 157 | 152.7 Ų | 152.7 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | trans | -79.4 | 130.6 | 175.9 | -68.2 | 162.2 | 0 | 0 | 0 | 107.1 | ||||
| 37 | Q | 26.9 | Very low | 26 | Very low | 202 Ų | 202 | 155.6 Ų | 155.6 | 94% | 0.944 | 80% | 0.804 | S | S | * | * | trans | -133.4 | 119 | 152.5 | -110.7 | -176.9 | 6.2 | 0 | 0 | 110.9 | ||||
| 38 | E | 21.9 | Very low | 25.8 | Very low | 155 Ų | 155 | 154.9 Ų | 154.9 | 72% | 0.724 | 81% | 0.805 | S | S | * | * | trans | -88.2 | 159.6 | -179 | -135.9 | -176.1 | -166.6 | 0 | 0 | 110.8 | ||||
| 39 | N | 24 | Very low | 25.6 | Very low | 133 Ų | 133 | 153.3 Ų | 153.3 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | trans | 88 | 111.5 | 152.9 | -67.2 | -38.5 | 0 | 0 | 0 | 120.7 | ||||
| 40 | G | 27.3 | Very low | 25.7 | Very low | 81 Ų | 81 | 153.5 Ų | 153.5 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -162.9 | 73.6 | 156.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 41 | K | 23.2 | Very low | 25.7 | Very low | 188 Ų | 188 | 153.1 Ų | 153.1 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | trans | -64 | 140.3 | 169.9 | -79.4 | 173.5 | 172.9 | 172.9 | 0 | 111.4 | ||||
| 42 | H | 27.6 | Very low | 25.7 | Very low | 192 Ų | 192 | 150 Ų | 150 | 89% | 0.889 | 79% | 0.792 | S | S | * | * | trans | -152.9 | 121.5 | 139.5 | -107.8 | -67.3 | 0 | 0 | 0 | 111.3 | ||||
| 43 | N | 23 | Very low | 25.7 | Very low | 139 Ų | 139 | 147.7 Ų | 147.7 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -89.8 | 164.1 | 173.4 | -85.3 | -9.5 | 0 | 0 | 0 | 111.4 | ||||
| 44 | N | 27.6 | Very low | 25.6 | Very low | 141 Ų | 141 | 149.3 Ų | 149.3 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | 136.4 | 143.3 | 140.8 | -71.1 | -11.8 | 0 | 0 | 0 | 109.9 | ||||
| 45 | N | 25.9 | Very low | 25.7 | Very low | 133 Ų | 133 | 152.7 Ų | 152.7 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | cis | 177.8 | 157.7 | -20.6 | -112.2 | 0.3 | 0 | 0 | 0 | 105.5 | ||||
| 46 | H | 25.1 | Very low | 25.6 | Very low | 158 Ų | 158 | 152 Ų | 152 | 73% | 0.731 | 79% | 0.786 | S | S | * | * | trans | 72.3 | 114.8 | 158.7 | -79.9 | -29.7 | 0 | 0 | 0 | 119 | ||||
| 47 | D | 25.1 | Very low | 25.8 | Very low | 128 Ų | 128 | 153 Ų | 153 | 68% | 0.684 | 79% | 0.787 | S | S | * | * | 76.9 | 110.1 | 68.6 | -73.2 | -18.7 | 0 | 0 | 0 | 112.1 | |||||
| 48 | D | 28.6 | Very low | 25.8 | Very low | 156 Ų | 156 | 151.8 Ų | 151.8 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | -178.8 | 146.2 | 102.7 | -100.3 | -33.2 | 0 | 0 | 0 | 113 | |||||
| 49 | N | 24.9 | Very low | 26.1 | Very low | 138 Ų | 138 | 152.2 Ų | 152.2 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | trans | -62.1 | 150.3 | -176.1 | -65.1 | -66.2 | 0 | 0 | 0 | 114.9 | ||||
| 50 | H | 30.2 | Very low | 26.2 | Very low | 187 Ų | 187 | 153.1 Ų | 153.1 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | -151.7 | 132.6 | 133.1 | -107.3 | -69.8 | 0 | 0 | 0 | 112.5 | ||||
| 51 | E | 24.8 | Very low | 26.1 | Very low | 169 Ų | 169 | 155.3 Ų | 155.3 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -72.2 | 152.8 | -172.3 | -61 | 166.5 | 117.6 | 0 | 0 | 115.7 | ||||
| 52 | S | 25.5 | Very low | 26.3 | Very low | 104 Ų | 104 | 152.1 Ų | 152.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 62.5 | 134.7 | 145.6 | 85 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 53 | I | 27.1 | Very low | 26.3 | Very low | 147 Ų | 147 | 151 Ų | 151 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | -156.2 | 125.6 | 73.7 | -79.4 | 155.3 | 0 | 0 | 0 | 108.8 | Q55 | I53-Q55 HydrophobicContact CG2-CG 4.44Š| |||
| 54 | L | 24.3 | Very low | 26.3 | Very low | 155 Ų | 155 | 155.8 Ų | 155.8 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -65.3 | 122.2 | 161.6 | -74.1 | 150.7 | 0 | 0 | 0 | 109.9 | ||||
| 55 | Q | 25.9 | Very low | 26.3 | Very low | 177 Ų | 177 | 154.7 Ų | 154.7 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | -142.9 | 102.3 | 143.4 | -74.2 | -165.4 | -15.9 | 0 | 0 | 109 | I53 | I53-Q55 HydrophobicContact CG2-CG 4.44Š| ||
| 56 | N | 24.7 | Very low | 26.2 | Very low | 152 Ų | 152 | 151.2 Ų | 151.2 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | -65.8 | 120.8 | 160.2 | -73.5 | -32.2 | 0 | 0 | 0 | 108.2 | ||||
| 57 | E | 28.5 | Very low | 26.2 | Very low | 178 Ų | 178 | 148.3 Ų | 148.3 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -124.9 | 116.1 | 150.2 | -80.7 | -168.3 | 162 | 0 | 0 | 108.7 | Q59 | E57-Q59 PolarHBondContact O-N 3.39Š| ||
| 58 | E | 26 | Very low | 26.3 | Very low | 176 Ų | 176 | 149.2 Ų | 149.2 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | -57.3 | 114.9 | 172 | -65.8 | 168.4 | 133.8 | 0 | 0 | 110.2 | ||||
| 59 | Q | 28.5 | Very low | 26.1 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | trans | -125.5 | 89.3 | 153 | -74 | -163.7 | -4.5 | 0 | 0 | 109 | E57 N61 | E57-Q59 PolarHBondContact O-N 3.39Å; Q59-N61 PolarHBondContact O-N 2.92Å | ||
| 60 | N | 25.8 | Very low | 26.3 | Very low | 152 Ų | 152 | 147.1 Ų | 147.1 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | -63.1 | 85.2 | 162.5 | -75 | -44 | 0 | 0 | 0 | 109 | ||||
| 61 | N | 26.8 | Very low | 26 | Very low | 127 Ų | 127 | 146.9 Ų | 146.9 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | trans | -97.1 | 123.6 | 160.5 | -83 | -30.9 | 0 | 0 | 0 | 108.4 | Q59 M63 | Q59-N61 PolarHBondContact O-N 2.92Å; N61-M63 PolarHBondContact O-N 3.36Å | ||
| 62 | P | 27 | Very low | 26.2 | Very low | 122 Ų | 122 | 146.5 Ų | 146.5 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | trans | -64.3 | 112.9 | 177.1 | 25.6 | -30.6 | 0 | 0 | 0 | 108.4 | R64 | P62-R64 VanDerWaalsContact C-N 3.31Å; P62-R64 PolarHBondContact O-N 2.8Å | ||
| 63 | M | 26.9 | Very low | 26.2 | Very low | 167 Ų | 167 | 149.8 Ų | 149.8 | 82% | 0.823 | 78% | 0.778 | S | S | * | * | trans | -65.1 | 90.7 | 177.6 | -154.5 | 167.4 | 123.4 | 0 | 0 | 108.1 | N61 N65 | N61-M63 PolarHBondContact O-N 3.36Å; M63-N65 WeakPolarHBondContact CE-OD1 3.11Å; M63-N65 PolarHBondContact O-N 2.98Å; M63-N65 VanDerWaalsContact O-N 3.11Å | ||
| 64 | R | 23.5 | Very low | 26.2 | Very low | 240 Ų | 240 | 150.6 Ų | 150.6 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | trans | -66.5 | 104.3 | 161.9 | -101.2 | -175.7 | 171.5 | -176 | -2.6 | 106 | P62 G66 | P62-R64 VanDerWaalsContact C-N 3.31Å; P62-R64 PolarHBondContact O-N 2.8Å; R64-G66 PolarHBondContact O-N 2.94Å | ||
| 65 | N | 27.3 | Very low | 26.4 | Very low | 118 Ų | 118 | 146.8 Ų | 146.8 | 63% | 0.631 | 78% | 0.782 | S | S | * | * | trans | -62.9 | 84.3 | 161.9 | -83.6 | -5.1 | 0 | 0 | 0 | 107.9 | M63 | M63-N65 WeakPolarHBondContact CE-OD1 3.11Å; M63-N65 PolarHBondContact O-N 2.98Å; M63-N65 VanDerWaalsContact O-N 3.11Å | ||
| 66 | G | 23.4 | Very low | 26.4 | Very low | 60 Ų | 60 | 145.3 Ų | 145.3 | 62% | 0.619 | 79% | 0.785 | S | S | * | * | trans | -84.7 | 111.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | R64 I68 | R64-G66 PolarHBondContact O-N 2.94Å; G66-I68 PolarHBondContact O-N 2.85Å; G66-I68 VanDerWaalsContact O-N 3.11Å | ||
| 67 | C | 26.4 | Very low | 26.6 | Very low | 97 Ų | 97 | 147.4 Ų | 147.4 | 66% | 0.655 | 79% | 0.787 | S | S | * | * | trans | -58 | 113.5 | 166 | -81.6 | 0 | 0 | 0 | 0 | 109.1 | S69 | C67-S69 PolarHBondContact O-N 2.82Š| ||
| 68 | I | 25.8 | Very low | 26.6 | Very low | 147 Ų | 147 | 146.6 Ų | 146.6 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | -79.6 | 99.7 | 165.2 | -59.4 | 175.7 | 0 | 0 | 0 | 106.4 | G66 N70 | G66-I68 PolarHBondContact O-N 2.85Å; G66-I68 VanDerWaalsContact O-N 3.11Å; I68-N70 PolarHBondContact O-N 2.9Å; I68-N70 VanDerWaalsContact O-N 3.1Å | ||
| 69 | S | 25.6 | Very low | 26.7 | Very low | 103 Ų | 103 | 145.7 Ų | 145.7 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | -70.1 | 98.7 | 167.2 | -63.8 | 0 | 0 | 0 | 0 | 108.6 | C67 E71 | C67-S69 PolarHBondContact O-N 2.82Å; S69-E71 VanDerWaalsContact C-N 3.33Å; S69-E71 PolarHBondContact O-N 2.99Å | ||
| 70 | N | 29.2 | Very low | 26.7 | Very low | 148 Ų | 148 | 144.2 Ų | 144.2 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -75 | 92.7 | 164.3 | -83.7 | -12.9 | 0 | 0 | 0 | 108.2 | I68 N72 | I68-N70 PolarHBondContact O-N 2.9Å; I68-N70 VanDerWaalsContact O-N 3.1Å; N70-N72 PolarHBondContact O-N 3.36Å; N70-N72 VanDerWaalsContact O-N 3.16Å | ||
| 71 | E | 22.2 | Very low | 26.9 | Very low | 181 Ų | 181 | 145.4 Ų | 145.4 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -62.8 | 105.8 | 156.1 | -70.7 | -178.9 | 165.4 | 0 | 0 | 107.5 | S69 | S69-E71 VanDerWaalsContact C-N 3.33Å; S69-E71 PolarHBondContact O-N 2.99Å | ||
| 72 | N | 28.8 | Very low | 26.8 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -141.9 | 117.6 | 151.6 | -100.5 | -24.7 | 0 | 0 | 0 | 110.1 | N70 | N70-N72 PolarHBondContact O-N 3.36Å; N70-N72 VanDerWaalsContact O-N 3.16Å | ||
| 73 | E | 26.1 | Very low | 27.1 | Very low | 174 Ų | 174 | 150 Ų | 150 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -62.9 | 149.6 | 177.9 | -59.7 | 175.6 | 137.9 | 0 | 0 | 111.8 | ||||
| 74 | N | 28.2 | Very low | 27.1 | Very low | 164 Ų | 164 | 149.9 Ų | 149.9 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | 57.6 | 99.8 | 154.4 | -66.7 | -28.1 | 0 | 0 | 0 | 118.5 | ||||
| 75 | G | 27.6 | Very low | 27.3 | Very low | 75 Ų | 75 | 147.4 Ų | 147.4 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | 156.5 | 92.8 | 152.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | K77 | G75-K77 PolarHBondContact O-N 3.35Å; G75-K77 VanDerWaalsContact O-N 3.17Å | ||
| 76 | T | 25.3 | Very low | 27.4 | Very low | 146 Ų | 146 | 151 Ų | 151 | 90% | 0.896 | 81% | 0.805 | S | S | * | * | trans | -44.5 | 114.3 | 158.5 | 8.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 77 | K | 29.7 | Very low | 27.5 | Very low | 196 Ų | 196 | 155.9 Ų | 155.9 | 85% | 0.852 | 82% | 0.817 | S | S | * | * | 174.6 | 141.1 | 121.7 | -96.4 | 170.3 | -179.7 | -179.6 | 0 | 111.7 | G75 D79 | G75-K77 PolarHBondContact O-N 3.35Å; G75-K77 VanDerWaalsContact O-N 3.17Å; K77-D79 PolarHBondContact O-N 3.35Å | |||
| 78 | N | 28 | Very low | 27.6 | Very low | 161 Ų | 161 | 154.7 Ų | 154.7 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | trans | -47.2 | 111 | 179.2 | -56.3 | -24.3 | 0 | 0 | 0 | 113.2 | ||||
| 79 | D | 30 | Very low | 27.7 | Very low | 156 Ų | 156 | 154.8 Ų | 154.8 | 83% | 0.834 | 82% | 0.823 | S | S | * | * | trans | -115 | 112.3 | 153.8 | -84.4 | -32.2 | 0 | 0 | 0 | 108.1 | K77 M81 | K77-D79 PolarHBondContact O-N 3.35Å; D79-M81 PolarHBondContact O-N 3.29Å | ||
| 80 | T | 27.5 | Very low | 27.8 | Very low | 134 Ų | 134 | 156.1 Ų | 156.1 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | trans | -38.5 | 111.5 | 164.9 | -51.8 | 0 | 0 | 0 | 0 | 109.1 | K82 | T80-K82 PolarHBondContact O-N 3.17Š| ||
| 81 | M | 29.3 | Very low | 27.8 | Very low | 176 Ų | 176 | 156.5 Ų | 156.5 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | trans | -55.5 | 106.7 | 176.4 | -119.2 | -171.3 | -85.7 | 0 | 0 | 108.1 | D79 I83 | D79-M81 PolarHBondContact O-N 3.29Å; M81-I83 PolarHBondContact O-N 3.23Å | ||
| 82 | K | 26 | Very low | 28.2 | Very low | 193 Ų | 193 | 155.2 Ų | 155.2 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | trans | -66.1 | 103.5 | 165.1 | -76.5 | -179.6 | 178.9 | 175.6 | 0 | 105.5 | T80 E84 | T80-K82 PolarHBondContact O-N 3.17Å; K82-E84 VanDerWaalsContact C-N 3.31Å; K82-E84 PolarHBondContact O-N 3.35Å | ||
| 83 | I | 32.2 | Very low | 28.2 | Very low | 154 Ų | 154 | 152.2 Ų | 152.2 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -60.3 | 102.9 | 164.4 | -59.4 | 171.9 | 0 | 0 | 0 | 105.1 | M81 K85 | M81-I83 PolarHBondContact O-N 3.23Å; I83-K85 PolarHBondContact O-N 3.16Å | ||
| 84 | E | 27.7 | Very low | 28.3 | Very low | 164 Ų | 164 | 152.7 Ų | 152.7 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | trans | -61.4 | 107 | 169.4 | -76 | -171.7 | 159.3 | 0 | 0 | 107 | K82 F86 | K82-E84 VanDerWaalsContact C-N 3.31Å; K82-E84 PolarHBondContact O-N 3.35Å; E84-F86 PolarHBondContact O-N 3.26Å | ||
| 85 | K | 26.6 | Very low | 28.4 | Very low | 187 Ų | 187 | 151.3 Ų | 151.3 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | -58.3 | 101.7 | 171 | -73.6 | -179.4 | 174.4 | -175.3 | 0 | 107.9 | I83 N87 | I83-K85 PolarHBondContact O-N 3.16Å; K85-N87 PolarHBondContact O-N 3.4Å | ||
| 86 | F | 30.2 | Very low | 28.6 | Very low | 195 Ų | 195 | 155.2 Ų | 155.2 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -69 | 111.1 | 156.2 | -97.3 | -89.7 | 0 | 0 | 0 | 107.5 | E84 G88 | E84-F86 PolarHBondContact O-N 3.26Å; F86-G88 PolarHBondContact O-N 3.43Å | ||
| 87 | N | 26.2 | Very low | 28.7 | Very low | 162 Ų | 162 | 150.3 Ų | 150.3 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | trans | -58.7 | 116.5 | 171.9 | -73.8 | -26.4 | 0 | 0 | 0 | 109.3 | K85 | K85-N87 PolarHBondContact O-N 3.4Š| ||
| 88 | G | 27.3 | Very low | 28.8 | Very low | 71 Ų | 71 | 147.7 Ų | 147.7 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | trans | -164.8 | 104.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | F86 | F86-G88 PolarHBondContact O-N 3.43Š| ||
| 89 | D | 28.8 | Very low | 29.3 | Very low | 149 Ų | 149 | 146.4 Ų | 146.4 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | trans | -57.8 | 156.3 | -173.1 | -64.3 | -55.3 | 0 | 0 | 0 | 114.7 | ||||
| 90 | N | 27.8 | Very low | 29.8 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | 68.1 | 93.8 | 156.3 | -60.7 | -23.9 | 0 | 0 | 0 | 118.5 | ||||
| 91 | N | 29.5 | Very low | 30.8 | Very low | 155 Ų | 155 | 142.3 Ų | 142.3 | 83% | 0.829 | 74% | 0.739 | S | S | * | * | 171.5 | 138.2 | 97.7 | -89.1 | -36.2 | 0 | 0 | 0 | 111.9 | S93 | N91-S93 PolarHBondContact O-N 3.08Š| |||
| 92 | H | 28.9 | Very low | 32.6 | Very low | 154 Ų | 154 | 138.5 Ų | 138.5 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | trans | -40.7 | 122.7 | 166.2 | -79.8 | -84.5 | 0 | 0 | 0 | 113.3 | Y94 | H92-Y94 AromaticContact CE1-CE2 3.56Å; H92-Y94 AromaticContact ND1-CD2 3.58Å; H92-Y94 AromaticContact ND1-CE2 3.18Å; H92-Y94 WeakPolarHBondContact ND1-CE2 3.28Å | ||
| 93 | S | 29.6 | Very low | 34.9 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 69% | 0.692 | 69% | 0.692 | S | S | * | * | trans | -130.7 | 100.7 | 137.1 | 73.3 | 0 | 0 | 0 | 0 | 108.6 | N91 I95 | N91-S93 PolarHBondContact O-N 3.08Å; S93-I95 PolarHBondContact O-N 3.27Å; S93-I95 VanDerWaalsContact O-N 3.16Å | ||
| 94 | Y | 27.4 | Very low | 36.9 | Very low | 184 Ų | 184 | 126.9 Ų | 126.9 | 72% | 0.722 | 67% | 0.671 | S | S | * | * | trans | -60.3 | 105 | 156.1 | -78 | -90.7 | 0 | 0 | 0 | 107.1 | H92 | H92-Y94 AromaticContact CE1-CE2 3.56Å; H92-Y94 AromaticContact ND1-CD2 3.58Å; H92-Y94 AromaticContact ND1-CE2 3.18Å; H92-Y94 WeakPolarHBondContact ND1-CE2 3.28Å | ||
| 95 | I | 31.3 | Very low | 39.3 | Very low | 134 Ų | 134 | 123.2 Ų | 123.2 | 69% | 0.687 | 66% | 0.661 | S | S | * | * | trans | -108.3 | 69 | 156.9 | -52.8 | 179.6 | 0 | 0 | 0 | 106.2 | S93 G97 | S93-I95 PolarHBondContact O-N 3.27Å; S93-I95 VanDerWaalsContact O-N 3.16Å; I95-G97 VanDerWaalsContact C-N 3.32Å | ||
| 96 | N | 30.5 | Very low | 41.8 | Very low | 158 Ų | 158 | 115.4 Ų | 115.4 | 85% | 0.845 | 63% | 0.628 | S | S | * | * | trans | -93.1 | 80.1 | 146.5 | -82 | -15.9 | 0 | 0 | 0 | 104.8 | ||||
| 97 | G | 27.6 | Very low | 43.8 | Very low | 43 Ų | 43 | 108.9 Ų | 108.9 | 44% | 0.443 | 61% | 0.606 | S | S | . | * | trans | -120.6 | 120.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | I95 N99 | I95-G97 VanDerWaalsContact C-N 3.32Å; G97-N99 PolarHBondContact O-N 3.22Å | ||
