| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 55.9 | Low | 55.9 | Low | 191 Ų | 191 | 136.8 Ų | 136.8 | 94% | 0.941 | 64% | 0.639 | S | S | * | * | 0 | -57 | 0 | -90.6 | -154.4 | -61 | 0 | 0 | 112.3 | D4 | M1-D4 WeakPolarHBondContact CA-OD2 3.41Å; M1-D4 PolarHBondContact N-OD2 3.21Å | |||
| 2 | E | 55 | Low | 55.3 | Low | 169 Ų | 169 | 130.8 Ų | 130.8 | 79% | 0.79 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -75.7 | -37.6 | 177 | -71.5 | 179.7 | 162.9 | 0 | 0 | 112.8 | D4 Q5 E6 | E2-D4 VanDerWaalsContact C-N 3.34Å; E2-D4 PolarHBondContact O-N 3.37Å; E2-Q5 PolarHBondContact O-N 3Å; E2-E6 PolarHBondContact O-N 2.8Å |
| 3 | E | 52.6 | Low | 54.1 | Low | 168 Ų | 168 | 124 Ų | 124 | 79% | 0.785 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.7 | -32 | 176.7 | -66 | 179.7 | 160.6 | 0 | 0 | 113 | E6 L7 | E3-E6 PolarHBondContact O-N 3.41Å; E3-L7 PolarHBondContact O-N 3.06Å |
| 4 | D | 54.5 | Low | 53.2 | Low | 97 Ų | 97 | 124.9 Ų | 124.9 | 52% | 0.519 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -69.8 | -36.7 | 177.5 | -53.8 | -56.9 | 0 | 0 | 0 | 111.5 | M1 E2 L7 E8 | M1-D4 WeakPolarHBondContact CA-OD2 3.41Å; M1-D4 PolarHBondContact N-OD2 3.21Å; E2-D4 VanDerWaalsContact C-N 3.34Å; E2-D4 PolarHBondContact O-N 3.37Å; D4-L7 PolarHBondContact O-N 3.45Å; D4-E8 WeakPolarHBondContact O-CG 3.41Å; D4-E8 PolarHBondContact O-N 2.96Å |
| 5 | Q | 54.4 | Low | 52.3 | Low | 125 Ų | 125 | 127.5 Ų | 127.5 | 58% | 0.584 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.1 | -32 | 174.6 | -82 | -178.1 | -1.9 | 0 | 0 | 112.7 | E2 R9 | E2-Q5 PolarHBondContact O-N 3Å; Q5-R9 WeakPolarHBondContact O-CB 3.49Å; Q5-R9 WeakPolarHBondContact O-CG 3.41Å; Q5-R9 PolarHBondContact O-N 2.75Å |
| 6 | E | 58.6 | Low | 51.5 | Low | 110 Ų | 110 | 126.5 Ų | 126.5 | 51% | 0.514 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -72.3 | -35.3 | 175 | -163.9 | 176.7 | 147.9 | 0 | 0 | 111.7 | E2 E3 R9 K10 | E2-E6 PolarHBondContact O-N 2.8Å; E3-E6 PolarHBondContact O-N 3.41Å; E6-R9 PolarHBondContact O-N 3.29Å; E6-K10 WeakPolarHBondContact O-CB 3.49Å; E6-K10 WeakPolarHBondContact O-CG 3.34Å; E6-K10 PolarHBondContact O-N 3.03Å; E6-K10 WeakPolarHBondContact OE1-CE 3.45Å; E6-K10 IonicContact OE1-NZ 3.44Å; E6-K10 PolarHBondContact OE1-NZ 3.45Å |
| 7 | L | 57.3 | Low | 50.6 | Low | 104 Ų | 104 | 124.2 Ų | 124.2 | 55% | 0.545 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66.6 | -42.8 | 173.6 | -168.8 | 66.8 | 0 | 0 | 0 | 111.5 | E3 D4 K10 I11 | E3-L7 PolarHBondContact O-N 3.06Å; D4-L7 PolarHBondContact O-N 3.45Å; L7-K10 PolarHBondContact O-N 2.87Å; L7-I11 HydrophobicContact CG-CD1 3.98Å; L7-I11 WeakPolarHBondContact O-CB 3.42Å; L7-I11 WeakPolarHBondContact O-CD1 3.21Å; L7-I11 WeakPolarHBondContact O-CG1 3.49Å; L7-I11 PolarHBondContact O-N 3.4Å |
| 8 | E | 57.5 | Low | 50.1 | Low | 142 Ų | 142 | 127.2 Ų | 127.2 | 66% | 0.664 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -64.3 | -38.8 | 174.3 | -76.5 | -173.1 | 159.9 | 0 | 0 | 112.5 | D4 I11 S12 | D4-E8 WeakPolarHBondContact O-CG 3.41Å; D4-E8 PolarHBondContact O-N 2.96Å; E8-I11 PolarHBondContact O-N 3.37Å; E8-S12 WeakPolarHBondContact O-CB 3.46Å; E8-S12 PolarHBondContact O-N 3.39Å |
| 9 | R | 55.3 | Low | 50 | Low | 190 Ų | 190 | 124.4 Ų | 124.4 | 72% | 0.717 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -64.2 | -42 | 173.8 | -79.1 | 179.8 | 175.9 | -166 | 0.6 | 112 | Q5 E6 S12 G13 | Q5-R9 WeakPolarHBondContact O-CB 3.49Å; Q5-R9 WeakPolarHBondContact O-CG 3.41Å; Q5-R9 PolarHBondContact O-N 2.75Å; E6-R9 PolarHBondContact O-N 3.29Å; R9-S12 PolarHBondContact O-N 2.89Å; R9-S12 PolarHBondContact O-OG 2.91Å; R9-G13 PolarHBondContact O-N 2.93Å |
| 10 | K | 58.4 | Low | 49.4 | Very low | 129 Ų | 129 | 128.3 Ų | 128.3 | 56% | 0.561 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -65.8 | -38.8 | 175.1 | -76.9 | 173.3 | -176.2 | 159.1 | 0 | 112.4 | E6 L7 G13 L14 | E6-K10 WeakPolarHBondContact O-CB 3.49Å; E6-K10 WeakPolarHBondContact O-CG 3.34Å; E6-K10 PolarHBondContact O-N 3.03Å; E6-K10 WeakPolarHBondContact OE1-CE 3.45Å; E6-K10 IonicContact OE1-NZ 3.44Å; E6-K10 PolarHBondContact OE1-NZ 3.45Å; L7-K10 PolarHBondContact O-N 2.87Å; K10-G13 PolarHBondContact O-N 3Å; K10-L14 WeakPolarHBondContact O-CB 3.28Å; K10-L14 PolarHBondContact O-N 3.45Å |
| 11 | I | 55.7 | Low | 49 | Very low | 80 Ų | 80 | 125.3 Ų | 125.3 | 41% | 0.41 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -69.1 | -37.7 | 175.9 | -67.7 | 165.3 | 0 | 0 | 0 | 111.2 | L7 E8 K15 | L7-I11 HydrophobicContact CG-CD1 3.98Å; L7-I11 WeakPolarHBondContact O-CB 3.42Å; L7-I11 WeakPolarHBondContact O-CD1 3.21Å; L7-I11 WeakPolarHBondContact O-CG1 3.49Å; L7-I11 PolarHBondContact O-N 3.4Å; E8-I11 PolarHBondContact O-N 3.37Å; I11-K15 HydrophobicContact CG2-CD 4.33Å; I11-K15 WeakPolarHBondContact O-CB 3.48Å; I11-K15 VanDerWaalsContact O-CG 3.28Å; I11-K15 WeakPolarHBondContact O-CG 3.5Å; I11-K15 PolarHBondContact O-N 3.32Å; I11-K15 VanDerWaalsContact O-N 3.11Å |
| 12 | S | 48.2 | Very low | 48.7 | Very low | 65 Ų | 65 | 124.6 Ų | 124.6 | 46% | 0.455 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -68.7 | -37 | 174 | 83.8 | 0 | 0 | 0 | 0 | 112.4 | E8 R9 K15 T16 | E8-S12 WeakPolarHBondContact O-CB 3.46Å; E8-S12 PolarHBondContact O-N 3.39Å; R9-S12 PolarHBondContact O-N 2.89Å; R9-S12 PolarHBondContact O-OG 2.91Å; S12-K15 PolarHBondContact O-N 3.31Å; S12-T16 PolarHBondContact O-N 2.72Å; S12-T16 PolarHBondContact O-OG1 3.45Å |
| 13 | G | 39.6 | Very low | 48.7 | Very low | 42 Ų | 42 | 128.1 Ų | 128.1 | 43% | 0.433 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -67.7 | -38.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R9 K10 T16 | R9-G13 PolarHBondContact O-N 2.93Å; K10-G13 PolarHBondContact O-N 3Å; G13-T16 PolarHBondContact O-N 3.02Å |
| 14 | L | 42.2 | Very low | 49.1 | Very low | 137 Ų | 137 | 128.4 Ų | 128.4 | 72% | 0.717 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -71.4 | -29.8 | 174.9 | -135.3 | 78.4 | 0 | 0 | 0 | 112.7 | K10 T16 | K10-L14 WeakPolarHBondContact O-CB 3.28Å; K10-L14 PolarHBondContact O-N 3.45Å; L14-T16 PolarHBondContact O-N 3.3Å |
| 15 | K | 40.1 | Very low | 50.3 | Low | 163 Ų | 163 | 128.9 Ų | 128.9 | 71% | 0.709 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -72.7 | -15 | 173.8 | -75.6 | 178.2 | 179.5 | -176.9 | 0 | 113.4 | I11 S12 | I11-K15 HydrophobicContact CG2-CD 4.33Å; I11-K15 WeakPolarHBondContact O-CB 3.48Å; I11-K15 VanDerWaalsContact O-CG 3.28Å; I11-K15 WeakPolarHBondContact O-CG 3.5Å; I11-K15 PolarHBondContact O-N 3.32Å; I11-K15 VanDerWaalsContact O-N 3.11Å; S12-K15 PolarHBondContact O-N 3.31Å |
| 16 | T | 39.6 | Very low | 52 | Low | 112 Ų | 112 | 125.8 Ų | 125.8 | 69% | 0.687 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | -3.8 | -175 | -49.3 | 0 | 0 | 0 | 0 | 113.3 | S12 G13 L14 | S12-T16 PolarHBondContact O-N 2.72Å; S12-T16 PolarHBondContact O-OG1 3.45Å; G13-T16 PolarHBondContact O-N 3.02Å; L14-T16 PolarHBondContact O-N 3.3Å |
| 17 | S | 35.7 | Very low | 53.6 | Low | 88 Ų | 88 | 123.8 Ų | 123.8 | 62% | 0.615 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -104 | 7.7 | 179.6 | 67.1 | 0 | 0 | 0 | 0 | 115.6 | ||
| 18 | M | 42 | Very low | 55.4 | Low | 178 Ų | 178 | 123.8 Ų | 123.8 | 88% | 0.877 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -126.8 | 39.4 | 173.5 | -65.4 | -157.9 | 81.3 | 0 | 0 | 112.9 | ||
| 19 | A | 47.5 | Very low | 57.1 | Low | 74 Ų | 74 | 121 Ų | 121 | 61% | 0.612 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -144.9 | 70.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 20 | E | 38.7 | Very low | 58.9 | Low | 202 Ų | 202 | 115 Ų | 115 | 94% | 0.944 | 62% | 0.618 | S | S | * | * | trans | 175.4 | 52.5 | 146.2 | -98.8 | 170.4 | 179.1 | 0 | 0 | 110.4 | ||||
| 21 | G | 41.3 | Very low | 60.2 | Low | 65 Ų | 65 | 114 Ų | 114 | 67% | 0.67 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -89.1 | 133.4 | 151.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | R23 | G21-R23 PolarHBondContact O-N 3.12Š|
| 22 | E | 49.6 | Very low | 61.5 | Low | 176 Ų | 176 | 111.7 Ų | 111.7 | 82% | 0.822 | 61% | 0.608 | S | S | * | * | trans | -38 | 109.7 | 174.4 | -69.2 | 174.2 | 150.3 | 0 | 0 | 110.5 | K24 | E22-K24 PolarHBondContact O-N 3.22Š| ||
| 23 | R | 53.8 | Low | 62.9 | Low | 244 Ų | 244 | 113.7 Ų | 113.7 | 92% | 0.921 | 63% | 0.628 | S | S | * | * | trans | -67 | 90.4 | 171.4 | -81.9 | -176.1 | -176.8 | 145.6 | 1.7 | 107.1 | G21 T25 | G21-R23 PolarHBondContact O-N 3.12Å; R23-T25 PolarHBondContact O-N 3.41Å | ||
| 24 | K | 61 | Low | 64.6 | Low | 174 Ų | 174 | 115.8 Ų | 115.8 | 76% | 0.757 | 65% | 0.65 | S | S | * | * | trans | -60 | 129.7 | 169.4 | -70.3 | 179.9 | -179.6 | 175.7 | 0 | 107.4 | E22 A26 | E22-K24 PolarHBondContact O-N 3.22Å; K24-A26 PolarHBondContact O-N 3.15Å | ||
