| 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 | 55.2 | Low | 65.8 | Low | 166 Ų | 166 | 105.9 Ų | 105.9 | 82% | 0.818 | 56% | 0.559 | S | S | * | * | 0 | -65.2 | 0 | -87.5 | -99 | 75.5 | 0 | 0 | 111.3 | I3 I4 I5 | M1-I3 PolarHBondContact O-N 3.45Å; M1-I4 PolarHBondContact O-N 2.94Å; M1-I5 HydrophobicContact CE-CD1 4.5Å; M1-I5 HydrophobicContact CE-CG1 4.46Å; M1-I5 WeakPolarHBondContact O-CG1 3.32Å; M1-I5 PolarHBondContact O-N 3.23Å | |||
| 2 | Y | 67.8 | Low | 64.1 | Low | 190 Ų | 190 | 107.5 Ų | 107.5 | 75% | 0.745 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -56.6 | -43 | -178.2 | -129.2 | -90.4 | 0 | 0 | 0 | 114.7 | I4 I5 L6 | Y2-I4 VanDerWaalsContact C-N 3.32Å; Y2-I4 PolarHBondContact O-N 3.41Å; Y2-I5 PolarHBondContact O-N 3.46Å; Y2-L6 HydrophobicContact CD1-CD1 4.37Å; Y2-L6 PolarHBondContact O-N 3.41Å |
| 3 | I | 76.1 | Confident | 61.9 | Low | 125 Ų | 125 | 109.3 Ų | 109.3 | 64% | 0.641 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.9 | -33.9 | 177.7 | -62 | 173.4 | 0 | 0 | 0 | 111.9 | M1 L6 I7 | M1-I3 PolarHBondContact O-N 3.45Å; I3-L6 PolarHBondContact O-N 2.83Å; I3-I7 HydrophobicContact CG2-CD1 4.06Å; I3-I7 VanDerWaalsContact O-CG1 3.32Å; I3-I7 WeakPolarHBondContact O-CG1 3.47Å; I3-I7 PolarHBondContact O-N 2.82Å |
| 4 | I | 73.5 | Confident | 59.8 | Low | 71 Ų | 71 | 112.9 Ų | 112.9 | 36% | 0.364 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -73.5 | -37.3 | 178.8 | -62.1 | 173.5 | 0 | 0 | 0 | 110.2 | M1 Y2 L6 I7 I8 | M1-I4 PolarHBondContact O-N 2.94Å; Y2-I4 VanDerWaalsContact C-N 3.32Å; Y2-I4 PolarHBondContact O-N 3.41Å; I4-L6 VanDerWaalsContact C-N 3.31Å; I4-L6 PolarHBondContact O-N 3.09Å; I4-I7 PolarHBondContact O-N 3.37Å; I4-I8 HydrophobicContact CG2-CD1 3.92Å; I4-I8 WeakPolarHBondContact O-CG1 3.49Å; I4-I8 PolarHBondContact O-N 3.39Å |
| 5 | I | 77.5 | Confident | 58.6 | Low | 99 Ų | 99 | 112.8 Ų | 112.8 | 51% | 0.508 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61.5 | -42.4 | 172.2 | -66.2 | 167.5 | 0 | 0 | 0 | 110.1 | M1 Y2 I7 I8 S9 | M1-I5 HydrophobicContact CE-CD1 4.5Å; M1-I5 HydrophobicContact CE-CG1 4.46Å; M1-I5 WeakPolarHBondContact O-CG1 3.32Å; M1-I5 PolarHBondContact O-N 3.23Å; Y2-I5 PolarHBondContact O-N 3.46Å; I5-I7 PolarHBondContact O-N 2.97Å; I5-I8 PolarHBondContact O-N 2.86Å; I5-S9 WeakPolarHBondContact O-CB 3.49Å; I5-S9 PolarHBondContact O-N 3.44Å; I5-S9 PolarHBondContact O-OG 2.92Å; I5-S9 VanDerWaalsContact O-OG 3.07Å |
| 6 | L | 73.5 | Confident | 56.8 | Low | 99 Ų | 99 | 116.6 Ų | 116.6 | 52% | 0.518 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -62.7 | -39.4 | 176.8 | -81.9 | 161.4 | 0 | 0 | 0 | 113.1 | Y2 I3 I4 S9 S10 | Y2-L6 HydrophobicContact CD1-CD1 4.37Å; Y2-L6 PolarHBondContact O-N 3.41Å; I3-L6 PolarHBondContact O-N 2.83Å; I4-L6 VanDerWaalsContact C-N 3.31Å; I4-L6 PolarHBondContact O-N 3.09Å; L6-S9 WeakPolarHBondContact CA-OG 3.22Å; L6-S9 PolarHBondContact O-OG 3.21Å; L6-S10 WeakPolarHBondContact O-CB 3.5Å; L6-S10 PolarHBondContact O-N 2.88Å; L6-S10 PolarHBondContact O-OG 3Å |
| 7 | I | 67.7 | Low | 55.6 | Low | 95 Ų | 95 | 116.4 Ų | 116.4 | 49% | 0.487 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -70.7 | -43.1 | 178.6 | -66.1 | 166.3 | 0 | 0 | 0 | 110.8 | I3 I4 I5 S9 S10 S11 | I3-I7 HydrophobicContact CG2-CD1 4.06Å; I3-I7 VanDerWaalsContact O-CG1 3.32Å; I3-I7 WeakPolarHBondContact O-CG1 3.47Å; I3-I7 PolarHBondContact O-N 2.82Å; I4-I7 PolarHBondContact O-N 3.37Å; I5-I7 PolarHBondContact O-N 2.97Å; I7-S9 VanDerWaalsContact C-N 3.31Å; I7-S9 PolarHBondContact O-N 3.41Å; I7-S10 WeakPolarHBondContact CA-OG 3.3Å; I7-S10 PolarHBondContact O-N 3.5Å; I7-S10 VanDerWaalsContact O-N 3.16Å; I7-S10 PolarHBondContact O-OG 3.42Å; I7-S10 VanDerWaalsContact O-OG 3.13Å; I7-S11 PolarHBondContact O-N 3.3Å; I7-S11 PolarHBondContact O-OG 2.83Å |
| 8 | I | 66.9 | Low | 54.4 | Low | 93 Ų | 93 | 121.3 Ų | 121.3 | 48% | 0.477 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -65.1 | -36.7 | 176.6 | -63.6 | 169.1 | 0 | 0 | 0 | 110.8 | I4 I5 S10 I12 | I4-I8 HydrophobicContact CG2-CD1 3.92Å; I4-I8 WeakPolarHBondContact O-CG1 3.49Å; I4-I8 PolarHBondContact O-N 3.39Å; I5-I8 PolarHBondContact O-N 2.86Å; I8-S10 VanDerWaalsContact C-N 3.33Å; I8-S10 PolarHBondContact O-N 3.26Å; I8-I12 HydrophobicContact CG2-CD1 4.48Å |
| 9 | S | 61.8 | Low | 53.3 | Low | 69 Ų | 69 | 120.8 Ų | 120.8 | 48% | 0.483 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -71 | -25.5 | 175.1 | 60.1 | 0 | 0 | 0 | 0 | 113.9 | I5 L6 I7 | I5-S9 WeakPolarHBondContact O-CB 3.49Å; I5-S9 PolarHBondContact O-N 3.44Å; I5-S9 PolarHBondContact O-OG 2.92Å; I5-S9 VanDerWaalsContact O-OG 3.07Å; L6-S9 WeakPolarHBondContact CA-OG 3.22Å; L6-S9 PolarHBondContact O-OG 3.21Å; I7-S9 VanDerWaalsContact C-N 3.31Å; I7-S9 PolarHBondContact O-N 3.41Å |
| 10 | S | 55 | Low | 52.4 | Low | 61 Ų | 61 | 119.9 Ų | 119.9 | 43% | 0.427 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -93.3 | -27.2 | -176.8 | 47.1 | 0 | 0 | 0 | 0 | 113.8 | L6 I7 I8 | L6-S10 WeakPolarHBondContact O-CB 3.5Å; L6-S10 PolarHBondContact O-N 2.88Å; L6-S10 PolarHBondContact O-OG 3Å; I7-S10 WeakPolarHBondContact CA-OG 3.3Å; I7-S10 PolarHBondContact O-N 3.5Å; I7-S10 VanDerWaalsContact O-N 3.16Å; I7-S10 PolarHBondContact O-OG 3.42Å; I7-S10 VanDerWaalsContact O-OG 3.13Å; I8-S10 VanDerWaalsContact C-N 3.33Å; I8-S10 PolarHBondContact O-N 3.26Å |
| 11 | S | 48.9 | Very low | 51.5 | Low | 97 Ų | 97 | 117.9 Ų | 117.9 | 68% | 0.678 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -81.6 | -13.7 | 178.9 | -58 | 0 | 0 | 0 | 0 | 114.9 | I7 | I7-S11 PolarHBondContact O-N 3.3Å; I7-S11 PolarHBondContact O-OG 2.83Å |
| 12 | I | 44.7 | Very low | 50.7 | Low | 125 Ų | 125 | 118.6 Ų | 118.6 | 64% | 0.641 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -93.1 | -10.3 | 175.7 | -60.2 | 175.4 | 0 | 0 | 0 | 111.5 | I8 | I8-I12 HydrophobicContact CG2-CD1 4.48Š|
| 13 | L | 36.4 | Very low | 49.3 | Very low | 131 Ų | 131 | 114.8 Ų | 114.8 | 69% | 0.686 | 62% | 0.618 | S | S | * | * | trans | -126.6 | 90.8 | 177.9 | -97.4 | 89.9 | 0 | 0 | 0 | 112.3 | ||||
| 14 | L | 32.3 | Very low | 47.5 | Very low | 159 Ų | 159 | 111.8 Ų | 111.8 | 83% | 0.832 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -157.2 | 139.2 | 142.6 | -93 | 126.2 | 0 | 0 | 0 | 108.8 | ||
| 15 | P | 41.1 | Very low | 45.8 | Very low | 112 Ų | 112 | 111.7 Ų | 111.7 | 73% | 0.727 | 61% | 0.609 | S | S | * | * | cis | -125.5 | 92.2 | -14.7 | 34.5 | -14 | 0 | 0 | 0 | 110 | T17 | P15-T17 PolarHBondContact O-N 2.91Š| ||
| 16 | M | 30.8 | Very low | 43.6 | Very low | 174 Ų | 174 | 113 Ų | 113 | 86% | 0.857 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -70.7 | 98.8 | 148 | -75.6 | -67.8 | -177.8 | 0 | 0 | 104.9 | K18 | M16-K18 PolarHBondContact O-N 3.49Š|
| 17 | T | 36.6 | Very low | 41.6 | Very low | 113 Ų | 113 | 111.3 Ų | 111.3 | 69% | 0.693 | 61% | 0.609 | S | S | * | * | trans | 2.6 | 110.6 | 158.1 | 47.1 | 0 | 0 | 0 | 0 | 112.8 | P15 C19 | P15-T17 PolarHBondContact O-N 2.91Å; T17-C19 VanDerWaalsContact C-N 3.34Å; T17-C19 PolarHBondContact O-N 3.24Å | ||
| 18 | K | 32.9 | Very low | 39.7 | Very low | 205 Ų | 205 | 112.9 Ų | 112.9 | 89% | 0.891 | 62% | 0.618 | S | S | * | * | trans | -16.6 | 92 | 168.2 | -74.5 | 176.9 | 174.2 | 177.3 | 0 | 111 | M16 I20 | M16-K18 PolarHBondContact O-N 3.49Å; K18-I20 PolarHBondContact O-N 3.36Å | ||
| 19 | C | 33.7 | Very low | 37.9 | Very low | 112 Ų | 112 | 113.6 Ų | 113.6 | 76% | 0.757 | 62% | 0.623 | S | S | * | * | trans | -66.7 | 99.6 | 166.5 | -70.9 | 0 | 0 | 0 | 0 | 103.9 | T17 P21 | T17-C19 VanDerWaalsContact C-N 3.34Å; T17-C19 PolarHBondContact O-N 3.24Å; C19-P21 VanDerWaalsContact O-N 3.1Å | ||
| 20 | I | 34.8 | Very low | 36.4 | Very low | 102 Ų | 102 | 119.5 Ų | 119.5 | 52% | 0.523 | 64% | 0.64 | S | S | . | * | trans | -48.9 | 121.5 | 165.9 | -62.9 | 168.3 | 0 | 0 | 0 | 104.4 | K18 Y22 V24 V25 | K18-I20 PolarHBondContact O-N 3.36Å; I20-Y22 PolarHBondContact O-N 2.93Å; I20-V24 HydrophobicContact CG2-CB 3.72Å; I20-V24 HydrophobicContact CG2-CG1 3.7Å; I20-V25 HydrophobicContact CB-CG2 3.73Å; I20-V25 HydrophobicContact CG2-CG2 3.55Å | ||
| 21 | P | 34.1 | Very low | 35.1 | Very low | 77 Ų | 77 | 122.2 Ų | 122.2 | 50% | 0.5 | 64% | 0.644 | S | S | . | * | trans | -58.2 | 136.1 | -173.7 | 26.1 | -34.3 | 0 | 0 | 0 | 107.7 | C19 N23 V24 V25 | C19-P21 VanDerWaalsContact O-N 3.1Å; P21-N23 VanDerWaalsContact C-OD1 3.25Å; P21-N23 VanDerWaalsContact CB-OD1 3.23Å; P21-N23 WeakPolarHBondContact CB-OD1 3.23Å; P21-N23 PolarHBondContact O-N 3.29Å; P21-N23 PolarHBondContact O-OD1 2.87Å; P21-V24 HydrophobicContact CG-CB 4.27Å; P21-V24 HydrophobicContact CG-CG2 3.85Å; P21-V24 PolarHBondContact O-N 3.45Å; P21-V25 PolarHBondContact O-N 3.28Å | ||
| 22 | Y | 39.2 | Very low | 34 | Very low | 182 Ų | 182 | 123.8 Ų | 123.8 | 71% | 0.714 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -49.4 | -30.2 | -167.1 | 179 | -99.2 | 0 | 0 | 0 | 113.9 | I20 Q26 | I20-Y22 PolarHBondContact O-N 2.93Å; Y22-Q26 PolarHBondContact O-N 2.91Å |
| 23 | N | 38.2 | Very low | 33.3 | Very low | 109 Ų | 109 | 124.4 Ų | 124.4 | 58% | 0.583 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.6 | -32.2 | 174 | 54.3 | -11.8 | 0 | 0 | 0 | 114.7 | P21 S27 | P21-N23 VanDerWaalsContact C-OD1 3.25Å; P21-N23 VanDerWaalsContact CB-OD1 3.23Å; P21-N23 WeakPolarHBondContact CB-OD1 3.23Å; P21-N23 PolarHBondContact O-N 3.29Å; P21-N23 PolarHBondContact O-OD1 2.87Å; N23-S27 PolarHBondContact O-N 3.42Å |
| 24 | V | 36.9 | Very low | 33.2 | Very low | 63 Ų | 63 | 120.9 Ų | 120.9 | 38% | 0.382 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -80.8 | -28.9 | 176.4 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | I20 P21 Q26 S27 | I20-V24 HydrophobicContact CG2-CB 3.72Å; I20-V24 HydrophobicContact CG2-CG1 3.7Å; P21-V24 HydrophobicContact CG-CB 4.27Å; P21-V24 HydrophobicContact CG-CG2 3.85Å; P21-V24 PolarHBondContact O-N 3.45Å; V24-Q26 VanDerWaalsContact C-N 3.3Å; V24-S27 PolarHBondContact O-N 3.42Å; V24-S27 PolarHBondContact O-OG 2.98Å |
| 25 | V | 38.9 | Very low | 33.4 | Very low | 69 Ų | 69 | 118.7 Ų | 118.7 | 42% | 0.418 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.2 | -36.1 | 169.3 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | I20 P21 | I20-V25 HydrophobicContact CB-CG2 3.73Å; I20-V25 HydrophobicContact CG2-CG2 3.55Å; P21-V25 PolarHBondContact O-N 3.28Å |
| 26 | Q | 31.9 | Very low | 33.6 | Very low | 125 Ų | 125 | 113.9 Ų | 113.9 | 58% | 0.584 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -73.1 | -27.7 | 175.5 | -82.1 | -166.4 | -28.7 | 0 | 0 | 114.5 | Y22 V24 | Y22-Q26 PolarHBondContact O-N 2.91Å; V24-Q26 VanDerWaalsContact C-N 3.3Å |
| 27 | S | 30.6 | Very low | 34.5 | Very low | 65 Ų | 65 | 110.9 Ų | 110.9 | 46% | 0.455 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -79.7 | -30.7 | -176.7 | 72.2 | 0 | 0 | 0 | 0 | 113.6 | N23 V24 | N23-S27 PolarHBondContact O-N 3.42Å; V24-S27 PolarHBondContact O-N 3.42Å; V24-S27 PolarHBondContact O-OG 2.98Å |
| 28 | N | 28.3 | Very low | 35.1 | Very low | 127 Ų | 127 | 114.2 Ų | 114.2 | 68% | 0.679 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -105.2 | -13.5 | -169.1 | -72.2 | -3.3 | 0 | 0 | 0 | 114.8 | ||
| 29 | L | 29.4 | Very low | 36 | Very low | 108 Ų | 108 | 106.4 Ų | 106.4 | 57% | 0.565 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -106 | 103.4 | 161.3 | -81.6 | 120.9 | 0 | 0 | 0 | 106.8 | K31 | L29-K31 PolarHBondContact O-N 3.5Š|
| 30 | F | 28.8 | Very low | 37 | Very low | 194 Ų | 194 | 104.4 Ų | 104.4 | 85% | 0.851 | 54% | 0.535 | S | S | * | . | trans | -60.3 | 58.8 | 165.7 | -85.7 | -93.8 | 0 | 0 | 0 | 111.4 | ||||
| 31 | K | 27.8 | Very low | 38 | Very low | 118 Ų | 118 | 106.5 Ų | 106.5 | 51% | 0.513 | 54% | 0.54 | S | S | . | . | trans | -99.4 | 83.7 | 160 | -75.6 | -166.3 | 174.7 | -156 | 0 | 105.9 | L29 H33 E153 | L29-K31 PolarHBondContact O-N 3.5Å; K31-H33 PolarHBondContact O-N 2.92Å; K31-E153 IonicContact NZ-OE1 3.55Å | ||
| 32 | Q | 26.4 | Very low | 38.9 | Very low | 129 Ų | 129 | 109.1 Ų | 109.1 | 60% | 0.603 | 55% | 0.55 | S | S | * | . | trans | -59.2 | 95.4 | 158.3 | -78.2 | 170.9 | -38.2 | 0 | 0 | 106.6 | Y34 | Q32-Y34 VanDerWaalsContact C-N 3.3Å; Q32-Y34 HydrophobicContact CB-CD2 4.33Å; Q32-Y34 HydrophobicContact CB-CE2 3.78Å; Q32-Y34 VanDerWaalsContact O-CD2 3.26Å; Q32-Y34 WeakPolarHBondContact O-CD2 3.28Å; Q32-Y34 PolarHBondContact O-N 3.2Å; Q32-Y34 PolarHBondContact OE1-OH 2.97Å | ||
| 33 | H | 30.3 | Very low | 40.6 | Very low | 139 Ų | 139 | 103.7 Ų | 103.7 | 64% | 0.644 | 53% | 0.533 | S | S | * | . | trans | -66.9 | 95.6 | 166.8 | -80.6 | -28.3 | 0 | 0 | 0 | 107.1 | K31 S35 | K31-H33 PolarHBondContact O-N 2.92Å; H33-S35 PolarHBondContact O-N 3.23Å; H33-S35 VanDerWaalsContact O-N 3.12Å | ||
| 34 | Y | 35.3 | Very low | 42.5 | Very low | 57 Ų | 57 | 99.1 Ų | 99.1 | 22% | 0.224 | 51% | 0.508 | C | S | . | . | trans | -70.6 | 99.8 | 164.7 | -61.6 | -77.8 | 0 | 0 | 0 | 106.7 | Q32 C36 S140 N141 T152 | Q32-Y34 VanDerWaalsContact C-N 3.3Å; Q32-Y34 HydrophobicContact CB-CD2 4.33Å; Q32-Y34 HydrophobicContact CB-CE2 3.78Å; Q32-Y34 VanDerWaalsContact O-CD2 3.26Å; Q32-Y34 WeakPolarHBondContact O-CD2 3.28Å; Q32-Y34 PolarHBondContact O-N 3.2Å; Q32-Y34 PolarHBondContact OE1-OH 2.97Å; Y34-C36 PolarHBondContact O-N 3.41Å; Y34-S140 WeakPolarHBondContact CD1-O 3.37Å; Y34-N141 VanDerWaalsContact CE1-C 3.4Å; Y34-T152 VanDerWaalsContact O-CG2 3.28Å; Y34-T152 WeakPolarHBondContact O-CG2 3.26Å | ||
| 35 | S | 36.5 | Very low | 44.5 | Very low | 112 Ų | 112 | 100 Ų | 100 | 78% | 0.783 | 51% | 0.509 | S | S | * | . | trans | -74.7 | 107.9 | 176.3 | 52.9 | 0 | 0 | 0 | 0 | 109.3 | H33 | H33-S35 PolarHBondContact O-N 3.23Å; H33-S35 VanDerWaalsContact O-N 3.12Å | ||
| 36 | C | 44.4 | Very low | 46.6 | Very low | 12 Ų | 12 | 100.8 Ų | 100.8 | 8% | 0.081 | 51% | 0.507 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 153.6 | 156.1 | -59.4 | 0 | 0 | 0 | 0 | 108.6 | Y34 E38 C150 L151 T152 E181 | Y34-C36 PolarHBondContact O-N 3.41Å; C36-E38 PolarHBondContact O-N 3Å; C36-E38 VanDerWaalsContact O-N 3.12Å; C36-C150 HydrophobicContact CB-CB 3.61Å; C36-C150 WeakPolarHBondContact CB-SG 3.42Å; C36-C150 WeakPolarHBondContact SG-CB 3.48Å; C36-C150 CovalentContact SG-SG 2.02Å; C36-C150 PolarHBondContact SG-SG 3.22Å; C36-L151 PolarHBondContact SG-N 3.14Å; C36-T152 HydrophobicContact CB-CG2 3.48Å; C36-T152 VanDerWaalsContact CB-CG2 3.48Å; C36-T152 WeakPolarHBondContact SG-CG2 3.36Å; C36-E181 WeakPolarHBondContact CB-OE2 2.98Å |
| 37 | I | 50.4 | Low | 49.1 | Very low | 111 Ų | 111 | 95.2 Ų | 95.2 | 57% | 0.569 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 116.1 | -173.9 | -62.6 | 167.9 | 0 | 0 | 0 | 109.4 | L39 | I37-L39 PolarHBondContact O-N 3.36Å; I37-L39 VanDerWaalsContact O-N 3.16Å |
| 38 | E | 47.9 | Very low | 51.6 | Low | 182 Ų | 182 | 92.2 Ų | 92.2 | 85% | 0.85 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 117.9 | 173.5 | -110.9 | 178.3 | 172.4 | 0 | 0 | 110.5 | C36 S40 | C36-E38 PolarHBondContact O-N 3Å; C36-E38 VanDerWaalsContact O-N 3.12Å; E38-S40 PolarHBondContact O-N 3.41Å |
| 39 | L | 52.6 | Low | 54.1 | Low | 42 Ų | 42 | 92.8 Ų | 92.8 | 22% | 0.22 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -70 | 120.4 | 175.4 | -91.8 | 139.4 | 0 | 0 | 0 | 111.4 | I37 N43 L47 E181 I183 | I37-L39 PolarHBondContact O-N 3.36Å; I37-L39 VanDerWaalsContact O-N 3.16Å; L39-N43 HydrophobicContact CD2-CB 3.91Å; L39-N43 VanDerWaalsContact CD2-ND2 3.33Å; L39-N43 WeakPolarHBondContact CD2-ND2 3.42Å; L39-L47 HydrophobicContact CD1-CD1 4.35Å; L39-L47 HydrophobicContact CD2-CD1 3.48Å; L39-L47 VanDerWaalsContact CD2-CD1 3.48Å; L39-L47 HydrophobicContact CD2-CG 4.39Å; L39-E181 HydrophobicContact CD1-CG 3.63Å; L39-I183 HydrophobicContact CD1-CD1 3.88Å; L39-I183 HydrophobicContact CD1-CG1 4.29Å |
| 40 | S | 54 | Low | 56.8 | Low | 70 Ų | 70 | 92 Ų | 92 | 49% | 0.49 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -67 | 149.5 | 171 | 79.1 | 0 | 0 | 0 | 0 | 111.5 | E38 N42 N43 | E38-S40 PolarHBondContact O-N 3.41Å; S40-N42 PolarHBondContact O-N 2.94Å; S40-N42 VanDerWaalsContact O-N 3.1Å; S40-N43 WeakPolarHBondContact O-CB 3.47Å; S40-N43 PolarHBondContact O-N 2.95Å |
| 41 | K | 55.6 | Low | 59.6 | Low | 146 Ų | 146 | 82.9 Ų | 82.9 | 64% | 0.635 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -31.5 | 179.5 | -72.4 | -178.7 | -179.9 | 178 | 0 | 114 | K192 | K41-K192 PolarHBondContact O-NZ 2.69Š|
| 42 | N | 53.6 | Low | 62.5 | Low | 132 Ų | 132 | 78.9 Ų | 78.9 | 71% | 0.706 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -26.6 | 179.1 | -68.5 | -2.5 | 0 | 0 | 0 | 112 | S40 | S40-N42 PolarHBondContact O-N 2.94Å; S40-N42 VanDerWaalsContact O-N 3.1Å |
| 43 | N | 74.8 | Confident | 65.5 | Low | 67 Ų | 67 | 72.8 Ų | 72.8 | 36% | 0.358 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -78.1 | -22.4 | -175.4 | -157.6 | 24.5 | 0 | 0 | 0 | 112.7 | L39 S40 E45 H46 L47 | L39-N43 HydrophobicContact CD2-CB 3.91Å; L39-N43 VanDerWaalsContact CD2-ND2 3.33Å; L39-N43 WeakPolarHBondContact CD2-ND2 3.42Å; S40-N43 WeakPolarHBondContact O-CB 3.47Å; S40-N43 PolarHBondContact O-N 2.95Å; N43-E45 VanDerWaalsContact C-N 3.32Å; N43-E45 PolarHBondContact O-N 2.95Å; N43-H46 PolarHBondContact O-N 3.41Å; N43-L47 WeakPolarHBondContact O-CG 3.42Å; N43-L47 PolarHBondContact O-N 2.99Å |
| 44 | I | 78.5 | Confident | 68.3 | Low | 13 Ų | 13 | 66.1 Ų | 66.1 | 7% | 0.067 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.6 | -40 | 176.2 | -64.1 | 174.2 | 0 | 0 | 0 | 111.5 | H46 L47 I48 F163 K192 | I44-H46 VanDerWaalsContact C-N 3.32Å; I44-H46 PolarHBondContact O-N 3.17Å; I44-L47 PolarHBondContact O-N 3.38Å; I44-I48 HydrophobicContact CG2-CD1 3.79Å; I44-I48 HydrophobicContact CG2-CG1 4.35Å; I44-I48 VanDerWaalsContact O-CB 3.3Å; I44-I48 WeakPolarHBondContact O-CB 3.4Å; I44-I48 VanDerWaalsContact O-CG1 3.23Å; I44-I48 WeakPolarHBondContact O-CG1 3.4Å; I44-I48 PolarHBondContact O-N 2.99Å; I44-F163 HydrophobicContact CG2-CZ 4.41Å; I44-K192 HydrophobicContact CG2-CD 4.24Å |
| 45 | E | 79.6 | Confident | 71 | Confident | 83 Ų | 83 | 63.4 Ų | 63.4 | 39% | 0.388 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | -179 | -65.8 | 176.2 | -161.9 | 0 | 0 | 111.8 | N43 I48 Q49 K192 L196 | N43-E45 VanDerWaalsContact C-N 3.32Å; N43-E45 PolarHBondContact O-N 2.95Å; E45-I48 WeakPolarHBondContact O-CB 3.47Å; E45-Q49 WeakPolarHBondContact O-CG 3.5Å; E45-Q49 PolarHBondContact O-N 2.83Å; E45-Q49 VanDerWaalsContact O-N 3.13Å; E45-K192 VanDerWaalsContact OE1-CE 3.24Å; E45-K192 WeakPolarHBondContact OE1-CE 3.21Å; E45-K192 IonicContact OE1-NZ 3.31Å; E45-K192 PolarHBondContact OE1-NZ 2.81Å; E45-L196 HydrophobicContact CB-CD1 4.5Å; E45-L196 HydrophobicContact CG-CD1 3.77Å |
| 46 | H | 82.1 | Confident | 73.5 | Confident | 85 Ų | 85 | 58.1 Ų | 58.1 | 39% | 0.394 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.5 | -43.4 | 175.1 | -179.5 | -99.3 | 0 | 0 | 0 | 112.1 | N43 I44 I48 Q49 Q50 | N43-H46 PolarHBondContact O-N 3.41Å; I44-H46 VanDerWaalsContact C-N 3.32Å; I44-H46 PolarHBondContact O-N 3.17Å; H46-I48 VanDerWaalsContact C-N 3.31Å; H46-I48 PolarHBondContact O-N 3.3Å; H46-Q49 PolarHBondContact O-N 3.21Å; H46-Q50 PolarHBondContact CE1-NE2 2.87Å; H46-Q50 PolarHBondContact CE1-OE1 2.89Å; H46-Q50 VanDerWaalsContact CE1-OE1 3.23Å; H46-Q50 PolarHBondContact NE2-NE2 2.86Å; H46-Q50 WeakPolarHBondContact O-CG 3.2Å; H46-Q50 PolarHBondContact O-N 3.2Å; H46-Q50 VanDerWaalsContact O-N 3.08Å |
| 47 | L | 83.3 | Confident | 75.7 | Confident | 7 Ų | 7 | 57.5 Ų | 57.5 | 4% | 0.037 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.3 | -44 | 174.2 | -73.6 | 177.1 | 0 | 0 | 0 | 112.2 | L39 N43 I44 Q50 S51 F163 L179 | L39-L47 HydrophobicContact CD1-CD1 4.35Å; L39-L47 HydrophobicContact CD2-CD1 3.48Å; L39-L47 VanDerWaalsContact CD2-CD1 3.48Å; L39-L47 HydrophobicContact CD2-CG 4.39Å; N43-L47 WeakPolarHBondContact O-CG 3.42Å; N43-L47 PolarHBondContact O-N 2.99Å; I44-L47 PolarHBondContact O-N 3.38Å; L47-Q50 PolarHBondContact O-N 3.22Å; L47-S51 WeakPolarHBondContact O-CB 3.3Å; L47-S51 PolarHBondContact O-N 3Å; L47-S51 PolarHBondContact O-OG 3.14Å; L47-F163 HydrophobicContact CB-CB 4.39Å; L47-F163 HydrophobicContact CB-CD1 4.01Å; L47-F163 HydrophobicContact CB-CE1 4.47Å; L47-F163 HydrophobicContact CB-CG 4.05Å; L47-F163 HydrophobicContact CD1-CD2 4.07Å; L47-F163 HydrophobicContact CD1-CE2 4.45Å; L47-F163 HydrophobicContact CD1-CG 4.31Å; L47-L179 HydrophobicContact CD2-CB 3.87Å |
| 48 | I | 83.1 | Confident | 77.4 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -50.6 | -59.8 | 174.1 | -83.6 | 173.4 | 0 | 0 | 0 | 108.5 | I44 E45 H46 Q50 S51 I54 F163 I193 L196 Y197 | I44-I48 HydrophobicContact CG2-CD1 3.79Å; I44-I48 HydrophobicContact CG2-CG1 4.35Å; I44-I48 VanDerWaalsContact O-CB 3.3Å; I44-I48 WeakPolarHBondContact O-CB 3.4Å; I44-I48 VanDerWaalsContact O-CG1 3.23Å; I44-I48 WeakPolarHBondContact O-CG1 3.4Å; I44-I48 PolarHBondContact O-N 2.99Å; E45-I48 WeakPolarHBondContact O-CB 3.47Å; H46-I48 VanDerWaalsContact C-N 3.31Å; H46-I48 PolarHBondContact O-N 3.3Å; I48-Q50 VanDerWaalsContact C-N 3.32Å; I48-Q50 PolarHBondContact O-N 3.3Å; I48-S51 PolarHBondContact O-N 3.39Å; I48-I54 HydrophobicContact CG1-CD1 4.24Å; I48-F163 HydrophobicContact CG1-CD1 4.46Å; I48-F163 HydrophobicContact CG1-CE1 3.66Å; I48-F163 HydrophobicContact CG1-CZ 4.44Å; I48-I193 HydrophobicContact CD1-CG1 4.08Å; I48-I193 HydrophobicContact CG1-CG1 4.49Å; I48-L196 HydrophobicContact CD1-CB 4.37Å; I48-L196 HydrophobicContact CD1-CD1 3.5Å; I48-L196 HydrophobicContact CG2-CB 4Å; I48-L196 HydrophobicContact CG2-CD1 4.29Å; I48-Y197 HydrophobicContact CB-CD2 4.39Å; I48-Y197 HydrophobicContact CB-CE2 3.74Å; I48-Y197 HydrophobicContact CG1-CE2 4.32Å; I48-Y197 HydrophobicContact CG2-CD2 3.48Å; I48-Y197 VanDerWaalsContact CG2-CD2 3.48Å; I48-Y197 HydrophobicContact CG2-CE2 2.96Å; I48-Y197 HydrophobicContact CG2-CG 4.47Å; I48-Y197 VanDerWaalsContact O-CE2 3.26Å; I48-Y197 WeakPolarHBondContact O-CE2 3.39Å; I48-Y197 PolarHBondContact O-OH 2.91Å |
| 49 | Q | 82.1 | Confident | 78.8 | Confident | 139 Ų | 139 | 49.8 Ų | 49.8 | 65% | 0.65 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -52.9 | -43.7 | -179.8 | -73.4 | 179.4 | -0.7 | 0 | 0 | 113.9 | E45 H46 Y197 | E45-Q49 WeakPolarHBondContact O-CG 3.5Å; E45-Q49 PolarHBondContact O-N 2.83Å; E45-Q49 VanDerWaalsContact O-N 3.13Å; H46-Q49 PolarHBondContact O-N 3.21Å; Q49-Y197 WeakPolarHBondContact CA-OH 3.36Å; Q49-Y197 PolarHBondContact N-OH 3.12Å |
| 50 | Q | 85.5 | Confident | 79.6 | Confident | 93 Ų | 93 | 52.1 Ų | 52.1 | 44% | 0.435 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -81.2 | -16.8 | -175.5 | -67.1 | -170.6 | -23.4 | 0 | 0 | 115 | H46 L47 I48 L179 | H46-Q50 PolarHBondContact CE1-NE2 2.87Å; H46-Q50 PolarHBondContact CE1-OE1 2.89Å; H46-Q50 VanDerWaalsContact CE1-OE1 3.23Å; H46-Q50 PolarHBondContact NE2-NE2 2.86Å; H46-Q50 WeakPolarHBondContact O-CG 3.2Å; H46-Q50 PolarHBondContact O-N 3.2Å; H46-Q50 VanDerWaalsContact O-N 3.08Å; L47-Q50 PolarHBondContact O-N 3.22Å; I48-Q50 VanDerWaalsContact C-N 3.32Å; I48-Q50 PolarHBondContact O-N 3.3Å; Q50-L179 HydrophobicContact CB-CD1 4Å |
| 51 | S | 88.6 | Confident | 80 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | trans | -75.4 | 130.8 | -175.7 | -63.5 | 0 | 0 | 0 | 0 | 112.2 | L47 I48 I54 K122 F163 L164 L179 | L47-S51 WeakPolarHBondContact O-CB 3.3Å; L47-S51 PolarHBondContact O-N 3Å; L47-S51 PolarHBondContact O-OG 3.14Å; I48-S51 PolarHBondContact O-N 3.39Å; S51-I54 VanDerWaalsContact CB-CG1 3.48Å; S51-K122 WeakPolarHBondContact O-CD 3.3Å; S51-K122 WeakPolarHBondContact O-CE 3.29Å; S51-K122 PolarHBondContact O-NZ 2.73Å; S51-F163 WeakPolarHBondContact OG-CB 3.32Å; S51-L164 CarbonylContact C-O 3.58Å; S51-L164 WeakPolarHBondContact CA-O 3.08Å; S51-L179 WeakPolarHBondContact OG-CD1 3.33Å | ||
| 52 | D | 88.1 | Confident | 79.6 | Confident | 35 Ų | 35 | 52 Ų | 52 | 19% | 0.187 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -79.6 | -27.5 | 168 | -66 | -43.6 | 0 | 0 | 0 | 112.3 | N124 L164 K165 K166 | D52-N124 PolarHBondContact O-N 2.85Å; D52-N124 PolarHBondContact OD1-ND2 3.25Å; D52-L164 PolarHBondContact N-O 3.41Å; D52-K165 VanDerWaalsContact OD2-CG 3.28Å; D52-K165 WeakPolarHBondContact OD2-CG 3.22Å; D52-K166 HydrophobicContact CB-CB 4.33Å; D52-K166 PolarHBondContact OD2-N 3.33Å |
| 53 | L | 88.5 | Confident | 78.9 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 129.2 | -178.7 | 172.4 | 55.7 | 0 | 0 | 0 | 109.3 | I55 I120 K122 M123 M127 I132 L164 Y176 | L53-I55 HydrophobicContact CD1-CG2 3.36Å; L53-I55 HydrophobicContact CD2-CG2 4.22Å; L53-I55 HydrophobicContact CG-CG2 3.8Å; L53-I120 HydrophobicContact CD1-CG2 4.27Å; L53-K122 WeakPolarHBondContact CA-O 3.21Å; L53-K122 WeakPolarHBondContact CD1-O 3.35Å; L53-M123 HydrophobicContact CD1-CB 4.4Å; L53-M123 HydrophobicContact CD1-CE 3.24Å; L53-M123 HydrophobicContact CD1-SD 3.5Å; L53-M123 WeakPolarHBondContact CD1-SD 3.46Å; L53-M123 HydrophobicContact CD2-CE 4.18Å; L53-M123 HydrophobicContact CD2-SD 4.24Å; L53-M123 HydrophobicContact CG-CE 4.32Å; L53-M123 HydrophobicContact CG-SD 4.31Å; L53-M127 HydrophobicContact CD2-CE 4.46Å; L53-I132 HydrophobicContact CD2-CD1 4.1Å; L53-L164 HydrophobicContact CB-CB 4.05Å; L53-L164 HydrophobicContact CD2-CD1 4Å; L53-L164 HydrophobicContact CG-CB 4.41Å; L53-L164 HydrophobicContact CG-CD1 4.14Å; L53-L164 PolarHBondContact N-O 2.89Å; L53-L164 WeakPolarHBondContact O-CA 3.47Å; L53-L164 VanDerWaalsContact O-CB 3.3Å; L53-L164 WeakPolarHBondContact O-CB 3.35Å; L53-L164 PolarHBondContact O-N 3.24Å; L53-Y176 HydrophobicContact CB-CD1 4.02Å; L53-Y176 HydrophobicContact CB-CE1 3.71Å; L53-Y176 HydrophobicContact CD2-CD1 3.87Å; L53-Y176 HydrophobicContact CD2-CD2 4.21Å; L53-Y176 HydrophobicContact CD2-CE1 3.54Å; L53-Y176 HydrophobicContact CD2-CE2 4.01Å; L53-Y176 HydrophobicContact CD2-CG 4.2Å; L53-Y176 HydrophobicContact CG-CE1 4.27Å |
| 54 | I | 90.4 | Very high | 77.3 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 119.7 | 171.8 | -51.5 | 172.9 | 0 | 0 | 0 | 107.3 | I48 S51 Y121 K122 I161 F162 F163 I193 Y197 | I48-I54 HydrophobicContact CG1-CD1 4.24Å; S51-I54 VanDerWaalsContact CB-CG1 3.48Å; I54-Y121 HydrophobicContact CG2-CD2 3.9Å; I54-Y121 PolarHBondContact O-N 2.87Å; I54-K122 HydrophobicContact CB-CB 4.07Å; I54-K122 HydrophobicContact CD1-CB 4.05Å; I54-K122 HydrophobicContact CD1-CD 4.11Å; I54-K122 HydrophobicContact CG1-CB 3.98Å; I54-K122 HydrophobicContact CG1-CD 4.37Å; I54-K122 PolarHBondContact N-O 2.74Å; I54-K122 PolarHBondContact O-N 3.34Å; I54-I161 HydrophobicContact CG2-CG2 4.4Å; I54-F162 WeakPolarHBondContact CA-O 3.28Å; I54-F163 HydrophobicContact CD1-CD1 4.02Å; I54-F163 HydrophobicContact CD1-CE1 4.04Å; I54-F163 HydrophobicContact CG1-CD1 3.98Å; I54-F163 HydrophobicContact CG1-CE1 4.36Å; I54-F163 HydrophobicContact CG2-CD1 3.97Å; I54-F163 HydrophobicContact CG2-CE1 3.84Å; I54-I193 HydrophobicContact CG2-CD1 4.15Å; I54-I193 HydrophobicContact CG2-CG2 4.39Å; I54-Y197 HydrophobicContact CD1-CD2 3.81Å; I54-Y197 HydrophobicContact CD1-CE2 3.58Å |
| 55 | I | 90.6 | Very high | 75.4 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 155.3 | -178.7 | 61.2 | 159.4 | 0 | 0 | 0 | 111.4 | L53 V115 I117 T119 I120 I132 I161 F162 L164 | L53-I55 HydrophobicContact CD1-CG2 3.36Å; L53-I55 HydrophobicContact CD2-CG2 4.22Å; L53-I55 HydrophobicContact CG-CG2 3.8Å; I55-V115 HydrophobicContact CD1-CG1 3.93Å; I55-I117 HydrophobicContact CD1-CG1 3.85Å; I55-I117 HydrophobicContact CG2-CD1 4.48Å; I55-I117 HydrophobicContact CG2-CG1 4.45Å; I55-I117 HydrophobicContact CG2-CG2 4.35Å; I55-T119 CarbonylContact C-O 3.5Å; I55-T119 VanDerWaalsContact CA-O 3.32Å; I55-T119 WeakPolarHBondContact CA-O 3.38Å; I55-I120 HydrophobicContact CG2-CG1 4.21Å; I55-I132 HydrophobicContact CD1-CD1 3.38Å; I55-I132 HydrophobicContact CD1-CG1 3.96Å; I55-I132 HydrophobicContact CG1-CD1 4.31Å; I55-I161 WeakPolarHBondContact O-CA 3.4Å; I55-F162 HydrophobicContact CD1-CD2 4.22Å; I55-F162 HydrophobicContact CG1-CB 4.02Å; I55-F162 HydrophobicContact CG1-CD2 4.16Å; I55-F162 PolarHBondContact N-O 2.86Å; I55-F162 PolarHBondContact O-N 3.04Å; I55-L164 HydrophobicContact CD1-CD1 4.38Å; I55-L164 HydrophobicContact CG1-CD1 4.19Å |
| 56 | A | 90.5 | Very high | 73.4 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 136.5 | 153 | 0 | 0 | 0 | 0 | 0 | 110 | K118 T119 Y121 K159 Y160 I161 | A56-K118 WeakPolarHBondContact O-CA 3.49Å; A56-K118 PolarHBondContact O-N 2.88Å; A56-T119 PolarHBondContact N-O 3.19Å; A56-T119 PolarHBondContact O-N 3.49Å; A56-Y121 HydrophobicContact CB-CE2 3.73Å; A56-K159 HydrophobicContact CB-CD 4.28Å; A56-K159 HydrophobicContact CB-CG 4.1Å; A56-Y160 CarbonylContact C-O 3.56Å; A56-Y160 WeakPolarHBondContact CA-O 3.36Å; A56-I161 HydrophobicContact CB-CG1 4.22Å |
| 57 | G | 89.5 | Confident | 71.4 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 173.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F116 K159 Y160 | G57-F116 CarbonylContact C-O 3.56Å; G57-F116 WeakPolarHBondContact CA-O 3.35Å; G57-K159 WeakPolarHBondContact O-CA 3.38Å; G57-Y160 PolarHBondContact N-O 2.95Å; G57-Y160 PolarHBondContact O-N 3.39Å |
| 58 | R | 86.2 | Confident | 69.2 | Low | 107 Ų | 107 | 74 Ų | 74 | 40% | 0.404 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 143.2 | 173.7 | -65.7 | -174 | 173.6 | 166.6 | 0.5 | 109.1 | V115 F116 N157 | R58-V115 CarbonylContact O-C 3.59Å; R58-V115 WeakPolarHBondContact O-CA 3.48Å; R58-F116 PolarHBondContact N-O 2.82Å; R58-F116 PolarHBondContact O-N 3.43Å; R58-N157 PolarHBondContact NE-O 2.88Å; R58-N157 VanDerWaalsContact NE-O 3.12Å |
| 59 | L | 77.3 | Confident | 66.9 | Low | 23 Ų | 23 | 79.6 Ų | 79.6 | 12% | 0.12 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 139.7 | 176.9 | -60.4 | 129 | 0 | 0 | 0 | 110.4 | Y61 I113 V115 F154 Y160 F162 | L59-Y61 PolarHBondContact O-N 3.31Å; L59-I113 HydrophobicContact CD2-CB 3.99Å; L59-I113 HydrophobicContact CD2-CD1 3.65Å; L59-I113 HydrophobicContact CD2-CG1 4.28Å; L59-I113 HydrophobicContact CD2-CG2 4.34Å; L59-V115 HydrophobicContact CD2-CG2 4.01Å; L59-V115 HydrophobicContact CG-CG2 4.45Å; L59-F154 HydrophobicContact CD1-CD1 3.38Å; L59-F154 HydrophobicContact CD1-CE1 2.99Å; L59-F154 HydrophobicContact CD1-CE2 4.48Å; L59-F154 HydrophobicContact CD1-CG 4.31Å; L59-F154 HydrophobicContact CD1-CZ 3.57Å; L59-F154 HydrophobicContact CD2-CE1 4.05Å; L59-F154 HydrophobicContact CD2-CZ 3.82Å; L59-F154 HydrophobicContact CG-CE1 4.11Å; L59-F154 HydrophobicContact CG-CZ 4.3Å; L59-Y160 HydrophobicContact CD1-CD2 3.74Å; L59-Y160 HydrophobicContact CD1-CE2 3.65Å; L59-F162 HydrophobicContact CD2-CZ 4.4Å |
