| 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 | R | 58.8 | Low | 59.4 | Low | 254 Ų | 254 | 142.1 Ų | 142.1 | 96% | 0.958 | 61% | 0.605 | S | S | * | * | 0 | -70 | 0 | -69.1 | -157.6 | -99.6 | -159.3 | -1.9 | 114.3 | E4 W5 | R1-E4 WeakPolarHBondContact CA-OE2 3.43Å; R1-E4 PolarHBondContact N-OE2 3.21Å; R1-W5 PolarHBondContact O-N 3.02Å | |||
| 2 | R | 50.1 | Low | 60.1 | Low | 217 Ų | 217 | 135.3 Ų | 135.3 | 82% | 0.819 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -69.8 | -36.2 | 179.9 | -163.5 | 173.9 | -175.9 | 177.4 | 0.4 | 114.1 | N6 | R2-N6 PolarHBondContact O-N 3.3Å |
| 3 | M | 51.2 | Low | 60.7 | Low | 155 Ų | 155 | 133.1 Ų | 133.1 | 76% | 0.764 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.2 | -41.3 | 175.9 | -83.1 | 174.3 | 174.6 | 0 | 0 | 113.5 | W5 N6 L7 | M3-W5 PolarHBondContact O-N 3.14Å; M3-N6 PolarHBondContact O-N 3.31Å; M3-L7 PolarHBondContact O-N 3.22Å |
| 4 | E | 56.2 | Low | 60.6 | Low | 105 Ų | 105 | 129 Ų | 129 | 49% | 0.491 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.8 | -26.6 | 178.3 | -66 | 163.2 | 124.3 | 0 | 0 | 112.8 | R1 R8 | R1-E4 WeakPolarHBondContact CA-OE2 3.43Å; R1-E4 PolarHBondContact N-OE2 3.21Å; E4-R8 PolarHBondContact O-N 2.77Å; E4-R8 PolarHBondContact O-NE 3.46Å |
| 5 | W | 53.7 | Low | 60.6 | Low | 152 Ų | 152 | 130.8 Ų | 130.8 | 58% | 0.576 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -73.4 | -40.7 | 173.7 | -170.9 | 86.4 | 0 | 0 | 0 | 111.1 | R1 M3 R9 | R1-W5 PolarHBondContact O-N 3.02Å; M3-W5 PolarHBondContact O-N 3.14Å; W5-R9 VanDerWaalsContact CH2-NH1 3.33Å; W5-R9 PolarHBondContact O-N 3.47Å; W5-R9 VanDerWaalsContact O-N 3.17Å |
| 6 | N | 66.4 | Low | 60.7 | Low | 84 Ų | 84 | 132.8 Ų | 132.8 | 45% | 0.449 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.3 | -40.7 | 174.2 | -72.6 | -18.9 | 0 | 0 | 0 | 112.2 | R2 M3 R9 M10 | R2-N6 PolarHBondContact O-N 3.3Å; M3-N6 PolarHBondContact O-N 3.31Å; N6-R9 PolarHBondContact O-N 2.86Å; N6-M10 WeakPolarHBondContact O-CB 3.46Å; N6-M10 PolarHBondContact O-N 3.22Å |
| 7 | L | 57.1 | Low | 61 | Low | 97 Ų | 97 | 133.4 Ų | 133.4 | 51% | 0.508 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.6 | -47 | 177.1 | -107.5 | 114.9 | 0 | 0 | 0 | 112.2 | M3 R9 M10 E11 | M3-L7 PolarHBondContact O-N 3.22Å; L7-R9 VanDerWaalsContact C-N 3.3Å; L7-R9 PolarHBondContact O-N 2.93Å; L7-M10 PolarHBondContact O-N 2.95Å; L7-E11 WeakPolarHBondContact O-CG 3.22Å; L7-E11 PolarHBondContact O-N 2.9Å |
| 8 | R | 66.5 | Low | 60.8 | Low | 161 Ų | 161 | 129.8 Ų | 129.8 | 61% | 0.608 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.8 | -36.1 | 178.7 | -80.9 | -176.2 | -99.8 | -124.4 | -0.4 | 112.8 | E4 S12 | E4-R8 PolarHBondContact O-N 2.77Å; E4-R8 PolarHBondContact O-NE 3.46Å; R8-S12 WeakPolarHBondContact O-CB 3.38Å; R8-S12 PolarHBondContact O-N 3.3Å |
| 9 | R | 68.6 | Low | 60.7 | Low | 137 Ų | 137 | 127.6 Ų | 127.6 | 52% | 0.517 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67 | -43.4 | 175.4 | -169.8 | 175.7 | 179.6 | 154.6 | 2.5 | 111.4 | W5 N6 L7 S12 E13 | W5-R9 VanDerWaalsContact CH2-NH1 3.33Å; W5-R9 PolarHBondContact O-N 3.47Å; W5-R9 VanDerWaalsContact O-N 3.17Å; N6-R9 PolarHBondContact O-N 2.86Å; L7-R9 VanDerWaalsContact C-N 3.3Å; L7-R9 PolarHBondContact O-N 2.93Å; R9-S12 WeakPolarHBondContact O-CB 3.25Å; R9-S12 PolarHBondContact O-N 2.68Å; R9-E13 IonicContact NE-OE1 3.72Å; R9-E13 WeakPolarHBondContact O-CG 3.26Å; R9-E13 PolarHBondContact O-N 3.36Å |
| 10 | M | 61.8 | Low | 60.6 | Low | 120 Ų | 120 | 126.1 Ų | 126.1 | 59% | 0.591 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.3 | -39.9 | 178.9 | -151.6 | 164.2 | 72.5 | 0 | 0 | 112.1 | N6 L7 S12 E13 L14 | N6-M10 WeakPolarHBondContact O-CB 3.46Å; N6-M10 PolarHBondContact O-N 3.22Å; L7-M10 PolarHBondContact O-N 2.95Å; M10-S12 VanDerWaalsContact C-N 3.34Å; M10-S12 PolarHBondContact O-N 3.23Å; M10-E13 PolarHBondContact O-N 3.09Å; M10-L14 WeakPolarHBondContact O-CB 3.24Å; M10-L14 VanDerWaalsContact O-CG 3.31Å; M10-L14 WeakPolarHBondContact O-CG 3.09Å; M10-L14 PolarHBondContact O-N 2.78Å |
| 11 | E | 63.3 | Low | 60.4 | Low | 81 Ų | 81 | 126.1 Ų | 126.1 | 38% | 0.379 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.4 | -39.5 | 171.3 | -77.8 | 178.4 | 172.5 | 0 | 0 | 112.2 | L7 R15 | L7-E11 WeakPolarHBondContact O-CG 3.22Å; L7-E11 PolarHBondContact O-N 2.9Å; E11-R15 WeakPolarHBondContact O-CG 3.48Å; E11-R15 PolarHBondContact O-N 3.24Å; E11-R15 VanDerWaalsContact O-N 3.14Å |
| 12 | S | 67.3 | Low | 60.3 | Low | 60 Ų | 60 | 117.6 Ų | 117.6 | 42% | 0.42 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.8 | -40.8 | 177.1 | -171.7 | 0 | 0 | 0 | 0 | 111.9 | R8 R9 M10 R15 H16 | R8-S12 WeakPolarHBondContact O-CB 3.38Å; R8-S12 PolarHBondContact O-N 3.3Å; R9-S12 WeakPolarHBondContact O-CB 3.25Å; R9-S12 PolarHBondContact O-N 2.68Å; M10-S12 VanDerWaalsContact C-N 3.34Å; M10-S12 PolarHBondContact O-N 3.23Å; S12-R15 PolarHBondContact O-N 3.25Å; S12-H16 PolarHBondContact O-ND1 3.14Å |
| 13 | E | 67.9 | Low | 60.8 | Low | 107 Ų | 107 | 111.3 Ų | 111.3 | 50% | 0.5 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.8 | -39.6 | 177.4 | -73.4 | 179.1 | -171.6 | 0 | 0 | 111.6 | R9 M10 R15 H16 I17 | R9-E13 IonicContact NE-OE1 3.72Å; R9-E13 WeakPolarHBondContact O-CG 3.26Å; R9-E13 PolarHBondContact O-N 3.36Å; M10-E13 PolarHBondContact O-N 3.09Å; E13-R15 PolarHBondContact O-N 3Å; E13-H16 PolarHBondContact O-N 3.41Å; E13-I17 WeakPolarHBondContact O-CG1 3.49Å; E13-I17 PolarHBondContact O-N 2.7Å |
| 14 | L | 59.8 | Low | 60.6 | Low | 76 Ų | 76 | 109.5 Ų | 109.5 | 40% | 0.398 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.8 | -35.5 | 175.4 | -74.4 | 168 | 0 | 0 | 0 | 113.3 | M10 H16 I17 N18 L22 | M10-L14 WeakPolarHBondContact O-CB 3.24Å; M10-L14 VanDerWaalsContact O-CG 3.31Å; M10-L14 WeakPolarHBondContact O-CG 3.09Å; M10-L14 PolarHBondContact O-N 2.78Å; L14-H16 VanDerWaalsContact C-N 3.26Å; L14-H16 PolarHBondContact O-N 3.2Å; L14-I17 PolarHBondContact O-N 2.9Å; L14-N18 PolarHBondContact O-N 3.34Å; L14-N18 VanDerWaalsContact O-N 3.14Å; L14-L22 HydrophobicContact CB-CD1 4.01Å |
| 15 | R | 60.7 | Low | 60.4 | Low | 156 Ų | 156 | 109.9 Ų | 109.9 | 59% | 0.589 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.1 | -29.7 | 175.8 | -75.3 | 176.7 | -169.9 | -138.3 | 2.1 | 113.6 | E11 S12 E13 L22 | E11-R15 WeakPolarHBondContact O-CG 3.48Å; E11-R15 PolarHBondContact O-N 3.24Å; E11-R15 VanDerWaalsContact O-N 3.14Å; S12-R15 PolarHBondContact O-N 3.25Å; E13-R15 PolarHBondContact O-N 3Å; R15-L22 HydrophobicContact CG-CD1 3.6Å |
| 16 | H | 62.8 | Low | 60 | Low | 162 Ų | 162 | 109.8 Ų | 109.8 | 75% | 0.75 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -82.7 | -25.3 | -179.4 | -72.6 | 78.1 | 0 | 0 | 0 | 112.6 | S12 E13 L14 | S12-H16 PolarHBondContact O-ND1 3.14Å; E13-H16 PolarHBondContact O-N 3.41Å; L14-H16 VanDerWaalsContact C-N 3.26Å; L14-H16 PolarHBondContact O-N 3.2Å |
| 17 | I | 65.3 | Low | 58.9 | Low | 144 Ų | 144 | 110.8 Ų | 110.8 | 74% | 0.738 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -88.1 | -39.6 | -177.4 | -61.8 | 169.1 | 0 | 0 | 0 | 111.1 | E13 L14 | E13-I17 WeakPolarHBondContact O-CG1 3.49Å; E13-I17 PolarHBondContact O-N 2.7Å; L14-I17 PolarHBondContact O-N 2.9Å |
| 18 | N | 56.7 | Low | 58.3 | Low | 69 Ų | 69 | 116.2 Ų | 116.2 | 37% | 0.369 | 58% | 0.584 | S | S | . | * | trans | -157 | 104.4 | 173.7 | -164.9 | -17.4 | 0 | 0 | 0 | 111.6 | L14 D20 L21 | L14-N18 PolarHBondContact O-N 3.34Å; L14-N18 VanDerWaalsContact O-N 3.14Å; N18-D20 PolarHBondContact O-N 2.79Å; N18-D20 VanDerWaalsContact O-N 3.08Å; N18-D20 PolarHBondContact OD1-N 3.47Å; N18-L21 HydrophobicContact CB-CD1 3.99Å; N18-L21 HydrophobicContact CB-CG 4.36Å; N18-L21 PolarHBondContact O-N 3.43Å | ||
| 19 | P | 58.8 | Low | 57 | Low | 88 Ų | 88 | 117.2 Ų | 117.2 | 57% | 0.571 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -9.8 | -175.3 | 26.2 | -32.9 | 0 | 0 | 0 | 114.2 | Q23 | P19-Q23 PolarHBondContact O-NE2 2.75Š|
| 20 | D | 60.2 | Low | 56 | Low | 96 Ų | 96 | 120 Ų | 120 | 51% | 0.513 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.3 | -16.6 | -180 | -76.2 | -20.1 | 0 | 0 | 0 | 114.1 | N18 Q23 | N18-D20 PolarHBondContact O-N 2.79Å; N18-D20 VanDerWaalsContact O-N 3.08Å; N18-D20 PolarHBondContact OD1-N 3.47Å; D20-Q23 PolarHBondContact OD1-NE2 3.45Å |
| 21 | L | 54.8 | Low | 55.2 | Low | 128 Ų | 128 | 118.1 Ų | 118.1 | 67% | 0.67 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -20.5 | -176.3 | -79.2 | 169.4 | 0 | 0 | 0 | 114.5 | N18 | N18-L21 HydrophobicContact CB-CD1 3.99Å; N18-L21 HydrophobicContact CB-CG 4.36Å; N18-L21 PolarHBondContact O-N 3.43Å |
| 22 | L | 57.2 | Low | 54.7 | Low | 75 Ų | 75 | 120.1 Ų | 120.1 | 39% | 0.393 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.8 | 5.3 | -179.1 | -73.7 | 164 | 0 | 0 | 0 | 112.9 | L14 R15 | L14-L22 HydrophobicContact CB-CD1 4.01Å; R15-L22 HydrophobicContact CG-CD1 3.6Å |
| 23 | Q | 59.6 | Low | 54.6 | Low | 85 Ų | 85 | 119.8 Ų | 119.8 | 40% | 0.397 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -70.5 | 130.1 | 171 | -73.5 | 174.6 | 32 | 0 | 0 | 108.5 | P19 D20 S25 K26 | P19-Q23 PolarHBondContact O-NE2 2.75Å; D20-Q23 PolarHBondContact OD1-NE2 3.45Å; Q23-S25 PolarHBondContact O-N 3.06Å; Q23-K26 VanDerWaalsContact OE1-CE 3.22Å |
| 24 | P | 47.6 | Very low | 55.4 | Low | 117 Ų | 117 | 117.1 Ų | 117.1 | 76% | 0.76 | 63% | 0.627 | S | S | * | * | trans | -52.5 | 129.2 | 168.6 | 21.9 | -31.2 | 0 | 0 | 0 | 107.9 | K26 | P24-K26 PolarHBondContact O-N 3.34Š| ||
| 25 | S | 51.9 | Low | 56.9 | Low | 113 Ų | 113 | 116 Ų | 116 | 79% | 0.79 | 62% | 0.623 | S | S | * | * | trans | -38.7 | 113.7 | -176.9 | 53.7 | 0 | 0 | 0 | 0 | 109.6 | Q23 S27 | Q23-S25 PolarHBondContact O-N 3.06Å; S25-S27 PolarHBondContact O-N 3.09Å | ||
| 26 | K | 45.3 | Very low | 58.4 | Low | 150 Ų | 150 | 109.4 Ų | 109.4 | 65% | 0.652 | 60% | 0.599 | S | S | * | * | trans | -46.7 | 111.9 | -177.7 | -71.4 | 175.5 | -178.4 | 168.3 | 0 | 107.6 | Q23 P24 F28 | Q23-K26 VanDerWaalsContact OE1-CE 3.22Å; P24-K26 PolarHBondContact O-N 3.34Å; K26-F28 PolarHBondContact O-N 2.97Å | ||
| 27 | S | 43.3 | Very low | 60 | Low | 104 Ų | 104 | 103.5 Ų | 103.5 | 73% | 0.727 | 58% | 0.575 | S | S | * | * | trans | -32.4 | 129.4 | 167.6 | 51.3 | 0 | 0 | 0 | 0 | 109.6 | S25 K29 | S25-S27 PolarHBondContact O-N 3.09Å; S27-K29 PolarHBondContact O-N 2.92Å | ||
| 28 | F | 44.8 | Very low | 61.4 | Low | 212 Ų | 212 | 96.8 Ų | 96.8 | 93% | 0.93 | 54% | 0.54 | S | S | * | . | trans | -32.3 | 107.5 | 172.8 | -85.7 | -97.6 | 0 | 0 | 0 | 109.6 | K26 K30 | K26-F28 PolarHBondContact O-N 2.97Å; F28-K30 PolarHBondContact O-N 3.23Å | ||
| 29 | K | 39.3 | Very low | 63.3 | Low | 181 Ų | 181 | 94.3 Ų | 94.3 | 79% | 0.787 | 53% | 0.527 | S | S | * | . | trans | -52.5 | 117.2 | 170.4 | -75 | -178.3 | 176.8 | 178.9 | 0 | 105.5 | S27 P31 | S27-K29 PolarHBondContact O-N 2.92Å; K29-P31 WeakPolarHBondContact O-CD 3.18Å | ||
| 30 | K | 47.7 | Very low | 65.1 | Low | 196 Ų | 196 | 90.1 Ų | 90.1 | 85% | 0.852 | 50% | 0.5 | S | S | * | . | trans | -46.7 | 115 | 163.3 | -124.5 | -179.9 | -177.3 | 178.8 | 0 | 105.4 | F28 S32 | F28-K30 PolarHBondContact O-N 3.23Å; K30-S32 VanDerWaalsContact C-N 3.27Å; K30-S32 PolarHBondContact O-N 3.19Å | ||
| 31 | P | 45.4 | Very low | 66.8 | Low | 80 Ų | 80 | 87.1 Ų | 87.1 | 52% | 0.519 | 49% | 0.492 | S | S | . | . | trans | -72.1 | 97.3 | 178.8 | 27.1 | -29.6 | 0 | 0 | 0 | 106.3 | K29 S33 | K29-P31 WeakPolarHBondContact O-CD 3.18Å; P31-S33 PolarHBondContact O-N 3.38Å; P31-S33 VanDerWaalsContact O-N 3.07Å | ||
| 32 | S | 53.1 | Low | 68.7 | Low | 124 Ų | 124 | 83.6 Ų | 83.6 | 87% | 0.867 | 49% | 0.486 | S | S | * | . | trans | -69.4 | 20.9 | 161.1 | 60.6 | 0 | 0 | 0 | 0 | 111.4 | K30 G34 | K30-S32 VanDerWaalsContact C-N 3.27Å; K30-S32 PolarHBondContact O-N 3.19Å; S32-G34 PolarHBondContact O-N 3.32Å | ||
| 33 | S | 63.9 | Low | 70.7 | Confident | 53 Ų | 53 | 84.7 Ų | 84.7 | 37% | 0.371 | 49% | 0.488 | S | S | . | . | trans | -75.7 | 119.3 | 168.1 | 61.7 | 0 | 0 | 0 | 0 | 107.3 | P31 T35 R49 | P31-S33 PolarHBondContact O-N 3.38Å; P31-S33 VanDerWaalsContact O-N 3.07Å; S33-T35 PolarHBondContact O-N 3Å; S33-T35 VanDerWaalsContact O-O 3.1Å; S33-T35 PolarHBondContact OG-O 3.43Å; S33-R49 PolarHBondContact O-NE 3.27Å | ||
| 34 | G | 85.8 | Confident | 72.4 | Confident | 50 Ų | 50 | 84.8 Ų | 84.8 | 52% | 0.515 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -59.5 | -2.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S32 H48 R49 | S32-G34 PolarHBondContact O-N 3.32Å; G34-H48 CarbonylContact O-C 3.56Å; G34-H48 VanDerWaalsContact O-CA 3.29Å; G34-H48 WeakPolarHBondContact O-CA 3.33Å; G34-R49 PolarHBondContact O-N 3.47Å |
| 35 | T | 91.9 | Very high | 74.8 | Confident | 52 Ų | 52 | 81.1 Ų | 81.1 | 32% | 0.319 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 156.2 | 176.2 | 55.3 | 0 | 0 | 0 | 0 | 112.3 | S33 A47 | S33-T35 PolarHBondContact O-N 3Å; S33-T35 VanDerWaalsContact O-O 3.1Å; S33-T35 PolarHBondContact OG-O 3.43Å; T35-A47 CarbonylContact C-O 3.51Å; T35-A47 WeakPolarHBondContact CA-O 3.34Å; T35-A47 WeakPolarHBondContact CB-O 3.29Å |
| 36 | I | 92.1 | Very high | 76.9 | Confident | 18 Ų | 18 | 79.4 Ų | 79.4 | 9% | 0.092 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 140.7 | 174.9 | -177.5 | 172.2 | 0 | 0 | 0 | 108.3 | L38 A47 R49 L52 P79 | I36-L38 HydrophobicContact CD1-CD2 4.06Å; I36-L38 HydrophobicContact CG1-CD2 4.13Å; I36-A47 PolarHBondContact N-O 3.45Å; I36-A47 PolarHBondContact O-N 3.07Å; I36-R49 HydrophobicContact CB-CG 4.35Å; I36-R49 HydrophobicContact CG2-CG 4.14Å; I36-L52 HydrophobicContact CG2-CD1 3.4Å; I36-L52 VanDerWaalsContact CG2-CD1 3.4Å; I36-P79 HydrophobicContact CD1-CG 4.41Å |
| 37 | T | 95.1 | Very high | 79.3 | Confident | 38 Ų | 38 | 72.7 Ų | 72.7 | 23% | 0.233 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 132.1 | 174.1 | -58.1 | 0 | 0 | 0 | 0 | 108.7 | L44 Y45 T46 N78 P79 | T37-L44 HydrophobicContact CG2-CD2 4.33Å; T37-Y45 CarbonylContact C-O 3.58Å; T37-Y45 WeakPolarHBondContact CA-O 3.44Å; T37-T46 PolarHBondContact OG1-OG1 3.45Å; T37-T46 VanDerWaalsContact OG1-OG1 3.08Å; T37-N78 WeakPolarHBondContact CB-OD1 3.38Å; T37-P79 WeakPolarHBondContact O-CD 3.43Å |
| 38 | L | 95.3 | Very high | 81.8 | Confident | 3 Ų | 3 | 72.7 Ų | 72.7 | 2% | 0.016 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 140.5 | 178.5 | -55.9 | 179.2 | 0 | 0 | 0 | 109 | I36 V40 L44 Y45 L52 L60 L63 P79 I81 F88 | I36-L38 HydrophobicContact CD1-CD2 4.06Å; I36-L38 HydrophobicContact CG1-CD2 4.13Å; L38-V40 HydrophobicContact CB-CG2 4.28Å; L38-L44 CarbonylContact O-C 3.56Å; L38-L44 WeakPolarHBondContact O-CA 3.42Å; L38-Y45 PolarHBondContact N-O 3.48Å; L38-Y45 PolarHBondContact O-N 2.98Å; L38-L52 HydrophobicContact CD1-CD1 3.9Å; L38-L52 HydrophobicContact CD1-CD2 4.44Å; L38-L52 HydrophobicContact CG-CD1 4.49Å; L38-L60 HydrophobicContact CD1-CD2 4.17Å; L38-L63 HydrophobicContact CD1-CD2 4.4Å; L38-L63 HydrophobicContact CD2-CD2 3.51Å; L38-L63 HydrophobicContact CD2-CG 4.43Å; L38-P79 HydrophobicContact CD2-CB 4.06Å; L38-P79 HydrophobicContact CD2-CG 4.26Å; L38-I81 HydrophobicContact CD1-CD1 4.28Å; L38-F88 HydrophobicContact CD1-CE1 4.48Å; L38-F88 HydrophobicContact CD1-CZ 4.04Å |
| 39 | N | 96.6 | Very high | 84.1 | Confident | 17 Ų | 17 | 65.5 Ų | 65.5 | 9% | 0.091 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 108.3 | 169.6 | -172.9 | -28.5 | 0 | 0 | 0 | 108.8 | G42 F43 L44 D74 N78 P79 F80 I81 | N39-G42 WeakPolarHBondContact OD1-CA 3.44Å; N39-G42 PolarHBondContact OD1-N 3.22Å; N39-F43 CarbonylContact C-O 3.53Å; N39-F43 WeakPolarHBondContact CA-O 3.38Å; N39-L44 HydrophobicContact CB-CD2 3.73Å; N39-D74 HydrophobicContact CB-CB 4.37Å; N39-D74 WeakPolarHBondContact ND2-CB 3.3Å; N39-D74 PolarHBondContact ND2-OD2 2.98Å; N39-N78 HydrophobicContact CB-CB 4.47Å; N39-P79 PolarHBondContact N-O 3.29Å; N39-F80 HydrophobicContact CB-CD2 4.05Å; N39-F80 CarbonylContact O-C 3.59Å; N39-F80 VanDerWaalsContact O-CA 3.31Å; N39-F80 WeakPolarHBondContact O-CA 3.32Å; N39-F80 WeakPolarHBondContact O-CD2 3.48Å; N39-I81 PolarHBondContact O-N 3.44Å |
| 40 | V | 97.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 103.6 | -177.4 | -170.8 | 0 | 0 | 0 | 0 | 109 | L38 G42 F43 Y45 I81 R83 G85 F88 | L38-V40 HydrophobicContact CB-CG2 4.28Å; V40-G42 PolarHBondContact O-N 2.79Å; V40-G42 VanDerWaalsContact O-N 3.13Å; V40-F43 PolarHBondContact N-O 3.32Å; V40-F43 WeakPolarHBondContact O-CB 3.46Å; V40-F43 PolarHBondContact O-N 3.05Å; V40-Y45 HydrophobicContact CB-CD2 4.36Å; V40-Y45 HydrophobicContact CG2-CD2 4.16Å; V40-I81 CarbonylContact C-O 3.43Å; V40-I81 WeakPolarHBondContact CA-O 3.43Å; V40-I81 HydrophobicContact CG1-CB 4.4Å; V40-I81 HydrophobicContact CG1-CG2 4.36Å; V40-I81 HydrophobicContact CG2-CB 4.3Å; V40-I81 HydrophobicContact CG2-CD1 4.22Å; V40-R83 HydrophobicContact CG1-CB 4.06Å; V40-G85 VanDerWaalsContact O-CA 3.31Å; V40-G85 WeakPolarHBondContact O-CA 3.49Å; V40-F88 HydrophobicContact CB-CB 4.48Å; V40-F88 HydrophobicContact CB-CD1 4.48Å; V40-F88 HydrophobicContact CB-CG 4.39Å; V40-F88 HydrophobicContact CG1-CB 4.02Å; V40-F88 HydrophobicContact CG1-CD2 4.43Å; V40-F88 HydrophobicContact CG1-CG 4.15Å; V40-F88 HydrophobicContact CG2-CD1 3.83Å; V40-F88 HydrophobicContact CG2-CD2 4.33Å; V40-F88 HydrophobicContact CG2-CE1 4Å; V40-F88 HydrophobicContact CG2-CE2 4.49Å; V40-F88 HydrophobicContact CG2-CG 4Å; V40-F88 HydrophobicContact CG2-CZ 4.33Å |
| 41 | G | 95.6 | Very high | 88.9 | Confident | 34 Ų | 34 | 53.4 Ų | 53.4 | 35% | 0.351 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 28.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | I81 R83 | G41-I81 PolarHBondContact N-O 3Å; G41-R83 VanDerWaalsContact CA-O 3.26Å; G41-R83 WeakPolarHBondContact CA-O 3.32Å; G41-R83 PolarHBondContact N-O 3.29Å |
| 42 | G | 94.8 | Very high | 91.3 | Very high | 53 Ų | 53 | 49.6 Ų | 49.6 | 55% | 0.546 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98 | -8.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N39 V40 | N39-G42 WeakPolarHBondContact OD1-CA 3.44Å; N39-G42 PolarHBondContact OD1-N 3.22Å; V40-G42 PolarHBondContact O-N 2.79Å; V40-G42 VanDerWaalsContact O-N 3.13Å |
| 43 | F | 97.6 | Very high | 93.2 | Very high | 98 Ų | 98 | 44.8 Ų | 44.8 | 43% | 0.43 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 125.3 | -180 | -67.1 | -102.4 | 0 | 0 | 0 | 111.2 | N39 V40 Y45 P86 | N39-F43 CarbonylContact C-O 3.53Å; N39-F43 WeakPolarHBondContact CA-O 3.38Å; V40-F43 PolarHBondContact N-O 3.32Å; V40-F43 WeakPolarHBondContact O-CB 3.46Å; V40-F43 PolarHBondContact O-N 3.05Å; F43-Y45 HydrophobicContact CB-CD2 4.23Å; F43-Y45 HydrophobicContact CB-CE2 3.55Å; F43-Y45 WeakPolarHBondContact O-CD2 3.49Å; F43-P86 HydrophobicContact CE1-CG 4.12Å; F43-P86 HydrophobicContact CE2-CG 3.98Å; F43-P86 HydrophobicContact CZ-CG 3.69Å |
| 44 | L | 97 | Very high | 94.4 | Very high | 88 Ų | 88 | 47.4 Ų | 47.4 | 46% | 0.461 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 122.9 | -179.1 | -63.7 | 171.4 | 0 | 0 | 0 | 111.4 | T37 L38 N39 M76 | T37-L44 HydrophobicContact CG2-CD2 4.33Å; L38-L44 CarbonylContact O-C 3.56Å; L38-L44 WeakPolarHBondContact O-CA 3.42Å; N39-L44 HydrophobicContact CB-CD2 3.73Å; L44-M76 HydrophobicContact CD1-CE 3.53Å; L44-M76 HydrophobicContact CD2-CE 4.35Å |
| 45 | Y | 97.6 | Very high | 94.6 | Very high | 40 Ų | 40 | 47 Ų | 47 | 16% | 0.157 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 122.6 | 176.1 | -70.9 | -86 | 0 | 0 | 0 | 110.5 | T37 L38 V40 F43 G85 F88 R89 L92 | T37-Y45 CarbonylContact C-O 3.58Å; T37-Y45 WeakPolarHBondContact CA-O 3.44Å; L38-Y45 PolarHBondContact N-O 3.48Å; L38-Y45 PolarHBondContact O-N 2.98Å; V40-Y45 HydrophobicContact CB-CD2 4.36Å; V40-Y45 HydrophobicContact CG2-CD2 4.16Å; F43-Y45 HydrophobicContact CB-CD2 4.23Å; F43-Y45 HydrophobicContact CB-CE2 3.55Å; F43-Y45 WeakPolarHBondContact O-CD2 3.49Å; Y45-G85 PolarHBondContact OH-O 3.01Å; Y45-F88 HydrophobicContact CD1-CD1 4.07Å; Y45-F88 HydrophobicContact CD1-CE1 4.42Å; Y45-F88 AromaticContact CD2-CD1 3.5Å; Y45-F88 HydrophobicContact CD2-CD1 3.5Å; Y45-F88 VanDerWaalsContact CD2-CD1 3.5Å; Y45-F88 HydrophobicContact CD2-CE1 4.04Å; Y45-F88 HydrophobicContact CE1-CD1 4.33Å; Y45-F88 HydrophobicContact CE2-CB 4.3Å; Y45-F88 AromaticContact CE2-CD1 3.78Å; Y45-F88 HydrophobicContact CE2-CD1 3.78Å; Y45-F88 HydrophobicContact CE2-CG 4.5Å; Y45-F88 AromaticContact CG-CD1 3.66Å; Y45-F88 HydrophobicContact CG-CD1 3.66Å; Y45-F88 AromaticContact CG-CE1 3.87Å; Y45-F88 HydrophobicContact CG-CE1 3.87Å; Y45-R89 HydrophobicContact CE1-CB 4.13Å; Y45-L92 HydrophobicContact CD1-CD2 3.87Å; Y45-L92 HydrophobicContact CG-CD2 4.41Å |
| 46 | T | 96.1 | Very high | 94.5 | Very high | 77 Ų | 77 | 51.7 Ų | 51.7 | 47% | 0.472 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129.5 | 172.8 | -53.5 | 0 | 0 | 0 | 0 | 109.9 | T37 | T37-T46 PolarHBondContact OG1-OG1 3.45Å; T37-T46 VanDerWaalsContact OG1-OG1 3.08Å |