| 98 | D | 32.4 | Very low | 46 | Very low | 140 Ų | 140 | 109.9 Ų | 109.9 | 75% | 0.749 | 60% | 0.603 | S | S | * | * | trans | -23.7 | 111.4 | 179.3 | -70.1 | -47.8 | 0 | 0 | 0 | 114 | N100 | D98-N100 PolarHBondContact O-N 2.77Š| ||
| 99 | N | 39.3 | Very low | 47.9 | Very low | 135 Ų | 135 | 110.7 Ų | 110.7 | 72% | 0.722 | 60% | 0.595 | S | S | * | * | trans | -66 | 73.1 | 167.3 | -71.4 | 9.6 | 0 | 0 | 0 | 109.1 | G97 D101 | G97-N99 PolarHBondContact O-N 3.22Å; N99-D101 PolarHBondContact O-N 3.39Å; N99-D101 VanDerWaalsContact O-N 3.1Å | ||
| 100 | N | 39.2 | Very low | 50.5 | Low | 118 Ų | 118 | 103.6 Ų | 103.6 | 63% | 0.631 | 56% | 0.557 | S | S | * | * | trans | -77.9 | 47.6 | 152.8 | -79.4 | -22.3 | 0 | 0 | 0 | 108.6 | D98 N102 | D98-N100 PolarHBondContact O-N 2.77Å; N100-N102 VanDerWaalsContact C-N 3.33Å; N100-N102 PolarHBondContact O-N 2.91Å | ||
| 101 | D | 49.9 | Very low | 53.4 | Low | 86 Ų | 86 | 102.4 Ų | 102.4 | 46% | 0.46 | 54% | 0.543 | S | S | . | . | trans | -70.8 | 95.6 | 173.3 | -65.3 | -28.8 | 0 | 0 | 0 | 105.7 | N99 F103 | N99-D101 PolarHBondContact O-N 3.39Å; N99-D101 VanDerWaalsContact O-N 3.1Å; D101-F103 PolarHBondContact O-N 3.43Å | ||
| 102 | N | 67.1 | Low | 56.5 | Low | 96 Ų | 96 | 95.7 Ų | 95.7 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | trans | -65.3 | 18.2 | 174.9 | -72.9 | -15.4 | 0 | 0 | 0 | 112.8 | N100 I121 | N100-N102 VanDerWaalsContact C-N 3.33Å; N100-N102 PolarHBondContact O-N 2.91Å; N102-I121 PolarHBondContact O-N 3.39Å | ||
| 103 | F | 72.6 | Confident | 59.6 | Low | 46 Ų | 46 | 90.9 Ų | 90.9 | 20% | 0.202 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 126.9 | -175.9 | -61.3 | -71.4 | 0 | 0 | 0 | 109.7 | D101 P105 I121 H123 L143 F228 | D101-F103 PolarHBondContact O-N 3.43Å; F103-P105 VanDerWaalsContact O-CD 3.28Å; F103-P105 WeakPolarHBondContact O-CD 3.44Å; F103-I121 WeakPolarHBondContact CA-O 3.46Å; F103-I121 HydrophobicContact CD1-CB 3.79Å; F103-I121 HydrophobicContact CD1-CG2 3.81Å; F103-I121 HydrophobicContact CE1-CB 3.93Å; F103-I121 HydrophobicContact CE1-CD1 3.92Å; F103-I121 HydrophobicContact CE1-CG2 3.77Å; F103-I121 HydrophobicContact CZ-CD1 4.44Å; F103-H123 HydrophobicContact CB-CB 4.09Å; F103-H123 HydrophobicContact CD1-CB 4.4Å; F103-L143 HydrophobicContact CD1-CB 4.48Å; F103-L143 HydrophobicContact CD1-CD2 3.85Å; F103-L143 HydrophobicContact CE1-CB 4.3Å; F103-L143 HydrophobicContact CE1-CD2 3.65Å; F103-L143 HydrophobicContact CZ-CD2 4.29Å; F103-F228 HydrophobicContact CE1-CE1 4.23Å; F103-F228 AromaticContact CE1-CZ 3.95Å; F103-F228 HydrophobicContact CE1-CZ 3.95Å; F103-F228 HydrophobicContact CZ-CZ 4.2Å |
| 104 | V | 76 | Confident | 62.6 | Low | 56 Ų | 56 | 86.8 Ų | 86.8 | 34% | 0.339 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 102.5 | 168.3 | -179.5 | 0 | 0 | 0 | 0 | 108 | I106 Y118 I121 H123 | V104-I106 HydrophobicContact CG1-CG1 4.45Å; V104-Y118 VanDerWaalsContact CG2-OH 3.3Å; V104-Y118 WeakPolarHBondContact CG2-OH 3.34Å; V104-I121 PolarHBondContact N-O 2.87Å; V104-I121 VanDerWaalsContact N-O 3.14Å; V104-H123 PolarHBondContact O-N 3.46Å |
| 105 | P | 76.5 | Confident | 65.7 | Low | 88 Ų | 88 | 84.4 Ų | 84.4 | 57% | 0.571 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 133.9 | -178.3 | 28.8 | -34.9 | 0 | 0 | 0 | 111.7 | F103 H123 | F103-P105 VanDerWaalsContact O-CD 3.28Å; F103-P105 WeakPolarHBondContact O-CD 3.44Å; P105-H123 CarbonylContact C-O 3.53Å; P105-H123 WeakPolarHBondContact CA-O 3.2Å |
| 106 | I | 79.8 | Confident | 68.6 | Low | 22 Ų | 22 | 78.4 Ų | 78.4 | 11% | 0.113 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 87.6 | -177.1 | -56.9 | 173 | 0 | 0 | 0 | 107.9 | V104 R111 F112 H123 L124 C125 S126 | V104-I106 HydrophobicContact CG1-CG1 4.45Å; I106-R111 WeakPolarHBondContact CG2-O 3.47Å; I106-F112 HydrophobicContact CD1-CB 3.49Å; I106-F112 VanDerWaalsContact CD1-CB 3.49Å; I106-F112 HydrophobicContact CD1-CD2 3.15Å; I106-F112 HydrophobicContact CD1-CE2 4.09Å; I106-F112 HydrophobicContact CD1-CG 3.58Å; I106-H123 PolarHBondContact N-O 3.31Å; I106-L124 HydrophobicContact CB-CD2 3.89Å; I106-L124 HydrophobicContact CD1-CD2 3.76Å; I106-L124 HydrophobicContact CG1-CD2 4.33Å; I106-L124 HydrophobicContact CG2-CD2 4.2Å; I106-C125 PolarHBondContact O-N 2.78Å; I106-C125 PolarHBondContact O-SG 2.88Å; I106-C125 VanDerWaalsContact O-SG 3.34Å; I106-S126 PolarHBondContact O-OG 3.01Å |
| 107 | C | 72.6 | Confident | 71.4 | Confident | 58 Ų | 58 | 76 Ų | 76 | 39% | 0.392 | 40% | 0.404 | S | S | . | . | trans | -97.5 | -29.6 | -172.3 | -61 | 0 | 0 | 0 | 0 | 114.2 | C125 S126 | C107-C125 WeakPolarHBondContact CA-SG 3.44Å; C107-C125 HydrophobicContact CB-CB 4.16Å; C107-C125 WeakPolarHBondContact CB-SG 3.41Å; C107-C125 PolarHBondContact N-SG 2.77Å; C107-C125 WeakPolarHBondContact SG-CB 3.45Å; C107-C125 CovalentContact SG-SG 2.06Å; C107-C125 PolarHBondContact SG-SG 2.82Å; C107-S126 WeakPolarHBondContact O-CA 3.47Å; C107-S126 WeakPolarHBondContact O-CB 3.35Å; C107-S126 PolarHBondContact O-OG 2.94Å | ||
| 108 | K | 71.3 | Confident | 74.3 | Confident | 183 Ų | 183 | 75.9 Ų | 75.9 | 80% | 0.796 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -157.1 | 139.1 | 166.7 | -65.7 | -168.6 | -179.9 | 173.3 | 0 | 109.7 | ||
| 109 | P | 68.1 | Low | 76.8 | Confident | 88 Ų | 88 | 74.9 Ų | 74.9 | 57% | 0.571 | 39% | 0.39 | S | S | * | . | S | Bend | cis | -86.8 | 25.1 | 9.4 | 35.2 | -37.8 | 0 | 0 | 0 | 115.5 | R111 | P109-R111 VanDerWaalsContact C-N 3.32Å; P109-R111 HydrophobicContact CB-CG 4.29Å; P109-R111 HydrophobicContact CG-CB 4.29Å; P109-R111 HydrophobicContact CG-CG 3.85Å; P109-R111 PolarHBondContact O-N 3.28Å |
| 110 | G | 82.8 | Confident | 79.1 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 37% | 0.372 | C | S | . | . | trans | 69.8 | 30.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S126 G129 Y130 | G110-S126 WeakPolarHBondContact CA-OG 3.41Å; G110-S126 PolarHBondContact N-OG 3.43Å; G110-S126 VanDerWaalsContact N-OG 3.15Å; G110-G129 CarbonylContact O-C 3.6Å; G110-G129 WeakPolarHBondContact O-CA 3.37Å; G110-Y130 PolarHBondContact O-N 3.1Å | ||
| 111 | R | 89.4 | Confident | 81.6 | Confident | 107 Ų | 107 | 66.4 Ų | 66.4 | 40% | 0.404 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 119.7 | -175.7 | -59.9 | 175.7 | -168.6 | -163.1 | 2.9 | 109.2 | Y11 E15 I106 P109 Y130 | Y11-R111 PolarHBondContact OH-NH1 2.93Å; E15-R111 IonicContact OE1-NH1 2.7Å; I106-R111 WeakPolarHBondContact CG2-O 3.47Å; P109-R111 VanDerWaalsContact C-N 3.32Å; P109-R111 HydrophobicContact CB-CG 4.29Å; P109-R111 HydrophobicContact CG-CB 4.29Å; P109-R111 HydrophobicContact CG-CG 3.85Å; P109-R111 PolarHBondContact O-N 3.28Å; R111-Y130 WeakPolarHBondContact CA-O 3.24Å; R111-Y130 HydrophobicContact CB-CE2 4.11Å; R111-Y130 VanDerWaalsContact CD-OH 3.24Å; R111-Y130 WeakPolarHBondContact CD-OH 3.32Å; R111-Y130 HydrophobicContact CG-CD1 4.46Å; R111-Y130 HydrophobicContact CG-CE1 3.85Å; R111-Y130 HydrophobicContact CG-CE2 3.94Å |
| 112 | F | 94.2 | Very high | 83.6 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 7% | 0.066 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 130.6 | 169.2 | -176.4 | -117.8 | 0 | 0 | 0 | 109.8 | I106 C114 Y118 P122 L124 Y130 L131 I132 M140 | I106-F112 HydrophobicContact CD1-CB 3.49Å; I106-F112 VanDerWaalsContact CD1-CB 3.49Å; I106-F112 HydrophobicContact CD1-CD2 3.15Å; I106-F112 HydrophobicContact CD1-CE2 4.09Å; I106-F112 HydrophobicContact CD1-CG 3.58Å; F112-C114 HydrophobicContact CE1-CB 3.86Å; F112-C114 HydrophobicContact CZ-CB 3.76Å; F112-Y118 HydrophobicContact CE1-CD1 4.48Å; F112-Y118 HydrophobicContact CE1-CE1 4.33Å; F112-Y118 HydrophobicContact CE2-CE1 4.47Å; F112-Y118 HydrophobicContact CE2-CE2 4.26Å; F112-Y118 AromaticContact CE2-CZ 3.96Å; F112-Y118 HydrophobicContact CZ-CD1 4.07Å; F112-Y118 HydrophobicContact CZ-CD2 4.12Å; F112-Y118 AromaticContact CZ-CE1 3.63Å; F112-Y118 HydrophobicContact CZ-CE1 3.63Å; F112-Y118 AromaticContact CZ-CE2 3.71Å; F112-Y118 HydrophobicContact CZ-CE2 3.71Å; F112-Y118 HydrophobicContact CZ-CG 4.29Å; F112-Y118 AromaticContact CZ-CZ 3.44Å; F112-Y118 VanDerWaalsContact CZ-CZ 3.44Å; F112-P122 HydrophobicContact CD1-CB 3.81Å; F112-P122 HydrophobicContact CD1-CG 3.77Å; F112-P122 HydrophobicContact CD2-CB 4.33Å; F112-P122 HydrophobicContact CE1-CB 3.78Å; F112-P122 HydrophobicContact CE1-CG 3.26Å; F112-P122 HydrophobicContact CE2-CB 4.24Å; F112-P122 HydrophobicContact CE2-CG 4.26Å; F112-P122 HydrophobicContact CG-CB 4.1Å; F112-P122 HydrophobicContact CG-CG 4.48Å; F112-P122 HydrophobicContact CZ-CB 3.99Å; F112-P122 HydrophobicContact CZ-CG 3.54Å; F112-L124 HydrophobicContact CB-CD2 3.92Å; F112-Y130 PolarHBondContact N-O 2.79Å; F112-L131 HydrophobicContact CD1-CD1 3.66Å; F112-L131 HydrophobicContact CD1-CG 3.81Å; F112-L131 HydrophobicContact CE1-CD1 4.28Å; F112-L131 CarbonylContact O-C 3.5Å; F112-L131 WeakPolarHBondContact O-CA 3.22Å; F112-I132 PolarHBondContact O-N 2.87Å; F112-M140 HydrophobicContact CE1-CE 4.36Å; F112-M140 HydrophobicContact CE1-SD 4.31Å |
| 113 | I | 93.4 | Very high | 84.9 | Confident | 52 Ų | 52 | 59.2 Ų | 59.2 | 27% | 0.267 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 127.5 | 175.4 | -47.4 | 178.7 | 0 | 0 | 0 | 109 | L19 I132 I134 | L19-I113 HydrophobicContact CD1-CB 4.45Å; L19-I113 HydrophobicContact CD1-CD1 4.47Å; L19-I113 HydrophobicContact CD1-CG2 3.58Å; I113-I132 WeakPolarHBondContact CA-O 3.47Å; I113-I132 HydrophobicContact CD1-CD1 4.48Å; I113-I132 HydrophobicContact CG1-CB 4.22Å; I113-I132 HydrophobicContact CG2-CB 4.12Å; I113-I132 HydrophobicContact CG2-CG2 4.17Å; I113-I134 HydrophobicContact CG2-CD1 4.15Å |
| 114 | C | 93.4 | Very high | 85.9 | Confident | 13 Ų | 13 | 57 Ų | 57 | 9% | 0.088 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 170 | 174.4 | 65.4 | 0 | 0 | 0 | 0 | 111 | F112 Y118 I132 I134 M140 | F112-C114 HydrophobicContact CE1-CB 3.86Å; F112-C114 HydrophobicContact CZ-CB 3.76Å; C114-Y118 HydrophobicContact CB-CD2 3.99Å; C114-Y118 HydrophobicContact CB-CG 4.32Å; C114-I132 PolarHBondContact N-O 3.14Å; C114-I134 PolarHBondContact O-N 3.34Å; C114-M140 WeakPolarHBondContact SG-CE 3.44Å |
| 115 | R | 92.5 | Very high | 86.7 | Confident | 134 Ų | 134 | 54.6 Ų | 54.6 | 51% | 0.506 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 135.2 | 178.5 | -177.3 | 176.3 | -174.4 | 161 | 0.9 | 111.4 | L117 I134 E135 | R115-L117 PolarHBondContact O-N 2.89Å; R115-I134 CarbonylContact C-O 3.55Å; R115-I134 WeakPolarHBondContact CA-O 3.03Å; R115-I134 HydrophobicContact CB-CB 4.06Å; R115-I134 HydrophobicContact CG-CB 4Å; R115-I134 HydrophobicContact CG-CG2 4Å; R115-I134 WeakPolarHBondContact CG-O 3.3Å; R115-E135 IonicContact CZ-OE1 4Å; R115-E135 IonicContact CZ-OE2 2.8Å; R115-E135 IonicContact NE-OE1 3.82Å; R115-E135 IonicContact NE-OE2 2.79Å; R115-E135 PolarHBondContact NE-OE2 2.96Å; R115-E135 IonicContact NH2-OE1 3Å; R115-E135 PolarHBondContact NH2-OE1 2.73Å; R115-E135 IonicContact NH2-OE2 3.71Å; R115-E135 PolarHBondContact NH2-OE2 3.09Å |
| 116 | G | 91.3 | Very high | 87.4 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 8% | 0.082 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 74.5 | -124.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | W133 I134 E135 | G116-W133 PolarHBondContact O-NE1 3.05Å; G116-I134 PolarHBondContact N-O 2.86Å; G116-E135 VanDerWaalsContact CA-O 3.23Å; G116-E135 WeakPolarHBondContact CA-O 3.29Å; G116-E135 PolarHBondContact N-O 3.19Å |
| 117 | L | 89.3 | Confident | 87.8 | Confident | 108 Ų | 108 | 54.7 Ų | 54.7 | 57% | 0.565 | 27% | 0.273 | S | S | * | . | trans | -86.3 | 134.7 | 179 | -53.8 | 173.4 | 0 | 0 | 0 | 108.7 | R115 K137 Q138 | R115-L117 PolarHBondContact O-N 2.89Å; L117-K137 HydrophobicContact CD2-CB 3.45Å; L117-K137 VanDerWaalsContact CD2-CB 3.45Å; L117-K137 HydrophobicContact CG-CB 4.22Å; L117-Q138 HydrophobicContact CB-CG 4.4Å; L117-Q138 HydrophobicContact CD2-CB 3.71Å; L117-Q138 HydrophobicContact CD2-CG 3.74Å; L117-Q138 VanDerWaalsContact CD2-OE1 3.27Å | ||
| 118 | Y | 88.4 | Confident | 88.6 | Confident | 40 Ų | 40 | 55.5 Ų | 55.5 | 16% | 0.157 | 28% | 0.277 | C | S | . | . | trans | -141.7 | 109.7 | 177.4 | -171.5 | -95.9 | 0 | 0 | 0 | 108.8 | V104 F112 C114 D120 P122 Q138 M140 | V104-Y118 VanDerWaalsContact CG2-OH 3.3Å; V104-Y118 WeakPolarHBondContact CG2-OH 3.34Å; F112-Y118 HydrophobicContact CE1-CD1 4.48Å; F112-Y118 HydrophobicContact CE1-CE1 4.33Å; F112-Y118 HydrophobicContact CE2-CE1 4.47Å; F112-Y118 HydrophobicContact CE2-CE2 4.26Å; F112-Y118 AromaticContact CE2-CZ 3.96Å; F112-Y118 HydrophobicContact CZ-CD1 4.07Å; F112-Y118 HydrophobicContact CZ-CD2 4.12Å; F112-Y118 AromaticContact CZ-CE1 3.63Å; F112-Y118 HydrophobicContact CZ-CE1 3.63Å; F112-Y118 AromaticContact CZ-CE2 3.71Å; F112-Y118 HydrophobicContact CZ-CE2 3.71Å; F112-Y118 HydrophobicContact CZ-CG 4.29Å; F112-Y118 AromaticContact CZ-CZ 3.44Å; F112-Y118 VanDerWaalsContact CZ-CZ 3.44Å; C114-Y118 HydrophobicContact CB-CD2 3.99Å; C114-Y118 HydrophobicContact CB-CG 4.32Å; Y118-D120 WeakPolarHBondContact CD1-O 3.36Å; Y118-D120 HydrophobicContact CE1-CB 3.82Å; Y118-D120 WeakPolarHBondContact CE1-O 3.44Å; Y118-P122 HydrophobicContact CD1-CG 4.03Å; Y118-P122 HydrophobicContact CE1-CG 3.54Å; Y118-Q138 VanDerWaalsContact N-NE2 3.16Å; Y118-Q138 PolarHBondContact O-NE2 2.89Å; Y118-M140 HydrophobicContact CD1-CE 4.04Å; Y118-M140 HydrophobicContact CD1-CG 4.4Å; Y118-M140 HydrophobicContact CG-CE 4.05Å | ||
| 119 | T | 85.2 | Confident | 89.6 | Confident | 120 Ų | 120 | 47.5 Ų | 47.5 | 74% | 0.736 | 25% | 0.246 | S | C | * | . | trans | -91.6 | -24.4 | -168.4 | 47.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 120 | D | 88.7 | Confident | 90.7 | Very high | 65 Ų | 65 | 45 Ų | 45 | 35% | 0.348 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -79.3 | 172.6 | 177.5 | -52.3 | -33.8 | 0 | 0 | 0 | 110.2 | Y118 | Y118-D120 WeakPolarHBondContact CD1-O 3.36Å; Y118-D120 HydrophobicContact CE1-CB 3.82Å; Y118-D120 WeakPolarHBondContact CE1-O 3.44Å |
| 121 | I | 91.1 | Very high | 91.2 | Very high | 9 Ų | 9 | 45 Ų | 45 | 5% | 0.046 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 110.9 | 177.9 | -56.8 | 179.2 | 0 | 0 | 0 | 108 | N102 F103 V104 H123 H141 L143 F180 F228 | N102-I121 PolarHBondContact O-N 3.39Å; F103-I121 WeakPolarHBondContact CA-O 3.46Å; F103-I121 HydrophobicContact CD1-CB 3.79Å; F103-I121 HydrophobicContact CD1-CG2 3.81Å; F103-I121 HydrophobicContact CE1-CB 3.93Å; F103-I121 HydrophobicContact CE1-CD1 3.92Å; F103-I121 HydrophobicContact CE1-CG2 3.77Å; F103-I121 HydrophobicContact CZ-CD1 4.44Å; V104-I121 PolarHBondContact N-O 2.87Å; V104-I121 VanDerWaalsContact N-O 3.14Å; I121-H123 PolarHBondContact O-N 3.23Å; I121-H141 HydrophobicContact CG1-CB 4.3Å; I121-L143 HydrophobicContact CG2-CB 4Å; I121-F180 HydrophobicContact CD1-CB 3.33Å; I121-F180 HydrophobicContact CD1-CD1 3.66Å; I121-F180 HydrophobicContact CD1-CD2 4.24Å; I121-F180 HydrophobicContact CD1-CG 3.48Å; I121-F180 VanDerWaalsContact CD1-CG 3.48Å; I121-F228 HydrophobicContact CD1-CE1 4.32Å; I121-F228 HydrophobicContact CG2-CE1 4.13Å |
| 122 | P | 92.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 127.1 | 170.5 | -15.7 | 31.2 | 0 | 0 | 0 | 108.7 | F112 Y118 M140 H141 V142 L143 | F112-P122 HydrophobicContact CD1-CB 3.81Å; F112-P122 HydrophobicContact CD1-CG 3.77Å; F112-P122 HydrophobicContact CD2-CB 4.33Å; F112-P122 HydrophobicContact CE1-CB 3.78Å; F112-P122 HydrophobicContact CE1-CG 3.26Å; F112-P122 HydrophobicContact CE2-CB 4.24Å; F112-P122 HydrophobicContact CE2-CG 4.26Å; F112-P122 HydrophobicContact CG-CB 4.1Å; F112-P122 HydrophobicContact CG-CG 4.48Å; F112-P122 HydrophobicContact CZ-CB 3.99Å; F112-P122 HydrophobicContact CZ-CG 3.54Å; Y118-P122 HydrophobicContact CD1-CG 4.03Å; Y118-P122 HydrophobicContact CE1-CG 3.54Å; P122-M140 HydrophobicContact CG-CG 4.46Å; P122-M140 HydrophobicContact CG-SD 4.07Å; P122-H141 WeakPolarHBondContact CD-O 3.4Å; P122-V142 HydrophobicContact CB-CG1 4.43Å; P122-V142 HydrophobicContact CG-CG2 4.36Å; P122-L143 PolarHBondContact O-N 3.33Å |