| 60 | K | 69.8 | Low | 64.7 | Low | 92 Ų | 92 | 75.3 Ų | 75.3 | 40% | 0.4 | 34% | 0.337 | S | S | . | . | trans | -87 | 106.9 | 169.3 | -168.7 | 171.3 | -178 | 169.9 | 0 | 107.3 | H62 T114 E131 | K60-H62 PolarHBondContact O-N 3.33Å; K60-T114 HydrophobicContact CB-CG2 4.24Å; K60-T114 HydrophobicContact CD-CG2 4.2Å; K60-T114 PolarHBondContact N-O 3.48Å; K60-E131 IonicContact NZ-OE1 2.72Å; K60-E131 PolarHBondContact NZ-OE1 2.95Å; K60-E131 IonicContact NZ-OE2 2.82Å; K60-E131 PolarHBondContact NZ-OE2 2.91Å | ||
| 61 | Y | 62.3 | Low | 62.1 | Low | 82 Ų | 82 | 74.8 Ų | 74.8 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | trans | -63.1 | 109.6 | 170.9 | -72.6 | -83.1 | 0 | 0 | 0 | 108.7 | L59 N63 S156 | L59-Y61 PolarHBondContact O-N 3.31Å; Y61-N63 VanDerWaalsContact C-N 3.32Å; Y61-N63 PolarHBondContact O-N 3.12Å; Y61-N63 VanDerWaalsContact O-N 3.14Å; Y61-S156 VanDerWaalsContact OH-CA 3.24Å; Y61-S156 WeakPolarHBondContact OH-CA 2.98Å; Y61-S156 PolarHBondContact OH-N 2.85Å | ||
| 62 | H | 46.9 | Very low | 59.6 | Low | 130 Ų | 130 | 83.5 Ų | 83.5 | 60% | 0.602 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -74.9 | 95.8 | 155.9 | -87 | -83.3 | 0 | 0 | 0 | 106.4 | K60 | K60-H62 PolarHBondContact O-N 3.33Š|
| 63 | N | 40.1 | Very low | 57 | Low | 83 Ų | 83 | 85.5 Ų | 85.5 | 44% | 0.444 | 39% | 0.393 | S | S | . | . | trans | 86.8 | 120.8 | 172.7 | -157.2 | -2.5 | 0 | 0 | 0 | 118.2 | Y61 N65 E66 | Y61-N63 VanDerWaalsContact C-N 3.32Å; Y61-N63 PolarHBondContact O-N 3.12Å; Y61-N63 VanDerWaalsContact O-N 3.14Å; N63-N65 VanDerWaalsContact C-N 3.32Å; N63-N65 PolarHBondContact O-N 3.38Å; N63-N65 PolarHBondContact OD1-N 3.02Å; N63-E66 HydrophobicContact CB-CB 4.25Å | ||
| 64 | K | 39.6 | Very low | 54 | Low | 203 Ų | 203 | 91.8 Ų | 91.8 | 88% | 0.883 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -23.7 | 179.1 | -69.8 | -177.9 | 179.1 | 179.9 | 0 | 113.5 | E66 | K64-E66 VanDerWaalsContact C-N 3.34Š|
| 65 | N | 38.9 | Very low | 51.1 | Low | 148 Ų | 148 | 99.3 Ų | 99.3 | 79% | 0.791 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 4.2 | -177.6 | -70.1 | -3.6 | 0 | 0 | 0 | 113.1 | N63 | N63-N65 VanDerWaalsContact C-N 3.32Å; N63-N65 PolarHBondContact O-N 3.38Å; N63-N65 PolarHBondContact OD1-N 3.02Å |
| 66 | E | 38.6 | Very low | 48.1 | Very low | 59 Ų | 59 | 105.1 Ų | 105.1 | 28% | 0.276 | 49% | 0.493 | S | S | . | . | trans | -130.6 | 57.3 | -171 | -71.4 | -162.2 | 148.3 | 0 | 0 | 111.3 | N63 K64 Y68 K69 | N63-E66 HydrophobicContact CB-CB 4.25Å; K64-E66 VanDerWaalsContact C-N 3.34Å; E66-Y68 PolarHBondContact O-N 3.17Å; E66-K69 HydrophobicContact CB-CB 3.68Å; E66-K69 HydrophobicContact CG-CB 3.66Å; E66-K69 HydrophobicContact CG-CD 4.33Å; E66-K69 PolarHBondContact O-N 3.16Å; E66-K69 WeakPolarHBondContact OE1-CB 3.36Å; E66-K69 WeakPolarHBondContact OE1-CD 3.3Å | ||
| 67 | K | 39.8 | Very low | 45.3 | Very low | 148 Ų | 148 | 108.7 Ų | 108.7 | 64% | 0.643 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -17.8 | 167.9 | -152.5 | 178 | -177.3 | -174.2 | 0 | 112.3 | ||
| 68 | Y | 37.2 | Very low | 42.3 | Very low | 209 Ų | 209 | 115.8 Ų | 115.8 | 82% | 0.82 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.5 | 7.2 | -179.5 | -63.8 | -78.4 | 0 | 0 | 0 | 115.1 | E66 | E66-Y68 PolarHBondContact O-N 3.17Š|
| 69 | K | 33.9 | Very low | 39.7 | Very low | 120 Ų | 120 | 116 Ų | 116 | 52% | 0.522 | 56% | 0.56 | S | S | . | * | trans | -128.7 | 53.3 | 179.9 | -84.4 | -176.8 | 177 | -177.8 | 0 | 110.9 | E66 I71 | E66-K69 HydrophobicContact CB-CB 3.68Å; E66-K69 HydrophobicContact CG-CB 3.66Å; E66-K69 HydrophobicContact CG-CD 4.33Å; E66-K69 PolarHBondContact O-N 3.16Å; E66-K69 WeakPolarHBondContact OE1-CB 3.36Å; E66-K69 WeakPolarHBondContact OE1-CD 3.3Å; K69-I71 HydrophobicContact CG-CD1 4.18Å; K69-I71 PolarHBondContact O-N 3.29Å | ||
| 70 | Q | 35.7 | Very low | 37.2 | Very low | 48 Ų | 48 | 121.2 Ų | 121.2 | 22% | 0.224 | 59% | 0.588 | C | S | . | * | trans | -72.1 | 63.7 | 157.4 | -67.6 | -175.4 | 2 | 0 | 0 | 108.8 | F111 | Q70-F111 HydrophobicContact CB-CD2 4.17Å; Q70-F111 HydrophobicContact CB-CE2 4.41Å; Q70-F111 HydrophobicContact CB-CG 4.5Å | ||
| 71 | I | 32.7 | Very low | 35.1 | Very low | 82 Ų | 82 | 122.4 Ų | 122.4 | 42% | 0.421 | 60% | 0.604 | S | S | . | * | trans | -117.5 | 98.8 | 178.8 | -57.6 | 174.6 | 0 | 0 | 0 | 106.1 | K69 | K69-I71 HydrophobicContact CG-CD1 4.18Å; K69-I71 PolarHBondContact O-N 3.29Å | ||
| 72 | H | 34.7 | Very low | 33.3 | Very low | 184 Ų | 184 | 123.9 Ų | 123.9 | 85% | 0.852 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -114.9 | 113.4 | 147.4 | -123.3 | 67.7 | 0 | 0 | 0 | 107 | ||
| 73 | S | 33.5 | Very low | 32.3 | Very low | 77 Ų | 77 | 124 Ų | 124 | 54% | 0.538 | 63% | 0.626 | S | S | . | * | trans | 58.6 | 119.4 | -177.2 | 60 | 0 | 0 | 0 | 0 | 116.3 | Y75 | S73-Y75 PolarHBondContact O-N 2.99Š| ||
| 74 | N | 26.5 | Very low | 31.6 | Very low | 133 Ų | 133 | 127.6 Ų | 127.6 | 71% | 0.711 | 65% | 0.645 | S | S | * | * | trans | -48.4 | 111.2 | 153 | -77.8 | -9.8 | 0 | 0 | 0 | 108 | T76 | N74-T76 PolarHBondContact O-N 3.31Š| ||
| 75 | Y | 29.4 | Very low | 31 | Very low | 157 Ų | 157 | 123 Ų | 123 | 62% | 0.616 | 63% | 0.634 | S | S | * | * | trans | -86.6 | 91.4 | 146.3 | -85.6 | -76.3 | 0 | 0 | 0 | 106.2 | S73 T77 | S73-Y75 PolarHBondContact O-N 2.99Å; Y75-T77 HydrophobicContact CD1-CG2 3.47Å; Y75-T77 VanDerWaalsContact CD1-CG2 3.47Å; Y75-T77 HydrophobicContact CE1-CG2 4.22Å; Y75-T77 HydrophobicContact CG-CG2 4.17Å; Y75-T77 PolarHBondContact O-N 3.5Å | ||
| 76 | T | 28.1 | Very low | 30.2 | Very low | 123 Ų | 123 | 122.6 Ų | 122.6 | 76% | 0.755 | 64% | 0.637 | S | S | * | * | trans | -71.2 | 78.9 | 140.6 | 47.4 | 0 | 0 | 0 | 0 | 104.8 | N74 D78 | N74-T76 PolarHBondContact O-N 3.31Å; T76-D78 PolarHBondContact O-N 2.85Å | ||
| 77 | T | 30.6 | Very low | 29.6 | Very low | 75 Ų | 75 | 125 Ų | 125 | 46% | 0.46 | 66% | 0.656 | S | S | . | * | trans | -75.4 | 119 | 161.4 | 37.7 | 0 | 0 | 0 | 0 | 105 | Y75 I79 | Y75-T77 HydrophobicContact CD1-CG2 3.47Å; Y75-T77 VanDerWaalsContact CD1-CG2 3.47Å; Y75-T77 HydrophobicContact CE1-CG2 4.22Å; Y75-T77 HydrophobicContact CG-CG2 4.17Å; Y75-T77 PolarHBondContact O-N 3.5Å; T77-I79 PolarHBondContact O-N 3.48Å; T77-I79 WeakPolarHBondContact OG1-CG1 3.39Å | ||
| 78 | D | 26.5 | Very low | 28.7 | Very low | 149 Ų | 149 | 124.5 Ų | 124.5 | 80% | 0.797 | 67% | 0.666 | S | S | * | * | trans | -54.5 | 77.4 | 150.4 | -67 | -43.8 | 0 | 0 | 0 | 107.1 | T76 N80 | T76-D78 PolarHBondContact O-N 2.85Å; D78-N80 PolarHBondContact O-N 3.27Å | ||
| 79 | I | 31.8 | Very low | 28.2 | Very low | 112 Ų | 112 | 120.4 Ų | 120.4 | 57% | 0.574 | 66% | 0.663 | S | S | * | * | trans | -72.3 | 86.2 | 159.9 | -59.7 | 176.6 | 0 | 0 | 0 | 102.8 | T77 T81 | T77-I79 PolarHBondContact O-N 3.48Å; T77-I79 WeakPolarHBondContact OG1-CG1 3.39Å; I79-T81 HydrophobicContact CG2-CG2 4.1Å; I79-T81 PolarHBondContact O-N 3.5Å | ||
| 80 | N | 24.5 | Very low | 27.8 | Very low | 131 Ų | 131 | 121 Ų | 121 | 70% | 0.701 | 68% | 0.676 | S | S | * | * | trans | -50.6 | 92.2 | 152.2 | -80.6 | -24.6 | 0 | 0 | 0 | 105.9 | D78 T82 | D78-N80 PolarHBondContact O-N 3.27Å; N80-T82 PolarHBondContact O-N 3.22Å | ||
| 81 | T | 27.1 | Very low | 27.2 | Very low | 118 Ų | 118 | 125 Ų | 125 | 72% | 0.724 | 71% | 0.705 | S | S | * | * | trans | -66.5 | 72 | 156.2 | 49.1 | 0 | 0 | 0 | 0 | 106.5 | I79 D83 | I79-T81 HydrophobicContact CG2-CG2 4.1Å; I79-T81 PolarHBondContact O-N 3.5Å; T81-D83 PolarHBondContact O-N 2.92Å | ||
| 82 | T | 24 | Very low | 26.9 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | trans | -80.1 | 55.5 | 150.7 | 49.7 | 0 | 0 | 0 | 0 | 107.6 | N80 | N80-T82 PolarHBondContact O-N 3.22Š| ||
| 83 | D | 26 | Very low | 26.4 | Very low | 133 Ų | 133 | 124.4 Ų | 124.4 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | trans | -103.6 | 94.2 | 153.9 | -83.3 | -24.6 | 0 | 0 | 0 | 105 | T81 T85 | T81-D83 PolarHBondContact O-N 2.92Å; D83-T85 PolarHBondContact O-N 3.39Å | ||
| 84 | N | 24.8 | Very low | 26 | Very low | 158 Ų | 158 | 126.9 Ų | 126.9 | 85% | 0.845 | 73% | 0.73 | S | S | * | * | trans | -61.6 | 72.6 | 164.2 | -76 | -24.4 | 0 | 0 | 0 | 108.6 | ||||
| 85 | T | 26.3 | Very low | 25.9 | Very low | 107 Ų | 107 | 127 Ų | 127 | 66% | 0.656 | 74% | 0.736 | S | S | * | * | trans | -98.4 | 96.5 | 157.2 | 53.9 | 0 | 0 | 0 | 0 | 106.6 | D83 T87 | D83-T85 PolarHBondContact O-N 3.39Å; T85-T87 PolarHBondContact O-N 2.86Å | ||
| 86 | T | 23 | Very low | 26 | Very low | 139 Ų | 139 | 125.6 Ų | 125.6 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | trans | -53.4 | 83 | 168 | 37.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 87 | T | 25.4 | Very low | 26.2 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | trans | -97.7 | 97.8 | 160 | 47.7 | 0 | 0 | 0 | 0 | 108 | T85 T89 | T85-T87 PolarHBondContact O-N 2.86Å; T87-T89 PolarHBondContact O-N 2.79Å | ||
| 88 | T | 22.3 | Very low | 26.2 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -49 | 99.4 | 165.3 | 39.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 89 | T | 26.3 | Very low | 26.2 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | -103.1 | 103.7 | 163 | 43.3 | 0 | 0 | 0 | 0 | 108.7 | T87 T91 | T87-T89 PolarHBondContact O-N 2.79Å; T89-T91 PolarHBondContact O-N 3.28Å | ||
| 90 | T | 24.6 | Very low | 25.8 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | -47.3 | 117.6 | 166.8 | 35.8 | 0 | 0 | 0 | 0 | 111.2 | T92 | T90-T92 PolarHBondContact O-N 2.93Š| ||
| 91 | T | 24 | Very low | 25.8 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | trans | -77 | 97.7 | 171.7 | 31.8 | 0 | 0 | 0 | 0 | 110 | T89 T93 | T89-T91 PolarHBondContact O-N 3.28Å; T91-T93 PolarHBondContact O-N 2.84Å | ||
| 92 | T | 25.9 | Very low | 25.7 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -81.5 | 104.9 | 160.2 | 41 | 0 | 0 | 0 | 0 | 109 | T90 T94 | T90-T92 PolarHBondContact O-N 2.93Å; T92-T94 PolarHBondContact O-N 3.4Å | ||
| 93 | T | 23.1 | Very low | 25.7 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | -73.4 | 106.7 | 173.7 | 46.5 | 0 | 0 | 0 | 0 | 110.4 | T91 | T91-T93 PolarHBondContact O-N 2.84Š| ||
| 94 | T | 26.1 | Very low | 25.8 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -110.2 | 109.3 | 159.2 | 42.3 | 0 | 0 | 0 | 0 | 108.8 | T92 T96 | T92-T94 PolarHBondContact O-N 3.4Å; T94-T96 PolarHBondContact O-N 3.47Å | ||
| 95 | T | 25.4 | Very low | 26.3 | Very low | 134 Ų | 134 | 133 Ų | 133 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | -73.4 | 109.2 | 176.5 | 43.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 96 | T | 31.4 | Very low | 27 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | -139.9 | 101.1 | 157.7 | 48.6 | 0 | 0 | 0 | 0 | 109.8 | T94 | T94-T96 PolarHBondContact O-N 3.47Š| ||
| 97 | N | 32.1 | Very low | 28 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | trans | 30.5 | 98.8 | 152.3 | -62.2 | -8.6 | 0 | 0 | 0 | 118.7 | T99 | N97-T99 PolarHBondContact O-N 2.75Å; N97-T99 VanDerWaalsContact O-N 3.17Å | ||
| 98 | N | 31 | Very low | 29.2 | Very low | 158 Ų | 158 | 128.2 Ų | 128.2 | 85% | 0.845 | 72% | 0.723 | S | S | * | * | trans | 26 | 76 | 135.1 | -67.4 | -2.5 | 0 | 0 | 0 | 117.2 | ||||
| 99 | T | 26.2 | Very low | 30.7 | Very low | 107 Ų | 107 | 127.5 Ų | 127.5 | 66% | 0.656 | 71% | 0.711 | S | S | * | * | trans | -135.8 | 102.8 | 134.2 | 38.8 | 0 | 0 | 0 | 0 | 107.4 | N97 Y101 | N97-T99 PolarHBondContact O-N 2.75Å; N97-T99 VanDerWaalsContact O-N 3.17Å; T99-Y101 HydrophobicContact CG2-CE2 4.44Å; T99-Y101 PolarHBondContact O-N 3.21Å | ||
| 100 | T | 22.8 | Very low | 32.5 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 76% | 0.761 | 69% | 0.694 | S | S | * | * | trans | -70.8 | 79.3 | 175.7 | -26.2 | 0 | 0 | 0 | 0 | 108.2 | N102 | T100-N102 VanDerWaalsContact C-N 3.35Å; T100-N102 PolarHBondContact O-N 2.92Å; T100-N102 VanDerWaalsContact O-N 3.16Å | ||
| 101 | Y | 23.7 | Very low | 34.4 | Very low | 184 Ų | 184 | 121 Ų | 121 | 72% | 0.722 | 66% | 0.66 | S | S | * | * | trans | -75.6 | 97.3 | 160.4 | -72.7 | -77.7 | 0 | 0 | 0 | 106.6 | T99 T103 | T99-Y101 HydrophobicContact CG2-CE2 4.44Å; T99-Y101 PolarHBondContact O-N 3.21Å; Y101-T103 PolarHBondContact O-N 3.34Å | ||
| 102 | N | 24.8 | Very low | 37 | Very low | 138 Ų | 138 | 118.3 Ų | 118.3 | 74% | 0.738 | 64% | 0.64 | S | S | * | * | trans | -65.8 | 74.3 | 161.6 | -80.8 | -5.7 | 0 | 0 | 0 | 108.1 | T100 T104 | T100-N102 VanDerWaalsContact C-N 3.35Å; T100-N102 PolarHBondContact O-N 2.92Å; T100-N102 VanDerWaalsContact O-N 3.16Å; N102-T104 PolarHBondContact O-N 3.07Å; N102-T104 VanDerWaalsContact O-N 3.14Å | ||
| 103 | T | 25.3 | Very low | 39.5 | Very low | 98 Ų | 98 | 112.5 Ų | 112.5 | 60% | 0.601 | 60% | 0.604 | S | S | * | * | trans | -84.7 | 67.4 | 167.8 | 43.8 | 0 | 0 | 0 | 0 | 108.8 | Y101 Y105 | Y101-T103 PolarHBondContact O-N 3.34Å; T103-Y105 HydrophobicContact CG2-CD2 4.11Å; T103-Y105 HydrophobicContact CG2-CE2 4.45Å; T103-Y105 PolarHBondContact O-N 2.89Å | ||
| 104 | T | 28.3 | Very low | 42.3 | Very low | 134 Ų | 134 | 107.7 Ų | 107.7 | 82% | 0.822 | 58% | 0.575 | S | S | * | * | trans | -72.7 | 64.5 | 158.1 | 34.3 | 0 | 0 | 0 | 0 | 109 | N102 N106 | N102-T104 PolarHBondContact O-N 3.07Å; N102-T104 VanDerWaalsContact O-N 3.14Å; T104-N106 VanDerWaalsContact C-N 3.29Å; T104-N106 PolarHBondContact O-N 3.46Å | ||
| 105 | Y | 34 | Very low | 45.2 | Very low | 169 Ų | 169 | 101.6 Ų | 101.6 | 66% | 0.663 | 54% | 0.537 | S | S | * | . | trans | -84.9 | 74 | 169.4 | -92.4 | -71.3 | 0 | 0 | 0 | 108.9 | T103 D107 | T103-Y105 HydrophobicContact CG2-CD2 4.11Å; T103-Y105 HydrophobicContact CG2-CE2 4.45Å; T103-Y105 PolarHBondContact O-N 2.89Å; Y105-D107 VanDerWaalsContact CD1-CG 3.44Å; Y105-D107 WeakPolarHBondContact CD1-OD1 3.17Å; Y105-D107 WeakPolarHBondContact CD1-OD2 3.38Å; Y105-D107 WeakPolarHBondContact CE1-OD2 3.27Å; Y105-D107 PolarHBondContact O-N 3.49Å; Y105-D107 VanDerWaalsContact O-N 3.13Å | ||
| 106 | N | 42.3 | Very low | 48.1 | Very low | 151 Ų | 151 | 98.5 Ų | 98.5 | 81% | 0.807 | 51% | 0.513 | S | S | * | . | trans | -82.4 | 58.5 | 163.7 | -99.4 | -2.8 | 0 | 0 | 0 | 109.2 | T104 N108 | T104-N106 VanDerWaalsContact C-N 3.29Å; T104-N106 PolarHBondContact O-N 3.46Å; N106-N108 PolarHBondContact O-N 2.87Å | ||
| 107 | D | 44.2 | Very low | 50.8 | Low | 75 Ų | 75 | 93.2 Ų | 93.2 | 40% | 0.401 | 48% | 0.479 | S | S | . | . | trans | -77.2 | 46.7 | -177.5 | -82.2 | 1.1 | 0 | 0 | 0 | 112.5 | Y105 R145 | Y105-D107 VanDerWaalsContact CD1-CG 3.44Å; Y105-D107 WeakPolarHBondContact CD1-OD1 3.17Å; Y105-D107 WeakPolarHBondContact CD1-OD2 3.38Å; Y105-D107 WeakPolarHBondContact CE1-OD2 3.27Å; Y105-D107 PolarHBondContact O-N 3.49Å; Y105-D107 VanDerWaalsContact O-N 3.13Å; D107-R145 PolarHBondContact O-NH2 3.1Å | ||
| 108 | N | 49.6 | Very low | 53.5 | Low | 27 Ų | 27 | 91 Ų | 91 | 14% | 0.144 | 46% | 0.462 | C | S | . | . | trans | -93.5 | 98.1 | 170.4 | -122 | -1.6 | 0 | 0 | 0 | 108.1 | N106 Y110 F138 R145 | N106-N108 PolarHBondContact O-N 2.87Å; N108-Y110 HydrophobicContact CB-CD2 4.32Å; N108-Y110 HydrophobicContact CB-CE2 3.7Å; N108-Y110 PolarHBondContact ND2-OH 3.42Å; N108-Y110 VanDerWaalsContact ND2-OH 3.07Å; N108-Y110 WeakPolarHBondContact O-CD2 3.45Å; N108-Y110 PolarHBondContact O-N 2.89Å; N108-F138 WeakPolarHBondContact OD1-CD2 3.4Å; N108-R145 VanDerWaalsContact CB-NH1 3.3Å; N108-R145 VanDerWaalsContact CG-NE 3.34Å; N108-R145 WeakPolarHBondContact ND2-CD 3.32Å; N108-R145 PolarHBondContact ND2-NH1 2.8Å; N108-R145 WeakPolarHBondContact OD1-CD 3.38Å; N108-R145 PolarHBondContact OD1-NE 2.85Å; N108-R145 PolarHBondContact OD1-NH1 3.23Å | ||
| 109 | M | 53.6 | Low | 56.1 | Low | 124 Ų | 124 | 85.2 Ų | 85.2 | 61% | 0.611 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 106.7 | 171.9 | -71.5 | -169.5 | 177.3 | 0 | 0 | 108.7 | F138 | M109-F138 VanDerWaalsContact O-CA 3.31Å; M109-F138 WeakPolarHBondContact O-CA 3.05Å; M109-F138 WeakPolarHBondContact O-CB 3.27Å |
| 110 | Y | 63.4 | Low | 58.9 | Low | 98 Ų | 98 | 84.1 Ų | 84.1 | 38% | 0.384 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 134.8 | 169.1 | -61.8 | -82.7 | 0 | 0 | 0 | 110 | N108 P136 V137 F138 | N108-Y110 HydrophobicContact CB-CD2 4.32Å; N108-Y110 HydrophobicContact CB-CE2 3.7Å; N108-Y110 PolarHBondContact ND2-OH 3.42Å; N108-Y110 VanDerWaalsContact ND2-OH 3.07Å; N108-Y110 WeakPolarHBondContact O-CD2 3.45Å; N108-Y110 PolarHBondContact O-N 2.89Å; Y110-P136 HydrophobicContact CD1-CB 4.05Å; Y110-P136 HydrophobicContact CG-CB 4.4Å; Y110-V137 CarbonylContact C-O 3.58Å; Y110-V137 VanDerWaalsContact CA-O 3.31Å; Y110-V137 WeakPolarHBondContact CA-O 3.46Å; Y110-F138 HydrophobicContact CD1-CB 3.69Å; Y110-F138 HydrophobicContact CD1-CD1 4.48Å; Y110-F138 HydrophobicContact CD1-CG 4.43Å; Y110-F138 HydrophobicContact CE1-CB 3.85Å; Y110-F138 HydrophobicContact CE1-CD1 4.08Å; Y110-F138 HydrophobicContact CE1-CG 4.14Å; Y110-F138 HydrophobicContact CG-CB 4.38Å |
| 111 | F | 65.6 | Low | 61.8 | Low | 21 Ų | 21 | 79.6 Ų | 79.6 | 9% | 0.092 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 167.4 | 177.8 | 56.3 | -84.9 | 0 | 0 | 0 | 110.7 | Q70 I113 V137 I139 L151 | Q70-F111 HydrophobicContact CB-CD2 4.17Å; Q70-F111 HydrophobicContact CB-CE2 4.41Å; Q70-F111 HydrophobicContact CB-CG 4.5Å; F111-I113 HydrophobicContact CD2-CG2 3.65Å; F111-I113 HydrophobicContact CE2-CG2 3.34Å; F111-V137 WeakPolarHBondContact CD1-O 3.37Å; F111-V137 HydrophobicContact CD2-CG1 4.45Å; F111-V137 HydrophobicContact CE1-CG1 4.4Å; F111-V137 HydrophobicContact CE2-CB 4.43Å; F111-V137 HydrophobicContact CE2-CG1 3.8Å; F111-V137 HydrophobicContact CZ-CG1 3.77Å; F111-V137 PolarHBondContact N-O 2.9Å; F111-V137 PolarHBondContact O-N 3.23Å; F111-I139 HydrophobicContact CE1-CB 4.17Å; F111-I139 HydrophobicContact CE1-CD1 3.47Å; F111-I139 VanDerWaalsContact CE1-CD1 3.47Å; F111-I139 HydrophobicContact CE1-CG1 3.52Å; F111-I139 HydrophobicContact CZ-CD1 3.44Å; F111-I139 VanDerWaalsContact CZ-CD1 3.44Å; F111-I139 HydrophobicContact CZ-CG1 3.56Å; F111-L151 HydrophobicContact CE2-CD1 3.96Å; F111-L151 HydrophobicContact CZ-CD1 3.76Å |
| 112 | N | 78 | Confident | 64.7 | Low | 75 Ų | 75 | 72.4 Ų | 72.4 | 40% | 0.401 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 137.8 | 172.5 | -63.8 | -34.5 | 0 | 0 | 0 | 109 | I133 I134 G135 Y175 | N112-I133 HydrophobicContact CB-CG2 3.8Å; N112-I134 CarbonylContact C-O 3.54Å; N112-I134 WeakPolarHBondContact CA-O 3.04Å; N112-G135 WeakPolarHBondContact OD1-CA 3.4Å; N112-Y175 WeakPolarHBondContact OD1-CE2 3.45Å; N112-Y175 PolarHBondContact OD1-OH 3.46Å |
| 113 | I | 78.1 | Confident | 67.5 | Low | 6 Ų | 6 | 68.5 Ų | 68.5 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 147.3 | 174.8 | 59.2 | 175.3 | 0 | 0 | 0 | 110.3 | L59 F111 V115 I133 I134 V137 L151 F162 | L59-I113 HydrophobicContact CD2-CB 3.99Å; L59-I113 HydrophobicContact CD2-CD1 3.65Å; L59-I113 HydrophobicContact CD2-CG1 4.28Å; L59-I113 HydrophobicContact CD2-CG2 4.34Å; F111-I113 HydrophobicContact CD2-CG2 3.65Å; F111-I113 HydrophobicContact CE2-CG2 3.34Å; I113-V115 HydrophobicContact CD1-CG2 4.17Å; I113-V115 HydrophobicContact CG1-CG2 4.38Å; I113-I133 CarbonylContact O-C 3.51Å; I113-I133 WeakPolarHBondContact O-CA 3.43Å; I113-I134 HydrophobicContact CD1-CB 4.11Å; I113-I134 HydrophobicContact CD1-CD1 4.34Å; I113-I134 HydrophobicContact CD1-CG2 4.42Å; I113-I134 HydrophobicContact CG1-CB 3.73Å; I113-I134 HydrophobicContact CG1-CG2 4.4Å; I113-I134 WeakPolarHBondContact CG1-O 3.37Å; I113-I134 PolarHBondContact N-O 3.42Å; I113-I134 PolarHBondContact O-N 2.84Å; I113-V137 HydrophobicContact CD1-CG2 4.11Å; I113-V137 HydrophobicContact CG1-CG2 4.22Å; I113-V137 HydrophobicContact CG2-CG1 4.31Å; I113-L151 HydrophobicContact CG2-CD1 4.31Å; I113-F162 HydrophobicContact CD1-CE1 3.88Å; I113-F162 HydrophobicContact CD1-CZ 4.37Å |
| 114 | T | 82.2 | Confident | 70.1 | Confident | 26 Ų | 26 | 68 Ų | 68 | 16% | 0.16 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 129.1 | 171.4 | -56.1 | 0 | 0 | 0 | 0 | 109.3 | K60 E131 I132 | K60-T114 HydrophobicContact CB-CG2 4.24Å; K60-T114 HydrophobicContact CD-CG2 4.2Å; K60-T114 PolarHBondContact N-O 3.48Å; T114-E131 HydrophobicContact CG2-CB 4.37Å; T114-I132 WeakPolarHBondContact CA-O 3.4Å |
| 115 | V | 86.7 | Confident | 72.3 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 126.7 | -177.4 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | I55 R58 L59 I113 E131 I132 I134 F162 | I55-V115 HydrophobicContact CD1-CG1 3.93Å; R58-V115 CarbonylContact O-C 3.59Å; R58-V115 WeakPolarHBondContact O-CA 3.48Å; L59-V115 HydrophobicContact CD2-CG2 4.01Å; L59-V115 HydrophobicContact CG-CG2 4.45Å; I113-V115 HydrophobicContact CD1-CG2 4.17Å; I113-V115 HydrophobicContact CG1-CG2 4.38Å; V115-E131 WeakPolarHBondContact O-CA 3.36Å; V115-I132 HydrophobicContact CB-CG1 4.24Å; V115-I132 PolarHBondContact N-O 3.03Å; V115-I132 PolarHBondContact O-N 2.79Å; V115-I134 HydrophobicContact CB-CD1 4.16Å; V115-I134 HydrophobicContact CG2-CD1 3.58Å; V115-I134 HydrophobicContact CG2-CG1 4.43Å; V115-F162 HydrophobicContact CB-CE2 4.47Å; V115-F162 HydrophobicContact CG1-CD2 4.23Å; V115-F162 HydrophobicContact CG1-CE2 3.77Å; V115-F162 HydrophobicContact CG1-CZ 4.49Å; V115-F162 HydrophobicContact CG2-CE1 4.38Å; V115-F162 HydrophobicContact CG2-CE2 3.86Å; V115-F162 HydrophobicContact CG2-CZ 3.78Å |
| 116 | F | 86.4 | Confident | 74 | Confident | 70 Ų | 70 | 64.1 Ų | 64.1 | 31% | 0.307 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 118.4 | 167.2 | -174.4 | -88.7 | 0 | 0 | 0 | 109.7 | G57 R58 K118 N130 E131 | G57-F116 CarbonylContact C-O 3.56Å; G57-F116 WeakPolarHBondContact CA-O 3.35Å; R58-F116 PolarHBondContact N-O 2.82Å; R58-F116 PolarHBondContact O-N 3.43Å; F116-K118 HydrophobicContact CD1-CD 4.12Å; F116-K118 HydrophobicContact CD1-CG 4.36Å; F116-K118 HydrophobicContact CE1-CD 3.95Å; F116-N130 HydrophobicContact CE2-CB 3.97Å; F116-N130 HydrophobicContact CZ-CB 4.35Å; F116-E131 HydrophobicContact CD2-CG 4.1Å |
| 117 | I | 88.7 | Confident | 75.4 | Confident | 18 Ų | 18 | 58.6 Ų | 58.6 | 9% | 0.092 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 129.9 | -178.9 | -61.8 | 170.4 | 0 | 0 | 0 | 109.6 | I55 I120 N130 I132 | I55-I117 HydrophobicContact CD1-CG1 3.85Å; I55-I117 HydrophobicContact CG2-CD1 4.48Å; I55-I117 HydrophobicContact CG2-CG1 4.45Å; I55-I117 HydrophobicContact CG2-CG2 4.35Å; I117-I120 HydrophobicContact CG2-CD1 4.13Å; I117-I120 HydrophobicContact CG2-CG1 3.51Å; I117-N130 PolarHBondContact N-O 3.23Å; I117-I132 HydrophobicContact CD1-CG1 4.43Å; I117-I132 HydrophobicContact CD1-CG2 3.66Å; I117-I132 HydrophobicContact CG1-CG1 4.4Å; I117-I132 HydrophobicContact CG1-CG2 4.47Å |
| 118 | K | 88.1 | Confident | 76.5 | Confident | 109 Ų | 109 | 61.5 Ų | 61.5 | 47% | 0.474 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -38.5 | 170.9 | -73.4 | -66.1 | -178.8 | -173.8 | 0 | 112.4 | A56 F116 | A56-K118 WeakPolarHBondContact O-CA 3.49Å; A56-K118 PolarHBondContact O-N 2.88Å; F116-K118 HydrophobicContact CD1-CD 4.12Å; F116-K118 HydrophobicContact CD1-CG 4.36Å; F116-K118 HydrophobicContact CE1-CD 3.95Å |
| 119 | T | 86.3 | Confident | 77.8 | Confident | 35 Ų | 35 | 64.4 Ų | 64.4 | 22% | 0.215 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 136.5 | -178.2 | -46.5 | 0 | 0 | 0 | 0 | 108.2 | I55 A56 Y121 | I55-T119 CarbonylContact C-O 3.5Å; I55-T119 VanDerWaalsContact CA-O 3.32Å; I55-T119 WeakPolarHBondContact CA-O 3.38Å; A56-T119 PolarHBondContact N-O 3.19Å; A56-T119 PolarHBondContact O-N 3.49Å; T119-Y121 HydrophobicContact CG2-CD1 4.06Å; T119-Y121 HydrophobicContact CG2-CE1 3.65Å |
| 120 | I | 86 | Confident | 79.3 | Confident | 85 Ų | 85 | 63.9 Ų | 63.9 | 44% | 0.436 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 118.3 | 173.2 | -59.8 | 171.1 | 0 | 0 | 0 | 106.4 | L53 I55 I117 M123 | L53-I120 HydrophobicContact CD1-CG2 4.27Å; I55-I120 HydrophobicContact CG2-CG1 4.21Å; I117-I120 HydrophobicContact CG2-CD1 4.13Å; I117-I120 HydrophobicContact CG2-CG1 3.51Å; I120-M123 HydrophobicContact CD1-CE 3.83Å; I120-M123 HydrophobicContact CG1-CE 4.34Å; I120-M123 HydrophobicContact CG2-CB 3.82Å; I120-M123 HydrophobicContact CG2-CE 3.87Å |
| 121 | Y | 83.1 | Confident | 80.4 | Confident | 28 Ų | 28 | 62.5 Ų | 62.5 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | -34 | 178.1 | -55.6 | -71 | 0 | 0 | 0 | 112.1 | I54 A56 T119 I161 E190 I193 Y194 | I54-Y121 HydrophobicContact CG2-CD2 3.9Å; I54-Y121 PolarHBondContact O-N 2.87Å; A56-Y121 HydrophobicContact CB-CE2 3.73Å; T119-Y121 HydrophobicContact CG2-CD1 4.06Å; T119-Y121 HydrophobicContact CG2-CE1 3.65Å; Y121-I161 HydrophobicContact CE2-CG1 4.46Å; Y121-E190 HydrophobicContact CE1-CG 3.84Å; Y121-E190 PolarHBondContact OH-OE1 2.85Å; Y121-I193 HydrophobicContact CD1-CG2 4.24Å; Y121-I193 HydrophobicContact CD2-CD1 4.32Å; Y121-I193 HydrophobicContact CD2-CG2 4.3Å; Y121-I193 HydrophobicContact CE2-CD1 4.33Å; Y121-I193 HydrophobicContact CG-CG2 3.82Å; Y121-Y194 HydrophobicContact CD1-CE1 4.14Å; Y121-Y194 AromaticContact CD1-CE2 3.97Å; Y121-Y194 HydrophobicContact CD1-CE2 3.97Å; Y121-Y194 AromaticContact CD1-CZ 3.72Å; Y121-Y194 HydrophobicContact CE1-CD2 4.45Å; Y121-Y194 AromaticContact CE1-CE2 3.7Å; Y121-Y194 HydrophobicContact CE1-CE2 3.7Å; Y121-Y194 AromaticContact CE1-CZ 3.79Å |
| 122 | K | 83.6 | Confident | 81.4 | Confident | 33 Ų | 33 | 61.6 Ų | 61.6 | 14% | 0.143 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 138.5 | 177.6 | -178.4 | -178 | -176.6 | -173.3 | 0 | 109.5 | S51 L53 I54 N124 Y197 | S51-K122 WeakPolarHBondContact O-CD 3.3Å; S51-K122 WeakPolarHBondContact O-CE 3.29Å; S51-K122 PolarHBondContact O-NZ 2.73Å; L53-K122 WeakPolarHBondContact CA-O 3.21Å; L53-K122 WeakPolarHBondContact CD1-O 3.35Å; I54-K122 HydrophobicContact CB-CB 4.07Å; I54-K122 HydrophobicContact CD1-CB 4.05Å; I54-K122 HydrophobicContact CD1-CD 4.11Å; I54-K122 HydrophobicContact CG1-CB 3.98Å; I54-K122 HydrophobicContact CG1-CD 4.37Å; I54-K122 PolarHBondContact N-O 2.74Å; I54-K122 PolarHBondContact O-N 3.34Å; K122-N124 WeakPolarHBondContact CE-OD1 3.34Å; K122-Y197 HydrophobicContact CD-CD1 4.23Å; K122-Y197 HydrophobicContact CD-CD2 4.13Å; K122-Y197 HydrophobicContact CD-CE1 3.92Å; K122-Y197 HydrophobicContact CD-CE2 3.67Å; K122-Y197 HydrophobicContact CD-CG 4.41Å; K122-Y197 VanDerWaalsContact NZ-CZ 3.31Å; K122-Y197 PolarHBondContact NZ-OH 2.91Å |
| 123 | M | 83.4 | Confident | 81.7 | Confident | 57 Ų | 57 | 61.3 Ų | 61.3 | 28% | 0.281 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 113.4 | 177 | -176.6 | 72.9 | 73.6 | 0 | 0 | 110 | L53 I120 H125 M127 | L53-M123 HydrophobicContact CD1-CB 4.4Å; L53-M123 HydrophobicContact CD1-CE 3.24Å; L53-M123 HydrophobicContact CD1-SD 3.5Å; L53-M123 WeakPolarHBondContact CD1-SD 3.46Å; L53-M123 HydrophobicContact CD2-CE 4.18Å; L53-M123 HydrophobicContact CD2-SD 4.24Å; L53-M123 HydrophobicContact CG-CE 4.32Å; L53-M123 HydrophobicContact CG-SD 4.31Å; I120-M123 HydrophobicContact CD1-CE 3.83Å; I120-M123 HydrophobicContact CG1-CE 4.34Å; I120-M123 HydrophobicContact CG2-CB 3.82Å; I120-M123 HydrophobicContact CG2-CE 3.87Å; M123-H125 WeakPolarHBondContact CG-O 3.22Å; M123-M127 HydrophobicContact CE-CB 3.66Å; M123-M127 HydrophobicContact CE-CG 3.5Å; M123-M127 VanDerWaalsContact CE-CG 3.5Å; M123-M127 HydrophobicContact SD-CB 4.01Å; M123-M127 HydrophobicContact SD-CG 3.52Å; M123-M127 VanDerWaalsContact SD-CG 3.52Å |
| 124 | N | 80.6 | Confident | 82 | Confident | 87 Ų | 87 | 61 Ų | 61 | 47% | 0.465 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -88.2 | -11.9 | 177.4 | -69.1 | -4.7 | 0 | 0 | 0 | 113.6 | D52 K122 | D52-N124 PolarHBondContact O-N 2.85Å; D52-N124 PolarHBondContact OD1-ND2 3.25Å; K122-N124 WeakPolarHBondContact CE-OD1 3.34Å |
| 125 | H | 75.6 | Confident | 81.9 | Confident | 67 Ų | 67 | 59.8 Ų | 59.8 | 31% | 0.31 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -133.4 | 145.5 | -174.6 | -60.3 | -68.7 | 0 | 0 | 0 | 111.7 | M123 M127 K166 | M123-H125 WeakPolarHBondContact CG-O 3.22Å; H125-M127 PolarHBondContact O-N 2.99Å; H125-K166 HydrophobicContact CB-CD 4.33Å; H125-K166 WeakPolarHBondContact CD2-CD 3.38Å |
| 126 | L | 69.1 | Low | 81.1 | Confident | 155 Ų | 155 | 62.5 Ų | 62.5 | 81% | 0.812 | 32% | 0.318 | S | S | * | . | trans | -60.4 | 133.2 | 177.8 | -135.6 | 85.8 | 0 | 0 | 0 | 110.8 | ||||
| 127 | M | 71.3 | Confident | 80.3 | Confident | 35 Ų | 35 | 59.2 Ų | 59.2 | 17% | 0.172 | 30% | 0.304 | C | S | . | . | trans | -130 | 125.1 | -176.7 | -97.1 | -71.5 | -168.7 | 0 | 0 | 109.5 | L53 M123 H125 I132 N174 Y176 | L53-M127 HydrophobicContact CD2-CE 4.46Å; M123-M127 HydrophobicContact CE-CB 3.66Å; M123-M127 HydrophobicContact CE-CG 3.5Å; M123-M127 VanDerWaalsContact CE-CG 3.5Å; M123-M127 HydrophobicContact SD-CB 4.01Å; M123-M127 HydrophobicContact SD-CG 3.52Å; M123-M127 VanDerWaalsContact SD-CG 3.52Å; H125-M127 PolarHBondContact O-N 2.99Å; M127-I132 HydrophobicContact CE-CG2 3.64Å; M127-I132 HydrophobicContact SD-CG2 4.28Å; M127-N174 HydrophobicContact CE-CB 4.35Å; M127-N174 PolarHBondContact SD-OD1 2.83Å; M127-N174 VanDerWaalsContact SD-OD1 3.41Å; M127-Y176 HydrophobicContact CE-CD2 4.15Å; M127-Y176 HydrophobicContact CE-CE2 3.01Å; M127-Y176 WeakPolarHBondContact CE-OH 3.36Å | ||
| 128 | N | 67.2 | Low | 79.1 | Confident | 135 Ų | 135 | 58.5 Ų | 58.5 | 72% | 0.722 | 30% | 0.3 | S | S | * | . | trans | -106.1 | -11.9 | -176.4 | -69 | 4 | 0 | 0 | 0 | 113.3 | ||||
| 129 | N | 77.4 | Confident | 77.6 | Confident | 88 Ų | 88 | 56.8 Ų | 56.8 | 47% | 0.471 | 30% | 0.295 | S | S | . | . | trans | -112 | 140.4 | -173.7 | -67.1 | 12.8 | 0 | 0 | 0 | 111.2 | E131 N174 | N129-E131 PolarHBondContact O-N 3.1Å; N129-N174 WeakPolarHBondContact CB-ND2 3.33Å; N129-N174 PolarHBondContact ND2-ND2 2.83Å | ||
| 130 | N | 85 | Confident | 76 | Confident | 114 Ų | 114 | 55.7 Ų | 55.7 | 61% | 0.61 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -74.9 | 0.8 | 173.1 | -65 | -4.8 | 0 | 0 | 0 | 112.9 | F116 I117 | F116-N130 HydrophobicContact CE2-CB 3.97Å; F116-N130 HydrophobicContact CZ-CB 4.35Å; I117-N130 PolarHBondContact N-O 3.23Å |