| 47 | A | 95.5 | Very high | 94.2 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 7% | 0.066 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 162.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T35 I36 L52 L92 | T35-A47 CarbonylContact C-O 3.51Å; T35-A47 WeakPolarHBondContact CA-O 3.34Å; T35-A47 WeakPolarHBondContact CB-O 3.29Å; I36-A47 PolarHBondContact N-O 3.45Å; I36-A47 PolarHBondContact O-N 3.07Å; A47-L52 HydrophobicContact CB-CD2 4.32Å; A47-L52 HydrophobicContact CB-CG 4.35Å; A47-L92 HydrophobicContact CB-CD1 3.76Å; A47-L92 HydrophobicContact CB-CD2 4.39Å |
| 48 | H | 95.2 | Very high | 94.2 | Very high | 104 Ų | 104 | 50.8 Ų | 50.8 | 48% | 0.481 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 143.5 | 168.9 | -70 | -80.6 | 0 | 0 | 0 | 110.5 | G34 T50 T51 L52 | G34-H48 CarbonylContact O-C 3.56Å; G34-H48 VanDerWaalsContact O-CA 3.29Å; G34-H48 WeakPolarHBondContact O-CA 3.33Å; H48-T50 WeakPolarHBondContact CB-OG1 3.47Å; H48-T50 PolarHBondContact O-N 2.99Å; H48-T51 WeakPolarHBondContact O-CB 3.46Å; H48-T51 PolarHBondContact O-N 2.89Å; H48-L52 PolarHBondContact O-N 2.91Å |
| 49 | R | 93.1 | Very high | 94.1 | Very high | 62 Ų | 62 | 52.1 Ų | 52.1 | 23% | 0.234 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.3 | -38.6 | 173.2 | -67 | -177.6 | -179.5 | -86.1 | -5.6 | 111.1 | S33 G34 I36 T51 L52 S53 A64 | S33-R49 PolarHBondContact O-NE 3.27Å; G34-R49 PolarHBondContact O-N 3.47Å; I36-R49 HydrophobicContact CB-CG 4.35Å; I36-R49 HydrophobicContact CG2-CG 4.14Å; R49-T51 VanDerWaalsContact C-N 3.26Å; R49-T51 PolarHBondContact O-N 3.15Å; R49-L52 PolarHBondContact O-N 3.45Å; R49-S53 WeakPolarHBondContact O-CB 3.28Å; R49-S53 PolarHBondContact O-N 2.82Å; R49-S53 PolarHBondContact O-OG 2.96Å; R49-S53 VanDerWaalsContact O-OG 3.08Å; R49-A64 PolarHBondContact NH1-O 3.26Å |
| 50 | T | 93.9 | Very high | 94 | Very high | 105 Ų | 105 | 51.3 Ų | 51.3 | 64% | 0.644 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60 | -34.3 | 175.6 | 52.5 | 0 | 0 | 0 | 0 | 112.8 | H48 K54 | H48-T50 WeakPolarHBondContact CB-OG1 3.47Å; H48-T50 PolarHBondContact O-N 2.99Å; T50-K54 PolarHBondContact O-N 3.4Å |
| 51 | T | 95.1 | Very high | 93.8 | Very high | 17 Ų | 17 | 51.6 Ų | 51.6 | 10% | 0.104 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.9 | -46.7 | 175.1 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | H48 R49 S53 K54 L92 L95 R96 | H48-T51 WeakPolarHBondContact O-CB 3.46Å; H48-T51 PolarHBondContact O-N 2.89Å; R49-T51 VanDerWaalsContact C-N 3.26Å; R49-T51 PolarHBondContact O-N 3.15Å; T51-S53 VanDerWaalsContact C-N 3.3Å; T51-S53 PolarHBondContact O-N 2.94Å; T51-K54 PolarHBondContact O-N 3.24Å; T51-L92 HydrophobicContact CG2-CD1 4.33Å; T51-L95 HydrophobicContact CG2-CB 3.86Å; T51-R96 HydrophobicContact CG2-CG 3.72Å |
| 52 | L | 94.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70 | -28.9 | -179.9 | -61.6 | -176.3 | 0 | 0 | 0 | 112.7 | I36 L38 A47 H48 R49 K54 L60 E61 A64 L92 L95 | I36-L52 HydrophobicContact CG2-CD1 3.4Å; I36-L52 VanDerWaalsContact CG2-CD1 3.4Å; L38-L52 HydrophobicContact CD1-CD1 3.9Å; L38-L52 HydrophobicContact CD1-CD2 4.44Å; L38-L52 HydrophobicContact CG-CD1 4.49Å; A47-L52 HydrophobicContact CB-CD2 4.32Å; A47-L52 HydrophobicContact CB-CG 4.35Å; H48-L52 PolarHBondContact O-N 2.91Å; R49-L52 PolarHBondContact O-N 3.45Å; L52-K54 VanDerWaalsContact C-N 3.35Å; L52-L60 HydrophobicContact CB-CB 4.31Å; L52-L60 HydrophobicContact CD2-CB 4.36Å; L52-L60 HydrophobicContact CD2-CD1 4.49Å; L52-E61 PolarHBondContact O-N 3.41Å; L52-A64 HydrophobicContact CB-CB 3.71Å; L52-A64 HydrophobicContact CD1-CB 4.14Å; L52-L92 HydrophobicContact CD2-CD1 3.96Å; L52-L95 HydrophobicContact CD2-CD1 4.07Å |
| 53 | S | 92.6 | Very high | 93.3 | Very high | 23 Ų | 23 | 50 Ų | 50 | 16% | 0.161 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 8.1 | -179.7 | -56.9 | 0 | 0 | 0 | 0 | 114.5 | R49 T51 H55 N65 | R49-S53 WeakPolarHBondContact O-CB 3.28Å; R49-S53 PolarHBondContact O-N 2.82Å; R49-S53 PolarHBondContact O-OG 2.96Å; R49-S53 VanDerWaalsContact O-OG 3.08Å; T51-S53 VanDerWaalsContact C-N 3.3Å; T51-S53 PolarHBondContact O-N 2.94Å; S53-H55 PolarHBondContact O-N 3.06Å; S53-N65 PolarHBondContact OG-OD1 2.88Å |
| 54 | K | 90.3 | Very high | 92.9 | Very high | 109 Ų | 109 | 45.5 Ų | 45.5 | 47% | 0.474 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -62.3 | -38.6 | 179.4 | -92.2 | 174.1 | 173.3 | -164.5 | 0 | 113.5 | T50 T51 L52 L95 R96 | T50-K54 PolarHBondContact O-N 3.4Å; T51-K54 PolarHBondContact O-N 3.24Å; L52-K54 VanDerWaalsContact C-N 3.35Å; K54-L95 WeakPolarHBondContact CD-O 3.49Å; K54-L95 VanDerWaalsContact CE-O 3.27Å; K54-L95 WeakPolarHBondContact CE-O 3.28Å; K54-L95 PolarHBondContact NZ-O 2.86Å; K54-R96 PolarHBondContact NZ-O 3.15Å |
| 55 | H | 90.1 | Very high | 92.4 | Very high | 40 Ų | 40 | 45.3 Ų | 45.3 | 19% | 0.185 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -102.5 | 107.6 | 178 | -65.5 | -93.9 | 0 | 0 | 0 | 109.7 | S53 S58 E61 Y94 L95 L121 E123 | S53-H55 PolarHBondContact O-N 3.06Å; H55-S58 VanDerWaalsContact O-CB 3.29Å; H55-S58 WeakPolarHBondContact O-CB 3.37Å; H55-S58 PolarHBondContact O-N 3.33Å; H55-S58 PolarHBondContact O-OG 2.96Å; H55-E61 WeakPolarHBondContact O-CB 3.49Å; H55-Y94 AromaticContact NE2-CE1 3.78Å; H55-L95 WeakPolarHBondContact CD2-CD2 3.3Å; H55-L121 HydrophobicContact CB-CD2 3.79Å; H55-E123 IonicContact CE1-OE2 3.97Å; H55-E123 PolarHBondContact CE1-OE2 3.16Å; H55-E123 VanDerWaalsContact CE1-OE2 3.3Å; H55-E123 IonicContact ND1-OE2 3.6Å |
| 56 | L | 88.9 | Confident | 91.5 | Very high | 152 Ų | 152 | 46.1 Ų | 46.1 | 80% | 0.796 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 134.2 | 179.5 | -63.5 | 176.3 | 0 | 0 | 0 | 110.8 | S58 | L56-S58 PolarHBondContact O-N 3.11Š|
| 57 | G | 86.8 | Confident | 90.4 | Very high | 37 Ų | 37 | 49.6 Ų | 49.6 | 38% | 0.381 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | -0.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E61 R120 | G57-E61 PolarHBondContact N-OE2 3.2Å; G57-R120 PolarHBondContact O-NH2 3.42Å |
| 58 | S | 93.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -67.8 | 156.6 | 170.1 | 70 | 0 | 0 | 0 | 0 | 111.1 | H55 L56 L60 E61 E62 | H55-S58 VanDerWaalsContact O-CB 3.29Å; H55-S58 WeakPolarHBondContact O-CB 3.37Å; H55-S58 PolarHBondContact O-N 3.33Å; H55-S58 PolarHBondContact O-OG 2.96Å; L56-S58 PolarHBondContact O-N 3.11Å; S58-L60 PolarHBondContact O-N 3.01Å; S58-E61 PolarHBondContact O-N 2.84Å; S58-E61 WeakPolarHBondContact OG-CB 3.35Å; S58-E61 PolarHBondContact OG-N 2.84Å; S58-E61 VanDerWaalsContact OG-N 3.13Å; S58-E62 PolarHBondContact O-N 2.93Å |
| 59 | F | 93.7 | Very high | 87.9 | Confident | 30 Ų | 30 | 51.2 Ų | 51.2 | 13% | 0.132 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.6 | -39.2 | 172.8 | 179.2 | -82.5 | 0 | 0 | 0 | 112 | L63 K68 I81 F118 Y119 | F59-L63 HydrophobicContact CE1-CD2 4.15Å; F59-L63 WeakPolarHBondContact O-CB 3.43Å; F59-L63 PolarHBondContact O-N 3.48Å; F59-L63 VanDerWaalsContact O-N 3.11Å; F59-K68 HydrophobicContact CD2-CD 3.95Å; F59-K68 HydrophobicContact CE2-CD 3.68Å; F59-K68 VanDerWaalsContact CE2-CE 3.42Å; F59-K68 VanDerWaalsContact CE2-NZ 3.32Å; F59-K68 HydrophobicContact CZ-CD 4.2Å; F59-I81 HydrophobicContact CE1-CD1 3.95Å; F59-I81 HydrophobicContact CE1-CG1 4.23Å; F59-F118 HydrophobicContact CE2-CZ 4.35Å; F59-Y119 HydrophobicContact CB-CD1 4.36Å; F59-Y119 HydrophobicContact CD1-CD1 4.01Å; F59-Y119 HydrophobicContact CD1-CE1 4.36Å; F59-Y119 HydrophobicContact CG-CD1 4.4Å; F59-Y119 PolarHBondContact N-O 3.45Å |
| 60 | L | 94.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -74.9 | -33.4 | -174.3 | -63.4 | 170.3 | 0 | 0 | 0 | 112.2 | L38 L52 S58 L63 A64 I81 F88 V91 L95 Y119 | L38-L60 HydrophobicContact CD1-CD2 4.17Å; L52-L60 HydrophobicContact CB-CB 4.31Å; L52-L60 HydrophobicContact CD2-CB 4.36Å; L52-L60 HydrophobicContact CD2-CD1 4.49Å; S58-L60 PolarHBondContact O-N 3.01Å; L60-L63 PolarHBondContact O-N 3.12Å; L60-A64 VanDerWaalsContact O-CB 3.25Å; L60-A64 WeakPolarHBondContact O-CB 3.48Å; L60-A64 PolarHBondContact O-N 3.42Å; L60-I81 HydrophobicContact CD2-CD1 4.32Å; L60-F88 HydrophobicContact CD1-CE2 4.02Å; L60-F88 HydrophobicContact CD1-CZ 4.36Å; L60-F88 HydrophobicContact CD2-CE2 4.06Å; L60-F88 HydrophobicContact CD2-CZ 4.18Å; L60-V91 HydrophobicContact CD1-CG1 4.17Å; L60-L95 HydrophobicContact CD1-CD1 3.56Å; L60-Y119 HydrophobicContact CD1-CD1 4.06Å; L60-Y119 HydrophobicContact CD1-CG 4.17Å; L60-Y119 HydrophobicContact CD2-CD1 3.89Å; L60-Y119 HydrophobicContact CD2-CE1 4.03Å; L60-Y119 HydrophobicContact CG-CD1 3.83Å; L60-Y119 HydrophobicContact CG-CE1 4.46Å; L60-Y119 HydrophobicContact CG-CG 4.36Å |
| 61 | E | 93.5 | Very high | 85.8 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 3% | 0.033 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.3 | -47 | 171.9 | 179.5 | -89.7 | 154.8 | 0 | 0 | 111.4 | L52 H55 G57 S58 L63 A64 N65 K67 | L52-E61 PolarHBondContact O-N 3.41Å; H55-E61 WeakPolarHBondContact O-CB 3.49Å; G57-E61 PolarHBondContact N-OE2 3.2Å; S58-E61 PolarHBondContact O-N 2.84Å; S58-E61 WeakPolarHBondContact OG-CB 3.35Å; S58-E61 PolarHBondContact OG-N 2.84Å; S58-E61 VanDerWaalsContact OG-N 3.13Å; E61-L63 VanDerWaalsContact C-N 3.25Å; E61-L63 PolarHBondContact O-N 2.98Å; E61-A64 PolarHBondContact O-N 3.17Å; E61-N65 WeakPolarHBondContact O-CB 3.44Å; E61-N65 PolarHBondContact O-N 3.01Å; E61-N65 PolarHBondContact OE1-ND2 2.91Å; E61-K67 IonicContact OE1-NZ 3.16Å; E61-K67 PolarHBondContact OE1-NZ 2.94Å; E61-K67 IonicContact OE2-NZ 3.61Å |
| 62 | E | 91.3 | Very high | 85.2 | Confident | 43 Ų | 43 | 58.8 Ų | 58.8 | 20% | 0.201 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.2 | -37.5 | 178.9 | -65.3 | 172.6 | -172.3 | 0 | 0 | 111.5 | S58 G66 K67 K68 R120 | S58-E62 PolarHBondContact O-N 2.93Å; E62-G66 CarbonylContact O-C 3.57Å; E62-G66 PolarHBondContact O-N 2.81Å; E62-G66 VanDerWaalsContact O-N 3.09Å; E62-K67 HydrophobicContact CB-CB 4.24Å; E62-K67 PolarHBondContact O-N 2.75Å; E62-K68 HydrophobicContact CB-CB 3.79Å; E62-K68 PolarHBondContact O-N 3.06Å; E62-K68 VanDerWaalsContact O-N 3.12Å; E62-K68 IonicContact OE2-NZ 3.47Å; E62-R120 IonicContact OE1-CZ 3.25Å; E62-R120 IonicContact OE1-NH1 2.77Å; E62-R120 PolarHBondContact OE1-NH1 3.16Å; E62-R120 VanDerWaalsContact OE1-NH1 3.16Å; E62-R120 IonicContact OE1-NH2 3.09Å; E62-R120 PolarHBondContact OE1-NH2 2.88Å; E62-R120 IonicContact OE2-NH2 2.67Å; E62-R120 PolarHBondContact OE2-NH2 3.4Å |
| 63 | L | 89.6 | Confident | 85 | Confident | 11 Ų | 11 | 62.8 Ų | 62.8 | 6% | 0.058 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68 | -45.7 | 176.2 | -166.9 | 71.2 | 0 | 0 | 0 | 111.6 | L38 F59 L60 E61 N65 G66 V70 P79 I81 | L38-L63 HydrophobicContact CD1-CD2 4.4Å; L38-L63 HydrophobicContact CD2-CD2 3.51Å; L38-L63 HydrophobicContact CD2-CG 4.43Å; F59-L63 HydrophobicContact CE1-CD2 4.15Å; F59-L63 WeakPolarHBondContact O-CB 3.43Å; F59-L63 PolarHBondContact O-N 3.48Å; F59-L63 VanDerWaalsContact O-N 3.11Å; L60-L63 PolarHBondContact O-N 3.12Å; E61-L63 VanDerWaalsContact C-N 3.25Å; E61-L63 PolarHBondContact O-N 2.98Å; L63-N65 VanDerWaalsContact C-N 3.3Å; L63-N65 PolarHBondContact O-N 2.75Å; L63-G66 PolarHBondContact O-N 2.74Å; L63-V70 HydrophobicContact CD1-CG2 3.73Å; L63-P79 HydrophobicContact CD1-CB 4.28Å; L63-P79 HydrophobicContact CD2-CB 4.31Å; L63-I81 HydrophobicContact CD2-CD1 3.9Å; L63-I81 HydrophobicContact CD2-CG1 4.49Å |
| 64 | A | 88.5 | Confident | 84.8 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 2% | 0.017 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.4 | -30.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R49 L52 L60 E61 | R49-A64 PolarHBondContact NH1-O 3.26Å; L52-A64 HydrophobicContact CB-CB 3.71Å; L52-A64 HydrophobicContact CD1-CB 4.14Å; L60-A64 VanDerWaalsContact O-CB 3.25Å; L60-A64 WeakPolarHBondContact O-CB 3.48Å; L60-A64 PolarHBondContact O-N 3.42Å; E61-A64 PolarHBondContact O-N 3.17Å |
| 65 | N | 85.6 | Confident | 84.7 | Confident | 84 Ų | 84 | 63.8 Ų | 63.8 | 45% | 0.449 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -2.2 | 177.8 | -70.1 | -19 | 0 | 0 | 0 | 113.2 | S53 E61 L63 K67 | S53-N65 PolarHBondContact OG-OD1 2.88Å; E61-N65 WeakPolarHBondContact O-CB 3.44Å; E61-N65 PolarHBondContact O-N 3.01Å; E61-N65 PolarHBondContact OE1-ND2 2.91Å; L63-N65 VanDerWaalsContact C-N 3.3Å; L63-N65 PolarHBondContact O-N 2.75Å; N65-K67 HydrophobicContact CB-CD 4.39Å; N65-K67 HydrophobicContact CB-CG 4.2Å; N65-K67 PolarHBondContact O-N 3.22Å |
| 66 | G | 79.6 | Confident | 84.6 | Confident | 58 Ų | 58 | 67.8 Ų | 67.8 | 60% | 0.598 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 16.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | E62 L63 K68 | E62-G66 CarbonylContact O-C 3.57Å; E62-G66 PolarHBondContact O-N 2.81Å; E62-G66 VanDerWaalsContact O-N 3.09Å; L63-G66 PolarHBondContact O-N 2.74Å; G66-K68 VanDerWaalsContact C-N 3.31Å |
| 67 | K | 72.6 | Confident | 84.5 | Confident | 149 Ų | 149 | 62.8 Ų | 62.8 | 65% | 0.648 | 37% | 0.372 | S | S | * | . | trans | -72.9 | -28.8 | 174.3 | -66.3 | 176.2 | -178.2 | 165.6 | 0 | 111.3 | E61 E62 N65 | E61-K67 IonicContact OE1-NZ 3.16Å; E61-K67 PolarHBondContact OE1-NZ 2.94Å; E61-K67 IonicContact OE2-NZ 3.61Å; E62-K67 HydrophobicContact CB-CB 4.24Å; E62-K67 PolarHBondContact O-N 2.75Å; N65-K67 HydrophobicContact CB-CD 4.39Å; N65-K67 HydrophobicContact CB-CG 4.2Å; N65-K67 PolarHBondContact O-N 3.22Å | ||
| 68 | K | 73.4 | Confident | 84.7 | Confident | 62 Ų | 62 | 62.4 Ų | 62.4 | 27% | 0.27 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -97 | 127.5 | 174.1 | -164.7 | 165.8 | -158.3 | 145.9 | 0 | 110.2 | F59 E62 G66 V70 | F59-K68 HydrophobicContact CD2-CD 3.95Å; F59-K68 HydrophobicContact CE2-CD 3.68Å; F59-K68 VanDerWaalsContact CE2-CE 3.42Å; F59-K68 VanDerWaalsContact CE2-NZ 3.32Å; F59-K68 HydrophobicContact CZ-CD 4.2Å; E62-K68 HydrophobicContact CB-CB 3.79Å; E62-K68 PolarHBondContact O-N 3.06Å; E62-K68 VanDerWaalsContact O-N 3.12Å; E62-K68 IonicContact OE2-NZ 3.47Å; G66-K68 VanDerWaalsContact C-N 3.31Å; K68-V70 PolarHBondContact O-N 3.39Å |
| 69 | A | 65.7 | Low | 84.7 | Confident | 85 Ų | 85 | 63.2 Ų | 63.2 | 70% | 0.702 | 37% | 0.366 | S | S | * | . | trans | -62.8 | 120.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q71 | A69-Q71 PolarHBondContact O-N 3.01Š| ||
| 70 | V | 71.7 | Confident | 84.7 | Confident | 59 Ų | 59 | 65.2 Ų | 65.2 | 36% | 0.358 | 38% | 0.375 | S | S | . | . | trans | -66.5 | 104.4 | 170.2 | 178.2 | 0 | 0 | 0 | 0 | 106.8 | L63 K68 H72 T73 P79 | L63-V70 HydrophobicContact CD1-CG2 3.73Å; K68-V70 PolarHBondContact O-N 3.39Å; V70-H72 VanDerWaalsContact C-N 3.31Å; V70-H72 WeakPolarHBondContact CG1-O 3.22Å; V70-H72 PolarHBondContact O-N 2.99Å; V70-T73 HydrophobicContact CG1-CG2 3.69Å; V70-P79 HydrophobicContact CG1-CB 3.72Å; V70-P79 HydrophobicContact CG1-CG 4.16Å; V70-P79 HydrophobicContact CG2-CB 4.01Å; V70-P79 HydrophobicContact CG2-CG 3.91Å | ||
| 71 | Q | 70.6 | Confident | 84.7 | Confident | 162 Ų | 162 | 65.5 Ų | 65.5 | 76% | 0.757 | 38% | 0.376 | S | S | * | . | trans | -67.7 | -34.9 | -176.6 | -68.6 | -178.3 | 7.8 | 0 | 0 | 111.8 | A69 | A69-Q71 PolarHBondContact O-N 3.01Š| ||
| 72 | H | 83.2 | Confident | 84.8 | Confident | 122 Ų | 122 | 71.6 Ų | 71.6 | 57% | 0.565 | 41% | 0.409 | S | S | * | . | trans | -137.7 | 138.5 | -177.5 | -60.1 | -63.7 | 0 | 0 | 0 | 110.3 | V70 F80 | V70-H72 VanDerWaalsContact C-N 3.31Å; V70-H72 WeakPolarHBondContact CG1-O 3.22Å; V70-H72 PolarHBondContact O-N 2.99Å; H72-F80 HydrophobicContact CB-CB 4.19Å; H72-F80 HydrophobicContact CB-CD1 4.25Å; H72-F80 WeakPolarHBondContact O-CB 3.17Å; H72-F80 PolarHBondContact O-N 3.22Å | ||
| 73 | T | 89.4 | Confident | 85.1 | Confident | 83 Ų | 83 | 73.1 Ų | 73.1 | 51% | 0.509 | 41% | 0.413 | S | S | . | . | B | Isolated β-bridge | trans | -118.4 | 149.6 | 169.5 | 55 | 0 | 0 | 0 | 0 | 109.5 | V70 N78 | V70-T73 HydrophobicContact CG1-CG2 3.69Å; T73-N78 CarbonylContact C-O 3.58Å; T73-N78 WeakPolarHBondContact CA-O 3.27Å; T73-N78 WeakPolarHBondContact CB-O 3.42Å |
| 74 | D | 89.4 | Confident | 85.5 | Confident | 25 Ų | 25 | 75.2 Ų | 75.2 | 13% | 0.134 | 42% | 0.424 | C | S | . | . | trans | -72.2 | -180 | 171.3 | 71.5 | 11.3 | 0 | 0 | 0 | 112.1 | N39 M76 G77 N78 | N39-D74 HydrophobicContact CB-CB 4.37Å; N39-D74 WeakPolarHBondContact ND2-CB 3.3Å; N39-D74 PolarHBondContact ND2-OD2 2.98Å; D74-M76 PolarHBondContact O-N 3.42Å; D74-M76 VanDerWaalsContact O-N 3.1Å; D74-M76 WeakPolarHBondContact OD1-CA 3.39Å; D74-M76 WeakPolarHBondContact OD1-CB 3.49Å; D74-M76 PolarHBondContact OD1-N 3.27Å; D74-G77 PolarHBondContact O-N 2.96Å; D74-G77 PolarHBondContact OD1-N 2.88Å; D74-N78 PolarHBondContact N-O 3.01Å; D74-N78 PolarHBondContact OD1-N 3.15Å; D74-N78 PolarHBondContact OD1-ND2 2.93Å; D74-N78 WeakPolarHBondContact OD2-CB 3.43Å; D74-N78 PolarHBondContact OD2-ND2 3.46Å | ||
| 75 | S | 87.8 | Confident | 85.9 | Confident | 128 Ų | 128 | 75.2 Ų | 75.2 | 90% | 0.895 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -16.3 | 178.6 | 54.4 | 0 | 0 | 0 | 0 | 114.1 | ||
| 76 | M | 87.1 | Confident | 86.4 | Confident | 125 Ų | 125 | 74 Ų | 74 | 62% | 0.616 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 1.7 | 177.3 | -65 | -172.8 | -74.8 | 0 | 0 | 112.6 | L44 D74 | L44-M76 HydrophobicContact CD1-CE 3.53Å; L44-M76 HydrophobicContact CD2-CE 4.35Å; D74-M76 PolarHBondContact O-N 3.42Å; D74-M76 VanDerWaalsContact O-N 3.1Å; D74-M76 WeakPolarHBondContact OD1-CA 3.39Å; D74-M76 WeakPolarHBondContact OD1-CB 3.49Å; D74-M76 PolarHBondContact OD1-N 3.27Å |
| 77 | G | 87.9 | Confident | 87.3 | Confident | 47 Ų | 47 | 71.4 Ų | 71.4 | 49% | 0.485 | 39% | 0.393 | S | S | . | . | S | Bend | trans | 80.7 | 12.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D74 | D74-G77 PolarHBondContact O-N 2.96Å; D74-G77 PolarHBondContact OD1-N 2.88Å |
| 78 | N | 90.8 | Very high | 88.5 | Confident | 29 Ų | 29 | 64.3 Ų | 64.3 | 16% | 0.155 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 140.1 | 175.1 | -52.7 | -59.3 | 0 | 0 | 0 | 110 | T37 N39 T73 D74 F80 | T37-N78 WeakPolarHBondContact CB-OD1 3.38Å; N39-N78 HydrophobicContact CB-CB 4.47Å; T73-N78 CarbonylContact C-O 3.58Å; T73-N78 WeakPolarHBondContact CA-O 3.27Å; T73-N78 WeakPolarHBondContact CB-O 3.42Å; D74-N78 PolarHBondContact N-O 3.01Å; D74-N78 PolarHBondContact OD1-N 3.15Å; D74-N78 PolarHBondContact OD1-ND2 2.93Å; D74-N78 WeakPolarHBondContact OD2-CB 3.43Å; D74-N78 PolarHBondContact OD2-ND2 3.46Å; N78-F80 PolarHBondContact O-N 2.88Å |
| 79 | P | 92.6 | Very high | 89.6 | Confident | 17 Ų | 17 | 67.3 Ų | 67.3 | 11% | 0.11 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -52.6 | 125.2 | 170.5 | -27.2 | 35 | 0 | 0 | 0 | 112.1 | I36 T37 L38 N39 L63 V70 | I36-P79 HydrophobicContact CD1-CG 4.41Å; T37-P79 WeakPolarHBondContact O-CD 3.43Å; L38-P79 HydrophobicContact CD2-CB 4.06Å; L38-P79 HydrophobicContact CD2-CG 4.26Å; N39-P79 PolarHBondContact N-O 3.29Å; L63-P79 HydrophobicContact CD1-CB 4.28Å; L63-P79 HydrophobicContact CD2-CB 4.31Å; V70-P79 HydrophobicContact CG1-CB 3.72Å; V70-P79 HydrophobicContact CG1-CG 4.16Å; V70-P79 HydrophobicContact CG2-CB 4.01Å; V70-P79 HydrophobicContact CG2-CG 3.91Å |
| 80 | F | 94.4 | Very high | 91.2 | Very high | 71 Ų | 71 | 63.9 Ų | 63.9 | 31% | 0.311 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 134.6 | 178 | -178.7 | -105.5 | 0 | 0 | 0 | 110.9 | N39 H72 N78 D82 | N39-F80 HydrophobicContact CB-CD2 4.05Å; N39-F80 CarbonylContact O-C 3.59Å; N39-F80 VanDerWaalsContact O-CA 3.31Å; N39-F80 WeakPolarHBondContact O-CA 3.32Å; N39-F80 WeakPolarHBondContact O-CD2 3.48Å; H72-F80 HydrophobicContact CB-CB 4.19Å; H72-F80 HydrophobicContact CB-CD1 4.25Å; H72-F80 WeakPolarHBondContact O-CB 3.17Å; H72-F80 PolarHBondContact O-N 3.22Å; N78-F80 PolarHBondContact O-N 2.88Å; F80-D82 HydrophobicContact CE1-CB 3.79Å; F80-D82 HydrophobicContact CZ-CB 4.32Å |
| 81 | I | 94.8 | Very high | 92.4 | Very high | 7 Ų | 7 | 61.1 Ų | 61.1 | 4% | 0.036 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 114.6 | 177.7 | -58.8 | 174.8 | 0 | 0 | 0 | 106.8 | L38 N39 V40 G41 F59 L60 L63 R83 F118 Y119 | L38-I81 HydrophobicContact CD1-CD1 4.28Å; N39-I81 PolarHBondContact O-N 3.44Å; V40-I81 CarbonylContact C-O 3.43Å; V40-I81 WeakPolarHBondContact CA-O 3.43Å; V40-I81 HydrophobicContact CG1-CB 4.4Å; V40-I81 HydrophobicContact CG1-CG2 4.36Å; V40-I81 HydrophobicContact CG2-CB 4.3Å; V40-I81 HydrophobicContact CG2-CD1 4.22Å; G41-I81 PolarHBondContact N-O 3Å; F59-I81 HydrophobicContact CE1-CD1 3.95Å; F59-I81 HydrophobicContact CE1-CG1 4.23Å; L60-I81 HydrophobicContact CD2-CD1 4.32Å; L63-I81 HydrophobicContact CD2-CD1 3.9Å; L63-I81 HydrophobicContact CD2-CG1 4.49Å; I81-R83 HydrophobicContact CG2-CB 3.87Å; I81-R83 HydrophobicContact CG2-CG 3.47Å; I81-R83 VanDerWaalsContact CG2-CG 3.47Å; I81-R83 PolarHBondContact O-N 3.41Å; I81-F118 HydrophobicContact CG2-CE1 4.2Å; I81-Y119 HydrophobicContact CD1-CE1 4.42Å; I81-Y119 HydrophobicContact CG2-CE1 4.18Å |
| 82 | D | 95.3 | Very high | 93.7 | Very high | 135 Ų | 135 | 53.5 Ų | 53.5 | 72% | 0.722 | 29% | 0.289 | S | S | * | . | trans | -79.9 | 68.1 | -179.7 | -168.9 | 22.4 | 0 | 0 | 0 | 111.2 | F80 | F80-D82 HydrophobicContact CE1-CB 3.79Å; F80-D82 HydrophobicContact CZ-CB 4.32Å | ||