| 123 | H | 92.9 | Very high | 91.5 | Very high | 31 Ų | 31 | 39.6 Ų | 39.6 | 14% | 0.144 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 104.3 | 176.7 | 173.9 | -151 | 0 | 0 | 0 | 109.2 | F103 V104 P105 I106 I121 L143 T145 | F103-H123 HydrophobicContact CB-CB 4.09Å; F103-H123 HydrophobicContact CD1-CB 4.4Å; V104-H123 PolarHBondContact O-N 3.46Å; P105-H123 CarbonylContact C-O 3.53Å; P105-H123 WeakPolarHBondContact CA-O 3.2Å; I106-H123 PolarHBondContact N-O 3.31Å; I121-H123 PolarHBondContact O-N 3.23Å; H123-L143 CarbonylContact C-O 3.56Å; H123-L143 WeakPolarHBondContact CA-O 3.45Å; H123-T145 WeakPolarHBondContact NE2-CG2 3.45Å; H123-T145 PolarHBondContact NE2-OG1 2.96Å |
| 124 | L | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 98.9 | -174 | -57.8 | -178.3 | 0 | 0 | 0 | 109.8 | I106 F112 L131 V142 L143 F144 T145 F254 | I106-L124 HydrophobicContact CB-CD2 3.89Å; I106-L124 HydrophobicContact CD1-CD2 3.76Å; I106-L124 HydrophobicContact CG1-CD2 4.33Å; I106-L124 HydrophobicContact CG2-CD2 4.2Å; F112-L124 HydrophobicContact CB-CD2 3.92Å; L124-L131 HydrophobicContact CD1-CB 4.47Å; L124-L131 HydrophobicContact CD1-CD1 4.41Å; L124-V142 HydrophobicContact CD1-CG1 3.62Å; L124-V142 HydrophobicContact CG-CG1 3.97Å; L124-L143 PolarHBondContact N-O 2.99Å; L124-F144 HydrophobicContact CB-CD1 3.61Å; L124-F144 HydrophobicContact CB-CE1 3.64Å; L124-F144 HydrophobicContact CB-CG 4.49Å; L124-F144 HydrophobicContact CD1-CD1 4.31Å; L124-F144 HydrophobicContact CD1-CE1 3.48Å; L124-F144 VanDerWaalsContact CD1-CE1 3.48Å; L124-F144 HydrophobicContact CD1-CZ 3.73Å; L124-F144 HydrophobicContact CG-CE1 4.13Å; L124-F144 WeakPolarHBondContact O-CA 3.35Å; L124-T145 PolarHBondContact O-N 3.1Å; L124-F254 HydrophobicContact CB-CE1 4.37Å; L124-F254 HydrophobicContact CB-CE2 4.31Å; L124-F254 HydrophobicContact CB-CZ 3.96Å; L124-F254 HydrophobicContact CD1-CD1 4.07Å; L124-F254 HydrophobicContact CD1-CE1 3.69Å; L124-F254 HydrophobicContact CD1-CZ 4.16Å; L124-F254 HydrophobicContact CD2-CE1 4.5Å; L124-F254 HydrophobicContact CG-CE1 4.41Å; L124-F254 HydrophobicContact CG-CZ 4.43Å |
| 125 | C | 92.5 | Very high | 91.4 | Very high | 6 Ų | 6 | 42.1 Ų | 42.1 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | trans | -99.8 | -3.3 | -175.7 | 32.3 | 0 | 0 | 0 | 0 | 114.4 | I106 C107 T145 G147 | I106-C125 PolarHBondContact O-N 2.78Å; I106-C125 PolarHBondContact O-SG 2.88Å; I106-C125 VanDerWaalsContact O-SG 3.34Å; C107-C125 WeakPolarHBondContact CA-SG 3.44Å; C107-C125 HydrophobicContact CB-CB 4.16Å; C107-C125 WeakPolarHBondContact CB-SG 3.41Å; C107-C125 PolarHBondContact N-SG 2.77Å; C107-C125 WeakPolarHBondContact SG-CB 3.45Å; C107-C125 CovalentContact SG-SG 2.06Å; C107-C125 PolarHBondContact SG-SG 2.82Å; C125-T145 VanDerWaalsContact CA-O 3.25Å; C125-T145 WeakPolarHBondContact CA-O 3.36Å; C125-G147 PolarHBondContact O-N 3.07Å; C125-G147 VanDerWaalsContact O-N 3.13Å | ||
| 126 | S | 90.9 | Very high | 91.3 | Very high | 6 Ų | 6 | 37.2 Ų | 37.2 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -73.3 | 147.3 | -179.5 | -56.5 | 0 | 0 | 0 | 0 | 113.1 | I106 C107 G110 T128 F254 L256 | I106-S126 PolarHBondContact O-OG 3.01Å; C107-S126 WeakPolarHBondContact O-CA 3.47Å; C107-S126 WeakPolarHBondContact O-CB 3.35Å; C107-S126 PolarHBondContact O-OG 2.94Å; G110-S126 WeakPolarHBondContact CA-OG 3.41Å; G110-S126 PolarHBondContact N-OG 3.43Å; G110-S126 VanDerWaalsContact N-OG 3.15Å; S126-T128 WeakPolarHBondContact CB-O 3.24Å; S126-T128 PolarHBondContact O-N 2.96Å; S126-F254 WeakPolarHBondContact O-CE2 3.32Å; S126-L256 VanDerWaalsContact O-CD1 3.26Å; S126-L256 WeakPolarHBondContact O-CD1 3.38Å; S126-L256 WeakPolarHBondContact O-CG 3.09Å |
| 127 | E | 89.3 | Confident | 91.3 | Very high | 105 Ų | 105 | 43.7 Ų | 43.7 | 49% | 0.491 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -61 | -32.8 | 171.6 | -57.5 | -176.5 | 156.8 | 0 | 0 | 113 | Y146 R255 L256 | E127-Y146 VanDerWaalsContact CD-OH 3.24Å; E127-Y146 HydrophobicContact CG-CE1 4.21Å; E127-Y146 HydrophobicContact CG-CE2 4.27Å; E127-Y146 WeakPolarHBondContact CG-OH 3.18Å; E127-Y146 PolarHBondContact OE1-OH 3.49Å; E127-R255 CarbonylContact O-C 3.54Å; E127-R255 VanDerWaalsContact O-CA 3.27Å; E127-R255 WeakPolarHBondContact O-CA 3.47Å; E127-L256 PolarHBondContact O-N 3.17Å |
| 128 | T | 89.3 | Confident | 91.3 | Very high | 75 Ų | 75 | 41.3 Ų | 41.3 | 46% | 0.46 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 150.1 | 177 | 53.4 | 0 | 0 | 0 | 0 | 110.1 | S126 R255 | S126-T128 WeakPolarHBondContact CB-O 3.24Å; S126-T128 PolarHBondContact O-N 2.96Å; T128-R255 HydrophobicContact CG2-CB 4.18Å; T128-R255 HydrophobicContact CG2-CG 3.83Å |
| 129 | G | 91.3 | Very high | 91.5 | Very high | 15 Ų | 15 | 42 Ų | 42 | 16% | 0.155 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.8 | -169.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | G110 F254 | G110-G129 CarbonylContact O-C 3.6Å; G110-G129 WeakPolarHBondContact O-CA 3.37Å; G129-F254 VanDerWaalsContact C-CD1 3.44Å; G129-F254 VanDerWaalsContact CA-CE1 3.49Å; G129-F254 VanDerWaalsContact CA-CZ 3.48Å; G129-F254 PolarHBondContact N-O 3.1Å; G129-F254 WeakPolarHBondContact O-CD1 3.36Å; G129-F254 PolarHBondContact O-N 3.24Å |
| 130 | Y | 91.9 | Very high | 92 | Very high | 36 Ų | 36 | 36.3 Ų | 36.3 | 14% | 0.141 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 150.7 | 172.8 | 58 | -102.1 | 0 | 0 | 0 | 112.4 | E15 G110 R111 F112 I132 L252 F254 | E15-Y130 PolarHBondContact OE1-OH 2.79Å; G110-Y130 PolarHBondContact O-N 3.1Å; R111-Y130 WeakPolarHBondContact CA-O 3.24Å; R111-Y130 HydrophobicContact CB-CE2 4.11Å; R111-Y130 VanDerWaalsContact CD-OH 3.24Å; R111-Y130 WeakPolarHBondContact CD-OH 3.32Å; R111-Y130 HydrophobicContact CG-CD1 4.46Å; R111-Y130 HydrophobicContact CG-CE1 3.85Å; R111-Y130 HydrophobicContact CG-CE2 3.94Å; F112-Y130 PolarHBondContact N-O 2.79Å; Y130-I132 HydrophobicContact CD2-CD1 3.79Å; Y130-I132 HydrophobicContact CD2-CG1 3.78Å; Y130-I132 HydrophobicContact CE2-CD1 3.59Å; Y130-I132 HydrophobicContact CE2-CG1 4.09Å; Y130-L252 CarbonylContact C-O 3.47Å; Y130-L252 VanDerWaalsContact CA-O 3.25Å; Y130-L252 WeakPolarHBondContact CA-O 3.27Å; Y130-F254 VanDerWaalsContact N-CE1 3.28Å |
| 131 | L | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 126.7 | 167.4 | 176 | 151.7 | 0 | 0 | 0 | 108.6 | F112 L124 W133 M140 V142 L231 F250 K251 L252 | F112-L131 HydrophobicContact CD1-CD1 3.66Å; F112-L131 HydrophobicContact CD1-CG 3.81Å; F112-L131 HydrophobicContact CE1-CD1 4.28Å; F112-L131 CarbonylContact O-C 3.5Å; F112-L131 WeakPolarHBondContact O-CA 3.22Å; L124-L131 HydrophobicContact CD1-CB 4.47Å; L124-L131 HydrophobicContact CD1-CD1 4.41Å; L131-W133 HydrophobicContact CD2-CB 4.08Å; L131-M140 HydrophobicContact CD1-SD 4.05Å; L131-V142 HydrophobicContact CD1-CG1 4.46Å; L131-V142 HydrophobicContact CD1-CG2 3.86Å; L131-L231 HydrophobicContact CD1-CD1 4.22Å; L131-L231 HydrophobicContact CD2-CD1 3.99Å; L131-F250 HydrophobicContact CD2-CD1 4.31Å; L131-F250 HydrophobicContact CD2-CE1 4.41Å; L131-K251 WeakPolarHBondContact O-CA 3.35Å; L131-L252 HydrophobicContact CB-CB 4.33Å; L131-L252 PolarHBondContact N-O 2.87Å; L131-L252 PolarHBondContact O-N 3.03Å |
| 132 | I | 94.4 | Very high | 92.4 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 5% | 0.046 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 120.7 | 171.8 | -64.9 | 171 | 0 | 0 | 0 | 108.9 | L12 F112 I113 C114 Y130 I134 P249 F250 K251 | L12-I132 HydrophobicContact CD2-CD1 4.06Å; F112-I132 PolarHBondContact O-N 2.87Å; I113-I132 WeakPolarHBondContact CA-O 3.47Å; I113-I132 HydrophobicContact CD1-CD1 4.48Å; I113-I132 HydrophobicContact CG1-CB 4.22Å; I113-I132 HydrophobicContact CG2-CB 4.12Å; I113-I132 HydrophobicContact CG2-CG2 4.17Å; C114-I132 PolarHBondContact N-O 3.14Å; Y130-I132 HydrophobicContact CD2-CD1 3.79Å; Y130-I132 HydrophobicContact CD2-CG1 3.78Å; Y130-I132 HydrophobicContact CE2-CD1 3.59Å; Y130-I132 HydrophobicContact CE2-CG1 4.09Å; I132-I134 HydrophobicContact CG2-CG1 4.06Å; I132-P249 HydrophobicContact CG2-CB 3.7Å; I132-F250 CarbonylContact C-O 3.55Å; I132-F250 WeakPolarHBondContact CA-O 3.48Å; I132-K251 HydrophobicContact CG1-CB 4.37Å; I132-K251 HydrophobicContact CG1-CD 4.26Å; I132-K251 HydrophobicContact CG1-CG 4.16Å |
| 133 | W | 94.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 106.7 | 176.8 | -167.3 | 9.6 | 0 | 0 | 0 | 110.6 | G116 L131 P136 Q138 M140 L231 V233 F250 | G116-W133 PolarHBondContact O-NE1 3.05Å; L131-W133 HydrophobicContact CD2-CB 4.08Å; W133-P136 HydrophobicContact CD2-CB 3.31Å; W133-P136 VanDerWaalsContact CE2-CB 3.44Å; W133-P136 HydrophobicContact CE3-CB 3.55Å; W133-P136 HydrophobicContact CG-CB 3.79Å; W133-P136 HydrophobicContact CH2-CB 4.14Å; W133-P136 HydrophobicContact CZ2-CB 3.88Å; W133-P136 HydrophobicContact CZ3-CB 3.95Å; W133-Q138 WeakPolarHBondContact CH2-O 3.46Å; W133-Q138 HydrophobicContact CZ2-CG 4.31Å; W133-M140 HydrophobicContact CD2-CE 3.63Å; W133-M140 HydrophobicContact CE3-CE 4.1Å; W133-M140 HydrophobicContact CE3-SD 4.49Å; W133-M140 HydrophobicContact CG-CE 3.97Å; W133-M140 HydrophobicContact CH2-CB 3.54Å; W133-M140 HydrophobicContact CH2-CE 4.23Å; W133-M140 HydrophobicContact CZ2-CB 4.12Å; W133-M140 HydrophobicContact CZ2-CE 3.86Å; W133-M140 HydrophobicContact CZ3-CB 3.81Å; W133-M140 HydrophobicContact CZ3-CE 4.38Å; W133-L231 HydrophobicContact CE3-CB 4.42Å; W133-L231 HydrophobicContact CE3-CD1 4.41Å; W133-L231 HydrophobicContact CZ3-CB 3.84Å; W133-V233 HydrophobicContact CH2-CG2 4.24Å; W133-V233 HydrophobicContact CZ3-CG2 4.36Å; W133-F250 HydrophobicContact CB-CB 4.33Å; W133-F250 HydrophobicContact CB-CD1 4.31Å; W133-F250 PolarHBondContact N-O 3.25Å; W133-F250 PolarHBondContact O-N 2.98Å |
| 134 | I | 92.9 | Very high | 92.5 | Very high | 20 Ų | 20 | 32.7 Ų | 32.7 | 10% | 0.103 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 127.8 | -178 | -56.3 | 173.9 | 0 | 0 | 0 | 109 | I16 L19 I113 C114 R115 G116 I132 P249 | I16-I134 HydrophobicContact CG1-CD1 4.41Å; L19-I134 HydrophobicContact CD1-CD1 3.89Å; I113-I134 HydrophobicContact CG2-CD1 4.15Å; C114-I134 PolarHBondContact O-N 3.34Å; R115-I134 CarbonylContact C-O 3.55Å; R115-I134 WeakPolarHBondContact CA-O 3.03Å; R115-I134 HydrophobicContact CB-CB 4.06Å; R115-I134 HydrophobicContact CG-CB 4Å; R115-I134 HydrophobicContact CG-CG2 4Å; R115-I134 WeakPolarHBondContact CG-O 3.3Å; G116-I134 PolarHBondContact N-O 2.86Å; I132-I134 HydrophobicContact CG2-CG1 4.06Å; I134-P249 HydrophobicContact CB-CB 4.48Å; I134-P249 HydrophobicContact CG1-CB 3.92Å; I134-P249 HydrophobicContact CG1-CG 3.95Å |
| 135 | E | 90.9 | Very high | 92.4 | Very high | 98 Ų | 98 | 33.5 Ų | 33.5 | 46% | 0.458 | 17% | 0.172 | S | C | . | . | S | Bend | trans | 49.6 | 61.7 | 178.9 | -63.8 | 172.6 | 172 | 0 | 0 | 112.3 | R115 G116 K137 | R115-E135 IonicContact CZ-OE1 4Å; R115-E135 IonicContact CZ-OE2 2.8Å; R115-E135 IonicContact NE-OE1 3.82Å; R115-E135 IonicContact NE-OE2 2.79Å; R115-E135 PolarHBondContact NE-OE2 2.96Å; R115-E135 IonicContact NH2-OE1 3Å; R115-E135 PolarHBondContact NH2-OE1 2.73Å; R115-E135 IonicContact NH2-OE2 3.71Å; R115-E135 PolarHBondContact NH2-OE2 3.09Å; G116-E135 VanDerWaalsContact CA-O 3.23Å; G116-E135 WeakPolarHBondContact CA-O 3.29Å; G116-E135 PolarHBondContact N-O 3.19Å; E135-K137 WeakPolarHBondContact O-CG 3.44Å; E135-K137 PolarHBondContact O-N 3.36Å |
| 136 | P | 91.8 | Very high | 92.3 | Very high | 31 Ų | 31 | 34.8 Ų | 34.8 | 20% | 0.201 | 18% | 0.176 | C | C | . | . | trans | -64.5 | 135.6 | -174.7 | 34.8 | -40.7 | 0 | 0 | 0 | 110.2 | W133 V164 V233 | W133-P136 HydrophobicContact CD2-CB 3.31Å; W133-P136 VanDerWaalsContact CE2-CB 3.44Å; W133-P136 HydrophobicContact CE3-CB 3.55Å; W133-P136 HydrophobicContact CG-CB 3.79Å; W133-P136 HydrophobicContact CH2-CB 4.14Å; W133-P136 HydrophobicContact CZ2-CB 3.88Å; W133-P136 HydrophobicContact CZ3-CB 3.95Å; P136-V164 HydrophobicContact CB-CG2 4.4Å; P136-V164 HydrophobicContact CG-CG2 4.06Å; P136-V233 HydrophobicContact CB-CG2 3.48Å; P136-V233 VanDerWaalsContact CB-CG2 3.48Å; P136-V233 HydrophobicContact CG-CG2 3.93Å | ||
| 137 | K | 90 | Very high | 92 | Very high | 143 Ų | 143 | 35.7 Ų | 35.7 | 62% | 0.622 | 19% | 0.187 | S | C | * | . | trans | -128.8 | -8.2 | -171.1 | -77.6 | -176.4 | -177.8 | -175.3 | 0 | 115.9 | L117 E135 | L117-K137 HydrophobicContact CD2-CB 3.45Å; L117-K137 VanDerWaalsContact CD2-CB 3.45Å; L117-K137 HydrophobicContact CG-CB 4.22Å; E135-K137 WeakPolarHBondContact O-CG 3.44Å; E135-K137 PolarHBondContact O-N 3.36Å | ||
| 138 | Q | 90.1 | Very high | 91.8 | Very high | 58 Ų | 58 | 37.7 Ų | 37.7 | 27% | 0.271 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -148 | -166.4 | -177.2 | 63.3 | 174.1 | 38 | 0 | 0 | 110.6 | L117 Y118 W133 V233 | L117-Q138 HydrophobicContact CB-CG 4.4Å; L117-Q138 HydrophobicContact CD2-CB 3.71Å; L117-Q138 HydrophobicContact CD2-CG 3.74Å; L117-Q138 VanDerWaalsContact CD2-OE1 3.27Å; Y118-Q138 VanDerWaalsContact N-NE2 3.16Å; Y118-Q138 PolarHBondContact O-NE2 2.89Å; W133-Q138 WeakPolarHBondContact CH2-O 3.46Å; W133-Q138 HydrophobicContact CZ2-CG 4.31Å; Q138-V233 VanDerWaalsContact O-CG2 3.3Å; Q138-V233 WeakPolarHBondContact O-CG2 3.24Å |
| 139 | T | 93.1 | Very high | 91.6 | Very high | 54 Ų | 54 | 37 Ų | 37 | 33% | 0.331 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 142.6 | 165.9 | -59.7 | 0 | 0 | 0 | 0 | 110.1 | E230 L231 N232 | T139-E230 HydrophobicContact CG2-CG 3.36Å; T139-L231 CarbonylContact C-O 3.59Å; T139-L231 VanDerWaalsContact CA-O 3.32Å; T139-L231 WeakPolarHBondContact CA-O 3.45Å; T139-N232 WeakPolarHBondContact CB-OD1 3.26Å; T139-N232 WeakPolarHBondContact CG2-OD1 3.43Å; T139-N232 PolarHBondContact OG1-OD1 3.15Å |
| 140 | M | 94.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 127.9 | 173.1 | 176.1 | -167.8 | -67.3 | 0 | 0 | 109.4 | F112 C114 Y118 P122 L131 W133 V142 L231 | F112-M140 HydrophobicContact CE1-CE 4.36Å; F112-M140 HydrophobicContact CE1-SD 4.31Å; C114-M140 WeakPolarHBondContact SG-CE 3.44Å; Y118-M140 HydrophobicContact CD1-CE 4.04Å; Y118-M140 HydrophobicContact CD1-CG 4.4Å; Y118-M140 HydrophobicContact CG-CE 4.05Å; P122-M140 HydrophobicContact CG-CG 4.46Å; P122-M140 HydrophobicContact CG-SD 4.07Å; L131-M140 HydrophobicContact CD1-SD 4.05Å; W133-M140 HydrophobicContact CD2-CE 3.63Å; W133-M140 HydrophobicContact CE3-CE 4.1Å; W133-M140 HydrophobicContact CE3-SD 4.49Å; W133-M140 HydrophobicContact CG-CE 3.97Å; W133-M140 HydrophobicContact CH2-CB 3.54Å; W133-M140 HydrophobicContact CH2-CE 4.23Å; W133-M140 HydrophobicContact CZ2-CB 4.12Å; W133-M140 HydrophobicContact CZ2-CE 3.86Å; W133-M140 HydrophobicContact CZ3-CB 3.81Å; W133-M140 HydrophobicContact CZ3-CE 4.38Å; M140-V142 HydrophobicContact CG-CG2 4.12Å; M140-V142 HydrophobicContact SD-CG2 4.06Å; M140-L231 HydrophobicContact CB-CB 4.31Å; M140-L231 PolarHBondContact N-O 3.22Å; M140-L231 WeakPolarHBondContact O-CB 3.31Å; M140-L231 PolarHBondContact O-N 3.41Å; M140-L231 HydrophobicContact SD-CD1 4.12Å |