| 131 | E | 85.8 | Confident | 74.3 | Confident | 69 Ų | 69 | 56.3 Ų | 56.3 | 32% | 0.322 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 137 | -178.7 | -64.2 | -174.3 | 176.1 | 0 | 0 | 110.1 | K60 T114 V115 F116 N129 | K60-E131 IonicContact NZ-OE1 2.72Å; K60-E131 PolarHBondContact NZ-OE1 2.95Å; K60-E131 IonicContact NZ-OE2 2.82Å; K60-E131 PolarHBondContact NZ-OE2 2.91Å; T114-E131 HydrophobicContact CG2-CB 4.37Å; V115-E131 WeakPolarHBondContact O-CA 3.36Å; F116-E131 HydrophobicContact CD2-CG 4.1Å; N129-E131 PolarHBondContact O-N 3.1Å |
| 132 | I | 87.1 | Confident | 72.6 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 155.3 | 174.7 | 62.7 | 162.5 | 0 | 0 | 0 | 111.1 | L53 I55 T114 V115 I117 M127 I134 L164 Y176 | L53-I132 HydrophobicContact CD2-CD1 4.1Å; I55-I132 HydrophobicContact CD1-CD1 3.38Å; I55-I132 HydrophobicContact CD1-CG1 3.96Å; I55-I132 HydrophobicContact CG1-CD1 4.31Å; T114-I132 WeakPolarHBondContact CA-O 3.4Å; V115-I132 HydrophobicContact CB-CG1 4.24Å; V115-I132 PolarHBondContact N-O 3.03Å; V115-I132 PolarHBondContact O-N 2.79Å; I117-I132 HydrophobicContact CD1-CG1 4.43Å; I117-I132 HydrophobicContact CD1-CG2 3.66Å; I117-I132 HydrophobicContact CG1-CG1 4.4Å; I117-I132 HydrophobicContact CG1-CG2 4.47Å; M127-I132 HydrophobicContact CE-CG2 3.64Å; M127-I132 HydrophobicContact SD-CG2 4.28Å; I132-I134 HydrophobicContact CD1-CD1 4.06Å; I132-I134 HydrophobicContact CD1-CG1 3.87Å; I132-I134 HydrophobicContact CG1-CG1 4.26Å; I132-L164 HydrophobicContact CD1-CD1 3.33Å; I132-Y176 HydrophobicContact CB-CD2 4.5Å; I132-Y176 HydrophobicContact CD1-CD2 4.45Å |
| 133 | I | 84.8 | Confident | 70.8 | Confident | 69 Ų | 69 | 62.7 Ų | 62.7 | 35% | 0.354 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 124.1 | 175.4 | -57.4 | 175.1 | 0 | 0 | 0 | 107.7 | N112 I113 N174 Y175 Y176 | N112-I133 HydrophobicContact CB-CG2 3.8Å; I113-I133 CarbonylContact O-C 3.51Å; I113-I133 WeakPolarHBondContact O-CA 3.43Å; I133-N174 PolarHBondContact N-O 3.06Å; I133-Y175 HydrophobicContact CB-CD2 4.04Å; I133-Y175 HydrophobicContact CG2-CD2 3.66Å; I133-Y175 HydrophobicContact CG2-CE2 3.84Å; I133-Y175 WeakPolarHBondContact O-CA 3.02Å; I133-Y176 PolarHBondContact O-N 2.69Å |
| 134 | I | 84.7 | Confident | 68.8 | Low | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 131.2 | 178.4 | -55.4 | 167.6 | 0 | 0 | 0 | 108.3 | N112 I113 V115 I132 V137 F162 L164 Y176 P178 | N112-I134 CarbonylContact C-O 3.54Å; N112-I134 WeakPolarHBondContact CA-O 3.04Å; I113-I134 HydrophobicContact CD1-CB 4.11Å; I113-I134 HydrophobicContact CD1-CD1 4.34Å; I113-I134 HydrophobicContact CD1-CG2 4.42Å; I113-I134 HydrophobicContact CG1-CB 3.73Å; I113-I134 HydrophobicContact CG1-CG2 4.4Å; I113-I134 WeakPolarHBondContact CG1-O 3.37Å; I113-I134 PolarHBondContact N-O 3.42Å; I113-I134 PolarHBondContact O-N 2.84Å; V115-I134 HydrophobicContact CB-CD1 4.16Å; V115-I134 HydrophobicContact CG2-CD1 3.58Å; V115-I134 HydrophobicContact CG2-CG1 4.43Å; I132-I134 HydrophobicContact CD1-CD1 4.06Å; I132-I134 HydrophobicContact CD1-CG1 3.87Å; I132-I134 HydrophobicContact CG1-CG1 4.26Å; I134-V137 HydrophobicContact CG2-CG2 4.19Å; I134-F162 HydrophobicContact CD1-CB 4.08Å; I134-F162 HydrophobicContact CD1-CD1 3.55Å; I134-F162 HydrophobicContact CD1-CD2 4.13Å; I134-F162 HydrophobicContact CD1-CE1 3.93Å; I134-F162 HydrophobicContact CD1-CE2 4.48Å; I134-F162 HydrophobicContact CD1-CG 3.65Å; I134-F162 HydrophobicContact CD1-CZ 4.39Å; I134-L164 HydrophobicContact CB-CD2 4.42Å; I134-L164 HydrophobicContact CD1-CD1 3.98Å; I134-L164 HydrophobicContact CD1-CD2 3.95Å; I134-L164 HydrophobicContact CG1-CD1 4.02Å; I134-L164 HydrophobicContact CG1-CD2 3.92Å; I134-L164 HydrophobicContact CG2-CD2 3.68Å; I134-Y176 WeakPolarHBondContact CA-O 3.39Å; I134-P178 HydrophobicContact CG2-CB 3.95Å; I134-P178 HydrophobicContact CG2-CG 4.04Å |
| 135 | G | 79.1 | Confident | 67.2 | Low | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.3 | 174.9 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | N112 Y175 Y176 H177 | N112-G135 WeakPolarHBondContact OD1-CA 3.4Å; G135-Y175 WeakPolarHBondContact CA-OH 3.47Å; G135-Y175 PolarHBondContact O-OH 3.47Å; G135-Y176 PolarHBondContact N-O 3.06Å; G135-H177 WeakPolarHBondContact O-CA 3.16Å; G135-H177 PolarHBondContact O-ND1 2.75Å |
| 136 | P | 69.2 | Low | 65.7 | Low | 56 Ų | 56 | 72.4 Ų | 72.4 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -70.3 | 141.3 | -9 | 30.3 | -33.5 | 0 | 0 | 0 | 111.1 | Y110 | Y110-P136 HydrophobicContact CD1-CB 4.05Å; Y110-P136 HydrophobicContact CG-CB 4.4Å |
| 137 | V | 70.5 | Confident | 64.7 | Low | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.012 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 140.7 | 176.8 | 160.7 | 0 | 0 | 0 | 0 | 107.2 | Y110 F111 I113 I134 G149 L151 P178 | Y110-V137 CarbonylContact C-O 3.58Å; Y110-V137 VanDerWaalsContact CA-O 3.31Å; Y110-V137 WeakPolarHBondContact CA-O 3.46Å; F111-V137 WeakPolarHBondContact CD1-O 3.37Å; F111-V137 HydrophobicContact CD2-CG1 4.45Å; F111-V137 HydrophobicContact CE1-CG1 4.4Å; F111-V137 HydrophobicContact CE2-CB 4.43Å; F111-V137 HydrophobicContact CE2-CG1 3.8Å; F111-V137 HydrophobicContact CZ-CG1 3.77Å; F111-V137 PolarHBondContact N-O 2.9Å; F111-V137 PolarHBondContact O-N 3.23Å; I113-V137 HydrophobicContact CD1-CG2 4.11Å; I113-V137 HydrophobicContact CG1-CG2 4.22Å; I113-V137 HydrophobicContact CG2-CG1 4.31Å; I134-V137 HydrophobicContact CG2-CG2 4.19Å; V137-G149 VanDerWaalsContact CG1-O 3.27Å; V137-G149 WeakPolarHBondContact CG1-O 3.09Å; V137-L151 HydrophobicContact CG1-CD1 3.16Å; V137-L151 HydrophobicContact CG1-CG 3.62Å; V137-P178 HydrophobicContact CG2-CG 4.01Å |
| 138 | F | 63.6 | Low | 63.7 | Low | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.009 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 148.5 | -179.5 | 71.1 | -76.9 | 0 | 0 | 0 | 112.1 | N108 M109 Y110 R145 G147 C150 L151 | N108-F138 WeakPolarHBondContact OD1-CD2 3.4Å; M109-F138 VanDerWaalsContact O-CA 3.31Å; M109-F138 WeakPolarHBondContact O-CA 3.05Å; M109-F138 WeakPolarHBondContact O-CB 3.27Å; Y110-F138 HydrophobicContact CD1-CB 3.69Å; Y110-F138 HydrophobicContact CD1-CD1 4.48Å; Y110-F138 HydrophobicContact CD1-CG 4.43Å; Y110-F138 HydrophobicContact CE1-CB 3.85Å; Y110-F138 HydrophobicContact CE1-CD1 4.08Å; Y110-F138 HydrophobicContact CE1-CG 4.14Å; Y110-F138 HydrophobicContact CG-CB 4.38Å; F138-R145 HydrophobicContact CE2-CB 3.96Å; F138-R145 HydrophobicContact CZ-CB 4.46Å; F138-G147 VanDerWaalsContact CE1-C 3.44Å; F138-G147 VanDerWaalsContact CE1-CA 3.45Å; F138-G147 WeakPolarHBondContact CE1-O 3.07Å; F138-C150 HydrophobicContact CE1-CB 3.88Å; F138-C150 HydrophobicContact CE2-CB 4.25Å; F138-C150 HydrophobicContact CZ-CB 3.61Å; F138-L151 PolarHBondContact O-N 3.36Å |
| 139 | I | 57.2 | Low | 63 | Low | 73 Ų | 73 | 62.8 Ų | 62.8 | 37% | 0.374 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 117.4 | 166.2 | -69.8 | 157.1 | 0 | 0 | 0 | 106.1 | F111 N141 | F111-I139 HydrophobicContact CE1-CB 4.17Å; F111-I139 HydrophobicContact CE1-CD1 3.47Å; F111-I139 VanDerWaalsContact CE1-CD1 3.47Å; F111-I139 HydrophobicContact CE1-CG1 3.52Å; F111-I139 HydrophobicContact CZ-CD1 3.44Å; F111-I139 VanDerWaalsContact CZ-CD1 3.44Å; F111-I139 HydrophobicContact CZ-CG1 3.56Å; I139-N141 PolarHBondContact O-N 2.93Å |
| 140 | S | 52.2 | Low | 62.2 | Low | 12 Ų | 12 | 59.1 Ų | 59.1 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | trans | -68.2 | 127.2 | 176.6 | -168.9 | 0 | 0 | 0 | 0 | 110 | Y34 S142 R145 | Y34-S140 WeakPolarHBondContact CD1-O 3.37Å; S140-S142 PolarHBondContact OG-N 3.3Å; S140-S142 PolarHBondContact OG-O 2.04Å; S140-R145 WeakPolarHBondContact OG-CD 3.4Å | ||
| 141 | N | 51 | Low | 60.9 | Low | 98 Ų | 98 | 54.4 Ų | 54.4 | 52% | 0.524 | 29% | 0.288 | S | S | . | . | trans | -103 | 2.7 | 169.7 | -143.1 | 26 | 0 | 0 | 0 | 112.2 | Y34 I139 | Y34-N141 VanDerWaalsContact CE1-C 3.4Å; I139-N141 PolarHBondContact O-N 2.93Å | ||
| 142 | S | 45.9 | Very low | 59.5 | Low | 43 Ų | 43 | 55.1 Ų | 55.1 | 30% | 0.301 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -142.9 | 159 | -173.1 | 69.9 | 0 | 0 | 0 | 0 | 113.7 | S140 Y144 R145 | S140-S142 PolarHBondContact OG-N 3.3Å; S140-S142 PolarHBondContact OG-O 2.04Å; S142-Y144 PolarHBondContact O-N 3.42Å; S142-Y144 VanDerWaalsContact O-N 3.12Å; S142-R145 PolarHBondContact OG-NE 3.02Å; S142-R145 PolarHBondContact OG-NH2 3.4Å |
| 143 | N | 47.2 | Very low | 57.9 | Low | 153 Ų | 153 | 58.7 Ų | 58.7 | 82% | 0.818 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -67.6 | -4.2 | -177.2 | -67.7 | -12.4 | 0 | 0 | 0 | 115.3 | ||
| 144 | Y | 39.6 | Very low | 56.7 | Low | 209 Ų | 209 | 57.1 Ų | 57.1 | 82% | 0.82 | 31% | 0.305 | S | S | * | . | trans | -128.8 | 85.8 | -170.4 | -76.1 | -78.7 | 0 | 0 | 0 | 111.1 | S142 | S142-Y144 PolarHBondContact O-N 3.42Å; S142-Y144 VanDerWaalsContact O-N 3.12Å | ||
| 145 | R | 48.8 | Very low | 55.5 | Low | 55 Ų | 55 | 63.7 Ų | 63.7 | 21% | 0.208 | 33% | 0.331 | C | S | . | . | trans | -145.7 | 118.2 | 173.5 | -65.8 | -165.8 | -169.6 | -84.8 | 10.9 | 115.9 | D107 N108 F138 S140 S142 | D107-R145 PolarHBondContact O-NH2 3.1Å; N108-R145 VanDerWaalsContact CB-NH1 3.3Å; N108-R145 VanDerWaalsContact CG-NE 3.34Å; N108-R145 WeakPolarHBondContact ND2-CD 3.32Å; N108-R145 PolarHBondContact ND2-NH1 2.8Å; N108-R145 WeakPolarHBondContact OD1-CD 3.38Å; N108-R145 PolarHBondContact OD1-NE 2.85Å; N108-R145 PolarHBondContact OD1-NH1 3.23Å; F138-R145 HydrophobicContact CE2-CB 3.96Å; F138-R145 HydrophobicContact CZ-CB 4.46Å; S140-R145 WeakPolarHBondContact OG-CD 3.4Å; S142-R145 PolarHBondContact OG-NE 3.02Å; S142-R145 PolarHBondContact OG-NH2 3.4Å | ||
| 146 | N | 42.8 | Very low | 54.4 | Low | 150 Ų | 150 | 67.7 Ų | 67.7 | 80% | 0.802 | 36% | 0.359 | S | S | * | . | trans | -85.5 | 121.4 | 155 | -68.4 | -25.3 | 0 | 0 | 0 | 108.1 | ||||
| 147 | G | 47.6 | Very low | 54.1 | Low | 32 Ų | 32 | 70.7 Ų | 70.7 | 33% | 0.33 | 37% | 0.371 | S | S | . | . | trans | -172.5 | 135.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F138 | F138-G147 VanDerWaalsContact CE1-C 3.44Å; F138-G147 VanDerWaalsContact CE1-CA 3.45Å; F138-G147 WeakPolarHBondContact CE1-O 3.07Å | ||
| 148 | T | 51.6 | Low | 54.2 | Low | 90 Ų | 90 | 71.4 Ų | 71.4 | 55% | 0.552 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 141.5 | 171.1 | 46.3 | 0 | 0 | 0 | 0 | 109.8 | L179 | T148-L179 WeakPolarHBondContact CG2-O 3.5Š|
| 149 | G | 52.9 | Low | 55.2 | Low | 2 Ų | 2 | 73.6 Ų | 73.6 | 2% | 0.021 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | 22.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | V137 S180 | V137-G149 VanDerWaalsContact CG1-O 3.27Å; V137-G149 WeakPolarHBondContact CG1-O 3.09Å; G149-S180 VanDerWaalsContact CA-O 3.24Å; G149-S180 WeakPolarHBondContact CA-O 3.42Å; G149-S180 PolarHBondContact N-O 3.27Å; G149-S180 VanDerWaalsContact N-O 3.12Å |
| 150 | C | 59.9 | Low | 56.6 | Low | 11 Ų | 11 | 70.7 Ų | 70.7 | 7% | 0.074 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -64.1 | 147.8 | 175.3 | -174 | 0 | 0 | 0 | 0 | 112 | C36 F138 E181 | C36-C150 HydrophobicContact CB-CB 3.61Å; C36-C150 WeakPolarHBondContact CB-SG 3.42Å; C36-C150 WeakPolarHBondContact SG-CB 3.48Å; C36-C150 CovalentContact SG-SG 2.02Å; C36-C150 PolarHBondContact SG-SG 3.22Å; F138-C150 HydrophobicContact CE1-CB 3.88Å; F138-C150 HydrophobicContact CE2-CB 4.25Å; F138-C150 HydrophobicContact CZ-CB 3.61Å; C150-E181 WeakPolarHBondContact O-CB 3.35Å |
| 151 | L | 58 | Low | 58.4 | Low | 14 Ų | 14 | 70.1 Ų | 70.1 | 7% | 0.073 | 37% | 0.368 | C | S | . | . | trans | -128.1 | 109.5 | 177.2 | -67.3 | 169.2 | 0 | 0 | 0 | 110.2 | C36 F111 I113 V137 F138 F154 A182 | C36-L151 PolarHBondContact SG-N 3.14Å; F111-L151 HydrophobicContact CE2-CD1 3.96Å; F111-L151 HydrophobicContact CZ-CD1 3.76Å; I113-L151 HydrophobicContact CG2-CD1 4.31Å; V137-L151 HydrophobicContact CG1-CD1 3.16Å; V137-L151 HydrophobicContact CG1-CG 3.62Å; F138-L151 PolarHBondContact O-N 3.36Å; L151-F154 HydrophobicContact CB-CZ 4.25Å; L151-F154 HydrophobicContact CD1-CE1 4.23Å; L151-F154 HydrophobicContact CD1-CE2 3.64Å; L151-F154 HydrophobicContact CD1-CZ 3.25Å; L151-F154 HydrophobicContact CD2-CE1 3.64Å; L151-F154 HydrophobicContact CD2-CZ 3.52Å; L151-F154 HydrophobicContact CG-CE1 4.4Å; L151-F154 HydrophobicContact CG-CE2 4.47Å; L151-F154 HydrophobicContact CG-CZ 3.86Å; L151-A182 HydrophobicContact CD2-CB 3.5Å | ||
| 152 | T | 55.5 | Low | 60.2 | Low | 84 Ų | 84 | 65.8 Ų | 65.8 | 52% | 0.515 | 34% | 0.344 | S | S | . | . | trans | -76.2 | -52.2 | -175.6 | 47.8 | 0 | 0 | 0 | 0 | 113.7 | Y34 C36 | Y34-T152 VanDerWaalsContact O-CG2 3.28Å; Y34-T152 WeakPolarHBondContact O-CG2 3.26Å; C36-T152 HydrophobicContact CB-CG2 3.48Å; C36-T152 VanDerWaalsContact CB-CG2 3.48Å; C36-T152 WeakPolarHBondContact SG-CG2 3.36Å | ||
| 153 | E | 53.5 | Low | 62.3 | Low | 77 Ų | 77 | 63.8 Ų | 63.8 | 36% | 0.36 | 33% | 0.33 | S | S | . | . | trans | -158.8 | 137.5 | -176.7 | -159.9 | 165.1 | 174.8 | 0 | 0 | 109.4 | K31 | K31-E153 IonicContact NZ-OE1 3.55Š| ||
| 154 | F | 58.9 | Low | 64.3 | Low | 35 Ų | 35 | 56.5 Ų | 56.5 | 15% | 0.154 | 29% | 0.291 | C | S | . | . | trans | -106 | 126.4 | 176.3 | -75.5 | -51.6 | 0 | 0 | 0 | 112.4 | L59 L151 Y160 | L59-F154 HydrophobicContact CD1-CD1 3.38Å; L59-F154 HydrophobicContact CD1-CE1 2.99Å; L59-F154 HydrophobicContact CD1-CE2 4.48Å; L59-F154 HydrophobicContact CD1-CG 4.31Å; L59-F154 HydrophobicContact CD1-CZ 3.57Å; L59-F154 HydrophobicContact CD2-CE1 4.05Å; L59-F154 HydrophobicContact CD2-CZ 3.82Å; L59-F154 HydrophobicContact CG-CE1 4.11Å; L59-F154 HydrophobicContact CG-CZ 4.3Å; L151-F154 HydrophobicContact CB-CZ 4.25Å; L151-F154 HydrophobicContact CD1-CE1 4.23Å; L151-F154 HydrophobicContact CD1-CE2 3.64Å; L151-F154 HydrophobicContact CD1-CZ 3.25Å; L151-F154 HydrophobicContact CD2-CE1 3.64Å; L151-F154 HydrophobicContact CD2-CZ 3.52Å; L151-F154 HydrophobicContact CG-CE1 4.4Å; L151-F154 HydrophobicContact CG-CE2 4.47Å; L151-F154 HydrophobicContact CG-CZ 3.86Å; F154-Y160 HydrophobicContact CD1-CE2 4.1Å; F154-Y160 AromaticContact CD1-CZ 3.9Å; F154-Y160 HydrophobicContact CE1-CE2 4.45Å | ||
| 155 | Y | 60.2 | Low | 66.6 | Low | 140 Ų | 140 | 51.9 Ų | 51.9 | 55% | 0.549 | 28% | 0.275 | S | S | . | . | trans | -88.9 | 131.7 | 155.6 | -57.7 | -70.7 | 0 | 0 | 0 | 110.2 | A158 Y160 | Y155-A158 WeakPolarHBondContact O-CB 3.45Å; Y155-A158 PolarHBondContact O-N 2.03Å; Y155-Y160 PolarHBondContact N-OH 2.82Å | ||
| 156 | S | 57.1 | Low | 68.3 | Low | 84 Ų | 84 | 51.9 Ų | 51.9 | 59% | 0.587 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 139.8 | 173.7 | 54.2 | 0 | 0 | 0 | 0 | 110.1 | Y61 A158 | Y61-S156 VanDerWaalsContact OH-CA 3.24Å; Y61-S156 WeakPolarHBondContact OH-CA 2.98Å; Y61-S156 PolarHBondContact OH-N 2.85Å; S156-A158 PolarHBondContact O-N 3.41Å; S156-A158 VanDerWaalsContact O-N 3.16Å |
| 157 | N | 62.5 | Low | 70 | Confident | 118 Ų | 118 | 46.1 Ų | 46.1 | 63% | 0.631 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 5.4 | -177.4 | -55 | -43.6 | 0 | 0 | 0 | 116.8 | R58 | R58-N157 PolarHBondContact NE-O 2.88Å; R58-N157 VanDerWaalsContact NE-O 3.12Å |
| 158 | A | 73.1 | Confident | 71.1 | Confident | 18 Ų | 18 | 51 Ų | 51 | 15% | 0.149 | 27% | 0.265 | C | S | . | . | trans | -66.4 | 146.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y155 S156 Y160 | Y155-A158 WeakPolarHBondContact O-CB 3.45Å; Y155-A158 PolarHBondContact O-N 2.03Å; S156-A158 PolarHBondContact O-N 3.41Å; S156-A158 VanDerWaalsContact O-N 3.16Å; A158-Y160 HydrophobicContact CB-CD2 4.41Å; A158-Y160 HydrophobicContact CB-CE2 3.57Å | ||
| 159 | K | 84.4 | Confident | 71.9 | Confident | 48 Ų | 48 | 53.7 Ų | 53.7 | 21% | 0.209 | 28% | 0.275 | C | S | . | . | trans | -92.9 | 128.3 | 176.3 | -174.2 | 179.6 | 173.1 | -171 | 0 | 107.1 | A56 G57 Y185 | A56-K159 HydrophobicContact CB-CD 4.28Å; A56-K159 HydrophobicContact CB-CG 4.1Å; G57-K159 WeakPolarHBondContact O-CA 3.38Å; K159-Y185 HydrophobicContact CB-CD1 4.47Å; K159-Y185 HydrophobicContact CB-CG 4.21Å; K159-Y185 HydrophobicContact CD-CD1 3.9Å; K159-Y185 HydrophobicContact CD-CD2 3.76Å; K159-Y185 HydrophobicContact CD-CE1 4.22Å; K159-Y185 HydrophobicContact CD-CE2 4.11Å; K159-Y185 HydrophobicContact CD-CG 3.64Å; K159-Y185 HydrophobicContact CG-CD1 4.45Å; K159-Y185 HydrophobicContact CG-CD2 4.23Å; K159-Y185 HydrophobicContact CG-CG 3.91Å; K159-Y185 WeakPolarHBondContact O-CB 3.4Å; K159-Y185 PolarHBondContact O-N 3.15Å | ||
| 160 | Y | 86.8 | Confident | 72.2 | Confident | 12 Ų | 12 | 57.5 Ų | 57.5 | 5% | 0.047 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 150.9 | 177.8 | -62.4 | -90 | 0 | 0 | 0 | 110 | A56 G57 L59 F154 Y155 A158 A182 I183 | A56-Y160 CarbonylContact C-O 3.56Å; A56-Y160 WeakPolarHBondContact CA-O 3.36Å; G57-Y160 PolarHBondContact N-O 2.95Å; G57-Y160 PolarHBondContact O-N 3.39Å; L59-Y160 HydrophobicContact CD1-CD2 3.74Å; L59-Y160 HydrophobicContact CD1-CE2 3.65Å; F154-Y160 HydrophobicContact CD1-CE2 4.1Å; F154-Y160 AromaticContact CD1-CZ 3.9Å; F154-Y160 HydrophobicContact CE1-CE2 4.45Å; Y155-Y160 PolarHBondContact N-OH 2.82Å; A158-Y160 HydrophobicContact CB-CD2 4.41Å; A158-Y160 HydrophobicContact CB-CE2 3.57Å; Y160-A182 HydrophobicContact CD1-CB 4.38Å; Y160-I183 CarbonylContact C-O 3.58Å; Y160-I183 VanDerWaalsContact CA-O 3.28Å; Y160-I183 WeakPolarHBondContact CA-O 3.04Å |
| 161 | I | 89.1 | Confident | 72.2 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 132.6 | 174.4 | -62.1 | 174.3 | 0 | 0 | 0 | 108.6 | I54 I55 A56 Y121 F163 I183 Y185 I189 I193 | I54-I161 HydrophobicContact CG2-CG2 4.4Å; I55-I161 WeakPolarHBondContact O-CA 3.4Å; A56-I161 HydrophobicContact CB-CG1 4.22Å; Y121-I161 HydrophobicContact CE2-CG1 4.46Å; I161-F163 HydrophobicContact CG2-CE2 3.91Å; I161-F163 HydrophobicContact CG2-CZ 4.09Å; I161-I183 PolarHBondContact N-O 2.03Å; I161-I183 PolarHBondContact O-N 2.93Å; I161-I183 VanDerWaalsContact O-N 3.15Å; I161-Y185 HydrophobicContact CD1-CD2 4.06Å; I161-Y185 HydrophobicContact CG1-CD2 4.24Å; I161-I189 HydrophobicContact CD1-CB 3.95Å; I161-I189 HydrophobicContact CD1-CG2 3.48Å; I161-I189 VanDerWaalsContact CD1-CG2 3.48Å; I161-I193 HydrophobicContact CD1-CD1 4.14Å; I161-I193 HydrophobicContact CG2-CD1 3.78Å |
| 162 | F | 89.2 | Confident | 72.4 | Confident | 6 Ų | 6 | 66.3 Ų | 66.3 | 3% | 0.026 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 128.7 | -179.6 | -58.9 | -88.8 | 0 | 0 | 0 | 110.4 | I54 I55 L59 I113 V115 I134 L164 A182 | I54-F162 WeakPolarHBondContact CA-O 3.28Å; I55-F162 HydrophobicContact CD1-CD2 4.22Å; I55-F162 HydrophobicContact CG1-CB 4.02Å; I55-F162 HydrophobicContact CG1-CD2 4.16Å; I55-F162 PolarHBondContact N-O 2.86Å; I55-F162 PolarHBondContact O-N 3.04Å; L59-F162 HydrophobicContact CD2-CZ 4.4Å; I113-F162 HydrophobicContact CD1-CE1 3.88Å; I113-F162 HydrophobicContact CD1-CZ 4.37Å; V115-F162 HydrophobicContact CB-CE2 4.47Å; V115-F162 HydrophobicContact CG1-CD2 4.23Å; V115-F162 HydrophobicContact CG1-CE2 3.77Å; V115-F162 HydrophobicContact CG1-CZ 4.49Å; V115-F162 HydrophobicContact CG2-CE1 4.38Å; V115-F162 HydrophobicContact CG2-CE2 3.86Å; V115-F162 HydrophobicContact CG2-CZ 3.78Å; I134-F162 HydrophobicContact CD1-CB 4.08Å; I134-F162 HydrophobicContact CD1-CD1 3.55Å; I134-F162 HydrophobicContact CD1-CD2 4.13Å; I134-F162 HydrophobicContact CD1-CE1 3.93Å; I134-F162 HydrophobicContact CD1-CE2 4.48Å; I134-F162 HydrophobicContact CD1-CG 3.65Å; I134-F162 HydrophobicContact CD1-CZ 4.39Å; F162-L164 HydrophobicContact CB-CD1 4.12Å; F162-L164 HydrophobicContact CB-CD2 4Å; F162-L164 HydrophobicContact CB-CG 3.9Å; F162-A182 HydrophobicContact CD1-CB 4.09Å; F162-A182 HydrophobicContact CE1-CB 3.51Å; F162-A182 HydrophobicContact CZ-CB 4.14Å |
| 163 | F | 89.3 | Confident | 72.9 | Confident | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.009 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 113.2 | 171 | -65.5 | -82.1 | 0 | 0 | 0 | 108.2 | I44 L47 I48 S51 I54 I161 L179 I183 I193 | I44-F163 HydrophobicContact CG2-CZ 4.41Å; L47-F163 HydrophobicContact CB-CB 4.39Å; L47-F163 HydrophobicContact CB-CD1 4.01Å; L47-F163 HydrophobicContact CB-CE1 4.47Å; L47-F163 HydrophobicContact CB-CG 4.05Å; L47-F163 HydrophobicContact CD1-CD2 4.07Å; L47-F163 HydrophobicContact CD1-CE2 4.45Å; L47-F163 HydrophobicContact CD1-CG 4.31Å; I48-F163 HydrophobicContact CG1-CD1 4.46Å; I48-F163 HydrophobicContact CG1-CE1 3.66Å; I48-F163 HydrophobicContact CG1-CZ 4.44Å; S51-F163 WeakPolarHBondContact OG-CB 3.32Å; I54-F163 HydrophobicContact CD1-CD1 4.02Å; I54-F163 HydrophobicContact CD1-CE1 4.04Å; I54-F163 HydrophobicContact CG1-CD1 3.98Å; I54-F163 HydrophobicContact CG1-CE1 4.36Å; I54-F163 HydrophobicContact CG2-CD1 3.97Å; I54-F163 HydrophobicContact CG2-CE1 3.84Å; I161-F163 HydrophobicContact CG2-CE2 3.91Å; I161-F163 HydrophobicContact CG2-CZ 4.09Å; F163-L179 HydrophobicContact CB-CB 4.35Å; F163-L179 PolarHBondContact O-N 2.81Å; F163-I183 HydrophobicContact CD2-CD1 4.24Å; F163-I183 HydrophobicContact CE2-CD1 3.69Å; F163-I183 HydrophobicContact CE2-CG1 4.5Å; F163-I193 HydrophobicContact CE1-CD1 4.32Å; F163-I193 HydrophobicContact CE1-CG1 4.4Å; F163-I193 HydrophobicContact CZ-CD1 3.95Å; F163-I193 HydrophobicContact CZ-CG1 4.25Å |
| 164 | L | 89.7 | Confident | 74.1 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 141.3 | -163.6 | -61.6 | 177.9 | 0 | 0 | 0 | 112 | S51 D52 L53 I55 I132 I134 F162 Y176 H177 P178 | S51-L164 CarbonylContact C-O 3.58Å; S51-L164 WeakPolarHBondContact CA-O 3.08Å; D52-L164 PolarHBondContact N-O 3.41Å; L53-L164 HydrophobicContact CB-CB 4.05Å; L53-L164 HydrophobicContact CD2-CD1 4Å; L53-L164 HydrophobicContact CG-CB 4.41Å; L53-L164 HydrophobicContact CG-CD1 4.14Å; L53-L164 PolarHBondContact N-O 2.89Å; L53-L164 WeakPolarHBondContact O-CA 3.47Å; L53-L164 VanDerWaalsContact O-CB 3.3Å; L53-L164 WeakPolarHBondContact O-CB 3.35Å; L53-L164 PolarHBondContact O-N 3.24Å; I55-L164 HydrophobicContact CD1-CD1 4.38Å; I55-L164 HydrophobicContact CG1-CD1 4.19Å; I132-L164 HydrophobicContact CD1-CD1 3.33Å; I134-L164 HydrophobicContact CB-CD2 4.42Å; I134-L164 HydrophobicContact CD1-CD1 3.98Å; I134-L164 HydrophobicContact CD1-CD2 3.95Å; I134-L164 HydrophobicContact CG1-CD1 4.02Å; I134-L164 HydrophobicContact CG1-CD2 3.92Å; I134-L164 HydrophobicContact CG2-CD2 3.68Å; F162-L164 HydrophobicContact CB-CD1 4.12Å; F162-L164 HydrophobicContact CB-CD2 4Å; F162-L164 HydrophobicContact CB-CG 3.9Å; L164-Y176 HydrophobicContact CB-CD1 3.9Å; L164-Y176 HydrophobicContact CB-CG 4.22Å; L164-Y176 HydrophobicContact CD1-CD1 4.5Å; L164-Y176 HydrophobicContact CD1-CG 4.19Å; L164-H177 WeakPolarHBondContact CA-O 3.18Å; L164-P178 HydrophobicContact CD2-CB 4.45Å |
| 165 | K | 87.6 | Confident | 75.3 | Confident | 112 Ų | 112 | 64.4 Ų | 64.4 | 49% | 0.487 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 136.8 | 170.6 | -167.5 | 174.4 | -176.2 | 173.8 | 0 | 109.8 | D52 H177 L179 | D52-K165 VanDerWaalsContact OD2-CG 3.28Å; D52-K165 WeakPolarHBondContact OD2-CG 3.22Å; K165-H177 PolarHBondContact N-O 3.46Å; K165-H177 PolarHBondContact O-N 2.86Å; K165-L179 HydrophobicContact CB-CD1 4.31Å; K165-L179 HydrophobicContact CB-CD2 3.97Å; K165-L179 HydrophobicContact CB-CG 4.09Å; K165-L179 HydrophobicContact CD-CD2 4.28Å |
| 166 | K | 85.2 | Confident | 76.6 | Confident | 54 Ų | 54 | 57.9 Ų | 57.9 | 24% | 0.235 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 136.5 | 178.2 | -173.6 | 169.3 | 179.9 | 170.7 | 0 | 109.7 | D52 H125 N168 Y176 | D52-K166 HydrophobicContact CB-CB 4.33Å; D52-K166 PolarHBondContact OD2-N 3.33Å; H125-K166 HydrophobicContact CB-CD 4.33Å; H125-K166 WeakPolarHBondContact CD2-CD 3.38Å; K166-N168 PolarHBondContact O-N 2.83Å; K166-Y176 HydrophobicContact CB-CD1 4.37Å; K166-Y176 HydrophobicContact CB-CE1 3.97Å; K166-Y176 HydrophobicContact CG-CE1 4.32Å |
| 167 | N | 78.1 | Confident | 77.9 | Confident | 29 Ų | 29 | 56.9 Ų | 56.9 | 16% | 0.155 | 31% | 0.307 | C | S | . | . | trans | -81.5 | 113.2 | 170.2 | -172.6 | 2 | 0 | 0 | 0 | 109.4 | N169 Y175 H177 | N167-N169 VanDerWaalsContact C-N 3.27Å; N167-N169 PolarHBondContact O-N 3.23Å; N167-N169 PolarHBondContact OD1-N 3.4Å; N167-Y175 HydrophobicContact CB-CD1 4.31Å; N167-H177 WeakPolarHBondContact CB-NE2 3.4Å; N167-H177 PolarHBondContact ND2-NE2 2.85Å | ||
| 168 | N | 71.1 | Confident | 79 | Confident | 135 Ų | 135 | 51.8 Ų | 51.8 | 72% | 0.722 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -17.9 | 178 | -70 | -16.4 | 0 | 0 | 0 | 113.1 | K166 | K166-N168 PolarHBondContact O-N 2.83Š|
| 169 | N | 67.4 | Low | 79.5 | Confident | 146 Ų | 146 | 52.7 Ų | 52.7 | 78% | 0.781 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -14.7 | -171.9 | -65.6 | -0.3 | 0 | 0 | 0 | 113.6 | N167 | N167-N169 VanDerWaalsContact C-N 3.27Å; N167-N169 PolarHBondContact O-N 3.23Å; N167-N169 PolarHBondContact OD1-N 3.4Å |
| 170 | N | 59.4 | Low | 79.4 | Confident | 83 Ų | 83 | 50.8 Ų | 50.8 | 44% | 0.444 | 28% | 0.276 | S | S | . | . | trans | -105.1 | 130.8 | -178.2 | -84 | 6.6 | 0 | 0 | 0 | 111.8 | T172 | N170-T172 PolarHBondContact O-N 3.15Å; N170-T172 VanDerWaalsContact O-N 3.1Å | ||
| 171 | S | 59.1 | Low | 78.8 | Confident | 127 Ų | 127 | 52 Ų | 52 | 89% | 0.888 | 28% | 0.282 | S | S | * | . | trans | -67.5 | -1.7 | 172.4 | -48.2 | 0 | 0 | 0 | 0 | 114.1 | V173 | S171-V173 PolarHBondContact O-N 2.97Š| ||
| 172 | T | 62.5 | Low | 78.3 | Confident | 83 Ų | 83 | 52.9 Ų | 52.9 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | trans | -81.7 | 105.9 | 178.4 | 50.3 | 0 | 0 | 0 | 0 | 110.3 | N170 N174 Y175 | N170-T172 PolarHBondContact O-N 3.15Å; N170-T172 VanDerWaalsContact O-N 3.1Å; T172-N174 PolarHBondContact O-N 3.15Å; T172-Y175 PolarHBondContact O-N 3.21Å; T172-Y175 WeakPolarHBondContact OG1-CB 3Å | ||
| 173 | V | 67.3 | Low | 77.9 | Confident | 95 Ų | 95 | 53.7 Ų | 53.7 | 58% | 0.576 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -24.7 | -171.5 | -176.6 | 0 | 0 | 0 | 0 | 114.3 | S171 | S171-V173 PolarHBondContact O-N 2.97Š|
| 174 | N | 78.4 | Confident | 77.5 | Confident | 29 Ų | 29 | 58.8 Ų | 58.8 | 16% | 0.155 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 21 | -170.7 | -57.7 | -17.2 | 0 | 0 | 0 | 115 | M127 N129 I133 T172 | M127-N174 HydrophobicContact CE-CB 4.35Å; M127-N174 PolarHBondContact SD-OD1 2.83Å; M127-N174 VanDerWaalsContact SD-OD1 3.41Å; N129-N174 WeakPolarHBondContact CB-ND2 3.33Å; N129-N174 PolarHBondContact ND2-ND2 2.83Å; I133-N174 PolarHBondContact N-O 3.06Å; T172-N174 PolarHBondContact O-N 3.15Å |
| 175 | Y | 83.9 | Confident | 77.2 | Confident | 32 Ų | 32 | 62.1 Ų | 62.1 | 13% | 0.125 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 128.8 | 179.2 | -169.2 | -93.5 | 0 | 0 | 0 | 112.7 | N112 I133 G135 N167 T172 H177 | N112-Y175 WeakPolarHBondContact OD1-CE2 3.45Å; N112-Y175 PolarHBondContact OD1-OH 3.46Å; I133-Y175 HydrophobicContact CB-CD2 4.04Å; I133-Y175 HydrophobicContact CG2-CD2 3.66Å; I133-Y175 HydrophobicContact CG2-CE2 3.84Å; I133-Y175 WeakPolarHBondContact O-CA 3.02Å; G135-Y175 WeakPolarHBondContact CA-OH 3.47Å; G135-Y175 PolarHBondContact O-OH 3.47Å; N167-Y175 HydrophobicContact CB-CD1 4.31Å; T172-Y175 PolarHBondContact O-N 3.21Å; T172-Y175 WeakPolarHBondContact OG1-CB 3Å; Y175-H177 AromaticContact CE1-CE1 3.72Å |
| 176 | Y | 86.2 | Confident | 77 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.008 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 145.7 | -175.7 | -71.3 | -97 | 0 | 0 | 0 | 112.5 | L53 M127 I132 I133 I134 G135 L164 K166 | L53-Y176 HydrophobicContact CB-CD1 4.02Å; L53-Y176 HydrophobicContact CB-CE1 3.71Å; L53-Y176 HydrophobicContact CD2-CD1 3.87Å; L53-Y176 HydrophobicContact CD2-CD2 4.21Å; L53-Y176 HydrophobicContact CD2-CE1 3.54Å; L53-Y176 HydrophobicContact CD2-CE2 4.01Å; L53-Y176 HydrophobicContact CD2-CG 4.2Å; L53-Y176 HydrophobicContact CG-CE1 4.27Å; M127-Y176 HydrophobicContact CE-CD2 4.15Å; M127-Y176 HydrophobicContact CE-CE2 3.01Å; M127-Y176 WeakPolarHBondContact CE-OH 3.36Å; I132-Y176 HydrophobicContact CB-CD2 4.5Å; I132-Y176 HydrophobicContact CD1-CD2 4.45Å; I133-Y176 PolarHBondContact O-N 2.69Å; I134-Y176 WeakPolarHBondContact CA-O 3.39Å; G135-Y176 PolarHBondContact N-O 3.06Å; L164-Y176 HydrophobicContact CB-CD1 3.9Å; L164-Y176 HydrophobicContact CB-CG 4.22Å; L164-Y176 HydrophobicContact CD1-CD1 4.5Å; L164-Y176 HydrophobicContact CD1-CG 4.19Å; K166-Y176 HydrophobicContact CB-CD1 4.37Å; K166-Y176 HydrophobicContact CB-CE1 3.97Å; K166-Y176 HydrophobicContact CG-CE1 4.32Å |
| 177 | H | 85.4 | Confident | 76.7 | Confident | 63 Ų | 63 | 62 Ų | 62 | 29% | 0.292 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 132 | 171.6 | -68.1 | -60.8 | 0 | 0 | 0 | 111 | G135 L164 K165 N167 Y175 | G135-H177 WeakPolarHBondContact O-CA 3.16Å; G135-H177 PolarHBondContact O-ND1 2.75Å; L164-H177 WeakPolarHBondContact CA-O 3.18Å; K165-H177 PolarHBondContact N-O 3.46Å; K165-H177 PolarHBondContact O-N 2.86Å; N167-H177 WeakPolarHBondContact CB-NE2 3.4Å; N167-H177 PolarHBondContact ND2-NE2 2.85Å; Y175-H177 AromaticContact CE1-CE1 3.72Å |
| 178 | P | 85.3 | Confident | 76.8 | Confident | 11 Ų | 11 | 66.7 Ų | 66.7 | 7% | 0.071 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 129.1 | 172 | 30.6 | -32.7 | 0 | 0 | 0 | 110.9 | I134 V137 L164 | I134-P178 HydrophobicContact CG2-CB 3.95Å; I134-P178 HydrophobicContact CG2-CG 4.04Å; V137-P178 HydrophobicContact CG2-CG 4.01Å; L164-P178 HydrophobicContact CD2-CB 4.45Å |
| 179 | L | 84.1 | Confident | 77.3 | Confident | 37 Ų | 37 | 61 Ų | 61 | 19% | 0.194 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -83.3 | -19.3 | 172.8 | -69.5 | 173.1 | 0 | 0 | 0 | 112.6 | L47 Q50 S51 T148 F163 K165 | L47-L179 HydrophobicContact CD2-CB 3.87Å; Q50-L179 HydrophobicContact CB-CD1 4Å; S51-L179 WeakPolarHBondContact OG-CD1 3.33Å; T148-L179 WeakPolarHBondContact CG2-O 3.5Å; F163-L179 HydrophobicContact CB-CB 4.35Å; F163-L179 PolarHBondContact O-N 2.81Å; K165-L179 HydrophobicContact CB-CD1 4.31Å; K165-L179 HydrophobicContact CB-CD2 3.97Å; K165-L179 HydrophobicContact CB-CG 4.09Å; K165-L179 HydrophobicContact CD-CD2 4.28Å |
| 180 | S | 81.6 | Confident | 78 | Confident | 9 Ų | 9 | 55.4 Ų | 55.4 | 6% | 0.063 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -142.8 | 175.4 | -177.4 | 69.1 | 0 | 0 | 0 | 0 | 110.8 | G149 | G149-S180 VanDerWaalsContact CA-O 3.24Å; G149-S180 WeakPolarHBondContact CA-O 3.42Å; G149-S180 PolarHBondContact N-O 3.27Å; G149-S180 VanDerWaalsContact N-O 3.12Å |