| 25 | T | 80.8 | Confident | 65.9 | Low | 107 Ų | 107 | 111 Ų | 111 | 66% | 0.656 | 63% | 0.627 | S | S | * | * | trans | -60.3 | 120.3 | 179.3 | -46.2 | 0 | 0 | 0 | 0 | 109 | R23 L27 H45 | R23-T25 PolarHBondContact O-N 3.41Å; T25-L27 WeakPolarHBondContact CG2-O 3.47Å; T25-L27 PolarHBondContact O-N 3.11Å; T25-H45 PolarHBondContact O-CD2 3.3Å | ||
| 26 | A | 88.3 | Confident | 67.4 | Low | 60 Ų | 60 | 110 Ų | 110 | 50% | 0.496 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -73.6 | -13.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K24 H45 | K24-A26 PolarHBondContact O-N 3.15Å; A26-H45 PolarHBondContact O-N 3.33Å |
| 27 | L | 94.1 | Very high | 69.4 | Low | 68 Ų | 68 | 112.7 Ų | 112.7 | 36% | 0.356 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.1 | 121.4 | -177.9 | 176.1 | 66.2 | 0 | 0 | 0 | 110.5 | T25 F42 V43 L44 F96 | T25-L27 WeakPolarHBondContact CG2-O 3.47Å; T25-L27 PolarHBondContact O-N 3.11Å; L27-F42 HydrophobicContact CD1-CB 4.1Å; L27-F42 HydrophobicContact CD1-CD1 4.09Å; L27-V43 WeakPolarHBondContact CA-O 3.32Å; L27-L44 HydrophobicContact CD1-CD2 3.57Å; L27-L44 HydrophobicContact CD1-CG 4.33Å; L27-F96 HydrophobicContact CD1-CZ 4.3Å; L27-F96 HydrophobicContact CD2-CE1 4.21Å |
| 28 | E | 94 | Very high | 71.9 | Confident | 103 Ų | 103 | 111.1 Ų | 111.1 | 48% | 0.481 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.2 | 144.1 | 169.7 | 178.1 | -174.2 | 172.9 | 0 | 0 | 110.2 | V30 F42 V43 | E28-V30 HydrophobicContact CG-CG2 4.24Å; E28-F42 CarbonylContact O-C 3.59Å; E28-F42 WeakPolarHBondContact O-CA 3.3Å; E28-V43 HydrophobicContact CB-CB 4.14Å; E28-V43 PolarHBondContact N-O 2.96Å; E28-V43 PolarHBondContact O-N 2.76Å |
| 29 | M | 93.5 | Very high | 74.3 | Confident | 85 Ų | 85 | 103 Ų | 103 | 42% | 0.419 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114 | 114.6 | 178.5 | -68.9 | 178.2 | 59.9 | 0 | 0 | 110.3 | V40 F42 V93 | M29-V40 HydrophobicContact CB-CG1 4.26Å; M29-V40 HydrophobicContact CE-CG1 4.14Å; M29-F42 HydrophobicContact CE-CE1 3.77Å; M29-F42 HydrophobicContact CE-CZ 4.26Å; M29-F42 HydrophobicContact CG-CD1 3.67Å; M29-F42 HydrophobicContact CG-CE1 3.69Å; M29-F42 HydrophobicContact SD-CD1 4.44Å; M29-F42 HydrophobicContact SD-CE1 3.89Å; M29-V93 HydrophobicContact CE-CG2 3.36Å; M29-V93 HydrophobicContact SD-CG2 4.38Å |
| 30 | V | 92.1 | Very high | 76.6 | Confident | 62 Ų | 62 | 99.6 Ų | 99.6 | 38% | 0.376 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 111.8 | 177.9 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | E28 T41 V43 | E28-V30 HydrophobicContact CG-CG2 4.24Å; V30-T41 PolarHBondContact N-O 3.28Å; V30-T41 PolarHBondContact O-N 3.42Å; V30-V43 HydrophobicContact CG2-CG2 4.05Å |
| 31 | Q | 86.9 | Confident | 79.3 | Confident | 110 Ų | 110 | 91.5 Ų | 91.5 | 51% | 0.514 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 142.9 | 178 | -62.2 | -177.1 | 1.9 | 0 | 0 | 110.6 | V40 | Q31-V40 HydrophobicContact CG-CG2 4.3Å |
| 32 | A | 82.1 | Confident | 81.9 | Confident | 31 Ų | 31 | 88.5 Ų | 88.5 | 26% | 0.256 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 137.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | G34 T35 C39 | A32-G34 PolarHBondContact O-N 3.28Å; A32-T35 PolarHBondContact O-N 3.35Å; A32-T35 PolarHBondContact O-OG1 3.11Å; A32-C39 HydrophobicContact CB-CB 4.32Å; A32-C39 PolarHBondContact N-O 3.33Å |
| 33 | A | 79.1 | Confident | 84.1 | Confident | 106 Ų | 106 | 80.8 Ų | 80.8 | 88% | 0.876 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 130.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 34 | G | 73.5 | Confident | 86.1 | Confident | 87 Ų | 87 | 70 Ų | 70 | 90% | 0.897 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 13.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | A32 | A32-G34 PolarHBondContact O-N 3.28Š|
| 35 | T | 70.9 | Confident | 87.8 | Confident | 36 Ų | 36 | 64.4 Ų | 64.4 | 22% | 0.221 | 38% | 0.376 | C | S | . | . | trans | -123.5 | 135.6 | 176.4 | 59.1 | 0 | 0 | 0 | 0 | 112.3 | A32 R37 C39 | A32-T35 PolarHBondContact O-N 3.35Å; A32-T35 PolarHBondContact O-OG1 3.11Å; T35-R37 PolarHBondContact O-N 3.38Å; T35-R37 VanDerWaalsContact O-N 3.08Å; T35-C39 HydrophobicContact CG2-CB 4.01Å; T35-C39 VanDerWaalsContact OG1-CB 3.26Å; T35-C39 WeakPolarHBondContact OG1-CB 3.34Å | ||
| 36 | D | 70.3 | Confident | 88.4 | Confident | 141 Ų | 141 | 67.5 Ų | 67.5 | 75% | 0.754 | 38% | 0.383 | S | S | * | . | trans | -85.2 | 77.7 | -175.5 | -72.6 | -18.6 | 0 | 0 | 0 | 111.3 | H38 | D36-H38 PolarHBondContact N-CD2 3.01Å; D36-H38 PolarHBondContact N-NE2 2.89Å; D36-H38 PolarHBondContact O-CD2 3.41Å; D36-H38 VanDerWaalsContact O-CD2 3.27Å; D36-H38 PolarHBondContact O-N 2.96Å | ||
| 37 | R | 81.8 | Confident | 88.7 | Confident | 170 Ų | 170 | 67.9 Ų | 67.9 | 64% | 0.642 | 38% | 0.375 | S | S | * | . | S | Bend | trans | 59 | -7.6 | 169.9 | -59.3 | -175.6 | -75.5 | -172.4 | -4.2 | 117.6 | T35 V40 A92 | T35-R37 PolarHBondContact O-N 3.38Å; T35-R37 VanDerWaalsContact O-N 3.08Å; R37-V40 WeakPolarHBondContact O-CG2 3.42Å; R37-A92 PolarHBondContact O-N 2.9Å |
| 38 | H | 88.7 | Confident | 88.7 | Confident | 54 Ų | 54 | 68.3 Ų | 68.3 | 25% | 0.25 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -76.4 | -15.1 | 173.4 | 63.4 | 86 | 0 | 0 | 0 | 112 | D36 Q85 T86 | D36-H38 PolarHBondContact N-CD2 3.01Å; D36-H38 PolarHBondContact N-NE2 2.89Å; D36-H38 PolarHBondContact O-CD2 3.41Å; D36-H38 VanDerWaalsContact O-CD2 3.27Å; D36-H38 PolarHBondContact O-N 2.96Å; H38-Q85 WeakPolarHBondContact O-CA 3.35Å; H38-T86 WeakPolarHBondContact CA-OG1 3.47Å; H38-T86 VanDerWaalsContact CB-OG1 3.29Å; H38-T86 WeakPolarHBondContact CB-OG1 3.46Å; H38-T86 PolarHBondContact O-N 3.49Å; H38-T86 PolarHBondContact O-OG1 3.08Å |
| 39 | C | 92.9 | Very high | 88.9 | Confident | 9 Ų | 9 | 68.3 Ų | 68.3 | 6% | 0.061 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 98.7 | -178.6 | -90.5 | 0 | 0 | 0 | 0 | 110.6 | A32 T35 R83 Q85 | A32-C39 HydrophobicContact CB-CB 4.32Å; A32-C39 PolarHBondContact N-O 3.33Å; T35-C39 HydrophobicContact CG2-CB 4.01Å; T35-C39 VanDerWaalsContact OG1-CB 3.26Å; T35-C39 WeakPolarHBondContact OG1-CB 3.34Å; C39-R83 VanDerWaalsContact CB-NH1 3.33Å; C39-Q85 VanDerWaalsContact SG-CG 3.56Å |
| 40 | V | 94.9 | Very high | 89 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.006 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 145.7 | -178.9 | -174.8 | 0 | 0 | 0 | 0 | 110.5 | M29 Q31 R37 F42 R83 I84 A92 | M29-V40 HydrophobicContact CB-CG1 4.26Å; M29-V40 HydrophobicContact CE-CG1 4.14Å; Q31-V40 HydrophobicContact CG-CG2 4.3Å; R37-V40 WeakPolarHBondContact O-CG2 3.42Å; V40-F42 HydrophobicContact CB-CE2 3.96Å; V40-F42 HydrophobicContact CB-CZ 4.14Å; V40-F42 HydrophobicContact CG1-CD1 4.45Å; V40-F42 HydrophobicContact CG1-CD2 4.29Å; V40-F42 HydrophobicContact CG1-CE1 4.17Å; V40-F42 HydrophobicContact CG1-CE2 3.97Å; V40-F42 HydrophobicContact CG1-CZ 3.91Å; V40-R83 VanDerWaalsContact N-NH1 3.13Å; V40-I84 PolarHBondContact N-O 3.43Å; V40-I84 VanDerWaalsContact N-O 3.12Å; V40-I84 PolarHBondContact O-N 2.93Å; V40-A92 HydrophobicContact CB-CB 4.08Å; V40-A92 HydrophobicContact CG2-CB 4Å |
| 41 | T | 95.9 | Very high | 89.2 | Confident | 33 Ų | 33 | 68.1 Ų | 68.1 | 20% | 0.202 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 118.1 | 165.6 | -54.7 | 0 | 0 | 0 | 0 | 108.1 | V30 N81 L82 R83 | V30-T41 PolarHBondContact N-O 3.28Å; V30-T41 PolarHBondContact O-N 3.42Å; T41-N81 HydrophobicContact CG2-CB 3.94Å; T41-L82 WeakPolarHBondContact CA-O 3.34Å; T41-R83 WeakPolarHBondContact OG1-CD 3.17Å |
| 42 | F | 96.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 0% | 0.004 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 120.9 | 173.4 | -61.4 | -87.8 | 0 | 0 | 0 | 108.5 | L27 E28 M29 V40 L82 I84 A92 V93 F96 | L27-F42 HydrophobicContact CD1-CB 4.1Å; L27-F42 HydrophobicContact CD1-CD1 4.09Å; E28-F42 CarbonylContact O-C 3.59Å; E28-F42 WeakPolarHBondContact O-CA 3.3Å; M29-F42 HydrophobicContact CE-CE1 3.77Å; M29-F42 HydrophobicContact CE-CZ 4.26Å; M29-F42 HydrophobicContact CG-CD1 3.67Å; M29-F42 HydrophobicContact CG-CE1 3.69Å; M29-F42 HydrophobicContact SD-CD1 4.44Å; M29-F42 HydrophobicContact SD-CE1 3.89Å; V40-F42 HydrophobicContact CB-CE2 3.96Å; V40-F42 HydrophobicContact CB-CZ 4.14Å; V40-F42 HydrophobicContact CG1-CD1 4.45Å; V40-F42 HydrophobicContact CG1-CD2 4.29Å; V40-F42 HydrophobicContact CG1-CE1 4.17Å; V40-F42 HydrophobicContact CG1-CE2 3.97Å; V40-F42 HydrophobicContact CG1-CZ 3.91Å; F42-L82 HydrophobicContact CB-CB 4.39Å; F42-L82 PolarHBondContact N-O 2.94Å; F42-L82 PolarHBondContact O-N 2.94Å; F42-I84 HydrophobicContact CD2-CD1 3.97Å; F42-I84 HydrophobicContact CD2-CG1 4.35Å; F42-I84 HydrophobicContact CE2-CB 4.37Å; F42-I84 HydrophobicContact CE2-CD1 3.78Å; F42-I84 HydrophobicContact CE2-CG1 4.31Å; F42-A92 HydrophobicContact CE2-CB 4.37Å; F42-V93 HydrophobicContact CE1-CG2 4.37Å; F42-V93 HydrophobicContact CZ-CG2 4.16Å; F42-F96 HydrophobicContact CB-CE2 4.45Å; F42-F96 HydrophobicContact CD1-CD1 4.44Å; F42-F96 HydrophobicContact CD1-CE1 4.47Å; F42-F96 HydrophobicContact CD1-CG 4.5Å; F42-F96 HydrophobicContact CD2-CD2 4.2Å; F42-F96 HydrophobicContact CD2-CG 4.47Å; F42-F96 HydrophobicContact CE1-CD1 4.23Å; F42-F96 HydrophobicContact CE1-CG 4.3Å; F42-F96 HydrophobicContact CE2-CB 4.18Å; F42-F96 HydrophobicContact CE2-CD2 4.43Å; F42-F96 HydrophobicContact CE2-CG 4.31Å; F42-F96 HydrophobicContact CG-CD2 4.29Å; F42-F96 HydrophobicContact CG-CE2 4.33Å; F42-F96 HydrophobicContact CZ-CB 4.09Å; F42-F96 HydrophobicContact CZ-CG 4.21Å |