| 141 | H | 93.8 | Very high | 91.3 | Very high | 21 Ų | 21 | 42.1 Ų | 42.1 | 10% | 0.097 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 142.4 | 170.6 | -58.5 | 107.6 | 0 | 0 | 0 | 109.8 | I121 P122 F180 E182 I229 E230 | I121-H141 HydrophobicContact CG1-CB 4.3Å; P122-H141 WeakPolarHBondContact CD-O 3.4Å; H141-F180 HydrophobicContact CB-CE1 4.32Å; H141-F180 HydrophobicContact CB-CZ 4.2Å; H141-F180 AromaticContact CD2-CZ 3.69Å; H141-F180 AromaticContact CE1-CE1 3.82Å; H141-F180 AromaticContact CG-CE1 3.72Å; H141-F180 AromaticContact CG-CZ 3.63Å; H141-F180 AromaticContact ND1-CE1 3.55Å; H141-F180 AromaticContact ND1-CZ 3.91Å; H141-F180 AromaticContact NE2-CZ 3.93Å; H141-E182 IonicContact CE1-OE1 3.06Å; H141-E182 PolarHBondContact CE1-OE1 3Å; H141-I229 CarbonylContact C-O 3.6Å; H141-I229 WeakPolarHBondContact CA-O 3.04Å; H141-E230 IonicContact CD2-OE2 3.99Å; H141-E230 IonicContact NE2-OE2 3.36Å; H141-E230 PolarHBondContact NE2-OE2 2.97Å |
| 142 | V | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 131.9 | -179.4 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | P122 L124 L131 M140 F144 F228 I229 L231 | P122-V142 HydrophobicContact CB-CG1 4.43Å; P122-V142 HydrophobicContact CG-CG2 4.36Å; L124-V142 HydrophobicContact CD1-CG1 3.62Å; L124-V142 HydrophobicContact CG-CG1 3.97Å; L131-V142 HydrophobicContact CD1-CG1 4.46Å; L131-V142 HydrophobicContact CD1-CG2 3.86Å; M140-V142 HydrophobicContact CG-CG2 4.12Å; M140-V142 HydrophobicContact SD-CG2 4.06Å; V142-F144 HydrophobicContact CB-CE2 4.41Å; V142-F144 HydrophobicContact CG1-CD2 4.41Å; V142-F144 HydrophobicContact CG1-CE2 3.8Å; V142-F144 HydrophobicContact CG1-CZ 3.94Å; V142-F228 WeakPolarHBondContact O-CA 3.23Å; V142-I229 HydrophobicContact CB-CD1 4.25Å; V142-I229 HydrophobicContact CB-CG1 3.74Å; V142-I229 HydrophobicContact CG2-CG1 4.37Å; V142-I229 PolarHBondContact N-O 3.14Å; V142-I229 PolarHBondContact O-N 2.82Å; V142-L231 HydrophobicContact CG2-CD1 3.95Å; V142-L231 HydrophobicContact CG2-CG 4.33Å |
| 143 | L | 94 | Very high | 90.9 | Very high | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 133.8 | 176 | 168.1 | 60.9 | 0 | 0 | 0 | 109.8 | F103 I121 P122 H123 L124 T145 Q226 F228 | F103-L143 HydrophobicContact CD1-CB 4.48Å; F103-L143 HydrophobicContact CD1-CD2 3.85Å; F103-L143 HydrophobicContact CE1-CB 4.3Å; F103-L143 HydrophobicContact CE1-CD2 3.65Å; F103-L143 HydrophobicContact CZ-CD2 4.29Å; I121-L143 HydrophobicContact CG2-CB 4Å; P122-L143 PolarHBondContact O-N 3.33Å; H123-L143 CarbonylContact C-O 3.56Å; H123-L143 WeakPolarHBondContact CA-O 3.45Å; L124-L143 PolarHBondContact N-O 2.99Å; L143-T145 HydrophobicContact CD1-CG2 4.13Å; L143-T145 HydrophobicContact CD2-CG2 4.47Å; L143-T145 HydrophobicContact CG-CG2 4.31Å; L143-Q226 HydrophobicContact CD1-CB 4Å; L143-Q226 HydrophobicContact CD1-CG 4.17Å; L143-F228 HydrophobicContact CB-CD1 4.16Å; L143-F228 HydrophobicContact CB-CE1 3.75Å; L143-F228 HydrophobicContact CB-CE2 4.4Å; L143-F228 HydrophobicContact CB-CZ 3.88Å; L143-F228 HydrophobicContact CD1-CD2 3.73Å; L143-F228 HydrophobicContact CD1-CE1 4.37Å; L143-F228 HydrophobicContact CD1-CE2 3.47Å; L143-F228 VanDerWaalsContact CD1-CE2 3.47Å; L143-F228 HydrophobicContact CD1-CG 4.31Å; L143-F228 HydrophobicContact CD1-CZ 3.82Å; L143-F228 HydrophobicContact CD2-CE2 4.34Å; L143-F228 HydrophobicContact CD2-CZ 4Å; L143-F228 HydrophobicContact CG-CE1 4.45Å; L143-F228 HydrophobicContact CG-CE2 4.25Å; L143-F228 HydrophobicContact CG-CZ 4.08Å |
| 144 | F | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 138.8 | 167.3 | -62.2 | -89.6 | 0 | 0 | 0 | 110.6 | L124 V142 F153 L157 C227 I229 F254 L256 | L124-F144 HydrophobicContact CB-CD1 3.61Å; L124-F144 HydrophobicContact CB-CE1 3.64Å; L124-F144 HydrophobicContact CB-CG 4.49Å; L124-F144 HydrophobicContact CD1-CD1 4.31Å; L124-F144 HydrophobicContact CD1-CE1 3.48Å; L124-F144 VanDerWaalsContact CD1-CE1 3.48Å; L124-F144 HydrophobicContact CD1-CZ 3.73Å; L124-F144 HydrophobicContact CG-CE1 4.13Å; L124-F144 WeakPolarHBondContact O-CA 3.35Å; V142-F144 HydrophobicContact CB-CE2 4.41Å; V142-F144 HydrophobicContact CG1-CD2 4.41Å; V142-F144 HydrophobicContact CG1-CE2 3.8Å; V142-F144 HydrophobicContact CG1-CZ 3.94Å; F144-F153 HydrophobicContact CB-CE2 4.19Å; F144-F153 HydrophobicContact CB-CZ 4.07Å; F144-F153 WeakPolarHBondContact O-CZ 3.49Å; F144-L157 HydrophobicContact CE1-CD2 4.39Å; F144-L157 HydrophobicContact CE2-CD2 4.01Å; F144-L157 HydrophobicContact CZ-CD2 3.71Å; F144-C227 HydrophobicContact CB-CB 4.2Å; F144-C227 PolarHBondContact N-O 2.79Å; F144-C227 PolarHBondContact O-N 3.04Å; F144-I229 HydrophobicContact CE2-CD1 3.68Å; F144-I229 HydrophobicContact CE2-CG1 3.89Å; F144-I229 HydrophobicContact CZ-CD1 4.27Å; F144-F254 HydrophobicContact CD1-CD2 4.13Å; F144-F254 HydrophobicContact CD1-CE2 4.49Å; F144-F254 HydrophobicContact CD1-CG 4.39Å; F144-F254 HydrophobicContact CE1-CB 3.81Å; F144-F254 AromaticContact CE1-CD1 3.92Å; F144-F254 HydrophobicContact CE1-CD1 3.92Å; F144-F254 AromaticContact CE1-CD2 3.72Å; F144-F254 HydrophobicContact CE1-CD2 3.72Å; F144-F254 HydrophobicContact CE1-CE1 4.4Å; F144-F254 HydrophobicContact CE1-CE2 4.22Å; F144-F254 AromaticContact CE1-CG 3.55Å; F144-F254 HydrophobicContact CE1-CG 3.55Å; F144-F254 HydrophobicContact CZ-CB 4.27Å; F144-F254 HydrophobicContact CZ-CG 4.35Å; F144-L256 HydrophobicContact CB-CD2 4.23Å; F144-L256 HydrophobicContact CD1-CD2 3.91Å; F144-L256 HydrophobicContact CG-CD2 4.33Å |
| 145 | T | 92.8 | Very high | 90.5 | Very high | 18 Ų | 18 | 47.7 Ų | 47.7 | 11% | 0.11 | 25% | 0.254 | C | S | . | . | trans | -136.6 | 155.5 | 165.4 | 65.7 | 0 | 0 | 0 | 0 | 109.2 | H123 L124 C125 L143 G147 Q226 L256 | H123-T145 WeakPolarHBondContact NE2-CG2 3.45Å; H123-T145 PolarHBondContact NE2-OG1 2.96Å; L124-T145 PolarHBondContact O-N 3.1Å; C125-T145 VanDerWaalsContact CA-O 3.25Å; C125-T145 WeakPolarHBondContact CA-O 3.36Å; L143-T145 HydrophobicContact CD1-CG2 4.13Å; L143-T145 HydrophobicContact CD2-CG2 4.47Å; L143-T145 HydrophobicContact CG-CG2 4.31Å; T145-G147 PolarHBondContact O-N 2.96Å; T145-G147 PolarHBondContact OG1-O 3.22Å; T145-Q226 HydrophobicContact CG2-CG 4.2Å; T145-L256 WeakPolarHBondContact O-CD1 3.36Å | ||
| 146 | Y | 90.2 | Very high | 90.4 | Very high | 33 Ų | 33 | 44.5 Ų | 44.5 | 13% | 0.129 | 24% | 0.238 | C | C | . | . | trans | -88.3 | 84.9 | 174.1 | -160.5 | -74 | 0 | 0 | 0 | 110.3 | E127 D148 T149 F153 L256 L258 | E127-Y146 VanDerWaalsContact CD-OH 3.24Å; E127-Y146 HydrophobicContact CG-CE1 4.21Å; E127-Y146 HydrophobicContact CG-CE2 4.27Å; E127-Y146 WeakPolarHBondContact CG-OH 3.18Å; E127-Y146 PolarHBondContact OE1-OH 3.49Å; Y146-D148 PolarHBondContact O-N 2.86Å; Y146-T149 HydrophobicContact CD1-CG2 3.93Å; Y146-T149 WeakPolarHBondContact O-CB 3.03Å; Y146-T149 WeakPolarHBondContact O-CG2 3.08Å; Y146-T149 PolarHBondContact O-N 3.3Å; Y146-T149 VanDerWaalsContact O-N 3.15Å; Y146-T149 PolarHBondContact O-OG1 3.17Å; Y146-F153 HydrophobicContact CD2-CB 3.95Å; Y146-F153 HydrophobicContact CD2-CG 4.33Å; Y146-F153 HydrophobicContact CG-CB 4.42Å; Y146-L256 HydrophobicContact CD2-CB 3.6Å; Y146-L256 HydrophobicContact CE2-CB 3.95Å; Y146-L258 HydrophobicContact CD1-CD1 3.59Å; Y146-L258 HydrophobicContact CD1-CD2 3.93Å; Y146-L258 HydrophobicContact CD1-CG 3.63Å; Y146-L258 HydrophobicContact CD2-CD2 4.1Å; Y146-L258 HydrophobicContact CD2-CG 3.74Å; Y146-L258 HydrophobicContact CE1-CD1 3.32Å; Y146-L258 HydrophobicContact CE1-CD2 4.4Å; Y146-L258 HydrophobicContact CE1-CG 3.6Å; Y146-L258 HydrophobicContact CE2-CB 4.41Å; Y146-L258 HydrophobicContact CE2-CD1 4.3Å; Y146-L258 HydrophobicContact CE2-CG 3.68Å; Y146-L258 HydrophobicContact CG-CD1 4.22Å; Y146-L258 HydrophobicContact CG-CD2 3.77Å; Y146-L258 HydrophobicContact CG-CG 3.71Å | ||
| 147 | G | 85 | Confident | 90.2 | Very high | 25 Ų | 25 | 43 Ų | 43 | 26% | 0.258 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | -136.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | C125 T145 | C125-G147 PolarHBondContact O-N 3.07Å; C125-G147 VanDerWaalsContact O-N 3.13Å; T145-G147 PolarHBondContact O-N 2.96Å; T145-G147 PolarHBondContact OG1-O 3.22Å |
| 148 | D | 83.4 | Confident | 90.1 | Very high | 146 Ų | 146 | 37.3 Ų | 37.3 | 78% | 0.781 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 22 | 175.9 | -57.3 | -29.1 | 0 | 0 | 0 | 112.1 | Y146 N150 | Y146-D148 PolarHBondContact O-N 2.86Å; D148-N150 VanDerWaalsContact C-N 3.32Å; D148-N150 PolarHBondContact O-N 2.79Å |
| 149 | T | 86.5 | Confident | 89.9 | Confident | 61 Ų | 61 | 34.6 Ų | 34.6 | 37% | 0.374 | 19% | 0.192 | S | C | . | . | trans | -72.5 | -23.8 | -171.8 | 61 | 0 | 0 | 0 | 0 | 113.6 | Y146 C151 | Y146-T149 HydrophobicContact CD1-CG2 3.93Å; Y146-T149 WeakPolarHBondContact O-CB 3.03Å; Y146-T149 WeakPolarHBondContact O-CG2 3.08Å; Y146-T149 PolarHBondContact O-N 3.3Å; Y146-T149 VanDerWaalsContact O-N 3.15Å; Y146-T149 PolarHBondContact O-OG1 3.17Å; T149-C151 PolarHBondContact O-N 3.39Å; T149-C151 VanDerWaalsContact O-N 3.14Å; T149-C151 PolarHBondContact OG1-N 3.35Å | ||
| 150 | N | 86.5 | Confident | 89.5 | Confident | 131 Ų | 131 | 34.7 Ų | 34.7 | 70% | 0.701 | 19% | 0.188 | S | C | * | . | trans | 52.4 | 25.6 | -170.1 | -59.1 | -54.9 | 0 | 0 | 0 | 113.5 | D148 A225 | D148-N150 VanDerWaalsContact C-N 3.32Å; D148-N150 PolarHBondContact O-N 2.79Å; N150-A225 WeakPolarHBondContact O-CB 3.47Å | ||
| 151 | C | 90.1 | Very high | 88.9 | Confident | 28 Ų | 28 | 35.2 Ų | 35.2 | 19% | 0.189 | 19% | 0.192 | C | C | . | . | trans | -96.1 | 148.4 | 173.6 | -66.6 | 0 | 0 | 0 | 0 | 110.4 | T149 F153 A225 L258 | T149-C151 PolarHBondContact O-N 3.39Å; T149-C151 VanDerWaalsContact O-N 3.14Å; T149-C151 PolarHBondContact OG1-N 3.35Å; C151-F153 WeakPolarHBondContact O-CD1 3.24Å; C151-A225 WeakPolarHBondContact O-CA 3.38Å; C151-A225 VanDerWaalsContact O-CB 3.23Å; C151-A225 WeakPolarHBondContact O-CB 3.1Å; C151-L258 HydrophobicContact CB-CD2 3.54Å | ||
| 152 | D | 90 | Very high | 88.5 | Confident | 97 Ų | 97 | 35.3 Ų | 35.3 | 52% | 0.519 | 19% | 0.194 | S | C | . | . | trans | -65.3 | 146.7 | 164.5 | -65 | -38.7 | 0 | 0 | 0 | 109.9 | S222 N224 A225 | D152-S222 VanDerWaalsContact CA-OG 3.22Å; D152-S222 WeakPolarHBondContact CA-OG 3.44Å; D152-N224 PolarHBondContact OD1-N 2.82Å; D152-N224 VanDerWaalsContact OD1-N 3.14Å; D152-A225 PolarHBondContact OD1-N 2.9Å | ||
| 153 | F | 89.7 | Confident | 88.1 | Confident | 6 Ų | 6 | 35.3 Ų | 35.3 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | trans | -146.4 | 160.8 | -176.4 | 60.4 | -88.5 | 0 | 0 | 0 | 110.1 | F144 Y146 C151 C155 S222 A225 C227 L256 V257 L258 | F144-F153 HydrophobicContact CB-CE2 4.19Å; F144-F153 HydrophobicContact CB-CZ 4.07Å; F144-F153 WeakPolarHBondContact O-CZ 3.49Å; Y146-F153 HydrophobicContact CD2-CB 3.95Å; Y146-F153 HydrophobicContact CD2-CG 4.33Å; Y146-F153 HydrophobicContact CG-CB 4.42Å; C151-F153 WeakPolarHBondContact O-CD1 3.24Å; F153-C155 HydrophobicContact CD2-CB 4.3Å; F153-C155 HydrophobicContact CE2-CB 3.93Å; F153-S222 WeakPolarHBondContact CD1-OG 3.4Å; F153-S222 PolarHBondContact N-OG 3.4Å; F153-S222 VanDerWaalsContact O-CB 3.31Å; F153-S222 WeakPolarHBondContact O-CB 3.39Å; F153-S222 PolarHBondContact O-N 3.48Å; F153-S222 PolarHBondContact O-OG 3.36Å; F153-S222 VanDerWaalsContact O-OG 3.14Å; F153-A225 WeakPolarHBondContact CE1-O 3.45Å; F153-C227 HydrophobicContact CE2-CB 4.17Å; F153-C227 HydrophobicContact CZ-CB 4.04Å; F153-L256 HydrophobicContact CD2-CB 4.09Å; F153-L256 HydrophobicContact CD2-CD2 4.07Å; F153-L256 HydrophobicContact CD2-CG 4.46Å; F153-L256 HydrophobicContact CE2-CD1 4.28Å; F153-L256 HydrophobicContact CE2-CD2 3.79Å; F153-L256 HydrophobicContact CE2-CG 4.43Å; F153-V257 CarbonylContact C-O 3.54Å; F153-V257 WeakPolarHBondContact CA-O 3.5Å; F153-V257 WeakPolarHBondContact CB-O 3.4Å; F153-L258 HydrophobicContact CB-CD2 4.3Å | ||
| 154 | L | 89.6 | Confident | 88 | Confident | 42 Ų | 42 | 35 Ų | 35 | 22% | 0.22 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 121.4 | 171.3 | -170.8 | 57.3 | 0 | 0 | 0 | 110.3 | Y156 A219 D221 L256 V257 | L154-Y156 HydrophobicContact CB-CE2 4.21Å; L154-Y156 HydrophobicContact CD2-CE1 4.26Å; L154-Y156 HydrophobicContact CD2-CE2 3.58Å; L154-Y156 WeakPolarHBondContact CD2-OH 3.3Å; L154-Y156 HydrophobicContact CG-CD2 4.27Å; L154-Y156 HydrophobicContact CG-CE2 3.67Å; L154-A219 HydrophobicContact CD1-CB 4.03Å; L154-A219 HydrophobicContact CG-CB 4.48Å; L154-D221 WeakPolarHBondContact CD1-OD1 3.41Å; L154-L256 WeakPolarHBondContact O-CA 3.35Å; L154-V257 PolarHBondContact N-O 3.07Å; L154-V257 PolarHBondContact O-N 2.93Å |
| 155 | C | 89.4 | Confident | 87.8 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 111.3 | 178.5 | -170.8 | 0 | 0 | 0 | 0 | 110.8 | F153 A219 I220 C227 L256 | F153-C155 HydrophobicContact CD2-CB 4.3Å; F153-C155 HydrophobicContact CE2-CB 3.93Å; C155-A219 CarbonylContact O-C 3.56Å; C155-A219 WeakPolarHBondContact O-CA 3.28Å; C155-I220 HydrophobicContact CB-CB 4.38Å; C155-I220 WeakPolarHBondContact CB-O 3.35Å; C155-I220 PolarHBondContact N-O 3.33Å; C155-I220 PolarHBondContact O-N 2.89Å; C155-C227 HydrophobicContact CB-CB 4.27Å; C155-L256 HydrophobicContact CB-CD2 4.17Å |
| 156 | Y | 88.6 | Confident | 87.8 | Confident | 31 Ų | 31 | 34.4 Ų | 34.4 | 12% | 0.122 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 132.3 | 172.8 | -66.2 | -88.3 | 0 | 0 | 0 | 110.9 | L154 Y218 A219 F254 R255 V257 | L154-Y156 HydrophobicContact CB-CE2 4.21Å; L154-Y156 HydrophobicContact CD2-CE1 4.26Å; L154-Y156 HydrophobicContact CD2-CE2 3.58Å; L154-Y156 WeakPolarHBondContact CD2-OH 3.3Å; L154-Y156 HydrophobicContact CG-CD2 4.27Å; L154-Y156 HydrophobicContact CG-CE2 3.67Å; Y156-Y218 CarbonylContact C-O 3.36Å; Y156-Y218 VanDerWaalsContact CA-O 3.26Å; Y156-Y218 WeakPolarHBondContact CA-O 3.21Å; Y156-A219 HydrophobicContact CD1-CB 4.01Å; Y156-A219 HydrophobicContact CE1-CB 3.95Å; Y156-F254 CarbonylContact O-C 3.54Å; Y156-F254 WeakPolarHBondContact O-CA 3.35Å; Y156-R255 WeakPolarHBondContact CB-O 3.48Å; Y156-R255 PolarHBondContact N-O 3.16Å; Y156-R255 PolarHBondContact O-N 3.39Å; Y156-V257 HydrophobicContact CD2-CG2 3.98Å; Y156-V257 HydrophobicContact CE2-CB 4.22Å; Y156-V257 HydrophobicContact CE2-CG2 3.71Å |
| 157 | L | 88.6 | Confident | 87.8 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 131.8 | -178.8 | -62.2 | 177.3 | 0 | 0 | 0 | 111.1 | F144 I166 I190 S217 Y218 I220 I229 L252 F254 | F144-L157 HydrophobicContact CE1-CD2 4.39Å; F144-L157 HydrophobicContact CE2-CD2 4.01Å; F144-L157 HydrophobicContact CZ-CD2 3.71Å; L157-I166 HydrophobicContact CD1-CG2 4.48Å; L157-I190 HydrophobicContact CD1-CD1 4.34Å; L157-S217 CarbonylContact O-C 3.49Å; L157-S217 WeakPolarHBondContact O-CA 3.06Å; L157-Y218 PolarHBondContact N-O 3.15Å; L157-Y218 PolarHBondContact O-N 2.52Å; L157-I220 HydrophobicContact CD1-CD1 3.72Å; L157-I229 HydrophobicContact CD1-CD1 4.03Å; L157-I229 HydrophobicContact CD1-CG2 3.87Å; L157-L252 HydrophobicContact CB-CD1 4.15Å; L157-L252 HydrophobicContact CD2-CD1 4.47Å; L157-L252 HydrophobicContact CD2-CD2 4.33Å; L157-L252 HydrophobicContact CD2-CG 4.48Å; L157-F254 HydrophobicContact CD2-CB 3.83Å |
| 158 | E | 86.9 | Confident | 88.1 | Confident | 23 Ų | 23 | 33.3 Ų | 33.3 | 11% | 0.107 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 102.8 | 177.8 | -172.3 | -176.6 | -172.4 | 0 | 0 | 111.6 | S197 N253 | E158-S197 PolarHBondContact OE1-OG 3.25Å; E158-N253 HydrophobicContact CB-CB 4.32Å; E158-N253 PolarHBondContact N-O 3.06Å; E158-N253 PolarHBondContact O-N 2.8Å |