| 83 | R | 96.6 | Very high | 94.4 | Very high | 75 Ų | 75 | 50 Ų | 50 | 28% | 0.283 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -140.7 | 174 | -176.9 | -60.3 | -60.7 | -67.1 | 169.4 | -2.7 | 110.7 | V40 G41 I81 G85 E115 F118 | V40-R83 HydrophobicContact CG1-CB 4.06Å; G41-R83 VanDerWaalsContact CA-O 3.26Å; G41-R83 WeakPolarHBondContact CA-O 3.32Å; G41-R83 PolarHBondContact N-O 3.29Å; I81-R83 HydrophobicContact CG2-CB 3.87Å; I81-R83 HydrophobicContact CG2-CG 3.47Å; I81-R83 VanDerWaalsContact CG2-CG 3.47Å; I81-R83 PolarHBondContact O-N 3.41Å; R83-G85 PolarHBondContact O-N 2.83Å; R83-E115 IonicContact CZ-OE1 2.72Å; R83-E115 VanDerWaalsContact CZ-OE1 3.25Å; R83-E115 IonicContact CZ-OE2 3.85Å; R83-E115 VanDerWaalsContact CZ-OE2 3.31Å; R83-E115 IonicContact NE-OE1 3.31Å; R83-E115 PolarHBondContact NE-OE1 2.72Å; R83-E115 IonicContact NE-OE2 3.15Å; R83-E115 PolarHBondContact NE-OE2 2.97Å; R83-E115 IonicContact NH2-OE1 2.63Å; R83-E115 PolarHBondContact NH2-OE1 3.47Å; R83-E115 IonicContact NH2-OE2 3.79Å; R83-E115 PolarHBondContact NH2-OE2 3.14Å; R83-E115 VanDerWaalsContact NH2-OE2 3.09Å; R83-F118 HydrophobicContact CG-CD1 3.8Å; R83-F118 HydrophobicContact CG-CE1 3.48Å; R83-F118 VanDerWaalsContact CG-CE1 3.48Å; R83-F118 HydrophobicContact CG-CE2 4.34Å; R83-F118 HydrophobicContact CG-CG 4.38Å; R83-F118 HydrophobicContact CG-CZ 3.77Å |
| 84 | D | 97.8 | Very high | 94.8 | Very high | 55 Ų | 55 | 46.8 Ų | 46.8 | 29% | 0.294 | 25% | 0.253 | S | S | . | . | trans | -70.1 | 110.1 | -178.3 | -168.2 | -81.9 | 0 | 0 | 0 | 112.1 | P86 V87 F88 | D84-P86 VanDerWaalsContact OD1-CD 3.25Å; D84-P86 WeakPolarHBondContact OD1-CD 3.47Å; D84-V87 HydrophobicContact CB-CB 4.29Å; D84-V87 VanDerWaalsContact OD1-CB 3.26Å; D84-V87 WeakPolarHBondContact OD1-CB 3.42Å; D84-V87 VanDerWaalsContact OD1-CG2 3.24Å; D84-V87 WeakPolarHBondContact OD1-CG2 3.39Å; D84-V87 PolarHBondContact OD1-N 2.99Å; D84-F88 WeakPolarHBondContact O-CB 3.39Å; D84-F88 PolarHBondContact O-N 3.36Å | ||
| 85 | G | 97.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.2 | -53.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V40 Y45 R83 V87 F88 | V40-G85 VanDerWaalsContact O-CA 3.31Å; V40-G85 WeakPolarHBondContact O-CA 3.49Å; Y45-G85 PolarHBondContact OH-O 3.01Å; R83-G85 PolarHBondContact O-N 2.83Å; G85-V87 VanDerWaalsContact C-N 3.32Å; G85-V87 PolarHBondContact O-N 2.83Å; G85-F88 VanDerWaalsContact O-CB 3.25Å; G85-F88 WeakPolarHBondContact O-CB 3.31Å; G85-F88 PolarHBondContact O-N 3.33Å |
| 86 | P | 97.3 | Very high | 95.5 | Very high | 60 Ų | 60 | 45 Ų | 45 | 39% | 0.39 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -53.3 | -44.5 | -179 | -29.7 | 36.8 | 0 | 0 | 0 | 114.1 | F43 D84 R89 | F43-P86 HydrophobicContact CE1-CG 4.12Å; F43-P86 HydrophobicContact CE2-CG 3.98Å; F43-P86 HydrophobicContact CZ-CG 3.69Å; D84-P86 VanDerWaalsContact OD1-CD 3.25Å; D84-P86 WeakPolarHBondContact OD1-CD 3.47Å; P86-R89 WeakPolarHBondContact O-CB 3.18Å; P86-R89 PolarHBondContact O-N 2.8Å |
| 87 | V | 97.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.8 | -32.5 | 178.5 | 173.6 | 0 | 0 | 0 | 0 | 111.8 | D84 G85 R89 H90 L111 L112 E115 | D84-V87 HydrophobicContact CB-CB 4.29Å; D84-V87 VanDerWaalsContact OD1-CB 3.26Å; D84-V87 WeakPolarHBondContact OD1-CB 3.42Å; D84-V87 VanDerWaalsContact OD1-CG2 3.24Å; D84-V87 WeakPolarHBondContact OD1-CG2 3.39Å; D84-V87 PolarHBondContact OD1-N 2.99Å; G85-V87 VanDerWaalsContact C-N 3.32Å; G85-V87 PolarHBondContact O-N 2.83Å; V87-R89 PolarHBondContact O-N 2.79Å; V87-H90 WeakPolarHBondContact O-CB 3.41Å; V87-H90 PolarHBondContact O-N 3.12Å; V87-L111 HydrophobicContact CG2-CD2 3.66Å; V87-L111 HydrophobicContact CG2-CG 3.96Å; V87-L112 HydrophobicContact CG1-CB 3.94Å; V87-L112 HydrophobicContact CG1-CD1 3.72Å; V87-L112 HydrophobicContact CG1-CG 4.44Å; V87-E115 HydrophobicContact CB-CG 4.41Å; V87-E115 HydrophobicContact CG1-CB 4.23Å; V87-E115 HydrophobicContact CG1-CG 3.81Å |
| 88 | F | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.2 | -27.2 | 177.6 | -175.4 | -103.4 | 0 | 0 | 0 | 113.5 | L38 V40 Y45 L60 D84 G85 H90 V91 L92 Y119 | L38-F88 HydrophobicContact CD1-CE1 4.48Å; L38-F88 HydrophobicContact CD1-CZ 4.04Å; V40-F88 HydrophobicContact CB-CB 4.48Å; V40-F88 HydrophobicContact CB-CD1 4.48Å; V40-F88 HydrophobicContact CB-CG 4.39Å; V40-F88 HydrophobicContact CG1-CB 4.02Å; V40-F88 HydrophobicContact CG1-CD2 4.43Å; V40-F88 HydrophobicContact CG1-CG 4.15Å; V40-F88 HydrophobicContact CG2-CD1 3.83Å; V40-F88 HydrophobicContact CG2-CD2 4.33Å; V40-F88 HydrophobicContact CG2-CE1 4Å; V40-F88 HydrophobicContact CG2-CE2 4.49Å; V40-F88 HydrophobicContact CG2-CG 4Å; V40-F88 HydrophobicContact CG2-CZ 4.33Å; Y45-F88 HydrophobicContact CD1-CD1 4.07Å; Y45-F88 HydrophobicContact CD1-CE1 4.42Å; Y45-F88 AromaticContact CD2-CD1 3.5Å; Y45-F88 HydrophobicContact CD2-CD1 3.5Å; Y45-F88 VanDerWaalsContact CD2-CD1 3.5Å; Y45-F88 HydrophobicContact CD2-CE1 4.04Å; Y45-F88 HydrophobicContact CE1-CD1 4.33Å; Y45-F88 HydrophobicContact CE2-CB 4.3Å; Y45-F88 AromaticContact CE2-CD1 3.78Å; Y45-F88 HydrophobicContact CE2-CD1 3.78Å; Y45-F88 HydrophobicContact CE2-CG 4.5Å; Y45-F88 AromaticContact CG-CD1 3.66Å; Y45-F88 HydrophobicContact CG-CD1 3.66Å; Y45-F88 AromaticContact CG-CE1 3.87Å; Y45-F88 HydrophobicContact CG-CE1 3.87Å; L60-F88 HydrophobicContact CD1-CE2 4.02Å; L60-F88 HydrophobicContact CD1-CZ 4.36Å; L60-F88 HydrophobicContact CD2-CE2 4.06Å; L60-F88 HydrophobicContact CD2-CZ 4.18Å; D84-F88 WeakPolarHBondContact O-CB 3.39Å; D84-F88 PolarHBondContact O-N 3.36Å; G85-F88 VanDerWaalsContact O-CB 3.25Å; G85-F88 WeakPolarHBondContact O-CB 3.31Å; G85-F88 PolarHBondContact O-N 3.33Å; F88-H90 PolarHBondContact O-N 3.34Å; F88-V91 HydrophobicContact CD2-CB 4.16Å; F88-V91 HydrophobicContact CD2-CG1 4.36Å; F88-V91 HydrophobicContact CE2-CB 4.48Å; F88-V91 HydrophobicContact CE2-CG1 4.25Å; F88-V91 WeakPolarHBondContact O-CB 3.46Å; F88-V91 PolarHBondContact O-N 2.86Å; F88-V91 VanDerWaalsContact O-N 3.15Å; F88-L92 HydrophobicContact CD1-CB 4.48Å; F88-L92 HydrophobicContact CE1-CB 4.16Å; F88-L92 HydrophobicContact CE1-CD2 4.38Å; F88-L92 PolarHBondContact O-N 3.18Å; F88-Y119 HydrophobicContact CD2-CE1 4.29Å; F88-Y119 AromaticContact CD2-CE2 3.64Å; F88-Y119 HydrophobicContact CD2-CE2 3.64Å; F88-Y119 AromaticContact CD2-CZ 3.5Å; F88-Y119 VanDerWaalsContact CD2-CZ 3.5Å; F88-Y119 VanDerWaalsContact CD2-OH 3.29Å; F88-Y119 WeakPolarHBondContact CD2-OH 3.34Å; F88-Y119 HydrophobicContact CE2-CE1 4.02Å; F88-Y119 HydrophobicContact CE2-CE2 4.03Å; F88-Y119 AromaticContact CE2-CZ 3.7Å |
| 89 | R | 97.4 | Very high | 96.4 | Very high | 126 Ų | 126 | 46.5 Ų | 46.5 | 48% | 0.475 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -52 | -40.9 | 172.2 | -179.7 | -177.8 | 59.3 | 145.7 | -0.2 | 112.3 | Y45 P86 V87 L92 N93 | Y45-R89 HydrophobicContact CE1-CB 4.13Å; P86-R89 WeakPolarHBondContact O-CB 3.18Å; P86-R89 PolarHBondContact O-N 2.8Å; V87-R89 PolarHBondContact O-N 2.79Å; R89-L92 PolarHBondContact O-N 3.31Å; R89-N93 WeakPolarHBondContact O-CB 3.19Å; R89-N93 VanDerWaalsContact O-CG 3.27Å; R89-N93 PolarHBondContact O-N 2.75Å |
| 90 | H | 98.1 | Very high | 96.5 | Very high | 13 Ų | 13 | 47.5 Ų | 47.5 | 6% | 0.06 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.7 | -39.6 | -179.2 | -62.3 | -75.5 | 0 | 0 | 0 | 111.5 | V87 F88 L92 N93 Y94 L102 F106 L112 | V87-H90 WeakPolarHBondContact O-CB 3.41Å; V87-H90 PolarHBondContact O-N 3.12Å; F88-H90 PolarHBondContact O-N 3.34Å; H90-L92 VanDerWaalsContact C-N 3.34Å; H90-L92 PolarHBondContact O-N 3.07Å; H90-N93 PolarHBondContact O-N 2.73Å; H90-Y94 PolarHBondContact O-N 2.75Å; H90-L102 HydrophobicContact CB-CD2 4.31Å; H90-F106 AromaticContact CD2-CE2 3.95Å; H90-F106 AromaticContact NE2-CE2 3.62Å; H90-L112 HydrophobicContact CB-CD1 3.82Å; H90-L112 HydrophobicContact CB-CD2 3.97Å |
| 91 | V | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.2 | -48.8 | 171.3 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | L60 F88 N93 Y94 L95 L112 E115 Y119 L121 L124 | L60-V91 HydrophobicContact CD1-CG1 4.17Å; F88-V91 HydrophobicContact CD2-CB 4.16Å; F88-V91 HydrophobicContact CD2-CG1 4.36Å; F88-V91 HydrophobicContact CE2-CB 4.48Å; F88-V91 HydrophobicContact CE2-CG1 4.25Å; F88-V91 WeakPolarHBondContact O-CB 3.46Å; F88-V91 PolarHBondContact O-N 2.86Å; F88-V91 VanDerWaalsContact O-N 3.15Å; V91-N93 PolarHBondContact O-N 2.89Å; V91-Y94 WeakPolarHBondContact O-CB 3.49Å; V91-Y94 PolarHBondContact O-N 3.34Å; V91-L95 WeakPolarHBondContact O-CG 3.38Å; V91-L95 PolarHBondContact O-N 3.33Å; V91-L112 HydrophobicContact CG2-CD1 3.8Å; V91-E115 HydrophobicContact CG2-CB 4.4Å; V91-Y119 HydrophobicContact CG1-CD2 3.93Å; V91-Y119 HydrophobicContact CG1-CE2 4.44Å; V91-Y119 HydrophobicContact CG1-CG 4.5Å; V91-Y119 HydrophobicContact CG2-CD2 4.13Å; V91-Y119 HydrophobicContact CG2-CE2 4.26Å; V91-L121 HydrophobicContact CG1-CD1 3.55Å; V91-L124 HydrophobicContact CB-CD2 4.48Å; V91-L124 HydrophobicContact CG1-CD2 4.4Å; V91-L124 HydrophobicContact CG2-CD2 4.22Å |
| 92 | L | 97.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.9 | -36.8 | -178.6 | -175.9 | 60.2 | 0 | 0 | 0 | 112.5 | Y45 A47 T51 L52 F88 R89 H90 L95 R96 | Y45-L92 HydrophobicContact CD1-CD2 3.87Å; Y45-L92 HydrophobicContact CG-CD2 4.41Å; A47-L92 HydrophobicContact CB-CD1 3.76Å; A47-L92 HydrophobicContact CB-CD2 4.39Å; T51-L92 HydrophobicContact CG2-CD1 4.33Å; L52-L92 HydrophobicContact CD2-CD1 3.96Å; F88-L92 HydrophobicContact CD1-CB 4.48Å; F88-L92 HydrophobicContact CE1-CB 4.16Å; F88-L92 HydrophobicContact CE1-CD2 4.38Å; F88-L92 PolarHBondContact O-N 3.18Å; R89-L92 PolarHBondContact O-N 3.31Å; H90-L92 VanDerWaalsContact C-N 3.34Å; H90-L92 PolarHBondContact O-N 3.07Å; L92-L95 PolarHBondContact O-N 3.1Å; L92-R96 WeakPolarHBondContact O-CG 3.21Å; L92-R96 PolarHBondContact O-N 3.44Å; L92-R96 VanDerWaalsContact O-N 3.09Å |
| 93 | N | 97.4 | Very high | 96.3 | Very high | 48 Ų | 48 | 46.4 Ų | 46.4 | 26% | 0.257 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.5 | -41.7 | 175.3 | -75.8 | -11.8 | 0 | 0 | 0 | 111.8 | R89 H90 V91 L95 R96 T97 | R89-N93 WeakPolarHBondContact O-CB 3.19Å; R89-N93 VanDerWaalsContact O-CG 3.27Å; R89-N93 PolarHBondContact O-N 2.75Å; H90-N93 PolarHBondContact O-N 2.73Å; V91-N93 PolarHBondContact O-N 2.89Å; N93-L95 VanDerWaalsContact C-N 3.3Å; N93-L95 PolarHBondContact O-N 3.32Å; N93-R96 WeakPolarHBondContact O-CA 3.48Å; N93-R96 WeakPolarHBondContact O-CB 3.25Å; N93-R96 PolarHBondContact O-N 2.83Å; N93-R96 PolarHBondContact OD1-NH1 3.47Å; N93-T97 PolarHBondContact O-N 3.47Å; N93-T97 PolarHBondContact O-OG1 2.93Å; N93-T97 VanDerWaalsContact O-OG1 3.09Å |
| 94 | Y | 97.5 | Very high | 95.6 | Very high | 16 Ų | 16 | 49 Ų | 49 | 6% | 0.063 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.1 | -44.8 | 172.6 | 180 | -95.5 | 0 | 0 | 0 | 111.4 | H55 H90 V91 R96 T97 G98 E123 L124 | H55-Y94 AromaticContact NE2-CE1 3.78Å; H90-Y94 PolarHBondContact O-N 2.75Å; V91-Y94 WeakPolarHBondContact O-CB 3.49Å; V91-Y94 PolarHBondContact O-N 3.34Å; Y94-R96 PolarHBondContact O-N 3.18Å; Y94-T97 PolarHBondContact O-N 3.34Å; Y94-G98 VanDerWaalsContact O-CA 3.3Å; Y94-G98 WeakPolarHBondContact O-CA 3.47Å; Y94-G98 PolarHBondContact O-N 2.79Å; Y94-E123 VanDerWaalsContact OH-CB 3.28Å; Y94-E123 WeakPolarHBondContact OH-CB 3.17Å; Y94-L124 HydrophobicContact CD1-CB 3.93Å; Y94-L124 HydrophobicContact CD1-CD1 4.17Å; Y94-L124 HydrophobicContact CD1-CD2 4.13Å; Y94-L124 HydrophobicContact CD1-CG 4.29Å; Y94-L124 HydrophobicContact CD2-CD1 3.68Å; Y94-L124 HydrophobicContact CE1-CB 3.78Å; Y94-L124 HydrophobicContact CE2-CB 4.47Å; Y94-L124 HydrophobicContact CE2-CD1 4.11Å; Y94-L124 HydrophobicContact CG-CB 4.35Å; Y94-L124 HydrophobicContact CG-CD1 3.69Å; Y94-L124 HydrophobicContact CG-CD2 4.22Å; Y94-L124 HydrophobicContact CG-CG 4.3Å |
| 95 | L | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.8 | -28.9 | 174.1 | -65.3 | 175.6 | 0 | 0 | 0 | 112.6 | T51 L52 K54 H55 L60 V91 L92 N93 L121 | T51-L95 HydrophobicContact CG2-CB 3.86Å; L52-L95 HydrophobicContact CD2-CD1 4.07Å; K54-L95 WeakPolarHBondContact CD-O 3.49Å; K54-L95 VanDerWaalsContact CE-O 3.27Å; K54-L95 WeakPolarHBondContact CE-O 3.28Å; K54-L95 PolarHBondContact NZ-O 2.86Å; H55-L95 WeakPolarHBondContact CD2-CD2 3.3Å; L60-L95 HydrophobicContact CD1-CD1 3.56Å; V91-L95 WeakPolarHBondContact O-CG 3.38Å; V91-L95 PolarHBondContact O-N 3.33Å; L92-L95 PolarHBondContact O-N 3.1Å; N93-L95 VanDerWaalsContact C-N 3.3Å; N93-L95 PolarHBondContact O-N 3.32Å; L95-L121 HydrophobicContact CD2-CD1 4.31Å; L95-L121 HydrophobicContact CD2-CD2 4.01Å |
| 96 | R | 95.9 | Very high | 94.6 | Very high | 115 Ų | 115 | 53.2 Ų | 53.2 | 43% | 0.434 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -75.1 | -47.4 | 177.6 | -71.8 | 170.1 | 178.2 | 146.5 | -4 | 112.1 | T51 K54 L92 N93 Y94 | T51-R96 HydrophobicContact CG2-CG 3.72Å; K54-R96 PolarHBondContact NZ-O 3.15Å; L92-R96 WeakPolarHBondContact O-CG 3.21Å; L92-R96 PolarHBondContact O-N 3.44Å; L92-R96 VanDerWaalsContact O-N 3.09Å; N93-R96 WeakPolarHBondContact O-CA 3.48Å; N93-R96 WeakPolarHBondContact O-CB 3.25Å; N93-R96 PolarHBondContact O-N 2.83Å; N93-R96 PolarHBondContact OD1-NH1 3.47Å; Y94-R96 PolarHBondContact O-N 3.18Å |
| 97 | T | 95.2 | Very high | 94.1 | Very high | 68 Ų | 68 | 61.5 Ų | 61.5 | 42% | 0.417 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -96.7 | -29.6 | -169.9 | 57.7 | 0 | 0 | 0 | 0 | 113.6 | N93 Y94 E99 | N93-T97 PolarHBondContact O-N 3.47Å; N93-T97 PolarHBondContact O-OG1 2.93Å; N93-T97 VanDerWaalsContact O-OG1 3.09Å; Y94-T97 PolarHBondContact O-N 3.34Å; T97-E99 VanDerWaalsContact C-N 3.25Å; T97-E99 PolarHBondContact OG1-N 3.21Å; T97-E99 VanDerWaalsContact OG1-N 3.11Å; T97-E99 PolarHBondContact OG1-O 2.87Å |
| 98 | G | 93.7 | Very high | 94 | Very high | 43 Ų | 43 | 66 Ų | 66 | 44% | 0.443 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 80.5 | 4.4 | -166.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y94 | Y94-G98 VanDerWaalsContact O-CA 3.3Å; Y94-G98 WeakPolarHBondContact O-CA 3.47Å; Y94-G98 PolarHBondContact O-N 2.79Å |
| 99 | E | 95.1 | Very high | 93.8 | Very high | 123 Ų | 123 | 66.3 Ų | 66.3 | 58% | 0.575 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -125.2 | 141.2 | -173.9 | -66.8 | -179.6 | 177.4 | 0 | 0 | 111.4 | T97 Q101 | T97-E99 VanDerWaalsContact C-N 3.25Å; T97-E99 PolarHBondContact OG1-N 3.21Å; T97-E99 VanDerWaalsContact OG1-N 3.11Å; T97-E99 PolarHBondContact OG1-O 2.87Å; E99-Q101 HydrophobicContact CB-CG 4.49Å; E99-Q101 PolarHBondContact O-N 3.48Å |
| 100 | L | 96.6 | Very high | 93.7 | Very high | 37 Ų | 37 | 61.5 Ų | 61.5 | 19% | 0.194 | 31% | 0.312 | C | S | . | . | trans | -78.7 | 108.7 | 174.8 | -178.9 | 63.7 | 0 | 0 | 0 | 110.3 | L102 L112 L124 A127 V128 W131 | L100-L102 HydrophobicContact CD1-CD1 3.92Å; L100-L102 HydrophobicContact CD1-CD2 4.04Å; L100-L102 HydrophobicContact CD1-CG 3.81Å; L100-L102 HydrophobicContact CD2-CD1 3.96Å; L100-L102 HydrophobicContact CG-CD1 3.98Å; L100-L102 HydrophobicContact CG-CG 3.98Å; L100-L112 HydrophobicContact CD1-CD2 4.07Å; L100-L124 HydrophobicContact CD1-CD1 3.82Å; L100-A127 HydrophobicContact CB-CB 4.16Å; L100-A127 HydrophobicContact CD2-CB 4.16Å; L100-A127 WeakPolarHBondContact CD2-O 3.4Å; L100-V128 HydrophobicContact CD1-CG2 3.96Å; L100-V128 HydrophobicContact CD2-CB 4.3Å; L100-V128 HydrophobicContact CD2-CG2 3.74Å; L100-W131 HydrophobicContact CD2-CB 3.82Å; L100-W131 HydrophobicContact CD2-CG 4.2Å | ||
| 101 | Q | 93.6 | Very high | 93.6 | Very high | 110 Ų | 110 | 63.3 Ų | 63.3 | 51% | 0.514 | 32% | 0.322 | S | S | . | . | trans | -115.1 | 107.2 | 179.2 | -64.6 | -178.3 | -32.4 | 0 | 0 | 110.4 | E99 | E99-Q101 HydrophobicContact CB-CG 4.49Å; E99-Q101 PolarHBondContact O-N 3.48Å | ||
| 102 | L | 94.9 | Very high | 93.6 | Very high | 24 Ų | 24 | 63.3 Ų | 63.3 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | trans | -123.8 | 144 | -178.2 | -60.8 | 176.8 | 0 | 0 | 0 | 110.8 | H90 L100 F106 L112 W131 | H90-L102 HydrophobicContact CB-CD2 4.31Å; L100-L102 HydrophobicContact CD1-CD1 3.92Å; L100-L102 HydrophobicContact CD1-CD2 4.04Å; L100-L102 HydrophobicContact CD1-CG 3.81Å; L100-L102 HydrophobicContact CD2-CD1 3.96Å; L100-L102 HydrophobicContact CG-CD1 3.98Å; L100-L102 HydrophobicContact CG-CG 3.98Å; L102-F106 HydrophobicContact CB-CB 4.17Å; L102-F106 HydrophobicContact CB-CD1 4.27Å; L102-F106 HydrophobicContact CB-CG 4.24Å; L102-F106 HydrophobicContact CD1-CD1 3.71Å; L102-F106 HydrophobicContact CD1-CE1 3.98Å; L102-F106 HydrophobicContact CD1-CG 4.49Å; L102-F106 HydrophobicContact CD2-CD1 3.93Å; L102-F106 HydrophobicContact CD2-CD2 4.47Å; L102-F106 HydrophobicContact CD2-CE1 3.81Å; L102-F106 HydrophobicContact CD2-CE2 4.41Å; L102-F106 HydrophobicContact CD2-CG 4.24Å; L102-F106 HydrophobicContact CD2-CZ 4.08Å; L102-F106 HydrophobicContact CG-CD1 4.18Å; L102-F106 HydrophobicContact CG-CE1 4.44Å; L102-L112 HydrophobicContact CD1-CD2 4.24Å; L102-L112 HydrophobicContact CD2-CD2 3.67Å; L102-W131 HydrophobicContact CB-CZ2 3.81Å; L102-W131 HydrophobicContact CD1-CD2 3.78Å; L102-W131 HydrophobicContact CD1-CE3 4.13Å; L102-W131 HydrophobicContact CD1-CG 4.21Å; L102-W131 HydrophobicContact CD1-CH2 4.25Å; L102-W131 HydrophobicContact CD1-CZ2 3.86Å; L102-W131 HydrophobicContact CD1-CZ3 4.39Å | ||
| 103 | P | 91.4 | Very high | 93.7 | Very high | 56 Ų | 56 | 67.3 Ų | 67.3 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | trans | -55.5 | 153.1 | 167.9 | -23.8 | 33.1 | 0 | 0 | 0 | 112.4 | D105 F106 | P103-D105 WeakPolarHBondContact CB-OD1 3.43Å; P103-D105 PolarHBondContact O-N 2.79Å; P103-F106 HydrophobicContact CB-CB 4.37Å; P103-F106 WeakPolarHBondContact O-CB 3.46Å; P103-F106 PolarHBondContact O-N 2.85Å; P103-F106 VanDerWaalsContact O-N 3.15Å | ||
| 104 | D | 81.3 | Confident | 93.7 | Very high | 131 Ų | 131 | 73.3 Ų | 73.3 | 70% | 0.701 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -31.3 | 178.4 | -80.5 | -40.8 | 0 | 0 | 0 | 113.8 | R135 | D104-R135 PolarHBondContact O-NH1 2.99Å; D104-R135 PolarHBondContact O-NH2 3.05Å; D104-R135 IonicContact OD1-CZ 2.74Å; D104-R135 IonicContact OD1-NH1 3.39Å; D104-R135 IonicContact OD1-NH2 2.98Å; D104-R135 PolarHBondContact OD1-NH2 3.33Å |
| 105 | D | 82 | Confident | 93.7 | Very high | 120 Ų | 120 | 72.9 Ų | 72.9 | 64% | 0.642 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | 14.3 | 179.8 | 68.1 | -33.1 | 0 | 0 | 0 | 113 | P103 R107 | P103-D105 WeakPolarHBondContact CB-OD1 3.43Å; P103-D105 PolarHBondContact O-N 2.79Å; D105-R107 WeakPolarHBondContact O-CG 3.17Å; D105-R107 PolarHBondContact O-N 2.98Å; D105-R107 VanDerWaalsContact O-N 3.12Å |
| 106 | F | 91.6 | Very high | 93.8 | Very high | 24 Ų | 24 | 72.9 Ų | 72.9 | 11% | 0.105 | 35% | 0.354 | C | S | . | . | trans | -60.9 | 115.5 | -176.8 | -172.1 | -108.9 | 0 | 0 | 0 | 111.9 | H90 L102 P103 E108 A109 L112 W131 | H90-F106 AromaticContact CD2-CE2 3.95Å; H90-F106 AromaticContact NE2-CE2 3.62Å; L102-F106 HydrophobicContact CB-CB 4.17Å; L102-F106 HydrophobicContact CB-CD1 4.27Å; L102-F106 HydrophobicContact CB-CG 4.24Å; L102-F106 HydrophobicContact CD1-CD1 3.71Å; L102-F106 HydrophobicContact CD1-CE1 3.98Å; L102-F106 HydrophobicContact CD1-CG 4.49Å; L102-F106 HydrophobicContact CD2-CD1 3.93Å; L102-F106 HydrophobicContact CD2-CD2 4.47Å; L102-F106 HydrophobicContact CD2-CE1 3.81Å; L102-F106 HydrophobicContact CD2-CE2 4.41Å; L102-F106 HydrophobicContact CD2-CG 4.24Å; L102-F106 HydrophobicContact CD2-CZ 4.08Å; L102-F106 HydrophobicContact CG-CD1 4.18Å; L102-F106 HydrophobicContact CG-CE1 4.44Å; P103-F106 HydrophobicContact CB-CB 4.37Å; P103-F106 WeakPolarHBondContact O-CB 3.46Å; P103-F106 PolarHBondContact O-N 2.85Å; P103-F106 VanDerWaalsContact O-N 3.15Å; F106-E108 VanDerWaalsContact CE1-C 3.43Å; F106-E108 HydrophobicContact CE1-CB 4.29Å; F106-E108 HydrophobicContact CE2-CB 4.11Å; F106-E108 HydrophobicContact CZ-CB 3.82Å; F106-A109 HydrophobicContact CD1-CB 4.25Å; F106-A109 HydrophobicContact CE1-CB 4.26Å; F106-A109 VanDerWaalsContact CE1-N 3.33Å; F106-L112 HydrophobicContact CE1-CB 4.24Å; F106-L112 HydrophobicContact CE1-CD2 4.07Å; F106-L112 HydrophobicContact CZ-CB 4.27Å; F106-L112 HydrophobicContact CZ-CD2 4.25Å; F106-W131 HydrophobicContact CB-CH2 3.92Å; F106-W131 HydrophobicContact CB-CZ2 4.15Å; F106-W131 HydrophobicContact CD1-CH2 4.11Å; F106-W131 WeakPolarHBondContact O-CH2 3.36Å | ||
| 107 | R | 87.4 | Confident | 93.9 | Very high | 233 Ų | 233 | 72.8 Ų | 72.8 | 88% | 0.879 | 36% | 0.362 | S | S | * | . | trans | -100.2 | -7.5 | -174.5 | -53.1 | -165.6 | 177.2 | -175.9 | -2.9 | 114.1 | D105 | D105-R107 WeakPolarHBondContact O-CG 3.17Å; D105-R107 PolarHBondContact O-N 2.98Å; D105-R107 VanDerWaalsContact O-N 3.12Å | ||
| 108 | E | 94.9 | Very high | 94 | Very high | 97 Ų | 97 | 73.1 Ų | 73.1 | 45% | 0.453 | 36% | 0.358 | S | S | . | . | trans | -104.3 | 23.2 | -169.7 | -62.8 | 177.7 | 105.3 | 0 | 0 | 112.6 | F106 G110 L111 L112 | F106-E108 VanDerWaalsContact CE1-C 3.43Å; F106-E108 HydrophobicContact CE1-CB 4.29Å; F106-E108 HydrophobicContact CE2-CB 4.11Å; F106-E108 HydrophobicContact CZ-CB 3.82Å; E108-G110 VanDerWaalsContact C-N 3.32Å; E108-G110 PolarHBondContact O-N 3.29Å; E108-L111 HydrophobicContact CB-CB 4.35Å; E108-L111 WeakPolarHBondContact O-CA 3.48Å; E108-L111 WeakPolarHBondContact O-CB 2.99Å; E108-L111 PolarHBondContact O-N 3.08Å; E108-L112 PolarHBondContact O-N 3.05Å | ||