| 181 | E | 75.1 | Confident | 78.9 | Confident | 37 Ų | 37 | 54.5 Ų | 54.5 | 17% | 0.173 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 161.5 | 161.4 | 63.6 | -178.3 | -172.6 | 0 | 0 | 111.8 | C36 L39 C150 I183 | C36-E181 WeakPolarHBondContact CB-OE2 2.98Å; L39-E181 HydrophobicContact CD1-CG 3.63Å; C150-E181 WeakPolarHBondContact O-CB 3.35Å; E181-I183 HydrophobicContact CG-CG1 4.48Å; E181-I183 PolarHBondContact O-N 2.73Å |
| 182 | A | 78.2 | Confident | 79.9 | Confident | 19 Ų | 19 | 50.3 Ų | 50.3 | 16% | 0.157 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -72 | 122 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | L151 Y160 F162 | L151-A182 HydrophobicContact CD2-CB 3.5Å; Y160-A182 HydrophobicContact CD1-CB 4.38Å; F162-A182 HydrophobicContact CD1-CB 4.09Å; F162-A182 HydrophobicContact CE1-CB 3.51Å; F162-A182 HydrophobicContact CZ-CB 4.14Å |
| 183 | I | 81.2 | Confident | 80.8 | Confident | 23 Ų | 23 | 46.4 Ų | 46.4 | 12% | 0.118 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 135.5 | -178.6 | -44.5 | -175.2 | 0 | 0 | 0 | 108.9 | L39 Y160 I161 F163 E181 Y185 I189 | L39-I183 HydrophobicContact CD1-CD1 3.88Å; L39-I183 HydrophobicContact CD1-CG1 4.29Å; Y160-I183 CarbonylContact C-O 3.58Å; Y160-I183 VanDerWaalsContact CA-O 3.28Å; Y160-I183 WeakPolarHBondContact CA-O 3.04Å; I161-I183 PolarHBondContact N-O 2.03Å; I161-I183 PolarHBondContact O-N 2.93Å; I161-I183 VanDerWaalsContact O-N 3.15Å; F163-I183 HydrophobicContact CD2-CD1 4.24Å; F163-I183 HydrophobicContact CE2-CD1 3.69Å; F163-I183 HydrophobicContact CE2-CG1 4.5Å; E181-I183 HydrophobicContact CG-CG1 4.48Å; E181-I183 PolarHBondContact O-N 2.73Å; I183-Y185 PolarHBondContact O-N 2.8Å; I183-I189 HydrophobicContact CB-CD1 4.48Å; I183-I189 HydrophobicContact CG2-CD1 3.4Å |
| 184 | E | 80.7 | Confident | 81.2 | Confident | 109 Ų | 109 | 44 Ų | 44 | 51% | 0.509 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 136.9 | 172.2 | -171.5 | 173.1 | -168.2 | 0 | 0 | 110.3 | T186 | E184-T186 PolarHBondContact O-N 3.45Å |
| 185 | Y | 84.3 | Confident | 80.9 | Confident | 70 Ų | 70 | 45.3 Ų | 45.3 | 28% | 0.275 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -64.3 | 121.6 | 175.2 | 170.2 | -94.2 | 0 | 0 | 0 | 110 | K159 I161 I183 E190 | K159-Y185 HydrophobicContact CB-CD1 4.47Å; K159-Y185 HydrophobicContact CB-CG 4.21Å; K159-Y185 HydrophobicContact CD-CD1 3.9Å; K159-Y185 HydrophobicContact CD-CD2 3.76Å; K159-Y185 HydrophobicContact CD-CE1 4.22Å; K159-Y185 HydrophobicContact CD-CE2 4.11Å; K159-Y185 HydrophobicContact CD-CG 3.64Å; K159-Y185 HydrophobicContact CG-CD1 4.45Å; K159-Y185 HydrophobicContact CG-CD2 4.23Å; K159-Y185 HydrophobicContact CG-CG 3.91Å; K159-Y185 WeakPolarHBondContact O-CB 3.4Å; K159-Y185 PolarHBondContact O-N 3.15Å; I161-Y185 HydrophobicContact CD1-CD2 4.06Å; I161-Y185 HydrophobicContact CG1-CD2 4.24Å; I183-Y185 PolarHBondContact O-N 2.8Å; Y185-E190 HydrophobicContact CE2-CB 3.99Å; Y185-E190 HydrophobicContact CE2-CG 4.37Å; Y185-E190 VanDerWaalsContact CE2-OE2 3.24Å; Y185-E190 WeakPolarHBondContact CE2-OE2 3.49Å; Y185-E190 PolarHBondContact OH-OE2 2.74Å |
| 186 | T | 82.6 | Confident | 80.3 | Confident | 56 Ų | 56 | 47.4 Ų | 47.4 | 34% | 0.344 | 24% | 0.24 | S | C | . | . | trans | -127.6 | 151.5 | 166 | 63.3 | 0 | 0 | 0 | 0 | 108.8 | E184 Y188 I189 E190 | E184-T186 PolarHBondContact O-N 3.45Å; T186-Y188 PolarHBondContact O-N 2.81Å; T186-I189 PolarHBondContact O-N 3.44Å; T186-I189 WeakPolarHBondContact OG1-CD1 3.04Å; T186-I189 VanDerWaalsContact OG1-CG1 3.27Å; T186-I189 WeakPolarHBondContact OG1-CG1 3.45Å; T186-I189 PolarHBondContact OG1-N 3.32Å; T186-E190 PolarHBondContact O-N 2.77Å; T186-E190 VanDerWaalsContact O-N 3.15Å | ||
| 187 | E | 78.5 | Confident | 79.4 | Confident | 108 Ų | 108 | 49.6 Ų | 49.6 | 51% | 0.505 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58 | -34.1 | 175.5 | -164.9 | -170.9 | 153.5 | 0 | 0 | 111.7 | K191 | E187-K191 HydrophobicContact CG-CD 4.3Å; E187-K191 WeakPolarHBondContact O-CB 3.33Å; E187-K191 VanDerWaalsContact O-CG 3.31Å; E187-K191 WeakPolarHBondContact O-CG 3.18Å; E187-K191 PolarHBondContact O-N 3.44Å; E187-K191 VanDerWaalsContact OE1-CE 3.28Å; E187-K191 WeakPolarHBondContact OE1-CE 3.07Å; E187-K191 IonicContact OE1-NZ 3.04Å; E187-K191 PolarHBondContact OE1-NZ 2.91Å |
| 188 | Y | 80.2 | Confident | 78.7 | Confident | 126 Ų | 126 | 48.9 Ų | 48.9 | 49% | 0.494 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.2 | -46.2 | 175.9 | 172 | -98.6 | 0 | 0 | 0 | 113.1 | T186 K191 K192 | T186-Y188 PolarHBondContact O-N 2.81Å; Y188-K191 PolarHBondContact O-N 2.86Å; Y188-K192 PolarHBondContact O-N 3.41Å |
| 189 | I | 81.4 | Confident | 77.8 | Confident | 15 Ų | 15 | 56.4 Ų | 56.4 | 8% | 0.077 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.3 | -41.7 | -179.8 | -64.5 | 165.1 | 0 | 0 | 0 | 110.1 | I161 I183 T186 K191 K192 I193 | I161-I189 HydrophobicContact CD1-CB 3.95Å; I161-I189 HydrophobicContact CD1-CG2 3.48Å; I161-I189 VanDerWaalsContact CD1-CG2 3.48Å; I183-I189 HydrophobicContact CB-CD1 4.48Å; I183-I189 HydrophobicContact CG2-CD1 3.4Å; T186-I189 PolarHBondContact O-N 3.44Å; T186-I189 WeakPolarHBondContact OG1-CD1 3.04Å; T186-I189 VanDerWaalsContact OG1-CG1 3.27Å; T186-I189 WeakPolarHBondContact OG1-CG1 3.45Å; T186-I189 PolarHBondContact OG1-N 3.32Å; I189-K191 PolarHBondContact O-N 3.3Å; I189-K192 PolarHBondContact O-N 2.94Å; I189-I193 HydrophobicContact CG2-CD1 3.85Å; I189-I193 HydrophobicContact CG2-CG1 4.37Å; I189-I193 WeakPolarHBondContact O-CG1 3.37Å; I189-I193 PolarHBondContact O-N 2.95Å |
| 190 | E | 83.3 | Confident | 77.5 | Confident | 30 Ų | 30 | 61.4 Ų | 61.4 | 14% | 0.14 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.5 | -47.3 | 175 | 178.7 | 169.9 | -138.2 | 0 | 0 | 111.5 | Y121 Y185 T186 K192 I193 Y194 | Y121-E190 HydrophobicContact CE1-CG 3.84Å; Y121-E190 PolarHBondContact OH-OE1 2.85Å; Y185-E190 HydrophobicContact CE2-CB 3.99Å; Y185-E190 HydrophobicContact CE2-CG 4.37Å; Y185-E190 VanDerWaalsContact CE2-OE2 3.24Å; Y185-E190 WeakPolarHBondContact CE2-OE2 3.49Å; Y185-E190 PolarHBondContact OH-OE2 2.74Å; T186-E190 PolarHBondContact O-N 2.77Å; T186-E190 VanDerWaalsContact O-N 3.15Å; E190-K192 VanDerWaalsContact C-N 3.31Å; E190-K192 PolarHBondContact O-N 3.05Å; E190-I193 PolarHBondContact O-N 3.31Å; E190-Y194 HydrophobicContact CG-CD2 3.62Å; E190-Y194 HydrophobicContact CG-CE2 3.42Å; E190-Y194 VanDerWaalsContact CG-CE2 3.42Å; E190-Y194 VanDerWaalsContact O-CD2 3.29Å; E190-Y194 WeakPolarHBondContact O-CD2 3.18Å; E190-Y194 PolarHBondContact O-N 3.43Å |
| 191 | K | 78.2 | Confident | 77.5 | Confident | 64 Ų | 64 | 62.2 Ų | 62.2 | 28% | 0.278 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -53.2 | -46.1 | 173.5 | -82.6 | 172.9 | 167.6 | 169.7 | 0 | 111.9 | E187 Y188 I189 G195 E284 A286 | E187-K191 HydrophobicContact CG-CD 4.3Å; E187-K191 WeakPolarHBondContact O-CB 3.33Å; E187-K191 VanDerWaalsContact O-CG 3.31Å; E187-K191 WeakPolarHBondContact O-CG 3.18Å; E187-K191 PolarHBondContact O-N 3.44Å; E187-K191 VanDerWaalsContact OE1-CE 3.28Å; E187-K191 WeakPolarHBondContact OE1-CE 3.07Å; E187-K191 IonicContact OE1-NZ 3.04Å; E187-K191 PolarHBondContact OE1-NZ 2.91Å; Y188-K191 PolarHBondContact O-N 2.86Å; I189-K191 PolarHBondContact O-N 3.3Å; K191-G195 PolarHBondContact O-N 2.89Å; K191-E284 IonicContact NZ-OE1 2.72Å; K191-E284 PolarHBondContact NZ-OE1 2.92Å; K191-A286 HydrophobicContact CG-CB 4.11Å |
| 192 | K | 79 | Confident | 78.2 | Confident | 38 Ų | 38 | 64.1 Ų | 64.1 | 17% | 0.165 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 179.1 | -168.9 | 166.6 | -177.8 | 168.9 | 0 | 112.8 | K41 I44 E45 Y188 I189 E190 G195 L196 | K41-K192 PolarHBondContact O-NZ 2.69Å; I44-K192 HydrophobicContact CG2-CD 4.24Å; E45-K192 VanDerWaalsContact OE1-CE 3.24Å; E45-K192 WeakPolarHBondContact OE1-CE 3.21Å; E45-K192 IonicContact OE1-NZ 3.31Å; E45-K192 PolarHBondContact OE1-NZ 2.81Å; Y188-K192 PolarHBondContact O-N 3.41Å; I189-K192 PolarHBondContact O-N 2.94Å; E190-K192 VanDerWaalsContact C-N 3.31Å; E190-K192 PolarHBondContact O-N 3.05Å; K192-G195 PolarHBondContact O-N 3.25Å; K192-L196 HydrophobicContact CG-CD1 4.13Å; K192-L196 PolarHBondContact O-N 2.89Å |
| 193 | I | 82 | Confident | 78.8 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.7 | -48.2 | 177.5 | -67.1 | 165.4 | 0 | 0 | 0 | 110.8 | I48 I54 Y121 I161 F163 I189 E190 G195 L196 Y197 | I48-I193 HydrophobicContact CD1-CG1 4.08Å; I48-I193 HydrophobicContact CG1-CG1 4.49Å; I54-I193 HydrophobicContact CG2-CD1 4.15Å; I54-I193 HydrophobicContact CG2-CG2 4.39Å; Y121-I193 HydrophobicContact CD1-CG2 4.24Å; Y121-I193 HydrophobicContact CD2-CD1 4.32Å; Y121-I193 HydrophobicContact CD2-CG2 4.3Å; Y121-I193 HydrophobicContact CE2-CD1 4.33Å; Y121-I193 HydrophobicContact CG-CG2 3.82Å; I161-I193 HydrophobicContact CD1-CD1 4.14Å; I161-I193 HydrophobicContact CG2-CD1 3.78Å; F163-I193 HydrophobicContact CE1-CD1 4.32Å; F163-I193 HydrophobicContact CE1-CG1 4.4Å; F163-I193 HydrophobicContact CZ-CD1 3.95Å; F163-I193 HydrophobicContact CZ-CG1 4.25Å; I189-I193 HydrophobicContact CG2-CD1 3.85Å; I189-I193 HydrophobicContact CG2-CG1 4.37Å; I189-I193 WeakPolarHBondContact O-CG1 3.37Å; I189-I193 PolarHBondContact O-N 2.95Å; E190-I193 PolarHBondContact O-N 3.31Å; I193-G195 VanDerWaalsContact C-N 3.35Å; I193-G195 PolarHBondContact O-N 3.42Å; I193-L196 PolarHBondContact O-N 3.47Å; I193-Y197 PolarHBondContact O-N 2.97Å |
| 194 | Y | 74.7 | Confident | 79.5 | Confident | 44 Ų | 44 | 67.8 Ų | 67.8 | 17% | 0.173 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 177.8 | -81.7 | -63.4 | 0 | 0 | 0 | 112.4 | Y121 E190 L196 C198 P230 A286 | Y121-Y194 HydrophobicContact CD1-CE1 4.14Å; Y121-Y194 AromaticContact CD1-CE2 3.97Å; Y121-Y194 HydrophobicContact CD1-CE2 3.97Å; Y121-Y194 AromaticContact CD1-CZ 3.72Å; Y121-Y194 HydrophobicContact CE1-CD2 4.45Å; Y121-Y194 AromaticContact CE1-CE2 3.7Å; Y121-Y194 HydrophobicContact CE1-CE2 3.7Å; Y121-Y194 AromaticContact CE1-CZ 3.79Å; E190-Y194 HydrophobicContact CG-CD2 3.62Å; E190-Y194 HydrophobicContact CG-CE2 3.42Å; E190-Y194 VanDerWaalsContact CG-CE2 3.42Å; E190-Y194 VanDerWaalsContact O-CD2 3.29Å; E190-Y194 WeakPolarHBondContact O-CD2 3.18Å; E190-Y194 PolarHBondContact O-N 3.43Å; Y194-L196 PolarHBondContact O-N 2.67Å; Y194-C198 HydrophobicContact CD1-CB 4.49Å; Y194-C198 WeakPolarHBondContact O-CB 3.29Å; Y194-C198 PolarHBondContact O-N 3.15Å; Y194-C198 VanDerWaalsContact O-N 3.16Å; Y194-P230 HydrophobicContact CD1-CG 3.69Å; Y194-P230 HydrophobicContact CD2-CG 4.15Å; Y194-P230 HydrophobicContact CE1-CG 3.5Å; Y194-P230 HydrophobicContact CE2-CG 3.95Å; Y194-P230 HydrophobicContact CG-CG 4.03Å; Y194-A286 HydrophobicContact CD2-CB 3.56Å; Y194-A286 HydrophobicContact CE2-CB 4.44Å; Y194-A286 HydrophobicContact CG-CB 3.9Å |
| 195 | G | 72.1 | Confident | 80.2 | Confident | 57 Ų | 57 | 66.1 Ų | 66.1 | 59% | 0.588 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.4 | -28.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | K191 K192 I193 | K191-G195 PolarHBondContact O-N 2.89Å; K192-G195 PolarHBondContact O-N 3.25Å; I193-G195 VanDerWaalsContact C-N 3.35Å; I193-G195 PolarHBondContact O-N 3.42Å |
| 196 | L | 72.4 | Confident | 80.9 | Confident | 77 Ų | 77 | 64 Ų | 64 | 40% | 0.403 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -92.7 | -36.5 | -178.9 | -81.5 | 150.2 | 0 | 0 | 0 | 114 | E45 I48 K192 I193 Y194 | E45-L196 HydrophobicContact CB-CD1 4.5Å; E45-L196 HydrophobicContact CG-CD1 3.77Å; I48-L196 HydrophobicContact CD1-CB 4.37Å; I48-L196 HydrophobicContact CD1-CD1 3.5Å; I48-L196 HydrophobicContact CG2-CB 4Å; I48-L196 HydrophobicContact CG2-CD1 4.29Å; K192-L196 HydrophobicContact CG-CD1 4.13Å; K192-L196 PolarHBondContact O-N 2.89Å; I193-L196 PolarHBondContact O-N 3.47Å; Y194-L196 PolarHBondContact O-N 2.67Å |
| 197 | Y | 68 | Low | 81.6 | Confident | 47 Ų | 47 | 66.2 Ų | 66.2 | 18% | 0.184 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -103.6 | -19.8 | -169.3 | -97.2 | -52.4 | 0 | 0 | 0 | 116.4 | I48 Q49 I54 K122 I193 H199 | I48-Y197 HydrophobicContact CB-CD2 4.39Å; I48-Y197 HydrophobicContact CB-CE2 3.74Å; I48-Y197 HydrophobicContact CG1-CE2 4.32Å; I48-Y197 HydrophobicContact CG2-CD2 3.48Å; I48-Y197 VanDerWaalsContact CG2-CD2 3.48Å; I48-Y197 HydrophobicContact CG2-CE2 2.96Å; I48-Y197 HydrophobicContact CG2-CG 4.47Å; I48-Y197 VanDerWaalsContact O-CE2 3.26Å; I48-Y197 WeakPolarHBondContact O-CE2 3.39Å; I48-Y197 PolarHBondContact O-OH 2.91Å; Q49-Y197 WeakPolarHBondContact CA-OH 3.36Å; Q49-Y197 PolarHBondContact N-OH 3.12Å; I54-Y197 HydrophobicContact CD1-CD2 3.81Å; I54-Y197 HydrophobicContact CD1-CE2 3.58Å; K122-Y197 HydrophobicContact CD-CD1 4.23Å; K122-Y197 HydrophobicContact CD-CD2 4.13Å; K122-Y197 HydrophobicContact CD-CE1 3.92Å; K122-Y197 HydrophobicContact CD-CE2 3.67Å; K122-Y197 HydrophobicContact CD-CG 4.41Å; K122-Y197 VanDerWaalsContact NZ-CZ 3.31Å; K122-Y197 PolarHBondContact NZ-OH 2.91Å; I193-Y197 PolarHBondContact O-N 2.97Å; Y197-H199 PolarHBondContact O-N 3.47Å; Y197-H199 PolarHBondContact O-ND1 2.92Å |
| 198 | C | 69.3 | Low | 82.4 | Confident | 49 Ų | 49 | 66 Ų | 66 | 33% | 0.331 | 35% | 0.349 | S | S | . | . | trans | -83.7 | 96.9 | -168.1 | -165.6 | 0 | 0 | 0 | 0 | 110.8 | Y194 N200 C201 | Y194-C198 HydrophobicContact CD1-CB 4.49Å; Y194-C198 WeakPolarHBondContact O-CB 3.29Å; Y194-C198 PolarHBondContact O-N 3.15Å; Y194-C198 VanDerWaalsContact O-N 3.16Å; C198-N200 VanDerWaalsContact C-N 3.25Å; C198-N200 PolarHBondContact O-N 3.06Å; C198-C201 HydrophobicContact CB-CB 3.34Å; C198-C201 WeakPolarHBondContact CB-SG 3.35Å; C198-C201 PolarHBondContact O-N 2.84Å; C198-C201 WeakPolarHBondContact SG-CA 3.47Å; C198-C201 WeakPolarHBondContact SG-CB 3.26Å; C198-C201 PolarHBondContact SG-N 2.86Å; C198-C201 CovalentContact SG-SG 1.97Å; C198-C201 PolarHBondContact SG-SG 2.76Å | ||
| 199 | H | 67.9 | Low | 83.2 | Confident | 168 Ų | 168 | 60.5 Ų | 60.5 | 78% | 0.778 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -27.9 | -179.2 | -67.8 | 67.7 | 0 | 0 | 0 | 112.3 | Y197 | Y197-H199 PolarHBondContact O-N 3.47Å; Y197-H199 PolarHBondContact O-ND1 2.92Å |
| 200 | N | 76.5 | Confident | 84 | Confident | 143 Ų | 143 | 64.1 Ų | 64.1 | 77% | 0.765 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.9 | 24.3 | -179 | -62.4 | -18.6 | 0 | 0 | 0 | 112.4 | C198 T229 | C198-N200 VanDerWaalsContact C-N 3.25Å; C198-N200 PolarHBondContact O-N 3.06Å; N200-T229 PolarHBondContact O-OG1 3.22Å |
| 201 | C | 82.2 | Confident | 84.6 | Confident | 26 Ų | 26 | 68.1 Ų | 68.1 | 18% | 0.176 | 38% | 0.375 | C | S | . | . | trans | -81.6 | 142.5 | 177.3 | -89.8 | 0 | 0 | 0 | 0 | 111.8 | C198 T229 L287 | C198-C201 HydrophobicContact CB-CB 3.34Å; C198-C201 WeakPolarHBondContact CB-SG 3.35Å; C198-C201 PolarHBondContact O-N 2.84Å; C198-C201 WeakPolarHBondContact SG-CA 3.47Å; C198-C201 WeakPolarHBondContact SG-CB 3.26Å; C198-C201 PolarHBondContact SG-N 2.86Å; C198-C201 CovalentContact SG-SG 1.97Å; C198-C201 PolarHBondContact SG-SG 2.76Å; C201-T229 CarbonylContact C-O 3.43Å; C201-T229 VanDerWaalsContact CA-O 3.29Å; C201-T229 WeakPolarHBondContact CA-O 3.34Å; C201-T229 VanDerWaalsContact CA-OG1 3.24Å; C201-T229 WeakPolarHBondContact CA-OG1 3.36Å; C201-T229 VanDerWaalsContact CB-O 3.24Å; C201-T229 WeakPolarHBondContact CB-O 3.35Å; C201-T229 PolarHBondContact SG-O 3Å; C201-L287 HydrophobicContact CB-CD1 3.54Å; C201-L287 HydrophobicContact CB-CD2 3.7Å; C201-L287 HydrophobicContact CB-CG 4.24Å | ||
| 202 | V | 89.3 | Confident | 85.5 | Confident | 76 Ų | 76 | 66.9 Ų | 66.9 | 46% | 0.461 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 125.1 | -175.2 | -176.4 | 0 | 0 | 0 | 0 | 107.1 | G228 T229 N285 | V202-G228 WeakPolarHBondContact O-CA 3.33Å; V202-T229 WeakPolarHBondContact CB-OG1 3.07Å; V202-T229 WeakPolarHBondContact CG2-OG1 3.35Å; V202-T229 PolarHBondContact N-O 2.84Å; V202-T229 PolarHBondContact N-OG1 3.47Å; V202-T229 PolarHBondContact O-N 2.77Å; V202-N285 PolarHBondContact O-ND2 3.32Å |
| 203 | K | 90.7 | Very high | 86.3 | Confident | 115 Ų | 115 | 69.1 Ų | 69.1 | 50% | 0.5 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 148.8 | 172 | -179 | -179.3 | 176 | -170.2 | 0 | 109.4 | T205 L287 L289 | K203-T205 PolarHBondContact O-N 3.03Å; K203-L287 HydrophobicContact CB-CB 4.35Å; K203-L289 WeakPolarHBondContact CE-O 3.47Å; K203-L289 PolarHBondContact NZ-O 3.34Å |
| 204 | P | 95.5 | Very high | 86.9 | Confident | 4 Ų | 4 | 71 Ų | 71 | 3% | 0.026 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 142.6 | -178.9 | -22.3 | 36.5 | 0 | 0 | 0 | 110.9 | T227 P232 A283 N285 G288 A290 | P204-T227 CarbonylContact C-O 3.57Å; P204-T227 WeakPolarHBondContact CA-O 3.43Å; P204-P232 HydrophobicContact CB-CB 4.04Å; P204-P232 HydrophobicContact CB-CG 4.44Å; P204-P232 HydrophobicContact CG-CB 4.01Å; P204-A283 HydrophobicContact CB-CB 3.97Å; P204-N285 VanDerWaalsContact CD-OD1 3.22Å; P204-N285 WeakPolarHBondContact CD-OD1 3.49Å; P204-N285 HydrophobicContact CG-CB 3.89Å; P204-N285 VanDerWaalsContact CG-CG 3.43Å; P204-G288 WeakPolarHBondContact CD-O 3.27Å; P204-G288 WeakPolarHBondContact CG-O 3.29Å; P204-A290 HydrophobicContact CB-CB 4.06Å; P204-A290 WeakPolarHBondContact O-CB 3.06Å |
| 205 | T | 97 | Very high | 87.7 | Confident | 75 Ų | 75 | 72.3 Ų | 72.3 | 46% | 0.46 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 140.1 | 167.7 | 65.9 | 0 | 0 | 0 | 0 | 108 | K203 A226 T227 | K203-T205 PolarHBondContact O-N 3.03Å; T205-A226 CarbonylContact O-C 3.46Å; T205-A226 WeakPolarHBondContact O-CA 3.27Å; T205-T227 PolarHBondContact N-O 2.99Å; T205-T227 PolarHBondContact O-N 3Å; T205-T227 PolarHBondContact OG1-OG1 2.89Å |
| 206 | I | 97.8 | Very high | 88.5 | Confident | 26 Ų | 26 | 74.8 Ų | 74.8 | 13% | 0.133 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 136.3 | -178.4 | -57.9 | 175.3 | 0 | 0 | 0 | 107.4 | C224 L225 A226 A283 A290 E292 | I206-C224 VanDerWaalsContact CG2-SG 3.53Å; I206-L225 CarbonylContact C-O 3.6Å; I206-L225 WeakPolarHBondContact CA-O 3.36Å; I206-A226 HydrophobicContact CG1-CB 4.01Å; I206-A283 HydrophobicContact CD1-CB 3.59Å; I206-A283 HydrophobicContact CG1-CB 3.62Å; I206-A290 HydrophobicContact CD1-CB 4.03Å; I206-A290 HydrophobicContact CG1-CB 3.9Å; I206-E292 HydrophobicContact CB-CB 4.01Å; I206-E292 HydrophobicContact CD1-CB 4.37Å; I206-E292 HydrophobicContact CG2-CB 3.56Å; I206-E292 HydrophobicContact CG2-CG 4.29Å |
| 207 | E | 97 | Very high | 89.2 | Confident | 102 Ų | 102 | 72.7 Ų | 72.7 | 48% | 0.477 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 146.1 | 172 | -60.6 | -173.5 | -172.6 | 0 | 0 | 110.6 | I209 L225 | E207-I209 PolarHBondContact O-N 3.26Å; E207-L225 HydrophobicContact CB-CB 4.13Å; E207-L225 HydrophobicContact CG-CB 4.01Å; E207-L225 PolarHBondContact N-O 2.71Å; E207-L225 VanDerWaalsContact OE2-CD1 3.27Å; E207-L225 WeakPolarHBondContact OE2-CD1 2.92Å |
| 208 | S | 96.6 | Very high | 90.3 | Very high | 103 Ų | 103 | 74.7 Ų | 74.7 | 72% | 0.72 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 127.1 | -179.4 | 59.1 | 0 | 0 | 0 | 0 | 111.4 | ||
| 209 | I | 97.1 | Very high | 91.5 | Very high | 11 Ų | 11 | 75.1 Ų | 75.1 | 6% | 0.056 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -92.2 | 125.1 | 179.7 | -52.6 | 170.7 | 0 | 0 | 0 | 108.6 | E207 T222 C224 W236 C281 E292 F294 | E207-I209 PolarHBondContact O-N 3.26Å; I209-T222 WeakPolarHBondContact CG2-OG1 3.34Å; I209-C224 HydrophobicContact CD1-CB 3.96Å; I209-W236 HydrophobicContact CD1-CH2 3.99Å; I209-W236 HydrophobicContact CD1-CZ3 4.19Å; I209-C281 HydrophobicContact CD1-CB 3.73Å; I209-E292 HydrophobicContact CD1-CB 4.34Å; I209-E292 HydrophobicContact CD1-CG 4.4Å; I209-E292 HydrophobicContact CG1-CG 4.13Å; I209-F294 HydrophobicContact CB-CB 4.02Å; I209-F294 HydrophobicContact CB-CD1 4.42Å; I209-F294 HydrophobicContact CD1-CD1 4.5Å; I209-F294 HydrophobicContact CG2-CB 3.72Å; I209-F294 HydrophobicContact CG2-CD1 3.7Å; I209-F294 HydrophobicContact CG2-CG 3.8Å |
| 210 | P | 96.8 | Very high | 92.8 | Very high | 90 Ų | 90 | 67.1 Ų | 67.1 | 58% | 0.584 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 139 | -178.3 | 27.5 | -33.9 | 0 | 0 | 0 | 111.8 | ||
| 211 | N | 97.2 | Very high | 93.7 | Very high | 114 Ų | 114 | 64 Ų | 64 | 61% | 0.61 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 143.9 | 170 | -67.1 | -31.1 | 0 | 0 | 0 | 110.5 | T295 | N211-T295 PolarHBondContact OD1-N 2.7Š|
| 212 | Q | 95.5 | Very high | 94.4 | Very high | 38 Ų | 38 | 63 Ų | 63 | 18% | 0.178 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 139.2 | -175.4 | -59.7 | -155.1 | 20.8 | 0 | 0 | 111.7 | L220 T221 T295 L296 K297 | Q212-L220 HydrophobicContact CB-CD1 4.39Å; Q212-L220 HydrophobicContact CG-CD1 4.22Å; Q212-T221 PolarHBondContact NE2-O 3.38Å; Q212-T295 PolarHBondContact N-O 3.31Å; Q212-L296 HydrophobicContact CB-CD1 4.03Å; Q212-L296 WeakPolarHBondContact O-CA 3.3Å; Q212-K297 PolarHBondContact O-N 3.22Å |
| 213 | V | 95.9 | Very high | 94.7 | Very high | 85 Ų | 85 | 61.1 Ų | 61.1 | 52% | 0.515 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 107.5 | 175.7 | -176 | 0 | 0 | 0 | 0 | 106.9 | K297 Q299 | V213-K297 WeakPolarHBondContact CA-O 3.19Å; V213-K297 HydrophobicContact CG2-CB 4.3Å; V213-Q299 HydrophobicContact CG1-CG 3.83Å |
| 214 | L | 95.1 | Very high | 95 | Very high | 40 Ų | 40 | 55.7 Ų | 55.7 | 21% | 0.209 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 155.1 | -173.5 | -63.5 | 176.1 | 0 | 0 | 0 | 109.7 | L220 L271 L296 K297 V298 Q299 | L214-L220 HydrophobicContact CD1-CB 3.98Å; L214-L220 HydrophobicContact CD1-CD1 4.01Å; L214-L271 HydrophobicContact CB-CD1 3.73Å; L214-L271 HydrophobicContact CD1-CD1 3.5Å; L214-L271 HydrophobicContact CG-CD1 4.26Å; L214-L296 HydrophobicContact CD1-CD1 4.08Å; L214-L296 HydrophobicContact CG-CD1 4.4Å; L214-K297 PolarHBondContact N-O 3.01Å; L214-V298 CarbonylContact O-C 3.59Å; L214-V298 VanDerWaalsContact O-CA 3.24Å; L214-V298 WeakPolarHBondContact O-CA 3.13Å; L214-Q299 PolarHBondContact O-N 2.85Å |
| 215 | E | 91.5 | Very high | 95.1 | Very high | 72 Ų | 72 | 57 Ų | 57 | 34% | 0.336 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 155.3 | 177.2 | -65.2 | 176.7 | 178.2 | 0 | 0 | 111.3 | G217 H218 Q299 | E215-G217 PolarHBondContact O-N 2.62Å; E215-H218 WeakPolarHBondContact CB-ND1 3.33Å; E215-H218 WeakPolarHBondContact O-CB 3.24Å; E215-H218 PolarHBondContact O-N 3.12Å; E215-H218 VanDerWaalsContact O-N 3.11Å; E215-H218 PolarHBondContact O-ND1 2.95Å; E215-H218 IonicContact OE2-CE1 3.91Å; E215-H218 PolarHBondContact OE2-CE1 3.31Å; E215-Q299 CarbonylContact C-O 3.45Å; E215-Q299 WeakPolarHBondContact CA-O 3.32Å |
| 216 | Y | 88.4 | Confident | 95.1 | Very high | 110 Ų | 110 | 53.4 Ų | 53.4 | 43% | 0.431 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | 134.2 | 171.9 | -179 | -87.4 | 0 | 0 | 0 | 111.8 | H218 I272 L273 Q299 | Y216-H218 VanDerWaalsContact C-N 3.3Å; Y216-H218 PolarHBondContact O-N 3.41Å; Y216-I272 HydrophobicContact CE2-CB 4.11Å; Y216-I272 HydrophobicContact CE2-CG2 3.78Å; Y216-L273 HydrophobicContact CD2-CG 4.42Å; Y216-Q299 PolarHBondContact N-O 3.07Å |
| 217 | G | 87.5 | Confident | 95.1 | Very high | 33 Ų | 33 | 54.4 Ų | 54.4 | 34% | 0.34 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | -6.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | E215 N270 L271 | E215-G217 PolarHBondContact O-N 2.62Å; G217-N270 WeakPolarHBondContact CA-OD1 3.5Å; G217-L271 PolarHBondContact N-O 3.49Å |
| 218 | H | 92.3 | Very high | 94.9 | Very high | 89 Ų | 89 | 49.7 Ų | 49.7 | 41% | 0.412 | 29% | 0.288 | S | S | . | . | trans | -76.5 | 171.3 | 173 | -70.8 | 67.5 | 0 | 0 | 0 | 111.5 | E215 Y216 N270 L271 | E215-H218 WeakPolarHBondContact CB-ND1 3.33Å; E215-H218 WeakPolarHBondContact O-CB 3.24Å; E215-H218 PolarHBondContact O-N 3.12Å; E215-H218 VanDerWaalsContact O-N 3.11Å; E215-H218 PolarHBondContact O-ND1 2.95Å; E215-H218 IonicContact OE2-CE1 3.91Å; E215-H218 PolarHBondContact OE2-CE1 3.31Å; Y216-H218 VanDerWaalsContact C-N 3.3Å; Y216-H218 PolarHBondContact O-N 3.41Å; H218-N270 PolarHBondContact O-N 3.5Å; H218-L271 WeakPolarHBondContact O-CB 3.21Å; H218-L271 VanDerWaalsContact O-CG 3.27Å; H218-L271 WeakPolarHBondContact O-CG 3.46Å; H218-L271 PolarHBondContact O-N 2.86Å | ||
| 219 | S | 93.4 | Very high | 94.5 | Very high | 57 Ų | 57 | 47.1 Ų | 47.1 | 40% | 0.399 | 27% | 0.268 | S | S | . | . | trans | -104.7 | 138 | 172.4 | -61.8 | 0 | 0 | 0 | 0 | 110.9 | I268 N269 | S219-I268 CarbonylContact C-O 3.58Å; S219-I268 VanDerWaalsContact CA-O 3.24Å; S219-I268 WeakPolarHBondContact CA-O 3.44Å; S219-N269 WeakPolarHBondContact OG-CA 3.49Å; S219-N269 PolarHBondContact OG-OD1 2.95Å | ||
| 220 | L | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 133 | 165.3 | 170.9 | 63.2 | 0 | 0 | 0 | 108.7 | Q212 L214 T222 E267 I268 L271 F294 L296 | Q212-L220 HydrophobicContact CB-CD1 4.39Å; Q212-L220 HydrophobicContact CG-CD1 4.22Å; L214-L220 HydrophobicContact CD1-CB 3.98Å; L214-L220 HydrophobicContact CD1-CD1 4.01Å; L220-T222 HydrophobicContact CD1-CG2 4.46Å; L220-T222 HydrophobicContact CD2-CG2 4.48Å; L220-T222 HydrophobicContact CG-CG2 4.5Å; L220-E267 CarbonylContact O-C 3.55Å; L220-E267 WeakPolarHBondContact O-CA 3.21Å; L220-I268 HydrophobicContact CB-CB 4.1Å; L220-I268 HydrophobicContact CB-CG1 4.4Å; L220-I268 HydrophobicContact CD2-CD1 3.81Å; L220-I268 HydrophobicContact CD2-CG1 4Å; L220-I268 PolarHBondContact N-O 3.11Å; L220-I268 PolarHBondContact O-N 3.34Å; L220-L271 HydrophobicContact CB-CD1 4.13Å; L220-L271 HydrophobicContact CB-CD2 4.25Å; L220-F294 HydrophobicContact CD1-CE2 4.43Å; L220-F294 HydrophobicContact CD2-CE2 4.14Å; L220-F294 HydrophobicContact CD2-CZ 4.01Å; L220-L296 HydrophobicContact CD1-CD1 4.28Å; L220-L296 HydrophobicContact CD2-CD1 4.38Å; L220-L296 HydrophobicContact CD2-CD2 3.88Å |
| 221 | T | 95.8 | Very high | 93.6 | Very high | 77 Ų | 77 | 46.2 Ų | 46.2 | 47% | 0.472 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 120.4 | 160.8 | -58.6 | 0 | 0 | 0 | 0 | 107 | Q212 I265 E267 | Q212-T221 PolarHBondContact NE2-O 3.38Å; T221-I265 HydrophobicContact CG2-CG2 3.8Å; T221-E267 HydrophobicContact CG2-CG 4.22Å |
| 222 | T | 96.3 | Very high | 93.5 | Very high | 6 Ų | 6 | 41 Ų | 41 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 146.3 | 179.1 | -167.6 | 0 | 0 | 0 | 0 | 110.4 | I209 L220 W236 I265 L266 F294 | I209-T222 WeakPolarHBondContact CG2-OG1 3.34Å; L220-T222 HydrophobicContact CD1-CG2 4.46Å; L220-T222 HydrophobicContact CD2-CG2 4.48Å; L220-T222 HydrophobicContact CG-CG2 4.5Å; T222-W236 HydrophobicContact CG2-CH2 3.93Å; T222-W236 HydrophobicContact CG2-CZ2 4.48Å; T222-W236 HydrophobicContact CG2-CZ3 4.46Å; T222-I265 CarbonylContact O-C 3.29Å; T222-I265 WeakPolarHBondContact O-CA 3.47Å; T222-L266 HydrophobicContact CG2-CB 3.82Å; T222-L266 HydrophobicContact CG2-CD2 4.17Å; T222-L266 HydrophobicContact CG2-CG 4.28Å; T222-L266 PolarHBondContact N-O 2.9Å; T222-L266 PolarHBondContact O-N 2.89Å; T222-F294 HydrophobicContact CG2-CE1 3.71Å; T222-F294 HydrophobicContact CG2-CE2 4.37Å; T222-F294 HydrophobicContact CG2-CZ 3.62Å |
| 223 | S | 96.5 | Very high | 93.4 | Very high | 37 Ų | 37 | 44.4 Ų | 44.4 | 26% | 0.259 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 134.9 | -176.3 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | E263 S264 | S223-E263 WeakPolarHBondContact CB-OE1 3.3Å; S223-E263 VanDerWaalsContact OG-CD 3.28Å; S223-E263 VanDerWaalsContact OG-CG 3.23Å; S223-E263 WeakPolarHBondContact OG-CG 3.49Å; S223-E263 PolarHBondContact OG-OE1 2.74Å; S223-S264 CarbonylContact C-O 3.54Å; S223-S264 WeakPolarHBondContact CA-O 3.44Å |
| 224 | C | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 110.1 | 168.6 | 179.4 | 0 | 0 | 0 | 0 | 108.8 | I206 I209 W236 E263 S264 C281 | I206-C224 VanDerWaalsContact CG2-SG 3.53Å; I209-C224 HydrophobicContact CD1-CB 3.96Å; C224-W236 HydrophobicContact CB-CH2 3.61Å; C224-W236 HydrophobicContact CB-CZ2 3.41Å; C224-W236 VanDerWaalsContact CB-CZ2 3.41Å; C224-E263 WeakPolarHBondContact O-CA 3.12Å; C224-S264 PolarHBondContact N-O 3.15Å; C224-S264 PolarHBondContact O-N 3.23Å; C224-C281 HydrophobicContact CB-CB 3.68Å; C224-C281 WeakPolarHBondContact CB-SG 3.36Å; C224-C281 WeakPolarHBondContact SG-CB 3.34Å; C224-C281 CovalentContact SG-SG 2.02Å; C224-C281 PolarHBondContact SG-SG 3.03Å |
| 225 | L | 97.6 | Very high | 93.2 | Very high | 31 Ų | 31 | 43.8 Ų | 43.8 | 16% | 0.162 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 118.9 | 177.6 | -61.2 | 175.3 | 0 | 0 | 0 | 108.7 | I206 E207 Y261 E263 | I206-L225 CarbonylContact C-O 3.6Å; I206-L225 WeakPolarHBondContact CA-O 3.36Å; E207-L225 HydrophobicContact CB-CB 4.13Å; E207-L225 HydrophobicContact CG-CB 4.01Å; E207-L225 PolarHBondContact N-O 2.71Å; E207-L225 VanDerWaalsContact OE2-CD1 3.27Å; E207-L225 WeakPolarHBondContact OE2-CD1 2.92Å; L225-Y261 WeakPolarHBondContact CD1-OH 3.35Å; L225-Y261 HydrophobicContact CD2-CE1 4.04Å; L225-Y261 VanDerWaalsContact CD2-OH 3.31Å; L225-Y261 WeakPolarHBondContact CD2-OH 3.44Å; L225-E263 HydrophobicContact CD2-CB 3.54Å; L225-E263 VanDerWaalsContact CD2-CD 3.41Å; L225-E263 HydrophobicContact CD2-CG 3.51Å |
| 226 | A | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 141.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T205 I206 P232 I234 V262 A283 | T205-A226 CarbonylContact O-C 3.46Å; T205-A226 WeakPolarHBondContact O-CA 3.27Å; I206-A226 HydrophobicContact CG1-CB 4.01Å; A226-P232 HydrophobicContact CB-CG 4.01Å; A226-I234 HydrophobicContact CB-CD1 3.66Å; A226-V262 HydrophobicContact CB-CG1 3.86Å; A226-V262 PolarHBondContact N-O 2.96Å; A226-V262 PolarHBondContact O-N 3.31Å; A226-A283 HydrophobicContact CB-CB 3.7Å |
| 227 | T | 96.1 | Very high | 93.6 | Very high | 48 Ų | 48 | 36.9 Ų | 36.9 | 29% | 0.294 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 143.4 | 172.7 | 59.4 | 0 | 0 | 0 | 0 | 111 | P204 T205 G260 Y261 | P204-T227 CarbonylContact C-O 3.57Å; P204-T227 WeakPolarHBondContact CA-O 3.43Å; T205-T227 PolarHBondContact N-O 2.99Å; T205-T227 PolarHBondContact O-N 3Å; T205-T227 PolarHBondContact OG1-OG1 2.89Å; T227-G260 CarbonylContact C-O 3.21Å; T227-G260 WeakPolarHBondContact CA-O 3.29Å; T227-Y261 HydrophobicContact CG2-CD2 3.45Å; T227-Y261 VanDerWaalsContact CG2-CD2 3.45Å; T227-Y261 HydrophobicContact CG2-CE2 4.11Å; T227-Y261 HydrophobicContact CG2-CG 4.3Å |