| 43 | V | 96.3 | Very high | 90.3 | Very high | 14 Ų | 14 | 65.4 Ų | 65.4 | 9% | 0.085 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 112.5 | 173 | -173.1 | 0 | 0 | 0 | 0 | 107.1 | L27 E28 V30 K79 I80 | L27-V43 WeakPolarHBondContact CA-O 3.32Å; E28-V43 HydrophobicContact CB-CB 4.14Å; E28-V43 PolarHBondContact N-O 2.96Å; E28-V43 PolarHBondContact O-N 2.76Å; V30-V43 HydrophobicContact CG2-CG2 4.05Å; V43-K79 HydrophobicContact CG1-CD 4.39Å; V43-I80 WeakPolarHBondContact CA-O 3.41Å |
| 44 | L | 95.7 | Very high | 91.2 | Very high | 18 Ų | 18 | 62.9 Ų | 62.9 | 9% | 0.094 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 117.3 | 176.1 | -64.4 | 163.2 | 0 | 0 | 0 | 107.9 | L27 E47 L51 K79 I80 F96 | L27-L44 HydrophobicContact CD1-CD2 3.57Å; L27-L44 HydrophobicContact CD1-CG 4.33Å; L44-E47 HydrophobicContact CB-CB 4.05Å; L44-E47 HydrophobicContact CB-CG 4.18Å; L44-L51 HydrophobicContact CD1-CD2 4.47Å; L44-K79 WeakPolarHBondContact O-CA 3.49Å; L44-I80 HydrophobicContact CB-CD1 4.29Å; L44-I80 HydrophobicContact CB-CG1 3.71Å; L44-I80 HydrophobicContact CD1-CD1 3.8Å; L44-I80 HydrophobicContact CD1-CG1 4.02Å; L44-I80 HydrophobicContact CG-CG1 4.39Å; L44-I80 PolarHBondContact N-O 3.36Å; L44-I80 PolarHBondContact O-N 2.92Å; L44-F96 HydrophobicContact CD2-CZ 4.29Å |
| 45 | H | 95 | Very high | 92.3 | Very high | 56 Ų | 56 | 58.8 Ų | 58.8 | 26% | 0.259 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 152.1 | 175.6 | -64.6 | -97.8 | 0 | 0 | 0 | 110.5 | T25 A26 E47 | T25-H45 PolarHBondContact O-CD2 3.3Å; A26-H45 PolarHBondContact O-N 3.33Å; H45-E47 PolarHBondContact O-N 3.07Å |
| 46 | E | 94 | Very high | 93.6 | Very high | 172 Ų | 172 | 61.5 Ų | 61.5 | 80% | 0.804 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 19.7 | -179.1 | -55.7 | -173.8 | 157.1 | 0 | 0 | 113.8 | S78 | E46-S78 PolarHBondContact N-O 3.1Š|
| 47 | E | 94.9 | Very high | 94.9 | Very high | 68 Ų | 68 | 60.9 Ų | 60.9 | 32% | 0.318 | 29% | 0.292 | S | S | . | . | trans | -121.1 | 156 | -178.9 | -70 | -65.3 | 166.8 | 0 | 0 | 111.6 | L44 H45 L51 I80 | L44-E47 HydrophobicContact CB-CB 4.05Å; L44-E47 HydrophobicContact CB-CG 4.18Å; H45-E47 PolarHBondContact O-N 3.07Å; E47-L51 VanDerWaalsContact CD-CD2 3.48Å; E47-L51 HydrophobicContact CG-CD2 3.86Å; E47-L51 WeakPolarHBondContact OE2-CB 3.33Å; E47-I80 HydrophobicContact CB-CD1 4.13Å; E47-I80 HydrophobicContact CB-CG1 4.14Å | ||
| 48 | D | 94.9 | Very high | 95.7 | Very high | 78 Ų | 78 | 53.9 Ų | 53.9 | 42% | 0.417 | 27% | 0.267 | S | S | . | . | trans | -138.1 | -156.7 | -178.3 | 71.8 | 8.2 | 0 | 0 | 0 | 112.4 | T50 G52 | D48-T50 PolarHBondContact O-N 3.35Å; D48-T50 VanDerWaalsContact O-N 3.16Å; D48-T50 WeakPolarHBondContact OD1-CB 3.47Å; D48-T50 PolarHBondContact OD1-N 2.97Å; D48-T50 PolarHBondContact OD1-OG1 2.98Å; D48-G52 PolarHBondContact O-N 3Å | ||
| 49 | H | 96.4 | Very high | 96.1 | Very high | 103 Ų | 103 | 51.3 Ų | 51.3 | 48% | 0.477 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.9 | -22.9 | 178.7 | -62.6 | -74.2 | 0 | 0 | 0 | 113.8 | N53 Y70 | H49-N53 WeakPolarHBondContact O-CB 3.47Å; H49-N53 PolarHBondContact O-N 2.8Å; H49-Y70 HydrophobicContact CB-CE2 4.39Å; H49-Y70 AromaticContact CE1-CE2 3.99Å; H49-Y70 AromaticContact ND1-CE2 3.27Å; H49-Y70 VanDerWaalsContact ND1-CE2 3.27Å; H49-Y70 WeakPolarHBondContact ND1-CE2 3.5Å; H49-Y70 AromaticContact ND1-CZ 3.5Å; H49-Y70 PolarHBondContact ND1-OH 3.32Å |
| 50 | T | 96 | Very high | 96.2 | Very high | 100 Ų | 100 | 54.9 Ų | 54.9 | 61% | 0.613 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -62.3 | -59.4 | -176.7 | -51.9 | 0 | 0 | 0 | 0 | 111 | D48 S54 | D48-T50 PolarHBondContact O-N 3.35Å; D48-T50 VanDerWaalsContact O-N 3.16Å; D48-T50 WeakPolarHBondContact OD1-CB 3.47Å; D48-T50 PolarHBondContact OD1-N 2.97Å; D48-T50 PolarHBondContact OD1-OG1 2.98Å; T50-S54 WeakPolarHBondContact O-CB 3.48Å; T50-S54 PolarHBondContact O-OG 3.4Å |
| 51 | L | 95.9 | Very high | 96.3 | Very high | 43 Ų | 43 | 61 Ų | 61 | 23% | 0.225 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -75 | -40.6 | 174.8 | -177.1 | 62.1 | 0 | 0 | 0 | 110.9 | L44 E47 N53 S54 L55 L103 | L44-L51 HydrophobicContact CD1-CD2 4.47Å; E47-L51 VanDerWaalsContact CD-CD2 3.48Å; E47-L51 HydrophobicContact CG-CD2 3.86Å; E47-L51 WeakPolarHBondContact OE2-CB 3.33Å; L51-N53 PolarHBondContact O-N 3.33Å; L51-S54 PolarHBondContact O-N 2.98Å; L51-L55 HydrophobicContact CD1-CB 4.38Å; L51-L55 WeakPolarHBondContact O-CB 3.32Å; L51-L55 PolarHBondContact O-N 3.23Å; L51-L103 HydrophobicContact CD1-CD2 4.12Å |
| 52 | G | 96.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.4 | -48 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D48 R56 Y70 | D48-G52 PolarHBondContact O-N 3Å; G52-R56 WeakPolarHBondContact O-CB 3.28Å; G52-R56 PolarHBondContact O-N 3.48Å; G52-Y70 WeakPolarHBondContact O-CD1 3.42Å |
| 53 | N | 97 | Very high | 96.1 | Very high | 84 Ų | 84 | 64.7 Ų | 64.7 | 45% | 0.449 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -72.5 | -42.8 | -178.9 | -167 | 44.5 | 0 | 0 | 0 | 112.4 | H49 L51 Y57 Y70 | H49-N53 WeakPolarHBondContact O-CB 3.47Å; H49-N53 PolarHBondContact O-N 2.8Å; L51-N53 PolarHBondContact O-N 3.33Å; N53-Y57 PolarHBondContact O-N 3.29Å; N53-Y57 VanDerWaalsContact O-N 3.07Å; N53-Y70 HydrophobicContact CB-CE1 3.93Å |
| 54 | S | 97.4 | Very high | 96 | Very high | 52 Ų | 52 | 68.4 Ų | 68.4 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61 | -48.4 | 178.9 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | T50 L51 Y57 M58 | T50-S54 WeakPolarHBondContact O-CB 3.48Å; T50-S54 PolarHBondContact O-OG 3.4Å; L51-S54 PolarHBondContact O-N 2.98Å; S54-Y57 WeakPolarHBondContact O-CB 3.33Å; S54-Y57 PolarHBondContact O-N 3.14Å; S54-M58 PolarHBondContact O-N 3.09Å |
| 55 | L | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69 | -42 | -179.4 | -176.3 | 57 | 0 | 0 | 0 | 111.9 | L51 Y57 M58 I59 L82 F96 L100 | L51-L55 HydrophobicContact CD1-CB 4.38Å; L51-L55 WeakPolarHBondContact O-CB 3.32Å; L51-L55 PolarHBondContact O-N 3.23Å; L55-Y57 PolarHBondContact O-N 2.97Å; L55-M58 PolarHBondContact O-N 3.12Å; L55-I59 HydrophobicContact CD1-CD1 3.81Å; L55-I59 HydrophobicContact CD1-CG1 4.05Å; L55-I59 HydrophobicContact CD2-CD1 4.34Å; L55-I59 HydrophobicContact CG-CD1 3.68Å; L55-I59 HydrophobicContact CG-CG1 4.33Å; L55-I59 WeakPolarHBondContact O-CG1 3.36Å; L55-I59 PolarHBondContact O-N 3.27Å; L55-L82 HydrophobicContact CD2-CD2 3.86Å; L55-L82 HydrophobicContact CG-CD2 4.33Å; L55-F96 HydrophobicContact CD2-CD2 4.27Å; L55-F96 HydrophobicContact CD2-CE2 3.72Å; L55-F96 HydrophobicContact CD2-CZ 4.5Å; L55-L100 HydrophobicContact CD1-CD2 3.83Å; L55-L100 HydrophobicContact CD1-CG 3.95Å; L55-L100 HydrophobicContact CD2-CD2 3.83Å; L55-L100 HydrophobicContact CD2-CG 4.31Å; L55-L100 HydrophobicContact CG-CD2 4.46Å |
| 56 | R | 97.5 | Very high | 96.1 | Very high | 93 Ų | 93 | 70.3 Ų | 70.3 | 35% | 0.351 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -53.8 | -44.9 | 173.4 | 175.5 | -170.1 | 168 | -92.1 | -3.5 | 111.1 | G52 I59 M60 C68 Y70 | G52-R56 WeakPolarHBondContact O-CB 3.28Å; G52-R56 PolarHBondContact O-N 3.48Å; R56-I59 PolarHBondContact O-N 3.5Å; R56-M60 HydrophobicContact CG-CG 4.37Å; R56-M60 WeakPolarHBondContact O-CB 3.42Å; R56-M60 VanDerWaalsContact O-CG 3.3Å; R56-M60 WeakPolarHBondContact O-CG 3.27Å; R56-M60 PolarHBondContact O-N 3.49Å; R56-C68 PolarHBondContact NE-O 3.43Å; R56-Y70 HydrophobicContact CB-CD1 4.22Å |
| 57 | Y | 97.8 | Very high | 96.1 | Very high | 128 Ų | 128 | 66.9 Ų | 66.9 | 50% | 0.502 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60 | -47.2 | -179.7 | 177.6 | -93.9 | 0 | 0 | 0 | 111.8 | N53 S54 L55 M60 K61 | N53-Y57 PolarHBondContact O-N 3.29Å; N53-Y57 VanDerWaalsContact O-N 3.07Å; S54-Y57 WeakPolarHBondContact O-CB 3.33Å; S54-Y57 PolarHBondContact O-N 3.14Å; L55-Y57 PolarHBondContact O-N 2.97Å; Y57-M60 PolarHBondContact O-N 3.45Å; Y57-K61 PolarHBondContact O-N 2.85Å; Y57-K61 WeakPolarHBondContact OH-CE 3.37Å; Y57-K61 PolarHBondContact OH-NZ 2.91Å; Y57-K61 VanDerWaalsContact OH-NZ 3.1Å |