| 109 | A | 94.4 | Very high | 94.1 | Very high | 6 Ų | 6 | 71.1 Ų | 71.1 | 5% | 0.05 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -55.6 | -43.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | F106 L111 L112 R113 V128 W131 E132 | F106-A109 HydrophobicContact CD1-CB 4.25Å; F106-A109 HydrophobicContact CE1-CB 4.26Å; F106-A109 VanDerWaalsContact CE1-N 3.33Å; A109-L111 VanDerWaalsContact C-N 3.28Å; A109-L111 PolarHBondContact O-N 2.83Å; A109-L112 PolarHBondContact O-N 2.9Å; A109-R113 WeakPolarHBondContact O-CB 3.33Å; A109-R113 PolarHBondContact O-N 2.86Å; A109-V128 HydrophobicContact CB-CG1 4.29Å; A109-V128 WeakPolarHBondContact O-CG1 3.41Å; A109-W131 HydrophobicContact CB-CE3 4.06Å; A109-W131 HydrophobicContact CB-CZ3 3.65Å; A109-E132 HydrophobicContact CB-CG 3.65Å |
| 110 | G | 94 | Very high | 94.2 | Very high | 26 Ų | 26 | 70.7 Ų | 70.7 | 27% | 0.268 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.2 | -31.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E108 R114 | E108-G110 VanDerWaalsContact C-N 3.32Å; E108-G110 PolarHBondContact O-N 3.29Å; G110-R114 WeakPolarHBondContact O-CG 3.43Å; G110-R114 PolarHBondContact O-N 3.31Å |
| 111 | L | 97.3 | Very high | 94.3 | Very high | 51 Ų | 51 | 69 Ų | 69 | 27% | 0.267 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -74.1 | -46.4 | 174.9 | 178.5 | 57.6 | 0 | 0 | 0 | 110.5 | V87 E108 A109 R113 R114 E115 | V87-L111 HydrophobicContact CG2-CD2 3.66Å; V87-L111 HydrophobicContact CG2-CG 3.96Å; E108-L111 HydrophobicContact CB-CB 4.35Å; E108-L111 WeakPolarHBondContact O-CA 3.48Å; E108-L111 WeakPolarHBondContact O-CB 2.99Å; E108-L111 PolarHBondContact O-N 3.08Å; A109-L111 VanDerWaalsContact C-N 3.28Å; A109-L111 PolarHBondContact O-N 2.83Å; L111-R113 VanDerWaalsContact C-N 3.26Å; L111-R113 PolarHBondContact O-N 3.4Å; L111-R114 WeakPolarHBondContact O-CB 3.36Å; L111-R114 PolarHBondContact O-N 2.72Å; L111-E115 PolarHBondContact O-N 2.85Å |
| 112 | L | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.2 | -40.7 | 174.8 | 178 | 59.1 | 0 | 0 | 0 | 112.2 | V87 H90 V91 L100 L102 F106 E108 A109 R114 E115 A116 V128 | V87-L112 HydrophobicContact CG1-CB 3.94Å; V87-L112 HydrophobicContact CG1-CD1 3.72Å; V87-L112 HydrophobicContact CG1-CG 4.44Å; H90-L112 HydrophobicContact CB-CD1 3.82Å; H90-L112 HydrophobicContact CB-CD2 3.97Å; V91-L112 HydrophobicContact CG2-CD1 3.8Å; L100-L112 HydrophobicContact CD1-CD2 4.07Å; L102-L112 HydrophobicContact CD1-CD2 4.24Å; L102-L112 HydrophobicContact CD2-CD2 3.67Å; F106-L112 HydrophobicContact CE1-CB 4.24Å; F106-L112 HydrophobicContact CE1-CD2 4.07Å; F106-L112 HydrophobicContact CZ-CB 4.27Å; F106-L112 HydrophobicContact CZ-CD2 4.25Å; E108-L112 PolarHBondContact O-N 3.05Å; A109-L112 PolarHBondContact O-N 2.9Å; L112-R114 VanDerWaalsContact C-N 3.33Å; L112-R114 PolarHBondContact O-N 2.74Å; L112-E115 PolarHBondContact O-N 2.63Å; L112-A116 WeakPolarHBondContact O-CB 3.46Å; L112-A116 PolarHBondContact O-N 2.85Å; L112-V128 HydrophobicContact CD2-CG2 3.85Å; L112-V128 HydrophobicContact CG-CG2 3.99Å |
| 113 | R | 98.1 | Very high | 94.5 | Very high | 85 Ų | 85 | 70.5 Ų | 70.5 | 32% | 0.321 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 175.8 | -165.1 | 175.4 | 69.3 | -126 | 2.6 | 112.2 | A109 L111 A116 D117 V125 V128 S129 E132 | A109-R113 WeakPolarHBondContact O-CB 3.33Å; A109-R113 PolarHBondContact O-N 2.86Å; L111-R113 VanDerWaalsContact C-N 3.26Å; L111-R113 PolarHBondContact O-N 3.4Å; R113-A116 PolarHBondContact O-N 3.07Å; R113-D117 PolarHBondContact O-N 3.15Å; R113-V125 HydrophobicContact CG-CG1 3.99Å; R113-V128 HydrophobicContact CB-CB 4.45Å; R113-V128 HydrophobicContact CB-CG1 3.89Å; R113-V128 HydrophobicContact CG-CG1 4.43Å; R113-S129 VanDerWaalsContact CD-OG 3.28Å; R113-S129 WeakPolarHBondContact CD-OG 3.28Å; R113-E132 IonicContact CZ-OE2 3.67Å; R113-E132 VanDerWaalsContact NH1-CD 3.28Å; R113-E132 IonicContact NH1-OE1 3.61Å; R113-E132 PolarHBondContact NH1-OE1 3.34Å; R113-E132 VanDerWaalsContact NH1-OE1 3.15Å; R113-E132 IonicContact NH1-OE2 3.72Å; R113-E132 PolarHBondContact NH1-OE2 3.24Å |
| 114 | R | 98.1 | Very high | 94.8 | Very high | 174 Ų | 174 | 67.8 Ų | 67.8 | 66% | 0.657 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -68 | -37 | 176.4 | -68.9 | 175 | -175.4 | 176.8 | 1.8 | 112.3 | G110 L111 L112 F118 | G110-R114 WeakPolarHBondContact O-CG 3.43Å; G110-R114 PolarHBondContact O-N 3.31Å; L111-R114 WeakPolarHBondContact O-CB 3.36Å; L111-R114 PolarHBondContact O-N 2.72Å; L112-R114 VanDerWaalsContact C-N 3.33Å; L112-R114 PolarHBondContact O-N 2.74Å; R114-F118 PolarHBondContact O-N 2.84Å |
| 115 | E | 98.3 | Very high | 95.6 | Very high | 7 Ų | 7 | 63.2 Ų | 63.2 | 3% | 0.033 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 173.5 | -65.6 | -48.5 | 132.8 | 0 | 0 | 111.4 | R83 V87 V91 L111 L112 D117 F118 Y119 | R83-E115 IonicContact CZ-OE1 2.72Å; R83-E115 VanDerWaalsContact CZ-OE1 3.25Å; R83-E115 IonicContact CZ-OE2 3.85Å; R83-E115 VanDerWaalsContact CZ-OE2 3.31Å; R83-E115 IonicContact NE-OE1 3.31Å; R83-E115 PolarHBondContact NE-OE1 2.72Å; R83-E115 IonicContact NE-OE2 3.15Å; R83-E115 PolarHBondContact NE-OE2 2.97Å; R83-E115 IonicContact NH2-OE1 2.63Å; R83-E115 PolarHBondContact NH2-OE1 3.47Å; R83-E115 IonicContact NH2-OE2 3.79Å; R83-E115 PolarHBondContact NH2-OE2 3.14Å; R83-E115 VanDerWaalsContact NH2-OE2 3.09Å; V87-E115 HydrophobicContact CB-CG 4.41Å; V87-E115 HydrophobicContact CG1-CB 4.23Å; V87-E115 HydrophobicContact CG1-CG 3.81Å; V91-E115 HydrophobicContact CG2-CB 4.4Å; L111-E115 PolarHBondContact O-N 2.85Å; L112-E115 PolarHBondContact O-N 2.63Å; E115-D117 VanDerWaalsContact C-N 3.28Å; E115-D117 PolarHBondContact O-N 2.99Å; E115-F118 WeakPolarHBondContact O-CB 3.22Å; E115-F118 PolarHBondContact O-N 3.23Å; E115-F118 VanDerWaalsContact O-N 3.16Å; E115-Y119 HydrophobicContact CB-CD2 4.41Å; E115-Y119 HydrophobicContact CB-CE2 4.13Å; E115-Y119 WeakPolarHBondContact O-CD2 3.3Å; E115-Y119 PolarHBondContact O-N 2.91Å |
| 116 | A | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.3 | -41.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L112 R113 Y119 R120 L121 L124 V125 | L112-A116 WeakPolarHBondContact O-CB 3.46Å; L112-A116 PolarHBondContact O-N 2.85Å; R113-A116 PolarHBondContact O-N 3.07Å; A116-Y119 PolarHBondContact O-N 3.32Å; A116-R120 PolarHBondContact O-N 3.01Å; A116-R120 VanDerWaalsContact O-N 3.15Å; A116-L121 PolarHBondContact O-N 2.94Å; A116-L124 HydrophobicContact CB-CB 4.08Å; A116-L124 HydrophobicContact CB-CD2 3.68Å; A116-L124 HydrophobicContact CB-CG 3.63Å; A116-V125 HydrophobicContact CB-CG2 3.68Å |
| 117 | D | 97.9 | Very high | 96.5 | Very high | 113 Ų | 113 | 64.4 Ų | 64.4 | 60% | 0.604 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.9 | -47 | 174.4 | -173.3 | 56.1 | 0 | 0 | 0 | 111.9 | R113 E115 Y119 R120 V125 | R113-D117 PolarHBondContact O-N 3.15Å; E115-D117 VanDerWaalsContact C-N 3.28Å; E115-D117 PolarHBondContact O-N 2.99Å; D117-Y119 VanDerWaalsContact C-N 3.31Å; D117-Y119 PolarHBondContact O-N 3.41Å; D117-R120 WeakPolarHBondContact O-CA 3.42Å; D117-R120 PolarHBondContact O-N 3.25Å; D117-V125 HydrophobicContact CB-CG2 4.15Å |
| 118 | F | 97.3 | Very high | 97 | Very high | 76 Ų | 76 | 53.3 Ų | 53.3 | 33% | 0.333 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -56.3 | -43.5 | 175.3 | 173.2 | -91 | 0 | 0 | 0 | 112.5 | F59 I81 R83 R114 E115 R120 | F59-F118 HydrophobicContact CE2-CZ 4.35Å; I81-F118 HydrophobicContact CG2-CE1 4.2Å; R83-F118 HydrophobicContact CG-CD1 3.8Å; R83-F118 HydrophobicContact CG-CE1 3.48Å; R83-F118 VanDerWaalsContact CG-CE1 3.48Å; R83-F118 HydrophobicContact CG-CE2 4.34Å; R83-F118 HydrophobicContact CG-CG 4.38Å; R83-F118 HydrophobicContact CG-CZ 3.77Å; R114-F118 PolarHBondContact O-N 2.84Å; E115-F118 WeakPolarHBondContact O-CB 3.22Å; E115-F118 PolarHBondContact O-N 3.23Å; E115-F118 VanDerWaalsContact O-N 3.16Å; F118-R120 PolarHBondContact O-N 3.4Å |
| 119 | Y | 96.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -3.5 | 177.7 | -64.1 | -62.5 | 0 | 0 | 0 | 113.6 | F59 L60 I81 F88 V91 E115 A116 D117 | F59-Y119 HydrophobicContact CB-CD1 4.36Å; F59-Y119 HydrophobicContact CD1-CD1 4.01Å; F59-Y119 HydrophobicContact CD1-CE1 4.36Å; F59-Y119 HydrophobicContact CG-CD1 4.4Å; F59-Y119 PolarHBondContact N-O 3.45Å; L60-Y119 HydrophobicContact CD1-CD1 4.06Å; L60-Y119 HydrophobicContact CD1-CG 4.17Å; L60-Y119 HydrophobicContact CD2-CD1 3.89Å; L60-Y119 HydrophobicContact CD2-CE1 4.03Å; L60-Y119 HydrophobicContact CG-CD1 3.83Å; L60-Y119 HydrophobicContact CG-CE1 4.46Å; L60-Y119 HydrophobicContact CG-CG 4.36Å; I81-Y119 HydrophobicContact CD1-CE1 4.42Å; I81-Y119 HydrophobicContact CG2-CE1 4.18Å; F88-Y119 HydrophobicContact CD2-CE1 4.29Å; F88-Y119 AromaticContact CD2-CE2 3.64Å; F88-Y119 HydrophobicContact CD2-CE2 3.64Å; F88-Y119 AromaticContact CD2-CZ 3.5Å; F88-Y119 VanDerWaalsContact CD2-CZ 3.5Å; F88-Y119 VanDerWaalsContact CD2-OH 3.29Å; F88-Y119 WeakPolarHBondContact CD2-OH 3.34Å; F88-Y119 HydrophobicContact CE2-CE1 4.02Å; F88-Y119 HydrophobicContact CE2-CE2 4.03Å; F88-Y119 AromaticContact CE2-CZ 3.7Å; V91-Y119 HydrophobicContact CG1-CD2 3.93Å; V91-Y119 HydrophobicContact CG1-CE2 4.44Å; V91-Y119 HydrophobicContact CG1-CG 4.5Å; V91-Y119 HydrophobicContact CG2-CD2 4.13Å; V91-Y119 HydrophobicContact CG2-CE2 4.26Å; E115-Y119 HydrophobicContact CB-CD2 4.41Å; E115-Y119 HydrophobicContact CB-CE2 4.13Å; E115-Y119 WeakPolarHBondContact O-CD2 3.3Å; E115-Y119 PolarHBondContact O-N 2.91Å; A116-Y119 PolarHBondContact O-N 3.32Å; D117-Y119 VanDerWaalsContact C-N 3.31Å; D117-Y119 PolarHBondContact O-N 3.41Å |
| 120 | R | 97.1 | Very high | 96.9 | Very high | 115 Ų | 115 | 55.8 Ų | 55.8 | 43% | 0.434 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 48.6 | -175.7 | -61.3 | 177.3 | -68 | 172.7 | 1.4 | 112.4 | G57 E62 A116 D117 F118 | G57-R120 PolarHBondContact O-NH2 3.42Å; E62-R120 IonicContact OE1-CZ 3.25Å; E62-R120 IonicContact OE1-NH1 2.77Å; E62-R120 PolarHBondContact OE1-NH1 3.16Å; E62-R120 VanDerWaalsContact OE1-NH1 3.16Å; E62-R120 IonicContact OE1-NH2 3.09Å; E62-R120 PolarHBondContact OE1-NH2 2.88Å; E62-R120 IonicContact OE2-NH2 2.67Å; E62-R120 PolarHBondContact OE2-NH2 3.4Å; A116-R120 PolarHBondContact O-N 3.01Å; A116-R120 VanDerWaalsContact O-N 3.15Å; D117-R120 WeakPolarHBondContact O-CA 3.42Å; D117-R120 PolarHBondContact O-N 3.25Å; F118-R120 PolarHBondContact O-N 3.4Å |
| 121 | L | 97.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | trans | -106.4 | 77.9 | 177.1 | -63.2 | 172.1 | 0 | 0 | 0 | 109.5 | H55 V91 L95 A116 E123 L124 V125 | H55-L121 HydrophobicContact CB-CD2 3.79Å; V91-L121 HydrophobicContact CG1-CD1 3.55Å; L95-L121 HydrophobicContact CD2-CD1 4.31Å; L95-L121 HydrophobicContact CD2-CD2 4.01Å; A116-L121 PolarHBondContact O-N 2.94Å; L121-E123 PolarHBondContact O-N 3.1Å; L121-L124 HydrophobicContact CB-CB 3.89Å; L121-L124 HydrophobicContact CB-CD2 4.44Å; L121-L124 HydrophobicContact CD1-CD2 4.05Å; L121-L124 WeakPolarHBondContact O-CB 3.45Å; L121-L124 PolarHBondContact O-N 2.88Å; L121-L124 VanDerWaalsContact O-N 3.09Å; L121-V125 PolarHBondContact O-N 3.27Å | ||
| 122 | G | 96.2 | Very high | 96.4 | Very high | 46 Ų | 46 | 56.6 Ų | 56.6 | 47% | 0.474 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56.4 | -46.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L124 V125 E126 | G122-L124 PolarHBondContact O-N 3.4Å; G122-V125 WeakPolarHBondContact O-CB 3.29Å; G122-V125 PolarHBondContact O-N 3.48Å; G122-E126 PolarHBondContact O-N 3.23Å |
| 123 | E | 96.2 | Very high | 95.7 | Very high | 119 Ų | 119 | 61.9 Ų | 61.9 | 56% | 0.556 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.8 | -33.3 | 177.8 | -63.8 | 177.8 | -178 | 0 | 0 | 112.4 | H55 Y94 L121 A127 | H55-E123 IonicContact CE1-OE2 3.97Å; H55-E123 PolarHBondContact CE1-OE2 3.16Å; H55-E123 VanDerWaalsContact CE1-OE2 3.3Å; H55-E123 IonicContact ND1-OE2 3.6Å; Y94-E123 VanDerWaalsContact OH-CB 3.28Å; Y94-E123 WeakPolarHBondContact OH-CB 3.17Å; L121-E123 PolarHBondContact O-N 3.1Å; E123-A127 VanDerWaalsContact O-CB 3.32Å; E123-A127 WeakPolarHBondContact O-CB 2.96Å; E123-A127 PolarHBondContact O-N 2.99Å |
| 124 | L | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -73.1 | -37.8 | 174.7 | 177.8 | 57.5 | 0 | 0 | 0 | 111.7 | V91 Y94 L100 A116 L121 G122 E126 A127 V128 | V91-L124 HydrophobicContact CB-CD2 4.48Å; V91-L124 HydrophobicContact CG1-CD2 4.4Å; V91-L124 HydrophobicContact CG2-CD2 4.22Å; Y94-L124 HydrophobicContact CD1-CB 3.93Å; Y94-L124 HydrophobicContact CD1-CD1 4.17Å; Y94-L124 HydrophobicContact CD1-CD2 4.13Å; Y94-L124 HydrophobicContact CD1-CG 4.29Å; Y94-L124 HydrophobicContact CD2-CD1 3.68Å; Y94-L124 HydrophobicContact CE1-CB 3.78Å; Y94-L124 HydrophobicContact CE2-CB 4.47Å; Y94-L124 HydrophobicContact CE2-CD1 4.11Å; Y94-L124 HydrophobicContact CG-CB 4.35Å; Y94-L124 HydrophobicContact CG-CD1 3.69Å; Y94-L124 HydrophobicContact CG-CD2 4.22Å; Y94-L124 HydrophobicContact CG-CG 4.3Å; L100-L124 HydrophobicContact CD1-CD1 3.82Å; A116-L124 HydrophobicContact CB-CB 4.08Å; A116-L124 HydrophobicContact CB-CD2 3.68Å; A116-L124 HydrophobicContact CB-CG 3.63Å; L121-L124 HydrophobicContact CB-CB 3.89Å; L121-L124 HydrophobicContact CB-CD2 4.44Å; L121-L124 HydrophobicContact CD1-CD2 4.05Å; L121-L124 WeakPolarHBondContact O-CB 3.45Å; L121-L124 PolarHBondContact O-N 2.88Å; L121-L124 VanDerWaalsContact O-N 3.09Å; G122-L124 PolarHBondContact O-N 3.4Å; L124-E126 VanDerWaalsContact C-N 3.31Å; L124-A127 PolarHBondContact O-N 3.43Å; L124-V128 HydrophobicContact CD1-CG2 3.96Å; L124-V128 HydrophobicContact CG-CG2 4.45Å; L124-V128 VanDerWaalsContact O-CG2 3.26Å; L124-V128 WeakPolarHBondContact O-CG2 3.05Å; L124-V128 PolarHBondContact O-N 3.05Å |
| 125 | V | 97.8 | Very high | 94.2 | Very high | 35 Ų | 35 | 57.3 Ų | 57.3 | 21% | 0.212 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.8 | -47.7 | 174.1 | 173.1 | 0 | 0 | 0 | 0 | 109.9 | R113 A116 D117 L121 G122 V128 S129 | R113-V125 HydrophobicContact CG-CG1 3.99Å; A116-V125 HydrophobicContact CB-CG2 3.68Å; D117-V125 HydrophobicContact CB-CG2 4.15Å; L121-V125 PolarHBondContact O-N 3.27Å; G122-V125 WeakPolarHBondContact O-CB 3.29Å; G122-V125 PolarHBondContact O-N 3.48Å; V125-V128 PolarHBondContact O-N 3.43Å; V125-S129 PolarHBondContact O-N 3.04Å; V125-S129 VanDerWaalsContact O-N 3.07Å; V125-S129 PolarHBondContact O-OG 3.3Å |
| 126 | E | 97.1 | Very high | 92.8 | Very high | 142 Ų | 142 | 59.7 Ų | 59.7 | 66% | 0.664 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.9 | -48 | 177.6 | -70.1 | 179.4 | -179.2 | 0 | 0 | 111.6 | G122 L124 V128 S129 E130 | G122-E126 PolarHBondContact O-N 3.23Å; L124-E126 VanDerWaalsContact C-N 3.31Å; E126-V128 VanDerWaalsContact C-N 3.31Å; E126-V128 PolarHBondContact O-N 3.05Å; E126-S129 PolarHBondContact O-N 3.34Å; E126-S129 VanDerWaalsContact O-N 3.16Å; E126-E130 PolarHBondContact O-N 3.24Å |
| 127 | A | 96.9 | Very high | 91.3 | Very high | 26 Ų | 26 | 63.8 Ų | 63.8 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.3 | -39.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L100 E123 L124 E130 W131 | L100-A127 HydrophobicContact CB-CB 4.16Å; L100-A127 HydrophobicContact CD2-CB 4.16Å; L100-A127 WeakPolarHBondContact CD2-O 3.4Å; E123-A127 VanDerWaalsContact O-CB 3.32Å; E123-A127 WeakPolarHBondContact O-CB 2.96Å; E123-A127 PolarHBondContact O-N 2.99Å; L124-A127 PolarHBondContact O-N 3.43Å; A127-E130 PolarHBondContact O-N 3.33Å; A127-W131 WeakPolarHBondContact O-CB 3.17Å; A127-W131 PolarHBondContact O-N 3Å |
| 128 | V | 97 | Very high | 89.7 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.3 | -41.7 | 177.4 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | L100 A109 L112 R113 L124 V125 E126 W131 E132 | L100-V128 HydrophobicContact CD1-CG2 3.96Å; L100-V128 HydrophobicContact CD2-CB 4.3Å; L100-V128 HydrophobicContact CD2-CG2 3.74Å; A109-V128 HydrophobicContact CB-CG1 4.29Å; A109-V128 WeakPolarHBondContact O-CG1 3.41Å; L112-V128 HydrophobicContact CD2-CG2 3.85Å; L112-V128 HydrophobicContact CG-CG2 3.99Å; R113-V128 HydrophobicContact CB-CB 4.45Å; R113-V128 HydrophobicContact CB-CG1 3.89Å; R113-V128 HydrophobicContact CG-CG1 4.43Å; L124-V128 HydrophobicContact CD1-CG2 3.96Å; L124-V128 HydrophobicContact CG-CG2 4.45Å; L124-V128 VanDerWaalsContact O-CG2 3.26Å; L124-V128 WeakPolarHBondContact O-CG2 3.05Å; L124-V128 PolarHBondContact O-N 3.05Å; V125-V128 PolarHBondContact O-N 3.43Å; E126-V128 VanDerWaalsContact C-N 3.31Å; E126-V128 PolarHBondContact O-N 3.05Å; V128-W131 PolarHBondContact O-N 3.29Å; V128-E132 WeakPolarHBondContact O-CG 3.04Å; V128-E132 PolarHBondContact O-N 3.32Å |
| 129 | S | 93.9 | Very high | 87.9 | Confident | 39 Ų | 39 | 70.4 Ų | 70.4 | 27% | 0.273 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64 | -39.9 | 175.6 | -75 | 0 | 0 | 0 | 0 | 112.6 | R113 V125 E126 E132 N133 | R113-S129 VanDerWaalsContact CD-OG 3.28Å; R113-S129 WeakPolarHBondContact CD-OG 3.28Å; V125-S129 PolarHBondContact O-N 3.04Å; V125-S129 VanDerWaalsContact O-N 3.07Å; V125-S129 PolarHBondContact O-OG 3.3Å; E126-S129 PolarHBondContact O-N 3.34Å; E126-S129 VanDerWaalsContact O-N 3.16Å; S129-E132 PolarHBondContact O-N 2.86Å; S129-N133 WeakPolarHBondContact O-CB 3.47Å; S129-N133 VanDerWaalsContact O-CG 3.23Å; S129-N133 PolarHBondContact O-N 2.9Å; S129-N133 PolarHBondContact O-ND2 2.86Å |
| 130 | E | 93.3 | Very high | 85.9 | Confident | 117 Ų | 117 | 77.7 Ų | 77.7 | 55% | 0.547 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 174.6 | -172.6 | 175.5 | -170 | 0 | 0 | 111.3 | E126 A127 E132 N133 Q134 | E126-E130 PolarHBondContact O-N 3.24Å; A127-E130 PolarHBondContact O-N 3.33Å; E130-E132 VanDerWaalsContact C-N 3.33Å; E130-E132 PolarHBondContact O-N 3.09Å; E130-N133 PolarHBondContact O-N 3.47Å; E130-N133 VanDerWaalsContact O-N 3.16Å; E130-Q134 HydrophobicContact CG-CG 4.33Å; E130-Q134 WeakPolarHBondContact O-CG 3.39Å; E130-Q134 PolarHBondContact O-N 2.9Å; E130-Q134 PolarHBondContact OE1-NE2 3.18Å |
| 131 | W | 92.9 | Very high | 83.9 | Confident | 41 Ų | 41 | 76.4 Ų | 76.4 | 16% | 0.155 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.1 | -42.1 | 175.8 | -177.8 | 96.8 | 0 | 0 | 0 | 112.2 | L100 L102 F106 A109 A127 V128 Q134 R135 | L100-W131 HydrophobicContact CD2-CB 3.82Å; L100-W131 HydrophobicContact CD2-CG 4.2Å; L102-W131 HydrophobicContact CB-CZ2 3.81Å; L102-W131 HydrophobicContact CD1-CD2 3.78Å; L102-W131 HydrophobicContact CD1-CE3 4.13Å; L102-W131 HydrophobicContact CD1-CG 4.21Å; L102-W131 HydrophobicContact CD1-CH2 4.25Å; L102-W131 HydrophobicContact CD1-CZ2 3.86Å; L102-W131 HydrophobicContact CD1-CZ3 4.39Å; F106-W131 HydrophobicContact CB-CH2 3.92Å; F106-W131 HydrophobicContact CB-CZ2 4.15Å; F106-W131 HydrophobicContact CD1-CH2 4.11Å; F106-W131 WeakPolarHBondContact O-CH2 3.36Å; A109-W131 HydrophobicContact CB-CE3 4.06Å; A109-W131 HydrophobicContact CB-CZ3 3.65Å; A127-W131 WeakPolarHBondContact O-CB 3.17Å; A127-W131 PolarHBondContact O-N 3Å; V128-W131 PolarHBondContact O-N 3.29Å; W131-Q134 PolarHBondContact O-N 3.29Å; W131-R135 HydrophobicContact CD2-CG 4.31Å; W131-R135 HydrophobicContact CE3-CG 4.39Å; W131-R135 HydrophobicContact CH2-CG 4.49Å; W131-R135 VanDerWaalsContact CZ2-CD 3.46Å; W131-R135 HydrophobicContact CZ2-CG 4.46Å; W131-R135 HydrophobicContact CZ3-CG 4.43Å; W131-R135 WeakPolarHBondContact O-CG 3.41Å; W131-R135 PolarHBondContact O-N 2.83Å |
| 132 | E | 88.2 | Confident | 82.2 | Confident | 52 Ų | 52 | 76.8 Ų | 76.8 | 24% | 0.243 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 175.1 | -75.1 | 175.5 | 118.4 | 0 | 0 | 111.7 | A109 R113 V128 S129 E130 R135 A136 | A109-E132 HydrophobicContact CB-CG 3.65Å; R113-E132 IonicContact CZ-OE2 3.67Å; R113-E132 VanDerWaalsContact NH1-CD 3.28Å; R113-E132 IonicContact NH1-OE1 3.61Å; R113-E132 PolarHBondContact NH1-OE1 3.34Å; R113-E132 VanDerWaalsContact NH1-OE1 3.15Å; R113-E132 IonicContact NH1-OE2 3.72Å; R113-E132 PolarHBondContact NH1-OE2 3.24Å; V128-E132 WeakPolarHBondContact O-CG 3.04Å; V128-E132 PolarHBondContact O-N 3.32Å; S129-E132 PolarHBondContact O-N 2.86Å; E130-E132 VanDerWaalsContact C-N 3.33Å; E130-E132 PolarHBondContact O-N 3.09Å; E132-R135 PolarHBondContact O-N 2.67Å; E132-A136 WeakPolarHBondContact O-CB 3.45Å; E132-A136 PolarHBondContact O-N 2.77Å |
| 133 | N | 84.1 | Confident | 80.9 | Confident | 111 Ų | 111 | 77.2 Ų | 77.2 | 59% | 0.594 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66.5 | -42.7 | 178.7 | -71.5 | -24.8 | 0 | 0 | 0 | 112 | S129 E130 A136 A137 | S129-N133 WeakPolarHBondContact O-CB 3.47Å; S129-N133 VanDerWaalsContact O-CG 3.23Å; S129-N133 PolarHBondContact O-N 2.9Å; S129-N133 PolarHBondContact O-ND2 2.86Å; E130-N133 PolarHBondContact O-N 3.47Å; E130-N133 VanDerWaalsContact O-N 3.16Å; N133-A136 PolarHBondContact O-N 2.9Å; N133-A137 WeakPolarHBondContact O-CB 3.48Å; N133-A137 PolarHBondContact O-N 3.12Å |