| 228 | G | 93 | Very high | 93.5 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177 | 151.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V202 P230 T231 G260 | V202-G228 WeakPolarHBondContact O-CA 3.33Å; G228-P230 CarbonylContact C-O 3.53Å; G228-P230 CarbonylContact O-C 3.59Å; G228-P230 VanDerWaalsContact O-C 3.29Å; G228-P230 VanDerWaalsContact O-O 3.1Å; G228-T231 PolarHBondContact O-N 3.38Å; G228-G260 PolarHBondContact N-O 3.27Å; G228-G260 CarbonylContact O-C 3.49Å; G228-G260 WeakPolarHBondContact O-CA 3.36Å |
| 229 | T | 88.4 | Confident | 92.7 | Very high | 48 Ų | 48 | 38.8 Ų | 38.8 | 29% | 0.294 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 115 | 175.2 | 44.7 | 0 | 0 | 0 | 0 | 107.7 | N200 C201 V202 L287 | N200-T229 PolarHBondContact O-OG1 3.22Å; C201-T229 CarbonylContact C-O 3.43Å; C201-T229 VanDerWaalsContact CA-O 3.29Å; C201-T229 WeakPolarHBondContact CA-O 3.34Å; C201-T229 VanDerWaalsContact CA-OG1 3.24Å; C201-T229 WeakPolarHBondContact CA-OG1 3.36Å; C201-T229 VanDerWaalsContact CB-O 3.24Å; C201-T229 WeakPolarHBondContact CB-O 3.35Å; C201-T229 PolarHBondContact SG-O 3Å; V202-T229 WeakPolarHBondContact CB-OG1 3.07Å; V202-T229 WeakPolarHBondContact CG2-OG1 3.35Å; V202-T229 PolarHBondContact N-O 2.84Å; V202-T229 PolarHBondContact N-OG1 3.47Å; V202-T229 PolarHBondContact O-N 2.77Å; T229-L287 WeakPolarHBondContact O-CD1 3.33Å |
| 230 | P | 86.4 | Confident | 91.9 | Very high | 33 Ų | 33 | 39.4 Ų | 39.4 | 21% | 0.214 | 24% | 0.238 | C | C | . | . | S | Bend | cis | -62.8 | 160 | -0.3 | -19.2 | 34.1 | 0 | 0 | 0 | 113.8 | Y194 G228 N285 | Y194-P230 HydrophobicContact CD1-CG 3.69Å; Y194-P230 HydrophobicContact CD2-CG 4.15Å; Y194-P230 HydrophobicContact CE1-CG 3.5Å; Y194-P230 HydrophobicContact CE2-CG 3.95Å; Y194-P230 HydrophobicContact CG-CG 4.03Å; G228-P230 CarbonylContact C-O 3.53Å; G228-P230 CarbonylContact O-C 3.59Å; G228-P230 VanDerWaalsContact O-C 3.29Å; G228-P230 VanDerWaalsContact O-O 3.1Å; P230-N285 WeakPolarHBondContact O-CB 3.46Å; P230-N285 PolarHBondContact O-ND2 2.83Å |
| 231 | T | 89.4 | Confident | 91 | Very high | 49 Ų | 49 | 47.1 Ų | 47.1 | 30% | 0.301 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -51.5 | 124.7 | 179.3 | -52.7 | 0 | 0 | 0 | 0 | 110.4 | G228 E256 G260 V262 | G228-T231 PolarHBondContact O-N 3.38Å; T231-E256 HydrophobicContact CG2-CG 4.12Å; T231-E256 PolarHBondContact OG1-OE1 3.23Å; T231-G260 WeakPolarHBondContact OG1-CA 3.34Å; T231-G260 PolarHBondContact OG1-N 3.4Å; T231-V262 HydrophobicContact CG2-CB 4.18Å |
| 232 | P | 94 | Very high | 90.2 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.032 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 150.1 | -175.9 | 27.7 | -30.5 | 0 | 0 | 0 | 112.1 | P204 A226 V262 A283 E284 N285 | P204-P232 HydrophobicContact CB-CB 4.04Å; P204-P232 HydrophobicContact CB-CG 4.44Å; P204-P232 HydrophobicContact CG-CB 4.01Å; A226-P232 HydrophobicContact CB-CG 4.01Å; P232-V262 HydrophobicContact CG-CG1 3.76Å; P232-A283 HydrophobicContact CB-CB 4.11Å; P232-E284 CarbonylContact C-O 3.51Å; P232-E284 VanDerWaalsContact CA-O 3.24Å; P232-E284 WeakPolarHBondContact CA-O 3.32Å; P232-N285 HydrophobicContact CB-CB 4.32Å |
| 233 | T | 93.2 | Very high | 89.6 | Confident | 109 Ų | 109 | 47.5 Ų | 47.5 | 67% | 0.669 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 133.4 | 170.5 | -54.5 | 0 | 0 | 0 | 0 | 109.2 | A283 E284 | T233-A283 WeakPolarHBondContact O-CA 3.33Å; T233-E284 PolarHBondContact N-O 2.84Å; T233-E284 PolarHBondContact O-N 2.82Å |
| 234 | I | 95.2 | Very high | 88.5 | Confident | 20 Ų | 20 | 49.4 Ų | 49.4 | 10% | 0.103 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 139.6 | -179.1 | -54.8 | -58.8 | 0 | 0 | 0 | 111.7 | A226 T254 V262 S264 C281 Y282 A283 | A226-I234 HydrophobicContact CB-CD1 3.66Å; I234-T254 HydrophobicContact CG1-CG2 4.5Å; I234-V262 HydrophobicContact CD1-CG1 3.76Å; I234-V262 HydrophobicContact CG1-CG1 3.71Å; I234-V262 HydrophobicContact CG1-CG2 4.2Å; I234-S264 VanDerWaalsContact CG2-CB 3.4Å; I234-C281 WeakPolarHBondContact CG2-SG 3.44Å; I234-Y282 CarbonylContact C-O 3.5Å; I234-Y282 VanDerWaalsContact CA-O 3.26Å; I234-Y282 WeakPolarHBondContact CA-O 3.36Å; I234-A283 HydrophobicContact CD1-CB 3.52Å |
| 235 | M | 93.3 | Very high | 87.4 | Confident | 92 Ų | 92 | 52 Ų | 52 | 45% | 0.453 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 135.5 | 173.5 | 179.5 | 175.7 | 56 | 0 | 0 | 111.1 | I237 Y282 | M235-I237 HydrophobicContact CE-CD1 3.96Å; M235-I237 HydrophobicContact CE-CG1 4.5Å; M235-I237 HydrophobicContact CG-CG1 4.42Å; M235-Y282 PolarHBondContact N-O 3.22Å; M235-Y282 PolarHBondContact O-N 3.27Å |
| 236 | W | 94.5 | Very high | 86 | Confident | 11 Ų | 11 | 54.1 Ų | 54.1 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 135.6 | 176.5 | -68.1 | 96.2 | 0 | 0 | 0 | 112.1 | I209 T222 C224 I243 S264 L266 W280 C281 F294 | I209-W236 HydrophobicContact CD1-CH2 3.99Å; I209-W236 HydrophobicContact CD1-CZ3 4.19Å; T222-W236 HydrophobicContact CG2-CH2 3.93Å; T222-W236 HydrophobicContact CG2-CZ2 4.48Å; T222-W236 HydrophobicContact CG2-CZ3 4.46Å; C224-W236 HydrophobicContact CB-CH2 3.61Å; C224-W236 HydrophobicContact CB-CZ2 3.41Å; C224-W236 VanDerWaalsContact CB-CZ2 3.41Å; W236-I243 HydrophobicContact CB-CD1 3.6Å; W236-I243 HydrophobicContact CB-CG1 4.09Å; W236-I243 HydrophobicContact CG-CD1 4.5Å; W236-I243 PolarHBondContact O-N 3.04Å; W236-S264 PolarHBondContact NE1-OG 3.45Å; W236-L266 HydrophobicContact CD2-CB 4.05Å; W236-L266 HydrophobicContact CD2-CD2 4.09Å; W236-L266 HydrophobicContact CE3-CD2 3.94Å; W236-L266 HydrophobicContact CG-CB 4.5Å; W236-L266 HydrophobicContact CH2-CB 4.31Å; W236-L266 HydrophobicContact CZ2-CB 3.84Å; W236-L266 HydrophobicContact CZ3-CD2 4.29Å; W236-W280 WeakPolarHBondContact CA-O 3.27Å; W236-C281 HydrophobicContact CD2-CB 4.43Å; W236-C281 HydrophobicContact CE3-CB 3.96Å; W236-C281 HydrophobicContact CH2-CB 4Å; W236-C281 HydrophobicContact CZ2-CB 4.44Å; W236-C281 HydrophobicContact CZ3-CB 3.7Å; W236-F294 HydrophobicContact CE3-CE1 4.46Å; W236-F294 HydrophobicContact CH2-CE1 4.21Å; W236-F294 HydrophobicContact CZ3-CD1 4.14Å; W236-F294 AromaticContact CZ3-CE1 3.62Å; W236-F294 HydrophobicContact CZ3-CE1 3.62Å |
| 237 | I | 92 | Very high | 84.7 | Confident | 27 Ų | 27 | 58.4 Ų | 58.4 | 14% | 0.138 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 136.9 | 179.5 | -64.1 | -172.3 | 0 | 0 | 0 | 109.5 | M235 K241 W280 Y282 | M235-I237 HydrophobicContact CE-CD1 3.96Å; M235-I237 HydrophobicContact CE-CG1 4.5Å; M235-I237 HydrophobicContact CG-CG1 4.42Å; I237-K241 CarbonylContact C-O 3.53Å; I237-K241 WeakPolarHBondContact CA-O 3.46Å; I237-K241 WeakPolarHBondContact CG2-O 3.32Å; I237-W280 HydrophobicContact CB-CB 4.35Å; I237-W280 PolarHBondContact N-O 3.06Å; I237-W280 PolarHBondContact O-N 2.66Å; I237-Y282 HydrophobicContact CB-CD2 4.31Å; I237-Y282 HydrophobicContact CB-CE2 3.94Å; I237-Y282 HydrophobicContact CD1-CD2 3.83Å; I237-Y282 HydrophobicContact CD1-CE2 3.58Å; I237-Y282 HydrophobicContact CG1-CD2 3.99Å; I237-Y282 HydrophobicContact CG1-CE2 3.94Å |
| 238 | R | 87.1 | Confident | 83.1 | Confident | 51 Ų | 51 | 65.1 Ų | 65.1 | 19% | 0.192 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 131.6 | 173.6 | 179 | -168.3 | 163.2 | 168.5 | 1.6 | 108.8 | G240 K241 I243 I274 D275 Y279 | R238-G240 PolarHBondContact O-N 3.49Å; R238-G240 VanDerWaalsContact O-N 3.08Å; R238-K241 PolarHBondContact N-O 2.83Å; R238-K241 PolarHBondContact O-N 2.91Å; R238-I243 HydrophobicContact CB-CD1 4.38Å; R238-I243 HydrophobicContact CB-CG1 3.94Å; R238-I274 PolarHBondContact NH2-O 3.43Å; R238-D275 IonicContact NH1-OD1 2.74Å; R238-D275 PolarHBondContact NH1-OD1 3.13Å; R238-Y279 HydrophobicContact CB-CD1 4.11Å; R238-Y279 HydrophobicContact CB-CE1 4.11Å; R238-Y279 HydrophobicContact CG-CD1 4.28Å; R238-Y279 HydrophobicContact CG-CE1 3.99Å; R238-Y279 HydrophobicContact CG-CE2 4.43Å; R238-Y279 PolarHBondContact NH1-OH 3.47Å |
| 239 | D | 74.7 | Confident | 82.4 | Confident | 110 Ų | 110 | 66.5 Ų | 66.5 | 59% | 0.588 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 35.5 | 177.7 | -55.8 | -43.3 | 0 | 0 | 0 | 113.8 | K241 | D239-K241 VanDerWaalsContact C-N 3.26Å; D239-K241 PolarHBondContact O-N 3.04Å |
| 240 | G | 75.6 | Confident | 82.4 | Confident | 70 Ų | 70 | 65.1 Ų | 65.1 | 72% | 0.722 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | 2.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | R238 | R238-G240 PolarHBondContact O-N 3.49Å; R238-G240 VanDerWaalsContact O-N 3.08Å |
| 241 | K | 76.6 | Confident | 82.5 | Confident | 163 Ų | 163 | 66 Ų | 66 | 71% | 0.709 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 145.5 | 176.3 | -64.8 | 179.1 | -177.6 | 175.3 | 0 | 110.9 | I237 R238 D239 I243 | I237-K241 CarbonylContact C-O 3.53Å; I237-K241 WeakPolarHBondContact CA-O 3.46Å; I237-K241 WeakPolarHBondContact CG2-O 3.32Å; R238-K241 PolarHBondContact N-O 2.83Å; R238-K241 PolarHBondContact O-N 2.91Å; D239-K241 VanDerWaalsContact C-N 3.26Å; D239-K241 PolarHBondContact O-N 3.04Å; K241-I243 PolarHBondContact O-N 2.69Å |
| 242 | S | 80.3 | Confident | 82.7 | Confident | 69 Ų | 69 | 66 Ų | 66 | 48% | 0.483 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 136 | 167.8 | 56.9 | 0 | 0 | 0 | 0 | 109 | N244 | S242-N244 PolarHBondContact O-N 3.49Å |
| 243 | I | 81.9 | Confident | 82.6 | Confident | 21 Ų | 21 | 70.4 Ų | 70.4 | 11% | 0.108 | 40% | 0.396 | C | S | . | . | trans | -62.4 | 127.5 | 178.2 | -55.9 | -175.2 | 0 | 0 | 0 | 109 | W236 R238 K241 L245 L250 L266 Y279 | W236-I243 HydrophobicContact CB-CD1 3.6Å; W236-I243 HydrophobicContact CB-CG1 4.09Å; W236-I243 HydrophobicContact CG-CD1 4.5Å; W236-I243 PolarHBondContact O-N 3.04Å; R238-I243 HydrophobicContact CB-CD1 4.38Å; R238-I243 HydrophobicContact CB-CG1 3.94Å; K241-I243 PolarHBondContact O-N 2.69Å; I243-L245 PolarHBondContact O-N 2.84Å; I243-L250 HydrophobicContact CB-CD2 4.4Å; I243-L250 HydrophobicContact CG2-CD1 3.24Å; I243-L250 HydrophobicContact CG2-CD2 3.28Å; I243-L250 HydrophobicContact CG2-CG 3.85Å; I243-L266 HydrophobicContact CD1-CD1 3.97Å; I243-L266 HydrophobicContact CD1-CD2 3.78Å; I243-Y279 HydrophobicContact CD1-CD1 3.82Å; I243-Y279 HydrophobicContact CD1-CE1 4.02Å | ||
| 244 | N | 73.5 | Confident | 82.7 | Confident | 77 Ų | 77 | 68.7 Ų | 68.7 | 41% | 0.412 | 39% | 0.386 | S | S | . | . | trans | -77.6 | 104.6 | -179.4 | -177 | 16.2 | 0 | 0 | 0 | 110.1 | S242 A246 D247 | S242-N244 PolarHBondContact O-N 3.49Å; N244-A246 PolarHBondContact O-N 3.07Å; N244-A246 VanDerWaalsContact O-N 3.08Å; N244-A246 VanDerWaalsContact OD1-CB 3.26Å; N244-A246 WeakPolarHBondContact OD1-CB 3.49Å; N244-A246 PolarHBondContact OD1-N 3.44Å; N244-A246 VanDerWaalsContact OD1-N 3.09Å; N244-D247 PolarHBondContact ND2-OD1 2.99Å; N244-D247 WeakPolarHBondContact O-CB 3.27Å; N244-D247 PolarHBondContact O-N 3.33Å | ||
| 245 | L | 73.9 | Confident | 82.5 | Confident | 56 Ų | 56 | 71.7 Ų | 71.7 | 29% | 0.293 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -9.8 | 176.3 | -64.5 | 163.7 | 0 | 0 | 0 | 113.4 | I243 D247 L250 V252 | I243-L245 PolarHBondContact O-N 2.84Å; L245-D247 VanDerWaalsContact C-N 3.3Å; L245-L250 HydrophobicContact CD2-CD2 3.92Å; L245-V252 HydrophobicContact CD2-CB 3.91Å; L245-V252 HydrophobicContact CD2-CG2 3.78Å |
| 246 | A | 69.1 | Low | 82.5 | Confident | 74 Ų | 74 | 72.9 Ų | 72.9 | 61% | 0.612 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -13.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N244 K248 | N244-A246 PolarHBondContact O-N 3.07Å; N244-A246 VanDerWaalsContact O-N 3.08Å; N244-A246 VanDerWaalsContact OD1-CB 3.26Å; N244-A246 WeakPolarHBondContact OD1-CB 3.49Å; N244-A246 PolarHBondContact OD1-N 3.44Å; N244-A246 VanDerWaalsContact OD1-N 3.09Å; A246-K248 PolarHBondContact O-N 3.32Å |
| 247 | D | 71 | Confident | 82.2 | Confident | 90 Ų | 90 | 79.3 Ų | 79.3 | 48% | 0.481 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -70 | 126.1 | 178.1 | -64.2 | -10.9 | 0 | 0 | 0 | 109.3 | N244 L245 G249 L250 | N244-D247 PolarHBondContact ND2-OD1 2.99Å; N244-D247 WeakPolarHBondContact O-CB 3.27Å; N244-D247 PolarHBondContact O-N 3.33Å; L245-D247 VanDerWaalsContact C-N 3.3Å; D247-G249 PolarHBondContact O-N 2.81Å; D247-L250 PolarHBondContact O-N 2.95Å |
| 248 | K | 62.5 | Low | 82 | Confident | 190 Ų | 190 | 80.8 Ų | 80.8 | 83% | 0.826 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 127.2 | -175.9 | -75.6 | -178.1 | 179.9 | 175.7 | 0 | 110.5 | A246 | A246-K248 PolarHBondContact O-N 3.32Š|
| 249 | G | 78.7 | Confident | 81.9 | Confident | 31 Ų | 31 | 84.1 Ų | 84.1 | 32% | 0.32 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.2 | -4.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D247 N269 | D247-G249 PolarHBondContact O-N 2.81Å; G249-N269 PolarHBondContact O-N 2.73Å; G249-N269 PolarHBondContact O-ND2 3.01Å |
| 250 | L | 86.7 | Confident | 82.5 | Confident | 20 Ų | 20 | 79.2 Ų | 79.2 | 11% | 0.105 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 127.3 | 177.9 | -169.1 | 132.4 | 0 | 0 | 0 | 111.8 | I243 L245 D247 L266 E267 I268 | I243-L250 HydrophobicContact CB-CD2 4.4Å; I243-L250 HydrophobicContact CG2-CD1 3.24Å; I243-L250 HydrophobicContact CG2-CD2 3.28Å; I243-L250 HydrophobicContact CG2-CG 3.85Å; L245-L250 HydrophobicContact CD2-CD2 3.92Å; D247-L250 PolarHBondContact O-N 2.95Å; L250-L266 HydrophobicContact CD1-CD1 4.2Å; L250-L266 HydrophobicContact CD2-CD1 4.36Å; L250-L266 HydrophobicContact CG-CD1 4.15Å; L250-E267 CarbonylContact C-O 3.53Å; L250-E267 VanDerWaalsContact CA-O 3.3Å; L250-E267 WeakPolarHBondContact CA-O 3.16Å; L250-I268 HydrophobicContact CD1-CD1 3.85Å; L250-I268 HydrophobicContact CD1-CG1 3.72Å; L250-I268 HydrophobicContact CD1-CG2 4.45Å; L250-I268 HydrophobicContact CG-CG1 4.33Å |
| 251 | T | 89.8 | Confident | 83.4 | Confident | 51 Ų | 51 | 78.7 Ų | 78.7 | 31% | 0.313 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 145.4 | 178.3 | 54.6 | 0 | 0 | 0 | 0 | 110.5 | E267 | T251-E267 PolarHBondContact N-O 3.34Å; T251-E267 PolarHBondContact O-N 3.08Å; T251-E267 WeakPolarHBondContact OG1-CB 3.37Å; T251-E267 PolarHBondContact OG1-OE2 2.86Å |
| 252 | V | 92.8 | Very high | 84.3 | Confident | 50 Ų | 50 | 71.2 Ų | 71.2 | 30% | 0.303 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 119.1 | 170.8 | 175.3 | 0 | 0 | 0 | 0 | 108 | L245 I265 L266 | L245-V252 HydrophobicContact CD2-CB 3.91Å; L245-V252 HydrophobicContact CD2-CG2 3.78Å; V252-I265 VanDerWaalsContact CA-O 3.29Å; V252-I265 WeakPolarHBondContact CA-O 3.24Å; V252-L266 HydrophobicContact CG2-CD1 3.78Å |
| 253 | E | 92.7 | Very high | 85.1 | Confident | 96 Ų | 96 | 69.1 Ų | 69.1 | 45% | 0.449 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 132.9 | 176.2 | -58.9 | -169.5 | 158.9 | 0 | 0 | 109.2 | F255 S264 I265 | E253-F255 HydrophobicContact CB-CD2 4.43Å; E253-F255 HydrophobicContact CB-CE2 3.45Å; E253-F255 VanDerWaalsContact CB-CE2 3.45Å; E253-F255 HydrophobicContact CB-CZ 3.68Å; E253-F255 HydrophobicContact CG-CZ 4.48Å; E253-F255 VanDerWaalsContact OE2-CZ 3.3Å; E253-F255 WeakPolarHBondContact OE2-CZ 3.38Å; E253-S264 CarbonylContact O-C 3.56Å; E253-S264 VanDerWaalsContact O-CA 3.31Å; E253-S264 WeakPolarHBondContact O-CA 3.5Å; E253-I265 PolarHBondContact N-O 2.9Å; E253-I265 PolarHBondContact O-N 3.02Å |
| 254 | T | 94 | Very high | 85.8 | Confident | 73 Ų | 73 | 68.1 Ų | 68.1 | 45% | 0.448 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 128.1 | -177.4 | -56.8 | 0 | 0 | 0 | 0 | 110.4 | I234 V262 E263 S264 | I234-T254 HydrophobicContact CG1-CG2 4.5Å; T254-V262 HydrophobicContact CG2-CG2 3.48Å; T254-V262 VanDerWaalsContact CG2-CG2 3.48Å; T254-E263 CarbonylContact C-O 3.57Å; T254-E263 WeakPolarHBondContact CA-O 3.32Å; T254-S264 PolarHBondContact OG1-OG 3.31Å |
| 255 | F | 92.7 | Very high | 86.9 | Confident | 84 Ų | 84 | 65.8 Ų | 65.8 | 37% | 0.368 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 127.9 | -172.4 | -54.3 | -82.2 | 0 | 0 | 0 | 110.6 | E253 R257 V262 E263 I265 | E253-F255 HydrophobicContact CB-CD2 4.43Å; E253-F255 HydrophobicContact CB-CE2 3.45Å; E253-F255 VanDerWaalsContact CB-CE2 3.45Å; E253-F255 HydrophobicContact CB-CZ 3.68Å; E253-F255 HydrophobicContact CG-CZ 4.48Å; E253-F255 VanDerWaalsContact OE2-CZ 3.3Å; E253-F255 WeakPolarHBondContact OE2-CZ 3.38Å; F255-R257 PolarHBondContact O-N 3.11Å; F255-V262 WeakPolarHBondContact O-CA 3.34Å; F255-E263 PolarHBondContact N-O 3.48Å; F255-E263 PolarHBondContact O-N 2.97Å; F255-I265 HydrophobicContact CD2-CD1 4.45Å; F255-I265 HydrophobicContact CE2-CD1 4.13Å |
| 256 | E | 91.5 | Very high | 87.9 | Confident | 116 Ų | 116 | 63.1 Ų | 63.1 | 54% | 0.542 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 110.3 | 165.6 | -174.3 | 170.6 | -161.1 | 0 | 0 | 108.6 | T231 S258 G260 | T231-E256 HydrophobicContact CG2-CG 4.12Å; T231-E256 PolarHBondContact OG1-OE1 3.23Å; E256-S258 WeakPolarHBondContact CG-O 3.26Å; E256-G260 PolarHBondContact OE1-N 2.7Å |
| 257 | R | 89.3 | Confident | 89.1 | Confident | 147 Ų | 147 | 62.3 Ų | 62.3 | 56% | 0.555 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -34 | -178.4 | -56.6 | -65.1 | -171.3 | 95.2 | -5.7 | 112 | F255 Y261 E263 | F255-R257 PolarHBondContact O-N 3.11Å; R257-Y261 HydrophobicContact CB-CD1 3.62Å; R257-Y261 HydrophobicContact CB-CE1 3.96Å; R257-Y261 HydrophobicContact CG-CD1 3.87Å; R257-Y261 HydrophobicContact CG-CE1 3.81Å; R257-Y261 PolarHBondContact N-O 3.44Å; R257-E263 HydrophobicContact CG-CB 4.23Å; R257-E263 IonicContact CZ-OE2 2.67Å; R257-E263 IonicContact NE-OE2 3.99Å; R257-E263 PolarHBondContact NE-OE2 2.94Å; R257-E263 VanDerWaalsContact NE-OE2 3.17Å; R257-E263 IonicContact NH1-OE2 3.53Å; R257-E263 PolarHBondContact NH1-OE2 2.83Å; R257-E263 IonicContact NH2-OE1 3.57Å; R257-E263 IonicContact NH2-OE2 2.84Å; R257-E263 PolarHBondContact NH2-OE2 2.83Å |
| 258 | S | 88.5 | Confident | 90.1 | Very high | 58 Ų | 58 | 58.4 Ų | 58.4 | 41% | 0.406 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 162.6 | 172.3 | 61 | 0 | 0 | 0 | 0 | 108.9 | E256 G260 Y261 | E256-S258 WeakPolarHBondContact CG-O 3.26Å; S258-G260 PolarHBondContact O-N 3.03Å; S258-G260 VanDerWaalsContact O-N 3.08Å; S258-Y261 PolarHBondContact O-N 2.83Å; S258-Y261 VanDerWaalsContact O-O 3.09Å; S258-Y261 VanDerWaalsContact OG-CB 3.3Å; S258-Y261 WeakPolarHBondContact OG-CB 3.23Å |
| 259 | P | 83.2 | Confident | 91.5 | Very high | 120 Ų | 120 | 52.8 Ų | 52.8 | 78% | 0.779 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 120.9 | 179.1 | -27 | 35.3 | 0 | 0 | 0 | 111.5 | Y261 | P259-Y261 VanDerWaalsContact C-N 3.32Å; P259-Y261 PolarHBondContact O-N 2.95Å |
| 260 | G | 87.6 | Confident | 92 | Very high | 7 Ų | 7 | 56.1 Ų | 56.1 | 7% | 0.072 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 7.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | T227 G228 T231 E256 S258 | T227-G260 CarbonylContact C-O 3.21Å; T227-G260 WeakPolarHBondContact CA-O 3.29Å; G228-G260 PolarHBondContact N-O 3.27Å; G228-G260 CarbonylContact O-C 3.49Å; G228-G260 WeakPolarHBondContact O-CA 3.36Å; T231-G260 WeakPolarHBondContact OG1-CA 3.34Å; T231-G260 PolarHBondContact OG1-N 3.4Å; E256-G260 PolarHBondContact OE1-N 2.7Å; S258-G260 PolarHBondContact O-N 3.03Å; S258-G260 VanDerWaalsContact O-N 3.08Å |
| 261 | Y | 94.5 | Very high | 92.1 | Very high | 59 Ų | 59 | 55.1 Ų | 55.1 | 23% | 0.231 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 116.3 | 171.9 | -176.2 | -77.8 | 0 | 0 | 0 | 109.3 | L225 T227 R257 S258 P259 | L225-Y261 WeakPolarHBondContact CD1-OH 3.35Å; L225-Y261 HydrophobicContact CD2-CE1 4.04Å; L225-Y261 VanDerWaalsContact CD2-OH 3.31Å; L225-Y261 WeakPolarHBondContact CD2-OH 3.44Å; T227-Y261 HydrophobicContact CG2-CD2 3.45Å; T227-Y261 VanDerWaalsContact CG2-CD2 3.45Å; T227-Y261 HydrophobicContact CG2-CE2 4.11Å; T227-Y261 HydrophobicContact CG2-CG 4.3Å; R257-Y261 HydrophobicContact CB-CD1 3.62Å; R257-Y261 HydrophobicContact CB-CE1 3.96Å; R257-Y261 HydrophobicContact CG-CD1 3.87Å; R257-Y261 HydrophobicContact CG-CE1 3.81Å; R257-Y261 PolarHBondContact N-O 3.44Å; S258-Y261 PolarHBondContact O-N 2.83Å; S258-Y261 VanDerWaalsContact O-O 3.09Å; S258-Y261 VanDerWaalsContact OG-CB 3.3Å; S258-Y261 WeakPolarHBondContact OG-CB 3.23Å; P259-Y261 VanDerWaalsContact C-N 3.32Å; P259-Y261 PolarHBondContact O-N 2.95Å |
| 262 | V | 96.4 | Very high | 92 | Very high | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.036 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 139.7 | -179 | 68.4 | 0 | 0 | 0 | 0 | 110.3 | A226 T231 P232 I234 T254 F255 | A226-V262 HydrophobicContact CB-CG1 3.86Å; A226-V262 PolarHBondContact N-O 2.96Å; A226-V262 PolarHBondContact O-N 3.31Å; T231-V262 HydrophobicContact CG2-CB 4.18Å; P232-V262 HydrophobicContact CG-CG1 3.76Å; I234-V262 HydrophobicContact CD1-CG1 3.76Å; I234-V262 HydrophobicContact CG1-CG1 3.71Å; I234-V262 HydrophobicContact CG1-CG2 4.2Å; T254-V262 HydrophobicContact CG2-CG2 3.48Å; T254-V262 VanDerWaalsContact CG2-CG2 3.48Å; F255-V262 WeakPolarHBondContact O-CA 3.34Å |
| 263 | E | 97.1 | Very high | 91.6 | Very high | 26 Ų | 26 | 58.1 Ų | 58.1 | 12% | 0.121 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 122.8 | 173.5 | 174.3 | 158.7 | -159.2 | 0 | 0 | 109.1 | S223 C224 L225 T254 F255 R257 I265 | S223-E263 WeakPolarHBondContact CB-OE1 3.3Å; S223-E263 VanDerWaalsContact OG-CD 3.28Å; S223-E263 VanDerWaalsContact OG-CG 3.23Å; S223-E263 WeakPolarHBondContact OG-CG 3.49Å; S223-E263 PolarHBondContact OG-OE1 2.74Å; C224-E263 WeakPolarHBondContact O-CA 3.12Å; L225-E263 HydrophobicContact CD2-CB 3.54Å; L225-E263 VanDerWaalsContact CD2-CD 3.41Å; L225-E263 HydrophobicContact CD2-CG 3.51Å; T254-E263 CarbonylContact C-O 3.57Å; T254-E263 WeakPolarHBondContact CA-O 3.32Å; F255-E263 PolarHBondContact N-O 3.48Å; F255-E263 PolarHBondContact O-N 2.97Å; R257-E263 HydrophobicContact CG-CB 4.23Å; R257-E263 IonicContact CZ-OE2 2.67Å; R257-E263 IonicContact NE-OE2 3.99Å; R257-E263 PolarHBondContact NE-OE2 2.94Å; R257-E263 VanDerWaalsContact NE-OE2 3.17Å; R257-E263 IonicContact NH1-OE2 3.53Å; R257-E263 PolarHBondContact NH1-OE2 2.83Å; R257-E263 IonicContact NH2-OE1 3.57Å; R257-E263 IonicContact NH2-OE2 2.84Å; R257-E263 PolarHBondContact NH2-OE2 2.83Å; E263-I265 HydrophobicContact CG-CG1 4.13Å |
| 264 | S | 97 | Very high | 91.3 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 123.4 | 172.9 | -169.3 | 0 | 0 | 0 | 0 | 110.1 | S223 C224 I234 W236 E253 T254 | S223-S264 CarbonylContact C-O 3.54Å; S223-S264 WeakPolarHBondContact CA-O 3.44Å; C224-S264 PolarHBondContact N-O 3.15Å; C224-S264 PolarHBondContact O-N 3.23Å; I234-S264 VanDerWaalsContact CG2-CB 3.4Å; W236-S264 PolarHBondContact NE1-OG 3.45Å; E253-S264 CarbonylContact O-C 3.56Å; E253-S264 VanDerWaalsContact O-CA 3.31Å; E253-S264 WeakPolarHBondContact O-CA 3.5Å; T254-S264 PolarHBondContact OG1-OG 3.31Å |
| 265 | I | 96.1 | Very high | 91 | Very high | 28 Ų | 28 | 57 Ų | 57 | 14% | 0.144 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 120.9 | -178.3 | -55.9 | 176.5 | 0 | 0 | 0 | 108.1 | T221 T222 V252 E253 F255 E263 E267 | T221-I265 HydrophobicContact CG2-CG2 3.8Å; T222-I265 CarbonylContact O-C 3.29Å; T222-I265 WeakPolarHBondContact O-CA 3.47Å; V252-I265 VanDerWaalsContact CA-O 3.29Å; V252-I265 WeakPolarHBondContact CA-O 3.24Å; E253-I265 PolarHBondContact N-O 2.9Å; E253-I265 PolarHBondContact O-N 3.02Å; F255-I265 HydrophobicContact CD2-CD1 4.45Å; F255-I265 HydrophobicContact CE2-CD1 4.13Å; E263-I265 HydrophobicContact CG-CG1 4.13Å; I265-E267 HydrophobicContact CG2-CG 3.89Å |
| 266 | L | 95.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 122.2 | 170.1 | 168.9 | 67.2 | 0 | 0 | 0 | 108.4 | T222 W236 I243 L250 V252 I268 Y279 F294 | T222-L266 HydrophobicContact CG2-CB 3.82Å; T222-L266 HydrophobicContact CG2-CD2 4.17Å; T222-L266 HydrophobicContact CG2-CG 4.28Å; T222-L266 PolarHBondContact N-O 2.9Å; T222-L266 PolarHBondContact O-N 2.89Å; W236-L266 HydrophobicContact CD2-CB 4.05Å; W236-L266 HydrophobicContact CD2-CD2 4.09Å; W236-L266 HydrophobicContact CE3-CD2 3.94Å; W236-L266 HydrophobicContact CG-CB 4.5Å; W236-L266 HydrophobicContact CH2-CB 4.31Å; W236-L266 HydrophobicContact CZ2-CB 3.84Å; W236-L266 HydrophobicContact CZ3-CD2 4.29Å; I243-L266 HydrophobicContact CD1-CD1 3.97Å; I243-L266 HydrophobicContact CD1-CD2 3.78Å; L250-L266 HydrophobicContact CD1-CD1 4.2Å; L250-L266 HydrophobicContact CD2-CD1 4.36Å; L250-L266 HydrophobicContact CG-CD1 4.15Å; V252-L266 HydrophobicContact CG2-CD1 3.78Å; L266-I268 HydrophobicContact CD1-CG1 4.31Å; L266-I268 HydrophobicContact CG-CG1 4.38Å; L266-Y279 HydrophobicContact CD2-CD1 3.81Å; L266-Y279 HydrophobicContact CD2-CE1 4.2Å; L266-F294 HydrophobicContact CD2-CZ 4.41Å |
| 267 | E | 94 | Very high | 90.9 | Very high | 56 Ų | 56 | 51.2 Ų | 51.2 | 26% | 0.262 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 138.5 | 172.2 | -39.3 | -173.4 | 133.9 | 0 | 0 | 111.3 | L220 T221 L250 T251 I265 | L220-E267 CarbonylContact O-C 3.55Å; L220-E267 WeakPolarHBondContact O-CA 3.21Å; T221-E267 HydrophobicContact CG2-CG 4.22Å; L250-E267 CarbonylContact C-O 3.53Å; L250-E267 VanDerWaalsContact CA-O 3.3Å; L250-E267 WeakPolarHBondContact CA-O 3.16Å; T251-E267 PolarHBondContact N-O 3.34Å; T251-E267 PolarHBondContact O-N 3.08Å; T251-E267 WeakPolarHBondContact OG1-CB 3.37Å; T251-E267 PolarHBondContact OG1-OE2 2.86Å; I265-E267 HydrophobicContact CG2-CG 3.89Å |
| 268 | I | 92.8 | Very high | 91.1 | Very high | 9 Ų | 9 | 48 Ų | 48 | 5% | 0.046 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 112.4 | 175 | -46.4 | -175.5 | 0 | 0 | 0 | 107.4 | S219 L220 L250 L266 L271 Y279 | S219-I268 CarbonylContact C-O 3.58Å; S219-I268 VanDerWaalsContact CA-O 3.24Å; S219-I268 WeakPolarHBondContact CA-O 3.44Å; L220-I268 HydrophobicContact CB-CB 4.1Å; L220-I268 HydrophobicContact CB-CG1 4.4Å; L220-I268 HydrophobicContact CD2-CD1 3.81Å; L220-I268 HydrophobicContact CD2-CG1 4Å; L220-I268 PolarHBondContact N-O 3.11Å; L220-I268 PolarHBondContact O-N 3.34Å; L250-I268 HydrophobicContact CD1-CD1 3.85Å; L250-I268 HydrophobicContact CD1-CG1 3.72Å; L250-I268 HydrophobicContact CD1-CG2 4.45Å; L250-I268 HydrophobicContact CG-CG1 4.33Å; L266-I268 HydrophobicContact CD1-CG1 4.31Å; L266-I268 HydrophobicContact CG-CG1 4.38Å; I268-L271 HydrophobicContact CB-CD2 4.06Å; I268-L271 HydrophobicContact CG2-CD2 3.9Å; I268-Y279 HydrophobicContact CD1-CE1 3.68Å; I268-Y279 WeakPolarHBondContact CD1-OH 3.39Å |
| 269 | N | 91.3 | Very high | 91.4 | Very high | 71 Ų | 71 | 45.2 Ų | 45.2 | 38% | 0.38 | 24% | 0.244 | S | C | . | . | trans | -88.7 | 145 | -179.1 | -67.1 | -63.4 | 0 | 0 | 0 | 111.9 | S219 G249 | S219-N269 WeakPolarHBondContact OG-CA 3.49Å; S219-N269 PolarHBondContact OG-OD1 2.95Å; G249-N269 PolarHBondContact O-N 2.73Å; G249-N269 PolarHBondContact O-ND2 3.01Å | ||
| 270 | N | 87.9 | Confident | 92 | Very high | 101 Ų | 101 | 42.5 Ų | 42.5 | 54% | 0.54 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 56 | 60.2 | 175.8 | -170.7 | 44.9 | 0 | 0 | 0 | 112.9 | G217 H218 I272 | G217-N270 WeakPolarHBondContact CA-OD1 3.5Å; H218-N270 PolarHBondContact O-N 3.5Å; N270-I272 PolarHBondContact O-N 3.16Å |
| 271 | L | 90.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -54.6 | 132.8 | -177.9 | -72.9 | 168.8 | 0 | 0 | 0 | 112.6 | L214 G217 H218 L220 I268 D275 L296 V298 | L214-L271 HydrophobicContact CB-CD1 3.73Å; L214-L271 HydrophobicContact CD1-CD1 3.5Å; L214-L271 HydrophobicContact CG-CD1 4.26Å; G217-L271 PolarHBondContact N-O 3.49Å; H218-L271 WeakPolarHBondContact O-CB 3.21Å; H218-L271 VanDerWaalsContact O-CG 3.27Å; H218-L271 WeakPolarHBondContact O-CG 3.46Å; H218-L271 PolarHBondContact O-N 2.86Å; L220-L271 HydrophobicContact CB-CD1 4.13Å; L220-L271 HydrophobicContact CB-CD2 4.25Å; I268-L271 HydrophobicContact CB-CD2 4.06Å; I268-L271 HydrophobicContact CG2-CD2 3.9Å; L271-D275 HydrophobicContact CD2-CB 3.9Å; L271-L296 HydrophobicContact CD2-CD2 3.81Å; L271-V298 HydrophobicContact CB-CG1 4.25Å; L271-V298 HydrophobicContact CB-CG2 4.15Å; L271-V298 HydrophobicContact CD1-CG2 4.41Å; L271-V298 HydrophobicContact CD2-CG2 4.34Å | ||
| 272 | I | 85.8 | Confident | 92.5 | Very high | 68 Ų | 68 | 41.5 Ų | 41.5 | 35% | 0.349 | 21% | 0.212 | S | C | . | . | trans | -111.1 | 162.2 | 172.7 | 55.5 | 172.7 | 0 | 0 | 0 | 110.6 | Y216 N270 I274 D275 | Y216-I272 HydrophobicContact CE2-CB 4.11Å; Y216-I272 HydrophobicContact CE2-CG2 3.78Å; N270-I272 PolarHBondContact O-N 3.16Å; I272-I274 HydrophobicContact CD1-CG2 3.32Å; I272-I274 HydrophobicContact CG1-CG2 3.61Å; I272-I274 PolarHBondContact O-N 2.93Å; I272-I274 VanDerWaalsContact O-N 3.12Å; I272-D275 VanDerWaalsContact CG1-OD2 3.23Å; I272-D275 WeakPolarHBondContact CG1-OD2 3.39Å; I272-D275 PolarHBondContact N-OD2 3.04Å; I272-D275 WeakPolarHBondContact O-CB 3.4Å; I272-D275 PolarHBondContact O-N 3.01Å | ||
| 273 | L | 84.9 | Confident | 92.5 | Very high | 95 Ų | 95 | 41.2 Ų | 41.2 | 50% | 0.497 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -56.2 | -35.1 | -174.7 | -69.6 | 173.8 | 0 | 0 | 0 | 113.1 | Y216 D275 T276 V298 P300 | Y216-L273 HydrophobicContact CD2-CG 4.42Å; L273-D275 PolarHBondContact O-N 3.41Å; L273-T276 VanDerWaalsContact O-CB 3.3Å; L273-T276 WeakPolarHBondContact O-CB 3.35Å; L273-T276 PolarHBondContact O-N 3.25Å; L273-T276 PolarHBondContact O-OG1 3.03Å; L273-V298 HydrophobicContact CD2-CG1 4.44Å; L273-P300 HydrophobicContact CD2-CB 4.49Å |
| 274 | I | 86.5 | Confident | 92.3 | Very high | 125 Ų | 125 | 43.6 Ų | 43.6 | 64% | 0.641 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -69.5 | -14.8 | 178.6 | -168.3 | 154.3 | 0 | 0 | 0 | 113 | R238 I272 T276 | R238-I274 PolarHBondContact NH2-O 3.43Å; I272-I274 HydrophobicContact CD1-CG2 3.32Å; I272-I274 HydrophobicContact CG1-CG2 3.61Å; I272-I274 PolarHBondContact O-N 2.93Å; I272-I274 VanDerWaalsContact O-N 3.12Å; I274-T276 PolarHBondContact O-N 2.98Å |
| 275 | D | 88.5 | Confident | 92 | Very high | 22 Ų | 22 | 44 Ų | 44 | 12% | 0.118 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -71.2 | -12.7 | 173.4 | -64.8 | -38.1 | 0 | 0 | 0 | 113.3 | R238 L271 I272 L273 G277 Y279 L296 V298 | R238-D275 IonicContact NH1-OD1 2.74Å; R238-D275 PolarHBondContact NH1-OD1 3.13Å; L271-D275 HydrophobicContact CD2-CB 3.9Å; I272-D275 VanDerWaalsContact CG1-OD2 3.23Å; I272-D275 WeakPolarHBondContact CG1-OD2 3.39Å; I272-D275 PolarHBondContact N-OD2 3.04Å; I272-D275 WeakPolarHBondContact O-CB 3.4Å; I272-D275 PolarHBondContact O-N 3.01Å; L273-D275 PolarHBondContact O-N 3.41Å; D275-G277 PolarHBondContact O-N 3.38Å; D275-Y279 PolarHBondContact O-OH 3.36Å; D275-L296 HydrophobicContact CB-CD2 4.34Å; D275-V298 HydrophobicContact CB-CG2 4.25Å |