| 159 | P | 86.7 | Confident | 88.5 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 125.6 | 171.1 | 27.8 | -30.8 | 0 | 0 | 0 | 111.5 | I166 S197 Y218 F250 L252 | P159-I166 HydrophobicContact CB-CD1 4.04Å; P159-I166 HydrophobicContact CG-CD1 3.9Å; P159-S197 VanDerWaalsContact O-CB 3.28Å; P159-S197 WeakPolarHBondContact O-CB 3.46Å; P159-S197 PolarHBondContact O-N 3Å; P159-Y218 HydrophobicContact CG-CE2 4.03Å; P159-F250 HydrophobicContact CB-CE2 3.86Å; P159-F250 HydrophobicContact CB-CZ 4.12Å; P159-L252 HydrophobicContact CB-CD1 4.42Å |
| 160 | E | 84 | Confident | 88.5 | Confident | 56 Ų | 56 | 26.8 Ų | 26.8 | 26% | 0.262 | 14% | 0.139 | S | C | . | . | trans | -91.2 | -17.4 | 179.4 | -72.7 | -172.3 | -175.5 | 0 | 0 | 114.2 | A196 K251 N253 | E160-A196 VanDerWaalsContact C-CB 3.47Å; E160-A196 WeakPolarHBondContact O-CB 3.33Å; E160-K251 HydrophobicContact CB-CB 4.32Å; E160-K251 PolarHBondContact N-O 3Å; E160-K251 IonicContact OE1-NZ 2.79Å; E160-K251 PolarHBondContact OE1-NZ 2.93Å; E160-K251 WeakPolarHBondContact OE2-CD 3.4Å; E160-K251 IonicContact OE2-NZ 3.92Å; E160-K251 PolarHBondContact OE2-NZ 2.83Å; E160-N253 WeakPolarHBondContact CG-ND2 3.36Å; E160-N253 PolarHBondContact OE1-ND2 3.26Å | ||
| 161 | V | 82.7 | Confident | 88.4 | Confident | 13 Ų | 13 | 21.5 Ų | 21.5 | 8% | 0.079 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -133.6 | 136.1 | -173.1 | -174.9 | 0 | 0 | 0 | 0 | 109 | I246 R248 P249 F250 | V161-I246 HydrophobicContact CG1-CG2 4.26Å; V161-R248 HydrophobicContact CG2-CB 4.43Å; V161-P249 WeakPolarHBondContact CG2-O 3.33Å; V161-F250 WeakPolarHBondContact O-CD2 3.25Å |
| 162 | P | 84.2 | Confident | 87.9 | Confident | 22 Ų | 22 | 24.4 Ų | 24.4 | 14% | 0.143 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -68.8 | 172.3 | 175.2 | 32.5 | -36.7 | 0 | 0 | 0 | 111.4 | G193 L242 I246 | P162-G193 CarbonylContact C-O 3.5Å; P162-G193 WeakPolarHBondContact CA-O 3.39Å; P162-G193 WeakPolarHBondContact CB-O 3.25Å; P162-L242 HydrophobicContact CB-CD2 3.92Å; P162-I246 WeakPolarHBondContact O-CD1 3.26Å |
| 163 | G | 87 | Confident | 87 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 109.7 | -12.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | G193 L234 | G163-G193 PolarHBondContact N-O 3.14Å; G163-L234 WeakPolarHBondContact O-CG 3.43Å; G163-L234 PolarHBondContact O-N 3.13Å |
| 164 | V | 91.3 | Very high | 85.5 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 116.5 | 179.8 | 179.5 | 0 | 0 | 0 | 0 | 107.8 | P136 H191 G193 L231 N232 F250 | P136-V164 HydrophobicContact CB-CG2 4.4Å; P136-V164 HydrophobicContact CG-CG2 4.06Å; V164-H191 PolarHBondContact O-CD2 3.01Å; V164-H191 VanDerWaalsContact O-CD2 3.31Å; V164-G193 VanDerWaalsContact O-CA 3.24Å; V164-G193 WeakPolarHBondContact O-CA 3.28Å; V164-L231 HydrophobicContact CG1-CB 3.76Å; V164-L231 HydrophobicContact CG1-CD2 4.22Å; V164-N232 CarbonylContact C-O 3.49Å; V164-N232 VanDerWaalsContact CA-O 3.28Å; V164-N232 WeakPolarHBondContact CA-O 3.36Å; V164-F250 HydrophobicContact CB-CD1 4.22Å; V164-F250 HydrophobicContact CB-CD2 3.67Å; V164-F250 HydrophobicContact CB-CE1 4.18Å; V164-F250 HydrophobicContact CB-CE2 3.65Å; V164-F250 HydrophobicContact CB-CG 3.96Å; V164-F250 HydrophobicContact CB-CZ 3.9Å; V164-F250 HydrophobicContact CG1-CD1 4.3Å; V164-F250 HydrophobicContact CG1-CE1 4.01Å; V164-F250 HydrophobicContact CG1-CE2 4.25Å; V164-F250 HydrophobicContact CG1-CZ 3.98Å; V164-F250 HydrophobicContact CG2-CB 3.92Å; V164-F250 HydrophobicContact CG2-CD1 4.06Å; V164-F250 HydrophobicContact CG2-CD2 3.71Å; V164-F250 HydrophobicContact CG2-CE2 4.23Å; V164-F250 HydrophobicContact CG2-CG 3.62Å |
| 165 | A | 90.6 | Very high | 83.9 | Confident | 5 Ų | 5 | 37 Ų | 37 | 4% | 0.041 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 147.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | H191 L231 N232 L234 | A165-H191 CarbonylContact C-O 3.49Å; A165-H191 VanDerWaalsContact CA-O 3.24Å; A165-H191 WeakPolarHBondContact CA-O 3.21Å; A165-H191 WeakPolarHBondContact CB-O 3.41Å; A165-L231 WeakPolarHBondContact O-CA 3.49Å; A165-N232 HydrophobicContact CB-CB 4.3Å; A165-N232 PolarHBondContact N-O 3.06Å; A165-N232 PolarHBondContact O-N 2.77Å; A165-L234 HydrophobicContact CB-CD2 4.29Å |
| 166 | I | 92 | Very high | 82.3 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.3 | 176.3 | -47.8 | 173.6 | 0 | 0 | 0 | 107.4 | L157 P159 I190 H191 I229 E230 L231 L252 | L157-I166 HydrophobicContact CD1-CG2 4.48Å; P159-I166 HydrophobicContact CB-CD1 4.04Å; P159-I166 HydrophobicContact CG-CD1 3.9Å; I166-I190 HydrophobicContact CB-CD1 4.33Å; I166-I190 HydrophobicContact CB-CG1 4.01Å; I166-I190 HydrophobicContact CG2-CD1 3.79Å; I166-I190 HydrophobicContact CG2-CG1 3.96Å; I166-I190 WeakPolarHBondContact O-CG1 3.39Å; I166-I190 PolarHBondContact O-N 3Å; I166-H191 HydrophobicContact CB-CB 3.77Å; I166-H191 HydrophobicContact CD1-CB 4.09Å; I166-H191 HydrophobicContact CG1-CB 3.9Å; I166-H191 PolarHBondContact N-O 3.23Å; I166-H191 PolarHBondContact O-N 3.46Å; I166-I229 HydrophobicContact CG2-CB 4.31Å; I166-I229 HydrophobicContact CG2-CD1 4.14Å; I166-E230 WeakPolarHBondContact CA-O 3.24Å; I166-L231 HydrophobicContact CB-CD2 4.39Å; I166-L231 HydrophobicContact CG1-CD2 3.86Å; I166-L231 HydrophobicContact CG2-CD2 4.11Å; I166-L252 HydrophobicContact CD1-CD1 3.76Å |
| 167 | N | 91.7 | Very high | 80.7 | Confident | 14 Ų | 14 | 45.5 Ų | 45.5 | 8% | 0.075 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 134.4 | 171.1 | -53.4 | -38.2 | 0 | 0 | 0 | 108.8 | P187 I188 Q189 I229 E230 N232 | N167-P187 HydrophobicContact CB-CB 4.09Å; N167-I188 CarbonylContact C-O 3.57Å; N167-I188 VanDerWaalsContact CA-O 3.22Å; N167-I188 WeakPolarHBondContact CA-O 3.47Å; N167-Q189 VanDerWaalsContact OD1-CA 3.24Å; N167-Q189 WeakPolarHBondContact OD1-CA 3.25Å; N167-Q189 WeakPolarHBondContact OD1-CB 2.72Å; N167-I229 CarbonylContact O-C 3.57Å; N167-I229 VanDerWaalsContact O-CA 3.26Å; N167-I229 WeakPolarHBondContact O-CA 3.24Å; N167-I229 WeakPolarHBondContact O-CB 3.43Å; N167-E230 HydrophobicContact CB-CB 4.22Å; N167-E230 PolarHBondContact N-O 2.79Å; N167-E230 PolarHBondContact ND2-OE1 2.97Å; N167-E230 PolarHBondContact O-N 3.27Å; N167-N232 PolarHBondContact ND2-ND2 3.26Å |
| 168 | Y | 90.4 | Very high | 79.2 | Confident | 21 Ų | 21 | 52.2 Ų | 52.2 | 8% | 0.082 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 134.1 | 160.9 | 170.7 | -126.6 | 0 | 0 | 0 | 108.2 | E170 P187 I188 I220 E223 F228 | Y168-E170 HydrophobicContact CD1-CB 4.1Å; Y168-E170 HydrophobicContact CE1-CB 3.72Å; Y168-E170 HydrophobicContact CE1-CG 4.24Å; Y168-P187 CarbonylContact O-C 3.42Å; Y168-P187 WeakPolarHBondContact O-CA 3.21Å; Y168-I188 HydrophobicContact CD1-CD1 4.43Å; Y168-I188 PolarHBondContact N-O 2.82Å; Y168-I188 PolarHBondContact O-N 2.9Å; Y168-I220 HydrophobicContact CD1-CG2 4.44Å; Y168-I220 HydrophobicContact CD2-CD1 4.27Å; Y168-I220 HydrophobicContact CD2-CG2 3.61Å; Y168-I220 HydrophobicContact CE1-CG2 4.5Å; Y168-I220 HydrophobicContact CE2-CG2 3.7Å; Y168-I220 HydrophobicContact CG-CD1 4.48Å; Y168-I220 HydrophobicContact CG-CG2 4.01Å; Y168-E223 VanDerWaalsContact OH-CD 3.31Å; Y168-E223 PolarHBondContact OH-OE1 2.87Å; Y168-F228 WeakPolarHBondContact CD2-O 2.93Å |
| 169 | L | 91.9 | Very high | 78.3 | Confident | 6 Ų | 6 | 57.2 Ų | 57.2 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 93 | 173.4 | -68.4 | -172.3 | 0 | 0 | 0 | 108.5 | F180 Y185 P187 F228 E230 | L169-F180 HydrophobicContact CD1-CE2 3.67Å; L169-F180 HydrophobicContact CD1-CZ 3.68Å; L169-Y185 HydrophobicContact CB-CD1 3.83Å; L169-Y185 HydrophobicContact CB-CG 4.03Å; L169-Y185 WeakPolarHBondContact O-CD1 3.26Å; L169-P187 HydrophobicContact CD2-CB 3.95Å; L169-F228 HydrophobicContact CB-CB 3.88Å; L169-F228 HydrophobicContact CD1-CB 4.33Å; L169-F228 PolarHBondContact N-O 3.14Å; L169-E230 HydrophobicContact CD1-CB 4.21Å; L169-E230 HydrophobicContact CD2-CB 3.91Å; L169-E230 HydrophobicContact CG-CB 4.01Å |
| 170 | E | 87.2 | Confident | 77.8 | Confident | 63 Ų | 63 | 59 Ų | 59 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 125 | 176.3 | -179.1 | -178 | -111.4 | 0 | 0 | 109.1 | Y168 N172 Y185 R186 I188 | Y168-E170 HydrophobicContact CD1-CB 4.1Å; Y168-E170 HydrophobicContact CE1-CB 3.72Å; Y168-E170 HydrophobicContact CE1-CG 4.24Å; E170-N172 PolarHBondContact O-N 2.98Å; E170-Y185 CarbonylContact O-C 3.51Å; E170-Y185 VanDerWaalsContact O-CA 3.31Å; E170-Y185 WeakPolarHBondContact O-CA 3.37Å; E170-R186 HydrophobicContact CB-CB 4.5Å; E170-R186 PolarHBondContact N-O 3.06Å; E170-R186 PolarHBondContact O-N 2.87Å; E170-R186 IonicContact OE2-NH1 3.19Å; E170-I188 HydrophobicContact CB-CD1 3.83Å; E170-I188 HydrophobicContact CB-CG1 4.34Å; E170-I188 HydrophobicContact CG-CD1 4.32Å |
| 171 | P | 84.2 | Confident | 77.6 | Confident | 21 Ų | 21 | 59.5 Ų | 59.5 | 14% | 0.136 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 126 | 178.3 | 27.9 | -32.7 | 0 | 0 | 0 | 110.4 | R173 F177 Y185 E223 | P171-R173 PolarHBondContact O-N 2.88Å; P171-F177 HydrophobicContact CB-CE2 4.26Å; P171-Y185 HydrophobicContact CB-CD1 4.28Å; P171-Y185 HydrophobicContact CB-CE1 4.17Å; P171-E223 HydrophobicContact CG-CB 4.44Å; P171-E223 WeakPolarHBondContact CG-OE2 3.33Å |
| 172 | N | 80.1 | Confident | 77.3 | Confident | 88 Ų | 88 | 65 Ų | 65 | 47% | 0.471 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -64.9 | -19 | 175.9 | -72.5 | -40.8 | 0 | 0 | 0 | 112.4 | E170 N183 D184 Y185 | E170-N172 PolarHBondContact O-N 2.98Å; N172-N183 PolarHBondContact ND2-O 2.94Å; N172-N183 VanDerWaalsContact ND2-O 3.08Å; N172-D184 WeakPolarHBondContact CB-O 3.31Å; N172-D184 PolarHBondContact N-O 3.18Å; N172-Y185 PolarHBondContact ND2-N 2.94Å; N172-Y185 PolarHBondContact ND2-O 2.81Å |
| 173 | R | 69.7 | Low | 77.2 | Confident | 147 Ų | 147 | 70.2 Ų | 70.2 | 56% | 0.555 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -145.5 | 142.5 | -176.4 | -64.4 | 179.6 | 174.8 | 164.6 | -5.1 | 110.6 | P171 K175 | P171-R173 PolarHBondContact O-N 2.88Å; R173-K175 VanDerWaalsContact C-N 3.31Å; R173-K175 HydrophobicContact CB-CG 4.26Å; R173-K175 PolarHBondContact O-N 3.22Å |
| 174 | I | 58.8 | Low | 77.1 | Confident | 150 Ų | 150 | 71.7 Ų | 71.7 | 77% | 0.769 | 34% | 0.337 | S | S | * | . | trans | -71.9 | 86.5 | 166.6 | -50 | 169.3 | 0 | 0 | 0 | 107.6 | ||||
| 175 | K | 56.9 | Low | 76.9 | Confident | 112 Ų | 112 | 72.4 Ų | 72.4 | 49% | 0.487 | 34% | 0.34 | S | S | . | . | trans | -131 | 143 | 170.6 | -71.8 | -171.7 | 177.2 | -172.2 | 0 | 109.1 | R173 F177 | R173-K175 VanDerWaalsContact C-N 3.31Å; R173-K175 HydrophobicContact CB-CG 4.26Å; R173-K175 PolarHBondContact O-N 3.22Å; K175-F177 HydrophobicContact CB-CD1 4.43Å; K175-F177 HydrophobicContact CB-CE1 4.01Å; K175-F177 HydrophobicContact CB-CE2 4.26Å; K175-F177 HydrophobicContact CB-CZ 3.92Å; K175-F177 WeakPolarHBondContact O-CD2 3.22Å; K175-F177 VanDerWaalsContact O-CE2 3.28Å; K175-F177 WeakPolarHBondContact O-CE2 2.93Å; K175-F177 PolarHBondContact O-N 2.9Å | ||
| 176 | H | 53.9 | Low | 76.7 | Confident | 173 Ų | 173 | 79.1 Ų | 79.1 | 80% | 0.801 | 36% | 0.364 | S | S | * | . | trans | -68.5 | 108.7 | 161 | -72.5 | -70.4 | 0 | 0 | 0 | 107.8 | ||||
| 177 | F | 55 | Low | 76.6 | Confident | 37 Ų | 37 | 82.6 Ų | 82.6 | 16% | 0.162 | 39% | 0.387 | C | S | . | . | trans | -86.9 | 119.7 | 177.9 | -62.1 | -77.4 | 0 | 0 | 0 | 109.3 | P171 K175 D184 | P171-F177 HydrophobicContact CB-CE2 4.26Å; K175-F177 HydrophobicContact CB-CD1 4.43Å; K175-F177 HydrophobicContact CB-CE1 4.01Å; K175-F177 HydrophobicContact CB-CE2 4.26Å; K175-F177 HydrophobicContact CB-CZ 3.92Å; K175-F177 WeakPolarHBondContact O-CD2 3.22Å; K175-F177 VanDerWaalsContact O-CE2 3.28Å; K175-F177 WeakPolarHBondContact O-CE2 2.93Å; K175-F177 PolarHBondContact O-N 2.9Å; F177-D184 HydrophobicContact CD1-CB 4.39Å; F177-D184 HydrophobicContact CE1-CB 3.55Å; F177-D184 HydrophobicContact CZ-CB 3.83Å | ||
| 178 | Q | 58 | Low | 76.5 | Confident | 143 Ų | 143 | 84.9 Ų | 84.9 | 67% | 0.668 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -77.2 | -27.4 | 167.3 | -73.5 | 177.3 | -17.6 | 0 | 0 | 111.4 | ||
| 179 | Y | 67.7 | Low | 76.3 | Confident | 128 Ų | 128 | 89.5 Ų | 89.5 | 50% | 0.502 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -135.9 | 141.3 | -177.2 | -56 | -77.6 | 0 | 0 | 0 | 110 | ||
| 180 | F | 76.8 | Confident | 76 | Confident | 39 Ų | 39 | 91.4 Ų | 91.4 | 17% | 0.171 | 43% | 0.43 | C | S | . | . | trans | -72.7 | 130.8 | 173.1 | 179.1 | -100.1 | 0 | 0 | 0 | 110.6 | I121 H141 L169 E182 Y185 F228 | I121-F180 HydrophobicContact CD1-CB 3.33Å; I121-F180 HydrophobicContact CD1-CD1 3.66Å; I121-F180 HydrophobicContact CD1-CD2 4.24Å; I121-F180 HydrophobicContact CD1-CG 3.48Å; I121-F180 VanDerWaalsContact CD1-CG 3.48Å; H141-F180 HydrophobicContact CB-CE1 4.32Å; H141-F180 HydrophobicContact CB-CZ 4.2Å; H141-F180 AromaticContact CD2-CZ 3.69Å; H141-F180 AromaticContact CE1-CE1 3.82Å; H141-F180 AromaticContact CG-CE1 3.72Å; H141-F180 AromaticContact CG-CZ 3.63Å; H141-F180 AromaticContact ND1-CE1 3.55Å; H141-F180 AromaticContact ND1-CZ 3.91Å; H141-F180 AromaticContact NE2-CZ 3.93Å; L169-F180 HydrophobicContact CD1-CE2 3.67Å; L169-F180 HydrophobicContact CD1-CZ 3.68Å; F180-E182 HydrophobicContact CE1-CG 3.64Å; F180-E182 HydrophobicContact CZ-CG 4.12Å; F180-Y185 AromaticContact CD2-CD2 4Å; F180-Y185 HydrophobicContact CD2-CD2 4Å; F180-Y185 AromaticContact CD2-CE2 3.44Å; F180-Y185 HydrophobicContact CD2-CE2 3.44Å; F180-Y185 VanDerWaalsContact CD2-CE2 3.44Å; F180-Y185 AromaticContact CE2-CD2 3.53Å; F180-Y185 HydrophobicContact CE2-CD2 3.53Å; F180-Y185 AromaticContact CE2-CE2 3.46Å; F180-Y185 HydrophobicContact CE2-CE2 3.46Å; F180-Y185 VanDerWaalsContact CE2-CE2 3.46Å; F180-Y185 HydrophobicContact CE2-CG 4.3Å; F180-Y185 HydrophobicContact CG-CE2 4.47Å; F180-Y185 HydrophobicContact CZ-CD2 4.26Å; F180-F228 HydrophobicContact CB-CE1 4.42Å; F180-F228 AromaticContact CD2-CD1 3.77Å; F180-F228 HydrophobicContact CD2-CD1 3.77Å; F180-F228 AromaticContact CD2-CE1 3.43Å; F180-F228 HydrophobicContact CD2-CE1 3.43Å; F180-F228 VanDerWaalsContact CD2-CE1 3.43Å; F180-F228 AromaticContact CD2-CZ 3.93Å; F180-F228 HydrophobicContact CD2-CZ 3.93Å; F180-F228 AromaticContact CE2-CD1 3.85Å; F180-F228 HydrophobicContact CE2-CD1 3.85Å; F180-F228 HydrophobicContact CE2-CE1 4Å; F180-F228 HydrophobicContact CG-CE1 4.19Å | ||
| 181 | N | 79.5 | Confident | 75.9 | Confident | 66 Ų | 66 | 88.6 Ų | 88.6 | 35% | 0.353 | 42% | 0.417 | S | S | . | . | trans | -137.2 | 119.4 | 173.3 | 172.2 | 11.2 | 0 | 0 | 0 | 108.6 | N183 D184 Y185 | N181-N183 PolarHBondContact O-N 3.44Å; N181-N183 PolarHBondContact OD1-N 3.18Å; N181-N183 PolarHBondContact OD1-ND2 2.91Å; N181-D184 WeakPolarHBondContact CB-OD2 3.36Å; N181-D184 PolarHBondContact ND2-OD2 2.97Å; N181-D184 WeakPolarHBondContact O-CB 3.39Å; N181-D184 PolarHBondContact O-N 2.86Å; N181-Y185 VanDerWaalsContact O-CD2 3.29Å; N181-Y185 WeakPolarHBondContact O-CD2 3.18Å | ||
| 182 | E | 75.9 | Confident | 76 | Confident | 128 Ų | 128 | 90 Ų | 90 | 60% | 0.598 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -54.6 | -30.1 | -176.7 | -64.9 | 178.1 | 175 | 0 | 0 | 113.3 | H141 F180 D184 Y185 | H141-E182 IonicContact CE1-OE1 3.06Å; H141-E182 PolarHBondContact CE1-OE1 3Å; F180-E182 HydrophobicContact CE1-CG 3.64Å; F180-E182 HydrophobicContact CZ-CG 4.12Å; E182-D184 PolarHBondContact O-N 2.78Å; E182-Y185 PolarHBondContact O-N 2.83Å |
| 183 | N | 82.7 | Confident | 76.3 | Confident | 131 Ų | 131 | 85.8 Ų | 85.8 | 70% | 0.701 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -71.1 | -19 | 179.6 | -60.2 | -67.9 | 0 | 0 | 0 | 113.6 | N172 N181 Y185 | N172-N183 PolarHBondContact ND2-O 2.94Å; N172-N183 VanDerWaalsContact ND2-O 3.08Å; N181-N183 PolarHBondContact O-N 3.44Å; N181-N183 PolarHBondContact OD1-N 3.18Å; N181-N183 PolarHBondContact OD1-ND2 2.91Å; N183-Y185 VanDerWaalsContact C-N 3.26Å |