| 134 | Q | 84.9 | Confident | 79.3 | Confident | 97 Ų | 97 | 71.6 Ų | 71.6 | 45% | 0.453 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 175.9 | -71.1 | 177.2 | 11.7 | 0 | 0 | 111 | E130 W131 A136 A137 Q138 | E130-Q134 HydrophobicContact CG-CG 4.33Å; E130-Q134 WeakPolarHBondContact O-CG 3.39Å; E130-Q134 PolarHBondContact O-N 2.9Å; E130-Q134 PolarHBondContact OE1-NE2 3.18Å; W131-Q134 PolarHBondContact O-N 3.29Å; Q134-A136 VanDerWaalsContact C-N 3.33Å; Q134-A136 PolarHBondContact O-N 2.87Å; Q134-A137 PolarHBondContact O-N 3.35Å; Q134-Q138 WeakPolarHBondContact O-CB 3.38Å; Q134-Q138 VanDerWaalsContact O-CG 3.28Å; Q134-Q138 WeakPolarHBondContact O-CG 3.49Å; Q134-Q138 PolarHBondContact O-N 2.74Å |
| 135 | R | 79.8 | Confident | 78 | Confident | 66 Ų | 66 | 73.4 Ų | 73.4 | 25% | 0.249 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.3 | -33.4 | 174.5 | -70.9 | -157.7 | 107.9 | 99.2 | 11.8 | 113 | D104 W131 E132 R139 | D104-R135 PolarHBondContact O-NH1 2.99Å; D104-R135 PolarHBondContact O-NH2 3.05Å; D104-R135 IonicContact OD1-CZ 2.74Å; D104-R135 IonicContact OD1-NH1 3.39Å; D104-R135 IonicContact OD1-NH2 2.98Å; D104-R135 PolarHBondContact OD1-NH2 3.33Å; W131-R135 HydrophobicContact CD2-CG 4.31Å; W131-R135 HydrophobicContact CE3-CG 4.39Å; W131-R135 HydrophobicContact CH2-CG 4.49Å; W131-R135 VanDerWaalsContact CZ2-CD 3.46Å; W131-R135 HydrophobicContact CZ2-CG 4.46Å; W131-R135 HydrophobicContact CZ3-CG 4.43Å; W131-R135 WeakPolarHBondContact O-CG 3.41Å; W131-R135 PolarHBondContact O-N 2.83Å; E132-R135 PolarHBondContact O-N 2.67Å; R135-R139 WeakPolarHBondContact O-CG 3.43Å; R135-R139 PolarHBondContact O-N 3.26Å |
| 136 | A | 69.4 | Low | 76.5 | Confident | 58 Ų | 58 | 71.8 Ų | 71.8 | 48% | 0.479 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.9 | -38.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E132 N133 Q134 R139 | E132-A136 WeakPolarHBondContact O-CB 3.45Å; E132-A136 PolarHBondContact O-N 2.77Å; N133-A136 PolarHBondContact O-N 2.9Å; Q134-A136 VanDerWaalsContact C-N 3.33Å; Q134-A136 PolarHBondContact O-N 2.87Å; A136-R139 WeakPolarHBondContact O-CB 3.41Å; A136-R139 PolarHBondContact O-N 3.16Å |
| 137 | A | 65.8 | Low | 75 | Confident | 85 Ų | 85 | 65.2 Ų | 65.2 | 70% | 0.702 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -73.4 | -30.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N133 Q134 R139 | N133-A137 WeakPolarHBondContact O-CB 3.48Å; N133-A137 PolarHBondContact O-N 3.12Å; Q134-A137 PolarHBondContact O-N 3.35Å; A137-R139 VanDerWaalsContact C-N 3.31Å |
| 138 | Q | 63.4 | Low | 73.3 | Confident | 142 Ų | 142 | 64.7 Ų | 64.7 | 66% | 0.664 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -75.9 | -16.9 | 173.6 | -74.3 | 175 | 4.2 | 0 | 0 | 113.3 | Q134 E140 | Q134-Q138 WeakPolarHBondContact O-CB 3.38Å; Q134-Q138 VanDerWaalsContact O-CG 3.28Å; Q134-Q138 WeakPolarHBondContact O-CG 3.49Å; Q134-Q138 PolarHBondContact O-N 2.74Å; Q138-E140 PolarHBondContact O-N 2.98Å; Q138-E140 VanDerWaalsContact O-N 3.1Å |
| 139 | R | 59.3 | Low | 71.6 | Confident | 186 Ų | 186 | 66.8 Ų | 66.8 | 70% | 0.702 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -69.2 | 108.8 | 167.7 | -75.2 | 171.9 | 177.8 | -178.7 | 0.6 | 106.9 | R135 A136 A137 | R135-R139 WeakPolarHBondContact O-CG 3.43Å; R135-R139 PolarHBondContact O-N 3.26Å; A136-R139 WeakPolarHBondContact O-CB 3.41Å; A136-R139 PolarHBondContact O-N 3.16Å; A137-R139 VanDerWaalsContact C-N 3.31Å |
| 140 | E | 54.6 | Low | 69.9 | Low | 153 Ų | 153 | 72.8 Ų | 72.8 | 72% | 0.715 | 37% | 0.369 | S | S | * | . | trans | -49.7 | 140.8 | 167.9 | -70.9 | -162 | 161.2 | 0 | 0 | 109.1 | Q138 A142 | Q138-E140 PolarHBondContact O-N 2.98Å; Q138-E140 VanDerWaalsContact O-N 3.1Å; E140-A142 PolarHBondContact O-N 3.16Å | ||
| 141 | P | 55.6 | Low | 68.3 | Low | 88 Ų | 88 | 70.3 Ų | 70.3 | 57% | 0.571 | 36% | 0.358 | S | S | * | . | trans | -52.3 | 119.9 | 175.4 | 21.8 | -31.9 | 0 | 0 | 0 | 107.9 | F143 | P141-F143 PolarHBondContact O-N 2.92Š| ||
| 142 | A | 62.5 | Low | 66.6 | Low | 9 Ų | 9 | 76.9 Ų | 76.9 | 7% | 0.074 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 114.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | E140 C160 A163 I166 | E140-A142 PolarHBondContact O-N 3.16Å; A142-C160 PolarHBondContact N-O 2.84Å; A142-C160 VanDerWaalsContact N-O 3.08Å; A142-C160 PolarHBondContact O-N 3.47Å; A142-A163 HydrophobicContact CB-CB 3.82Å; A142-I166 HydrophobicContact CB-CB 4.14Å; A142-I166 HydrophobicContact CB-CG1 3.49Å; A142-I166 VanDerWaalsContact CB-CG1 3.49Å; A142-I166 WeakPolarHBondContact O-CG1 3.28Å |
| 143 | F | 68.3 | Low | 64.9 | Low | 56 Ų | 56 | 78.5 Ų | 78.5 | 25% | 0.246 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 148 | 174.7 | 75.3 | -86.2 | 0 | 0 | 0 | 109.8 | P141 E145 V158 Y159 N193 | P141-F143 PolarHBondContact O-N 2.92Å; F143-E145 HydrophobicContact CD2-CB 4.33Å; F143-E145 HydrophobicContact CE2-CB 4.29Å; F143-V158 CarbonylContact C-O 3.48Å; F143-V158 WeakPolarHBondContact CA-O 3.26Å; F143-Y159 HydrophobicContact CB-CD1 3.63Å; F143-Y159 HydrophobicContact CB-CE1 3.88Å; F143-Y159 HydrophobicContact CB-CG 4.31Å; F143-Y159 HydrophobicContact CG-CE1 4.39Å; F143-N193 HydrophobicContact CD1-CB 4.42Å; F143-N193 HydrophobicContact CD2-CB 4.28Å; F143-N193 HydrophobicContact CE1-CB 4.12Å; F143-N193 WeakPolarHBondContact CE1-ND2 3.41Å; F143-N193 HydrophobicContact CE2-CB 3.97Å; F143-N193 HydrophobicContact CG-CB 4.5Å; F143-N193 HydrophobicContact CZ-CB 3.88Å; F143-N193 WeakPolarHBondContact O-CA 3.41Å; F143-N193 WeakPolarHBondContact O-CB 3.35Å |
| 144 | L | 64 | Low | 63.7 | Low | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 120.5 | 168.1 | 167.9 | 64.5 | 0 | 0 | 0 | 107.7 | V146 K157 V158 I166 V169 K170 L173 N193 I195 | L144-V146 HydrophobicContact CD2-CG2 4.41Å; L144-V146 HydrophobicContact CG-CG2 4.25Å; L144-K157 CarbonylContact O-C 3.54Å; L144-V158 HydrophobicContact CB-CB 4.14Å; L144-V158 PolarHBondContact N-O 2.99Å; L144-V158 PolarHBondContact O-N 3.49Å; L144-I166 HydrophobicContact CB-CD1 3.98Å; L144-I166 HydrophobicContact CB-CG2 4.01Å; L144-V169 HydrophobicContact CD2-CB 4.32Å; L144-V169 HydrophobicContact CD2-CG1 3.58Å; L144-K170 HydrophobicContact CD1-CD 4.18Å; L144-K170 HydrophobicContact CD1-CG 3.7Å; L144-K170 HydrophobicContact CD2-CG 4.07Å; L144-K170 HydrophobicContact CG-CG 4.43Å; L144-L173 HydrophobicContact CD2-CD1 3.78Å; L144-N193 CarbonylContact C-O 3.5Å; L144-N193 VanDerWaalsContact CA-O 3.28Å; L144-N193 WeakPolarHBondContact CA-O 3.45Å; L144-I195 HydrophobicContact CD1-CB 4.32Å; L144-I195 HydrophobicContact CD1-CD1 4Å; L144-I195 HydrophobicContact CD1-CG1 3.83Å; L144-I195 HydrophobicContact CD2-CD1 4.41Å |
| 145 | E | 69.5 | Low | 62.7 | Low | 39 Ų | 39 | 73.5 Ų | 73.5 | 18% | 0.182 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 126.5 | 171.4 | -160.7 | 179.1 | -161.9 | 0 | 0 | 109.9 | F143 T147 L156 K157 N193 V194 I195 | F143-E145 HydrophobicContact CD2-CB 4.33Å; F143-E145 HydrophobicContact CE2-CB 4.29Å; E145-T147 HydrophobicContact CB-CG2 4.41Å; E145-T147 HydrophobicContact CG-CG2 3.42Å; E145-T147 VanDerWaalsContact CG-CG2 3.42Å; E145-L156 CarbonylContact C-O 3.5Å; E145-L156 WeakPolarHBondContact CA-O 3.44Å; E145-K157 HydrophobicContact CG-CG 3.8Å; E145-K157 WeakPolarHBondContact OE1-CE 3.5Å; E145-K157 IonicContact OE1-NZ 3.47Å; E145-N193 PolarHBondContact N-O 3.29Å; E145-V194 HydrophobicContact CB-CG1 4.49Å; E145-V194 HydrophobicContact CB-CG2 4.31Å; E145-V194 CarbonylContact O-C 3.54Å; E145-V194 VanDerWaalsContact O-CA 3.3Å; E145-V194 WeakPolarHBondContact O-CA 3.44Å; E145-V194 WeakPolarHBondContact O-CG1 3.4Å; E145-I195 PolarHBondContact O-N 2.97Å |
| 146 | V | 66.2 | Low | 62.3 | Low | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.006 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 100.7 | 173 | -176.2 | 0 | 0 | 0 | 0 | 108.4 | L144 G155 L156 L173 I195 F197 L221 L224 | L144-V146 HydrophobicContact CD2-CG2 4.41Å; L144-V146 HydrophobicContact CG-CG2 4.25Å; V146-G155 CarbonylContact O-C 3.53Å; V146-G155 WeakPolarHBondContact O-CA 3.49Å; V146-L156 HydrophobicContact CB-CB 4.15Å; V146-L156 HydrophobicContact CG2-CD2 4.45Å; V146-L156 PolarHBondContact N-O 2.97Å; V146-L156 PolarHBondContact O-N 3.34Å; V146-L173 HydrophobicContact CG2-CD1 4.31Å; V146-I195 VanDerWaalsContact CA-O 3.22Å; V146-I195 WeakPolarHBondContact CA-O 3.39Å; V146-I195 HydrophobicContact CG2-CB 4.44Å; V146-F197 HydrophobicContact CG1-CD2 3.89Å; V146-F197 HydrophobicContact CG1-CE2 3.62Å; V146-L221 HydrophobicContact CG1-CD1 4.48Å; V146-L224 HydrophobicContact CG1-CD1 4.5Å |
| 147 | T | 65.1 | Low | 62.6 | Low | 4 Ų | 4 | 70.7 Ų | 70.7 | 3% | 0.025 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 160.8 | -172 | 55.2 | 0 | 0 | 0 | 0 | 114 | E145 I195 F197 F200 | E145-T147 HydrophobicContact CB-CG2 4.41Å; E145-T147 HydrophobicContact CG-CG2 3.42Å; E145-T147 VanDerWaalsContact CG-CG2 3.42Å; T147-I195 PolarHBondContact N-O 3.28Å; T147-F197 PolarHBondContact O-N 3.15Å; T147-F197 VanDerWaalsContact O-N 3.15Å; T147-F200 WeakPolarHBondContact O-CE2 3.38Å |
| 148 | D | 62.3 | Low | 62.9 | Low | 15 Ų | 15 | 66.6 Ų | 66.6 | 8% | 0.08 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 144.1 | 165.2 | -174.6 | -11.3 | 0 | 0 | 0 | 110.5 | H150 F200 R208 | D148-H150 VanDerWaalsContact C-N 3.28Å; D148-H150 PolarHBondContact O-N 3.09Å; D148-H150 PolarHBondContact OD1-N 2.98Å; D148-F200 HydrophobicContact CB-CD2 3.65Å; D148-F200 HydrophobicContact CB-CE2 3.91Å; D148-F200 HydrophobicContact CB-CG 4.39Å; D148-R208 IonicContact OD2-NH1 3.91Å; D148-R208 PolarHBondContact OD2-NH1 2.88Å |
| 149 | S | 59.6 | Low | 63.5 | Low | 44 Ų | 44 | 63.6 Ų | 63.6 | 31% | 0.308 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -64.4 | -30.5 | 173.5 | 67.1 | 0 | 0 | 0 | 0 | 113.2 | F197 R198 | S149-F197 PolarHBondContact N-O 3.03Å; S149-R198 PolarHBondContact OG-O 3.41Å |
| 150 | H | 58.5 | Low | 64.1 | Low | 165 Ų | 165 | 54.9 Ų | 54.9 | 76% | 0.764 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -95.7 | -20.1 | -175.7 | -67.6 | -72.9 | 0 | 0 | 0 | 114 | D148 | D148-H150 VanDerWaalsContact C-N 3.28Å; D148-H150 PolarHBondContact O-N 3.09Å; D148-H150 PolarHBondContact OD1-N 2.98Å |
| 151 | E | 61.2 | Low | 64.8 | Low | 65 Ų | 65 | 51.7 Ų | 51.7 | 30% | 0.304 | 27% | 0.265 | S | S | . | . | trans | -149.1 | 89.9 | -177.7 | -162.5 | 171 | -144.9 | 0 | 0 | 112.2 | S153 K202 R208 | E151-S153 VanDerWaalsContact C-N 3.25Å; E151-S153 PolarHBondContact O-N 3.41Å; E151-K202 IonicContact OE1-NZ 2.75Å; E151-K202 WeakPolarHBondContact OE2-CE 3.09Å; E151-K202 IonicContact OE2-NZ 2.74Å; E151-K202 PolarHBondContact OE2-NZ 2.78Å; E151-R208 IonicContact OE2-CZ 3.3Å; E151-R208 IonicContact OE2-NH1 3.83Å; E151-R208 IonicContact OE2-NH2 2.96Å; E151-R208 PolarHBondContact OE2-NH2 3.26Å | ||
| 152 | R | 55.7 | Low | 65.6 | Low | 178 Ų | 178 | 49.8 Ų | 49.8 | 67% | 0.672 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -68.3 | -17.5 | -177.8 | -66.1 | -174.9 | -176.7 | -172.5 | 0.6 | 114.5 | Q154 | R152-Q154 VanDerWaalsContact C-N 3.29Å; R152-Q154 PolarHBondContact O-N 2.96Å |
| 153 | S | 53.5 | Low | 66 | Low | 86 Ų | 86 | 51.8 Ų | 51.8 | 60% | 0.601 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -75 | -10.2 | -172.5 | 49.5 | 0 | 0 | 0 | 0 | 114.9 | E151 | E151-S153 VanDerWaalsContact C-N 3.25Å; E151-S153 PolarHBondContact O-N 3.41Å |
| 154 | Q | 57.9 | Low | 66.3 | Low | 95 Ų | 95 | 50.7 Ų | 50.7 | 44% | 0.444 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -131.2 | 27.1 | -173.8 | -64.7 | -166.5 | -14.7 | 0 | 0 | 114.2 | R152 | R152-Q154 VanDerWaalsContact C-N 3.29Å; R152-Q154 PolarHBondContact O-N 2.96Å |
| 155 | G | 63.9 | Low | 66.8 | Low | 8 Ų | 8 | 50.9 Ų | 50.9 | 8% | 0.082 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 159.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V146 K157 | V146-G155 CarbonylContact O-C 3.53Å; V146-G155 WeakPolarHBondContact O-CA 3.49Å; G155-K157 PolarHBondContact O-N 3.07Å |
| 156 | L | 72.1 | Confident | 67.1 | Low | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 118.4 | 170 | 162 | 65.2 | 0 | 0 | 0 | 109 | E145 V146 V158 L221 K225 L256 | E145-L156 CarbonylContact C-O 3.5Å; E145-L156 WeakPolarHBondContact CA-O 3.44Å; V146-L156 HydrophobicContact CB-CB 4.15Å; V146-L156 HydrophobicContact CG2-CD2 4.45Å; V146-L156 PolarHBondContact N-O 2.97Å; V146-L156 PolarHBondContact O-N 3.34Å; L156-V158 HydrophobicContact CD1-CG2 4.12Å; L156-V158 HydrophobicContact CD2-CG2 4.18Å; L156-V158 HydrophobicContact CG-CG2 3.95Å; L156-L221 HydrophobicContact CB-CD1 3.88Å; L156-L221 HydrophobicContact CB-CG 4.47Å; L156-K225 HydrophobicContact CD1-CD 4.37Å; L156-K225 HydrophobicContact CD1-CG 3.81Å; L156-K225 HydrophobicContact CD2-CG 3.73Å; L156-K225 HydrophobicContact CG-CG 4.26Å; L156-L256 HydrophobicContact CD1-CD1 3.94Å; L156-L256 HydrophobicContact CD1-CG 3.98Å |
| 157 | K | 75.4 | Confident | 67.5 | Low | 64 Ų | 64 | 53.6 Ų | 53.6 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 130.1 | 172.5 | -69.3 | 164.6 | 179.8 | 176.6 | 0 | 110.5 | L144 E145 G155 Y159 E254 A255 L256 | L144-K157 CarbonylContact O-C 3.54Å; E145-K157 HydrophobicContact CG-CG 3.8Å; E145-K157 WeakPolarHBondContact OE1-CE 3.5Å; E145-K157 IonicContact OE1-NZ 3.47Å; G155-K157 PolarHBondContact O-N 3.07Å; K157-Y159 HydrophobicContact CB-CD2 4.2Å; K157-Y159 HydrophobicContact CB-CE2 3.51Å; K157-Y159 HydrophobicContact CD-CE2 4.37Å; K157-Y159 HydrophobicContact CG-CE2 4.39Å; K157-E254 PolarHBondContact N-O 3.35Å; K157-E254 VanDerWaalsContact N-O 3.12Å; K157-A255 HydrophobicContact CB-CB 4.01Å; K157-A255 CarbonylContact O-C 3.46Å; K157-A255 WeakPolarHBondContact O-CA 3.16Å; K157-L256 PolarHBondContact O-N 3.32Å |
| 158 | V | 73.1 | Confident | 68.1 | Low | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 112.1 | 177.7 | 179.4 | 0 | 0 | 0 | 0 | 107.1 | F143 L144 L156 I166 T228 L256 F258 | F143-V158 CarbonylContact C-O 3.48Å; F143-V158 WeakPolarHBondContact CA-O 3.26Å; L144-V158 HydrophobicContact CB-CB 4.14Å; L144-V158 PolarHBondContact N-O 2.99Å; L144-V158 PolarHBondContact O-N 3.49Å; L156-V158 HydrophobicContact CD1-CG2 4.12Å; L156-V158 HydrophobicContact CD2-CG2 4.18Å; L156-V158 HydrophobicContact CG-CG2 3.95Å; V158-I166 HydrophobicContact CG1-CD1 4.11Å; V158-T228 HydrophobicContact CG1-CG2 3.96Å; V158-T228 HydrophobicContact CG2-CG2 3.9Å; V158-L256 CarbonylContact C-O 3.59Å; V158-L256 WeakPolarHBondContact CA-O 3.37Å; V158-F258 HydrophobicContact CG1-CD2 3.87Å; V158-F258 HydrophobicContact CG1-CE2 3.83Å |
| 159 | Y | 75.4 | Confident | 68.6 | Low | 78 Ų | 78 | 59.9 Ų | 59.9 | 31% | 0.306 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 133.1 | 177.4 | -62.7 | -92.9 | 0 | 0 | 0 | 108.9 | F143 K157 A255 L256 H257 F258 | F143-Y159 HydrophobicContact CB-CD1 3.63Å; F143-Y159 HydrophobicContact CB-CE1 3.88Å; F143-Y159 HydrophobicContact CB-CG 4.31Å; F143-Y159 HydrophobicContact CG-CE1 4.39Å; K157-Y159 HydrophobicContact CB-CD2 4.2Å; K157-Y159 HydrophobicContact CB-CE2 3.51Å; K157-Y159 HydrophobicContact CD-CE2 4.37Å; K157-Y159 HydrophobicContact CG-CE2 4.39Å; Y159-A255 HydrophobicContact CD2-CB 4.25Å; Y159-A255 HydrophobicContact CE2-CB 3.94Å; Y159-L256 PolarHBondContact N-O 2.78Å; Y159-H257 AromaticContact CD2-CD2 3.28Å; Y159-H257 WeakPolarHBondContact CD2-CD2 3.49Å; Y159-H257 AromaticContact CD2-NE2 3.19Å; Y159-H257 WeakPolarHBondContact CD2-NE2 3.31Å; Y159-H257 AromaticContact CE2-NE2 3.62Å; Y159-H257 AromaticContact CG-CD2 3.81Å; Y159-H257 AromaticContact CG-NE2 3.85Å; Y159-H257 WeakPolarHBondContact O-CA 3.33Å; Y159-F258 PolarHBondContact O-N 3.42Å |
| 160 | C | 72.4 | Confident | 69.4 | Low | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.02 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 141.7 | 175.6 | -169.3 | 0 | 0 | 0 | 0 | 110.9 | A142 D162 F165 I166 F237 F258 | A142-C160 PolarHBondContact N-O 2.84Å; A142-C160 VanDerWaalsContact N-O 3.08Å; A142-C160 PolarHBondContact O-N 3.47Å; C160-D162 PolarHBondContact O-N 3.4Å; C160-D162 PolarHBondContact SG-N 2.93Å; C160-F165 HydrophobicContact CB-CD1 3.77Å; C160-F165 HydrophobicContact CB-CE1 4.47Å; C160-F165 WeakPolarHBondContact SG-CD1 3.25Å; C160-I166 HydrophobicContact CB-CD1 3.83Å; C160-I166 HydrophobicContact CB-CG1 4.06Å; C160-F237 WeakPolarHBondContact SG-CE1 3.37Å; C160-F258 WeakPolarHBondContact CA-O 3.47Å; C160-F258 HydrophobicContact CB-CB 4.47Å |
| 161 | S | 67.7 | Low | 70.1 | Confident | 86 Ų | 86 | 53.1 Ų | 53.1 | 60% | 0.601 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -71 | -10.4 | 171.8 | 58.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 162 | D | 73.4 | Confident | 70.9 | Confident | 49 Ų | 49 | 54.2 Ų | 54.2 | 26% | 0.262 | 29% | 0.29 | S | S | . | . | trans | -113.8 | 109.9 | -178.7 | -171.7 | -21 | 0 | 0 | 0 | 111.1 | C160 G164 F165 I166 F237 K260 | C160-D162 PolarHBondContact O-N 3.4Å; C160-D162 PolarHBondContact SG-N 2.93Å; D162-G164 VanDerWaalsContact C-N 3.3Å; D162-G164 PolarHBondContact O-N 3.4Å; D162-G164 WeakPolarHBondContact OD1-CA 3.13Å; D162-G164 PolarHBondContact OD1-N 3.17Å; D162-F165 HydrophobicContact CB-CB 3.99Å; D162-F165 WeakPolarHBondContact O-CB 3.36Å; D162-F165 PolarHBondContact O-N 2.85Å; D162-F165 VanDerWaalsContact O-N 3.1Å; D162-F165 PolarHBondContact OD1-N 3.22Å; D162-I166 PolarHBondContact O-N 3.15Å; D162-F237 HydrophobicContact CB-CE1 3.64Å; D162-F237 HydrophobicContact CB-CZ 3.6Å; D162-F237 WeakPolarHBondContact OD2-CZ 3.38Å; D162-K260 IonicContact OD2-NZ 3.86Å | ||
| 163 | A | 71.6 | Confident | 71.7 | Confident | 50 Ų | 50 | 45.9 Ų | 45.9 | 41% | 0.413 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.1 | -34.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A142 F165 I166 D167 | A142-A163 HydrophobicContact CB-CB 3.82Å; A163-F165 PolarHBondContact O-N 3.07Å; A163-I166 PolarHBondContact O-N 3.29Å; A163-D167 PolarHBondContact O-N 2.96Å |
| 164 | G | 73.6 | Confident | 72.6 | Confident | 34 Ų | 34 | 43 Ų | 43 | 35% | 0.351 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.2 | -26 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | D162 K168 | D162-G164 VanDerWaalsContact C-N 3.3Å; D162-G164 PolarHBondContact O-N 3.4Å; D162-G164 WeakPolarHBondContact OD1-CA 3.13Å; D162-G164 PolarHBondContact OD1-N 3.17Å; G164-K168 WeakPolarHBondContact O-CG 3.26Å; G164-K168 PolarHBondContact O-N 3.2Å |
| 165 | F | 75.6 | Confident | 73.4 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.3 | -45.1 | 171.1 | 177.1 | -105 | 0 | 0 | 0 | 111.6 | C160 D162 A163 D167 K168 V169 L231 A232 A235 F237 F258 | C160-F165 HydrophobicContact CB-CD1 3.77Å; C160-F165 HydrophobicContact CB-CE1 4.47Å; C160-F165 WeakPolarHBondContact SG-CD1 3.25Å; D162-F165 HydrophobicContact CB-CB 3.99Å; D162-F165 WeakPolarHBondContact O-CB 3.36Å; D162-F165 PolarHBondContact O-N 2.85Å; D162-F165 VanDerWaalsContact O-N 3.1Å; D162-F165 PolarHBondContact OD1-N 3.22Å; A163-F165 PolarHBondContact O-N 3.07Å; F165-D167 VanDerWaalsContact C-N 3.27Å; F165-D167 PolarHBondContact O-N 2.94Å; F165-K168 WeakPolarHBondContact O-CB 3.26Å; F165-K168 PolarHBondContact O-N 3.07Å; F165-K168 VanDerWaalsContact O-N 3.07Å; F165-V169 HydrophobicContact CD1-CG2 4Å; F165-V169 HydrophobicContact CD2-CG2 4.24Å; F165-V169 HydrophobicContact CE1-CG2 3.44Å; F165-V169 VanDerWaalsContact CE1-CG2 3.44Å; F165-V169 HydrophobicContact CE2-CG2 3.66Å; F165-V169 HydrophobicContact CG-CG2 4.38Å; F165-V169 HydrophobicContact CZ-CG2 3.22Å; F165-V169 WeakPolarHBondContact O-CG2 3.38Å; F165-V169 PolarHBondContact O-N 3.45Å; F165-L231 HydrophobicContact CE2-CB 4.42Å; F165-A232 HydrophobicContact CE1-CB 4.21Å; F165-A232 VanDerWaalsContact CE2-CA 3.43Å; F165-A232 HydrophobicContact CE2-CB 4.01Å; F165-A232 VanDerWaalsContact CZ-CA 3.43Å; F165-A232 HydrophobicContact CZ-CB 3.45Å; F165-A232 VanDerWaalsContact CZ-CB 3.45Å; F165-A235 HydrophobicContact CD2-CB 4.36Å; F165-A235 HydrophobicContact CE2-CB 4.44Å; F165-F237 HydrophobicContact CB-CE1 4.25Å; F165-F237 HydrophobicContact CB-CE2 4.04Å; F165-F237 HydrophobicContact CB-CZ 3.69Å; F165-F237 HydrophobicContact CD2-CD2 4.03Å; F165-F237 AromaticContact CD2-CE2 3.78Å; F165-F237 HydrophobicContact CD2-CE2 3.78Å; F165-F237 HydrophobicContact CD2-CZ 4.27Å; F165-F237 HydrophobicContact CE2-CD2 4.39Å; F165-F237 HydrophobicContact CG-CD2 4.4Å; F165-F237 HydrophobicContact CG-CE1 4.42Å; F165-F237 HydrophobicContact CG-CE2 4Å; F165-F237 HydrophobicContact CG-CZ 4.02Å; F165-F258 HydrophobicContact CE1-CD2 4.07Å; F165-F258 HydrophobicContact CE1-CG 4.41Å |
| 166 | I | 75.7 | Confident | 73.7 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.2 | -42.1 | 175.9 | -67.6 | -56.9 | 0 | 0 | 0 | 111.3 | A142 L144 V158 C160 D162 A163 K168 V169 K170 | A142-I166 HydrophobicContact CB-CB 4.14Å; A142-I166 HydrophobicContact CB-CG1 3.49Å; A142-I166 VanDerWaalsContact CB-CG1 3.49Å; A142-I166 WeakPolarHBondContact O-CG1 3.28Å; L144-I166 HydrophobicContact CB-CD1 3.98Å; L144-I166 HydrophobicContact CB-CG2 4.01Å; V158-I166 HydrophobicContact CG1-CD1 4.11Å; C160-I166 HydrophobicContact CB-CD1 3.83Å; C160-I166 HydrophobicContact CB-CG1 4.06Å; D162-I166 PolarHBondContact O-N 3.15Å; A163-I166 PolarHBondContact O-N 3.29Å; I166-K168 PolarHBondContact O-N 3.49Å; I166-V169 PolarHBondContact O-N 2.93Å; I166-K170 HydrophobicContact CG2-CD 4.29Å; I166-K170 HydrophobicContact CG2-CG 4.42Å; I166-K170 WeakPolarHBondContact O-CB 3.24Å; I166-K170 WeakPolarHBondContact O-CG 3.38Å; I166-K170 PolarHBondContact O-N 2.87Å |