| 58 | M | 97.6 | Very high | 96.3 | Very high | 23 Ų | 23 | 63.9 Ų | 63.9 | 11% | 0.113 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 179.8 | -62.8 | -54.1 | -69 | 0 | 0 | 111.7 | S54 L55 M60 K61 E102 L103 V106 | S54-M58 PolarHBondContact O-N 3.09Å; L55-M58 PolarHBondContact O-N 3.12Å; M58-M60 VanDerWaalsContact C-N 3.32Å; M58-M60 PolarHBondContact O-N 3.16Å; M58-K61 WeakPolarHBondContact O-CB 3.49Å; M58-K61 PolarHBondContact O-N 3.01Å; M58-K61 VanDerWaalsContact O-N 3.08Å; M58-E102 HydrophobicContact CE-CB 3.57Å; M58-L103 HydrophobicContact CG-CB 3.98Å; M58-L103 HydrophobicContact CG-CD1 4.02Å; M58-V106 HydrophobicContact CE-CG2 3.95Å |
| 59 | I | 97.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.7 | -38.7 | 179.9 | -65.9 | 172.5 | 0 | 0 | 0 | 111.4 | L55 R56 K61 N62 V65 C68 L82 I84 P95 F96 | L55-I59 HydrophobicContact CD1-CD1 3.81Å; L55-I59 HydrophobicContact CD1-CG1 4.05Å; L55-I59 HydrophobicContact CD2-CD1 4.34Å; L55-I59 HydrophobicContact CG-CD1 3.68Å; L55-I59 HydrophobicContact CG-CG1 4.33Å; L55-I59 WeakPolarHBondContact O-CG1 3.36Å; L55-I59 PolarHBondContact O-N 3.27Å; R56-I59 PolarHBondContact O-N 3.5Å; I59-K61 PolarHBondContact O-N 2.91Å; I59-N62 VanDerWaalsContact O-CB 3.31Å; I59-N62 WeakPolarHBondContact O-CB 3.49Å; I59-N62 PolarHBondContact O-N 3.44Å; I59-V65 HydrophobicContact CG2-CG1 4.24Å; I59-V65 HydrophobicContact CG2-CG2 3.89Å; I59-C68 HydrophobicContact CG2-CB 3.96Å; I59-L82 HydrophobicContact CD1-CD2 4.06Å; I59-I84 HydrophobicContact CD1-CD1 3.72Å; I59-I84 HydrophobicContact CG2-CD1 4.25Å; I59-P95 HydrophobicContact CG2-CB 4.41Å; I59-F96 HydrophobicContact CD1-CD2 4.22Å |
| 60 | M | 96.4 | Very high | 96.4 | Very high | 84 Ų | 84 | 58.6 Ų | 58.6 | 41% | 0.414 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -13.3 | 176.7 | -77.2 | -64.2 | -58.2 | 0 | 0 | 114.1 | R56 Y57 M58 N62 V65 C68 | R56-M60 HydrophobicContact CG-CG 4.37Å; R56-M60 WeakPolarHBondContact O-CB 3.42Å; R56-M60 VanDerWaalsContact O-CG 3.3Å; R56-M60 WeakPolarHBondContact O-CG 3.27Å; R56-M60 PolarHBondContact O-N 3.49Å; Y57-M60 PolarHBondContact O-N 3.45Å; M58-M60 VanDerWaalsContact C-N 3.32Å; M58-M60 PolarHBondContact O-N 3.16Å; M60-N62 VanDerWaalsContact C-N 3.28Å; M60-V65 HydrophobicContact SD-CG1 4.46Å; M60-C68 HydrophobicContact CG-CB 3.93Å; M60-C68 HydrophobicContact SD-CB 3.61Å |
| 61 | K | 95.7 | Very high | 96.4 | Very high | 128 Ų | 128 | 57.8 Ų | 57.8 | 56% | 0.557 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -20.4 | 171.9 | -65 | -67.8 | -174.4 | 173 | 0 | 112.7 | Y57 M58 I59 P63 | Y57-K61 PolarHBondContact O-N 2.85Å; Y57-K61 WeakPolarHBondContact OH-CE 3.37Å; Y57-K61 PolarHBondContact OH-NZ 2.91Å; Y57-K61 VanDerWaalsContact OH-NZ 3.1Å; M58-K61 WeakPolarHBondContact O-CB 3.49Å; M58-K61 PolarHBondContact O-N 3.01Å; M58-K61 VanDerWaalsContact O-N 3.08Å; I59-K61 PolarHBondContact O-N 2.91Å; K61-P63 WeakPolarHBondContact O-CD 3.38Å |
| 62 | N | 94.3 | Very high | 96.3 | Very high | 13 Ų | 13 | 57.8 Ų | 57.8 | 7% | 0.07 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -75.4 | 118.9 | 179.4 | -174.8 | -5.7 | 0 | 0 | 0 | 110.3 | I59 M60 E64 V65 | I59-N62 VanDerWaalsContact O-CB 3.31Å; I59-N62 WeakPolarHBondContact O-CB 3.49Å; I59-N62 PolarHBondContact O-N 3.44Å; M60-N62 VanDerWaalsContact C-N 3.28Å; N62-E64 PolarHBondContact O-N 3.46Å; N62-E64 WeakPolarHBondContact OD1-CB 3.31Å; N62-E64 PolarHBondContact OD1-N 3.4Å; N62-V65 HydrophobicContact CB-CG2 3.94Å; N62-V65 WeakPolarHBondContact O-CB 3.17Å; N62-V65 PolarHBondContact O-N 2.96Å; N62-V65 VanDerWaalsContact O-N 3.1Å |
| 63 | P | 94.9 | Very high | 96.1 | Very high | 100 Ų | 100 | 60.7 Ų | 60.7 | 65% | 0.649 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -21.4 | -177.7 | 26.7 | -36 | 0 | 0 | 0 | 113.8 | K61 V65 | K61-P63 WeakPolarHBondContact O-CD 3.38Å; P63-V65 PolarHBondContact O-N 2.96Å |
| 64 | E | 94.2 | Very high | 95.9 | Very high | 91 Ų | 91 | 61.4 Ų | 61.4 | 43% | 0.425 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -12.4 | 178 | -58.5 | -54 | 127.9 | 0 | 0 | 113.1 | N62 T86 R87 L90 | N62-E64 PolarHBondContact O-N 3.46Å; N62-E64 WeakPolarHBondContact OD1-CB 3.31Å; N62-E64 PolarHBondContact OD1-N 3.4Å; E64-T86 VanDerWaalsContact O-CA 3.3Å; E64-T86 WeakPolarHBondContact O-CA 3.43Å; E64-R87 PolarHBondContact O-N 2.95Å; E64-L90 HydrophobicContact CB-CD2 4.16Å |
| 65 | V | 96.2 | Very high | 95.6 | Very high | 9 Ų | 9 | 64.8 Ų | 64.8 | 6% | 0.055 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 123.5 | 178.4 | 177.4 | 0 | 0 | 0 | 0 | 109.4 | I59 M60 N62 P63 C68 P95 | I59-V65 HydrophobicContact CG2-CG1 4.24Å; I59-V65 HydrophobicContact CG2-CG2 3.89Å; M60-V65 HydrophobicContact SD-CG1 4.46Å; N62-V65 HydrophobicContact CB-CG2 3.94Å; N62-V65 WeakPolarHBondContact O-CB 3.17Å; N62-V65 PolarHBondContact O-N 2.96Å; N62-V65 VanDerWaalsContact O-N 3.1Å; P63-V65 PolarHBondContact O-N 2.96Å; V65-C68 HydrophobicContact CG1-CB 3.93Å; V65-P95 HydrophobicContact CG2-CB 3.65Å; V65-P95 HydrophobicContact CG2-CG 4.01Å |
| 66 | E | 95.1 | Very high | 95.3 | Very high | 106 Ų | 106 | 69.7 Ų | 69.7 | 50% | 0.495 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -44.8 | 173.4 | -171 | 166.5 | -171.8 | 0 | 0 | 111.3 | Q85 R87 | E66-Q85 PolarHBondContact N-O 3.32Å; E66-R87 HydrophobicContact CB-CG 3.63Å; E66-R87 HydrophobicContact CG-CG 4.22Å |
| 67 | F | 95.8 | Very high | 95 | Very high | 100 Ų | 100 | 69.4 Ų | 69.4 | 44% | 0.439 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 132.1 | -176.8 | 179.9 | -90.8 | 0 | 0 | 0 | 110.6 | R83 I84 Q85 | F67-R83 HydrophobicContact CD1-CG 4.12Å; F67-R83 HydrophobicContact CE1-CB 4.07Å; F67-R83 HydrophobicContact CE1-CG 3.96Å; F67-I84 CarbonylContact O-C 3.58Å; F67-I84 WeakPolarHBondContact O-CA 3.43Å; F67-Q85 HydrophobicContact CB-CB 3.99Å; F67-Q85 HydrophobicContact CB-CG 4.07Å; F67-Q85 HydrophobicContact CD1-CG 4.25Å; F67-Q85 PolarHBondContact N-O 2.89Å; F67-Q85 VanDerWaalsContact N-O 3.16Å; F67-Q85 PolarHBondContact O-N 3.38Å |
| 68 | C | 97.3 | Very high | 94.7 | Very high | 4 Ų | 4 | 67.3 Ų | 67.3 | 3% | 0.027 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 127.2 | 167.5 | -177.6 | 0 | 0 | 0 | 0 | 110.6 | R56 I59 M60 V65 R83 | R56-C68 PolarHBondContact NE-O 3.43Å; I59-C68 HydrophobicContact CG2-CB 3.96Å; M60-C68 HydrophobicContact CG-CB 3.93Å; M60-C68 HydrophobicContact SD-CB 3.61Å; V65-C68 HydrophobicContact CG1-CB 3.93Å; C68-R83 VanDerWaalsContact CA-O 3.32Å; C68-R83 WeakPolarHBondContact CA-O 3.24Å |
| 69 | G | 97.3 | Very high | 94.5 | Very high | 17 Ų | 17 | 69 Ų | 69 | 18% | 0.175 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 151.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | L82 R83 | G69-L82 CarbonylContact O-C 3.6Å; G69-L82 WeakPolarHBondContact O-CA 3.49Å; G69-R83 PolarHBondContact N-O 3.35Å; G69-R83 VanDerWaalsContact N-O 3.13Å; G69-R83 PolarHBondContact O-N 2.79Å |
| 70 | Y | 97.4 | Very high | 94.5 | Very high | 53 Ų | 53 | 68.9 Ų | 68.9 | 21% | 0.208 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 152.5 | 174.7 | 81 | -80.9 | 0 | 0 | 0 | 110.9 | H49 G52 N53 R56 I80 N81 | H49-Y70 HydrophobicContact CB-CE2 4.39Å; H49-Y70 AromaticContact CE1-CE2 3.99Å; H49-Y70 AromaticContact ND1-CE2 3.27Å; H49-Y70 VanDerWaalsContact ND1-CE2 3.27Å; H49-Y70 WeakPolarHBondContact ND1-CE2 3.5Å; H49-Y70 AromaticContact ND1-CZ 3.5Å; H49-Y70 PolarHBondContact ND1-OH 3.32Å; G52-Y70 WeakPolarHBondContact O-CD1 3.42Å; N53-Y70 HydrophobicContact CB-CE1 3.93Å; R56-Y70 HydrophobicContact CB-CD1 4.22Å; Y70-I80 HydrophobicContact CD2-CB 4.41Å; Y70-I80 HydrophobicContact CD2-CG2 4.23Å; Y70-N81 CarbonylContact C-O 3.58Å; Y70-N81 WeakPolarHBondContact CA-O 3.32Å |
| 71 | T | 96.4 | Very high | 94.5 | Very high | 84 Ų | 84 | 67 Ų | 67 | 52% | 0.515 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 140.8 | 173.3 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | I80 N81 | T71-I80 WeakPolarHBondContact O-CA 3.31Å; T71-N81 HydrophobicContact CG2-CB 3.93Å; T71-N81 PolarHBondContact N-O 2.99Å; T71-N81 PolarHBondContact O-N 3.48Å |
| 72 | T | 93.6 | Very high | 94.6 | Very high | 43 Ų | 43 | 60.9 Ų | 60.9 | 26% | 0.264 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 130.9 | 168.4 | 42.4 | 0 | 0 | 0 | 0 | 108.5 | I80 | T72-I80 HydrophobicContact CG2-CG2 3.77Å |
| 73 | T | 90.9 | Very high | 94.7 | Very high | 60 Ų | 60 | 62.7 Ų | 62.7 | 37% | 0.368 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -62.9 | -46.8 | -177.5 | 48.2 | 0 | 0 | 0 | 0 | 111.5 | E77 K79 N81 | T73-E77 PolarHBondContact OG1-OE2 3.45Å; T73-K79 PolarHBondContact N-O 2.94Å; T73-N81 VanDerWaalsContact CG2-ND2 3.27Å; T73-N81 WeakPolarHBondContact CG2-ND2 3.46Å |