| 184 | D | 84.3 | Confident | 76.9 | Confident | 32 Ų | 32 | 81.9 Ų | 81.9 | 17% | 0.171 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -84.7 | -3.5 | 178.6 | -69.9 | -52.4 | 0 | 0 | 0 | 112.4 | N172 F177 N181 E182 | N172-D184 WeakPolarHBondContact CB-O 3.31Å; N172-D184 PolarHBondContact N-O 3.18Å; F177-D184 HydrophobicContact CD1-CB 4.39Å; F177-D184 HydrophobicContact CE1-CB 3.55Å; F177-D184 HydrophobicContact CZ-CB 3.83Å; N181-D184 WeakPolarHBondContact CB-OD2 3.36Å; N181-D184 PolarHBondContact ND2-OD2 2.97Å; N181-D184 WeakPolarHBondContact O-CB 3.39Å; N181-D184 PolarHBondContact O-N 2.86Å; E182-D184 PolarHBondContact O-N 2.78Å |
| 185 | Y | 87 | Confident | 77.6 | Confident | 16 Ų | 16 | 76.1 Ų | 76.1 | 6% | 0.063 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 156.4 | -179.4 | -61.2 | -86.8 | 0 | 0 | 0 | 112.7 | L169 E170 P171 N172 F180 N181 E182 N183 F228 | L169-Y185 HydrophobicContact CB-CD1 3.83Å; L169-Y185 HydrophobicContact CB-CG 4.03Å; L169-Y185 WeakPolarHBondContact O-CD1 3.26Å; E170-Y185 CarbonylContact O-C 3.51Å; E170-Y185 VanDerWaalsContact O-CA 3.31Å; E170-Y185 WeakPolarHBondContact O-CA 3.37Å; P171-Y185 HydrophobicContact CB-CD1 4.28Å; P171-Y185 HydrophobicContact CB-CE1 4.17Å; N172-Y185 PolarHBondContact ND2-N 2.94Å; N172-Y185 PolarHBondContact ND2-O 2.81Å; F180-Y185 AromaticContact CD2-CD2 4Å; F180-Y185 HydrophobicContact CD2-CD2 4Å; F180-Y185 AromaticContact CD2-CE2 3.44Å; F180-Y185 HydrophobicContact CD2-CE2 3.44Å; F180-Y185 VanDerWaalsContact CD2-CE2 3.44Å; F180-Y185 AromaticContact CE2-CD2 3.53Å; F180-Y185 HydrophobicContact CE2-CD2 3.53Å; F180-Y185 AromaticContact CE2-CE2 3.46Å; F180-Y185 HydrophobicContact CE2-CE2 3.46Å; F180-Y185 VanDerWaalsContact CE2-CE2 3.46Å; F180-Y185 HydrophobicContact CE2-CG 4.3Å; F180-Y185 HydrophobicContact CG-CE2 4.47Å; F180-Y185 HydrophobicContact CZ-CD2 4.26Å; N181-Y185 VanDerWaalsContact O-CD2 3.29Å; N181-Y185 WeakPolarHBondContact O-CD2 3.18Å; E182-Y185 PolarHBondContact O-N 2.83Å; N183-Y185 VanDerWaalsContact C-N 3.26Å; Y185-F228 HydrophobicContact CE1-CB 4.33Å; Y185-F228 HydrophobicContact CE1-CD2 4.08Å; Y185-F228 HydrophobicContact CE1-CG 4.34Å; Y185-F228 WeakPolarHBondContact OH-CE2 3.46Å |
| 186 | R | 87.9 | Confident | 78.1 | Confident | 147 Ų | 147 | 71 Ų | 71 | 56% | 0.555 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 120.5 | 170.1 | -179.9 | -176 | 178.7 | -167.7 | -0.1 | 109.2 | E170 I188 | E170-R186 HydrophobicContact CB-CB 4.5Å; E170-R186 PolarHBondContact N-O 3.06Å; E170-R186 PolarHBondContact O-N 2.87Å; E170-R186 IonicContact OE2-NH1 3.19Å; R186-I188 PolarHBondContact O-N 2.76Å |
| 187 | P | 90 | Very high | 78.2 | Confident | 73 Ų | 73 | 63.2 Ų | 63.2 | 47% | 0.474 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 125.5 | 175.9 | 28.3 | -32.7 | 0 | 0 | 0 | 111 | N167 Y168 L169 | N167-P187 HydrophobicContact CB-CB 4.09Å; Y168-P187 CarbonylContact O-C 3.42Å; Y168-P187 WeakPolarHBondContact O-CA 3.21Å; L169-P187 HydrophobicContact CD2-CB 3.95Å |
| 188 | I | 87.9 | Confident | 77.9 | Confident | 62 Ų | 62 | 65.1 Ų | 65.1 | 32% | 0.318 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 114.6 | 169.7 | -58.7 | 178.7 | 0 | 0 | 0 | 107.7 | N167 Y168 E170 R186 I190 | N167-I188 CarbonylContact C-O 3.57Å; N167-I188 VanDerWaalsContact CA-O 3.22Å; N167-I188 WeakPolarHBondContact CA-O 3.47Å; Y168-I188 HydrophobicContact CD1-CD1 4.43Å; Y168-I188 PolarHBondContact N-O 2.82Å; Y168-I188 PolarHBondContact O-N 2.9Å; E170-I188 HydrophobicContact CB-CD1 3.83Å; E170-I188 HydrophobicContact CB-CG1 4.34Å; E170-I188 HydrophobicContact CG-CD1 4.32Å; R186-I188 PolarHBondContact O-N 2.76Å; I188-I190 PolarHBondContact O-N 3.16Å |
| 189 | Q | 86.3 | Confident | 77.5 | Confident | 117 Ų | 117 | 63.9 Ų | 63.9 | 55% | 0.547 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 120.9 | 178.8 | -177.1 | 169.6 | 77.5 | 0 | 0 | 111 | N167 | N167-Q189 VanDerWaalsContact OD1-CA 3.24Å; N167-Q189 WeakPolarHBondContact OD1-CA 3.25Å; N167-Q189 WeakPolarHBondContact OD1-CB 2.72Å |
| 190 | I | 86 | Confident | 76.4 | Confident | 46 Ų | 46 | 59.4 Ų | 59.4 | 24% | 0.236 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | -29.8 | 174.3 | 61 | 176.2 | 0 | 0 | 0 | 111.3 | L157 I166 I188 Y218 I220 | L157-I190 HydrophobicContact CD1-CD1 4.34Å; I166-I190 HydrophobicContact CB-CD1 4.33Å; I166-I190 HydrophobicContact CB-CG1 4.01Å; I166-I190 HydrophobicContact CG2-CD1 3.79Å; I166-I190 HydrophobicContact CG2-CG1 3.96Å; I166-I190 WeakPolarHBondContact O-CG1 3.39Å; I166-I190 PolarHBondContact O-N 3Å; I188-I190 PolarHBondContact O-N 3.16Å; I190-Y218 HydrophobicContact CB-CD1 4.21Å; I190-Y218 HydrophobicContact CD1-CG 4.36Å; I190-Y218 WeakPolarHBondContact O-CE1 3.42Å; I190-I220 HydrophobicContact CD1-CD1 3.63Å; I190-I220 HydrophobicContact CD1-CG1 4.24Å |
| 191 | H | 86.4 | Confident | 74.7 | Confident | 5 Ų | 5 | 58.7 Ų | 58.7 | 2% | 0.023 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 125.3 | 179 | -175.9 | 70.3 | 0 | 0 | 0 | 110.6 | V164 A165 I166 G193 A195 Y218 | V164-H191 PolarHBondContact O-CD2 3.01Å; V164-H191 VanDerWaalsContact O-CD2 3.31Å; A165-H191 CarbonylContact C-O 3.49Å; A165-H191 VanDerWaalsContact CA-O 3.24Å; A165-H191 WeakPolarHBondContact CA-O 3.21Å; A165-H191 WeakPolarHBondContact CB-O 3.41Å; I166-H191 HydrophobicContact CB-CB 3.77Å; I166-H191 HydrophobicContact CD1-CB 4.09Å; I166-H191 HydrophobicContact CG1-CB 3.9Å; I166-H191 PolarHBondContact N-O 3.23Å; I166-H191 PolarHBondContact O-N 3.46Å; H191-G193 VanDerWaalsContact C-N 3.29Å; H191-G193 PolarHBondContact CD2-N 2.81Å; H191-G193 WeakPolarHBondContact NE2-CA 3.46Å; H191-G193 PolarHBondContact NE2-N 2.76Å; H191-G193 PolarHBondContact O-N 3.44Å; H191-A195 PolarHBondContact CE1-O 3.24Å; H191-A195 PolarHBondContact NE2-O 3.04Å; H191-Y218 HydrophobicContact CB-CD2 4.44Å; H191-Y218 HydrophobicContact CB-CE2 3.72Å; H191-Y218 AromaticContact CG-CE2 3.84Å; H191-Y218 AromaticContact CG-CZ 4Å; H191-Y218 AromaticContact ND1-CE2 3.47Å; H191-Y218 WeakPolarHBondContact ND1-CE2 3.28Å; H191-Y218 AromaticContact ND1-CZ 3.47Å; H191-Y218 PolarHBondContact ND1-OH 2.84Å |
| 192 | S | 85 | Confident | 72.6 | Confident | 49 Ų | 49 | 62.3 Ų | 62.3 | 34% | 0.343 | 34% | 0.339 | S | S | . | . | trans | -75.4 | -14.8 | -177.9 | 66 | 0 | 0 | 0 | 0 | 114.1 | L194 L234 | S192-L194 PolarHBondContact O-N 2.8Å; S192-L194 PolarHBondContact OG-N 2.87Å; S192-L234 WeakPolarHBondContact O-CD2 3.11Å | ||
| 193 | G | 85.9 | Confident | 70.5 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | S | Bend | trans | 75.8 | -8.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | P162 G163 V164 H191 A195 L234 | P162-G193 CarbonylContact C-O 3.5Å; P162-G193 WeakPolarHBondContact CA-O 3.39Å; P162-G193 WeakPolarHBondContact CB-O 3.25Å; G163-G193 PolarHBondContact N-O 3.14Å; V164-G193 VanDerWaalsContact O-CA 3.24Å; V164-G193 WeakPolarHBondContact O-CA 3.28Å; H191-G193 VanDerWaalsContact C-N 3.29Å; H191-G193 PolarHBondContact CD2-N 2.81Å; H191-G193 WeakPolarHBondContact NE2-CA 3.46Å; H191-G193 PolarHBondContact NE2-N 2.76Å; H191-G193 PolarHBondContact O-N 3.44Å; G193-A195 VanDerWaalsContact C-N 3.28Å; G193-A195 PolarHBondContact O-N 2.78Å; G193-L234 WeakPolarHBondContact O-CD1 3.22Å |
| 194 | L | 82.1 | Confident | 68.1 | Low | 65 Ų | 65 | 59.2 Ų | 59.2 | 34% | 0.34 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -76.3 | -13.6 | -175.8 | -69.1 | 172.8 | 0 | 0 | 0 | 113.9 | S192 L234 Q238 L242 | S192-L194 PolarHBondContact O-N 2.8Å; S192-L194 PolarHBondContact OG-N 2.87Å; L194-L234 HydrophobicContact CD2-CD1 3.81Å; L194-L234 HydrophobicContact CG-CD1 4.38Å; L194-Q238 HydrophobicContact CD2-CB 4.32Å; L194-L242 HydrophobicContact CD2-CD2 4.21Å; L194-L242 WeakPolarHBondContact O-CD2 3.36Å |
| 195 | A | 74.1 | Confident | 66.2 | Low | 30 Ų | 30 | 61.5 Ų | 61.5 | 25% | 0.248 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -149.4 | 149.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109 | H191 G193 S201 | H191-A195 PolarHBondContact CE1-O 3.24Å; H191-A195 PolarHBondContact NE2-O 3.04Å; G193-A195 VanDerWaalsContact C-N 3.28Å; G193-A195 PolarHBondContact O-N 2.78Å; A195-S201 WeakPolarHBondContact CB-OG 3.24Å |
| 196 | A | 66.8 | Low | 63.9 | Low | 5 Ų | 5 | 71.4 Ų | 71.4 | 4% | 0.041 | 39% | 0.387 | C | S | . | . | trans | -76.1 | -169.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E160 G200 S201 | E160-A196 VanDerWaalsContact C-CB 3.47Å; E160-A196 WeakPolarHBondContact O-CB 3.33Å; A196-G200 WeakPolarHBondContact CB-O 3.37Å; A196-G200 PolarHBondContact N-O 2.8Å; A196-S201 VanDerWaalsContact C-CB 3.46Å; A196-S201 WeakPolarHBondContact O-CB 3.46Å; A196-S201 PolarHBondContact O-OG 2.77Å | ||
| 197 | S | 56.7 | Low | 61.5 | Low | 8 Ų | 8 | 69.2 Ų | 69.2 | 6% | 0.056 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -70.1 | -172.9 | 164.7 | 84.2 | 0 | 0 | 0 | 0 | 111.5 | E158 P159 N199 G200 S201 | E158-S197 PolarHBondContact OE1-OG 3.25Å; P159-S197 VanDerWaalsContact O-CB 3.28Å; P159-S197 WeakPolarHBondContact O-CB 3.46Å; P159-S197 PolarHBondContact O-N 3Å; S197-N199 PolarHBondContact O-N 3.15Å; S197-G200 CarbonylContact O-C 3.6Å; S197-G200 PolarHBondContact O-N 3.24Å; S197-S201 WeakPolarHBondContact O-CB 3.48Å; S197-S201 PolarHBondContact O-N 2.88Å |
| 198 | I | 49.4 | Very low | 58.9 | Low | 78 Ų | 78 | 66.8 Ų | 66.8 | 40% | 0.4 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -21.6 | -176.7 | -123.6 | 148.6 | 0 | 0 | 0 | 113.7 | G200 R205 F216 | I198-G200 PolarHBondContact O-N 3.4Å; I198-R205 VanDerWaalsContact CB-NH1 3.27Å; I198-F216 HydrophobicContact CB-CD2 4.17Å; I198-F216 HydrophobicContact CD1-CD1 3.93Å; I198-F216 HydrophobicContact CD1-CD2 3.21Å; I198-F216 HydrophobicContact CD1-CE1 3.71Å; I198-F216 HydrophobicContact CD1-CE2 3Å; I198-F216 HydrophobicContact CD1-CG 3.7Å; I198-F216 HydrophobicContact CD1-CZ 3.26Å; I198-F216 HydrophobicContact CG1-CD2 4.29Å; I198-F216 HydrophobicContact CG1-CE2 4.36Å |
| 199 | N | 48.7 | Very low | 56.5 | Low | 116 Ų | 116 | 72.6 Ų | 72.6 | 62% | 0.62 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -2.1 | 171.8 | -65.5 | -32.5 | 0 | 0 | 0 | 113.2 | S197 | S197-N199 PolarHBondContact O-N 3.15Š|
| 200 | G | 45.7 | Very low | 54.1 | Low | 34 Ų | 34 | 70.1 Ų | 70.1 | 35% | 0.351 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -166.2 | 32.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | A196 S197 I198 | A196-G200 WeakPolarHBondContact CB-O 3.37Å; A196-G200 PolarHBondContact N-O 2.8Å; S197-G200 CarbonylContact O-C 3.6Å; S197-G200 PolarHBondContact O-N 3.24Å; I198-G200 PolarHBondContact O-N 3.4Å |
| 201 | S | 39.6 | Very low | 51.9 | Low | 24 Ų | 24 | 68.9 Ų | 68.9 | 17% | 0.168 | 41% | 0.408 | C | S | . | . | trans | -149.2 | 151.8 | -178.1 | 158.6 | 0 | 0 | 0 | 0 | 115.3 | A195 A196 S197 G203 R205 | A195-S201 WeakPolarHBondContact CB-OG 3.24Å; A196-S201 VanDerWaalsContact C-CB 3.46Å; A196-S201 WeakPolarHBondContact O-CB 3.46Å; A196-S201 PolarHBondContact O-OG 2.77Å; S197-S201 WeakPolarHBondContact O-CB 3.48Å; S197-S201 PolarHBondContact O-N 2.88Å; S201-G203 PolarHBondContact OG-N 3.41Å; S201-R205 VanDerWaalsContact C-NH2 3.26Å; S201-R205 PolarHBondContact O-NH2 3.25Å; S201-R205 PolarHBondContact OG-NH2 2.91Å | ||
| 202 | T | 37.1 | Very low | 49.9 | Very low | 143 Ų | 143 | 77 Ų | 77 | 88% | 0.877 | 45% | 0.451 | S | S | * | . | trans | -120.1 | 18.1 | 176.6 | 48.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 203 | G | 31 | Very low | 48.4 | Very low | 39 Ų | 39 | 80.9 Ų | 80.9 | 40% | 0.402 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -93.6 | 159.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | S201 R205 | S201-G203 PolarHBondContact OG-N 3.41Å; G203-R205 WeakPolarHBondContact O-CG 3.47Å; G203-R205 PolarHBondContact O-NE 2.96Å; G203-R205 VanDerWaalsContact O-NE 3.14Å |
| 204 | T | 31.4 | Very low | 46.5 | Very low | 155 Ų | 155 | 82.5 Ų | 82.5 | 95% | 0.951 | 47% | 0.47 | S | S | * | . | trans | -66.8 | 136.2 | -179.9 | -45.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 205 | R | 45.6 | Very low | 45.1 | Very low | 79 Ų | 79 | 82.4 Ų | 82.4 | 30% | 0.298 | 47% | 0.473 | S | S | . | . | trans | -137.3 | 148.1 | -162 | -45.5 | -172.8 | -176.6 | -178.5 | -1 | 114.2 | I198 S201 G203 | I198-R205 VanDerWaalsContact CB-NH1 3.27Å; S201-R205 VanDerWaalsContact C-NH2 3.26Å; S201-R205 PolarHBondContact O-NH2 3.25Å; S201-R205 PolarHBondContact OG-NH2 2.91Å; G203-R205 WeakPolarHBondContact O-CG 3.47Å; G203-R205 PolarHBondContact O-NE 2.96Å; G203-R205 VanDerWaalsContact O-NE 3.14Å | ||
| 206 | Y | 37.9 | Very low | 44.2 | Very low | 224 Ų | 224 | 84 Ų | 84 | 88% | 0.878 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -85.4 | 122.8 | 168.5 | -59 | -81.4 | 0 | 0 | 0 | 109.1 | C208 | Y206-C208 PolarHBondContact O-N 2.73Š|
| 207 | S | 37 | Very low | 44.3 | Very low | 102 Ų | 102 | 84.3 Ų | 84.3 | 71% | 0.713 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 119.5 | 173.5 | 52.1 | 0 | 0 | 0 | 0 | 109.7 | ||
| 208 | C | 36.2 | Very low | 45.5 | Very low | 22 Ų | 22 | 87.6 Ų | 87.6 | 15% | 0.149 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 145.1 | 162.4 | 63.1 | 0 | 0 | 0 | 0 | 109.1 | Y206 G210 T215 S217 | Y206-C208 PolarHBondContact O-N 2.73Å; C208-G210 PolarHBondContact O-N 2.7Å; C208-T215 PolarHBondContact SG-O 3.3Å; C208-T215 VanDerWaalsContact SG-O 3.36Å; C208-S217 VanDerWaalsContact CB-O 3.31Å; C208-S217 WeakPolarHBondContact CB-O 3.5Å; C208-S217 PolarHBondContact SG-O 3.3Å |
| 209 | M | 37.9 | Very low | 47.2 | Very low | 184 Ų | 184 | 86.1 Ų | 86.1 | 91% | 0.906 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -53.6 | 135.8 | 169.6 | -79.7 | -106 | -141.5 | 0 | 0 | 109.2 | S211 | M209-S211 PolarHBondContact O-N 3.07Š|
| 210 | G | 35.4 | Very low | 49 | Very low | 65 Ų | 65 | 81.2 Ų | 81.2 | 67% | 0.67 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 118.8 | -161 | 0 | 0 | 0 | 0 | 0 | 114.6 | C208 | C208-G210 PolarHBondContact O-N 2.7Š|
| 211 | S | 40.6 | Very low | 51 | Low | 19 Ų | 19 | 85.3 Ų | 85.3 | 13% | 0.133 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -93.4 | 149.9 | 154.4 | 84.8 | 0 | 0 | 0 | 0 | 109 | M209 F213 N214 | M209-S211 PolarHBondContact O-N 3.07Å; S211-F213 PolarHBondContact O-N 3.34Å; S211-F213 PolarHBondContact OG-N 2.82Å; S211-N214 PolarHBondContact OG-N 3.18Å; S211-N214 PolarHBondContact OG-O 2.06Å |
| 212 | L | 44.8 | Very low | 53.3 | Low | 176 Ų | 176 | 84.5 Ų | 84.5 | 92% | 0.921 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -59.4 | -10.5 | 169.8 | -79.4 | 161.1 | 0 | 0 | 0 | 113.5 | ||
| 213 | F | 51.6 | Low | 55.6 | Low | 130 Ų | 130 | 81.3 Ų | 81.3 | 57% | 0.57 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -92 | -47.4 | -174.3 | -78.4 | -83.4 | 0 | 0 | 0 | 112.4 | S211 R255 | S211-F213 PolarHBondContact O-N 3.34Å; S211-F213 PolarHBondContact OG-N 2.82Å; F213-R255 VanDerWaalsContact CD2-NH1 3.25Å |
| 214 | N | 48 | Very low | 58.3 | Low | 34 Ų | 34 | 82.6 Ų | 82.6 | 18% | 0.182 | 44% | 0.442 | C | S | . | . | trans | -172.8 | 145.2 | 172 | -143.5 | -15.9 | 0 | 0 | 0 | 109.6 | S211 F216 | S211-N214 PolarHBondContact OG-N 3.18Å; S211-N214 PolarHBondContact OG-O 2.06Å; N214-F216 PolarHBondContact O-N 3.17Å; N214-F216 WeakPolarHBondContact OD1-CD2 3.18Å | ||
| 215 | T | 51.4 | Low | 61.1 | Low | 64 Ų | 64 | 75.6 Ų | 75.6 | 39% | 0.393 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 8.3 | 173.4 | 39.5 | 0 | 0 | 0 | 0 | 113.8 | C208 | C208-T215 PolarHBondContact SG-O 3.3Å; C208-T215 VanDerWaalsContact SG-O 3.36Å |