| 167 | D | 74.8 | Confident | 73.5 | Confident | 93 Ų | 93 | 44.5 Ų | 44.5 | 50% | 0.497 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.5 | -39.4 | 175.3 | -71.8 | -27.6 | 0 | 0 | 0 | 113.2 | A163 F165 K170 G171 | A163-D167 PolarHBondContact O-N 2.96Å; F165-D167 VanDerWaalsContact C-N 3.27Å; F165-D167 PolarHBondContact O-N 2.94Å; D167-K170 PolarHBondContact O-N 3.23Å; D167-K170 WeakPolarHBondContact OD1-CE 3.34Å; D167-K170 IonicContact OD1-NZ 2.78Å; D167-K170 PolarHBondContact OD1-NZ 3.04Å; D167-G171 PolarHBondContact O-N 2.77Å |
| 168 | K | 76.2 | Confident | 73.2 | Confident | 151 Ų | 151 | 46.4 Ų | 46.4 | 66% | 0.657 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -66.1 | -43.9 | 175.2 | -74.3 | 173.7 | -178.7 | 179.2 | 0 | 112.2 | G164 F165 I166 G171 R172 | G164-K168 WeakPolarHBondContact O-CG 3.26Å; G164-K168 PolarHBondContact O-N 3.2Å; F165-K168 WeakPolarHBondContact O-CB 3.26Å; F165-K168 PolarHBondContact O-N 3.07Å; F165-K168 VanDerWaalsContact O-N 3.07Å; I166-K168 PolarHBondContact O-N 3.49Å; K168-G171 PolarHBondContact O-N 2.82Å; K168-R172 WeakPolarHBondContact O-CB 3.45Å; K168-R172 PolarHBondContact O-N 3.28Å |
| 169 | V | 74.1 | Confident | 73 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.1 | -48.9 | 175.6 | 175.2 | 0 | 0 | 0 | 0 | 109.6 | L144 F165 I166 G171 R172 L173 T228 | L144-V169 HydrophobicContact CD2-CB 4.32Å; L144-V169 HydrophobicContact CD2-CG1 3.58Å; F165-V169 HydrophobicContact CD1-CG2 4Å; F165-V169 HydrophobicContact CD2-CG2 4.24Å; F165-V169 HydrophobicContact CE1-CG2 3.44Å; F165-V169 VanDerWaalsContact CE1-CG2 3.44Å; F165-V169 HydrophobicContact CE2-CG2 3.66Å; F165-V169 HydrophobicContact CG-CG2 4.38Å; F165-V169 HydrophobicContact CZ-CG2 3.22Å; F165-V169 WeakPolarHBondContact O-CG2 3.38Å; F165-V169 PolarHBondContact O-N 3.45Å; I166-V169 PolarHBondContact O-N 2.93Å; V169-G171 PolarHBondContact O-N 2.98Å; V169-R172 PolarHBondContact O-N 2.81Å; V169-L173 HydrophobicContact CG1-CD1 3.79Å; V169-L173 HydrophobicContact CG1-CG 4.2Å; V169-L173 VanDerWaalsContact O-CG 3.32Å; V169-L173 WeakPolarHBondContact O-CG 3.42Å; V169-L173 PolarHBondContact O-N 3.38Å; V169-T228 HydrophobicContact CG1-CG2 3.82Å; V169-T228 HydrophobicContact CG2-CG2 4.27Å |
| 170 | K | 75.2 | Confident | 72.6 | Confident | 25 Ų | 25 | 53.2 Ų | 53.2 | 11% | 0.109 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -54.6 | -53.1 | 175.4 | -76.6 | -175.8 | -59.8 | -175.2 | 0 | 111.4 | L144 I166 D167 R172 L173 V174 V190 S192 I195 | L144-K170 HydrophobicContact CD1-CD 4.18Å; L144-K170 HydrophobicContact CD1-CG 3.7Å; L144-K170 HydrophobicContact CD2-CG 4.07Å; L144-K170 HydrophobicContact CG-CG 4.43Å; I166-K170 HydrophobicContact CG2-CD 4.29Å; I166-K170 HydrophobicContact CG2-CG 4.42Å; I166-K170 WeakPolarHBondContact O-CB 3.24Å; I166-K170 WeakPolarHBondContact O-CG 3.38Å; I166-K170 PolarHBondContact O-N 2.87Å; D167-K170 PolarHBondContact O-N 3.23Å; D167-K170 WeakPolarHBondContact OD1-CE 3.34Å; D167-K170 IonicContact OD1-NZ 2.78Å; D167-K170 PolarHBondContact OD1-NZ 3.04Å; K170-R172 VanDerWaalsContact C-N 3.27Å; K170-R172 PolarHBondContact O-N 2.91Å; K170-L173 PolarHBondContact O-N 3.26Å; K170-V174 WeakPolarHBondContact O-CB 3.37Å; K170-V174 WeakPolarHBondContact O-CG2 3.42Å; K170-V174 PolarHBondContact O-N 2.91Å; K170-V190 HydrophobicContact CD-CG1 4.45Å; K170-S192 PolarHBondContact NZ-O 2.98Å; K170-I195 HydrophobicContact CB-CD1 4.18Å; K170-I195 HydrophobicContact CG-CD1 3.95Å; K170-I195 HydrophobicContact CG-CG1 4.34Å |
| 171 | G | 74.6 | Confident | 72.2 | Confident | 42 Ų | 42 | 53.3 Ų | 53.3 | 43% | 0.433 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.9 | -39.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D167 K168 V169 Q175 | D167-G171 PolarHBondContact O-N 2.77Å; K168-G171 PolarHBondContact O-N 2.82Å; V169-G171 PolarHBondContact O-N 2.98Å; G171-Q175 WeakPolarHBondContact O-CB 3.48Å; G171-Q175 PolarHBondContact O-N 2.85Å |
| 172 | R | 76.4 | Confident | 71.7 | Confident | 88 Ų | 88 | 56.2 Ų | 56.2 | 33% | 0.332 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -71.2 | -44.7 | 178 | -176.4 | 54.7 | 174.8 | 172.9 | 4.8 | 112.7 | K168 V169 K170 V174 Q175 I176 E227 L231 | K168-R172 WeakPolarHBondContact O-CB 3.45Å; K168-R172 PolarHBondContact O-N 3.28Å; V169-R172 PolarHBondContact O-N 2.81Å; K170-R172 VanDerWaalsContact C-N 3.27Å; K170-R172 PolarHBondContact O-N 2.91Å; R172-V174 VanDerWaalsContact C-N 3.3Å; R172-V174 PolarHBondContact O-N 3.13Å; R172-Q175 VanDerWaalsContact NH1-OE1 3.16Å; R172-Q175 WeakPolarHBondContact O-CB 3.28Å; R172-Q175 PolarHBondContact O-N 2.98Å; R172-Q175 VanDerWaalsContact O-N 3.15Å; R172-I176 HydrophobicContact CG-CD1 4.07Å; R172-I176 WeakPolarHBondContact O-CG1 3.29Å; R172-I176 PolarHBondContact O-N 3.1Å; R172-E227 HydrophobicContact CG-CG 4.41Å; R172-E227 IonicContact CZ-OE1 2.78Å; R172-E227 IonicContact NE-OE1 3.06Å; R172-E227 PolarHBondContact NE-OE1 3.39Å; R172-E227 IonicContact NH2-OE1 3.48Å; R172-E227 PolarHBondContact NH2-OE1 3.17Å; R172-L231 HydrophobicContact CB-CD1 3.68Å; R172-L231 HydrophobicContact CG-CD1 3.51Å; R172-L231 HydrophobicContact CG-CD2 4.12Å; R172-L231 HydrophobicContact CG-CG 4.33Å |
| 173 | L | 72.9 | Confident | 70.8 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.9 | -44 | 175.2 | -67.6 | 173.8 | 0 | 0 | 0 | 110.4 | L144 V146 V169 K170 Q175 I176 S177 I195 L224 | L144-L173 HydrophobicContact CD2-CD1 3.78Å; V146-L173 HydrophobicContact CG2-CD1 4.31Å; V169-L173 HydrophobicContact CG1-CD1 3.79Å; V169-L173 HydrophobicContact CG1-CG 4.2Å; V169-L173 VanDerWaalsContact O-CG 3.32Å; V169-L173 WeakPolarHBondContact O-CG 3.42Å; V169-L173 PolarHBondContact O-N 3.38Å; K170-L173 PolarHBondContact O-N 3.26Å; L173-Q175 VanDerWaalsContact C-N 3.34Å; L173-Q175 PolarHBondContact O-N 3.44Å; L173-I176 PolarHBondContact O-N 3.31Å; L173-S177 WeakPolarHBondContact O-CB 3.48Å; L173-S177 PolarHBondContact O-N 3.12Å; L173-S177 PolarHBondContact O-OG 3.11Å; L173-I195 HydrophobicContact CB-CD1 4.07Å; L173-I195 HydrophobicContact CD1-CD1 4.02Å; L173-L224 HydrophobicContact CD2-CB 4.09Å; L173-L224 HydrophobicContact CD2-CD2 3.66Å; L173-L224 HydrophobicContact CD2-CG 4.42Å |
| 174 | V | 72.7 | Confident | 70 | Confident | 25 Ų | 25 | 57.4 Ų | 57.4 | 15% | 0.152 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.4 | -45.4 | 173.2 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | K170 R172 S177 K178 F184 F188 V190 | K170-V174 WeakPolarHBondContact O-CB 3.37Å; K170-V174 WeakPolarHBondContact O-CG2 3.42Å; K170-V174 PolarHBondContact O-N 2.91Å; R172-V174 VanDerWaalsContact C-N 3.3Å; R172-V174 PolarHBondContact O-N 3.13Å; V174-S177 PolarHBondContact O-N 3.34Å; V174-K178 HydrophobicContact CG1-CD 4.22Å; V174-K178 HydrophobicContact CG1-CG 4.47Å; V174-K178 WeakPolarHBondContact O-CB 3.45Å; V174-K178 VanDerWaalsContact O-CG 3.31Å; V174-K178 WeakPolarHBondContact O-CG 2.97Å; V174-K178 PolarHBondContact O-N 3.09Å; V174-F184 HydrophobicContact CG1-CE2 3.88Å; V174-F184 HydrophobicContact CG1-CZ 4.22Å; V174-F188 HydrophobicContact CG1-CZ 4.35Å; V174-F188 HydrophobicContact CG2-CE2 4.01Å; V174-F188 HydrophobicContact CG2-CZ 4.38Å; V174-V190 HydrophobicContact CG2-CG2 3.99Å |
| 175 | Q | 74.6 | Confident | 69 | Low | 111 Ų | 111 | 59.4 Ų | 59.4 | 52% | 0.519 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 179.8 | -170.5 | -174.9 | 14.5 | 0 | 0 | 112.2 | G171 R172 L173 K178 S179 | G171-Q175 WeakPolarHBondContact O-CB 3.48Å; G171-Q175 PolarHBondContact O-N 2.85Å; R172-Q175 VanDerWaalsContact NH1-OE1 3.16Å; R172-Q175 WeakPolarHBondContact O-CB 3.28Å; R172-Q175 PolarHBondContact O-N 2.98Å; R172-Q175 VanDerWaalsContact O-N 3.15Å; L173-Q175 VanDerWaalsContact C-N 3.34Å; L173-Q175 PolarHBondContact O-N 3.44Å; Q175-K178 WeakPolarHBondContact O-CB 3.31Å; Q175-K178 PolarHBondContact O-N 3.29Å; Q175-S179 PolarHBondContact O-N 3.29Å |
| 176 | I | 70 | Confident | 68.5 | Low | 23 Ų | 23 | 65.5 Ų | 65.5 | 12% | 0.118 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.7 | -47.3 | 176.3 | -68.4 | 166 | 0 | 0 | 0 | 109.9 | R172 L173 K178 S179 R180 E227 | R172-I176 HydrophobicContact CG-CD1 4.07Å; R172-I176 WeakPolarHBondContact O-CG1 3.29Å; R172-I176 PolarHBondContact O-N 3.1Å; L173-I176 PolarHBondContact O-N 3.31Å; I176-K178 VanDerWaalsContact C-N 3.33Å; I176-K178 PolarHBondContact O-N 3.41Å; I176-S179 PolarHBondContact O-N 3.13Å; I176-S179 VanDerWaalsContact O-N 3.11Å; I176-S179 PolarHBondContact O-OG 3.3Å; I176-R180 PolarHBondContact O-N 3.3Å; I176-E227 HydrophobicContact CD1-CB 4.41Å; I176-E227 HydrophobicContact CD1-CG 3.56Å |
| 177 | S | 68.4 | Low | 68.1 | Low | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.1 | -46.6 | 175.6 | -62.7 | 0 | 0 | 0 | 0 | 110.9 | L173 V174 S179 R180 L181 | L173-S177 WeakPolarHBondContact O-CB 3.48Å; L173-S177 PolarHBondContact O-N 3.12Å; L173-S177 PolarHBondContact O-OG 3.11Å; V174-S177 PolarHBondContact O-N 3.34Å; S177-S179 VanDerWaalsContact C-N 3.32Å; S177-S179 PolarHBondContact O-N 2.88Å; S177-R180 CarbonylContact O-C 3.52Å; S177-R180 PolarHBondContact O-N 2.87Å; S177-R180 VanDerWaalsContact O-N 3.09Å; S177-L181 WeakPolarHBondContact O-CB 3.21Å; S177-L181 VanDerWaalsContact O-CG 3.22Å; S177-L181 WeakPolarHBondContact O-CG 3.14Å; S177-L181 PolarHBondContact O-N 3.46Å |
| 178 | K | 68.4 | Low | 67.8 | Low | 104 Ų | 104 | 62.4 Ų | 62.4 | 45% | 0.452 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55.8 | -42.1 | 173.8 | -79.1 | 177.7 | 177.8 | -171.6 | 0 | 113.3 | V174 Q175 I176 R180 F184 | V174-K178 HydrophobicContact CG1-CD 4.22Å; V174-K178 HydrophobicContact CG1-CG 4.47Å; V174-K178 WeakPolarHBondContact O-CB 3.45Å; V174-K178 VanDerWaalsContact O-CG 3.31Å; V174-K178 WeakPolarHBondContact O-CG 2.97Å; V174-K178 PolarHBondContact O-N 3.09Å; Q175-K178 WeakPolarHBondContact O-CB 3.31Å; Q175-K178 PolarHBondContact O-N 3.29Å; I176-K178 VanDerWaalsContact C-N 3.33Å; I176-K178 PolarHBondContact O-N 3.41Å; K178-R180 PolarHBondContact O-N 3.48Å; K178-F184 HydrophobicContact CD-CD1 4.42Å; K178-F184 HydrophobicContact CD-CD2 4.11Å; K178-F184 HydrophobicContact CD-CE1 4.47Å; K178-F184 HydrophobicContact CD-CE2 4.16Å; K178-F184 HydrophobicContact CD-CG 4.25Å; K178-F184 HydrophobicContact CD-CZ 4.35Å; K178-F184 HydrophobicContact CG-CB 4.08Å; K178-F184 HydrophobicContact CG-CD1 4.22Å; K178-F184 HydrophobicContact CG-CD2 3.3Å; K178-F184 HydrophobicContact CG-CE2 3.74Å; K178-F184 HydrophobicContact CG-CG 3.58Å; K178-F184 HydrophobicContact CG-CZ 4.38Å |
| 179 | S | 69.5 | Low | 67.5 | Low | 92 Ų | 92 | 58.9 Ų | 58.9 | 64% | 0.643 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -69.9 | -16.4 | -179.4 | 69.4 | 0 | 0 | 0 | 0 | 113.9 | Q175 I176 S177 | Q175-S179 PolarHBondContact O-N 3.29Å; I176-S179 PolarHBondContact O-N 3.13Å; I176-S179 VanDerWaalsContact O-N 3.11Å; I176-S179 PolarHBondContact O-OG 3.3Å; S177-S179 VanDerWaalsContact C-N 3.32Å; S177-S179 PolarHBondContact O-N 2.88Å |
| 180 | R | 68 | Low | 67.2 | Low | 129 Ų | 129 | 62.1 Ų | 62.1 | 49% | 0.487 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -115.1 | -11.1 | -176.2 | -62.2 | -176.5 | 178.4 | -133 | 0.5 | 113.5 | I176 S177 K178 V218 | I176-R180 PolarHBondContact O-N 3.3Å; S177-R180 CarbonylContact O-C 3.52Å; S177-R180 PolarHBondContact O-N 2.87Å; S177-R180 VanDerWaalsContact O-N 3.09Å; K178-R180 PolarHBondContact O-N 3.48Å; R180-V218 HydrophobicContact CB-CG1 3.69Å; R180-V218 WeakPolarHBondContact CD-O 3.47Å; R180-V218 PolarHBondContact NH1-O 3.49Å |
| 181 | L | 63.9 | Low | 66.9 | Low | 5 Ų | 5 | 63.9 Ų | 63.9 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | trans | -116.6 | 106.8 | -177.7 | -65.3 | 169.8 | 0 | 0 | 0 | 109.7 | S177 G183 E187 F188 K212 V218 | S177-L181 WeakPolarHBondContact O-CB 3.21Å; S177-L181 VanDerWaalsContact O-CG 3.22Å; S177-L181 WeakPolarHBondContact O-CG 3.14Å; S177-L181 PolarHBondContact O-N 3.46Å; L181-G183 PolarHBondContact O-N 3.46Å; L181-E187 HydrophobicContact CD1-CB 4.13Å; L181-E187 HydrophobicContact CD2-CB 4.41Å; L181-E187 HydrophobicContact CD2-CG 4.27Å; L181-F188 HydrophobicContact CD1-CD1 4Å; L181-F188 HydrophobicContact CD1-CE1 3.9Å; L181-K212 HydrophobicContact CD2-CG 3.82Å; L181-V218 HydrophobicContact CD2-CB 4.15Å; L181-V218 HydrophobicContact CD2-CG1 3.65Å; L181-V218 HydrophobicContact CD2-CG2 3.38Å; L181-V218 HydrophobicContact CG-CG1 3.85Å; L181-V218 HydrophobicContact CG-CG2 4.46Å | ||
| 182 | D | 57.2 | Low | 66.6 | Low | 147 Ų | 147 | 66.3 Ų | 66.3 | 79% | 0.786 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | 17.3 | 177.9 | -52.6 | -60.8 | 0 | 0 | 0 | 114.6 | K212 | D182-K212 IonicContact OD2-NZ 3.95Å; D182-K212 PolarHBondContact OD2-NZ 3.32Å |
| 183 | G | 54.3 | Low | 66.3 | Low | 35 Ų | 35 | 64.3 Ų | 64.3 | 36% | 0.361 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.6 | 33.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L181 E186 | L181-G183 PolarHBondContact O-N 3.46Å; G183-E186 PolarHBondContact O-N 3.15Å |
| 184 | F | 53.7 | Low | 66.2 | Low | 88 Ų | 88 | 65.6 Ų | 65.6 | 39% | 0.386 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 127.8 | 175.9 | -179.6 | -89.7 | 0 | 0 | 0 | 110.7 | V174 K178 F188 | V174-F184 HydrophobicContact CG1-CE2 3.88Å; V174-F184 HydrophobicContact CG1-CZ 4.22Å; K178-F184 HydrophobicContact CD-CD1 4.42Å; K178-F184 HydrophobicContact CD-CD2 4.11Å; K178-F184 HydrophobicContact CD-CE1 4.47Å; K178-F184 HydrophobicContact CD-CE2 4.16Å; K178-F184 HydrophobicContact CD-CG 4.25Å; K178-F184 HydrophobicContact CD-CZ 4.35Å; K178-F184 HydrophobicContact CG-CB 4.08Å; K178-F184 HydrophobicContact CG-CD1 4.22Å; K178-F184 HydrophobicContact CG-CD2 3.3Å; K178-F184 HydrophobicContact CG-CE2 3.74Å; K178-F184 HydrophobicContact CG-CG 3.58Å; K178-F184 HydrophobicContact CG-CZ 4.38Å; F184-F188 AromaticContact CD2-CE1 3.81Å; F184-F188 HydrophobicContact CD2-CE1 3.81Å; F184-F188 AromaticContact CD2-CZ 3.69Å; F184-F188 HydrophobicContact CD2-CZ 3.69Å; F184-F188 AromaticContact CE2-CE1 3.97Å; F184-F188 HydrophobicContact CE2-CE1 3.97Å; F184-F188 HydrophobicContact CE2-CE2 4.05Å; F184-F188 AromaticContact CE2-CZ 3.37Å; F184-F188 HydrophobicContact CE2-CZ 3.37Å |
| 185 | P | 52.9 | Low | 66.1 | Low | 77 Ų | 77 | 64.5 Ų | 64.5 | 50% | 0.5 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -112.4 | 21.6 | 13.9 | 40.6 | -30.8 | 0 | 0 | 0 | 114.9 | E187 | P185-E187 PolarHBondContact O-N 3.22Å; P185-E187 VanDerWaalsContact O-N 3.14Å |
| 186 | E | 65.1 | Low | 66.1 | Low | 131 Ų | 131 | 61.6 Ų | 61.6 | 61% | 0.612 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -21.1 | -167.7 | -63.7 | -172 | 169.6 | 0 | 0 | 113.7 | G183 R198 | G183-E186 PolarHBondContact O-N 3.15Å; E186-R198 WeakPolarHBondContact O-CD 3.18Å; E186-R198 PolarHBondContact O-NE 2.89Å; E186-R198 PolarHBondContact O-NH1 2.86Å |
| 187 | E | 67.9 | Low | 66.2 | Low | 23 Ų | 23 | 60.6 Ų | 60.6 | 11% | 0.107 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -7 | -171 | -64.6 | -70.2 | -174.7 | 0 | 0 | 115.1 | L181 P185 R198 H199 K212 E213 | L181-E187 HydrophobicContact CD1-CB 4.13Å; L181-E187 HydrophobicContact CD2-CB 4.41Å; L181-E187 HydrophobicContact CD2-CG 4.27Å; P185-E187 PolarHBondContact O-N 3.22Å; P185-E187 VanDerWaalsContact O-N 3.14Å; E187-R198 PolarHBondContact O-N 2.95Å; E187-H199 IonicContact OE2-CE1 3.17Å; E187-H199 PolarHBondContact OE2-CE1 3.34Å; E187-H199 IonicContact OE2-CG 2.72Å; E187-H199 IonicContact OE2-ND1 2.99Å; E187-H199 PolarHBondContact OE2-ND1 3.3Å; E187-K212 VanDerWaalsContact OE1-CA 3.27Å; E187-K212 WeakPolarHBondContact OE1-CA 3.25Å; E187-E213 PolarHBondContact OE1-N 3.41Å |
| 188 | F | 67.4 | Low | 66.3 | Low | 9 Ų | 9 | 66.3 Ų | 66.3 | 4% | 0.039 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 157.5 | 177.3 | 64.7 | -88.5 | 0 | 0 | 0 | 113.8 | V174 L181 F184 V190 I195 Q196 F197 | V174-F188 HydrophobicContact CG1-CZ 4.35Å; V174-F188 HydrophobicContact CG2-CE2 4.01Å; V174-F188 HydrophobicContact CG2-CZ 4.38Å; L181-F188 HydrophobicContact CD1-CD1 4Å; L181-F188 HydrophobicContact CD1-CE1 3.9Å; F184-F188 AromaticContact CD2-CE1 3.81Å; F184-F188 HydrophobicContact CD2-CE1 3.81Å; F184-F188 AromaticContact CD2-CZ 3.69Å; F184-F188 HydrophobicContact CD2-CZ 3.69Å; F184-F188 AromaticContact CE2-CE1 3.97Å; F184-F188 HydrophobicContact CE2-CE1 3.97Å; F184-F188 HydrophobicContact CE2-CE2 4.05Å; F184-F188 AromaticContact CE2-CZ 3.37Å; F184-F188 HydrophobicContact CE2-CZ 3.37Å; F188-V190 HydrophobicContact CD2-CG2 3.67Å; F188-V190 HydrophobicContact CE2-CG2 3.53Å; F188-I195 HydrophobicContact CD2-CG2 4.22Å; F188-Q196 CarbonylContact C-O 3.48Å; F188-Q196 WeakPolarHBondContact CA-O 3.41Å; F188-Q196 VanDerWaalsContact CB-O 3.29Å; F188-Q196 WeakPolarHBondContact CB-O 3.5Å; F188-F197 HydrophobicContact CB-CB 4.37Å; F188-F197 HydrophobicContact CB-CD1 3.88Å; F188-F197 HydrophobicContact CB-CE1 4.41Å; F188-F197 HydrophobicContact CB-CG 4.09Å; F188-F197 HydrophobicContact CD1-CD1 4.4Å; F188-F197 HydrophobicContact CD1-CE1 4.34Å; F188-F197 HydrophobicContact CG-CD1 4.39Å; F188-F197 HydrophobicContact CG-CE1 4.49Å |
| 189 | V | 69.6 | Low | 66.2 | Low | 76 Ų | 76 | 64.3 Ų | 64.3 | 46% | 0.461 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 132.1 | 177.6 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | I195 Q196 | V189-I195 WeakPolarHBondContact O-CA 3.31Å; V189-Q196 PolarHBondContact N-O 3Å; V189-Q196 PolarHBondContact O-N 2.83Å |
| 190 | V | 67.6 | Low | 66.2 | Low | 69 Ų | 69 | 61.6 Ų | 61.6 | 42% | 0.418 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 122.4 | 173.6 | -172.4 | 0 | 0 | 0 | 0 | 108.8 | K170 V174 F188 V194 I195 | K170-V190 HydrophobicContact CD-CG1 4.45Å; V174-V190 HydrophobicContact CG2-CG2 3.99Å; F188-V190 HydrophobicContact CD2-CG2 3.67Å; F188-V190 HydrophobicContact CE2-CG2 3.53Å; V190-V194 WeakPolarHBondContact CA-O 3.47Å; V190-I195 HydrophobicContact CG1-CG1 4.22Å; V190-I195 HydrophobicContact CG2-CG1 4.27Å |
| 191 | S | 70.4 | Confident | 66.1 | Low | 61 Ų | 61 | 59.5 Ų | 59.5 | 43% | 0.427 | 32% | 0.324 | S | S | . | . | trans | -115.3 | -173.3 | 170.2 | 76.7 | 0 | 0 | 0 | 0 | 110.2 | N193 V194 | S191-N193 VanDerWaalsContact C-N 3.27Å; S191-N193 PolarHBondContact O-N 2.85Å; S191-V194 PolarHBondContact N-O 2.87Å; S191-V194 WeakPolarHBondContact OG-CB 3.25Å; S191-V194 PolarHBondContact OG-N 2.79Å | ||
| 192 | S | 67.3 | Low | 66.2 | Low | 94 Ų | 94 | 65.1 Ų | 65.1 | 66% | 0.657 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -50.7 | -46.9 | -177.9 | -51.7 | 0 | 0 | 0 | 0 | 112.5 | K170 | K170-S192 PolarHBondContact NZ-O 2.98Š|
| 193 | N | 71.4 | Confident | 66.5 | Low | 45 Ų | 45 | 60.4 Ų | 60.4 | 24% | 0.241 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -127.1 | 8.1 | -172.9 | -67.3 | -6 | 0 | 0 | 0 | 113.3 | F143 L144 E145 S191 | F143-N193 HydrophobicContact CD1-CB 4.42Å; F143-N193 HydrophobicContact CD2-CB 4.28Å; F143-N193 HydrophobicContact CE1-CB 4.12Å; F143-N193 WeakPolarHBondContact CE1-ND2 3.41Å; F143-N193 HydrophobicContact CE2-CB 3.97Å; F143-N193 HydrophobicContact CG-CB 4.5Å; F143-N193 HydrophobicContact CZ-CB 3.88Å; F143-N193 WeakPolarHBondContact O-CA 3.41Å; F143-N193 WeakPolarHBondContact O-CB 3.35Å; L144-N193 CarbonylContact C-O 3.5Å; L144-N193 VanDerWaalsContact CA-O 3.28Å; L144-N193 WeakPolarHBondContact CA-O 3.45Å; E145-N193 PolarHBondContact N-O 3.29Å; S191-N193 VanDerWaalsContact C-N 3.27Å; S191-N193 PolarHBondContact O-N 2.85Å |
| 194 | V | 69.1 | Low | 66.9 | Low | 31 Ų | 31 | 67.7 Ų | 67.7 | 19% | 0.188 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 135.2 | -174.3 | -172.6 | 0 | 0 | 0 | 0 | 110.8 | E145 V190 S191 Q196 | E145-V194 HydrophobicContact CB-CG1 4.49Å; E145-V194 HydrophobicContact CB-CG2 4.31Å; E145-V194 CarbonylContact O-C 3.54Å; E145-V194 VanDerWaalsContact O-CA 3.3Å; E145-V194 WeakPolarHBondContact O-CA 3.44Å; E145-V194 WeakPolarHBondContact O-CG1 3.4Å; V190-V194 WeakPolarHBondContact CA-O 3.47Å; S191-V194 PolarHBondContact N-O 2.87Å; S191-V194 WeakPolarHBondContact OG-CB 3.25Å; S191-V194 PolarHBondContact OG-N 2.79Å; V194-Q196 HydrophobicContact CG1-CB 4.19Å |
| 195 | I | 71.8 | Confident | 67 | Low | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 109.7 | 160.4 | -65.6 | 172.5 | 0 | 0 | 0 | 106.9 | L144 E145 V146 T147 K170 L173 F188 V189 V190 F197 | L144-I195 HydrophobicContact CD1-CB 4.32Å; L144-I195 HydrophobicContact CD1-CD1 4Å; L144-I195 HydrophobicContact CD1-CG1 3.83Å; L144-I195 HydrophobicContact CD2-CD1 4.41Å; E145-I195 PolarHBondContact O-N 2.97Å; V146-I195 VanDerWaalsContact CA-O 3.22Å; V146-I195 WeakPolarHBondContact CA-O 3.39Å; V146-I195 HydrophobicContact CG2-CB 4.44Å; T147-I195 PolarHBondContact N-O 3.28Å; K170-I195 HydrophobicContact CB-CD1 4.18Å; K170-I195 HydrophobicContact CG-CD1 3.95Å; K170-I195 HydrophobicContact CG-CG1 4.34Å; L173-I195 HydrophobicContact CB-CD1 4.07Å; L173-I195 HydrophobicContact CD1-CD1 4.02Å; F188-I195 HydrophobicContact CD2-CG2 4.22Å; V189-I195 WeakPolarHBondContact O-CA 3.31Å; V190-I195 HydrophobicContact CG1-CG1 4.22Å; V190-I195 HydrophobicContact CG2-CG1 4.27Å; I195-F197 HydrophobicContact CG2-CD2 4.19Å; I195-F197 HydrophobicContact CG2-CE2 3.78Å; I195-F197 HydrophobicContact CG2-CZ 4.28Å |