| 74 | H | 92.8 | Very high | 94.8 | Very high | 99 Ų | 99 | 58 Ų | 58 | 46% | 0.458 | 32% | 0.316 | S | S | . | . | trans | -157.3 | 141.6 | 176.7 | -174.8 | -93.3 | 0 | 0 | 0 | 108.5 | S76 E77 | H74-S76 PolarHBondContact CE1-OG 2.93Å; H74-S76 VanDerWaalsContact ND1-CB 3.34Å; H74-S76 WeakPolarHBondContact ND1-CB 3.24Å; H74-S76 PolarHBondContact ND1-N 3.47Å; H74-S76 VanDerWaalsContact ND1-N 3.13Å; H74-S76 PolarHBondContact ND1-OG 3.23Å; H74-S76 PolarHBondContact O-N 2.97Å; H74-E77 HydrophobicContact CB-CG 4.28Å; H74-E77 PolarHBondContact O-N 3.04Å; H74-E77 VanDerWaalsContact O-O 3.06Å | ||
| 75 | P | 91.4 | Very high | 94.8 | Very high | 123 Ų | 123 | 56.3 Ų | 56.3 | 80% | 0.799 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -24.9 | -178 | -27 | 35.4 | 0 | 0 | 0 | 115.2 | E77 | P75-E77 VanDerWaalsContact C-N 3.34Š|
| 76 | S | 92 | Very high | 94.8 | Very high | 104 Ų | 104 | 56 Ų | 56 | 73% | 0.727 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -5.6 | 176.5 | -48.3 | 0 | 0 | 0 | 0 | 114.2 | H74 | H74-S76 PolarHBondContact CE1-OG 2.93Å; H74-S76 VanDerWaalsContact ND1-CB 3.34Å; H74-S76 WeakPolarHBondContact ND1-CB 3.24Å; H74-S76 PolarHBondContact ND1-N 3.47Å; H74-S76 VanDerWaalsContact ND1-N 3.13Å; H74-S76 PolarHBondContact ND1-OG 3.23Å; H74-S76 PolarHBondContact O-N 2.97Å |
| 77 | E | 89.9 | Confident | 94.5 | Very high | 87 Ų | 87 | 58.5 Ų | 58.5 | 41% | 0.407 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -113.1 | 124.9 | 176.8 | -63.4 | -169.9 | 160.4 | 0 | 0 | 109.9 | T73 H74 P75 K79 | T73-E77 PolarHBondContact OG1-OE2 3.45Å; H74-E77 HydrophobicContact CB-CG 4.28Å; H74-E77 PolarHBondContact O-N 3.04Å; H74-E77 VanDerWaalsContact O-O 3.06Å; P75-E77 VanDerWaalsContact C-N 3.34Å; E77-K79 PolarHBondContact O-N 3.23Å; E77-K79 IonicContact OE1-NZ 2.71Å; E77-K79 PolarHBondContact OE1-NZ 3.33Å; E77-K79 VanDerWaalsContact OE2-CE 3.3Å; E77-K79 WeakPolarHBondContact OE2-CE 3.5Å; E77-K79 IonicContact OE2-NZ 2.75Å; E77-K79 PolarHBondContact OE2-NZ 3.22Å |
| 78 | S | 92.2 | Very high | 94 | Very high | 85 Ų | 85 | 55.5 Ų | 55.5 | 59% | 0.594 | 31% | 0.308 | S | S | * | . | trans | -77.9 | 71.9 | 172.3 | -55.5 | 0 | 0 | 0 | 0 | 110.1 | E46 | E46-S78 PolarHBondContact N-O 3.1Š| ||
| 79 | K | 94.1 | Very high | 93.4 | Very high | 57 Ų | 57 | 62.1 Ų | 62.1 | 25% | 0.248 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 135.2 | 177.4 | -80.7 | 177.4 | -101.1 | 157.8 | 0 | 110.4 | V43 L44 T73 E77 | V43-K79 HydrophobicContact CG1-CD 4.39Å; L44-K79 WeakPolarHBondContact O-CA 3.49Å; T73-K79 PolarHBondContact N-O 2.94Å; E77-K79 PolarHBondContact O-N 3.23Å; E77-K79 IonicContact OE1-NZ 2.71Å; E77-K79 PolarHBondContact OE1-NZ 3.33Å; E77-K79 VanDerWaalsContact OE2-CE 3.3Å; E77-K79 WeakPolarHBondContact OE2-CE 3.5Å; E77-K79 IonicContact OE2-NZ 2.75Å; E77-K79 PolarHBondContact OE2-NZ 3.22Å |
| 80 | I | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 138.7 | 168.7 | 62 | 173.9 | 0 | 0 | 0 | 111.2 | V43 L44 E47 Y70 T71 T72 | V43-I80 WeakPolarHBondContact CA-O 3.41Å; L44-I80 HydrophobicContact CB-CD1 4.29Å; L44-I80 HydrophobicContact CB-CG1 3.71Å; L44-I80 HydrophobicContact CD1-CD1 3.8Å; L44-I80 HydrophobicContact CD1-CG1 4.02Å; L44-I80 HydrophobicContact CG-CG1 4.39Å; L44-I80 PolarHBondContact N-O 3.36Å; L44-I80 PolarHBondContact O-N 2.92Å; E47-I80 HydrophobicContact CB-CD1 4.13Å; E47-I80 HydrophobicContact CB-CG1 4.14Å; Y70-I80 HydrophobicContact CD2-CB 4.41Å; Y70-I80 HydrophobicContact CD2-CG2 4.23Å; T71-I80 WeakPolarHBondContact O-CA 3.31Å; T72-I80 HydrophobicContact CG2-CG2 3.77Å |
| 81 | N | 96.8 | Very high | 92.8 | Very high | 43 Ų | 43 | 62.8 Ų | 62.8 | 23% | 0.23 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 107.2 | 171.4 | -68 | -22.5 | 0 | 0 | 0 | 108.6 | T41 Y70 T71 T73 | T41-N81 HydrophobicContact CG2-CB 3.94Å; Y70-N81 CarbonylContact C-O 3.58Å; Y70-N81 WeakPolarHBondContact CA-O 3.32Å; T71-N81 HydrophobicContact CG2-CB 3.93Å; T71-N81 PolarHBondContact N-O 2.99Å; T71-N81 PolarHBondContact O-N 3.48Å; T73-N81 VanDerWaalsContact CG2-ND2 3.27Å; T73-N81 WeakPolarHBondContact CG2-ND2 3.46Å |
| 82 | L | 97.4 | Very high | 92.7 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 107.8 | 175.9 | -177.8 | 73 | 0 | 0 | 0 | 109.7 | T41 F42 L55 I59 G69 I84 F96 | T41-L82 WeakPolarHBondContact CA-O 3.34Å; F42-L82 HydrophobicContact CB-CB 4.39Å; F42-L82 PolarHBondContact N-O 2.94Å; F42-L82 PolarHBondContact O-N 2.94Å; L55-L82 HydrophobicContact CD2-CD2 3.86Å; L55-L82 HydrophobicContact CG-CD2 4.33Å; I59-L82 HydrophobicContact CD1-CD2 4.06Å; G69-L82 CarbonylContact O-C 3.6Å; G69-L82 WeakPolarHBondContact O-CA 3.49Å; L82-I84 HydrophobicContact CD2-CD1 4.2Å; L82-I84 HydrophobicContact CG-CG1 4.34Å; L82-F96 HydrophobicContact CD2-CD2 3.83Å; L82-F96 HydrophobicContact CD2-CE2 3.74Å |
| 83 | R | 96.8 | Very high | 92.8 | Very high | 51 Ų | 51 | 59.4 Ų | 59.4 | 19% | 0.192 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 126.9 | 177.8 | -175.5 | 75.3 | 168.5 | 89.9 | 1.6 | 109.6 | C39 V40 T41 F67 C68 G69 Q85 | C39-R83 VanDerWaalsContact CB-NH1 3.33Å; V40-R83 VanDerWaalsContact N-NH1 3.13Å; T41-R83 WeakPolarHBondContact OG1-CD 3.17Å; F67-R83 HydrophobicContact CD1-CG 4.12Å; F67-R83 HydrophobicContact CE1-CB 4.07Å; F67-R83 HydrophobicContact CE1-CG 3.96Å; C68-R83 VanDerWaalsContact CA-O 3.32Å; C68-R83 WeakPolarHBondContact CA-O 3.24Å; G69-R83 PolarHBondContact N-O 3.35Å; G69-R83 VanDerWaalsContact N-O 3.13Å; G69-R83 PolarHBondContact O-N 2.79Å; R83-Q85 VanDerWaalsContact NH2-NE2 3.14Å |
| 84 | I | 96.2 | Very high | 93 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 134.7 | 173.8 | -58.1 | 175.2 | 0 | 0 | 0 | 109.2 | V40 F42 I59 F67 L82 A92 F96 | V40-I84 PolarHBondContact N-O 3.43Å; V40-I84 VanDerWaalsContact N-O 3.12Å; V40-I84 PolarHBondContact O-N 2.93Å; F42-I84 HydrophobicContact CD2-CD1 3.97Å; F42-I84 HydrophobicContact CD2-CG1 4.35Å; F42-I84 HydrophobicContact CE2-CB 4.37Å; F42-I84 HydrophobicContact CE2-CD1 3.78Å; F42-I84 HydrophobicContact CE2-CG1 4.31Å; I59-I84 HydrophobicContact CD1-CD1 3.72Å; I59-I84 HydrophobicContact CG2-CD1 4.25Å; F67-I84 CarbonylContact O-C 3.58Å; F67-I84 WeakPolarHBondContact O-CA 3.43Å; L82-I84 HydrophobicContact CD2-CD1 4.2Å; L82-I84 HydrophobicContact CG-CG1 4.34Å; I84-A92 HydrophobicContact CB-CB 4.16Å; I84-A92 HydrophobicContact CG2-CB 3.96Å; I84-F96 HydrophobicContact CD1-CB 3.83Å; I84-F96 HydrophobicContact CD1-CD2 3.97Å; I84-F96 HydrophobicContact CD1-CG 4.37Å |
| 85 | Q | 95.3 | Very high | 93.1 | Very high | 56 Ų | 56 | 56 Ų | 56 | 26% | 0.262 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 124.9 | 172 | -50 | -175.4 | -0.4 | 0 | 0 | 108.6 | H38 C39 E66 F67 R83 | H38-Q85 WeakPolarHBondContact O-CA 3.35Å; C39-Q85 VanDerWaalsContact SG-CG 3.56Å; E66-Q85 PolarHBondContact N-O 3.32Å; F67-Q85 HydrophobicContact CB-CB 3.99Å; F67-Q85 HydrophobicContact CB-CG 4.07Å; F67-Q85 HydrophobicContact CD1-CG 4.25Å; F67-Q85 PolarHBondContact N-O 2.89Å; F67-Q85 VanDerWaalsContact N-O 3.16Å; F67-Q85 PolarHBondContact O-N 3.38Å; R83-Q85 VanDerWaalsContact NH2-NE2 3.14Å |
| 86 | T | 94.9 | Very high | 93.4 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 150 | 174.5 | 49.4 | 0 | 0 | 0 | 0 | 110.5 | H38 E64 G88 L90 P95 | H38-T86 WeakPolarHBondContact CA-OG1 3.47Å; H38-T86 VanDerWaalsContact CB-OG1 3.29Å; H38-T86 WeakPolarHBondContact CB-OG1 3.46Å; H38-T86 PolarHBondContact O-N 3.49Å; H38-T86 PolarHBondContact O-OG1 3.08Å; E64-T86 VanDerWaalsContact O-CA 3.3Å; E64-T86 WeakPolarHBondContact O-CA 3.43Å; T86-G88 VanDerWaalsContact C-N 3.28Å; T86-G88 PolarHBondContact O-N 3.38Å; T86-L90 HydrophobicContact CG2-CD2 4.28Å; T86-L90 PolarHBondContact OG1-O 3.1Å; T86-P95 HydrophobicContact CG2-CG 3.63Å |
| 87 | R | 90.7 | Very high | 93.6 | Very high | 158 Ų | 158 | 51.5 Ų | 51.5 | 60% | 0.596 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -71.4 | -20.5 | -178 | -67.2 | -179.3 | 179.4 | -74.4 | -4.6 | 113.9 | E64 E66 | E64-R87 PolarHBondContact O-N 2.95Å; E66-R87 HydrophobicContact CB-CG 3.63Å; E66-R87 HydrophobicContact CG-CG 4.22Å |
| 88 | G | 84.2 | Confident | 93.9 | Very high | 36 Ų | 36 | 52.8 Ų | 52.8 | 37% | 0.371 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -127.9 | -154.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T86 L90 | T86-G88 VanDerWaalsContact C-N 3.28Å; T86-G88 PolarHBondContact O-N 3.38Å; G88-L90 PolarHBondContact O-N 2.93Å |