| 216 | F | 55.6 | Low | 63.2 | Low | 64 Ų | 64 | 74.4 Ų | 74.4 | 28% | 0.281 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.5 | 20.7 | -166.7 | -50.3 | -73.4 | 0 | 0 | 0 | 113.6 | I198 N214 | I198-F216 HydrophobicContact CB-CD2 4.17Å; I198-F216 HydrophobicContact CD1-CD1 3.93Å; I198-F216 HydrophobicContact CD1-CD2 3.21Å; I198-F216 HydrophobicContact CD1-CE1 3.71Å; I198-F216 HydrophobicContact CD1-CE2 3Å; I198-F216 HydrophobicContact CD1-CG 3.7Å; I198-F216 HydrophobicContact CD1-CZ 3.26Å; I198-F216 HydrophobicContact CG1-CD2 4.29Å; I198-F216 HydrophobicContact CG1-CE2 4.36Å; N214-F216 PolarHBondContact O-N 3.17Å; N214-F216 WeakPolarHBondContact OD1-CD2 3.18Å |
| 217 | S | 68.5 | Low | 65.8 | Low | 10 Ų | 10 | 63.8 Ų | 63.8 | 7% | 0.07 | 36% | 0.356 | C | S | . | . | trans | -82.9 | 144.3 | 168.3 | -55.3 | 0 | 0 | 0 | 0 | 109.6 | L157 C208 | L157-S217 CarbonylContact O-C 3.49Å; L157-S217 WeakPolarHBondContact O-CA 3.06Å; C208-S217 VanDerWaalsContact CB-O 3.31Å; C208-S217 WeakPolarHBondContact CB-O 3.5Å; C208-S217 PolarHBondContact SG-O 3.3Å | ||
| 218 | Y | 81.6 | Confident | 68.5 | Low | 77 Ų | 77 | 59.3 Ų | 59.3 | 30% | 0.302 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 135.8 | 163.4 | -59.3 | -76.2 | 0 | 0 | 0 | 107.9 | Y156 L157 P159 I190 H191 | Y156-Y218 CarbonylContact C-O 3.36Å; Y156-Y218 VanDerWaalsContact CA-O 3.26Å; Y156-Y218 WeakPolarHBondContact CA-O 3.21Å; L157-Y218 PolarHBondContact N-O 3.15Å; L157-Y218 PolarHBondContact O-N 2.52Å; P159-Y218 HydrophobicContact CG-CE2 4.03Å; I190-Y218 HydrophobicContact CB-CD1 4.21Å; I190-Y218 HydrophobicContact CD1-CG 4.36Å; I190-Y218 WeakPolarHBondContact O-CE1 3.42Å; H191-Y218 HydrophobicContact CB-CD2 4.44Å; H191-Y218 HydrophobicContact CB-CE2 3.72Å; H191-Y218 AromaticContact CG-CE2 3.84Å; H191-Y218 AromaticContact CG-CZ 4Å; H191-Y218 AromaticContact ND1-CE2 3.47Å; H191-Y218 WeakPolarHBondContact ND1-CE2 3.28Å; H191-Y218 AromaticContact ND1-CZ 3.47Å; H191-Y218 PolarHBondContact ND1-OH 2.84Å |
| 219 | A | 84.7 | Confident | 71.2 | Confident | 48 Ų | 48 | 58.3 Ų | 58.3 | 40% | 0.397 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 127.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | L154 C155 Y156 | L154-A219 HydrophobicContact CD1-CB 4.03Å; L154-A219 HydrophobicContact CG-CB 4.48Å; C155-A219 CarbonylContact O-C 3.56Å; C155-A219 WeakPolarHBondContact O-CA 3.28Å; Y156-A219 HydrophobicContact CD1-CB 4.01Å; Y156-A219 HydrophobicContact CE1-CB 3.95Å |
| 220 | I | 86.9 | Confident | 73.9 | Confident | 13 Ų | 13 | 51 Ų | 51 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 122.2 | -179 | -52.6 | 169.1 | 0 | 0 | 0 | 106.9 | C155 L157 Y168 I190 S222 I229 | C155-I220 HydrophobicContact CB-CB 4.38Å; C155-I220 WeakPolarHBondContact CB-O 3.35Å; C155-I220 PolarHBondContact N-O 3.33Å; C155-I220 PolarHBondContact O-N 2.89Å; L157-I220 HydrophobicContact CD1-CD1 3.72Å; Y168-I220 HydrophobicContact CD1-CG2 4.44Å; Y168-I220 HydrophobicContact CD2-CD1 4.27Å; Y168-I220 HydrophobicContact CD2-CG2 3.61Å; Y168-I220 HydrophobicContact CE1-CG2 4.5Å; Y168-I220 HydrophobicContact CE2-CG2 3.7Å; Y168-I220 HydrophobicContact CG-CD1 4.48Å; Y168-I220 HydrophobicContact CG-CG2 4.01Å; I190-I220 HydrophobicContact CD1-CD1 3.63Å; I190-I220 HydrophobicContact CD1-CG1 4.24Å; I220-S222 PolarHBondContact O-N 2.99Å; I220-I229 HydrophobicContact CD1-CG2 4Å |
| 221 | D | 87.1 | Confident | 76.8 | Confident | 120 Ų | 120 | 47.9 Ų | 47.9 | 64% | 0.642 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 127.2 | 167.7 | -65.4 | -60.3 | 0 | 0 | 0 | 108.5 | L154 | L154-D221 WeakPolarHBondContact CD1-OD1 3.41Å |
| 222 | S | 89.1 | Confident | 79.3 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 5% | 0.049 | 25% | 0.251 | C | S | . | . | trans | -67.5 | 150.4 | 172.2 | 74 | 0 | 0 | 0 | 0 | 110.1 | D152 F153 I220 Q226 | D152-S222 VanDerWaalsContact CA-OG 3.22Å; D152-S222 WeakPolarHBondContact CA-OG 3.44Å; F153-S222 WeakPolarHBondContact CD1-OG 3.4Å; F153-S222 PolarHBondContact N-OG 3.4Å; F153-S222 VanDerWaalsContact O-CB 3.31Å; F153-S222 WeakPolarHBondContact O-CB 3.39Å; F153-S222 PolarHBondContact O-N 3.48Å; F153-S222 PolarHBondContact O-OG 3.36Å; F153-S222 VanDerWaalsContact O-OG 3.14Å; I220-S222 PolarHBondContact O-N 2.99Å; S222-Q226 WeakPolarHBondContact CA-O 3.13Å; S222-Q226 WeakPolarHBondContact CB-O 3.21Å | ||
| 223 | E | 86.3 | Confident | 81.5 | Confident | 75 Ų | 75 | 42.6 Ų | 42.6 | 35% | 0.35 | 22% | 0.221 | S | C | . | . | B | Isolated β-bridge | trans | -117.2 | 129.4 | 172.7 | -67.8 | 177.2 | -142 | 0 | 0 | 109.3 | Y168 P171 A225 Q226 | Y168-E223 VanDerWaalsContact OH-CD 3.31Å; Y168-E223 PolarHBondContact OH-OE1 2.87Å; P171-E223 HydrophobicContact CG-CB 4.44Å; P171-E223 WeakPolarHBondContact CG-OE2 3.33Å; E223-A225 VanDerWaalsContact C-N 3.29Å; E223-A225 PolarHBondContact O-N 3.47Å; E223-Q226 PolarHBondContact N-O 2.94Å; E223-Q226 PolarHBondContact O-N 2.82Å; E223-Q226 VanDerWaalsContact O-N 3.15Å; E223-Q226 VanDerWaalsContact O-O 3.12Å |
| 224 | N | 87.1 | Confident | 83.4 | Confident | 66 Ų | 66 | 36.9 Ų | 36.9 | 35% | 0.353 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 41.5 | -176.8 | -48.6 | -66.6 | 0 | 0 | 0 | 112.7 | D152 Q226 | D152-N224 PolarHBondContact OD1-N 2.82Å; D152-N224 VanDerWaalsContact OD1-N 3.14Å; N224-Q226 PolarHBondContact O-N 3.16Å |
| 225 | A | 89.6 | Confident | 85.4 | Confident | 8 Ų | 8 | 39.2 Ų | 39.2 | 7% | 0.066 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 23 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115 | N150 C151 D152 F153 E223 | N150-A225 WeakPolarHBondContact O-CB 3.47Å; C151-A225 WeakPolarHBondContact O-CA 3.38Å; C151-A225 VanDerWaalsContact O-CB 3.23Å; C151-A225 WeakPolarHBondContact O-CB 3.1Å; D152-A225 PolarHBondContact OD1-N 2.9Å; F153-A225 WeakPolarHBondContact CE1-O 3.45Å; E223-A225 VanDerWaalsContact C-N 3.29Å; E223-A225 PolarHBondContact O-N 3.47Å |
| 226 | Q | 90.9 | Very high | 87 | Confident | 54 Ų | 54 | 45.6 Ų | 45.6 | 25% | 0.252 | 23% | 0.232 | S | C | . | . | B | Isolated β-bridge | trans | -134.2 | 143.7 | 179.2 | -64.1 | -175.3 | -7.6 | 0 | 0 | 111.5 | L143 T145 S222 E223 N224 | L143-Q226 HydrophobicContact CD1-CB 4Å; L143-Q226 HydrophobicContact CD1-CG 4.17Å; T145-Q226 HydrophobicContact CG2-CG 4.2Å; S222-Q226 WeakPolarHBondContact CA-O 3.13Å; S222-Q226 WeakPolarHBondContact CB-O 3.21Å; E223-Q226 PolarHBondContact N-O 2.94Å; E223-Q226 PolarHBondContact O-N 2.82Å; E223-Q226 VanDerWaalsContact O-N 3.15Å; E223-Q226 VanDerWaalsContact O-O 3.12Å; N224-Q226 PolarHBondContact O-N 3.16Å |
| 227 | C | 91.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 115.2 | 168.3 | 173.2 | 0 | 0 | 0 | 0 | 108.7 | F144 F153 C155 | F144-C227 HydrophobicContact CB-CB 4.2Å; F144-C227 PolarHBondContact N-O 2.79Å; F144-C227 PolarHBondContact O-N 3.04Å; F153-C227 HydrophobicContact CE2-CB 4.17Å; F153-C227 HydrophobicContact CZ-CB 4.04Å; C155-C227 HydrophobicContact CB-CB 4.27Å |
| 228 | F | 92.9 | Very high | 89.4 | Confident | 9 Ų | 9 | 52.3 Ų | 52.3 | 4% | 0.039 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 134.6 | 175.5 | -90.5 | -87.8 | 0 | 0 | 0 | 110.3 | F103 I121 V142 L143 Y168 L169 F180 Y185 | F103-F228 HydrophobicContact CE1-CE1 4.23Å; F103-F228 AromaticContact CE1-CZ 3.95Å; F103-F228 HydrophobicContact CE1-CZ 3.95Å; F103-F228 HydrophobicContact CZ-CZ 4.2Å; I121-F228 HydrophobicContact CD1-CE1 4.32Å; I121-F228 HydrophobicContact CG2-CE1 4.13Å; V142-F228 WeakPolarHBondContact O-CA 3.23Å; L143-F228 HydrophobicContact CB-CD1 4.16Å; L143-F228 HydrophobicContact CB-CE1 3.75Å; L143-F228 HydrophobicContact CB-CE2 4.4Å; L143-F228 HydrophobicContact CB-CZ 3.88Å; L143-F228 HydrophobicContact CD1-CD2 3.73Å; L143-F228 HydrophobicContact CD1-CE1 4.37Å; L143-F228 HydrophobicContact CD1-CE2 3.47Å; L143-F228 VanDerWaalsContact CD1-CE2 3.47Å; L143-F228 HydrophobicContact CD1-CG 4.31Å; L143-F228 HydrophobicContact CD1-CZ 3.82Å; L143-F228 HydrophobicContact CD2-CE2 4.34Å; L143-F228 HydrophobicContact CD2-CZ 4Å; L143-F228 HydrophobicContact CG-CE1 4.45Å; L143-F228 HydrophobicContact CG-CE2 4.25Å; L143-F228 HydrophobicContact CG-CZ 4.08Å; Y168-F228 WeakPolarHBondContact CD2-O 2.93Å; L169-F228 HydrophobicContact CB-CB 3.88Å; L169-F228 HydrophobicContact CD1-CB 4.33Å; L169-F228 PolarHBondContact N-O 3.14Å; F180-F228 HydrophobicContact CB-CE1 4.42Å; F180-F228 AromaticContact CD2-CD1 3.77Å; F180-F228 HydrophobicContact CD2-CD1 3.77Å; F180-F228 AromaticContact CD2-CE1 3.43Å; F180-F228 HydrophobicContact CD2-CE1 3.43Å; F180-F228 VanDerWaalsContact CD2-CE1 3.43Å; F180-F228 AromaticContact CD2-CZ 3.93Å; F180-F228 HydrophobicContact CD2-CZ 3.93Å; F180-F228 AromaticContact CE2-CD1 3.85Å; F180-F228 HydrophobicContact CE2-CD1 3.85Å; F180-F228 HydrophobicContact CE2-CE1 4Å; F180-F228 HydrophobicContact CG-CE1 4.19Å; Y185-F228 HydrophobicContact CE1-CB 4.33Å; Y185-F228 HydrophobicContact CE1-CD2 4.08Å; Y185-F228 HydrophobicContact CE1-CG 4.34Å; Y185-F228 WeakPolarHBondContact OH-CE2 3.46Å |
| 229 | I | 93.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 157.4 | 170.7 | 68.3 | 170.1 | 0 | 0 | 0 | 111.2 | H141 V142 F144 L157 I166 N167 I220 L231 L252 | H141-I229 CarbonylContact C-O 3.6Å; H141-I229 WeakPolarHBondContact CA-O 3.04Å; V142-I229 HydrophobicContact CB-CD1 4.25Å; V142-I229 HydrophobicContact CB-CG1 3.74Å; V142-I229 HydrophobicContact CG2-CG1 4.37Å; V142-I229 PolarHBondContact N-O 3.14Å; V142-I229 PolarHBondContact O-N 2.82Å; F144-I229 HydrophobicContact CE2-CD1 3.68Å; F144-I229 HydrophobicContact CE2-CG1 3.89Å; F144-I229 HydrophobicContact CZ-CD1 4.27Å; L157-I229 HydrophobicContact CD1-CD1 4.03Å; L157-I229 HydrophobicContact CD1-CG2 3.87Å; I166-I229 HydrophobicContact CG2-CB 4.31Å; I166-I229 HydrophobicContact CG2-CD1 4.14Å; N167-I229 CarbonylContact O-C 3.57Å; N167-I229 VanDerWaalsContact O-CA 3.26Å; N167-I229 WeakPolarHBondContact O-CA 3.24Å; N167-I229 WeakPolarHBondContact O-CB 3.43Å; I220-I229 HydrophobicContact CD1-CG2 4Å; I229-L231 HydrophobicContact CD1-CD2 3.96Å; I229-L231 HydrophobicContact CD1-CG 4.43Å; I229-L252 HydrophobicContact CD1-CD2 3.79Å |
| 230 | E | 94.5 | Very high | 89.4 | Confident | 30 Ų | 30 | 54 Ų | 54 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 128 | 172.2 | 179.6 | -176.6 | 79.6 | 0 | 0 | 109.6 | T139 H141 I166 N167 L169 N232 | T139-E230 HydrophobicContact CG2-CG 3.36Å; H141-E230 IonicContact CD2-OE2 3.99Å; H141-E230 IonicContact NE2-OE2 3.36Å; H141-E230 PolarHBondContact NE2-OE2 2.97Å; I166-E230 WeakPolarHBondContact CA-O 3.24Å; N167-E230 HydrophobicContact CB-CB 4.22Å; N167-E230 PolarHBondContact N-O 2.79Å; N167-E230 PolarHBondContact ND2-OE1 2.97Å; N167-E230 PolarHBondContact O-N 3.27Å; L169-E230 HydrophobicContact CD1-CB 4.21Å; L169-E230 HydrophobicContact CD2-CB 3.91Å; L169-E230 HydrophobicContact CG-CB 4.01Å; E230-N232 PolarHBondContact OE1-ND2 3.4Å |
| 231 | L | 95.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 114.3 | 175.2 | -59.6 | -178.3 | 0 | 0 | 0 | 109 | L131 W133 T139 M140 V142 V164 A165 I166 I229 F250 L252 | L131-L231 HydrophobicContact CD1-CD1 4.22Å; L131-L231 HydrophobicContact CD2-CD1 3.99Å; W133-L231 HydrophobicContact CE3-CB 4.42Å; W133-L231 HydrophobicContact CE3-CD1 4.41Å; W133-L231 HydrophobicContact CZ3-CB 3.84Å; T139-L231 CarbonylContact C-O 3.59Å; T139-L231 VanDerWaalsContact CA-O 3.32Å; T139-L231 WeakPolarHBondContact CA-O 3.45Å; M140-L231 HydrophobicContact CB-CB 4.31Å; M140-L231 PolarHBondContact N-O 3.22Å; M140-L231 WeakPolarHBondContact O-CB 3.31Å; M140-L231 PolarHBondContact O-N 3.41Å; M140-L231 HydrophobicContact SD-CD1 4.12Å; V142-L231 HydrophobicContact CG2-CD1 3.95Å; V142-L231 HydrophobicContact CG2-CG 4.33Å; V164-L231 HydrophobicContact CG1-CB 3.76Å; V164-L231 HydrophobicContact CG1-CD2 4.22Å; A165-L231 WeakPolarHBondContact O-CA 3.49Å; I166-L231 HydrophobicContact CB-CD2 4.39Å; I166-L231 HydrophobicContact CG1-CD2 3.86Å; I166-L231 HydrophobicContact CG2-CD2 4.11Å; I229-L231 HydrophobicContact CD1-CD2 3.96Å; I229-L231 HydrophobicContact CD1-CG 4.43Å; L231-F250 HydrophobicContact CD1-CE1 4.14Å; L231-F250 HydrophobicContact CD2-CE1 4.25Å; L231-L252 HydrophobicContact CD2-CD2 4.14Å |
| 232 | N | 93.2 | Very high | 88.6 | Confident | 36 Ų | 36 | 54 Ų | 54 | 19% | 0.193 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 121.4 | -177.9 | -79.3 | -38.4 | 0 | 0 | 0 | 111.7 | T139 V164 A165 N167 E230 L234 | T139-N232 WeakPolarHBondContact CB-OD1 3.26Å; T139-N232 WeakPolarHBondContact CG2-OD1 3.43Å; T139-N232 PolarHBondContact OG1-OD1 3.15Å; V164-N232 CarbonylContact C-O 3.49Å; V164-N232 VanDerWaalsContact CA-O 3.28Å; V164-N232 WeakPolarHBondContact CA-O 3.36Å; A165-N232 HydrophobicContact CB-CB 4.3Å; A165-N232 PolarHBondContact N-O 3.06Å; A165-N232 PolarHBondContact O-N 2.77Å; N167-N232 PolarHBondContact ND2-ND2 3.26Å; E230-N232 PolarHBondContact OE1-ND2 3.4Å; N232-L234 PolarHBondContact O-N 3.29Å |
| 233 | V | 92.6 | Very high | 87.6 | Confident | 49 Ų | 49 | 59.9 Ų | 59.9 | 30% | 0.297 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 130.8 | 170.8 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | W133 P136 Q138 N235 | W133-V233 HydrophobicContact CH2-CG2 4.24Å; W133-V233 HydrophobicContact CZ3-CG2 4.36Å; P136-V233 HydrophobicContact CB-CG2 3.48Å; P136-V233 VanDerWaalsContact CB-CG2 3.48Å; P136-V233 HydrophobicContact CG-CG2 3.93Å; Q138-V233 VanDerWaalsContact O-CG2 3.3Å; Q138-V233 WeakPolarHBondContact O-CG2 3.24Å; V233-N235 PolarHBondContact O-N 3.41Å |
| 234 | L | 90.3 | Very high | 86.5 | Confident | 9 Ų | 9 | 62.1 Ų | 62.1 | 5% | 0.047 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 138.1 | 174.2 | -68.6 | -172.5 | 0 | 0 | 0 | 111.1 | G163 A165 S192 G193 L194 N232 Q238 M239 L242 | G163-L234 WeakPolarHBondContact O-CG 3.43Å; G163-L234 PolarHBondContact O-N 3.13Å; A165-L234 HydrophobicContact CB-CD2 4.29Å; S192-L234 WeakPolarHBondContact O-CD2 3.11Å; G193-L234 WeakPolarHBondContact O-CD1 3.22Å; L194-L234 HydrophobicContact CD2-CD1 3.81Å; L194-L234 HydrophobicContact CG-CD1 4.38Å; N232-L234 PolarHBondContact O-N 3.29Å; L234-Q238 HydrophobicContact CB-CB 3.96Å; L234-Q238 HydrophobicContact CD1-CB 4.25Å; L234-Q238 HydrophobicContact CD2-CB 4.2Å; L234-Q238 HydrophobicContact CG-CB 4.37Å; L234-M239 HydrophobicContact CB-CG 3.76Å; L234-M239 HydrophobicContact CB-SD 3.82Å; L234-M239 WeakPolarHBondContact O-CG 3.19Å; L234-L242 HydrophobicContact CD1-CD2 4.27Å |
| 235 | N | 89.6 | Confident | 85.4 | Confident | 84 Ų | 84 | 64.3 Ų | 64.3 | 45% | 0.449 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 165.8 | 176.8 | 69.5 | 47.1 | 0 | 0 | 0 | 111.1 | V233 K237 Q238 M239 | V233-N235 PolarHBondContact O-N 3.41Å; N235-K237 PolarHBondContact O-N 3.22Å; N235-K237 VanDerWaalsContact O-N 3.08Å; N235-K237 WeakPolarHBondContact OD1-CA 3.48Å; N235-K237 WeakPolarHBondContact OD1-CB 3.31Å; N235-K237 PolarHBondContact OD1-N 3.2Å; N235-Q238 VanDerWaalsContact CG-OE1 3.23Å; N235-Q238 VanDerWaalsContact N-OE1 3.11Å; N235-Q238 PolarHBondContact ND2-OE1 3.22Å; N235-Q238 PolarHBondContact O-N 2.7Å; N235-Q238 VanDerWaalsContact O-N 3.14Å; N235-Q238 PolarHBondContact OD1-N 2.76Å; N235-M239 WeakPolarHBondContact O-CB 3.16Å; N235-M239 VanDerWaalsContact O-CG 3.24Å; N235-M239 WeakPolarHBondContact O-CG 3.23Å; N235-M239 PolarHBondContact O-N 3.26Å |
| 236 | K | 86.4 | Confident | 84.3 | Confident | 198 Ų | 198 | 66.8 Ų | 66.8 | 86% | 0.861 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -54.6 | -32.9 | -177.2 | -68.3 | -176.9 | 179.9 | 178 | 0 | 113.9 | S240 | K236-S240 PolarHBondContact O-N 3.28Å |