| 196 | Q | 73.1 | Confident | 67.3 | Low | 50 Ų | 50 | 69 Ų | 69 | 23% | 0.234 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 114.7 | -178.7 | -174.3 | -179.8 | -16.2 | 0 | 0 | 109.2 | F188 V189 V194 | F188-Q196 CarbonylContact C-O 3.48Å; F188-Q196 WeakPolarHBondContact CA-O 3.41Å; F188-Q196 VanDerWaalsContact CB-O 3.29Å; F188-Q196 WeakPolarHBondContact CB-O 3.5Å; V189-Q196 PolarHBondContact N-O 3Å; V189-Q196 PolarHBondContact O-N 2.83Å; V194-Q196 HydrophobicContact CG1-CB 4.19Å |
| 197 | F | 73.4 | Confident | 67.2 | Low | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.009 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 146.9 | 173.2 | -63.6 | -102.3 | 0 | 0 | 0 | 110.2 | V146 T147 S149 F188 I195 F200 V210 L224 | V146-F197 HydrophobicContact CG1-CD2 3.89Å; V146-F197 HydrophobicContact CG1-CE2 3.62Å; T147-F197 PolarHBondContact O-N 3.15Å; T147-F197 VanDerWaalsContact O-N 3.15Å; S149-F197 PolarHBondContact N-O 3.03Å; F188-F197 HydrophobicContact CB-CB 4.37Å; F188-F197 HydrophobicContact CB-CD1 3.88Å; F188-F197 HydrophobicContact CB-CE1 4.41Å; F188-F197 HydrophobicContact CB-CG 4.09Å; F188-F197 HydrophobicContact CD1-CD1 4.4Å; F188-F197 HydrophobicContact CD1-CE1 4.34Å; F188-F197 HydrophobicContact CG-CD1 4.39Å; F188-F197 HydrophobicContact CG-CE1 4.49Å; I195-F197 HydrophobicContact CG2-CD2 4.19Å; I195-F197 HydrophobicContact CG2-CE2 3.78Å; I195-F197 HydrophobicContact CG2-CZ 4.28Å; F197-F200 HydrophobicContact CB-CD2 4.24Å; F197-F200 HydrophobicContact CB-CE2 3.45Å; F197-F200 VanDerWaalsContact CB-CE2 3.45Å; F197-F200 HydrophobicContact CB-CZ 3.73Å; F197-F200 HydrophobicContact CD2-CE2 4.35Å; F197-F200 AromaticContact CD2-CZ 3.88Å; F197-F200 HydrophobicContact CD2-CZ 3.88Å; F197-F200 HydrophobicContact CG-CE2 4.26Å; F197-F200 HydrophobicContact CG-CZ 4.04Å; F197-V210 HydrophobicContact CD1-CG1 3.52Å; F197-V210 HydrophobicContact CD1-CG2 4.27Å; F197-V210 HydrophobicContact CE1-CG1 3.89Å; F197-V210 HydrophobicContact CE1-CG2 4.37Å; F197-V210 HydrophobicContact CG-CG1 4.18Å; F197-V210 HydrophobicContact CG-CG2 4.38Å; F197-L224 HydrophobicContact CE2-CD1 4.11Å; F197-L224 HydrophobicContact CZ-CD1 4.17Å |
| 198 | R | 69.9 | Low | 67.2 | Low | 123 Ų | 123 | 63.9 Ų | 63.9 | 46% | 0.464 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -77.6 | -42.4 | -177.3 | -69.7 | -163.8 | -174.6 | 169.5 | 4.1 | 112.5 | S149 E186 E187 | S149-R198 PolarHBondContact OG-O 3.41Å; E186-R198 WeakPolarHBondContact O-CD 3.18Å; E186-R198 PolarHBondContact O-NE 2.89Å; E186-R198 PolarHBondContact O-NH1 2.86Å; E187-R198 PolarHBondContact O-N 2.95Å |
| 199 | H | 66.3 | Low | 67.1 | Low | 61 Ų | 61 | 65 Ų | 65 | 28% | 0.282 | 37% | 0.365 | S | S | . | . | trans | -120 | 128 | -172.6 | -56.6 | 105.3 | 0 | 0 | 0 | 112.4 | E187 L211 | E187-H199 IonicContact OE2-CE1 3.17Å; E187-H199 PolarHBondContact OE2-CE1 3.34Å; E187-H199 IonicContact OE2-CG 2.72Å; E187-H199 IonicContact OE2-ND1 2.99Å; E187-H199 PolarHBondContact OE2-ND1 3.3Å; H199-L211 HydrophobicContact CB-CB 4.44Å; H199-L211 PolarHBondContact O-N 2.92Å | ||
| 200 | F | 69.5 | Low | 67.2 | Low | 36 Ų | 36 | 61.5 Ų | 61.5 | 16% | 0.158 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 151.6 | 172.1 | -78.3 | -84.9 | 0 | 0 | 0 | 110.9 | T147 D148 F197 R208 L209 V210 | T147-F200 WeakPolarHBondContact O-CE2 3.38Å; D148-F200 HydrophobicContact CB-CD2 3.65Å; D148-F200 HydrophobicContact CB-CE2 3.91Å; D148-F200 HydrophobicContact CB-CG 4.39Å; F197-F200 HydrophobicContact CB-CD2 4.24Å; F197-F200 HydrophobicContact CB-CE2 3.45Å; F197-F200 VanDerWaalsContact CB-CE2 3.45Å; F197-F200 HydrophobicContact CB-CZ 3.73Å; F197-F200 HydrophobicContact CD2-CE2 4.35Å; F197-F200 AromaticContact CD2-CZ 3.88Å; F197-F200 HydrophobicContact CD2-CZ 3.88Å; F197-F200 HydrophobicContact CG-CE2 4.26Å; F197-F200 HydrophobicContact CG-CZ 4.04Å; F200-R208 HydrophobicContact CD1-CB 4.23Å; F200-L209 CarbonylContact C-O 3.58Å; F200-L209 VanDerWaalsContact CA-O 3.3Å; F200-L209 WeakPolarHBondContact CA-O 3.29Å; F200-L209 WeakPolarHBondContact CD1-O 3.32Å; F200-V210 HydrophobicContact CD1-CG2 4.01Å; F200-V210 HydrophobicContact CE1-CB 4.34Å; F200-V210 HydrophobicContact CE1-CG2 3.34Å; F200-V210 HydrophobicContact CZ-CG2 3.9Å |
| 201 | I | 66.3 | Low | 67.1 | Low | 85 Ų | 85 | 59.1 Ų | 59.1 | 44% | 0.436 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 140.6 | 162.8 | -165.8 | 166.3 | 0 | 0 | 0 | 110.4 | L209 L211 | I201-L209 HydrophobicContact CG2-CB 3.69Å; I201-L209 HydrophobicContact CG2-CD1 4.03Å; I201-L209 HydrophobicContact CG2-CG 4.18Å; I201-L209 PolarHBondContact N-O 3.3Å; I201-L209 PolarHBondContact O-N 3.08Å; I201-L211 HydrophobicContact CB-CD1 3.68Å; I201-L211 HydrophobicContact CB-CG 4.37Å; I201-L211 HydrophobicContact CG2-CD1 3.48Å; I201-L211 VanDerWaalsContact CG2-CD1 3.48Å; I201-L211 HydrophobicContact CG2-CD2 4.04Å; I201-L211 HydrophobicContact CG2-CG 3.83Å |
| 202 | K | 65.6 | Low | 67 | Low | 123 Ų | 123 | 57.7 Ų | 57.7 | 54% | 0.535 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 121.7 | 167.1 | -69.4 | -178.7 | -177 | 176.4 | 0 | 108.1 | E151 R208 | E151-K202 IonicContact OE1-NZ 2.75Å; E151-K202 WeakPolarHBondContact OE2-CE 3.09Å; E151-K202 IonicContact OE2-NZ 2.74Å; E151-K202 PolarHBondContact OE2-NZ 2.78Å; K202-R208 VanDerWaalsContact CE-NH2 3.3Å; K202-R208 HydrophobicContact CG-CG 4.47Å |
| 203 | S | 64.4 | Low | 67 | Low | 47 Ų | 47 | 60.3 Ų | 60.3 | 33% | 0.329 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 145.3 | 170.4 | -179.4 | 0 | 0 | 0 | 0 | 109.2 | G206 S207 | S203-G206 CarbonylContact O-C 3.58Å; S203-G206 WeakPolarHBondContact O-CA 3.4Å; S203-G206 PolarHBondContact O-N 3.46Å; S203-S207 WeakPolarHBondContact CB-O 3.47Å; S203-S207 PolarHBondContact N-O 2.69Å; S203-S207 PolarHBondContact O-N 3.43Å |
| 204 | E | 62 | Low | 67 | Low | 189 Ų | 189 | 63.2 Ų | 63.2 | 88% | 0.883 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 121.9 | 165.5 | -69.1 | -171.8 | 157.2 | 0 | 0 | 108.2 | ||
| 205 | P | 56.3 | Low | 66.9 | Low | 126 Ų | 126 | 66.2 Ų | 66.2 | 82% | 0.818 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -110.8 | 60 | 28.2 | 40.7 | -31.5 | 0 | 0 | 0 | 114.2 | ||
| 206 | G | 58.9 | Low | 66.9 | Low | 65 Ų | 65 | 69.2 Ų | 69.2 | 67% | 0.67 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.8 | 2.9 | 177 | 0 | 0 | 0 | 0 | 0 | 115.1 | S203 R208 | S203-G206 CarbonylContact O-C 3.58Å; S203-G206 WeakPolarHBondContact O-CA 3.4Å; S203-G206 PolarHBondContact O-N 3.46Å; G206-R208 PolarHBondContact O-N 2.75Å |
| 207 | S | 62.3 | Low | 66.8 | Low | 30 Ų | 30 | 71.8 Ų | 71.8 | 21% | 0.21 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 127.5 | 174.5 | -62.5 | 0 | 0 | 0 | 0 | 110.5 | S203 | S203-S207 WeakPolarHBondContact CB-O 3.47Å; S203-S207 PolarHBondContact N-O 2.69Å; S203-S207 PolarHBondContact O-N 3.43Å |
| 208 | R | 68.3 | Low | 66.6 | Low | 18 Ų | 18 | 72 Ų | 72 | 7% | 0.068 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 126.8 | 169.9 | -67.5 | -171 | -176.4 | -130.2 | 1.6 | 109.8 | D148 E151 F200 K202 G206 T220 L221 | D148-R208 IonicContact OD2-NH1 3.91Å; D148-R208 PolarHBondContact OD2-NH1 2.88Å; E151-R208 IonicContact OE2-CZ 3.3Å; E151-R208 IonicContact OE2-NH1 3.83Å; E151-R208 IonicContact OE2-NH2 2.96Å; E151-R208 PolarHBondContact OE2-NH2 3.26Å; F200-R208 HydrophobicContact CD1-CB 4.23Å; K202-R208 VanDerWaalsContact CE-NH2 3.3Å; K202-R208 HydrophobicContact CG-CG 4.47Å; G206-R208 PolarHBondContact O-N 2.75Å; R208-T220 WeakPolarHBondContact O-CA 3.28Å; R208-L221 HydrophobicContact CB-CB 4.35Å; R208-L221 PolarHBondContact O-N 3.09Å |
| 209 | L | 65.6 | Low | 66.8 | Low | 33 Ų | 33 | 66.3 Ų | 66.3 | 17% | 0.173 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 126.7 | 179.8 | -53.1 | -175.2 | 0 | 0 | 0 | 108.7 | F200 I201 L211 F217 T220 | F200-L209 CarbonylContact C-O 3.58Å; F200-L209 VanDerWaalsContact CA-O 3.3Å; F200-L209 WeakPolarHBondContact CA-O 3.29Å; F200-L209 WeakPolarHBondContact CD1-O 3.32Å; I201-L209 HydrophobicContact CG2-CB 3.69Å; I201-L209 HydrophobicContact CG2-CD1 4.03Å; I201-L209 HydrophobicContact CG2-CG 4.18Å; I201-L209 PolarHBondContact N-O 3.3Å; I201-L209 PolarHBondContact O-N 3.08Å; L209-L211 HydrophobicContact CB-CD2 4.42Å; L209-F217 HydrophobicContact CB-CD2 3.72Å; L209-F217 HydrophobicContact CB-CE2 3.59Å; L209-F217 HydrophobicContact CD1-CD2 4.02Å; L209-F217 HydrophobicContact CD1-CE2 4.1Å; L209-F217 HydrophobicContact CD2-CD2 4.24Å; L209-F217 HydrophobicContact CD2-CE2 3.48Å; L209-F217 VanDerWaalsContact CD2-CE2 3.48Å; L209-F217 HydrophobicContact CD2-CZ 4.1Å; L209-F217 HydrophobicContact CG-CD2 4.19Å; L209-F217 HydrophobicContact CG-CE2 3.89Å; L209-T220 HydrophobicContact CD2-CG2 3.54Å |
| 210 | V | 71.6 | Confident | 67.2 | Low | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.006 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 128.8 | 169.2 | -179.4 | 0 | 0 | 0 | 0 | 107.7 | F197 F200 V218 C219 | F197-V210 HydrophobicContact CD1-CG1 3.52Å; F197-V210 HydrophobicContact CD1-CG2 4.27Å; F197-V210 HydrophobicContact CE1-CG1 3.89Å; F197-V210 HydrophobicContact CE1-CG2 4.37Å; F197-V210 HydrophobicContact CG-CG1 4.18Å; F197-V210 HydrophobicContact CG-CG2 4.38Å; F200-V210 HydrophobicContact CD1-CG2 4.01Å; F200-V210 HydrophobicContact CE1-CB 4.34Å; F200-V210 HydrophobicContact CE1-CG2 3.34Å; F200-V210 HydrophobicContact CZ-CG2 3.9Å; V210-V218 HydrophobicContact CB-CB 4.28Å; V210-V218 HydrophobicContact CG1-CB 4.17Å; V210-V218 HydrophobicContact CG1-CG2 4.42Å; V210-V218 WeakPolarHBondContact O-CB 3.44Å; V210-V218 PolarHBondContact O-N 3.39Å; V210-C219 PolarHBondContact N-O 3.15Å |
| 211 | L | 66.3 | Low | 67.3 | Low | 19 Ų | 19 | 63.8 Ų | 63.8 | 10% | 0.099 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 164.4 | 178.4 | -56.9 | -178.1 | 0 | 0 | 0 | 111.2 | H199 I201 L209 T216 F217 | H199-L211 HydrophobicContact CB-CB 4.44Å; H199-L211 PolarHBondContact O-N 2.92Å; I201-L211 HydrophobicContact CB-CD1 3.68Å; I201-L211 HydrophobicContact CB-CG 4.37Å; I201-L211 HydrophobicContact CG2-CD1 3.48Å; I201-L211 VanDerWaalsContact CG2-CD1 3.48Å; I201-L211 HydrophobicContact CG2-CD2 4.04Å; I201-L211 HydrophobicContact CG2-CG 3.83Å; L209-L211 HydrophobicContact CB-CD2 4.42Å; L211-T216 CarbonylContact C-O 3.55Å; L211-T216 VanDerWaalsContact CA-O 3.24Å; L211-T216 WeakPolarHBondContact CA-O 3.49Å; L211-F217 HydrophobicContact CD2-CB 4.06Å; L211-F217 HydrophobicContact CD2-CD2 4.12Å |
| 212 | K | 67.5 | Low | 67.7 | Low | 32 Ų | 32 | 61.5 Ų | 61.5 | 14% | 0.139 | 34% | 0.344 | C | S | . | . | trans | -83.2 | 167 | 158.6 | -70.2 | -177.1 | -175.6 | 177.4 | 0 | 110.5 | L181 D182 E187 D214 S215 T216 V218 | L181-K212 HydrophobicContact CD2-CG 3.82Å; D182-K212 IonicContact OD2-NZ 3.95Å; D182-K212 PolarHBondContact OD2-NZ 3.32Å; E187-K212 VanDerWaalsContact OE1-CA 3.27Å; E187-K212 WeakPolarHBondContact OE1-CA 3.25Å; K212-D214 WeakPolarHBondContact CB-OD1 3.43Å; K212-D214 PolarHBondContact O-N 3.47Å; K212-S215 PolarHBondContact O-N 3.47Å; K212-T216 PolarHBondContact N-O 2.76Å; K212-V218 HydrophobicContact CG-CG2 4.13Å | ||
| 213 | E | 68.4 | Low | 68.2 | Low | 149 Ų | 149 | 58.7 Ų | 58.7 | 70% | 0.696 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -33.3 | 173.4 | -170.6 | 175.3 | -177.8 | 0 | 0 | 112.5 | E187 S215 | E187-E213 PolarHBondContact OE1-N 3.41Å; E213-S215 PolarHBondContact O-N 3.09Å |
| 214 | D | 70.6 | Confident | 68.7 | Low | 105 Ų | 105 | 56.6 Ų | 56.6 | 56% | 0.561 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 9.5 | 176.5 | 71 | 3.9 | 0 | 0 | 0 | 114.6 | K212 T216 | K212-D214 WeakPolarHBondContact CB-OD1 3.43Å; K212-D214 PolarHBondContact O-N 3.47Å; D214-T216 VanDerWaalsContact C-N 3.25Å; D214-T216 PolarHBondContact O-N 2.93Å; D214-T216 WeakPolarHBondContact OD1-CB 3.42Å; D214-T216 PolarHBondContact OD1-N 3.23Å; D214-T216 PolarHBondContact OD1-OG1 3.37Å; D214-T216 PolarHBondContact OD2-OG1 3.05Å |
| 215 | S | 67.9 | Low | 69.4 | Low | 94 Ų | 94 | 48.4 Ų | 48.4 | 66% | 0.657 | 29% | 0.286 | S | S | * | . | trans | 66.9 | 13.8 | -176.1 | -53.5 | 0 | 0 | 0 | 0 | 115.7 | K212 E213 | K212-S215 PolarHBondContact O-N 3.47Å; E213-S215 PolarHBondContact O-N 3.09Å | ||
| 216 | T | 71.8 | Confident | 70.5 | Confident | 65 Ų | 65 | 46.9 Ų | 46.9 | 40% | 0.399 | 27% | 0.27 | S | S | . | . | trans | -71.7 | 133.3 | 173.2 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | L211 K212 D214 | L211-T216 CarbonylContact C-O 3.55Å; L211-T216 VanDerWaalsContact CA-O 3.24Å; L211-T216 WeakPolarHBondContact CA-O 3.49Å; K212-T216 PolarHBondContact N-O 2.76Å; D214-T216 VanDerWaalsContact C-N 3.25Å; D214-T216 PolarHBondContact O-N 2.93Å; D214-T216 WeakPolarHBondContact OD1-CB 3.42Å; D214-T216 PolarHBondContact OD1-N 3.23Å; D214-T216 PolarHBondContact OD1-OG1 3.37Å; D214-T216 PolarHBondContact OD2-OG1 3.05Å | ||
| 217 | F | 69.1 | Low | 71.5 | Confident | 104 Ų | 104 | 46.4 Ų | 46.4 | 46% | 0.456 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 134.5 | 178.7 | 176 | -109.8 | 0 | 0 | 0 | 113.9 | L209 L211 C219 T220 | L209-F217 HydrophobicContact CB-CD2 3.72Å; L209-F217 HydrophobicContact CB-CE2 3.59Å; L209-F217 HydrophobicContact CD1-CD2 4.02Å; L209-F217 HydrophobicContact CD1-CE2 4.1Å; L209-F217 HydrophobicContact CD2-CD2 4.24Å; L209-F217 HydrophobicContact CD2-CE2 3.48Å; L209-F217 VanDerWaalsContact CD2-CE2 3.48Å; L209-F217 HydrophobicContact CD2-CZ 4.1Å; L209-F217 HydrophobicContact CG-CD2 4.19Å; L209-F217 HydrophobicContact CG-CE2 3.89Å; L211-F217 HydrophobicContact CD2-CB 4.06Å; L211-F217 HydrophobicContact CD2-CD2 4.12Å; F217-C219 VanDerWaalsContact CE2-O 3.25Å; F217-C219 WeakPolarHBondContact CE2-O 3.44Å; F217-T220 HydrophobicContact CE2-CG2 4.18Å; F217-T220 HydrophobicContact CZ-CG2 3.71Å |
| 218 | V | 70.8 | Confident | 72.2 | Confident | 6 Ų | 6 | 45 Ų | 45 | 4% | 0.036 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | -59.4 | -175.4 | -174.3 | 0 | 0 | 0 | 0 | 111.5 | R180 L181 V210 K212 | R180-V218 HydrophobicContact CB-CG1 3.69Å; R180-V218 WeakPolarHBondContact CD-O 3.47Å; R180-V218 PolarHBondContact NH1-O 3.49Å; L181-V218 HydrophobicContact CD2-CB 4.15Å; L181-V218 HydrophobicContact CD2-CG1 3.65Å; L181-V218 HydrophobicContact CD2-CG2 3.38Å; L181-V218 HydrophobicContact CG-CG1 3.85Å; L181-V218 HydrophobicContact CG-CG2 4.46Å; V210-V218 HydrophobicContact CB-CB 4.28Å; V210-V218 HydrophobicContact CG1-CB 4.17Å; V210-V218 HydrophobicContact CG1-CG2 4.42Å; V210-V218 WeakPolarHBondContact O-CB 3.44Å; V210-V218 PolarHBondContact O-N 3.39Å; K212-V218 HydrophobicContact CG-CG2 4.13Å |
| 219 | C | 72.4 | Confident | 72.9 | Confident | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.034 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 164.1 | 179 | 66.9 | 0 | 0 | 0 | 0 | 112 | V210 F217 | V210-C219 PolarHBondContact N-O 3.15Å; F217-C219 VanDerWaalsContact CE2-O 3.25Å; F217-C219 WeakPolarHBondContact CE2-O 3.44Å |
| 220 | T | 74.9 | Confident | 73.7 | Confident | 28 Ų | 28 | 48 Ų | 48 | 17% | 0.172 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 154.9 | 171.5 | 72.3 | 0 | 0 | 0 | 0 | 110.8 | R208 L209 F217 D222 C223 L224 | R208-T220 WeakPolarHBondContact O-CA 3.28Å; L209-T220 HydrophobicContact CD2-CG2 3.54Å; F217-T220 HydrophobicContact CE2-CG2 4.18Å; F217-T220 HydrophobicContact CZ-CG2 3.71Å; T220-D222 PolarHBondContact O-N 3.25Å; T220-D222 PolarHBondContact OG1-N 3.11Å; T220-C223 PolarHBondContact O-N 3.28Å; T220-C223 PolarHBondContact OG1-N 3.2Å; T220-C223 VanDerWaalsContact OG1-N 3.14Å; T220-C223 PolarHBondContact OG1-SG 2.75Å; T220-L224 PolarHBondContact O-N 3Å |
| 221 | L | 72.4 | Confident | 74.2 | Confident | 16 Ų | 16 | 50 Ų | 50 | 8% | 0.084 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.2 | -34.7 | 171.5 | -172 | 63.4 | 0 | 0 | 0 | 111.8 | V146 L156 R208 C223 L224 K225 | V146-L221 HydrophobicContact CG1-CD1 4.48Å; L156-L221 HydrophobicContact CB-CD1 3.88Å; L156-L221 HydrophobicContact CB-CG 4.47Å; R208-L221 HydrophobicContact CB-CB 4.35Å; R208-L221 PolarHBondContact O-N 3.09Å; L221-C223 PolarHBondContact O-N 2.99Å; L221-L224 WeakPolarHBondContact O-CB 3.34Å; L221-L224 PolarHBondContact O-N 3.39Å; L221-L224 VanDerWaalsContact O-N 3.15Å; L221-K225 WeakPolarHBondContact O-CG 3.37Å; L221-K225 PolarHBondContact O-N 3.17Å |
| 222 | D | 74.8 | Confident | 74.8 | Confident | 36 Ų | 36 | 49.1 Ų | 49.1 | 19% | 0.193 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.1 | -38.1 | 179.1 | -60 | -25 | 0 | 0 | 0 | 112.7 | T220 L224 K225 L226 V251 | T220-D222 PolarHBondContact O-N 3.25Å; T220-D222 PolarHBondContact OG1-N 3.11Å; D222-L224 VanDerWaalsContact C-N 3.31Å; D222-L224 PolarHBondContact O-N 2.67Å; D222-K225 WeakPolarHBondContact O-CB 3.46Å; D222-K225 PolarHBondContact O-N 3.38Å; D222-L226 WeakPolarHBondContact O-CG 3.43Å; D222-L226 PolarHBondContact O-N 3.28Å; D222-V251 HydrophobicContact CB-CG1 3.67Å; D222-V251 VanDerWaalsContact OD1-CG1 3.22Å; D222-V251 WeakPolarHBondContact OD1-CG1 3.5Å |
| 223 | C | 75.9 | Confident | 75.5 | Confident | 65 Ų | 65 | 52.1 Ų | 52.1 | 44% | 0.439 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | 173.3 | -69.4 | 0 | 0 | 0 | 0 | 111.6 | T220 L221 L226 E227 | T220-C223 PolarHBondContact O-N 3.28Å; T220-C223 PolarHBondContact OG1-N 3.2Å; T220-C223 VanDerWaalsContact OG1-N 3.14Å; T220-C223 PolarHBondContact OG1-SG 2.75Å; L221-C223 PolarHBondContact O-N 2.99Å; C223-L226 PolarHBondContact O-N 3.22Å; C223-E227 PolarHBondContact O-N 2.87Å; C223-E227 VanDerWaalsContact O-N 3.07Å |
| 224 | L | 74.9 | Confident | 76.2 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.9 | -38.4 | 177.4 | -58.5 | 174.4 | 0 | 0 | 0 | 111.5 | V146 L173 F197 T220 L221 D222 T228 | V146-L224 HydrophobicContact CG1-CD1 4.5Å; L173-L224 HydrophobicContact CD2-CB 4.09Å; L173-L224 HydrophobicContact CD2-CD2 3.66Å; L173-L224 HydrophobicContact CD2-CG 4.42Å; F197-L224 HydrophobicContact CE2-CD1 4.11Å; F197-L224 HydrophobicContact CZ-CD1 4.17Å; T220-L224 PolarHBondContact O-N 3Å; L221-L224 WeakPolarHBondContact O-CB 3.34Å; L221-L224 PolarHBondContact O-N 3.39Å; L221-L224 VanDerWaalsContact O-N 3.15Å; D222-L224 VanDerWaalsContact C-N 3.31Å; D222-L224 PolarHBondContact O-N 2.67Å; L224-T228 WeakPolarHBondContact O-CB 3.47Å; L224-T228 PolarHBondContact O-N 3.32Å; L224-T228 PolarHBondContact O-OG1 3.08Å |
| 225 | K | 77.4 | Confident | 76.6 | Confident | 16 Ų | 16 | 50.3 Ų | 50.3 | 7% | 0.07 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.9 | -52.4 | 172.9 | -69.5 | -178.7 | -170.5 | -176.2 | 0 | 111.3 | L156 L221 D222 E227 T228 V229 V251 A253 | L156-K225 HydrophobicContact CD1-CD 4.37Å; L156-K225 HydrophobicContact CD1-CG 3.81Å; L156-K225 HydrophobicContact CD2-CG 3.73Å; L156-K225 HydrophobicContact CG-CG 4.26Å; L221-K225 WeakPolarHBondContact O-CG 3.37Å; L221-K225 PolarHBondContact O-N 3.17Å; D222-K225 WeakPolarHBondContact O-CB 3.46Å; D222-K225 PolarHBondContact O-N 3.38Å; K225-E227 PolarHBondContact O-N 3.23Å; K225-T228 WeakPolarHBondContact O-CB 3.49Å; K225-T228 PolarHBondContact O-N 3.35Å; K225-V229 WeakPolarHBondContact O-CG2 3.38Å; K225-V229 PolarHBondContact O-N 3.23Å; K225-V251 PolarHBondContact NZ-O 3.43Å; K225-A253 WeakPolarHBondContact CE-O 3.44Å; K225-A253 PolarHBondContact NZ-O 3.32Å |
| 226 | L | 78.8 | Confident | 77.2 | Confident | 94 Ų | 94 | 48 Ų | 48 | 49% | 0.492 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.3 | -44.6 | -178.8 | -74.4 | 170.7 | 0 | 0 | 0 | 112.2 | D222 C223 T228 V229 M230 | D222-L226 WeakPolarHBondContact O-CG 3.43Å; D222-L226 PolarHBondContact O-N 3.28Å; C223-L226 PolarHBondContact O-N 3.22Å; L226-T228 VanDerWaalsContact C-N 3.33Å; L226-T228 PolarHBondContact O-N 2.92Å; L226-V229 PolarHBondContact O-N 2.98Å; L226-M230 WeakPolarHBondContact O-CB 3.37Å; L226-M230 VanDerWaalsContact O-CG 3.26Å; L226-M230 WeakPolarHBondContact O-CG 3.34Å; L226-M230 PolarHBondContact O-N 3.23Å |
| 227 | E | 79.4 | Confident | 77.5 | Confident | 56 Ų | 56 | 45.2 Ų | 45.2 | 26% | 0.262 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.1 | -41.9 | 177.6 | -173.1 | 77.9 | 169.3 | 0 | 0 | 111.1 | R172 I176 C223 K225 V229 M230 L231 | R172-E227 HydrophobicContact CG-CG 4.41Å; R172-E227 IonicContact CZ-OE1 2.78Å; R172-E227 IonicContact NE-OE1 3.06Å; R172-E227 PolarHBondContact NE-OE1 3.39Å; R172-E227 IonicContact NH2-OE1 3.48Å; R172-E227 PolarHBondContact NH2-OE1 3.17Å; I176-E227 HydrophobicContact CD1-CB 4.41Å; I176-E227 HydrophobicContact CD1-CG 3.56Å; C223-E227 PolarHBondContact O-N 2.87Å; C223-E227 VanDerWaalsContact O-N 3.07Å; K225-E227 PolarHBondContact O-N 3.23Å; E227-V229 VanDerWaalsContact C-N 3.34Å; E227-V229 PolarHBondContact O-N 3.37Å; E227-M230 PolarHBondContact O-N 3.32Å; E227-L231 HydrophobicContact CG-CD1 4.21Å; E227-L231 HydrophobicContact CG-CG 4.49Å; E227-L231 VanDerWaalsContact O-CG 3.28Å; E227-L231 WeakPolarHBondContact O-CG 3.39Å; E227-L231 PolarHBondContact O-N 3.32Å |