| 89 | T | 84.1 | Confident | 94.2 | Very high | 144 Ų | 144 | 48.8 Ų | 48.8 | 88% | 0.883 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -81.5 | -2.3 | 179.2 | 53.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 90 | L | 89.4 | Confident | 94.3 | Very high | 42 Ų | 42 | 49 Ų | 49 | 22% | 0.22 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -62 | 126.4 | 178.4 | -167.6 | 84.5 | 0 | 0 | 0 | 109.9 | E64 T86 G88 E94 P95 | E64-L90 HydrophobicContact CB-CD2 4.16Å; T86-L90 HydrophobicContact CG2-CD2 4.28Å; T86-L90 PolarHBondContact OG1-O 3.1Å; G88-L90 PolarHBondContact O-N 2.93Å; L90-E94 HydrophobicContact CD1-CB 4.48Å; L90-E94 VanDerWaalsContact CD1-OE2 3.24Å; L90-E94 WeakPolarHBondContact CD1-OE2 3.45Å; L90-E94 HydrophobicContact CD2-CB 4.3Å; L90-E94 HydrophobicContact CG-CB 4.3Å; L90-P95 HydrophobicContact CD2-CG 3.74Å |
| 91 | P | 93.3 | Very high | 94.4 | Very high | 42 Ų | 42 | 53.1 Ų | 53.1 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | trans | -65.7 | 139.9 | 176.3 | 27.5 | -33.3 | 0 | 0 | 0 | 110.7 | V93 E94 P95 | P91-V93 PolarHBondContact O-N 3.36Å; P91-E94 HydrophobicContact CG-CG 4.14Å; P91-E94 WeakPolarHBondContact CG-OE1 3.34Å; P91-E94 PolarHBondContact O-N 2.98Å; P91-E94 VanDerWaalsContact O-N 3.08Å; P91-P95 VanDerWaalsContact O-CD 3.24Å; P91-P95 WeakPolarHBondContact O-CD 3.09Å | ||
| 92 | A | 94 | Very high | 94.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -14.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R37 V40 F42 I84 E94 P95 F96 | R37-A92 PolarHBondContact O-N 2.9Å; V40-A92 HydrophobicContact CB-CB 4.08Å; V40-A92 HydrophobicContact CG2-CB 4Å; F42-A92 HydrophobicContact CE2-CB 4.37Å; I84-A92 HydrophobicContact CB-CB 4.16Å; I84-A92 HydrophobicContact CG2-CB 3.96Å; A92-E94 VanDerWaalsContact C-N 3.32Å; A92-P95 WeakPolarHBondContact O-CD 3.47Å; A92-F96 WeakPolarHBondContact O-CB 3.29Å; A92-F96 PolarHBondContact O-N 3.21Å |
| 93 | V | 95.1 | Very high | 94.5 | Very high | 55 Ų | 55 | 56 Ų | 56 | 33% | 0.333 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.4 | -35.1 | 174.7 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | M29 F42 P91 F96 Q97 | M29-V93 HydrophobicContact CE-CG2 3.36Å; M29-V93 HydrophobicContact SD-CG2 4.38Å; F42-V93 HydrophobicContact CE1-CG2 4.37Å; F42-V93 HydrophobicContact CZ-CG2 4.16Å; P91-V93 PolarHBondContact O-N 3.36Å; V93-F96 WeakPolarHBondContact O-CB 3.45Å; V93-F96 PolarHBondContact O-N 3.36Å; V93-Q97 PolarHBondContact O-N 3.38Å |
| 94 | E | 95.2 | Very high | 94.5 | Very high | 88 Ų | 88 | 59.6 Ų | 59.6 | 41% | 0.411 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.2 | -50.7 | -177.5 | -78.3 | -175.9 | -134.9 | 0 | 0 | 112.5 | L90 P91 A92 F96 Q97 R98 | L90-E94 HydrophobicContact CD1-CB 4.48Å; L90-E94 VanDerWaalsContact CD1-OE2 3.24Å; L90-E94 WeakPolarHBondContact CD1-OE2 3.45Å; L90-E94 HydrophobicContact CD2-CB 4.3Å; L90-E94 HydrophobicContact CG-CB 4.3Å; P91-E94 HydrophobicContact CG-CG 4.14Å; P91-E94 WeakPolarHBondContact CG-OE1 3.34Å; P91-E94 PolarHBondContact O-N 2.98Å; P91-E94 VanDerWaalsContact O-N 3.08Å; A92-E94 VanDerWaalsContact C-N 3.32Å; E94-F96 VanDerWaalsContact C-N 3.25Å; E94-F96 PolarHBondContact O-N 3.34Å; E94-Q97 PolarHBondContact O-N 3.36Å; E94-R98 WeakPolarHBondContact O-CB 3.11Å; E94-R98 PolarHBondContact O-N 3.34Å |
| 95 | P | 95.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.5 | -35.1 | 171.9 | -24.7 | 33.2 | 0 | 0 | 0 | 113.5 | I59 V65 T86 L90 P91 A92 G99 | I59-P95 HydrophobicContact CG2-CB 4.41Å; V65-P95 HydrophobicContact CG2-CB 3.65Å; V65-P95 HydrophobicContact CG2-CG 4.01Å; T86-P95 HydrophobicContact CG2-CG 3.63Å; L90-P95 HydrophobicContact CD2-CG 3.74Å; P91-P95 VanDerWaalsContact O-CD 3.24Å; P91-P95 WeakPolarHBondContact O-CD 3.09Å; A92-P95 WeakPolarHBondContact O-CD 3.47Å; P95-G99 PolarHBondContact O-N 3.08Å |
| 96 | F | 96.7 | Very high | 94.8 | Very high | 15 Ų | 15 | 64 Ų | 64 | 7% | 0.066 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.6 | -51.8 | 177.3 | 178.7 | -104.3 | 0 | 0 | 0 | 111.5 | L27 F42 L44 L55 I59 L82 I84 A92 V93 E94 R98 G99 L100 | L27-F96 HydrophobicContact CD1-CZ 4.3Å; L27-F96 HydrophobicContact CD2-CE1 4.21Å; F42-F96 HydrophobicContact CB-CE2 4.45Å; F42-F96 HydrophobicContact CD1-CD1 4.44Å; F42-F96 HydrophobicContact CD1-CE1 4.47Å; F42-F96 HydrophobicContact CD1-CG 4.5Å; F42-F96 HydrophobicContact CD2-CD2 4.2Å; F42-F96 HydrophobicContact CD2-CG 4.47Å; F42-F96 HydrophobicContact CE1-CD1 4.23Å; F42-F96 HydrophobicContact CE1-CG 4.3Å; F42-F96 HydrophobicContact CE2-CB 4.18Å; F42-F96 HydrophobicContact CE2-CD2 4.43Å; F42-F96 HydrophobicContact CE2-CG 4.31Å; F42-F96 HydrophobicContact CG-CD2 4.29Å; F42-F96 HydrophobicContact CG-CE2 4.33Å; F42-F96 HydrophobicContact CZ-CB 4.09Å; F42-F96 HydrophobicContact CZ-CG 4.21Å; L44-F96 HydrophobicContact CD2-CZ 4.29Å; L55-F96 HydrophobicContact CD2-CD2 4.27Å; L55-F96 HydrophobicContact CD2-CE2 3.72Å; L55-F96 HydrophobicContact CD2-CZ 4.5Å; I59-F96 HydrophobicContact CD1-CD2 4.22Å; L82-F96 HydrophobicContact CD2-CD2 3.83Å; L82-F96 HydrophobicContact CD2-CE2 3.74Å; I84-F96 HydrophobicContact CD1-CB 3.83Å; I84-F96 HydrophobicContact CD1-CD2 3.97Å; I84-F96 HydrophobicContact CD1-CG 4.37Å; A92-F96 WeakPolarHBondContact O-CB 3.29Å; A92-F96 PolarHBondContact O-N 3.21Å; V93-F96 WeakPolarHBondContact O-CB 3.45Å; V93-F96 PolarHBondContact O-N 3.36Å; E94-F96 VanDerWaalsContact C-N 3.25Å; E94-F96 PolarHBondContact O-N 3.34Å; F96-R98 PolarHBondContact O-N 3Å; F96-G99 PolarHBondContact O-N 3.38Å; F96-L100 HydrophobicContact CD1-CD1 4.08Å; F96-L100 HydrophobicContact CE1-CD1 3.58Å; F96-L100 HydrophobicContact CE2-CD1 4.47Å; F96-L100 HydrophobicContact CZ-CD1 3.81Å; F96-L100 PolarHBondContact O-N 3.18Å; F96-L100 VanDerWaalsContact O-N 3.1Å |
| 97 | Q | 96.9 | Very high | 94.9 | Very high | 117 Ų | 117 | 67.4 Ų | 67.4 | 55% | 0.547 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 178.4 | -172.8 | 179.1 | 4.5 | 0 | 0 | 111.9 | V93 E94 L100 N101 | V93-Q97 PolarHBondContact O-N 3.38Å; E94-Q97 PolarHBondContact O-N 3.36Å; Q97-L100 PolarHBondContact O-N 3.2Å; Q97-N101 PolarHBondContact O-N 3.08Å; Q97-N101 VanDerWaalsContact O-N 3.08Å; Q97-N101 PolarHBondContact O-ND2 3.48Å |
| 98 | R | 97 | Very high | 95.3 | Very high | 113 Ų | 113 | 64.7 Ų | 64.7 | 43% | 0.426 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.9 | -47.6 | 175.1 | -176.3 | 178.7 | -63 | 170.4 | 1.7 | 111.2 | E94 F96 L100 N101 E102 | E94-R98 WeakPolarHBondContact O-CB 3.11Å; E94-R98 PolarHBondContact O-N 3.34Å; F96-R98 PolarHBondContact O-N 3Å; R98-L100 VanDerWaalsContact C-N 3.31Å; R98-L100 PolarHBondContact O-N 3.34Å; R98-N101 PolarHBondContact O-N 3.35Å; R98-E102 WeakPolarHBondContact CD-OE1 3.48Å; R98-E102 HydrophobicContact CG-CG 4.24Å; R98-E102 VanDerWaalsContact CG-OE1 3.27Å; R98-E102 WeakPolarHBondContact CG-OE1 3.3Å; R98-E102 WeakPolarHBondContact O-CB 3.18Å; R98-E102 WeakPolarHBondContact O-CG 3.49Å; R98-E102 PolarHBondContact O-N 3.3Å |
| 99 | G | 97.3 | Very high | 96 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.6 | -38.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P95 F96 L103 | P95-G99 PolarHBondContact O-N 3.08Å; F96-G99 PolarHBondContact O-N 3.38Å; G99-L103 VanDerWaalsContact O-CB 3.31Å; G99-L103 WeakPolarHBondContact O-CB 3.43Å; G99-L103 PolarHBondContact O-N 3.21Å |
| 100 | L | 97.8 | Very high | 96.7 | Very high | 62 Ų | 62 | 65.5 Ų | 65.5 | 33% | 0.325 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.3 | -47.6 | 174.5 | -74.3 | 170.3 | 0 | 0 | 0 | 112.1 | L55 F96 Q97 R98 L103 M104 | L55-L100 HydrophobicContact CD1-CD2 3.83Å; L55-L100 HydrophobicContact CD1-CG 3.95Å; L55-L100 HydrophobicContact CD2-CD2 3.83Å; L55-L100 HydrophobicContact CD2-CG 4.31Å; L55-L100 HydrophobicContact CG-CD2 4.46Å; F96-L100 HydrophobicContact CD1-CD1 4.08Å; F96-L100 HydrophobicContact CE1-CD1 3.58Å; F96-L100 HydrophobicContact CE2-CD1 4.47Å; F96-L100 HydrophobicContact CZ-CD1 3.81Å; F96-L100 PolarHBondContact O-N 3.18Å; F96-L100 VanDerWaalsContact O-N 3.1Å; Q97-L100 PolarHBondContact O-N 3.2Å; R98-L100 VanDerWaalsContact C-N 3.31Å; R98-L100 PolarHBondContact O-N 3.34Å; L100-L103 PolarHBondContact O-N 3.28Å; L100-M104 WeakPolarHBondContact O-CB 3.34Å; L100-M104 PolarHBondContact O-N 2.79Å |
| 101 | N | 98.1 | Very high | 97.1 | Very high | 86 Ų | 86 | 67.1 Ų | 67.1 | 46% | 0.46 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 179.8 | -73 | -25.1 | 0 | 0 | 0 | 112.1 | Q97 R98 M104 S105 | Q97-N101 PolarHBondContact O-N 3.08Å; Q97-N101 VanDerWaalsContact O-N 3.08Å; Q97-N101 PolarHBondContact O-ND2 3.48Å; R98-N101 PolarHBondContact O-N 3.35Å; N101-M104 PolarHBondContact O-N 3.36Å; N101-S105 PolarHBondContact O-N 2.96Å |
| 102 | E | 97.6 | Very high | 97.3 | Very high | 75 Ų | 75 | 69 Ų | 69 | 35% | 0.35 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 176.5 | -71.4 | 177.3 | -176.7 | 0 | 0 | 111.4 | M58 R98 M104 S105 V106 | M58-E102 HydrophobicContact CE-CB 3.57Å; R98-E102 WeakPolarHBondContact CD-OE1 3.48Å; R98-E102 HydrophobicContact CG-CG 4.24Å; R98-E102 VanDerWaalsContact CG-OE1 3.27Å; R98-E102 WeakPolarHBondContact CG-OE1 3.3Å; R98-E102 WeakPolarHBondContact O-CB 3.18Å; R98-E102 WeakPolarHBondContact O-CG 3.49Å; R98-E102 PolarHBondContact O-N 3.3Å; E102-M104 VanDerWaalsContact C-N 3.33Å; E102-M104 PolarHBondContact O-N 2.93Å; E102-S105 PolarHBondContact O-N 2.93Å; E102-V106 WeakPolarHBondContact O-CG2 3.41Å; E102-V106 PolarHBondContact O-N 3.36Å |