| 276 | T | 90.2 | Very high | 91.3 | Very high | 62 Ų | 62 | 43.8 Ų | 43.8 | 38% | 0.38 | 23% | 0.226 | S | C | . | . | trans | -55.8 | 126.2 | 170.3 | -62.7 | 0 | 0 | 0 | 0 | 110.3 | L273 I274 L296 V298 | L273-T276 VanDerWaalsContact O-CB 3.3Å; L273-T276 WeakPolarHBondContact O-CB 3.35Å; L273-T276 PolarHBondContact O-N 3.25Å; L273-T276 PolarHBondContact O-OG1 3.03Å; I274-T276 PolarHBondContact O-N 2.98Å; T276-L296 WeakPolarHBondContact CA-O 3.48Å; T276-L296 WeakPolarHBondContact CG2-O 2.98Å; T276-V298 PolarHBondContact OG1-N 3.41Å | ||
| 277 | G | 91 | Very high | 90.8 | Very high | 15 Ų | 15 | 46.9 Ų | 46.9 | 16% | 0.155 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.2 | -177.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D275 L296 | D275-G277 PolarHBondContact O-N 3.38Å; G277-L296 PolarHBondContact N-O 3.45Å; G277-L296 PolarHBondContact O-N 3.04Å |
| 278 | E | 93.1 | Very high | 90.5 | Very high | 79 Ų | 79 | 45.3 Ų | 45.3 | 37% | 0.369 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 125.8 | 173.1 | -65.4 | -164.8 | 133.9 | 0 | 0 | 110.5 | K293 | E278-K293 IonicContact OE1-NZ 3.71Å; E278-K293 PolarHBondContact OE1-NZ 3.12Å |
| 279 | Y | 94.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 134.8 | 178.2 | -71 | -104.2 | 0 | 0 | 0 | 108.9 | R238 I243 L266 I268 D275 K293 F294 L296 | R238-Y279 HydrophobicContact CB-CD1 4.11Å; R238-Y279 HydrophobicContact CB-CE1 4.11Å; R238-Y279 HydrophobicContact CG-CD1 4.28Å; R238-Y279 HydrophobicContact CG-CE1 3.99Å; R238-Y279 HydrophobicContact CG-CE2 4.43Å; R238-Y279 PolarHBondContact NH1-OH 3.47Å; I243-Y279 HydrophobicContact CD1-CD1 3.82Å; I243-Y279 HydrophobicContact CD1-CE1 4.02Å; L266-Y279 HydrophobicContact CD2-CD1 3.81Å; L266-Y279 HydrophobicContact CD2-CE1 4.2Å; I268-Y279 HydrophobicContact CD1-CE1 3.68Å; I268-Y279 WeakPolarHBondContact CD1-OH 3.39Å; D275-Y279 PolarHBondContact O-OH 3.36Å; Y279-K293 VanDerWaalsContact O-CA 3.26Å; Y279-K293 WeakPolarHBondContact O-CA 3.03Å; Y279-F294 VanDerWaalsContact CB-CZ 3.44Å; Y279-F294 HydrophobicContact CD1-CZ 4.24Å; Y279-F294 HydrophobicContact CD2-CE2 4.27Å; Y279-F294 HydrophobicContact CD2-CZ 4.01Å; Y279-F294 AromaticContact CG-CE1 3.95Å; Y279-F294 HydrophobicContact CG-CE1 3.95Å; Y279-F294 HydrophobicContact CG-CE2 4.36Å; Y279-F294 AromaticContact CG-CZ 3.66Å; Y279-F294 HydrophobicContact CG-CZ 3.66Å; Y279-F294 PolarHBondContact N-O 2.95Å; Y279-F294 PolarHBondContact O-N 2.6Å; Y279-L296 HydrophobicContact CD2-CB 4.05Å; Y279-L296 HydrophobicContact CE2-CB 3.8Å; Y279-L296 HydrophobicContact CE2-CD2 3.92Å |
| 280 | W | 96.1 | Very high | 90.9 | Very high | 62 Ų | 62 | 46.2 Ų | 46.2 | 24% | 0.235 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 129.2 | -179 | -69.8 | 82.9 | 0 | 0 | 0 | 110.1 | W236 I237 Y282 K291 E292 K293 | W236-W280 WeakPolarHBondContact CA-O 3.27Å; I237-W280 HydrophobicContact CB-CB 4.35Å; I237-W280 PolarHBondContact N-O 3.06Å; I237-W280 PolarHBondContact O-N 2.66Å; W280-Y282 HydrophobicContact CB-CD2 4.09Å; W280-Y282 HydrophobicContact CB-CE2 3.46Å; W280-Y282 VanDerWaalsContact CB-CE2 3.46Å; W280-Y282 HydrophobicContact CG-CE2 4.23Å; W280-K291 HydrophobicContact CE3-CB 4.22Å; W280-K291 HydrophobicContact CE3-CD 4.07Å; W280-K291 HydrophobicContact CE3-CG 4.21Å; W280-K291 HydrophobicContact CZ3-CB 4.48Å; W280-K291 HydrophobicContact CZ3-CD 3.85Å; W280-K291 HydrophobicContact CZ3-CG 4Å; W280-E292 WeakPolarHBondContact CA-O 3.19Å; W280-K293 HydrophobicContact CD2-CB 3.75Å; W280-K293 HydrophobicContact CE3-CB 3.76Å; W280-K293 HydrophobicContact CG-CB 4.33Å; W280-K293 HydrophobicContact CH2-CB 4.08Å; W280-K293 HydrophobicContact CH2-CD 3.82Å; W280-K293 HydrophobicContact CH2-CG 4.18Å; W280-K293 HydrophobicContact CZ2-CB 4.07Å; W280-K293 HydrophobicContact CZ2-CD 3.65Å; W280-K293 HydrophobicContact CZ2-CG 4.32Å; W280-K293 HydrophobicContact CZ3-CB 3.91Å; W280-K293 HydrophobicContact CZ3-CD 4.47Å; W280-K293 HydrophobicContact CZ3-CG 4.34Å |
| 281 | C | 96.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 129.9 | 164 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | I209 C224 I234 W236 K291 E292 | I209-C281 HydrophobicContact CD1-CB 3.73Å; C224-C281 HydrophobicContact CB-CB 3.68Å; C224-C281 WeakPolarHBondContact CB-SG 3.36Å; C224-C281 WeakPolarHBondContact SG-CB 3.34Å; C224-C281 CovalentContact SG-SG 2.02Å; C224-C281 PolarHBondContact SG-SG 3.03Å; I234-C281 WeakPolarHBondContact CG2-SG 3.44Å; W236-C281 HydrophobicContact CD2-CB 4.43Å; W236-C281 HydrophobicContact CE3-CB 3.96Å; W236-C281 HydrophobicContact CH2-CB 4Å; W236-C281 HydrophobicContact CZ2-CB 4.44Å; W236-C281 HydrophobicContact CZ3-CB 3.7Å; C281-K291 CarbonylContact O-C 3.5Å; C281-K291 WeakPolarHBondContact O-CA 3.37Å; C281-E292 PolarHBondContact N-O 3.19Å; C281-E292 PolarHBondContact O-N 2.73Å |
| 282 | Y | 96.4 | Very high | 91.6 | Very high | 46 Ų | 46 | 49.9 Ų | 49.9 | 18% | 0.18 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 135.5 | 173.2 | -71.6 | -95.6 | 0 | 0 | 0 | 109.7 | I234 M235 I237 W280 L289 A290 K291 | I234-Y282 CarbonylContact C-O 3.5Å; I234-Y282 VanDerWaalsContact CA-O 3.26Å; I234-Y282 WeakPolarHBondContact CA-O 3.36Å; M235-Y282 PolarHBondContact N-O 3.22Å; M235-Y282 PolarHBondContact O-N 3.27Å; I237-Y282 HydrophobicContact CB-CD2 4.31Å; I237-Y282 HydrophobicContact CB-CE2 3.94Å; I237-Y282 HydrophobicContact CD1-CD2 3.83Å; I237-Y282 HydrophobicContact CD1-CE2 3.58Å; I237-Y282 HydrophobicContact CG1-CD2 3.99Å; I237-Y282 HydrophobicContact CG1-CE2 3.94Å; W280-Y282 HydrophobicContact CB-CD2 4.09Å; W280-Y282 HydrophobicContact CB-CE2 3.46Å; W280-Y282 VanDerWaalsContact CB-CE2 3.46Å; W280-Y282 HydrophobicContact CG-CE2 4.23Å; Y282-L289 HydrophobicContact CD1-CD1 4.08Å; Y282-L289 HydrophobicContact CD1-CD2 4.03Å; Y282-L289 HydrophobicContact CD1-CG 4.26Å; Y282-L289 HydrophobicContact CE1-CD2 4.33Å; Y282-A290 WeakPolarHBondContact CA-O 3.44Å; Y282-K291 HydrophobicContact CD1-CB 3.66Å; Y282-K291 HydrophobicContact CD1-CD 4.46Å; Y282-K291 HydrophobicContact CE1-CB 3.66Å; Y282-K291 HydrophobicContact CE1-CD 3.66Å; Y282-K291 HydrophobicContact CE1-CG 4.29Å; Y282-K291 HydrophobicContact CG-CB 4.27Å |
| 283 | A | 96.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 119.1 | 174 | 0 | 0 | 0 | 0 | 0 | 109.4 | P204 I206 A226 P232 T233 I234 L289 A290 | P204-A283 HydrophobicContact CB-CB 3.97Å; I206-A283 HydrophobicContact CD1-CB 3.59Å; I206-A283 HydrophobicContact CG1-CB 3.62Å; A226-A283 HydrophobicContact CB-CB 3.7Å; P232-A283 HydrophobicContact CB-CB 4.11Å; T233-A283 WeakPolarHBondContact O-CA 3.33Å; I234-A283 HydrophobicContact CD1-CB 3.52Å; A283-L289 WeakPolarHBondContact O-CA 3.23Å; A283-A290 PolarHBondContact N-O 2.91Å; A283-A290 PolarHBondContact O-N 2.85Å |
| 284 | E | 93.4 | Very high | 92.6 | Very high | 75 Ų | 75 | 46 Ų | 46 | 35% | 0.35 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 133.3 | -177.2 | -171.9 | 173.9 | -176.6 | 0 | 0 | 111.9 | K191 P232 T233 L289 | K191-E284 IonicContact NZ-OE1 2.72Å; K191-E284 PolarHBondContact NZ-OE1 2.92Å; P232-E284 CarbonylContact C-O 3.51Å; P232-E284 VanDerWaalsContact CA-O 3.24Å; P232-E284 WeakPolarHBondContact CA-O 3.32Å; T233-E284 PolarHBondContact N-O 2.84Å; T233-E284 PolarHBondContact O-N 2.82Å; E284-L289 HydrophobicContact CB-CD1 3.82Å; E284-L289 HydrophobicContact CG-CD1 4.26Å |
| 285 | N | 89.6 | Confident | 93 | Very high | 10 Ų | 10 | 42.4 Ų | 42.4 | 5% | 0.053 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | -176.3 | 163.9 | 78.8 | 9.6 | 0 | 0 | 0 | 110.6 | V202 P204 P230 P232 L287 G288 | V202-N285 PolarHBondContact O-ND2 3.32Å; P204-N285 VanDerWaalsContact CD-OD1 3.22Å; P204-N285 WeakPolarHBondContact CD-OD1 3.49Å; P204-N285 HydrophobicContact CG-CB 3.89Å; P204-N285 VanDerWaalsContact CG-CG 3.43Å; P230-N285 WeakPolarHBondContact O-CB 3.46Å; P230-N285 PolarHBondContact O-ND2 2.83Å; P232-N285 HydrophobicContact CB-CB 4.32Å; N285-L287 PolarHBondContact O-N 2.85Å; N285-L287 WeakPolarHBondContact OD1-CA 3.27Å; N285-L287 WeakPolarHBondContact OD1-CB 3.41Å; N285-L287 PolarHBondContact OD1-N 2.95Å; N285-G288 PolarHBondContact N-O 3.41Å; N285-G288 PolarHBondContact O-N 2.89Å; N285-G288 VanDerWaalsContact O-N 3.09Å; N285-G288 PolarHBondContact OD1-N 2.81Å |
| 286 | A | 81.3 | Confident | 93.3 | Very high | 23 Ų | 23 | 41.3 Ų | 41.3 | 19% | 0.19 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -23 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | K191 Y194 | K191-A286 HydrophobicContact CG-CB 4.11Å; Y194-A286 HydrophobicContact CD2-CB 3.56Å; Y194-A286 HydrophobicContact CE2-CB 4.44Å; Y194-A286 HydrophobicContact CG-CB 3.9Å |
| 287 | L | 84.8 | Confident | 93.5 | Very high | 64 Ų | 64 | 44 Ų | 44 | 34% | 0.335 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -9.9 | -178.6 | -59 | 106.5 | 0 | 0 | 0 | 113.5 | C201 K203 T229 N285 | C201-L287 HydrophobicContact CB-CD1 3.54Å; C201-L287 HydrophobicContact CB-CD2 3.7Å; C201-L287 HydrophobicContact CB-CG 4.24Å; K203-L287 HydrophobicContact CB-CB 4.35Å; T229-L287 WeakPolarHBondContact O-CD1 3.33Å; N285-L287 PolarHBondContact O-N 2.85Å; N285-L287 WeakPolarHBondContact OD1-CA 3.27Å; N285-L287 WeakPolarHBondContact OD1-CB 3.41Å; N285-L287 PolarHBondContact OD1-N 2.95Å |
| 288 | G | 88.2 | Confident | 93.7 | Very high | 23 Ų | 23 | 43.7 Ų | 43.7 | 24% | 0.237 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 149.7 | -161.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | P204 N285 | P204-G288 WeakPolarHBondContact CD-O 3.27Å; P204-G288 WeakPolarHBondContact CG-O 3.29Å; N285-G288 PolarHBondContact N-O 3.41Å; N285-G288 PolarHBondContact O-N 2.89Å; N285-G288 VanDerWaalsContact O-N 3.09Å; N285-G288 PolarHBondContact OD1-N 2.81Å |
| 289 | L | 94.3 | Very high | 93.5 | Very high | 81 Ų | 81 | 43.4 Ų | 43.4 | 42% | 0.424 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 137.7 | -172.9 | -172.9 | 74.6 | 0 | 0 | 0 | 110.6 | K203 Y282 A283 E284 | K203-L289 WeakPolarHBondContact CE-O 3.47Å; K203-L289 PolarHBondContact NZ-O 3.34Å; Y282-L289 HydrophobicContact CD1-CD1 4.08Å; Y282-L289 HydrophobicContact CD1-CD2 4.03Å; Y282-L289 HydrophobicContact CD1-CG 4.26Å; Y282-L289 HydrophobicContact CE1-CD2 4.33Å; A283-L289 WeakPolarHBondContact O-CA 3.23Å; E284-L289 HydrophobicContact CB-CD1 3.82Å; E284-L289 HydrophobicContact CG-CD1 4.26Å |
| 290 | A | 97.2 | Very high | 93 | Very high | 18 Ų | 18 | 47 Ų | 47 | 15% | 0.149 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 154 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | P204 I206 Y282 A283 | P204-A290 HydrophobicContact CB-CB 4.06Å; P204-A290 WeakPolarHBondContact O-CB 3.06Å; I206-A290 HydrophobicContact CD1-CB 4.03Å; I206-A290 HydrophobicContact CG1-CB 3.9Å; Y282-A290 WeakPolarHBondContact CA-O 3.44Å; A283-A290 PolarHBondContact N-O 2.91Å; A283-A290 PolarHBondContact O-N 2.85Å |
| 291 | K | 96.8 | Very high | 92.1 | Very high | 114 Ų | 114 | 46.8 Ų | 46.8 | 50% | 0.496 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 141.8 | 176.6 | 64.8 | -178.9 | -176.2 | 174.2 | 0 | 110 | W280 C281 Y282 | W280-K291 HydrophobicContact CE3-CB 4.22Å; W280-K291 HydrophobicContact CE3-CD 4.07Å; W280-K291 HydrophobicContact CE3-CG 4.21Å; W280-K291 HydrophobicContact CZ3-CB 4.48Å; W280-K291 HydrophobicContact CZ3-CD 3.85Å; W280-K291 HydrophobicContact CZ3-CG 4Å; C281-K291 CarbonylContact O-C 3.5Å; C281-K291 WeakPolarHBondContact O-CA 3.37Å; Y282-K291 HydrophobicContact CD1-CB 3.66Å; Y282-K291 HydrophobicContact CD1-CD 4.46Å; Y282-K291 HydrophobicContact CE1-CB 3.66Å; Y282-K291 HydrophobicContact CE1-CD 3.66Å; Y282-K291 HydrophobicContact CE1-CG 4.29Å; Y282-K291 HydrophobicContact CG-CB 4.27Å |
| 292 | E | 97.5 | Very high | 90.5 | Very high | 65 Ų | 65 | 53 Ų | 53 | 30% | 0.304 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 149.3 | 176.5 | -168 | 52.1 | -121.9 | 0 | 0 | 108.9 | I206 I209 W280 C281 | I206-E292 HydrophobicContact CB-CB 4.01Å; I206-E292 HydrophobicContact CD1-CB 4.37Å; I206-E292 HydrophobicContact CG2-CB 3.56Å; I206-E292 HydrophobicContact CG2-CG 4.29Å; I209-E292 HydrophobicContact CD1-CB 4.34Å; I209-E292 HydrophobicContact CD1-CG 4.4Å; I209-E292 HydrophobicContact CG1-CG 4.13Å; W280-E292 WeakPolarHBondContact CA-O 3.19Å; C281-E292 PolarHBondContact N-O 3.19Å; C281-E292 PolarHBondContact O-N 2.73Å |
| 293 | K | 95.6 | Very high | 88.6 | Confident | 80 Ų | 80 | 58.7 Ų | 58.7 | 35% | 0.348 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 152.9 | -178.5 | 71 | 168.7 | -169.7 | 167.4 | 0 | 112.1 | E278 Y279 W280 | E278-K293 IonicContact OE1-NZ 3.71Å; E278-K293 PolarHBondContact OE1-NZ 3.12Å; Y279-K293 VanDerWaalsContact O-CA 3.26Å; Y279-K293 WeakPolarHBondContact O-CA 3.03Å; W280-K293 HydrophobicContact CD2-CB 3.75Å; W280-K293 HydrophobicContact CE3-CB 3.76Å; W280-K293 HydrophobicContact CG-CB 4.33Å; W280-K293 HydrophobicContact CH2-CB 4.08Å; W280-K293 HydrophobicContact CH2-CD 3.82Å; W280-K293 HydrophobicContact CH2-CG 4.18Å; W280-K293 HydrophobicContact CZ2-CB 4.07Å; W280-K293 HydrophobicContact CZ2-CD 3.65Å; W280-K293 HydrophobicContact CZ2-CG 4.32Å; W280-K293 HydrophobicContact CZ3-CB 3.91Å; W280-K293 HydrophobicContact CZ3-CD 4.47Å; W280-K293 HydrophobicContact CZ3-CG 4.34Å |
| 294 | F | 96.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 151.7 | 161.7 | 77.7 | -80.9 | 0 | 0 | 0 | 110 | I209 L220 T222 W236 L266 Y279 L296 | I209-F294 HydrophobicContact CB-CB 4.02Å; I209-F294 HydrophobicContact CB-CD1 4.42Å; I209-F294 HydrophobicContact CD1-CD1 4.5Å; I209-F294 HydrophobicContact CG2-CB 3.72Å; I209-F294 HydrophobicContact CG2-CD1 3.7Å; I209-F294 HydrophobicContact CG2-CG 3.8Å; L220-F294 HydrophobicContact CD1-CE2 4.43Å; L220-F294 HydrophobicContact CD2-CE2 4.14Å; L220-F294 HydrophobicContact CD2-CZ 4.01Å; T222-F294 HydrophobicContact CG2-CE1 3.71Å; T222-F294 HydrophobicContact CG2-CE2 4.37Å; T222-F294 HydrophobicContact CG2-CZ 3.62Å; W236-F294 HydrophobicContact CE3-CE1 4.46Å; W236-F294 HydrophobicContact CH2-CE1 4.21Å; W236-F294 HydrophobicContact CZ3-CD1 4.14Å; W236-F294 AromaticContact CZ3-CE1 3.62Å; W236-F294 HydrophobicContact CZ3-CE1 3.62Å; L266-F294 HydrophobicContact CD2-CZ 4.41Å; Y279-F294 VanDerWaalsContact CB-CZ 3.44Å; Y279-F294 HydrophobicContact CD1-CZ 4.24Å; Y279-F294 HydrophobicContact CD2-CE2 4.27Å; Y279-F294 HydrophobicContact CD2-CZ 4.01Å; Y279-F294 AromaticContact CG-CE1 3.95Å; Y279-F294 HydrophobicContact CG-CE1 3.95Å; Y279-F294 HydrophobicContact CG-CE2 4.36Å; Y279-F294 AromaticContact CG-CZ 3.66Å; Y279-F294 HydrophobicContact CG-CZ 3.66Å; Y279-F294 PolarHBondContact N-O 2.95Å; Y279-F294 PolarHBondContact O-N 2.6Å; F294-L296 HydrophobicContact CE2-CB 4.14Å |
| 295 | T | 95.3 | Very high | 84.1 | Confident | 50 Ų | 50 | 64.6 Ų | 64.6 | 31% | 0.307 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 127.4 | 174.3 | -55.9 | 0 | 0 | 0 | 0 | 109.1 | N211 Q212 | N211-T295 PolarHBondContact OD1-N 2.7Å; Q212-T295 PolarHBondContact N-O 3.31Å |
| 296 | L | 95.2 | Very high | 82 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.2 | 168.7 | 178.7 | 63.1 | 0 | 0 | 0 | 108.8 | Q212 L214 L220 L271 D275 T276 G277 Y279 F294 V298 | Q212-L296 HydrophobicContact CB-CD1 4.03Å; Q212-L296 WeakPolarHBondContact O-CA 3.3Å; L214-L296 HydrophobicContact CD1-CD1 4.08Å; L214-L296 HydrophobicContact CG-CD1 4.4Å; L220-L296 HydrophobicContact CD1-CD1 4.28Å; L220-L296 HydrophobicContact CD2-CD1 4.38Å; L220-L296 HydrophobicContact CD2-CD2 3.88Å; L271-L296 HydrophobicContact CD2-CD2 3.81Å; D275-L296 HydrophobicContact CB-CD2 4.34Å; T276-L296 WeakPolarHBondContact CA-O 3.48Å; T276-L296 WeakPolarHBondContact CG2-O 2.98Å; G277-L296 PolarHBondContact N-O 3.45Å; G277-L296 PolarHBondContact O-N 3.04Å; Y279-L296 HydrophobicContact CD2-CB 4.05Å; Y279-L296 HydrophobicContact CE2-CB 3.8Å; Y279-L296 HydrophobicContact CE2-CD2 3.92Å; F294-L296 HydrophobicContact CE2-CB 4.14Å; L296-V298 HydrophobicContact CD2-CG2 4.27Å; L296-V298 HydrophobicContact CG-CG2 4.2Å |
| 297 | K | 94.4 | Very high | 80.2 | Confident | 119 Ų | 119 | 78.7 Ų | 78.7 | 52% | 0.517 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 112.7 | 170.7 | -172.3 | 178.5 | -177.6 | -179.6 | 0 | 109.7 | Q212 V213 L214 | Q212-K297 PolarHBondContact O-N 3.22Å; V213-K297 WeakPolarHBondContact CA-O 3.19Å; V213-K297 HydrophobicContact CG2-CB 4.3Å; L214-K297 PolarHBondContact N-O 3.01Å |
| 298 | V | 93.2 | Very high | 78.7 | Confident | 8 Ų | 8 | 80.6 Ų | 80.6 | 5% | 0.048 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 114.4 | 173.9 | -173.2 | 0 | 0 | 0 | 0 | 108.5 | L214 L271 L273 D275 T276 L296 | L214-V298 CarbonylContact O-C 3.59Å; L214-V298 VanDerWaalsContact O-CA 3.24Å; L214-V298 WeakPolarHBondContact O-CA 3.13Å; L271-V298 HydrophobicContact CB-CG1 4.25Å; L271-V298 HydrophobicContact CB-CG2 4.15Å; L271-V298 HydrophobicContact CD1-CG2 4.41Å; L271-V298 HydrophobicContact CD2-CG2 4.34Å; L273-V298 HydrophobicContact CD2-CG1 4.44Å; D275-V298 HydrophobicContact CB-CG2 4.25Å; T276-V298 PolarHBondContact OG1-N 3.41Å; L296-V298 HydrophobicContact CD2-CG2 4.27Å; L296-V298 HydrophobicContact CG-CG2 4.2Å |
| 299 | Q | 89.9 | Confident | 76.7 | Confident | 72 Ų | 72 | 82.4 Ų | 82.4 | 34% | 0.336 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 142.8 | 173.6 | -63.8 | -166.9 | 13.3 | 0 | 0 | 110 | V213 L214 E215 Y216 N301 | V213-Q299 HydrophobicContact CG1-CG 3.83Å; L214-Q299 PolarHBondContact O-N 2.85Å; E215-Q299 CarbonylContact C-O 3.45Å; E215-Q299 WeakPolarHBondContact CA-O 3.32Å; Y216-Q299 PolarHBondContact N-O 3.07Å; Q299-N301 PolarHBondContact O-N 3.34Å |
| 300 | P | 84.5 | Confident | 74.7 | Confident | 76 Ų | 76 | 83.5 Ų | 83.5 | 49% | 0.494 | 41% | 0.41 | S | S | . | . | trans | -57 | 142.7 | 165.2 | 28 | -33.8 | 0 | 0 | 0 | 108.4 | L273 N302 | L273-P300 HydrophobicContact CD2-CB 4.49Å; P300-N302 PolarHBondContact O-N 2.64Å | ||
| 301 | N | 76.5 | Confident | 72.7 | Confident | 59 Ų | 59 | 88.6 Ų | 88.6 | 32% | 0.316 | 44% | 0.435 | S | S | . | . | trans | -64.8 | 108.8 | 176.2 | -174.1 | -3.1 | 0 | 0 | 0 | 108.8 | Q299 R303 | Q299-N301 PolarHBondContact O-N 3.34Å; N301-R303 PolarHBondContact O-N 2.94Å; N301-R303 WeakPolarHBondContact OD1-CB 3.33Å; N301-R303 WeakPolarHBondContact OD1-CG 3.32Å; N301-R303 PolarHBondContact OD1-N 2.79Å | ||
| 302 | N | 63.8 | Low | 71.3 | Confident | 129 Ų | 129 | 86.5 Ų | 86.5 | 69% | 0.69 | 43% | 0.427 | S | S | * | . | trans | -76.8 | 9.3 | 173.7 | -84.7 | -10.2 | 0 | 0 | 0 | 112.7 | P300 T304 | P300-N302 PolarHBondContact O-N 2.64Å; N302-T304 PolarHBondContact O-N 2.81Å | ||
| 303 | R | 55.4 | Low | 70.1 | Confident | 166 Ų | 166 | 84.6 Ų | 84.6 | 63% | 0.626 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -63.7 | 78.3 | 147.8 | -63.9 | -178.6 | -173.4 | -168.4 | 0.6 | 106.8 | N301 E305 L308 | N301-R303 PolarHBondContact O-N 2.94Å; N301-R303 WeakPolarHBondContact OD1-CB 3.33Å; N301-R303 WeakPolarHBondContact OD1-CG 3.32Å; N301-R303 PolarHBondContact OD1-N 2.79Å; R303-E305 PolarHBondContact O-N 3.46Å; R303-L308 HydrophobicContact CB-CD1 4.26Å |
| 304 | T | 47.4 | Very low | 69.5 | Low | 61 Ų | 61 | 83.6 Ų | 83.6 | 37% | 0.374 | 42% | 0.419 | S | S | . | . | trans | -5.7 | 96.2 | 153.8 | 37.7 | 0 | 0 | 0 | 0 | 110.4 | N302 E306 K307 L308 | N302-T304 PolarHBondContact O-N 2.81Å; T304-E306 HydrophobicContact CG2-CB 4.22Å; T304-E306 PolarHBondContact O-N 2.84Å; T304-K307 HydrophobicContact CG2-CB 4.38Å; T304-K307 PolarHBondContact O-N 2.02Å; T304-K307 WeakPolarHBondContact OG1-CB 3.47Å; T304-L308 PolarHBondContact O-N 2.88Å | ||
| 305 | E | 48.5 | Very low | 69.1 | Low | 139 Ų | 139 | 87.9 Ų | 87.9 | 65% | 0.65 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -50.4 | -31 | 151.5 | -72.4 | -177 | 156.6 | 0 | 0 | 107.6 | R303 K307 M309 | R303-E305 PolarHBondContact O-N 3.46Å; E305-K307 PolarHBondContact O-N 2.92Å; E305-K307 VanDerWaalsContact O-N 3.1Å; E305-M309 HydrophobicContact CB-CG 4.09Å; E305-M309 HydrophobicContact CB-SD 3.78Å; E305-M309 HydrophobicContact CG-CG 4.34Å; E305-M309 HydrophobicContact CG-SD 3.81Å; E305-M309 VanDerWaalsContact O-CA 3.27Å; E305-M309 WeakPolarHBondContact O-CA 3.4Å; E305-M309 WeakPolarHBondContact O-CB 3.26Å; E305-M309 PolarHBondContact O-N 2.79Å |
| 306 | E | 46.5 | Very low | 68.6 | Low | 161 Ų | 161 | 86.3 Ų | 86.3 | 75% | 0.752 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -58.9 | -17.7 | 167.1 | -83.4 | -173.4 | 151.6 | 0 | 0 | 117.3 | T304 V310 | T304-E306 HydrophobicContact CG2-CB 4.22Å; T304-E306 PolarHBondContact O-N 2.84Å; E306-V310 VanDerWaalsContact O-CB 3.3Å; E306-V310 WeakPolarHBondContact O-CB 3.16Å; E306-V310 WeakPolarHBondContact O-CG2 3.48Å |
| 307 | K | 44 | Very low | 68.1 | Low | 168 Ų | 168 | 89 Ų | 89 | 73% | 0.73 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -120.6 | -22.4 | -177.5 | -150 | 177.8 | -175.8 | -180 | 0 | 113.6 | T304 E305 | T304-K307 HydrophobicContact CG2-CB 4.38Å; T304-K307 PolarHBondContact O-N 2.02Å; T304-K307 WeakPolarHBondContact OG1-CB 3.47Å; E305-K307 PolarHBondContact O-N 2.92Å; E305-K307 VanDerWaalsContact O-N 3.1Å |
| 308 | L | 53 | Low | 67.6 | Low | 104 Ų | 104 | 90 Ų | 90 | 55% | 0.545 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -94.1 | -35.9 | 168.1 | -80.2 | 163.2 | 0 | 0 | 0 | 112.2 | R303 T304 | R303-L308 HydrophobicContact CB-CD1 4.26Å; T304-L308 PolarHBondContact O-N 2.88Å |
| 309 | M | 46.4 | Very low | 67.1 | Low | 61 Ų | 61 | 98 Ų | 98 | 30% | 0.3 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -85.6 | -20.2 | 179.4 | -62.3 | -172.9 | 135.6 | 0 | 0 | 113.8 | E305 L313 | E305-M309 HydrophobicContact CB-CG 4.09Å; E305-M309 HydrophobicContact CB-SD 3.78Å; E305-M309 HydrophobicContact CG-CG 4.34Å; E305-M309 HydrophobicContact CG-SD 3.81Å; E305-M309 VanDerWaalsContact O-CA 3.27Å; E305-M309 WeakPolarHBondContact O-CA 3.4Å; E305-M309 WeakPolarHBondContact O-CB 3.26Å; E305-M309 PolarHBondContact O-N 2.79Å; M309-L313 HydrophobicContact CB-CD1 3.64Å; M309-L313 HydrophobicContact CE-CD1 4.43Å; M309-L313 HydrophobicContact CG-CD1 3.92Å; M309-L313 WeakPolarHBondContact O-CB 3.5Å; M309-L313 WeakPolarHBondContact O-CD1 3.3Å |
| 310 | V | 51.7 | Low | 66.9 | Low | 104 Ų | 104 | 97.6 Ų | 97.6 | 63% | 0.63 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -85.9 | -28.4 | -178 | -178.4 | 0 | 0 | 0 | 0 | 112.9 | E306 | E306-V310 VanDerWaalsContact O-CB 3.3Å; E306-V310 WeakPolarHBondContact O-CB 3.16Å; E306-V310 WeakPolarHBondContact O-CG2 3.48Å |
| 311 | D | 55.9 | Low | 66.9 | Low | 125 Ų | 125 | 100 Ų | 100 | 67% | 0.668 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -99.8 | -10.6 | -174.9 | -138.2 | 0.6 | 0 | 0 | 0 | 114.9 | K334 | D311-K334 WeakPolarHBondContact O-CE 3.26Å; D311-K334 PolarHBondContact O-NZ 2.85Å; D311-K334 IonicContact OD1-NZ 3.17Å |
| 312 | E | 66 | Low | 67.3 | Low | 69 Ų | 69 | 103.7 Ų | 103.7 | 32% | 0.322 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -117.7 | -11.4 | -179.7 | -144.9 | 169.5 | -167.5 | 0 | 0 | 115.1 | K334 N335 | E312-K334 HydrophobicContact CG-CB 4.38Å; E312-K334 PolarHBondContact O-N 2.9Å; E312-N335 PolarHBondContact OE1-ND2 2.85Å |
| 313 | L | 73.4 | Confident | 68.5 | Low | 25 Ų | 25 | 101 Ų | 101 | 13% | 0.131 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 120.9 | 176.1 | -68.1 | 163 | 0 | 0 | 0 | 110.6 | M309 Y331 T332 Y333 | M309-L313 HydrophobicContact CB-CD1 3.64Å; M309-L313 HydrophobicContact CE-CD1 4.43Å; M309-L313 HydrophobicContact CG-CD1 3.92Å; M309-L313 WeakPolarHBondContact O-CB 3.5Å; M309-L313 WeakPolarHBondContact O-CD1 3.3Å; L313-Y331 HydrophobicContact CB-CD1 4.33Å; L313-T332 WeakPolarHBondContact CA-O 3.36Å; L313-Y333 HydrophobicContact CD2-CD1 4.03Å; L313-Y333 HydrophobicContact CD2-CD2 3.98Å; L313-Y333 HydrophobicContact CD2-CE1 3.95Å; L313-Y333 HydrophobicContact CD2-CE2 3.88Å; L313-Y333 HydrophobicContact CD2-CG 4.05Å; L313-Y333 HydrophobicContact CG-CE1 4.45Å |
| 314 | V | 83.2 | Confident | 70.2 | Confident | 59 Ų | 59 | 93.6 Ų | 93.6 | 36% | 0.358 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 143.8 | 172.8 | -174.8 | 0 | 0 | 0 | 0 | 107.6 | C316 Y331 T332 K334 | V314-C316 PolarHBondContact O-N 2.95Å; V314-Y331 CarbonylContact O-C 3.55Å; V314-Y331 WeakPolarHBondContact O-CA 3.31Å; V314-T332 HydrophobicContact CB-CG2 4.5Å; V314-T332 PolarHBondContact N-O 3.06Å; V314-T332 PolarHBondContact O-N 3Å; V314-K334 HydrophobicContact CG2-CD 4.12Å; V314-K334 HydrophobicContact CG2-CG 3.49Å; V314-K334 VanDerWaalsContact CG2-CG 3.49Å |
| 315 | P | 86.5 | Confident | 72.3 | Confident | 90 Ų | 90 | 94 Ų | 94 | 58% | 0.584 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -50.6 | 139.1 | 168.3 | -25.2 | 34 | 0 | 0 | 0 | 110.7 | ||
| 316 | C | 86.1 | Confident | 74.3 | Confident | 18 Ų | 18 | 91.1 Ų | 91.1 | 12% | 0.122 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 155.1 | 176.9 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | V314 D320 C330 Y331 | V314-C316 PolarHBondContact O-N 2.95Å; C316-D320 HydrophobicContact CB-CB 4.11Å; C316-C330 HydrophobicContact CB-CB 3.63Å; C316-C330 WeakPolarHBondContact CB-SG 3.39Å; C316-C330 PolarHBondContact N-O 3.08Å; C316-C330 WeakPolarHBondContact SG-CB 3.29Å; C316-C330 PolarHBondContact SG-O 3.09Å; C316-C330 VanDerWaalsContact SG-O 3.42Å; C316-C330 CovalentContact SG-SG 2.04Å; C316-C330 PolarHBondContact SG-SG 3.04Å; C316-Y331 PolarHBondContact SG-N 3.27Å |
| 317 | S | 84.8 | Confident | 76.3 | Confident | 55 Ų | 55 | 86.3 Ų | 86.3 | 39% | 0.385 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 159.8 | 170.2 | 79.6 | 0 | 0 | 0 | 0 | 110.4 | E319 D320 K321 | S317-E319 PolarHBondContact O-N 2.89Å; S317-E319 VanDerWaalsContact O-N 3.14Å; S317-E319 PolarHBondContact OG-N 3.04Å; S317-D320 PolarHBondContact O-N 2.91Å; S317-D320 VanDerWaalsContact O-N 3.1Å; S317-D320 PolarHBondContact OG-N 3.24Å; S317-D320 PolarHBondContact OG-OD2 2.82Å; S317-K321 PolarHBondContact O-N 2.91Å |
| 318 | D | 83.9 | Confident | 78.4 | Confident | 140 Ų | 140 | 78.9 Ų | 78.9 | 75% | 0.749 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -20.8 | 176 | -73.8 | -47.1 | 0 | 0 | 0 | 112.6 | ||
| 319 | E | 82.1 | Confident | 80.3 | Confident | 178 Ų | 178 | 78.8 Ų | 78.8 | 83% | 0.832 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -33.7 | 175.5 | -61.3 | 179.5 | -176.8 | 0 | 0 | 112.4 | S317 | S317-E319 PolarHBondContact O-N 2.89Å; S317-E319 VanDerWaalsContact O-N 3.14Å; S317-E319 PolarHBondContact OG-N 3.04Å |
| 320 | D | 85.3 | Confident | 82.4 | Confident | 63 Ų | 63 | 76.6 Ų | 76.6 | 34% | 0.337 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 0.8 | -174.7 | -57.8 | -57.7 | 0 | 0 | 0 | 113.2 | C316 S317 D322 Y323 F340 | C316-D320 HydrophobicContact CB-CB 4.11Å; S317-D320 PolarHBondContact O-N 2.91Å; S317-D320 VanDerWaalsContact O-N 3.1Å; S317-D320 PolarHBondContact OG-N 3.24Å; S317-D320 PolarHBondContact OG-OD2 2.82Å; D320-D322 PolarHBondContact O-N 3.2Å; D320-D322 VanDerWaalsContact O-N 3.15Å; D320-Y323 WeakPolarHBondContact O-CB 3.47Å; D320-Y323 PolarHBondContact O-N 3.26Å; D320-F340 HydrophobicContact CB-CD1 4.47Å; D320-F340 HydrophobicContact CB-CE1 3.66Å; D320-F340 HydrophobicContact CB-CZ 3.98Å |
| 321 | K | 84.6 | Confident | 84.2 | Confident | 127 Ų | 127 | 74.4 Ų | 74.4 | 55% | 0.552 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -59.2 | -30.2 | -173.9 | -161.9 | 174.6 | -172.5 | 169.7 | 0 | 113.3 | S317 Y323 | S317-K321 PolarHBondContact O-N 2.91Å; K321-Y323 PolarHBondContact O-N 3.48Å |
| 322 | D | 84.8 | Confident | 85.5 | Confident | 135 Ų | 135 | 69.9 Ų | 69.9 | 72% | 0.722 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -79.8 | -0.8 | 178.3 | -66.1 | -22.7 | 0 | 0 | 0 | 113.6 | D320 C324 | D320-D322 PolarHBondContact O-N 3.2Å; D320-D322 VanDerWaalsContact O-N 3.15Å; D322-C324 VanDerWaalsContact C-N 3.26Å; D322-C324 PolarHBondContact O-N 3.35Å |
| 323 | Y | 89.2 | Confident | 86.3 | Confident | 74 Ų | 74 | 70 Ų | 70 | 29% | 0.29 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -58.1 | -43.5 | 173.4 | -179 | -94.3 | 0 | 0 | 0 | 110.7 | D320 K321 F340 C342 R352 | D320-Y323 WeakPolarHBondContact O-CB 3.47Å; D320-Y323 PolarHBondContact O-N 3.26Å; K321-Y323 PolarHBondContact O-N 3.48Å; Y323-F340 HydrophobicContact CD1-CB 3.43Å; Y323-F340 VanDerWaalsContact CD1-CB 3.43Å; Y323-F340 HydrophobicContact CD1-CD2 4.5Å; Y323-F340 HydrophobicContact CD1-CG 4.1Å; Y323-F340 HydrophobicContact CD2-CB 4.24Å; Y323-F340 AromaticContact CD2-CD2 3.8Å; Y323-F340 HydrophobicContact CD2-CD2 3.8Å; Y323-F340 HydrophobicContact CD2-CE2 4.47Å; Y323-F340 HydrophobicContact CD2-CG 4.19Å; Y323-F340 HydrophobicContact CE1-CB 3.38Å; Y323-F340 HydrophobicContact CE1-CG 4.32Å; Y323-F340 HydrophobicContact CE2-CB 4.18Å; Y323-F340 AromaticContact CE2-CD2 3.87Å; Y323-F340 HydrophobicContact CE2-CD2 3.87Å; Y323-F340 HydrophobicContact CE2-CG 4.38Å; Y323-F340 HydrophobicContact CG-CB 3.89Å; Y323-F340 HydrophobicContact CG-CD2 4.13Å; Y323-F340 HydrophobicContact CG-CG 4.04Å; Y323-C342 VanDerWaalsContact CD1-SG 3.56Å; Y323-R352 HydrophobicContact CD1-CG 4.48Å; Y323-R352 HydrophobicContact CE1-CG 3.85Å; Y323-R352 VanDerWaalsContact O-CZ 3.24Å; Y323-R352 PolarHBondContact O-NE 3.33Å; Y323-R352 PolarHBondContact O-NH2 3.11Å |
| 324 | C | 91.6 | Very high | 86.2 | Confident | 10 Ų | 10 | 74.5 Ų | 74.5 | 7% | 0.068 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -86.9 | 128.7 | 175.7 | -56.3 | 0 | 0 | 0 | 0 | 110.8 | D322 G328 C330 C342 | D322-C324 VanDerWaalsContact C-N 3.26Å; D322-C324 PolarHBondContact O-N 3.35Å; C324-G328 WeakPolarHBondContact CB-O 3.31Å; C324-C330 HydrophobicContact CB-CB 4.32Å; C324-C330 WeakPolarHBondContact SG-CA 3.42Å; C324-C330 WeakPolarHBondContact SG-CB 3.44Å; C324-C342 WeakPolarHBondContact CA-SG 3.45Å; C324-C342 HydrophobicContact CB-CB 3.84Å; C324-C342 WeakPolarHBondContact CB-SG 3.2Å; C324-C342 WeakPolarHBondContact SG-CA 3.47Å; C324-C342 WeakPolarHBondContact SG-CB 3.3Å; C324-C342 CovalentContact SG-SG 2.03Å; C324-C342 PolarHBondContact SG-SG 3.32Å |