| 228 | T | 78.1 | Confident | 78 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 177.1 | -59 | 0 | 0 | 0 | 0 | 111.5 | V158 V169 L224 K225 L226 L231 A232 L256 F258 | V158-T228 HydrophobicContact CG1-CG2 3.96Å; V158-T228 HydrophobicContact CG2-CG2 3.9Å; V169-T228 HydrophobicContact CG1-CG2 3.82Å; V169-T228 HydrophobicContact CG2-CG2 4.27Å; L224-T228 WeakPolarHBondContact O-CB 3.47Å; L224-T228 PolarHBondContact O-N 3.32Å; L224-T228 PolarHBondContact O-OG1 3.08Å; K225-T228 WeakPolarHBondContact O-CB 3.49Å; K225-T228 PolarHBondContact O-N 3.35Å; L226-T228 VanDerWaalsContact C-N 3.33Å; L226-T228 PolarHBondContact O-N 2.92Å; T228-L231 PolarHBondContact O-N 3.39Å; T228-A232 PolarHBondContact O-N 2.86Å; T228-L256 HydrophobicContact CG2-CD1 4.49Å; T228-F258 HydrophobicContact CG2-CE2 4.02Å; T228-F258 HydrophobicContact CG2-CZ 4.45Å |
| 229 | V | 81.7 | Confident | 78.4 | Confident | 18 Ų | 18 | 49.5 Ų | 49.5 | 11% | 0.109 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 176.1 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | K225 L226 E227 L231 A232 L233 V250 L256 F258 | K225-V229 WeakPolarHBondContact O-CG2 3.38Å; K225-V229 PolarHBondContact O-N 3.23Å; L226-V229 PolarHBondContact O-N 2.98Å; E227-V229 VanDerWaalsContact C-N 3.34Å; E227-V229 PolarHBondContact O-N 3.37Å; V229-L231 VanDerWaalsContact C-N 3.31Å; V229-L231 PolarHBondContact O-N 2.78Å; V229-A232 WeakPolarHBondContact O-CB 3.33Å; V229-A232 PolarHBondContact O-N 2.99Å; V229-L233 HydrophobicContact CG1-CD1 3.9Å; V229-L233 HydrophobicContact CG1-CG 4.3Å; V229-L233 WeakPolarHBondContact O-CG 3.42Å; V229-L233 PolarHBondContact O-N 2.98Å; V229-V250 HydrophobicContact CG2-CG1 3.88Å; V229-L256 HydrophobicContact CG2-CD1 3.86Å; V229-L256 HydrophobicContact CG2-CD2 4.47Å; V229-F258 HydrophobicContact CB-CZ 4.46Å; V229-F258 HydrophobicContact CG2-CZ 3.98Å |
| 230 | M | 83.8 | Confident | 78.4 | Confident | 97 Ų | 97 | 53.3 Ų | 53.3 | 48% | 0.478 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.2 | -38.2 | 179.5 | -72.3 | -64 | -70.1 | 0 | 0 | 112.4 | L226 E227 K234 | L226-M230 WeakPolarHBondContact O-CB 3.37Å; L226-M230 VanDerWaalsContact O-CG 3.26Å; L226-M230 WeakPolarHBondContact O-CG 3.34Å; L226-M230 PolarHBondContact O-N 3.23Å; E227-M230 PolarHBondContact O-N 3.32Å; M230-K234 WeakPolarHBondContact O-CB 3.37Å; M230-K234 VanDerWaalsContact O-CG 3.29Å; M230-K234 WeakPolarHBondContact O-CG 3.3Å; M230-K234 PolarHBondContact O-N 2.9Å |
| 231 | L | 81.6 | Confident | 78.1 | Confident | 42 Ų | 42 | 54.7 Ų | 54.7 | 22% | 0.22 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.9 | -43.5 | 174.1 | -70.3 | 166.8 | 0 | 0 | 0 | 112 | F165 R172 E227 T228 V229 K234 A235 | F165-L231 HydrophobicContact CE2-CB 4.42Å; R172-L231 HydrophobicContact CB-CD1 3.68Å; R172-L231 HydrophobicContact CG-CD1 3.51Å; R172-L231 HydrophobicContact CG-CD2 4.12Å; R172-L231 HydrophobicContact CG-CG 4.33Å; E227-L231 HydrophobicContact CG-CD1 4.21Å; E227-L231 HydrophobicContact CG-CG 4.49Å; E227-L231 VanDerWaalsContact O-CG 3.28Å; E227-L231 WeakPolarHBondContact O-CG 3.39Å; E227-L231 PolarHBondContact O-N 3.32Å; T228-L231 PolarHBondContact O-N 3.39Å; V229-L231 VanDerWaalsContact C-N 3.31Å; V229-L231 PolarHBondContact O-N 2.78Å; L231-K234 PolarHBondContact O-N 3.07Å; L231-A235 WeakPolarHBondContact O-CB 3.27Å; L231-A235 PolarHBondContact O-N 2.89Å |
| 232 | A | 78.9 | Confident | 77.5 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.3 | -52.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | F165 T228 V229 K234 A235 G236 F237 F258 | F165-A232 HydrophobicContact CE1-CB 4.21Å; F165-A232 VanDerWaalsContact CE2-CA 3.43Å; F165-A232 HydrophobicContact CE2-CB 4.01Å; F165-A232 VanDerWaalsContact CZ-CA 3.43Å; F165-A232 HydrophobicContact CZ-CB 3.45Å; F165-A232 VanDerWaalsContact CZ-CB 3.45Å; T228-A232 PolarHBondContact O-N 2.86Å; V229-A232 WeakPolarHBondContact O-CB 3.33Å; V229-A232 PolarHBondContact O-N 2.99Å; A232-K234 PolarHBondContact O-N 2.87Å; A232-A235 CarbonylContact O-C 3.54Å; A232-A235 PolarHBondContact O-N 3.04Å; A232-G236 PolarHBondContact O-N 2.87Å; A232-F237 HydrophobicContact CB-CB 4.1Å; A232-F237 WeakPolarHBondContact O-CB 2.93Å; A232-F237 PolarHBondContact O-N 2.97Å; A232-F258 HydrophobicContact CB-CD1 3.32Å; A232-F258 HydrophobicContact CB-CD2 4.32Å; A232-F258 HydrophobicContact CB-CE1 3.24Å; A232-F258 HydrophobicContact CB-CE2 4.25Å; A232-F258 HydrophobicContact CB-CG 3.87Å; A232-F258 HydrophobicContact CB-CZ 3.74Å |
| 233 | L | 82 | Confident | 76.4 | Confident | 95 Ų | 95 | 58 Ų | 58 | 50% | 0.497 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.8 | -42.8 | -179.2 | -65.1 | 175.6 | 0 | 0 | 0 | 111.7 | V229 A235 G236 | V229-L233 HydrophobicContact CG1-CD1 3.9Å; V229-L233 HydrophobicContact CG1-CG 4.3Å; V229-L233 WeakPolarHBondContact O-CG 3.42Å; V229-L233 PolarHBondContact O-N 2.98Å; L233-A235 PolarHBondContact O-N 2.81Å; L233-G236 PolarHBondContact O-N 2.81Å; L233-G236 VanDerWaalsContact O-N 3.09Å |
| 234 | K | 83.6 | Confident | 75.1 | Confident | 174 Ų | 174 | 59 Ų | 59 | 76% | 0.757 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -62.7 | -30.8 | 174.9 | -78.5 | 178 | 179.8 | 178.1 | 0 | 113.1 | M230 L231 A232 G236 | M230-K234 WeakPolarHBondContact O-CB 3.37Å; M230-K234 VanDerWaalsContact O-CG 3.29Å; M230-K234 WeakPolarHBondContact O-CG 3.3Å; M230-K234 PolarHBondContact O-N 2.9Å; L231-K234 PolarHBondContact O-N 3.07Å; A232-K234 PolarHBondContact O-N 2.87Å; K234-G236 VanDerWaalsContact C-N 3.25Å |
| 235 | A | 77.9 | Confident | 73.8 | Confident | 42 Ų | 42 | 62.1 Ų | 62.1 | 35% | 0.347 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 5.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F165 L231 A232 L233 F237 | F165-A235 HydrophobicContact CD2-CB 4.36Å; F165-A235 HydrophobicContact CE2-CB 4.44Å; L231-A235 WeakPolarHBondContact O-CB 3.27Å; L231-A235 PolarHBondContact O-N 2.89Å; A232-A235 CarbonylContact O-C 3.54Å; A232-A235 PolarHBondContact O-N 3.04Å; L233-A235 PolarHBondContact O-N 2.81Å; A235-F237 HydrophobicContact CB-CD2 3.68Å; A235-F237 HydrophobicContact CB-CE2 3.8Å |
| 236 | G | 79.9 | Confident | 72.4 | Confident | 45 Ų | 45 | 66 Ų | 66 | 46% | 0.464 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 7.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | A232 L233 K234 | A232-G236 PolarHBondContact O-N 2.87Å; L233-G236 PolarHBondContact O-N 2.81Å; L233-G236 VanDerWaalsContact O-N 3.09Å; K234-G236 VanDerWaalsContact C-N 3.25Å |
| 237 | F | 79.6 | Confident | 71.2 | Confident | 7 Ų | 7 | 70 Ų | 70 | 3% | 0.031 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 148.5 | 177.8 | -66.7 | -102.1 | 0 | 0 | 0 | 111.1 | C160 D162 F165 A232 A235 F258 V259 K260 | C160-F237 WeakPolarHBondContact SG-CE1 3.37Å; D162-F237 HydrophobicContact CB-CE1 3.64Å; D162-F237 HydrophobicContact CB-CZ 3.6Å; D162-F237 WeakPolarHBondContact OD2-CZ 3.38Å; F165-F237 HydrophobicContact CB-CE1 4.25Å; F165-F237 HydrophobicContact CB-CE2 4.04Å; F165-F237 HydrophobicContact CB-CZ 3.69Å; F165-F237 HydrophobicContact CD2-CD2 4.03Å; F165-F237 AromaticContact CD2-CE2 3.78Å; F165-F237 HydrophobicContact CD2-CE2 3.78Å; F165-F237 HydrophobicContact CD2-CZ 4.27Å; F165-F237 HydrophobicContact CE2-CD2 4.39Å; F165-F237 HydrophobicContact CG-CD2 4.4Å; F165-F237 HydrophobicContact CG-CE1 4.42Å; F165-F237 HydrophobicContact CG-CE2 4Å; F165-F237 HydrophobicContact CG-CZ 4.02Å; A232-F237 HydrophobicContact CB-CB 4.1Å; A232-F237 WeakPolarHBondContact O-CB 2.93Å; A232-F237 PolarHBondContact O-N 2.97Å; A235-F237 HydrophobicContact CB-CD2 3.68Å; A235-F237 HydrophobicContact CB-CE2 3.8Å; F237-F258 HydrophobicContact CB-CB 4.25Å; F237-F258 HydrophobicContact CD1-CB 4.32Å; F237-V259 CarbonylContact C-O 3.33Å; F237-V259 VanDerWaalsContact CA-O 3.25Å; F237-V259 WeakPolarHBondContact CA-O 3.48Å; F237-V259 WeakPolarHBondContact CB-O 3.5Å; F237-K260 HydrophobicContact CD1-CB 3.93Å; F237-K260 HydrophobicContact CD1-CG 4.34Å; F237-K260 HydrophobicContact CE1-CB 3.73Å; F237-K260 HydrophobicContact CE1-CD 4.19Å; F237-K260 HydrophobicContact CE1-CG 4.06Å; F237-K260 HydrophobicContact CE2-CD 4.4Å; F237-K260 HydrophobicContact CE2-CG 4.46Å; F237-K260 HydrophobicContact CZ-CB 4.28Å; F237-K260 HydrophobicContact CZ-CD 3.9Å; F237-K260 HydrophobicContact CZ-CG 4.13Å |
| 238 | K | 78.9 | Confident | 69.9 | Low | 146 Ų | 146 | 70.7 Ų | 70.7 | 64% | 0.635 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 135.1 | 172.7 | -62.1 | 177.1 | -175.9 | 171.9 | 0 | 109.5 | V240 F258 V259 | K238-V240 PolarHBondContact O-N 3.49Å; K238-F258 WeakPolarHBondContact O-CA 3.45Å; K238-V259 HydrophobicContact CB-CG2 4.34Å; K238-V259 PolarHBondContact N-O 3.03Å; K238-V259 PolarHBondContact O-N 3.24Å |
| 239 | L | 79.4 | Confident | 69.2 | Low | 55 Ų | 55 | 73 Ų | 73 | 29% | 0.288 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 117.2 | 170.2 | -178.5 | 69.3 | 0 | 0 | 0 | 108.5 | V250 L256 H257 F258 | L239-V250 HydrophobicContact CD2-CG1 4.39Å; L239-V250 HydrophobicContact CD2-CG2 3.99Å; L239-L256 HydrophobicContact CD1-CB 4.18Å; L239-L256 HydrophobicContact CD1-CD2 4.13Å; L239-H257 WeakPolarHBondContact CA-O 3.34Å; L239-F258 HydrophobicContact CB-CD1 4.19Å; L239-F258 HydrophobicContact CB-CE1 3.95Å; L239-F258 HydrophobicContact CD1-CD1 4.01Å; L239-F258 HydrophobicContact CD1-CE1 3.54Å; L239-F258 HydrophobicContact CD1-CE2 4.48Å; L239-F258 HydrophobicContact CD1-CZ 3.82Å; L239-F258 HydrophobicContact CG-CE1 4.31Å |
| 240 | V | 73 | Confident | 68.2 | Low | 84 Ų | 84 | 74.4 Ų | 74.4 | 51% | 0.509 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -46.8 | -176.4 | -173.4 | 0 | 0 | 0 | 0 | 111.2 | K238 H257 V259 | K238-V240 PolarHBondContact O-N 3.49Å; V240-H257 HydrophobicContact CB-CB 4.44Å; V240-H257 PolarHBondContact N-O 3.14Å; V240-V259 HydrophobicContact CG2-CB 3.97Å; V240-V259 HydrophobicContact CG2-CG1 3.6Å; V240-V259 HydrophobicContact CG2-CG2 3.27Å |
| 241 | T | 67.3 | Low | 67.2 | Low | 58 Ų | 58 | 72 Ų | 72 | 36% | 0.356 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 141.5 | -179.4 | 51.9 | 0 | 0 | 0 | 0 | 111.7 | H257 | T241-H257 PolarHBondContact O-N 3.34Å; T241-H257 VanDerWaalsContact O-N 3.12Å; T241-H257 WeakPolarHBondContact OG1-CB 3.46Å; T241-H257 VanDerWaalsContact OG1-CG 3.29Å; T241-H257 PolarHBondContact OG1-ND1 3.24Å |
| 242 | A | 61.2 | Low | 66.2 | Low | 25 Ų | 25 | 72 Ų | 72 | 21% | 0.207 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 100.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | A253 A255 | A242-A253 HydrophobicContact CB-CB 3.48Å; A242-A253 VanDerWaalsContact CB-CB 3.48Å; A242-A255 WeakPolarHBondContact CA-O 3.39Å |
| 243 | L | 50.7 | Low | 65.6 | Low | 97 Ų | 97 | 72 Ų | 72 | 51% | 0.508 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 131.5 | 178.1 | -90.6 | 143.8 | 0 | 0 | 0 | 109.3 | E254 A255 H257 | L243-E254 PolarHBondContact O-N 3.33Å; L243-A255 HydrophobicContact CB-CB 4.43Å; L243-A255 PolarHBondContact N-O 3.17Å; L243-H257 VanDerWaalsContact CD1-CE1 3.41Å; L243-H257 WeakPolarHBondContact CD1-CE1 3.29Å |
| 244 | D | 48.9 | Very low | 65 | Low | 86 Ų | 86 | 72.3 Ų | 72.3 | 46% | 0.46 | 43% | 0.426 | S | S | . | . | trans | 69.1 | 74.2 | -162.1 | -162.1 | 8.2 | 0 | 0 | 0 | 116.1 | S246 E254 | D244-S246 PolarHBondContact OD1-N 2.96Å; D244-E254 HydrophobicContact CB-CG 4.32Å | ||
| 245 | S | 46.9 | Very low | 64.5 | Low | 67 Ų | 67 | 64.4 Ų | 64.4 | 47% | 0.469 | 39% | 0.394 | S | S | . | . | trans | -108 | 54.9 | 167.6 | 62 | 0 | 0 | 0 | 0 | 111.6 | K247 G248 | S245-K247 PolarHBondContact O-N 3Å; S245-G248 PolarHBondContact O-N 3.44Å | ||
| 246 | S | 48.7 | Very low | 64.5 | Low | 99 Ų | 99 | 62.4 Ų | 62.4 | 69% | 0.692 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -17.4 | 164.4 | 57.5 | 0 | 0 | 0 | 0 | 113.2 | D244 | D244-S246 PolarHBondContact OD1-N 2.96Š|
| 247 | K | 53 | Low | 64.5 | Low | 177 Ų | 177 | 62.7 Ų | 62.7 | 77% | 0.77 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.5 | 10.3 | 179 | -60.4 | -169.6 | 177.9 | -179.7 | 0 | 116.3 | S245 S249 | S245-K247 PolarHBondContact O-N 3Å; K247-S249 PolarHBondContact O-N 3.39Å |
| 248 | G | 52.8 | Low | 64.5 | Low | 70 Ų | 70 | 62.5 Ų | 62.5 | 72% | 0.722 | 37% | 0.365 | S | S | * | . | S | Bend | trans | 63 | 9.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | S245 | S245-G248 PolarHBondContact O-N 3.44Š|
| 249 | S | 63.2 | Low | 64.2 | Low | 50 Ų | 50 | 58.5 Ų | 58.5 | 35% | 0.35 | 35% | 0.353 | S | S | . | . | trans | -107.4 | 130.6 | -178.5 | 178.6 | 0 | 0 | 0 | 0 | 111 | K247 V251 A252 | K247-S249 PolarHBondContact O-N 3.39Å; S249-V251 PolarHBondContact O-N 3.43Å; S249-V251 VanDerWaalsContact O-N 3.14Å; S249-V251 WeakPolarHBondContact OG-CB 3.33Å; S249-V251 PolarHBondContact OG-N 2.78Å; S249-A252 PolarHBondContact O-N 3.46Å | ||
| 250 | V | 62.1 | Low | 64 | Low | 46 Ų | 46 | 63.6 Ų | 63.6 | 28% | 0.279 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -57.6 | -26.4 | 173.8 | 177.4 | 0 | 0 | 0 | 0 | 111.9 | V229 L239 A252 A253 L256 | V229-V250 HydrophobicContact CG2-CG1 3.88Å; L239-V250 HydrophobicContact CD2-CG1 4.39Å; L239-V250 HydrophobicContact CD2-CG2 3.99Å; V250-A252 VanDerWaalsContact C-N 3.27Å; V250-A252 PolarHBondContact O-N 3.08Å; V250-A253 VanDerWaalsContact O-CB 3.3Å; V250-A253 WeakPolarHBondContact O-CB 3.21Å; V250-A253 PolarHBondContact O-N 3.14Å; V250-L256 HydrophobicContact CG1-CD2 3.75Å |
| 251 | V | 61 | Low | 63.5 | Low | 48 Ų | 48 | 62.6 Ų | 62.6 | 29% | 0.291 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -64.6 | -33.6 | 177.1 | -173.7 | 0 | 0 | 0 | 0 | 111.5 | D222 K225 S249 A253 | D222-V251 HydrophobicContact CB-CG1 3.67Å; D222-V251 VanDerWaalsContact OD1-CG1 3.22Å; D222-V251 WeakPolarHBondContact OD1-CG1 3.5Å; K225-V251 PolarHBondContact NZ-O 3.43Å; S249-V251 PolarHBondContact O-N 3.43Å; S249-V251 VanDerWaalsContact O-N 3.14Å; S249-V251 WeakPolarHBondContact OG-CB 3.33Å; S249-V251 PolarHBondContact OG-N 2.78Å; V251-A253 VanDerWaalsContact C-N 3.33Å |
| 252 | A | 62.1 | Low | 63.3 | Low | 42 Ų | 42 | 62.8 Ų | 62.8 | 35% | 0.347 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -82.2 | -9.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S249 V250 | S249-A252 PolarHBondContact O-N 3.46Å; V250-A252 VanDerWaalsContact C-N 3.27Å; V250-A252 PolarHBondContact O-N 3.08Å |
| 253 | A | 66.2 | Low | 63.4 | Low | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 38% | 0.375 | C | S | . | . | trans | -68.1 | 135.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K225 A242 V250 V251 L256 | K225-A253 WeakPolarHBondContact CE-O 3.44Å; K225-A253 PolarHBondContact NZ-O 3.32Å; A242-A253 HydrophobicContact CB-CB 3.48Å; A242-A253 VanDerWaalsContact CB-CB 3.48Å; V250-A253 VanDerWaalsContact O-CB 3.3Å; V250-A253 WeakPolarHBondContact O-CB 3.21Å; V250-A253 PolarHBondContact O-N 3.14Å; V251-A253 VanDerWaalsContact C-N 3.33Å; A253-L256 HydrophobicContact CB-CD2 4.09Å | ||
| 254 | E | 68.1 | Low | 64.2 | Low | 100 Ų | 100 | 63.1 Ų | 63.1 | 47% | 0.467 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -80.4 | -29.3 | 172.2 | -63.4 | -168.6 | 147.4 | 0 | 0 | 111.6 | K157 L243 D244 | K157-E254 PolarHBondContact N-O 3.35Å; K157-E254 VanDerWaalsContact N-O 3.12Å; L243-E254 PolarHBondContact O-N 3.33Å; D244-E254 HydrophobicContact CB-CG 4.32Å |
| 255 | A | 73.3 | Confident | 65.1 | Low | 9 Ų | 9 | 61.6 Ų | 61.6 | 7% | 0.074 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 142.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K157 Y159 A242 L243 | K157-A255 HydrophobicContact CB-CB 4.01Å; K157-A255 CarbonylContact O-C 3.46Å; K157-A255 WeakPolarHBondContact O-CA 3.16Å; Y159-A255 HydrophobicContact CD2-CB 4.25Å; Y159-A255 HydrophobicContact CE2-CB 3.94Å; A242-A255 WeakPolarHBondContact CA-O 3.39Å; L243-A255 HydrophobicContact CB-CB 4.43Å; L243-A255 PolarHBondContact N-O 3.17Å |
| 256 | L | 78.8 | Confident | 66.4 | Low | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.9 | 175.1 | -59.8 | 178 | 0 | 0 | 0 | 109.7 | L156 K157 V158 Y159 T228 V229 L239 V250 A253 F258 | L156-L256 HydrophobicContact CD1-CD1 3.94Å; L156-L256 HydrophobicContact CD1-CG 3.98Å; K157-L256 PolarHBondContact O-N 3.32Å; V158-L256 CarbonylContact C-O 3.59Å; V158-L256 WeakPolarHBondContact CA-O 3.37Å; Y159-L256 PolarHBondContact N-O 2.78Å; T228-L256 HydrophobicContact CG2-CD1 4.49Å; V229-L256 HydrophobicContact CG2-CD1 3.86Å; V229-L256 HydrophobicContact CG2-CD2 4.47Å; L239-L256 HydrophobicContact CD1-CB 4.18Å; L239-L256 HydrophobicContact CD1-CD2 4.13Å; V250-L256 HydrophobicContact CG1-CD2 3.75Å; A253-L256 HydrophobicContact CB-CD2 4.09Å; L256-F258 HydrophobicContact CB-CD2 4.46Å; L256-F258 HydrophobicContact CB-CE2 3.67Å; L256-F258 HydrophobicContact CB-CZ 4.05Å; L256-F258 HydrophobicContact CD1-CE2 4.27Å; L256-F258 HydrophobicContact CD1-CZ 4.23Å |
| 257 | H | 78.8 | Confident | 67.6 | Low | 51 Ų | 51 | 58.6 Ų | 58.6 | 24% | 0.236 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 121.6 | 179.8 | -64.7 | -174.2 | 0 | 0 | 0 | 110.5 | Y159 L239 V240 T241 L243 | Y159-H257 AromaticContact CD2-CD2 3.28Å; Y159-H257 WeakPolarHBondContact CD2-CD2 3.49Å; Y159-H257 AromaticContact CD2-NE2 3.19Å; Y159-H257 WeakPolarHBondContact CD2-NE2 3.31Å; Y159-H257 AromaticContact CE2-NE2 3.62Å; Y159-H257 AromaticContact CG-CD2 3.81Å; Y159-H257 AromaticContact CG-NE2 3.85Å; Y159-H257 WeakPolarHBondContact O-CA 3.33Å; L239-H257 WeakPolarHBondContact CA-O 3.34Å; V240-H257 HydrophobicContact CB-CB 4.44Å; V240-H257 PolarHBondContact N-O 3.14Å; T241-H257 PolarHBondContact O-N 3.34Å; T241-H257 VanDerWaalsContact O-N 3.12Å; T241-H257 WeakPolarHBondContact OG1-CB 3.46Å; T241-H257 VanDerWaalsContact OG1-CG 3.29Å; T241-H257 PolarHBondContact OG1-ND1 3.24Å; L243-H257 VanDerWaalsContact CD1-CE1 3.41Å; L243-H257 WeakPolarHBondContact CD1-CE1 3.29Å |
| 258 | F | 79.3 | Confident | 68.8 | Low | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.009 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 138.4 | 180 | -61.6 | -75.3 | 0 | 0 | 0 | 111.8 | V158 Y159 C160 F165 T228 V229 A232 F237 K238 L239 L256 | V158-F258 HydrophobicContact CG1-CD2 3.87Å; V158-F258 HydrophobicContact CG1-CE2 3.83Å; Y159-F258 PolarHBondContact O-N 3.42Å; C160-F258 WeakPolarHBondContact CA-O 3.47Å; C160-F258 HydrophobicContact CB-CB 4.47Å; F165-F258 HydrophobicContact CE1-CD2 4.07Å; F165-F258 HydrophobicContact CE1-CG 4.41Å; T228-F258 HydrophobicContact CG2-CE2 4.02Å; T228-F258 HydrophobicContact CG2-CZ 4.45Å; V229-F258 HydrophobicContact CB-CZ 4.46Å; V229-F258 HydrophobicContact CG2-CZ 3.98Å; A232-F258 HydrophobicContact CB-CD1 3.32Å; A232-F258 HydrophobicContact CB-CD2 4.32Å; A232-F258 HydrophobicContact CB-CE1 3.24Å; A232-F258 HydrophobicContact CB-CE2 4.25Å; A232-F258 HydrophobicContact CB-CG 3.87Å; A232-F258 HydrophobicContact CB-CZ 3.74Å; F237-F258 HydrophobicContact CB-CB 4.25Å; F237-F258 HydrophobicContact CD1-CB 4.32Å; K238-F258 WeakPolarHBondContact O-CA 3.45Å; L239-F258 HydrophobicContact CB-CD1 4.19Å; L239-F258 HydrophobicContact CB-CE1 3.95Å; L239-F258 HydrophobicContact CD1-CD1 4.01Å; L239-F258 HydrophobicContact CD1-CE1 3.54Å; L239-F258 HydrophobicContact CD1-CE2 4.48Å; L239-F258 HydrophobicContact CD1-CZ 3.82Å; L239-F258 HydrophobicContact CG-CE1 4.31Å; L256-F258 HydrophobicContact CB-CD2 4.46Å; L256-F258 HydrophobicContact CB-CE2 3.67Å; L256-F258 HydrophobicContact CB-CZ 4.05Å; L256-F258 HydrophobicContact CD1-CE2 4.27Å; L256-F258 HydrophobicContact CD1-CZ 4.23Å |
| 259 | V | 74.4 | Confident | 70.1 | Confident | 63 Ų | 63 | 47.8 Ų | 47.8 | 38% | 0.382 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 150.3 | 171 | -62.4 | 0 | 0 | 0 | 0 | 109.3 | F237 K238 V240 | F237-V259 CarbonylContact C-O 3.33Å; F237-V259 VanDerWaalsContact CA-O 3.25Å; F237-V259 WeakPolarHBondContact CA-O 3.48Å; F237-V259 WeakPolarHBondContact CB-O 3.5Å; K238-V259 HydrophobicContact CB-CG2 4.34Å; K238-V259 PolarHBondContact N-O 3.03Å; K238-V259 PolarHBondContact O-N 3.24Å; V240-V259 HydrophobicContact CG2-CB 3.97Å; V240-V259 HydrophobicContact CG2-CG1 3.6Å; V240-V259 HydrophobicContact CG2-CG2 3.27Å |
| 260 | K | 73.9 | Confident | 70.7 | Confident | 162 Ų | 162 | 47.5 Ų | 47.5 | 70% | 0.704 | 25% | 0.254 | S | S | * | . | trans | -83.3 | 0 | -179.9 | -157.2 | 168.2 | -170.3 | 169.4 | 0 | 111.7 | D162 F237 | D162-K260 IonicContact OD2-NZ 3.86Å; F237-K260 HydrophobicContact CD1-CB 3.93Å; F237-K260 HydrophobicContact CD1-CG 4.34Å; F237-K260 HydrophobicContact CE1-CB 3.73Å; F237-K260 HydrophobicContact CE1-CD 4.19Å; F237-K260 HydrophobicContact CE1-CG 4.06Å; F237-K260 HydrophobicContact CE2-CD 4.4Å; F237-K260 HydrophobicContact CE2-CG 4.46Å; F237-K260 HydrophobicContact CZ-CB 4.28Å; F237-K260 HydrophobicContact CZ-CD 3.9Å; F237-K260 HydrophobicContact CZ-CG 4.13Å |
Retrieved 260 of 260 residues in 85 ms
(Link to these results)