| 103 | L | 97.9 | Very high | 97.6 | Very high | 29 Ų | 29 | 74.8 Ų | 74.8 | 15% | 0.152 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 175 | -176.7 | 58.2 | 0 | 0 | 0 | 111.2 | L51 M58 G99 L100 S105 V106 C107 | L51-L103 HydrophobicContact CD1-CD2 4.12Å; M58-L103 HydrophobicContact CG-CB 3.98Å; M58-L103 HydrophobicContact CG-CD1 4.02Å; G99-L103 VanDerWaalsContact O-CB 3.31Å; G99-L103 WeakPolarHBondContact O-CB 3.43Å; G99-L103 PolarHBondContact O-N 3.21Å; L100-L103 PolarHBondContact O-N 3.28Å; L103-S105 VanDerWaalsContact C-N 3.33Å; L103-S105 PolarHBondContact O-N 2.81Å; L103-V106 PolarHBondContact O-N 2.82Å; L103-C107 PolarHBondContact O-N 2.9Å; L103-C107 PolarHBondContact O-SG 2.84Å; L103-C107 VanDerWaalsContact O-SG 3.34Å |
| 104 | M | 98.1 | Very high | 97.7 | Very high | 127 Ų | 127 | 78.4 Ų | 78.4 | 63% | 0.626 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -60.2 | -43.2 | 176.4 | -173.6 | 175.1 | 66.6 | 0 | 0 | 111.6 | L100 N101 E102 V106 C107 Q108 | L100-M104 WeakPolarHBondContact O-CB 3.34Å; L100-M104 PolarHBondContact O-N 2.79Å; N101-M104 PolarHBondContact O-N 3.36Å; E102-M104 VanDerWaalsContact C-N 3.33Å; E102-M104 PolarHBondContact O-N 2.93Å; M104-V106 VanDerWaalsContact C-N 3.35Å; M104-V106 PolarHBondContact O-N 3.16Å; M104-C107 PolarHBondContact O-N 3.21Å; M104-Q108 PolarHBondContact O-N 2.79Å |
| 105 | S | 98.1 | Very high | 97.9 | Very high | 78 Ų | 78 | 79.5 Ų | 79.5 | 55% | 0.545 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.6 | -38.5 | 176.5 | -174.1 | 0 | 0 | 0 | 0 | 112.6 | N101 E102 L103 H109 | N101-S105 PolarHBondContact O-N 2.96Å; E102-S105 PolarHBondContact O-N 2.93Å; L103-S105 VanDerWaalsContact C-N 3.33Å; L103-S105 PolarHBondContact O-N 2.81Å; S105-H109 WeakPolarHBondContact O-CB 3.3Å; S105-H109 PolarHBondContact O-N 3.05Å |
| 106 | V | 98.1 | Very high | 98 | Very high | 71 Ų | 71 | 82.3 Ų | 82.3 | 43% | 0.43 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.6 | -46.8 | 175.6 | 170 | 0 | 0 | 0 | 0 | 110.2 | M58 E102 L103 M104 Q108 H109 V110 | M58-V106 HydrophobicContact CE-CG2 3.95Å; E102-V106 WeakPolarHBondContact O-CG2 3.41Å; E102-V106 PolarHBondContact O-N 3.36Å; L103-V106 PolarHBondContact O-N 2.82Å; M104-V106 VanDerWaalsContact C-N 3.35Å; M104-V106 PolarHBondContact O-N 3.16Å; V106-Q108 VanDerWaalsContact C-N 3.34Å; V106-Q108 PolarHBondContact O-N 3Å; V106-H109 PolarHBondContact O-N 3.18Å; V106-V110 HydrophobicContact CG1-CG2 4.38Å; V106-V110 WeakPolarHBondContact O-CG2 3.47Å; V106-V110 PolarHBondContact O-N 3.27Å |
| 107 | C | 98.1 | Very high | 98.1 | Very high | 75 Ų | 75 | 85.3 Ų | 85.3 | 51% | 0.507 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.3 | -44 | 177.5 | -69.4 | 0 | 0 | 0 | 0 | 112.1 | L103 M104 H109 V110 L111 | L103-C107 PolarHBondContact O-N 2.9Å; L103-C107 PolarHBondContact O-SG 2.84Å; L103-C107 VanDerWaalsContact O-SG 3.34Å; M104-C107 PolarHBondContact O-N 3.21Å; C107-H109 PolarHBondContact O-N 3.37Å; C107-V110 PolarHBondContact O-N 2.72Å; C107-L111 PolarHBondContact O-N 2.67Å |
| 108 | Q | 98.4 | Very high | 98.2 | Very high | 101 Ų | 101 | 82.8 Ų | 82.8 | 47% | 0.472 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 176.3 | -173.1 | 61.9 | 54 | 0 | 0 | 111.3 | M104 V106 V110 L111 D112 | M104-Q108 PolarHBondContact O-N 2.79Å; V106-Q108 VanDerWaalsContact C-N 3.34Å; V106-Q108 PolarHBondContact O-N 3Å; Q108-V110 VanDerWaalsContact C-N 3.33Å; Q108-V110 PolarHBondContact O-N 2.74Å; Q108-L111 PolarHBondContact O-N 3.42Å; Q108-D112 PolarHBondContact NE2-OD1 2.94Å; Q108-D112 PolarHBondContact O-N 3.3Å |
| 109 | H | 98.5 | Very high | 98.2 | Very high | 106 Ų | 106 | 83.9 Ų | 83.9 | 49% | 0.491 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 179 | -171.6 | 72.7 | 0 | 0 | 0 | 112.5 | S105 V106 C107 L111 K113 | S105-H109 WeakPolarHBondContact O-CB 3.3Å; S105-H109 PolarHBondContact O-N 3.05Å; V106-H109 PolarHBondContact O-N 3.18Å; C107-H109 PolarHBondContact O-N 3.37Å; H109-L111 VanDerWaalsContact C-N 3.34Å; H109-K113 VanDerWaalsContact CE1-CE 3.41Å; H109-K113 WeakPolarHBondContact CE1-CE 3.41Å; H109-K113 VanDerWaalsContact O-CG 3.28Å; H109-K113 WeakPolarHBondContact O-CG 3.49Å; H109-K113 PolarHBondContact O-N 3.05Å; H109-K113 VanDerWaalsContact O-N 3.14Å |
| 110 | V | 98.5 | Very high | 98.3 | Very high | 91 Ų | 91 | 88 Ų | 88 | 55% | 0.552 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.5 | -43.3 | 176.9 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | V106 C107 Q108 K113 F114 | V106-V110 HydrophobicContact CG1-CG2 4.38Å; V106-V110 WeakPolarHBondContact O-CG2 3.47Å; V106-V110 PolarHBondContact O-N 3.27Å; C107-V110 PolarHBondContact O-N 2.72Å; Q108-V110 VanDerWaalsContact C-N 3.33Å; Q108-V110 PolarHBondContact O-N 2.74Å; V110-K113 PolarHBondContact O-N 3.18Å; V110-F114 WeakPolarHBondContact O-CB 3.48Å; V110-F114 PolarHBondContact O-N 3.1Å |
| 111 | L | 98.6 | Very high | 98.3 | Very high | 77 Ų | 77 | 91.9 Ų | 91.9 | 40% | 0.403 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.4 | -51.1 | 177.9 | -179.2 | 61.6 | 0 | 0 | 0 | 111.5 | C107 Q108 H109 K113 F114 E115 | C107-L111 PolarHBondContact O-N 2.67Å; Q108-L111 PolarHBondContact O-N 3.42Å; H109-L111 VanDerWaalsContact C-N 3.34Å; L111-K113 VanDerWaalsContact C-N 3.28Å; L111-K113 PolarHBondContact O-N 3.49Å; L111-F114 PolarHBondContact O-N 3.08Å; L111-F114 VanDerWaalsContact O-N 3.12Å; L111-E115 HydrophobicContact CD1-CG 4.08Å; L111-E115 HydrophobicContact CG-CG 4.47Å; L111-E115 WeakPolarHBondContact O-CG 3.46Å; L111-E115 PolarHBondContact O-N 3.04Å |
| 112 | D | 98.6 | Very high | 98.3 | Very high | 80 Ų | 80 | 94.2 Ų | 94.2 | 43% | 0.428 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.7 | -42.8 | -178.9 | -63.4 | -16.2 | 0 | 0 | 0 | 111.6 | Q108 A116 | Q108-D112 PolarHBondContact NE2-OD1 2.94Å; Q108-D112 PolarHBondContact O-N 3.3Å; D112-A116 WeakPolarHBondContact O-CB 3.17Å; D112-A116 PolarHBondContact O-N 3.1Å; D112-A116 VanDerWaalsContact O-N 3.09Å |
| 113 | K | 98.8 | Very high | 98.2 | Very high | 123 Ų | 123 | 94.7 Ų | 94.7 | 54% | 0.535 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.1 | -42.8 | 177.9 | -68.7 | -61.7 | -178.1 | -173.7 | 0 | 111.8 | H109 V110 L111 A116 S117 | H109-K113 VanDerWaalsContact CE1-CE 3.41Å; H109-K113 WeakPolarHBondContact CE1-CE 3.41Å; H109-K113 VanDerWaalsContact O-CG 3.28Å; H109-K113 WeakPolarHBondContact O-CG 3.49Å; H109-K113 PolarHBondContact O-N 3.05Å; H109-K113 VanDerWaalsContact O-N 3.14Å; V110-K113 PolarHBondContact O-N 3.18Å; L111-K113 VanDerWaalsContact C-N 3.28Å; L111-K113 PolarHBondContact O-N 3.49Å; K113-A116 PolarHBondContact O-N 3.02Å; K113-S117 WeakPolarHBondContact O-CB 3.19Å; K113-S117 PolarHBondContact O-N 2.83Å; K113-S117 PolarHBondContact O-OG 2.82Å |
| 114 | F | 98.6 | Very high | 98.1 | Very high | 130 Ų | 130 | 98.4 Ų | 98.4 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63 | -47.9 | 179 | -179.3 | -102.3 | 0 | 0 | 0 | 111.6 | V110 L111 A116 S117 I118 | V110-F114 WeakPolarHBondContact O-CB 3.48Å; V110-F114 PolarHBondContact O-N 3.1Å; L111-F114 PolarHBondContact O-N 3.08Å; L111-F114 VanDerWaalsContact O-N 3.12Å; F114-A116 PolarHBondContact O-N 3.45Å; F114-S117 PolarHBondContact O-N 2.94Å; F114-I118 HydrophobicContact CD1-CG1 4.21Å; F114-I118 HydrophobicContact CD2-CG1 4.4Å; F114-I118 HydrophobicContact CE1-CD1 4.48Å; F114-I118 HydrophobicContact CE1-CG1 3.81Å; F114-I118 HydrophobicContact CE2-CD1 4.16Å; F114-I118 HydrophobicContact CE2-CG1 4.02Å; F114-I118 HydrophobicContact CG-CG1 4.5Å; F114-I118 HydrophobicContact CZ-CD1 3.92Å; F114-I118 HydrophobicContact CZ-CG1 3.71Å; F114-I118 WeakPolarHBondContact O-CG1 3.3Å; F114-I118 PolarHBondContact O-N 3.02Å |
| 115 | E | 98.4 | Very high | 98.1 | Very high | 112 Ų | 112 | 98 Ų | 98 | 52% | 0.523 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 178.6 | -70.4 | -175.5 | 165.1 | 0 | 0 | 112.1 | L111 S117 I118 K119 | L111-E115 HydrophobicContact CD1-CG 4.08Å; L111-E115 HydrophobicContact CG-CG 4.47Å; L111-E115 WeakPolarHBondContact O-CG 3.46Å; L111-E115 PolarHBondContact O-N 3.04Å; E115-S117 PolarHBondContact O-N 2.81Å; E115-I118 PolarHBondContact O-N 3.12Å; E115-K119 WeakPolarHBondContact O-CB 3.26Å; E115-K119 PolarHBondContact O-N 2.82Å |