| 325 | L | 91 | Very high | 85.5 | Confident | 68 Ų | 68 | 78 Ų | 78 | 36% | 0.356 | 41% | 0.412 | S | S | . | . | trans | -90.5 | 167.7 | -177.7 | -56.4 | 175.9 | 0 | 0 | 0 | 110.9 | G327 G328 R352 C353 H354 | L325-G327 VanDerWaalsContact C-N 3.25Å; L325-G327 PolarHBondContact O-N 2.87Å; L325-G327 VanDerWaalsContact O-N 3.14Å; L325-G328 PolarHBondContact O-N 3.2Å; L325-R352 WeakPolarHBondContact CB-O 3.19Å; L325-R352 PolarHBondContact N-O 3.31Å; L325-C353 WeakPolarHBondContact O-CB 3.36Å; L325-H354 HydrophobicContact CD1-CB 4.12Å | ||
| 326 | N | 90.9 | Very high | 84.5 | Confident | 79 Ų | 79 | 79.2 Ų | 79.2 | 42% | 0.422 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 35 | 171.5 | -57.6 | -44.9 | 0 | 0 | 0 | 115.1 | G328 Y348 C353 | N326-G328 VanDerWaalsContact C-N 3.34Å; N326-Y348 HydrophobicContact CB-CD1 3.67Å; N326-Y348 HydrophobicContact CB-CD2 4.04Å; N326-Y348 HydrophobicContact CB-CE1 3.49Å; N326-Y348 VanDerWaalsContact CB-CE1 3.49Å; N326-Y348 HydrophobicContact CB-CE2 3.89Å; N326-Y348 HydrophobicContact CB-CG 3.94Å; N326-Y348 WeakPolarHBondContact ND2-CD1 3.24Å; N326-Y348 VanDerWaalsContact ND2-CE1 3.28Å; N326-Y348 WeakPolarHBondContact ND2-CE1 3.29Å; N326-C353 PolarHBondContact ND2-O 2.98Å |
| 327 | G | 87.3 | Confident | 83.2 | Confident | 60 Ų | 60 | 89.8 Ų | 89.8 | 62% | 0.619 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 13.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L325 L345 | L325-G327 VanDerWaalsContact C-N 3.25Å; L325-G327 PolarHBondContact O-N 2.87Å; L325-G327 VanDerWaalsContact O-N 3.14Å; G327-L345 WeakPolarHBondContact O-CD1 2.92Å |
| 328 | G | 89.3 | Confident | 82.4 | Confident | 13 Ų | 13 | 93.1 Ų | 93.1 | 13% | 0.134 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 141.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | C324 L325 N326 R343 | C324-G328 WeakPolarHBondContact CB-O 3.31Å; L325-G328 PolarHBondContact O-N 3.2Å; N326-G328 VanDerWaalsContact C-N 3.34Å; G328-R343 CarbonylContact C-O 3.59Å; G328-R343 VanDerWaalsContact CA-O 3.32Å; G328-R343 WeakPolarHBondContact CA-O 2.99Å |
| 329 | Q | 91.5 | Very high | 82.1 | Confident | 102 Ų | 102 | 87.9 Ų | 87.9 | 48% | 0.477 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 123.9 | 176.3 | -63.5 | 174.3 | -25.6 | 0 | 0 | 109.6 | Y331 C342 R343 | Q329-Y331 HydrophobicContact CB-CE2 3.74Å; Q329-Y331 PolarHBondContact OE1-OH 3.41Å; Q329-C342 WeakPolarHBondContact O-CA 3.28Å; Q329-R343 HydrophobicContact CB-CB 4.29Å; Q329-R343 PolarHBondContact N-O 3.38Å; Q329-R343 PolarHBondContact O-N 3.02Å |
| 330 | C | 91.8 | Very high | 82.2 | Confident | 14 Ų | 14 | 81.8 Ų | 81.8 | 10% | 0.095 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 130.6 | -179.3 | -174.3 | 0 | 0 | 0 | 0 | 111.8 | C316 C324 | C316-C330 HydrophobicContact CB-CB 3.63Å; C316-C330 WeakPolarHBondContact CB-SG 3.39Å; C316-C330 PolarHBondContact N-O 3.08Å; C316-C330 WeakPolarHBondContact SG-CB 3.29Å; C316-C330 PolarHBondContact SG-O 3.09Å; C316-C330 VanDerWaalsContact SG-O 3.42Å; C316-C330 CovalentContact SG-SG 2.04Å; C316-C330 PolarHBondContact SG-SG 3.04Å; C324-C330 HydrophobicContact CB-CB 4.32Å; C324-C330 WeakPolarHBondContact SG-CA 3.42Å; C324-C330 WeakPolarHBondContact SG-CB 3.44Å |
| 331 | Y | 88.3 | Confident | 82.2 | Confident | 58 Ų | 58 | 82.4 Ų | 82.4 | 23% | 0.227 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 148.7 | 173.8 | -59.9 | -86.2 | 0 | 0 | 0 | 111.6 | L313 V314 C316 Q329 F340 Q341 R343 | L313-Y331 HydrophobicContact CB-CD1 4.33Å; V314-Y331 CarbonylContact O-C 3.55Å; V314-Y331 WeakPolarHBondContact O-CA 3.31Å; C316-Y331 PolarHBondContact SG-N 3.27Å; Q329-Y331 HydrophobicContact CB-CE2 3.74Å; Q329-Y331 PolarHBondContact OE1-OH 3.41Å; Y331-F340 WeakPolarHBondContact O-CA 3.49Å; Y331-Q341 PolarHBondContact N-O 3.29Å; Y331-Q341 PolarHBondContact O-N 3.06Å; Y331-R343 HydrophobicContact CE2-CB 3.93Å |
| 332 | T | 84.6 | Confident | 82.5 | Confident | 30 Ų | 30 | 77.4 Ų | 77.4 | 18% | 0.184 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 147.7 | 175 | -173.8 | 0 | 0 | 0 | 0 | 110.5 | L313 V314 | L313-T332 WeakPolarHBondContact CA-O 3.36Å; V314-T332 HydrophobicContact CB-CG2 4.5Å; V314-T332 PolarHBondContact N-O 3.06Å; V314-T332 PolarHBondContact O-N 3Å |
| 333 | Y | 80.9 | Confident | 82.6 | Confident | 71 Ų | 71 | 78.9 Ų | 78.9 | 28% | 0.278 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 131.8 | 176.7 | -73.3 | -90.9 | 0 | 0 | 0 | 110.7 | L313 N335 E336 S339 Q341 | L313-Y333 HydrophobicContact CD2-CD1 4.03Å; L313-Y333 HydrophobicContact CD2-CD2 3.98Å; L313-Y333 HydrophobicContact CD2-CE1 3.95Å; L313-Y333 HydrophobicContact CD2-CE2 3.88Å; L313-Y333 HydrophobicContact CD2-CG 4.05Å; L313-Y333 HydrophobicContact CG-CE1 4.45Å; Y333-N335 PolarHBondContact O-N 3.31Å; Y333-E336 PolarHBondContact O-N 2.81Å; Y333-S339 WeakPolarHBondContact CD2-OG 3.22Å; Y333-Q341 PolarHBondContact OH-OE1 2.9Å |
| 334 | K | 72.8 | Confident | 82.6 | Confident | 120 Ų | 120 | 77 Ų | 77 | 52% | 0.522 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -33.3 | 177.3 | -73.5 | 179.4 | -177.7 | 165.8 | 0 | 113.3 | D311 E312 V314 | D311-K334 WeakPolarHBondContact O-CE 3.26Å; D311-K334 PolarHBondContact O-NZ 2.85Å; D311-K334 IonicContact OD1-NZ 3.17Å; E312-K334 HydrophobicContact CG-CB 4.38Å; E312-K334 PolarHBondContact O-N 2.9Å; V314-K334 HydrophobicContact CG2-CD 4.12Å; V314-K334 HydrophobicContact CG2-CG 3.49Å; V314-K334 VanDerWaalsContact CG2-CG 3.49Å |
| 335 | N | 68.7 | Low | 82.4 | Confident | 132 Ų | 132 | 80.9 Ų | 80.9 | 71% | 0.706 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -5.7 | -173.1 | -72.3 | -27.5 | 0 | 0 | 0 | 114.7 | E312 Y333 | E312-N335 PolarHBondContact OE1-ND2 2.85Å; Y333-N335 PolarHBondContact O-N 3.31Å |
| 336 | E | 65.7 | Low | 81.9 | Confident | 116 Ų | 116 | 85 Ų | 85 | 54% | 0.542 | 43% | 0.427 | S | S | . | . | trans | -131.7 | 110.9 | -177.7 | -66.1 | -174.4 | 167.3 | 0 | 0 | 111 | Y333 V338 S339 | Y333-E336 PolarHBondContact O-N 2.81Å; E336-V338 PolarHBondContact O-N 2.98Å; E336-S339 VanDerWaalsContact CB-OG 3.32Å; E336-S339 WeakPolarHBondContact CB-OG 3.37Å; E336-S339 WeakPolarHBondContact OE2-CB 3.24Å; E336-S339 PolarHBondContact OE2-OG 3.1Å | ||
| 337 | R | 58.4 | Low | 81.5 | Confident | 240 Ų | 240 | 86.6 Ų | 86.6 | 91% | 0.906 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -1.5 | -175.8 | -59.5 | -165.7 | -154 | -172.6 | 6.3 | 115.4 | ||
| 338 | V | 66.7 | Low | 81.4 | Confident | 126 Ų | 126 | 87.2 Ų | 87.2 | 76% | 0.764 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.5 | 5.6 | -166.6 | -159.3 | 0 | 0 | 0 | 0 | 113.8 | E336 | E336-V338 PolarHBondContact O-N 2.98Š|
| 339 | S | 77.7 | Confident | 81.2 | Confident | 30 Ų | 30 | 90.1 Ų | 90.1 | 21% | 0.21 | 43% | 0.425 | C | S | . | . | trans | -103.9 | 112.2 | 173.2 | 50 | 0 | 0 | 0 | 0 | 110 | Y333 E336 | Y333-S339 WeakPolarHBondContact CD2-OG 3.22Å; E336-S339 VanDerWaalsContact CB-OG 3.32Å; E336-S339 WeakPolarHBondContact CB-OG 3.37Å; E336-S339 WeakPolarHBondContact OE2-CB 3.24Å; E336-S339 PolarHBondContact OE2-OG 3.1Å | ||
| 340 | F | 84.1 | Confident | 80.8 | Confident | 49 Ų | 49 | 86.7 Ų | 86.7 | 22% | 0.215 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 139.1 | 174.8 | -59.3 | -71.8 | 0 | 0 | 0 | 109.5 | D320 Y323 Y331 | D320-F340 HydrophobicContact CB-CD1 4.47Å; D320-F340 HydrophobicContact CB-CE1 3.66Å; D320-F340 HydrophobicContact CB-CZ 3.98Å; Y323-F340 HydrophobicContact CD1-CB 3.43Å; Y323-F340 VanDerWaalsContact CD1-CB 3.43Å; Y323-F340 HydrophobicContact CD1-CD2 4.5Å; Y323-F340 HydrophobicContact CD1-CG 4.1Å; Y323-F340 HydrophobicContact CD2-CB 4.24Å; Y323-F340 AromaticContact CD2-CD2 3.8Å; Y323-F340 HydrophobicContact CD2-CD2 3.8Å; Y323-F340 HydrophobicContact CD2-CE2 4.47Å; Y323-F340 HydrophobicContact CD2-CG 4.19Å; Y323-F340 HydrophobicContact CE1-CB 3.38Å; Y323-F340 HydrophobicContact CE1-CG 4.32Å; Y323-F340 HydrophobicContact CE2-CB 4.18Å; Y323-F340 AromaticContact CE2-CD2 3.87Å; Y323-F340 HydrophobicContact CE2-CD2 3.87Å; Y323-F340 HydrophobicContact CE2-CG 4.38Å; Y323-F340 HydrophobicContact CG-CB 3.89Å; Y323-F340 HydrophobicContact CG-CD2 4.13Å; Y323-F340 HydrophobicContact CG-CG 4.04Å; Y331-F340 WeakPolarHBondContact O-CA 3.49Å |
| 341 | Q | 87 | Confident | 80.5 | Confident | 77 Ų | 77 | 92.7 Ų | 92.7 | 36% | 0.36 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 127.8 | 177.3 | -170.1 | 154.6 | 2.8 | 0 | 0 | 110.2 | Y331 Y333 | Y331-Q341 PolarHBondContact N-O 3.29Å; Y331-Q341 PolarHBondContact O-N 3.06Å; Y333-Q341 PolarHBondContact OH-OE1 2.9Å |
| 342 | C | 89.7 | Confident | 80.5 | Confident | 22 Ų | 22 | 94.3 Ų | 94.3 | 15% | 0.149 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 132.1 | -178.3 | -63.8 | 0 | 0 | 0 | 0 | 111.7 | Y323 C324 Q329 D351 | Y323-C342 VanDerWaalsContact CD1-SG 3.56Å; C324-C342 WeakPolarHBondContact CA-SG 3.45Å; C324-C342 HydrophobicContact CB-CB 3.84Å; C324-C342 WeakPolarHBondContact CB-SG 3.2Å; C324-C342 WeakPolarHBondContact SG-CA 3.47Å; C324-C342 WeakPolarHBondContact SG-CB 3.3Å; C324-C342 CovalentContact SG-SG 2.03Å; C324-C342 PolarHBondContact SG-SG 3.32Å; Q329-C342 WeakPolarHBondContact O-CA 3.28Å; C342-D351 WeakPolarHBondContact CB-O 3.42Å; C342-D351 PolarHBondContact SG-O 2.79Å; C342-D351 VanDerWaalsContact SG-O 3.41Å |
| 343 | R | 86.6 | Confident | 80.7 | Confident | 166 Ų | 166 | 92.9 Ų | 92.9 | 63% | 0.626 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 114.8 | 163.5 | -176.5 | -179.6 | 179.5 | 168.6 | 2.9 | 109.1 | G328 Q329 Y331 | G328-R343 CarbonylContact C-O 3.59Å; G328-R343 VanDerWaalsContact CA-O 3.32Å; G328-R343 WeakPolarHBondContact CA-O 2.99Å; Q329-R343 HydrophobicContact CB-CB 4.29Å; Q329-R343 PolarHBondContact N-O 3.38Å; Q329-R343 PolarHBondContact O-N 3.02Å; Y331-R343 HydrophobicContact CE2-CB 3.93Å |
| 344 | C | 89.8 | Confident | 81.1 | Confident | 34 Ų | 34 | 93.7 Ų | 93.7 | 23% | 0.23 | 45% | 0.451 | C | S | . | . | trans | -84.9 | 155.3 | -178.6 | -51.2 | 0 | 0 | 0 | 0 | 111.9 | Y348 C353 | C344-Y348 WeakPolarHBondContact CB-O 3.45Å; C344-C353 WeakPolarHBondContact CA-SG 3.4Å; C344-C353 HydrophobicContact CB-CB 3.76Å; C344-C353 WeakPolarHBondContact CB-SG 3.43Å; C344-C353 WeakPolarHBondContact SG-CA 3.3Å; C344-C353 WeakPolarHBondContact SG-CB 2.76Å; C344-C353 CovalentContact SG-SG 2.03Å; C344-C353 PolarHBondContact SG-SG 3.32Å | ||
| 345 | L | 88.4 | Confident | 81.6 | Confident | 92 Ų | 92 | 92.8 Ų | 92.8 | 48% | 0.482 | 45% | 0.448 | S | S | . | . | trans | -68.2 | 159.2 | 164.7 | -79.5 | 80.8 | 0 | 0 | 0 | 109.7 | G327 H347 Y348 | G327-L345 WeakPolarHBondContact O-CD1 2.92Å; L345-H347 PolarHBondContact O-N 3.28Å; L345-Y348 HydrophobicContact CB-CD2 4.46Å; L345-Y348 PolarHBondContact O-N 2.63Å; L345-Y348 VanDerWaalsContact O-O 3.13Å | ||
| 346 | D | 80.4 | Confident | 82.2 | Confident | 154 Ų | 154 | 89.8 Ų | 89.8 | 82% | 0.824 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -20.9 | -174.9 | -61.3 | -22.2 | 0 | 0 | 0 | 114.9 | ||
| 347 | H | 81.8 | Confident | 82.7 | Confident | 113 Ų | 113 | 85.6 Ų | 85.6 | 52% | 0.523 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 1.7 | -179.5 | -54.7 | -54.3 | 0 | 0 | 0 | 114.9 | L345 H356 T357 | L345-H347 PolarHBondContact O-N 3.28Å; H347-H356 CarbonylContact O-C 3.55Å; H347-H356 WeakPolarHBondContact O-CA 3.24Å; H347-H356 PolarHBondContact O-CD2 2.94Å; H347-H356 VanDerWaalsContact O-CD2 3.24Å; H347-T357 WeakPolarHBondContact CA-OG1 3.31Å; H347-T357 PolarHBondContact O-N 3.17Å; H347-T357 PolarHBondContact O-OG1 2.97Å |
| 348 | Y | 86.3 | Confident | 83.4 | Confident | 73 Ų | 73 | 78.7 Ų | 78.7 | 29% | 0.286 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 147.9 | 179.1 | -67.2 | -86.1 | 0 | 0 | 0 | 111.7 | N326 C344 L345 F355 H356 | N326-Y348 HydrophobicContact CB-CD1 3.67Å; N326-Y348 HydrophobicContact CB-CD2 4.04Å; N326-Y348 HydrophobicContact CB-CE1 3.49Å; N326-Y348 VanDerWaalsContact CB-CE1 3.49Å; N326-Y348 HydrophobicContact CB-CE2 3.89Å; N326-Y348 HydrophobicContact CB-CG 3.94Å; N326-Y348 WeakPolarHBondContact ND2-CD1 3.24Å; N326-Y348 VanDerWaalsContact ND2-CE1 3.28Å; N326-Y348 WeakPolarHBondContact ND2-CE1 3.29Å; C344-Y348 WeakPolarHBondContact CB-O 3.45Å; L345-Y348 HydrophobicContact CB-CD2 4.46Å; L345-Y348 PolarHBondContact O-N 2.63Å; L345-Y348 VanDerWaalsContact O-O 3.13Å; Y348-F355 CarbonylContact C-O 3.48Å; Y348-F355 WeakPolarHBondContact CA-O 3.19Å; Y348-H356 HydrophobicContact CD1-CB 4.43Å; Y348-H356 HydrophobicContact CE1-CB 4.31Å; Y348-H356 AromaticContact CE1-CD2 3.59Å; Y348-H356 AromaticContact CZ-CD2 3.62Å |
| 349 | F | 83.9 | Confident | 83.2 | Confident | 73 Ų | 73 | 74.9 Ų | 74.9 | 32% | 0.32 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 173.6 | 178.1 | 73.6 | -83 | 0 | 0 | 0 | 112.7 | C353 H354 F355 T357 L360 | F349-C353 CarbonylContact O-C 3.49Å; F349-C353 WeakPolarHBondContact O-CA 3.14Å; F349-H354 PolarHBondContact O-N 2.89Å; F349-F355 HydrophobicContact CD1-CB 3.66Å; F349-F355 HydrophobicContact CD2-CB 4.03Å; F349-F355 HydrophobicContact CD2-CD2 4.03Å; F349-F355 HydrophobicContact CD2-CG 4.47Å; F349-F355 HydrophobicContact CE1-CB 3.28Å; F349-F355 HydrophobicContact CE1-CG 4.31Å; F349-F355 HydrophobicContact CE2-CB 3.69Å; F349-F355 AromaticContact CE2-CD2 3.63Å; F349-F355 HydrophobicContact CE2-CD2 3.63Å; F349-F355 HydrophobicContact CE2-CE2 4.49Å; F349-F355 AromaticContact CE2-CG 3.93Å; F349-F355 HydrophobicContact CE2-CG 3.93Å; F349-F355 HydrophobicContact CG-CB 4.02Å; F349-F355 HydrophobicContact CZ-CB 3.3Å; F349-F355 HydrophobicContact CZ-CD2 4.05Å; F349-F355 AromaticContact CZ-CG 3.84Å; F349-F355 HydrophobicContact CZ-CG 3.84Å; F349-F355 PolarHBondContact N-O 2.85Å; F349-F355 PolarHBondContact O-N 2.82Å; F349-F355 VanDerWaalsContact O-N 3.11Å; F349-T357 HydrophobicContact CD1-CG2 4.31Å; F349-L360 HydrophobicContact CD1-CD1 4.04Å; F349-L360 HydrophobicContact CD2-CD1 4.45Å; F349-L360 HydrophobicContact CE1-CD1 3.42Å; F349-L360 VanDerWaalsContact CE1-CD1 3.42Å; F349-L360 HydrophobicContact CE1-CG 4.19Å; F349-L360 HydrophobicContact CE2-CD1 3.9Å; F349-L360 HydrophobicContact CZ-CD1 3.34Å; F349-L360 HydrophobicContact CZ-CG 3.96Å |
| 350 | G | 82.5 | Confident | 82 | Confident | 30 Ų | 30 | 78.1 Ų | 78.1 | 31% | 0.309 | 39% | 0.393 | S | S | . | . | S | Bend | trans | 95.3 | 165.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R352 C353 | G350-R352 PolarHBondContact O-N 2.88Å; G350-C353 PolarHBondContact O-N 2.76Å |
| 351 | D | 85.6 | Confident | 80.5 | Confident | 140 Ų | 140 | 83 Ų | 83 | 75% | 0.749 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -26 | -170.6 | -57.5 | -25.7 | 0 | 0 | 0 | 114.3 | C342 | C342-D351 WeakPolarHBondContact CB-O 3.42Å; C342-D351 PolarHBondContact SG-O 2.79Å; C342-D351 VanDerWaalsContact SG-O 3.41Å |
| 352 | R | 89.2 | Confident | 78.8 | Confident | 93 Ų | 93 | 82.1 Ų | 82.1 | 35% | 0.351 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | 13.4 | 177.9 | -62.6 | -176.6 | 63.7 | -167.4 | -1.6 | 114.5 | Y323 L325 G350 H354 | Y323-R352 HydrophobicContact CD1-CG 4.48Å; Y323-R352 HydrophobicContact CE1-CG 3.85Å; Y323-R352 VanDerWaalsContact O-CZ 3.24Å; Y323-R352 PolarHBondContact O-NE 3.33Å; Y323-R352 PolarHBondContact O-NH2 3.11Å; L325-R352 WeakPolarHBondContact CB-O 3.19Å; L325-R352 PolarHBondContact N-O 3.31Å; G350-R352 PolarHBondContact O-N 2.88Å; R352-H354 VanDerWaalsContact C-N 3.31Å; R352-H354 PolarHBondContact O-N 2.95Å |
| 353 | C | 89.3 | Confident | 76.6 | Confident | 0 Ų | 0 | 88.2 Ų | 88.2 | 0% | 0 | 44% | 0.442 | C | S | . | . | S | Bend | trans | 60.3 | 34.9 | -176.4 | -46.2 | 0 | 0 | 0 | 0 | 114.4 | L325 N326 C344 F349 G350 | L325-C353 WeakPolarHBondContact O-CB 3.36Å; N326-C353 PolarHBondContact ND2-O 2.98Å; C344-C353 WeakPolarHBondContact CA-SG 3.4Å; C344-C353 HydrophobicContact CB-CB 3.76Å; C344-C353 WeakPolarHBondContact CB-SG 3.43Å; C344-C353 WeakPolarHBondContact SG-CA 3.3Å; C344-C353 WeakPolarHBondContact SG-CB 2.76Å; C344-C353 CovalentContact SG-SG 2.03Å; C344-C353 PolarHBondContact SG-SG 3.32Å; F349-C353 CarbonylContact O-C 3.49Å; F349-C353 WeakPolarHBondContact O-CA 3.14Å; G350-C353 PolarHBondContact O-N 2.76Å |
| 354 | H | 88 | Confident | 74.7 | Confident | 87 Ų | 87 | 83.7 Ų | 83.7 | 40% | 0.403 | 44% | 0.435 | S | S | . | . | trans | -86.7 | -20.6 | -174.9 | 59 | -78.9 | 0 | 0 | 0 | 113.6 | L325 F349 R352 | L325-H354 HydrophobicContact CD1-CB 4.12Å; F349-H354 PolarHBondContact O-N 2.89Å; R352-H354 VanDerWaalsContact C-N 3.31Å; R352-H354 PolarHBondContact O-N 2.95Å | ||
| 355 | F | 82.8 | Confident | 72.5 | Confident | 102 Ų | 102 | 87.5 Ų | 87.5 | 45% | 0.447 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 139.3 | 179.5 | -59.7 | -61.8 | 0 | 0 | 0 | 111 | Y348 F349 | Y348-F355 CarbonylContact C-O 3.48Å; Y348-F355 WeakPolarHBondContact CA-O 3.19Å; F349-F355 HydrophobicContact CD1-CB 3.66Å; F349-F355 HydrophobicContact CD2-CB 4.03Å; F349-F355 HydrophobicContact CD2-CD2 4.03Å; F349-F355 HydrophobicContact CD2-CG 4.47Å; F349-F355 HydrophobicContact CE1-CB 3.28Å; F349-F355 HydrophobicContact CE1-CG 4.31Å; F349-F355 HydrophobicContact CE2-CB 3.69Å; F349-F355 AromaticContact CE2-CD2 3.63Å; F349-F355 HydrophobicContact CE2-CD2 3.63Å; F349-F355 HydrophobicContact CE2-CE2 4.49Å; F349-F355 AromaticContact CE2-CG 3.93Å; F349-F355 HydrophobicContact CE2-CG 3.93Å; F349-F355 HydrophobicContact CG-CB 4.02Å; F349-F355 HydrophobicContact CZ-CB 3.3Å; F349-F355 HydrophobicContact CZ-CD2 4.05Å; F349-F355 AromaticContact CZ-CG 3.84Å; F349-F355 HydrophobicContact CZ-CG 3.84Å; F349-F355 PolarHBondContact N-O 2.85Å; F349-F355 PolarHBondContact O-N 2.82Å; F349-F355 VanDerWaalsContact O-N 3.11Å |
| 356 | H | 82.8 | Confident | 70.7 | Confident | 69 Ų | 69 | 86 Ų | 86 | 32% | 0.319 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 140.1 | 173 | -164.9 | -99.1 | 0 | 0 | 0 | 110.3 | H347 Y348 D358 G359 | H347-H356 CarbonylContact O-C 3.55Å; H347-H356 WeakPolarHBondContact O-CA 3.24Å; H347-H356 PolarHBondContact O-CD2 2.94Å; H347-H356 VanDerWaalsContact O-CD2 3.24Å; Y348-H356 HydrophobicContact CD1-CB 4.43Å; Y348-H356 HydrophobicContact CE1-CB 4.31Å; Y348-H356 AromaticContact CE1-CD2 3.59Å; Y348-H356 AromaticContact CZ-CD2 3.62Å; H356-D358 IonicContact CE1-OD1 3.02Å; H356-D358 IonicContact CE1-OD2 2.63Å; H356-D358 PolarHBondContact CE1-OD2 2.83Å; H356-D358 WeakPolarHBondContact ND1-CB 3.33Å; H356-D358 VanDerWaalsContact ND1-CG 3.25Å; H356-D358 PolarHBondContact ND1-N 2.98Å; H356-D358 IonicContact ND1-OD1 2.76Å; H356-D358 IonicContact ND1-OD2 3.28Å; H356-D358 PolarHBondContact ND1-OD2 3.09Å; H356-D358 PolarHBondContact O-N 2.99Å; H356-G359 PolarHBondContact O-N 3.05Å |
| 357 | T | 76.1 | Confident | 69.1 | Low | 28 Ų | 28 | 88.1 Ų | 88.1 | 17% | 0.172 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -60 | -30.4 | -178.1 | 49.1 | 0 | 0 | 0 | 0 | 113.1 | H347 F349 G359 L360 Y361 | H347-T357 WeakPolarHBondContact CA-OG1 3.31Å; H347-T357 PolarHBondContact O-N 3.17Å; H347-T357 PolarHBondContact O-OG1 2.97Å; F349-T357 HydrophobicContact CD1-CG2 4.31Å; T357-G359 PolarHBondContact O-N 2.8Å; T357-G359 VanDerWaalsContact O-N 3.15Å; T357-L360 WeakPolarHBondContact O-CB 3.37Å; T357-L360 PolarHBondContact O-N 3.49Å; T357-Y361 WeakPolarHBondContact O-CD2 3.27Å; T357-Y361 PolarHBondContact O-N 2.88Å; T357-Y361 VanDerWaalsContact O-N 3.15Å |
| 358 | D | 73.3 | Confident | 67.5 | Low | 95 Ų | 95 | 84.4 Ų | 84.4 | 51% | 0.508 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.7 | -24.2 | 178.2 | -62.3 | -4.6 | 0 | 0 | 0 | 112.6 | H356 Y361 A362 | H356-D358 IonicContact CE1-OD1 3.02Å; H356-D358 IonicContact CE1-OD2 2.63Å; H356-D358 PolarHBondContact CE1-OD2 2.83Å; H356-D358 WeakPolarHBondContact ND1-CB 3.33Å; H356-D358 VanDerWaalsContact ND1-CG 3.25Å; H356-D358 PolarHBondContact ND1-N 2.98Å; H356-D358 IonicContact ND1-OD1 2.76Å; H356-D358 IonicContact ND1-OD2 3.28Å; H356-D358 PolarHBondContact ND1-OD2 3.09Å; H356-D358 PolarHBondContact O-N 2.99Å; D358-Y361 PolarHBondContact O-N 3.28Å; D358-A362 WeakPolarHBondContact O-CB 3.24Å; D358-A362 PolarHBondContact O-N 3.36Å |
| 359 | G | 61.4 | Low | 65.8 | Low | 46 Ų | 46 | 85 Ų | 85 | 47% | 0.474 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68 | -34.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | H356 T357 F363 | H356-G359 PolarHBondContact O-N 3.05Å; T357-G359 PolarHBondContact O-N 2.8Å; T357-G359 VanDerWaalsContact O-N 3.15Å; G359-F363 PolarHBondContact O-N 2.95Å |
| 360 | L | 53.3 | Low | 64.6 | Low | 97 Ų | 97 | 86 Ų | 86 | 51% | 0.508 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -70.2 | -40.9 | 172.7 | -96.5 | 155 | 0 | 0 | 0 | 110.9 | F349 T357 F363 S364 | F349-L360 HydrophobicContact CD1-CD1 4.04Å; F349-L360 HydrophobicContact CD2-CD1 4.45Å; F349-L360 HydrophobicContact CE1-CD1 3.42Å; F349-L360 VanDerWaalsContact CE1-CD1 3.42Å; F349-L360 HydrophobicContact CE1-CG 4.19Å; F349-L360 HydrophobicContact CE2-CD1 3.9Å; F349-L360 HydrophobicContact CZ-CD1 3.34Å; F349-L360 HydrophobicContact CZ-CG 3.96Å; T357-L360 WeakPolarHBondContact O-CB 3.37Å; T357-L360 PolarHBondContact O-N 3.49Å; L360-F363 PolarHBondContact O-N 2.74Å; L360-S364 WeakPolarHBondContact O-CB 3.23Å; L360-S364 PolarHBondContact O-N 2.67Å; L360-S364 PolarHBondContact O-OG 2.74Å |
| 361 | Y | 52.9 | Low | 63.5 | Low | 151 Ų | 151 | 90.6 Ų | 90.6 | 59% | 0.592 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.8 | -45.4 | 173.2 | -74.7 | -72.4 | 0 | 0 | 0 | 110.8 | T357 D358 F363 S364 E365 | T357-Y361 WeakPolarHBondContact O-CD2 3.27Å; T357-Y361 PolarHBondContact O-N 2.88Å; T357-Y361 VanDerWaalsContact O-N 3.15Å; D358-Y361 PolarHBondContact O-N 3.28Å; Y361-F363 VanDerWaalsContact C-N 3.28Å; Y361-F363 PolarHBondContact O-N 3.34Å; Y361-S364 WeakPolarHBondContact CA-OG 3.29Å; Y361-S364 PolarHBondContact O-N 3.25Å; Y361-S364 PolarHBondContact O-OG 2.85Å; Y361-E365 WeakPolarHBondContact O-CA 3.45Å; Y361-E365 WeakPolarHBondContact O-CB 3.3Å; Y361-E365 PolarHBondContact O-N 3.25Å |
| 362 | A | 49.8 | Very low | 62.6 | Low | 59 Ų | 59 | 89.2 Ų | 89.2 | 49% | 0.488 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.1 | -33.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D358 S366 | D358-A362 WeakPolarHBondContact O-CB 3.24Å; D358-A362 PolarHBondContact O-N 3.36Å; A362-S366 WeakPolarHBondContact O-CB 3.23Å; A362-S366 PolarHBondContact O-N 2.98Å |
| 363 | F | 45.5 | Very low | 61.5 | Low | 151 Ų | 151 | 87.8 Ų | 87.8 | 66% | 0.662 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -77.1 | -39.9 | 175.9 | -158.1 | -92.8 | 0 | 0 | 0 | 112.8 | G359 L360 Y361 E365 S366 R367 | G359-F363 PolarHBondContact O-N 2.95Å; L360-F363 PolarHBondContact O-N 2.74Å; Y361-F363 VanDerWaalsContact C-N 3.28Å; Y361-F363 PolarHBondContact O-N 3.34Å; F363-E365 VanDerWaalsContact C-N 3.29Å; F363-S366 WeakPolarHBondContact O-CB 3.23Å; F363-S366 PolarHBondContact O-N 2.84Å; F363-R367 PolarHBondContact O-N 3.08Å |
| 364 | S | 44.8 | Very low | 60.7 | Low | 71 Ų | 71 | 92.4 Ų | 92.4 | 50% | 0.497 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.4 | -34.9 | 173.4 | 76.8 | 0 | 0 | 0 | 0 | 111.7 | L360 Y361 R367 G368 | L360-S364 WeakPolarHBondContact O-CB 3.23Å; L360-S364 PolarHBondContact O-N 2.67Å; L360-S364 PolarHBondContact O-OG 2.74Å; Y361-S364 WeakPolarHBondContact CA-OG 3.29Å; Y361-S364 PolarHBondContact O-N 3.25Å; Y361-S364 PolarHBondContact O-OG 2.85Å; S364-R367 PolarHBondContact O-N 3.11Å; S364-G368 PolarHBondContact O-N 3.26Å |
| 365 | E | 43.9 | Very low | 60.2 | Low | 113 Ų | 113 | 92.3 Ų | 92.3 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -79.3 | -28.2 | 177.7 | -165.9 | 155.1 | -154.9 | 0 | 0 | 110.7 | Y361 F363 G368 N369 | Y361-E365 WeakPolarHBondContact O-CA 3.45Å; Y361-E365 WeakPolarHBondContact O-CB 3.3Å; Y361-E365 PolarHBondContact O-N 3.25Å; F363-E365 VanDerWaalsContact C-N 3.29Å; E365-G368 PolarHBondContact O-N 2.96Å; E365-N369 WeakPolarHBondContact CG-ND2 3.24Å; E365-N369 WeakPolarHBondContact O-CA 3.37Å; E365-N369 WeakPolarHBondContact O-CB 3.36Å; E365-N369 PolarHBondContact O-N 3.46Å; E365-N369 PolarHBondContact O-ND2 2.77Å; E365-N369 PolarHBondContact O-OD1 3.47Å |
| 366 | S | 50.2 | Low | 59.9 | Low | 61 Ų | 61 | 92.9 Ų | 92.9 | 43% | 0.427 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.1 | -47 | 166.2 | 152.8 | 0 | 0 | 0 | 0 | 111.6 | A362 F363 D370 | A362-S366 WeakPolarHBondContact O-CB 3.23Å; A362-S366 PolarHBondContact O-N 2.98Å; F363-S366 WeakPolarHBondContact O-CB 3.23Å; F363-S366 PolarHBondContact O-N 2.84Å; S366-D370 PolarHBondContact O-N 3.44Å |
| 367 | R | 48 | Very low | 59.7 | Low | 198 Ų | 198 | 92 Ų | 92 | 75% | 0.747 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -73.8 | -35 | 178.3 | -126.3 | 178.3 | -178.7 | 169.2 | 1.6 | 112.7 | F363 S364 L371 | F363-R367 PolarHBondContact O-N 3.08Å; S364-R367 PolarHBondContact O-N 3.11Å; R367-L371 PolarHBondContact O-N 3.48Å |
| 368 | G | 47.4 | Very low | 59.8 | Low | 35 Ų | 35 | 95.2 Ų | 95.2 | 36% | 0.361 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.9 | -40.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S364 E365 L371 Q372 | S364-G368 PolarHBondContact O-N 3.26Å; E365-G368 PolarHBondContact O-N 2.96Å; G368-L371 PolarHBondContact O-N 3.06Å; G368-Q372 WeakPolarHBondContact O-CB 3.44Å; G368-Q372 PolarHBondContact O-N 3.32Å |
| 369 | N | 50.4 | Low | 60.2 | Low | 85 Ų | 85 | 94.7 Ų | 94.7 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.4 | -31.3 | 178 | -70.6 | -21 | 0 | 0 | 0 | 111.8 | E365 S373 | E365-N369 WeakPolarHBondContact CG-ND2 3.24Å; E365-N369 WeakPolarHBondContact O-CA 3.37Å; E365-N369 WeakPolarHBondContact O-CB 3.36Å; E365-N369 PolarHBondContact O-N 3.46Å; E365-N369 PolarHBondContact O-ND2 2.77Å; E365-N369 PolarHBondContact O-OD1 3.47Å; N369-S373 WeakPolarHBondContact O-CA 3.07Å; N369-S373 WeakPolarHBondContact O-CB 3.37Å; N369-S373 PolarHBondContact O-N 3.16Å; N369-S373 PolarHBondContact O-OG 3.38Å |
| 370 | D | 58.9 | Low | 61.2 | Low | 95 Ų | 95 | 95.5 Ų | 95.5 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.7 | -46.3 | 172.3 | -78 | -15 | 0 | 0 | 0 | 111.1 | S366 S373 I374 | S366-D370 PolarHBondContact O-N 3.44Å; D370-S373 PolarHBondContact O-OG 2.8Å; D370-I374 WeakPolarHBondContact O-CB 3.43Å; D370-I374 WeakPolarHBondContact O-CD1 3.16Å; D370-I374 WeakPolarHBondContact O-CG1 3.43Å; D370-I374 PolarHBondContact O-N 2.97Å |
| 371 | L | 60.2 | Low | 62.5 | Low | 127 Ų | 127 | 94 Ų | 94 | 67% | 0.665 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -71.2 | -41.6 | 177.9 | -170 | 67 | 0 | 0 | 0 | 112.2 | R367 G368 I374 L375 | R367-L371 PolarHBondContact O-N 3.48Å; G368-L371 PolarHBondContact O-N 3.06Å; L371-I374 PolarHBondContact O-N 1.97Å; L371-L375 WeakPolarHBondContact O-CB 3.44Å; L371-L375 PolarHBondContact O-N 3.1Å |
| 372 | Q | 65.4 | Low | 63.9 | Low | 111 Ų | 111 | 92.5 Ų | 92.5 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.1 | -37.8 | 176.5 | -168.9 | 87.4 | -2 | 0 | 0 | 110.9 | G368 L375 H376 | G368-Q372 WeakPolarHBondContact O-CB 3.44Å; G368-Q372 PolarHBondContact O-N 3.32Å; Q372-L375 PolarHBondContact O-N 3.46Å; Q372-H376 VanDerWaalsContact O-CB 3.29Å; Q372-H376 WeakPolarHBondContact O-CB 3.08Å; Q372-H376 PolarHBondContact O-N 3.08Å |
| 373 | S | 67.3 | Low | 65.7 | Low | 63 Ų | 63 | 93.2 Ų | 93.2 | 44% | 0.441 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.5 | -39.4 | 176.9 | 67.8 | 0 | 0 | 0 | 0 | 111.8 | N369 D370 L375 H376 A377 | N369-S373 WeakPolarHBondContact O-CA 3.07Å; N369-S373 WeakPolarHBondContact O-CB 3.37Å; N369-S373 PolarHBondContact O-N 3.16Å; N369-S373 PolarHBondContact O-OG 3.38Å; D370-S373 PolarHBondContact O-OG 2.8Å; S373-L375 VanDerWaalsContact C-N 3.33Å; S373-H376 PolarHBondContact O-N 3.32Å; S373-A377 WeakPolarHBondContact O-CB 3.19Å; S373-A377 PolarHBondContact O-N 3.37Å |
| 374 | I | 72.9 | Confident | 67.7 | Low | 97 Ų | 97 | 90.5 Ų | 90.5 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 170.8 | -69.4 | 164.9 | 0 | 0 | 0 | 109.6 | D370 L371 A377 L378 | D370-I374 WeakPolarHBondContact O-CB 3.43Å; D370-I374 WeakPolarHBondContact O-CD1 3.16Å; D370-I374 WeakPolarHBondContact O-CG1 3.43Å; D370-I374 PolarHBondContact O-N 2.97Å; L371-I374 PolarHBondContact O-N 1.97Å; I374-A377 PolarHBondContact O-N 3.48Å; I374-L378 HydrophobicContact CG2-CD1 3.98Å; I374-L378 HydrophobicContact CG2-CG 4.44Å; I374-L378 WeakPolarHBondContact O-CB 3.22Å; I374-L378 VanDerWaalsContact O-CG 3.29Å; I374-L378 WeakPolarHBondContact O-CG 3.43Å; I374-L378 PolarHBondContact O-N 3.46Å |
| 375 | L | 77.7 | Confident | 69.6 | Low | 85 Ų | 85 | 95.2 Ų | 95.2 | 45% | 0.445 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 178.2 | -174.2 | 64.3 | 0 | 0 | 0 | 111.6 | L371 Q372 S373 L378 I379 | L371-L375 WeakPolarHBondContact O-CB 3.44Å; L371-L375 PolarHBondContact O-N 3.1Å; Q372-L375 PolarHBondContact O-N 3.46Å; S373-L375 VanDerWaalsContact C-N 3.33Å; L375-L378 PolarHBondContact O-N 3.24Å; L375-I379 HydrophobicContact CD1-CD1 4.1Å; L375-I379 HydrophobicContact CD1-CG1 4.36Å; L375-I379 HydrophobicContact CD2-CD1 4.43Å; L375-I379 HydrophobicContact CG-CD1 3.79Å; L375-I379 HydrophobicContact CG-CG1 4.42Å; L375-I379 WeakPolarHBondContact O-CB 3.48Å; L375-I379 WeakPolarHBondContact O-CG1 3.35Å; L375-I379 PolarHBondContact O-N 3.05Å |
| 376 | H | 76.4 | Confident | 71.6 | Confident | 113 Ų | 113 | 91.4 Ų | 91.4 | 52% | 0.523 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 173.5 | -110.4 | -123.9 | 0 | 0 | 0 | 111.4 | Q372 S373 I379 T380 | Q372-H376 VanDerWaalsContact O-CB 3.29Å; Q372-H376 WeakPolarHBondContact O-CB 3.08Å; Q372-H376 PolarHBondContact O-N 3.08Å; S373-H376 PolarHBondContact O-N 3.32Å; H376-I379 PolarHBondContact O-N 3.35Å; H376-T380 VanDerWaalsContact O-CB 3.26Å; H376-T380 WeakPolarHBondContact O-CB 3.32Å; H376-T380 WeakPolarHBondContact O-CG2 3.28Å; H376-T380 PolarHBondContact O-N 3.43Å; H376-T380 PolarHBondContact O-OG1 2.92Å |
| 377 | A | 77.9 | Confident | 73.6 | Confident | 52 Ų | 52 | 92.8 Ų | 92.8 | 43% | 0.43 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S373 I374 T380 T381 | S373-A377 WeakPolarHBondContact O-CB 3.19Å; S373-A377 PolarHBondContact O-N 3.37Å; I374-A377 PolarHBondContact O-N 3.48Å; A377-T380 WeakPolarHBondContact CA-OG1 3.47Å; A377-T380 PolarHBondContact O-OG1 3.49Å; A377-T380 VanDerWaalsContact O-OG1 3.05Å; A377-T381 WeakPolarHBondContact O-CB 3.26Å; A377-T381 WeakPolarHBondContact O-CG2 3.42Å; A377-T381 PolarHBondContact O-N 3.01Å; A377-T381 PolarHBondContact O-OG1 3.02Å |