| 237 | K | 87.9 | Confident | 83.2 | Confident | 150 Ų | 150 | 69 Ų | 69 | 65% | 0.652 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -70.9 | -51.9 | 178.4 | -177.2 | -173.9 | 173.3 | -172.9 | 0 | 110.5 | N235 M239 S240 E241 | N235-K237 PolarHBondContact O-N 3.22Å; N235-K237 VanDerWaalsContact O-N 3.08Å; N235-K237 WeakPolarHBondContact OD1-CA 3.48Å; N235-K237 WeakPolarHBondContact OD1-CB 3.31Å; N235-K237 PolarHBondContact OD1-N 3.2Å; K237-M239 VanDerWaalsContact C-N 3.28Å; K237-M239 PolarHBondContact O-N 3.3Å; K237-S240 WeakPolarHBondContact O-CB 3.45Å; K237-S240 PolarHBondContact O-N 3.05Å; K237-S240 PolarHBondContact O-OG 3.14Å; K237-E241 PolarHBondContact O-N 3.42Å |
| 238 | Q | 86.6 | Confident | 82.7 | Confident | 65 Ų | 65 | 75.8 Ų | 75.8 | 30% | 0.304 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.6 | -39.1 | 176.6 | -68.4 | 170.6 | -52.1 | 0 | 0 | 111.9 | L194 L234 N235 S240 E241 | L194-Q238 HydrophobicContact CD2-CB 4.32Å; L234-Q238 HydrophobicContact CB-CB 3.96Å; L234-Q238 HydrophobicContact CD1-CB 4.25Å; L234-Q238 HydrophobicContact CD2-CB 4.2Å; L234-Q238 HydrophobicContact CG-CB 4.37Å; N235-Q238 VanDerWaalsContact CG-OE1 3.23Å; N235-Q238 VanDerWaalsContact N-OE1 3.11Å; N235-Q238 PolarHBondContact ND2-OE1 3.22Å; N235-Q238 PolarHBondContact O-N 2.7Å; N235-Q238 VanDerWaalsContact O-N 3.14Å; N235-Q238 PolarHBondContact OD1-N 2.76Å; Q238-S240 PolarHBondContact O-N 2.91Å; Q238-E241 WeakPolarHBondContact O-CB 3.45Å; Q238-E241 PolarHBondContact O-N 2.79Å |
| 239 | M | 83.7 | Confident | 82.5 | Confident | 65 Ų | 65 | 76.9 Ų | 76.9 | 32% | 0.32 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.9 | -32.7 | 174.5 | -74.2 | -69.5 | -72.1 | 0 | 0 | 113 | L234 N235 K237 E241 L242 I246 | L234-M239 HydrophobicContact CB-CG 3.76Å; L234-M239 HydrophobicContact CB-SD 3.82Å; L234-M239 WeakPolarHBondContact O-CG 3.19Å; N235-M239 WeakPolarHBondContact O-CB 3.16Å; N235-M239 VanDerWaalsContact O-CG 3.24Å; N235-M239 WeakPolarHBondContact O-CG 3.23Å; N235-M239 PolarHBondContact O-N 3.26Å; K237-M239 VanDerWaalsContact C-N 3.28Å; K237-M239 PolarHBondContact O-N 3.3Å; M239-E241 PolarHBondContact O-N 2.86Å; M239-L242 HydrophobicContact CE-CD1 4.2Å; M239-L242 WeakPolarHBondContact O-CB 3.5Å; M239-L242 PolarHBondContact O-N 3.11Å; M239-L242 HydrophobicContact SD-CD1 3.63Å; M239-I246 HydrophobicContact CE-CB 4.45Å; M239-I246 HydrophobicContact CE-CD1 3.19Å; M239-I246 HydrophobicContact CE-CG1 3.82Å; M239-I246 HydrophobicContact SD-CD1 3.53Å; M239-I246 VanDerWaalsContact SD-CD1 3.53Å; M239-I246 HydrophobicContact SD-CG1 4.43Å |
| 240 | S | 82.1 | Confident | 82.3 | Confident | 96 Ų | 96 | 77 Ų | 77 | 67% | 0.671 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -74 | -15.2 | 175.8 | 73.1 | 0 | 0 | 0 | 0 | 113.7 | K236 K237 Q238 | K236-S240 PolarHBondContact O-N 3.28Å; K237-S240 WeakPolarHBondContact O-CB 3.45Å; K237-S240 PolarHBondContact O-N 3.05Å; K237-S240 PolarHBondContact O-OG 3.14Å; Q238-S240 PolarHBondContact O-N 2.91Å |
| 241 | E | 80 | Confident | 82.1 | Confident | 109 Ų | 109 | 77.6 Ų | 77.6 | 51% | 0.509 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -7.4 | 176.7 | -62.5 | 168.9 | -166.3 | 0 | 0 | 112.1 | K237 Q238 M239 T243 | K237-E241 PolarHBondContact O-N 3.42Å; Q238-E241 WeakPolarHBondContact O-CB 3.45Å; Q238-E241 PolarHBondContact O-N 2.79Å; M239-E241 PolarHBondContact O-N 2.86Å; E241-T243 PolarHBondContact O-N 3.03Å |
| 242 | L | 76.2 | Confident | 82 | Confident | 22 Ų | 22 | 77.6 Ų | 77.6 | 12% | 0.115 | 40% | 0.404 | C | S | . | . | trans | -66.9 | 126.9 | 176.7 | -66.3 | 177.4 | 0 | 0 | 0 | 110.9 | P162 L194 L234 M239 E244 I246 | P162-L242 HydrophobicContact CB-CD2 3.92Å; L194-L242 HydrophobicContact CD2-CD2 4.21Å; L194-L242 WeakPolarHBondContact O-CD2 3.36Å; L234-L242 HydrophobicContact CD1-CD2 4.27Å; M239-L242 HydrophobicContact CE-CD1 4.2Å; M239-L242 WeakPolarHBondContact O-CB 3.5Å; M239-L242 PolarHBondContact O-N 3.11Å; M239-L242 HydrophobicContact SD-CD1 3.63Å; L242-E244 WeakPolarHBondContact CB-O 3.44Å; L242-E244 PolarHBondContact O-N 2.78Å; L242-I246 HydrophobicContact CD1-CD1 3.93Å; L242-I246 HydrophobicContact CD1-CG1 3.73Å | ||
| 243 | T | 68.3 | Low | 81.8 | Confident | 132 Ų | 132 | 77.3 Ų | 77.3 | 81% | 0.81 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -61.9 | -26.7 | 175.3 | -43.5 | 0 | 0 | 0 | 0 | 112.3 | E241 | E241-T243 PolarHBondContact O-N 3.03Š|
| 244 | E | 63.7 | Low | 81.7 | Confident | 121 Ų | 121 | 75.4 Ų | 75.4 | 57% | 0.565 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -127.1 | 137.2 | 179.4 | -64.2 | -174.6 | -175.9 | 0 | 0 | 111.3 | L242 | L242-E244 WeakPolarHBondContact CB-O 3.44Å; L242-E244 PolarHBondContact O-N 2.78Å |
| 245 | P | 63.2 | Low | 81.6 | Confident | 112 Ų | 112 | 79 Ų | 79 | 73% | 0.727 | 40% | 0.403 | S | S | * | . | trans | -67.6 | 136.2 | 174.8 | 27.2 | -32.7 | 0 | 0 | 0 | 111.2 | S247 | P245-S247 PolarHBondContact O-N 3.24Š| ||
| 246 | I | 67 | Low | 81.7 | Confident | 60 Ų | 60 | 75.1 Ų | 75.1 | 31% | 0.308 | 38% | 0.382 | S | S | . | . | trans | -66.2 | 105.3 | 172 | -53.3 | -177.1 | 0 | 0 | 0 | 109.1 | V161 P162 M239 L242 R248 | V161-I246 HydrophobicContact CG1-CG2 4.26Å; P162-I246 WeakPolarHBondContact O-CD1 3.26Å; M239-I246 HydrophobicContact CE-CB 4.45Å; M239-I246 HydrophobicContact CE-CD1 3.19Å; M239-I246 HydrophobicContact CE-CG1 3.82Å; M239-I246 HydrophobicContact SD-CD1 3.53Å; M239-I246 VanDerWaalsContact SD-CD1 3.53Å; M239-I246 HydrophobicContact SD-CG1 4.43Å; L242-I246 HydrophobicContact CD1-CD1 3.93Å; L242-I246 HydrophobicContact CD1-CG1 3.73Å; I246-R248 WeakPolarHBondContact CG2-O 3.12Å | ||
| 247 | S | 68.1 | Low | 81.7 | Confident | 100 Ų | 100 | 67.7 Ų | 67.7 | 70% | 0.699 | 35% | 0.353 | S | S | * | . | trans | -105.6 | -8.2 | 177.4 | 53.2 | 0 | 0 | 0 | 0 | 113.1 | P245 | P245-S247 PolarHBondContact O-N 3.24Š| ||
| 248 | R | 80.6 | Confident | 81.6 | Confident | 145 Ų | 145 | 66.7 Ų | 66.7 | 55% | 0.547 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -127.8 | 151.4 | -169.6 | -69.8 | -177.9 | -101.4 | 158.8 | -3.2 | 110.8 | V161 I246 | V161-R248 HydrophobicContact CG2-CB 4.43Å; I246-R248 WeakPolarHBondContact CG2-O 3.12Å |
| 249 | P | 89.1 | Confident | 81.3 | Confident | 31 Ų | 31 | 66.8 Ų | 66.8 | 20% | 0.201 | 36% | 0.356 | C | S | . | . | trans | -51.2 | 144.7 | 168.8 | -26.2 | 35.9 | 0 | 0 | 0 | 111.2 | I16 I132 I134 V161 K251 | I16-P249 HydrophobicContact CD1-CG 4.26Å; I132-P249 HydrophobicContact CG2-CB 3.7Å; I134-P249 HydrophobicContact CB-CB 4.48Å; I134-P249 HydrophobicContact CG1-CB 3.92Å; I134-P249 HydrophobicContact CG1-CG 3.95Å; V161-P249 WeakPolarHBondContact CG2-O 3.33Å; P249-K251 PolarHBondContact O-N 2.94Å | ||
| 250 | F | 90.7 | Very high | 81.2 | Confident | 3 Ų | 3 | 66.8 Ų | 66.8 | 1% | 0.013 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 132.8 | 169.9 | 175.2 | -107.4 | 0 | 0 | 0 | 108.7 | L131 I132 W133 P159 V161 V164 L231 L252 | L131-F250 HydrophobicContact CD2-CD1 4.31Å; L131-F250 HydrophobicContact CD2-CE1 4.41Å; I132-F250 CarbonylContact C-O 3.55Å; I132-F250 WeakPolarHBondContact CA-O 3.48Å; W133-F250 HydrophobicContact CB-CB 4.33Å; W133-F250 HydrophobicContact CB-CD1 4.31Å; W133-F250 PolarHBondContact N-O 3.25Å; W133-F250 PolarHBondContact O-N 2.98Å; P159-F250 HydrophobicContact CB-CE2 3.86Å; P159-F250 HydrophobicContact CB-CZ 4.12Å; V161-F250 WeakPolarHBondContact O-CD2 3.25Å; V164-F250 HydrophobicContact CB-CD1 4.22Å; V164-F250 HydrophobicContact CB-CD2 3.67Å; V164-F250 HydrophobicContact CB-CE1 4.18Å; V164-F250 HydrophobicContact CB-CE2 3.65Å; V164-F250 HydrophobicContact CB-CG 3.96Å; V164-F250 HydrophobicContact CB-CZ 3.9Å; V164-F250 HydrophobicContact CG1-CD1 4.3Å; V164-F250 HydrophobicContact CG1-CE1 4.01Å; V164-F250 HydrophobicContact CG1-CE2 4.25Å; V164-F250 HydrophobicContact CG1-CZ 3.98Å; V164-F250 HydrophobicContact CG2-CB 3.92Å; V164-F250 HydrophobicContact CG2-CD1 4.06Å; V164-F250 HydrophobicContact CG2-CD2 3.71Å; V164-F250 HydrophobicContact CG2-CE2 4.23Å; V164-F250 HydrophobicContact CG2-CG 3.62Å; L231-F250 HydrophobicContact CD1-CE1 4.14Å; L231-F250 HydrophobicContact CD2-CE1 4.25Å; F250-L252 HydrophobicContact CE1-CB 3.78Å; F250-L252 HydrophobicContact CZ-CB 4.03Å |
| 251 | K | 90.5 | Very high | 81.1 | Confident | 43 Ų | 43 | 65.2 Ų | 65.2 | 19% | 0.187 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 125.5 | 177.1 | 178 | 168.2 | 170.2 | -124.7 | 0 | 109.3 | L131 I132 E160 P249 N253 | L131-K251 WeakPolarHBondContact O-CA 3.35Å; I132-K251 HydrophobicContact CG1-CB 4.37Å; I132-K251 HydrophobicContact CG1-CD 4.26Å; I132-K251 HydrophobicContact CG1-CG 4.16Å; E160-K251 HydrophobicContact CB-CB 4.32Å; E160-K251 PolarHBondContact N-O 3Å; E160-K251 IonicContact OE1-NZ 2.79Å; E160-K251 PolarHBondContact OE1-NZ 2.93Å; E160-K251 WeakPolarHBondContact OE2-CD 3.4Å; E160-K251 IonicContact OE2-NZ 3.92Å; E160-K251 PolarHBondContact OE2-NZ 2.83Å; P249-K251 PolarHBondContact O-N 2.94Å; K251-N253 WeakPolarHBondContact CE-OD1 3.43Å; K251-N253 PolarHBondContact NZ-OD1 3.11Å |
| 252 | L | 91.6 | Very high | 81.2 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 110.8 | 176 | 178.5 | 64.8 | 0 | 0 | 0 | 108.1 | Y130 L131 L157 P159 I166 I229 L231 F250 | Y130-L252 CarbonylContact C-O 3.47Å; Y130-L252 VanDerWaalsContact CA-O 3.25Å; Y130-L252 WeakPolarHBondContact CA-O 3.27Å; L131-L252 HydrophobicContact CB-CB 4.33Å; L131-L252 PolarHBondContact N-O 2.87Å; L131-L252 PolarHBondContact O-N 3.03Å; L157-L252 HydrophobicContact CB-CD1 4.15Å; L157-L252 HydrophobicContact CD2-CD1 4.47Å; L157-L252 HydrophobicContact CD2-CD2 4.33Å; L157-L252 HydrophobicContact CD2-CG 4.48Å; P159-L252 HydrophobicContact CB-CD1 4.42Å; I166-L252 HydrophobicContact CD1-CD1 3.76Å; I229-L252 HydrophobicContact CD1-CD2 3.79Å; L231-L252 HydrophobicContact CD2-CD2 4.14Å; F250-L252 HydrophobicContact CE1-CB 3.78Å; F250-L252 HydrophobicContact CZ-CB 4.03Å |
| 253 | N | 90.6 | Very high | 81.5 | Confident | 29 Ų | 29 | 65.2 Ų | 65.2 | 16% | 0.155 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 148.2 | 168.8 | -53.9 | -58.7 | 0 | 0 | 0 | 109.2 | E158 E160 K251 | E158-N253 HydrophobicContact CB-CB 4.32Å; E158-N253 PolarHBondContact N-O 3.06Å; E158-N253 PolarHBondContact O-N 2.8Å; E160-N253 WeakPolarHBondContact CG-ND2 3.36Å; E160-N253 PolarHBondContact OE1-ND2 3.26Å; K251-N253 WeakPolarHBondContact CE-OD1 3.43Å; K251-N253 PolarHBondContact NZ-OD1 3.11Å |
| 254 | F | 90.6 | Very high | 82.4 | Confident | 9 Ų | 9 | 60.7 Ų | 60.7 | 4% | 0.039 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 153.9 | 174 | 67.8 | -90.6 | 0 | 0 | 0 | 112.5 | L124 S126 G129 Y130 F144 Y156 L157 L256 | L124-F254 HydrophobicContact CB-CE1 4.37Å; L124-F254 HydrophobicContact CB-CE2 4.31Å; L124-F254 HydrophobicContact CB-CZ 3.96Å; L124-F254 HydrophobicContact CD1-CD1 4.07Å; L124-F254 HydrophobicContact CD1-CE1 3.69Å; L124-F254 HydrophobicContact CD1-CZ 4.16Å; L124-F254 HydrophobicContact CD2-CE1 4.5Å; L124-F254 HydrophobicContact CG-CE1 4.41Å; L124-F254 HydrophobicContact CG-CZ 4.43Å; S126-F254 WeakPolarHBondContact O-CE2 3.32Å; G129-F254 VanDerWaalsContact C-CD1 3.44Å; G129-F254 VanDerWaalsContact CA-CE1 3.49Å; G129-F254 VanDerWaalsContact CA-CZ 3.48Å; G129-F254 PolarHBondContact N-O 3.1Å; G129-F254 WeakPolarHBondContact O-CD1 3.36Å; G129-F254 PolarHBondContact O-N 3.24Å; Y130-F254 VanDerWaalsContact N-CE1 3.28Å; F144-F254 HydrophobicContact CD1-CD2 4.13Å; F144-F254 HydrophobicContact CD1-CE2 4.49Å; F144-F254 HydrophobicContact CD1-CG 4.39Å; F144-F254 HydrophobicContact CE1-CB 3.81Å; F144-F254 AromaticContact CE1-CD1 3.92Å; F144-F254 HydrophobicContact CE1-CD1 3.92Å; F144-F254 AromaticContact CE1-CD2 3.72Å; F144-F254 HydrophobicContact CE1-CD2 3.72Å; F144-F254 HydrophobicContact CE1-CE1 4.4Å; F144-F254 HydrophobicContact CE1-CE2 4.22Å; F144-F254 AromaticContact CE1-CG 3.55Å; F144-F254 HydrophobicContact CE1-CG 3.55Å; F144-F254 HydrophobicContact CZ-CB 4.27Å; F144-F254 HydrophobicContact CZ-CG 4.35Å; Y156-F254 CarbonylContact O-C 3.54Å; Y156-F254 WeakPolarHBondContact O-CA 3.35Å; L157-F254 HydrophobicContact CD2-CB 3.83Å; F254-L256 HydrophobicContact CD2-CD2 4.34Å; F254-L256 HydrophobicContact CD2-CG 4.37Å |
| 255 | R | 88.2 | Confident | 83.7 | Confident | 85 Ų | 85 | 56.4 Ų | 56.4 | 32% | 0.321 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 132.4 | 169 | 177.6 | 175.9 | -170 | -150.9 | 6 | 109.6 | E127 T128 Y156 F213 V257 | E127-R255 CarbonylContact O-C 3.54Å; E127-R255 VanDerWaalsContact O-CA 3.27Å; E127-R255 WeakPolarHBondContact O-CA 3.47Å; T128-R255 HydrophobicContact CG2-CB 4.18Å; T128-R255 HydrophobicContact CG2-CG 3.83Å; Y156-R255 WeakPolarHBondContact CB-O 3.48Å; Y156-R255 PolarHBondContact N-O 3.16Å; Y156-R255 PolarHBondContact O-N 3.39Å; F213-R255 VanDerWaalsContact CD2-NH1 3.25Å; R255-V257 HydrophobicContact CG-CG2 4Å |
| 256 | L | 90 | Very high | 85.3 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 137.9 | 174.1 | -44.7 | -175.1 | 0 | 0 | 0 | 108.2 | S126 E127 F144 T145 Y146 F153 L154 C155 F254 | S126-L256 VanDerWaalsContact O-CD1 3.26Å; S126-L256 WeakPolarHBondContact O-CD1 3.38Å; S126-L256 WeakPolarHBondContact O-CG 3.09Å; E127-L256 PolarHBondContact O-N 3.17Å; F144-L256 HydrophobicContact CB-CD2 4.23Å; F144-L256 HydrophobicContact CD1-CD2 3.91Å; F144-L256 HydrophobicContact CG-CD2 4.33Å; T145-L256 WeakPolarHBondContact O-CD1 3.36Å; Y146-L256 HydrophobicContact CD2-CB 3.6Å; Y146-L256 HydrophobicContact CE2-CB 3.95Å; F153-L256 HydrophobicContact CD2-CB 4.09Å; F153-L256 HydrophobicContact CD2-CD2 4.07Å; F153-L256 HydrophobicContact CD2-CG 4.46Å; F153-L256 HydrophobicContact CE2-CD1 4.28Å; F153-L256 HydrophobicContact CE2-CD2 3.79Å; F153-L256 HydrophobicContact CE2-CG 4.43Å; L154-L256 WeakPolarHBondContact O-CA 3.35Å; C155-L256 HydrophobicContact CB-CD2 4.17Å; F254-L256 HydrophobicContact CD2-CD2 4.34Å; F254-L256 HydrophobicContact CD2-CG 4.37Å |
| 257 | V | 87.1 | Confident | 86.8 | Confident | 42 Ų | 42 | 51.5 Ų | 51.5 | 26% | 0.255 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 121.6 | -179.2 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | F153 L154 Y156 R255 | F153-V257 CarbonylContact C-O 3.54Å; F153-V257 WeakPolarHBondContact CA-O 3.5Å; F153-V257 WeakPolarHBondContact CB-O 3.4Å; L154-V257 PolarHBondContact N-O 3.07Å; L154-V257 PolarHBondContact O-N 2.93Å; Y156-V257 HydrophobicContact CD2-CG2 3.98Å; Y156-V257 HydrophobicContact CE2-CB 4.22Å; Y156-V257 HydrophobicContact CE2-CG2 3.71Å; R255-V257 HydrophobicContact CG-CG2 4Å |
| 258 | L | 85.1 | Confident | 88.5 | Confident | 128 Ų | 128 | 47.1 Ų | 47.1 | 67% | 0.67 | 22% | 0.219 | S | C | * | . | trans | -70.6 | 0 | 168.5 | -72.1 | 169.7 | 0 | 0 | 0 | 111.5 | Y146 C151 F153 | Y146-L258 HydrophobicContact CD1-CD1 3.59Å; Y146-L258 HydrophobicContact CD1-CD2 3.93Å; Y146-L258 HydrophobicContact CD1-CG 3.63Å; Y146-L258 HydrophobicContact CD2-CD2 4.1Å; Y146-L258 HydrophobicContact CD2-CG 3.74Å; Y146-L258 HydrophobicContact CE1-CD1 3.32Å; Y146-L258 HydrophobicContact CE1-CD2 4.4Å; Y146-L258 HydrophobicContact CE1-CG 3.6Å; Y146-L258 HydrophobicContact CE2-CB 4.41Å; Y146-L258 HydrophobicContact CE2-CD1 4.3Å; Y146-L258 HydrophobicContact CE2-CG 3.68Å; Y146-L258 HydrophobicContact CG-CD1 4.22Å; Y146-L258 HydrophobicContact CG-CD2 3.77Å; Y146-L258 HydrophobicContact CG-CG 3.71Å; C151-L258 HydrophobicContact CB-CD2 3.54Å; F153-L258 HydrophobicContact CB-CD2 4.3Å |
Retrieved 258 of 258 residues in 162.6 ms
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