| 116 | A | 98.4 | Very high | 97.9 | Very high | 60 Ų | 60 | 96.8 Ų | 96.8 | 50% | 0.496 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.1 | -46 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | D112 K113 F114 K119 D120 | D112-A116 WeakPolarHBondContact O-CB 3.17Å; D112-A116 PolarHBondContact O-N 3.1Å; D112-A116 VanDerWaalsContact O-N 3.09Å; K113-A116 PolarHBondContact O-N 3.02Å; F114-A116 PolarHBondContact O-N 3.45Å; A116-K119 PolarHBondContact O-N 3.07Å; A116-D120 WeakPolarHBondContact O-CB 3.27Å; A116-D120 PolarHBondContact O-N 3.33Å |
| 117 | S | 98.4 | Very high | 97.6 | Very high | 77 Ų | 77 | 96.6 Ų | 96.6 | 54% | 0.538 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.9 | -36.6 | 178.3 | -66.5 | 0 | 0 | 0 | 0 | 113 | K113 F114 E115 Y121 | K113-S117 WeakPolarHBondContact O-CB 3.19Å; K113-S117 PolarHBondContact O-N 2.83Å; K113-S117 PolarHBondContact O-OG 2.82Å; F114-S117 PolarHBondContact O-N 2.94Å; E115-S117 PolarHBondContact O-N 2.81Å; S117-Y121 WeakPolarHBondContact O-CB 3.22Å; S117-Y121 PolarHBondContact O-N 2.71Å |
| 118 | I | 98.4 | Very high | 97.2 | Very high | 65 Ų | 65 | 102.1 Ų | 102.1 | 33% | 0.333 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.4 | -40 | 175.9 | -71.7 | -66.2 | 0 | 0 | 0 | 111.2 | F114 E115 K122 | F114-I118 HydrophobicContact CD1-CG1 4.21Å; F114-I118 HydrophobicContact CD2-CG1 4.4Å; F114-I118 HydrophobicContact CE1-CD1 4.48Å; F114-I118 HydrophobicContact CE1-CG1 3.81Å; F114-I118 HydrophobicContact CE2-CD1 4.16Å; F114-I118 HydrophobicContact CE2-CG1 4.02Å; F114-I118 HydrophobicContact CG-CG1 4.5Å; F114-I118 HydrophobicContact CZ-CD1 3.92Å; F114-I118 HydrophobicContact CZ-CG1 3.71Å; F114-I118 WeakPolarHBondContact O-CG1 3.3Å; F114-I118 PolarHBondContact O-N 3.02Å; E115-I118 PolarHBondContact O-N 3.12Å; I118-K122 HydrophobicContact CG2-CD 4.22Å; I118-K122 WeakPolarHBondContact O-CG 3.4Å; I118-K122 PolarHBondContact O-N 3Å |
| 119 | K | 98.3 | Very high | 96.4 | Very high | 136 Ų | 136 | 102 Ų | 102 | 59% | 0.591 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.4 | -51.6 | 175.1 | -173.9 | -171.4 | 172.8 | -144.8 | 0 | 110.6 | E115 A116 Y121 K122 D123 | E115-K119 WeakPolarHBondContact O-CB 3.26Å; E115-K119 PolarHBondContact O-N 2.82Å; A116-K119 PolarHBondContact O-N 3.07Å; K119-Y121 VanDerWaalsContact C-N 3.32Å; K119-Y121 PolarHBondContact O-N 3.44Å; K119-K122 PolarHBondContact O-N 2.88Å; K119-K122 VanDerWaalsContact O-N 3.1Å; K119-D123 VanDerWaalsContact O-CG 3.27Å; K119-D123 PolarHBondContact O-N 2.9Å |
| 120 | D | 98.3 | Very high | 95.3 | Very high | 87 Ų | 87 | 104.5 Ų | 104.5 | 47% | 0.465 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.1 | -44.6 | 178.1 | 180 | 47.7 | 0 | 0 | 0 | 112.2 | A116 K122 D123 Q124 | A116-D120 WeakPolarHBondContact O-CB 3.27Å; A116-D120 PolarHBondContact O-N 3.33Å; D120-K122 PolarHBondContact O-N 2.8Å; D120-D123 PolarHBondContact O-N 2.83Å; D120-Q124 WeakPolarHBondContact O-CB 3.32Å; D120-Q124 VanDerWaalsContact O-CG 3.3Å; D120-Q124 WeakPolarHBondContact O-CG 3.1Å; D120-Q124 PolarHBondContact O-N 2.87Å; D120-Q124 PolarHBondContact OD1-NE2 2.95Å; D120-Q124 PolarHBondContact OD2-NE2 3.35Å |
| 121 | Y | 98.1 | Very high | 93.7 | Very high | 143 Ų | 143 | 104.7 Ų | 104.7 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.1 | -42.5 | 175.8 | 176.3 | -99 | 0 | 0 | 0 | 113.2 | S117 K119 K125 | S117-Y121 WeakPolarHBondContact O-CB 3.22Å; S117-Y121 PolarHBondContact O-N 2.71Å; K119-Y121 VanDerWaalsContact C-N 3.32Å; K119-Y121 PolarHBondContact O-N 3.44Å; Y121-K125 HydrophobicContact CE1-CD 4.37Å; Y121-K125 WeakPolarHBondContact O-CB 3.34Å; Y121-K125 PolarHBondContact O-N 3.47Å |
| 122 | K | 97.2 | Very high | 91.9 | Very high | 135 Ų | 135 | 106.4 Ų | 106.4 | 59% | 0.587 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.2 | -42.2 | 178 | -74.2 | 175.3 | 179.5 | 177.9 | 0 | 111.4 | I118 K119 D120 K125 A126 | I118-K122 HydrophobicContact CG2-CD 4.22Å; I118-K122 WeakPolarHBondContact O-CG 3.4Å; I118-K122 PolarHBondContact O-N 3Å; K119-K122 PolarHBondContact O-N 2.88Å; K119-K122 VanDerWaalsContact O-N 3.1Å; D120-K122 PolarHBondContact O-N 2.8Å; K122-K125 PolarHBondContact O-N 3.05Å; K122-A126 PolarHBondContact O-N 3.16Å |
| 123 | D | 96.8 | Very high | 89.6 | Confident | 86 Ų | 86 | 114.7 Ų | 114.7 | 46% | 0.46 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63 | -46.4 | 178.8 | -67.7 | -11.8 | 0 | 0 | 0 | 110.4 | K119 D120 K125 A126 S127 | K119-D123 VanDerWaalsContact O-CG 3.27Å; K119-D123 PolarHBondContact O-N 2.9Å; D120-D123 PolarHBondContact O-N 2.83Å; D123-K125 PolarHBondContact O-N 3.42Å; D123-A126 PolarHBondContact O-N 3.43Å; D123-S127 PolarHBondContact O-N 2.81Å; D123-S127 PolarHBondContact O-OG 3.29Å |
| 124 | Q | 96.4 | Very high | 89.1 | Confident | 107 Ų | 107 | 114.3 Ų | 114.3 | 50% | 0.5 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.9 | -37.8 | 175.9 | -71 | 176.2 | 31.7 | 0 | 0 | 113.2 | D120 S127 R128 | D120-Q124 WeakPolarHBondContact O-CB 3.32Å; D120-Q124 VanDerWaalsContact O-CG 3.3Å; D120-Q124 WeakPolarHBondContact O-CG 3.1Å; D120-Q124 PolarHBondContact O-N 2.87Å; D120-Q124 PolarHBondContact OD1-NE2 2.95Å; D120-Q124 PolarHBondContact OD2-NE2 3.35Å; Q124-S127 PolarHBondContact O-OG 2.93Å; Q124-R128 WeakPolarHBondContact O-CB 3.27Å; Q124-R128 PolarHBondContact O-N 2.86Å; Q124-R128 VanDerWaalsContact O-N 3.15Å |
| 125 | K | 96.3 | Very high | 88.6 | Confident | 117 Ų | 117 | 113.5 Ų | 113.5 | 51% | 0.509 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.5 | -39.3 | 177.2 | -175.9 | 178.5 | 175.6 | -179.4 | 0 | 111.4 | Y121 K122 D123 N129 | Y121-K125 HydrophobicContact CE1-CD 4.37Å; Y121-K125 WeakPolarHBondContact O-CB 3.34Å; Y121-K125 PolarHBondContact O-N 3.47Å; K122-K125 PolarHBondContact O-N 3.05Å; D123-K125 PolarHBondContact O-N 3.42Å; K125-N129 PolarHBondContact O-N 3.13Å |
| 126 | A | 94.5 | Very high | 88.1 | Confident | 54 Ų | 54 | 113.6 Ų | 113.6 | 45% | 0.446 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.9 | -48.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K122 D123 R128 N129 E130 | K122-A126 PolarHBondContact O-N 3.16Å; D123-A126 PolarHBondContact O-N 3.43Å; A126-R128 VanDerWaalsContact C-N 3.29Å; A126-R128 PolarHBondContact O-N 3.39Å; A126-N129 PolarHBondContact O-N 3.05Å; A126-N129 VanDerWaalsContact O-N 3.12Å; A126-E130 PolarHBondContact O-N 3.06Å |
| 127 | S | 92.6 | Very high | 87.5 | Confident | 67 Ų | 67 | 116.7 Ų | 116.7 | 47% | 0.469 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.3 | -34.8 | -179.4 | 67 | 0 | 0 | 0 | 0 | 113.2 | D123 Q124 N129 S131 | D123-S127 PolarHBondContact O-N 2.81Å; D123-S127 PolarHBondContact O-OG 3.29Å; Q124-S127 PolarHBondContact O-OG 2.93Å; S127-N129 VanDerWaalsContact C-N 3.34Å; S127-S131 PolarHBondContact O-N 3.34Å; S127-S131 PolarHBondContact O-OG 3.36Å |
| 128 | R | 90 | Very high | 86.8 | Confident | 191 Ų | 191 | 119.2 Ų | 119.2 | 72% | 0.721 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.3 | -34.7 | 176.3 | -174.1 | 177.1 | 176.8 | -174.4 | -0.9 | 112.9 | Q124 A126 S131 T132 | Q124-R128 WeakPolarHBondContact O-CB 3.27Å; Q124-R128 PolarHBondContact O-N 2.86Å; Q124-R128 VanDerWaalsContact O-N 3.15Å; A126-R128 VanDerWaalsContact C-N 3.29Å; A126-R128 PolarHBondContact O-N 3.39Å; R128-S131 PolarHBondContact O-OG 3.13Å; R128-T132 PolarHBondContact O-OG1 3.38Å; R128-T132 VanDerWaalsContact O-OG1 3.11Å |
| 129 | N | 80.3 | Confident | 86 | Confident | 99 Ų | 99 | 122.8 Ų | 122.8 | 53% | 0.529 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -77.3 | -32.4 | -179.4 | -68.5 | -11.4 | 0 | 0 | 0 | 112.1 | K125 A126 S127 | K125-N129 PolarHBondContact O-N 3.13Å; A126-N129 PolarHBondContact O-N 3.05Å; A126-N129 VanDerWaalsContact O-N 3.12Å; S127-N129 VanDerWaalsContact C-N 3.34Å |
| 130 | E | 75.8 | Confident | 85.2 | Confident | 158 Ų | 158 | 121.9 Ų | 121.9 | 74% | 0.738 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.3 | -31.1 | 175.5 | -71.3 | -168.5 | 166.3 | 0 | 0 | 113.1 | A126 T132 | A126-E130 PolarHBondContact O-N 3.06Å; E130-T132 PolarHBondContact O-N 3.19Å |
| 131 | S | 65.9 | Low | 84.2 | Confident | 95 Ų | 95 | 124.5 Ų | 124.5 | 66% | 0.664 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 4 | -178.5 | 34.7 | 0 | 0 | 0 | 0 | 114.6 | S127 R128 | S127-S131 PolarHBondContact O-N 3.34Å; S127-S131 PolarHBondContact O-OG 3.36Å; R128-S131 PolarHBondContact O-OG 3.13Å |
| 132 | T | 60.8 | Low | 83 | Confident | 113 Ų | 113 | 123 Ų | 123 | 69% | 0.693 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 8.3 | 177.7 | -45.8 | 0 | 0 | 0 | 0 | 112.7 | R128 E130 | R128-T132 PolarHBondContact O-OG1 3.38Å; R128-T132 VanDerWaalsContact O-OG1 3.11Å; E130-T132 PolarHBondContact O-N 3.19Å |
| 133 | F | 49.5 | Very low | 81.7 | Confident | 254 Ų | 254 | 121.9 Ų | 121.9 | 100% | 1.114 | 62% | 0.622 | S | S | * | * | trans | -116.5 | 0 | 175.2 | -78.4 | -81.3 | 0 | 0 | 0 | 112.5 |
Retrieved 133 of 133 residues in 619.1 ms
(Link to these results)