| 378 | L | 79.2 | Confident | 75.5 | Confident | 94 Ų | 94 | 88.9 Ų | 88.9 | 49% | 0.492 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.5 | -45.6 | 175 | -72.9 | 172 | 0 | 0 | 0 | 112 | I374 L375 T381 L382 | I374-L378 HydrophobicContact CG2-CD1 3.98Å; I374-L378 HydrophobicContact CG2-CG 4.44Å; I374-L378 WeakPolarHBondContact O-CB 3.22Å; I374-L378 VanDerWaalsContact O-CG 3.29Å; I374-L378 WeakPolarHBondContact O-CG 3.43Å; I374-L378 PolarHBondContact O-N 3.46Å; L375-L378 PolarHBondContact O-N 3.24Å; L378-T381 WeakPolarHBondContact CA-OG1 3.32Å; L378-T381 PolarHBondContact O-N 3.21Å; L378-T381 PolarHBondContact O-OG1 3.2Å; L378-L382 WeakPolarHBondContact O-CB 3.43Å; L378-L382 WeakPolarHBondContact O-CD1 3.2Å; L378-L382 WeakPolarHBondContact O-CG 2.89Å; L378-L382 PolarHBondContact O-N 3.49Å |
| 379 | I | 81.3 | Confident | 77.5 | Confident | 84 Ų | 84 | 94.3 Ų | 94.3 | 43% | 0.431 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64 | -45.8 | 178.2 | -69.5 | 168.9 | 0 | 0 | 0 | 110.2 | L375 H376 L382 T383 | L375-I379 HydrophobicContact CD1-CD1 4.1Å; L375-I379 HydrophobicContact CD1-CG1 4.36Å; L375-I379 HydrophobicContact CD2-CD1 4.43Å; L375-I379 HydrophobicContact CG-CD1 3.79Å; L375-I379 HydrophobicContact CG-CG1 4.42Å; L375-I379 WeakPolarHBondContact O-CB 3.48Å; L375-I379 WeakPolarHBondContact O-CG1 3.35Å; L375-I379 PolarHBondContact O-N 3.05Å; H376-I379 PolarHBondContact O-N 3.35Å; I379-L382 PolarHBondContact O-N 2.79Å; I379-T383 HydrophobicContact CG2-CG2 4.34Å; I379-T383 VanDerWaalsContact O-CG2 3.3Å; I379-T383 WeakPolarHBondContact O-CG2 3.28Å; I379-T383 PolarHBondContact O-N 2.84Å; I379-T383 PolarHBondContact O-OG1 3.29Å |
| 380 | T | 81.8 | Confident | 79.3 | Confident | 63 Ų | 63 | 94.7 Ų | 94.7 | 39% | 0.387 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 177.9 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | H376 A377 T383 L384 | H376-T380 VanDerWaalsContact O-CB 3.26Å; H376-T380 WeakPolarHBondContact O-CB 3.32Å; H376-T380 WeakPolarHBondContact O-CG2 3.28Å; H376-T380 PolarHBondContact O-N 3.43Å; H376-T380 PolarHBondContact O-OG1 2.92Å; A377-T380 WeakPolarHBondContact CA-OG1 3.47Å; A377-T380 PolarHBondContact O-OG1 3.49Å; A377-T380 VanDerWaalsContact O-OG1 3.05Å; T380-T383 WeakPolarHBondContact CA-OG1 3.07Å; T380-T383 PolarHBondContact O-OG1 3.26Å; T380-L384 VanDerWaalsContact O-CB 3.27Å; T380-L384 WeakPolarHBondContact O-CB 3.39Å; T380-L384 WeakPolarHBondContact O-CD1 3.3Å; T380-L384 VanDerWaalsContact O-CG 3.27Å; T380-L384 WeakPolarHBondContact O-CG 3.4Å; T380-L384 PolarHBondContact O-N 3.43Å |
| 381 | T | 81.2 | Confident | 80.8 | Confident | 67 Ų | 67 | 94.8 Ų | 94.8 | 41% | 0.411 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.7 | -37.4 | 173.9 | 44.7 | 0 | 0 | 0 | 0 | 112.4 | A377 L378 R385 | A377-T381 WeakPolarHBondContact O-CB 3.26Å; A377-T381 WeakPolarHBondContact O-CG2 3.42Å; A377-T381 PolarHBondContact O-N 3.01Å; A377-T381 PolarHBondContact O-OG1 3.02Å; L378-T381 WeakPolarHBondContact CA-OG1 3.32Å; L378-T381 PolarHBondContact O-N 3.21Å; L378-T381 PolarHBondContact O-OG1 3.2Å; T381-R385 WeakPolarHBondContact O-CB 3.46Å; T381-R385 VanDerWaalsContact O-CG 3.29Å; T381-R385 WeakPolarHBondContact O-CG 3.33Å; T381-R385 PolarHBondContact O-N 3.07Å |
| 382 | L | 81.6 | Confident | 82.3 | Confident | 118 Ų | 118 | 95 Ų | 95 | 62% | 0.618 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.4 | -44.1 | 173.4 | -86 | 152.9 | 0 | 0 | 0 | 112.1 | L378 I379 R385 G386 | L378-L382 WeakPolarHBondContact O-CB 3.43Å; L378-L382 WeakPolarHBondContact O-CD1 3.2Å; L378-L382 WeakPolarHBondContact O-CG 2.89Å; L378-L382 PolarHBondContact O-N 3.49Å; I379-L382 PolarHBondContact O-N 2.79Å; L382-R385 PolarHBondContact O-N 3.46Å; L382-G386 PolarHBondContact O-N 2.72Å |
| 383 | T | 88.3 | Confident | 83.5 | Confident | 75 Ų | 75 | 91.2 Ų | 91.2 | 46% | 0.46 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.6 | -42.8 | 178.2 | 57.2 | 0 | 0 | 0 | 0 | 111.7 | I379 T380 R385 G386 I387 | I379-T383 HydrophobicContact CG2-CG2 4.34Å; I379-T383 VanDerWaalsContact O-CG2 3.3Å; I379-T383 WeakPolarHBondContact O-CG2 3.28Å; I379-T383 PolarHBondContact O-N 2.84Å; I379-T383 PolarHBondContact O-OG1 3.29Å; T380-T383 WeakPolarHBondContact CA-OG1 3.07Å; T380-T383 PolarHBondContact O-OG1 3.26Å; T383-R385 PolarHBondContact O-N 2.92Å; T383-G386 PolarHBondContact O-N 3.19Å; T383-I387 VanDerWaalsContact O-CG1 3.27Å; T383-I387 WeakPolarHBondContact O-CG1 3.37Å; T383-I387 PolarHBondContact O-N 3.26Å |
| 384 | L | 86.5 | Confident | 84.6 | Confident | 93 Ų | 93 | 91 Ų | 91 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.4 | -47.8 | 173.8 | -78.5 | 166.6 | 0 | 0 | 0 | 111 | T380 G386 I387 F388 | T380-L384 VanDerWaalsContact O-CB 3.27Å; T380-L384 WeakPolarHBondContact O-CB 3.39Å; T380-L384 WeakPolarHBondContact O-CD1 3.3Å; T380-L384 VanDerWaalsContact O-CG 3.27Å; T380-L384 WeakPolarHBondContact O-CG 3.4Å; T380-L384 PolarHBondContact O-N 3.43Å; L384-G386 VanDerWaalsContact C-N 3.34Å; L384-G386 PolarHBondContact O-N 2.93Å; L384-I387 PolarHBondContact O-N 3.48Å; L384-F388 WeakPolarHBondContact O-CD2 3.44Å; L384-F388 PolarHBondContact O-N 3.1Å |
| 385 | R | 84.5 | Confident | 85.4 | Confident | 170 Ų | 170 | 89.6 Ų | 89.6 | 64% | 0.642 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -57.7 | -45.9 | 174.5 | -77.9 | 178.5 | -179.5 | 177.8 | 2.2 | 111.4 | T381 L382 T383 I387 F388 F389 | T381-R385 WeakPolarHBondContact O-CB 3.46Å; T381-R385 VanDerWaalsContact O-CG 3.29Å; T381-R385 WeakPolarHBondContact O-CG 3.33Å; T381-R385 PolarHBondContact O-N 3.07Å; L382-R385 PolarHBondContact O-N 3.46Å; T383-R385 PolarHBondContact O-N 2.92Å; R385-I387 PolarHBondContact O-N 2.67Å; R385-F388 PolarHBondContact O-N 3.37Å; R385-F389 HydrophobicContact CB-CD2 4.49Å; R385-F389 HydrophobicContact CB-CE2 4.44Å; R385-F389 WeakPolarHBondContact O-CD2 3.35Å; R385-F389 PolarHBondContact O-N 3.46Å |
| 386 | G | 86.5 | Confident | 86.1 | Confident | 34 Ų | 34 | 88.4 Ų | 88.4 | 35% | 0.351 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.7 | -45.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L382 T383 L384 F388 F389 T390 | L382-G386 PolarHBondContact O-N 2.72Å; T383-G386 PolarHBondContact O-N 3.19Å; L384-G386 VanDerWaalsContact C-N 3.34Å; L384-G386 PolarHBondContact O-N 2.93Å; G386-F388 PolarHBondContact O-N 3.28Å; G386-F389 PolarHBondContact O-N 3.35Å; G386-T390 WeakPolarHBondContact O-CG2 2.94Å; G386-T390 PolarHBondContact O-N 2.76Å; G386-T390 PolarHBondContact O-OG1 3.21Å |
| 387 | I | 91.3 | Very high | 86.8 | Confident | 90 Ų | 90 | 85.7 Ų | 85.7 | 46% | 0.462 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 175.6 | -67.4 | 164 | 0 | 0 | 0 | 110.3 | T383 L384 R385 F389 T390 L391 | T383-I387 VanDerWaalsContact O-CG1 3.27Å; T383-I387 WeakPolarHBondContact O-CG1 3.37Å; T383-I387 PolarHBondContact O-N 3.26Å; L384-I387 PolarHBondContact O-N 3.48Å; R385-I387 PolarHBondContact O-N 2.67Å; I387-F389 PolarHBondContact O-N 2.83Å; I387-T390 PolarHBondContact O-N 2.96Å; I387-T390 PolarHBondContact O-OG1 3.47Å; I387-L391 HydrophobicContact CG2-CD1 3.72Å; I387-L391 HydrophobicContact CG2-CG 4.24Å; I387-L391 WeakPolarHBondContact O-CB 3.5Å; I387-L391 WeakPolarHBondContact O-CG 3Å; I387-L391 PolarHBondContact O-N 3.39Å |
| 388 | F | 89.1 | Confident | 87.4 | Confident | 115 Ų | 115 | 88 Ų | 88 | 50% | 0.504 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 175.7 | -79.6 | -66.9 | 0 | 0 | 0 | 112.1 | L384 R385 G386 T390 L391 F392 | L384-F388 WeakPolarHBondContact O-CD2 3.44Å; L384-F388 PolarHBondContact O-N 3.1Å; R385-F388 PolarHBondContact O-N 3.37Å; G386-F388 PolarHBondContact O-N 3.28Å; F388-T390 VanDerWaalsContact C-N 3.33Å; F388-T390 PolarHBondContact O-N 3.28Å; F388-L391 PolarHBondContact O-N 2.95Å; F388-F392 HydrophobicContact CB-CD2 4.45Å; F388-F392 HydrophobicContact CD1-CD2 4.26Å; F388-F392 AromaticContact CD1-CE2 3.98Å; F388-F392 HydrophobicContact CD1-CE2 3.98Å; F388-F392 VanDerWaalsContact O-CB 3.3Å; F388-F392 WeakPolarHBondContact O-CB 3.48Å; F388-F392 WeakPolarHBondContact O-CD2 3.24Å; F388-F392 PolarHBondContact O-N 3Å |
| 389 | F | 88.9 | Confident | 88.1 | Confident | 149 Ų | 149 | 88.6 Ų | 88.6 | 65% | 0.654 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.9 | -38.4 | 176.8 | -80.9 | -67.2 | 0 | 0 | 0 | 112.7 | R385 G386 I387 G393 | R385-F389 HydrophobicContact CB-CD2 4.49Å; R385-F389 HydrophobicContact CB-CE2 4.44Å; R385-F389 WeakPolarHBondContact O-CD2 3.35Å; R385-F389 PolarHBondContact O-N 3.46Å; G386-F389 PolarHBondContact O-N 3.35Å; I387-F389 PolarHBondContact O-N 2.83Å; F389-G393 WeakPolarHBondContact O-CA 3.24Å; F389-G393 PolarHBondContact O-N 3.18Å |
| 390 | T | 89.3 | Confident | 88.6 | Confident | 93 Ų | 93 | 89.1 Ų | 89.1 | 57% | 0.571 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -72 | -40.9 | 177.2 | 59.2 | 0 | 0 | 0 | 0 | 112.8 | G386 I387 F388 S394 | G386-T390 WeakPolarHBondContact O-CG2 2.94Å; G386-T390 PolarHBondContact O-N 2.76Å; G386-T390 PolarHBondContact O-OG1 3.21Å; I387-T390 PolarHBondContact O-N 2.96Å; I387-T390 PolarHBondContact O-OG1 3.47Å; F388-T390 VanDerWaalsContact C-N 3.33Å; F388-T390 PolarHBondContact O-N 3.28Å; T390-S394 VanDerWaalsContact O-CB 3.32Å; T390-S394 WeakPolarHBondContact O-CB 3.34Å; T390-S394 PolarHBondContact O-N 2.51Å; T390-S394 PolarHBondContact O-OG 3.32Å |
| 391 | L | 90.1 | Very high | 89.1 | Confident | 98 Ų | 98 | 93.3 Ų | 93.3 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.3 | -42.1 | 177.8 | -70.1 | 176.2 | 0 | 0 | 0 | 112.3 | I387 F388 S394 S395 | I387-L391 HydrophobicContact CG2-CD1 3.72Å; I387-L391 HydrophobicContact CG2-CG 4.24Å; I387-L391 WeakPolarHBondContact O-CB 3.5Å; I387-L391 WeakPolarHBondContact O-CG 3Å; I387-L391 PolarHBondContact O-N 3.39Å; F388-L391 PolarHBondContact O-N 2.95Å; L391-S394 WeakPolarHBondContact CA-OG 2.99Å; L391-S394 PolarHBondContact O-OG 3.26Å; L391-S395 WeakPolarHBondContact O-CB 3.1Å; L391-S395 PolarHBondContact O-N 3.31Å; L391-S395 PolarHBondContact O-OG 3.34Å |
| 392 | F | 91.5 | Very high | 89.6 | Confident | 131 Ų | 131 | 96 Ų | 96 | 58% | 0.575 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -70.1 | -41.4 | 174.2 | -86.9 | -82.8 | 0 | 0 | 0 | 111.5 | F388 S394 S395 I396 | F388-F392 HydrophobicContact CB-CD2 4.45Å; F388-F392 HydrophobicContact CD1-CD2 4.26Å; F388-F392 AromaticContact CD1-CE2 3.98Å; F388-F392 HydrophobicContact CD1-CE2 3.98Å; F388-F392 VanDerWaalsContact O-CB 3.3Å; F388-F392 WeakPolarHBondContact O-CB 3.48Å; F388-F392 WeakPolarHBondContact O-CD2 3.24Å; F388-F392 PolarHBondContact O-N 3Å; F392-S394 PolarHBondContact O-N 3.2Å; F392-S395 PolarHBondContact O-N 2.93Å; F392-I396 WeakPolarHBondContact O-CB 3.26Å; F392-I396 WeakPolarHBondContact O-CD1 2.99Å; F392-I396 WeakPolarHBondContact O-CG1 3.34Å; F392-I396 PolarHBondContact O-N 3.15Å |
| 393 | G | 89.6 | Confident | 89.9 | Confident | 31 Ų | 31 | 92.1 Ų | 92.1 | 32% | 0.32 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F389 S397 | F389-G393 WeakPolarHBondContact O-CA 3.24Å; F389-G393 PolarHBondContact O-N 3.18Å; G393-S397 WeakPolarHBondContact O-CB 3.33Å; G393-S397 PolarHBondContact O-N 3.37Å; G393-S397 PolarHBondContact O-OG 2.96Å |
| 394 | S | 91.5 | Very high | 90 | Very high | 59 Ų | 59 | 93.7 Ų | 93.7 | 41% | 0.413 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.3 | -42.9 | 174.9 | 54.6 | 0 | 0 | 0 | 0 | 112.2 | T390 L391 F392 I396 S397 V398 | T390-S394 VanDerWaalsContact O-CB 3.32Å; T390-S394 WeakPolarHBondContact O-CB 3.34Å; T390-S394 PolarHBondContact O-N 2.51Å; T390-S394 PolarHBondContact O-OG 3.32Å; L391-S394 WeakPolarHBondContact CA-OG 2.99Å; L391-S394 PolarHBondContact O-OG 3.26Å; F392-S394 PolarHBondContact O-N 3.2Å; S394-I396 PolarHBondContact O-N 2.74Å; S394-S397 WeakPolarHBondContact O-CB 3.45Å; S394-S397 PolarHBondContact O-N 3.16Å; S394-V398 WeakPolarHBondContact O-CG2 3.2Å; S394-V398 PolarHBondContact O-N 2.61Å |
| 395 | S | 88.9 | Confident | 90.2 | Very high | 67 Ų | 67 | 96.2 Ų | 96.2 | 47% | 0.469 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 175.6 | -61.2 | 0 | 0 | 0 | 0 | 112.3 | L391 F392 V398 L399 | L391-S395 WeakPolarHBondContact O-CB 3.1Å; L391-S395 PolarHBondContact O-N 3.31Å; L391-S395 PolarHBondContact O-OG 3.34Å; F392-S395 PolarHBondContact O-N 2.93Å; S395-V398 PolarHBondContact O-N 3.39Å; S395-L399 WeakPolarHBondContact O-CG 3.5Å; S395-L399 PolarHBondContact O-N 3.22Å |
| 396 | I | 92.2 | Very high | 90.3 | Very high | 61 Ų | 61 | 93.5 Ų | 93.5 | 31% | 0.313 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 175 | -70.3 | 165.8 | 0 | 0 | 0 | 110.5 | F392 S394 V398 L399 I400 | F392-I396 WeakPolarHBondContact O-CB 3.26Å; F392-I396 WeakPolarHBondContact O-CD1 2.99Å; F392-I396 WeakPolarHBondContact O-CG1 3.34Å; F392-I396 PolarHBondContact O-N 3.15Å; S394-I396 PolarHBondContact O-N 2.74Å; I396-V398 PolarHBondContact O-N 2.92Å; I396-L399 PolarHBondContact O-N 2.84Å; I396-I400 HydrophobicContact CG2-CD1 3.73Å; I396-I400 HydrophobicContact CG2-CG1 4.35Å; I396-I400 VanDerWaalsContact O-CG1 3.29Å; I396-I400 WeakPolarHBondContact O-CG1 3.28Å; I396-I400 PolarHBondContact O-N 3.19Å |
| 397 | S | 90.6 | Very high | 90.3 | Very high | 56 Ų | 56 | 95.4 Ų | 95.4 | 39% | 0.392 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 177.1 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | G393 S394 L399 I400 F401 | G393-S397 WeakPolarHBondContact O-CB 3.33Å; G393-S397 PolarHBondContact O-N 3.37Å; G393-S397 PolarHBondContact O-OG 2.96Å; S394-S397 WeakPolarHBondContact O-CB 3.45Å; S394-S397 PolarHBondContact O-N 3.16Å; S397-L399 VanDerWaalsContact C-N 3.34Å; S397-L399 PolarHBondContact O-N 3.19Å; S397-I400 PolarHBondContact O-N 3.44Å; S397-F401 WeakPolarHBondContact O-CB 3.48Å; S397-F401 WeakPolarHBondContact O-CD2 3.46Å; S397-F401 PolarHBondContact O-N 3.26Å |
| 398 | V | 92.5 | Very high | 90 | Very high | 99 Ų | 99 | 97.3 Ų | 97.3 | 60% | 0.6 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.8 | -41.4 | 175.9 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | S394 S395 I396 F401 Y402 | S394-V398 WeakPolarHBondContact O-CG2 3.2Å; S394-V398 PolarHBondContact O-N 2.61Å; S395-V398 PolarHBondContact O-N 3.39Å; I396-V398 PolarHBondContact O-N 2.92Å; V398-F401 PolarHBondContact O-N 3.48Å; V398-Y402 VanDerWaalsContact O-CB 3.3Å; V398-Y402 WeakPolarHBondContact O-CB 3.33Å; V398-Y402 PolarHBondContact O-N 3.48Å |
| 399 | L | 92.1 | Very high | 89.8 | Confident | 107 Ų | 107 | 96.8 Ų | 96.8 | 56% | 0.56 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66 | -38.9 | 176.4 | -72.5 | 171.6 | 0 | 0 | 0 | 112.6 | S395 I396 S397 G403 | S395-L399 WeakPolarHBondContact O-CG 3.5Å; S395-L399 PolarHBondContact O-N 3.22Å; I396-L399 PolarHBondContact O-N 2.84Å; S397-L399 VanDerWaalsContact C-N 3.34Å; S397-L399 PolarHBondContact O-N 3.19Å; L399-G403 PolarHBondContact O-N 3.23Å |
| 400 | I | 91.7 | Very high | 89.5 | Confident | 96 Ų | 96 | 94 Ų | 94 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.2 | -47.8 | 174.6 | -68.2 | 167.8 | 0 | 0 | 0 | 109.8 | I396 S397 Y402 G403 L404 | I396-I400 HydrophobicContact CG2-CD1 3.73Å; I396-I400 HydrophobicContact CG2-CG1 4.35Å; I396-I400 VanDerWaalsContact O-CG1 3.29Å; I396-I400 WeakPolarHBondContact O-CG1 3.28Å; I396-I400 PolarHBondContact O-N 3.19Å; S397-I400 PolarHBondContact O-N 3.44Å; I400-Y402 PolarHBondContact O-N 3.27Å; I400-G403 PolarHBondContact O-N 3.27Å; I400-L404 HydrophobicContact CG2-CD1 3.93Å; I400-L404 HydrophobicContact CG2-CG 4.31Å; I400-L404 WeakPolarHBondContact O-CB 3.35Å; I400-L404 VanDerWaalsContact O-CG 3.3Å; I400-L404 WeakPolarHBondContact O-CG 3.34Å; I400-L404 PolarHBondContact O-N 2.68Å |
| 401 | F | 92.4 | Very high | 89.2 | Confident | 150 Ų | 150 | 91.9 Ų | 91.9 | 66% | 0.658 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.1 | -43.4 | 176.4 | -88.1 | -71.5 | 0 | 0 | 0 | 112.1 | S397 V398 L404 W405 | S397-F401 WeakPolarHBondContact O-CB 3.48Å; S397-F401 WeakPolarHBondContact O-CD2 3.46Å; S397-F401 PolarHBondContact O-N 3.26Å; V398-F401 PolarHBondContact O-N 3.48Å; F401-L404 PolarHBondContact O-N 2.84Å; F401-W405 VanDerWaalsContact O-CB 3.23Å; F401-W405 WeakPolarHBondContact O-CB 3.49Å; F401-W405 PolarHBondContact O-N 2.83Å |
| 402 | Y | 91.9 | Very high | 88.7 | Confident | 124 Ų | 124 | 92.5 Ų | 92.5 | 49% | 0.486 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 175.3 | 179.6 | -106.3 | 0 | 0 | 0 | 112 | V398 I400 W405 K406 | V398-Y402 VanDerWaalsContact O-CB 3.3Å; V398-Y402 WeakPolarHBondContact O-CB 3.33Å; V398-Y402 PolarHBondContact O-N 3.48Å; I400-Y402 PolarHBondContact O-N 3.27Å; Y402-W405 HydrophobicContact CD2-CE3 4.05Å; Y402-W405 HydrophobicContact CD2-CZ3 4.44Å; Y402-W405 HydrophobicContact CE2-CE3 4.03Å; Y402-W405 HydrophobicContact CE2-CZ3 4.02Å; Y402-W405 PolarHBondContact O-N 3Å; Y402-K406 HydrophobicContact CE1-CD 4.27Å; Y402-K406 VanDerWaalsContact O-CB 3.28Å; Y402-K406 WeakPolarHBondContact O-CB 3.27Å; Y402-K406 PolarHBondContact O-N 3.13Å |
| 403 | G | 89 | Confident | 88.3 | Confident | 37 Ų | 37 | 91.5 Ų | 91.5 | 38% | 0.381 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L399 I400 K406 C407 | L399-G403 PolarHBondContact O-N 3.23Å; I400-G403 PolarHBondContact O-N 3.27Å; G403-K406 PolarHBondContact O-N 2.88Å; G403-C407 VanDerWaalsContact O-CB 3.22Å; G403-C407 WeakPolarHBondContact O-CB 3.31Å; G403-C407 PolarHBondContact O-N 2.67Å |
| 404 | L | 89.2 | Confident | 88 | Confident | 107 Ų | 107 | 97.1 Ų | 97.1 | 56% | 0.56 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.6 | -44.9 | 175.6 | -70.3 | 174.3 | 0 | 0 | 0 | 111.4 | I400 F401 C407 Q408 | I400-L404 HydrophobicContact CG2-CD1 3.93Å; I400-L404 HydrophobicContact CG2-CG 4.31Å; I400-L404 WeakPolarHBondContact O-CB 3.35Å; I400-L404 VanDerWaalsContact O-CG 3.3Å; I400-L404 WeakPolarHBondContact O-CG 3.34Å; I400-L404 PolarHBondContact O-N 2.68Å; F401-L404 PolarHBondContact O-N 2.84Å; L404-C407 PolarHBondContact O-N 3.2Å; L404-Q408 WeakPolarHBondContact O-CB 3.47Å; L404-Q408 PolarHBondContact O-N 3.26Å |
| 405 | W | 90.4 | Very high | 87.4 | Confident | 147 Ų | 147 | 101.5 Ų | 101.5 | 56% | 0.557 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.4 | -46.5 | 177.2 | -178.5 | 74 | 0 | 0 | 0 | 111.9 | F401 Y402 C407 Q408 Q409 | F401-W405 VanDerWaalsContact O-CB 3.23Å; F401-W405 WeakPolarHBondContact O-CB 3.49Å; F401-W405 PolarHBondContact O-N 2.83Å; Y402-W405 HydrophobicContact CD2-CE3 4.05Å; Y402-W405 HydrophobicContact CD2-CZ3 4.44Å; Y402-W405 HydrophobicContact CE2-CE3 4.03Å; Y402-W405 HydrophobicContact CE2-CZ3 4.02Å; Y402-W405 PolarHBondContact O-N 3Å; W405-C407 PolarHBondContact O-N 3.04Å; W405-Q408 WeakPolarHBondContact O-CB 3.41Å; W405-Q408 PolarHBondContact O-N 3.32Å; W405-Q409 WeakPolarHBondContact O-CG 3.5Å; W405-Q409 PolarHBondContact O-N 3.15Å |
| 406 | K | 88.3 | Confident | 87 | Confident | 112 Ų | 112 | 105 Ų | 105 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 177 | -166.2 | 172.1 | -176.1 | 175.6 | 0 | 111.9 | Y402 G403 Q409 L410 | Y402-K406 HydrophobicContact CE1-CD 4.27Å; Y402-K406 VanDerWaalsContact O-CB 3.28Å; Y402-K406 WeakPolarHBondContact O-CB 3.27Å; Y402-K406 PolarHBondContact O-N 3.13Å; G403-K406 PolarHBondContact O-N 2.88Å; K406-Q409 PolarHBondContact O-N 2.79Å; K406-L410 PolarHBondContact O-N 2.99Å |
| 407 | C | 85.6 | Confident | 86.4 | Confident | 75 Ų | 75 | 106 Ų | 106 | 51% | 0.507 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 174 | -161.8 | 0 | 0 | 0 | 0 | 111.5 | G403 L404 W405 L410 S411 | G403-C407 VanDerWaalsContact O-CB 3.22Å; G403-C407 WeakPolarHBondContact O-CB 3.31Å; G403-C407 PolarHBondContact O-N 2.67Å; L404-C407 PolarHBondContact O-N 3.2Å; W405-C407 PolarHBondContact O-N 3.04Å; C407-L410 PolarHBondContact O-N 3.23Å; C407-S411 WeakPolarHBondContact O-CB 3.34Å; C407-S411 PolarHBondContact O-N 3.08Å |
| 408 | Q | 85.4 | Confident | 85.7 | Confident | 129 Ų | 129 | 111.7 Ų | 111.7 | 60% | 0.603 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.5 | -43.4 | 174.5 | -172.5 | 177.7 | -3.2 | 0 | 0 | 111.5 | L404 W405 L410 S411 M412 | L404-Q408 WeakPolarHBondContact O-CB 3.47Å; L404-Q408 PolarHBondContact O-N 3.26Å; W405-Q408 WeakPolarHBondContact O-CB 3.41Å; W405-Q408 PolarHBondContact O-N 3.32Å; Q408-L410 PolarHBondContact O-N 3.43Å; Q408-S411 WeakPolarHBondContact O-CB 3.5Å; Q408-S411 PolarHBondContact O-N 2.64Å; Q408-M412 WeakPolarHBondContact O-CG 3.4Å; Q408-M412 PolarHBondContact O-N 3Å |
| 409 | Q | 84.4 | Confident | 85.1 | Confident | 104 Ų | 104 | 116.3 Ų | 116.3 | 49% | 0.486 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.7 | -46.8 | 173.4 | -75 | -69.7 | -10.5 | 0 | 0 | 112 | W405 K406 S411 M412 H413 | W405-Q409 WeakPolarHBondContact O-CG 3.5Å; W405-Q409 PolarHBondContact O-N 3.15Å; K406-Q409 PolarHBondContact O-N 2.79Å; Q409-S411 VanDerWaalsContact C-N 3.32Å; Q409-S411 PolarHBondContact O-N 2.88Å; Q409-M412 PolarHBondContact O-N 2.91Å; Q409-H413 PolarHBondContact O-N 2.87Å |
| 410 | L | 82.9 | Confident | 84.5 | Confident | 90 Ų | 90 | 118.6 Ų | 118.6 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.8 | -35.8 | 175.5 | -79.5 | 160 | 0 | 0 | 0 | 112.7 | K406 C407 Q408 R414 | K406-L410 PolarHBondContact O-N 2.99Å; C407-L410 PolarHBondContact O-N 3.23Å; Q408-L410 PolarHBondContact O-N 3.43Å; L410-R414 WeakPolarHBondContact O-CB 3.4Å; L410-R414 WeakPolarHBondContact O-CG 3.41Å; L410-R414 PolarHBondContact O-N 2.93Å |
| 411 | S | 83.4 | Confident | 83.8 | Confident | 49 Ų | 49 | 121.9 Ų | 121.9 | 34% | 0.343 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.8 | -44.3 | 174.9 | -176.9 | 0 | 0 | 0 | 0 | 111.5 | C407 Q408 Q409 R414 R415 | C407-S411 WeakPolarHBondContact O-CB 3.34Å; C407-S411 PolarHBondContact O-N 3.08Å; Q408-S411 WeakPolarHBondContact O-CB 3.5Å; Q408-S411 PolarHBondContact O-N 2.64Å; Q409-S411 VanDerWaalsContact C-N 3.32Å; Q409-S411 PolarHBondContact O-N 2.88Å; S411-R414 PolarHBondContact O-N 3.12Å; S411-R415 WeakPolarHBondContact O-CG 3.31Å; S411-R415 PolarHBondContact O-N 3.44Å |
| 412 | M | 79.4 | Confident | 83 | Confident | 112 Ų | 112 | 122.4 Ų | 122.4 | 55% | 0.552 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.3 | -44.9 | 174.5 | -71.5 | -73.2 | -82.9 | 0 | 0 | 111.3 | Q408 Q409 R414 R415 Y416 | Q408-M412 WeakPolarHBondContact O-CG 3.4Å; Q408-M412 PolarHBondContact O-N 3Å; Q409-M412 PolarHBondContact O-N 2.91Å; M412-R414 PolarHBondContact O-N 3.41Å; M412-R415 PolarHBondContact O-N 3.12Å; M412-Y416 PolarHBondContact O-N 3.24Å |
| 413 | H | 83.3 | Confident | 81.9 | Confident | 109 Ų | 109 | 119.7 Ų | 119.7 | 51% | 0.505 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.1 | -40.9 | 176.1 | -165.6 | -15.1 | 0 | 0 | 0 | 112 | Q409 Y416 L417 | Q409-H413 PolarHBondContact O-N 2.87Å; H413-Y416 WeakPolarHBondContact O-CB 3.35Å; H413-Y416 PolarHBondContact O-N 3.12Å; H413-L417 WeakPolarHBondContact O-CG 3.41Å; H413-L417 PolarHBondContact O-N 2.85Å |
| 414 | R | 82.1 | Confident | 80.9 | Confident | 149 Ų | 149 | 123.4 Ų | 123.4 | 56% | 0.562 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.6 | -40.6 | 174.3 | -80.3 | -170.7 | -105.3 | -165.2 | -3.7 | 112.3 | L410 S411 M412 L417 R418 | L410-R414 WeakPolarHBondContact O-CB 3.4Å; L410-R414 WeakPolarHBondContact O-CG 3.41Å; L410-R414 PolarHBondContact O-N 2.93Å; S411-R414 PolarHBondContact O-N 3.12Å; M412-R414 PolarHBondContact O-N 3.41Å; R414-L417 PolarHBondContact O-N 2.66Å; R414-R418 WeakPolarHBondContact O-CG 3.45Å; R414-R418 PolarHBondContact O-N 3.04Å |
| 415 | R | 80.2 | Confident | 79.7 | Confident | 152 Ų | 152 | 125.5 Ų | 125.5 | 57% | 0.574 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.9 | -41.7 | 174.8 | -75 | 178.9 | -177.1 | -177.1 | -0 | 111.4 | S411 M412 R418 R419 | S411-R415 WeakPolarHBondContact O-CG 3.31Å; S411-R415 PolarHBondContact O-N 3.44Å; M412-R415 PolarHBondContact O-N 3.12Å; R415-R418 PolarHBondContact O-N 3Å; R415-R419 WeakPolarHBondContact O-CG 3.41Å; R415-R419 PolarHBondContact O-N 2.87Å |
| 416 | Y | 79.9 | Confident | 78.2 | Confident | 139 Ų | 139 | 126.1 Ų | 126.1 | 55% | 0.545 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59.7 | -48.3 | 174 | 175 | -106 | 0 | 0 | 0 | 111.9 | M412 H413 R418 R419 R420 | M412-Y416 PolarHBondContact O-N 3.24Å; H413-Y416 WeakPolarHBondContact O-CB 3.35Å; H413-Y416 PolarHBondContact O-N 3.12Å; Y416-R418 PolarHBondContact O-N 3.03Å; Y416-R419 PolarHBondContact O-N 3.18Å; Y416-R420 PolarHBondContact O-N 3.12Å |
| 417 | L | 79.1 | Confident | 76.7 | Confident | 84 Ų | 84 | 127.9 Ų | 127.9 | 44% | 0.44 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.4 | -37.7 | 177.2 | -70 | 171.1 | 0 | 0 | 0 | 112.7 | H413 R414 R420 K421 | H413-L417 WeakPolarHBondContact O-CG 3.41Å; H413-L417 PolarHBondContact O-N 2.85Å; R414-L417 PolarHBondContact O-N 2.66Å; L417-R420 PolarHBondContact O-N 3.27Å; L417-K421 PolarHBondContact O-N 3.43Å |
| 418 | R | 77.6 | Confident | 75.2 | Confident | 175 Ų | 175 | 129.1 Ų | 129.1 | 66% | 0.66 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.9 | -41.8 | 174.4 | -75.1 | 178.9 | -176 | 175.4 | 1.3 | 112.2 | R414 R415 Y416 K421 K422 | R414-R418 WeakPolarHBondContact O-CG 3.45Å; R414-R418 PolarHBondContact O-N 3.04Å; R415-R418 PolarHBondContact O-N 3Å; Y416-R418 PolarHBondContact O-N 3.03Å; R418-K421 PolarHBondContact O-N 2.79Å; R418-K422 WeakPolarHBondContact O-CG 2.79Å; R418-K422 PolarHBondContact O-N 3.01Å |
| 419 | R | 79.6 | Confident | 73.8 | Confident | 195 Ų | 195 | 126.3 Ų | 126.3 | 74% | 0.736 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.6 | -43.6 | 175 | -75.1 | -178.8 | -179.7 | 179.3 | -0.1 | 111.1 | R415 Y416 K421 K422 S423 | R415-R419 WeakPolarHBondContact O-CG 3.41Å; R415-R419 PolarHBondContact O-N 2.87Å; Y416-R419 PolarHBondContact O-N 3.18Å; R419-K421 PolarHBondContact O-N 2.82Å; R419-K422 PolarHBondContact O-N 2.87Å; R419-S423 PolarHBondContact O-N 2.87Å |
| 420 | R | 78.8 | Confident | 72.1 | Confident | 155 Ų | 155 | 129.2 Ų | 129.2 | 59% | 0.585 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.8 | -39.1 | 176.6 | -170.4 | 175.1 | 170.3 | 170.4 | -2.5 | 113 | Y416 L417 S423 L424 | Y416-R420 PolarHBondContact O-N 3.12Å; L417-R420 PolarHBondContact O-N 3.27Å; R420-S423 PolarHBondContact O-OG 3.36Å; R420-L424 PolarHBondContact O-N 2.02Å; R420-L424 VanDerWaalsContact O-N 3.17Å |
| 421 | K | 76.1 | Confident | 70.5 | Confident | 165 Ų | 165 | 132.5 Ų | 132.5 | 72% | 0.717 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.1 | -40 | 172.3 | -77.9 | -170.1 | 177.7 | -173.6 | 0 | 112.2 | L417 R418 R419 L424 F425 | L417-K421 PolarHBondContact O-N 3.43Å; R418-K421 PolarHBondContact O-N 2.79Å; R419-K421 PolarHBondContact O-N 2.82Å; K421-L424 PolarHBondContact O-N 2.83Å; K421-F425 PolarHBondContact O-N 3.31Å |
| 422 | K | 75.6 | Confident | 68.7 | Low | 162 Ų | 162 | 139.2 Ų | 139.2 | 70% | 0.704 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.6 | -39 | 177 | -76.8 | -174 | 176.8 | -171.2 | 0 | 112.9 | R418 R419 L424 F425 K426 | R418-K422 WeakPolarHBondContact O-CG 2.79Å; R418-K422 PolarHBondContact O-N 3.01Å; R419-K422 PolarHBondContact O-N 2.87Å; K422-L424 VanDerWaalsContact C-N 3.34Å; K422-F425 PolarHBondContact O-N 3.16Å; K422-K426 PolarHBondContact O-N 3.12Å |
| 423 | S | 69.4 | Low | 66.5 | Low | 67 Ų | 67 | 140.3 Ų | 140.3 | 47% | 0.469 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -66.1 | -37.8 | 175.5 | 63.8 | 0 | 0 | 0 | 0 | 111.8 | R419 R420 K426 H427 | R419-S423 PolarHBondContact O-N 2.87Å; R420-S423 PolarHBondContact O-OG 3.36Å; S423-K426 PolarHBondContact O-N 3.48Å; S423-H427 PolarHBondContact O-N 3.48Å |
| 424 | L | 69.2 | Low | 64.3 | Low | 114 Ų | 114 | 139.8 Ų | 139.8 | 60% | 0.597 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -63.8 | -41 | 173.1 | -142.8 | 92.4 | 0 | 0 | 0 | 111.7 | R420 K421 K422 H427 N428 | R420-L424 PolarHBondContact O-N 2.02Å; R420-L424 VanDerWaalsContact O-N 3.17Å; K421-L424 PolarHBondContact O-N 2.83Å; K422-L424 VanDerWaalsContact C-N 3.34Å; L424-H427 PolarHBondContact O-N 2.97Å; L424-N428 PolarHBondContact O-N 3.36Å |
| 425 | F | 63.4 | Low | 62.2 | Low | 152 Ų | 152 | 141.3 Ų | 141.3 | 67% | 0.667 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -69.7 | -34.5 | 179.1 | -131.8 | -87.4 | 0 | 0 | 0 | 112.9 | K421 K422 H427 N428 S429 | K421-F425 PolarHBondContact O-N 3.31Å; K422-F425 PolarHBondContact O-N 3.16Å; F425-H427 VanDerWaalsContact C-N 3.32Å; F425-N428 CarbonylContact O-C 3.45Å; F425-N428 PolarHBondContact O-N 3.41Å; F425-N428 VanDerWaalsContact O-N 3.12Å; F425-S429 WeakPolarHBondContact O-CB 3.42Å; F425-S429 PolarHBondContact O-N 3.45Å; F425-S429 PolarHBondContact O-OG 3.02Å |
| 426 | K | 59.7 | Low | 60.3 | Low | 159 Ų | 159 | 139.8 Ų | 139.8 | 69% | 0.691 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -68.2 | -33.1 | 176.3 | -149.1 | 179.8 | -173 | -173.5 | 0 | 111.9 | K422 S423 N428 | K422-K426 PolarHBondContact O-N 3.12Å; S423-K426 PolarHBondContact O-N 3.48Å; K426-N428 VanDerWaalsContact C-N 3.34Å |
| 427 | H | 55.8 | Low | 57.9 | Low | 149 Ų | 149 | 138.9 Ų | 138.9 | 69% | 0.69 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -66.1 | -34.6 | 169 | -105.3 | -72.7 | 0 | 0 | 0 | 112.5 | S423 L424 F425 | S423-H427 PolarHBondContact O-N 3.48Å; L424-H427 PolarHBondContact O-N 2.97Å; F425-H427 VanDerWaalsContact C-N 3.32Å |
| 428 | N | 53.8 | Low | 55.9 | Low | 101 Ų | 101 | 141.9 Ų | 141.9 | 54% | 0.54 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -83.2 | -29.8 | 179.5 | -79.7 | -5 | 0 | 0 | 0 | 114.3 | L424 F425 K426 M431 | L424-N428 PolarHBondContact O-N 3.36Å; F425-N428 CarbonylContact O-C 3.45Å; F425-N428 PolarHBondContact O-N 3.41Å; F425-N428 VanDerWaalsContact O-N 3.12Å; K426-N428 VanDerWaalsContact C-N 3.34Å; N428-M431 PolarHBondContact O-N 3.22Å |
| 429 | S | 55.2 | Low | 53.8 | Low | 71 Ų | 71 | 141.2 Ų | 141.2 | 50% | 0.497 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -79.5 | -15.7 | -177 | 68.1 | 0 | 0 | 0 | 0 | 113.8 | F425 M431 | F425-S429 WeakPolarHBondContact O-CB 3.42Å; F425-S429 PolarHBondContact O-N 3.45Å; F425-S429 PolarHBondContact O-OG 3.02Å; S429-M431 PolarHBondContact O-N 2.88Å |
| 430 | Q | 50.1 | Low | 51.6 | Low | 165 Ų | 165 | 136.1 Ų | 136.1 | 77% | 0.771 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -12.3 | 166.5 | -78.8 | -177 | -21.8 | 0 | 0 | 112.6 | ||
| 431 | M | 48.8 | Very low | 49.5 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 78% | 0.783 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -1.2 | -177.4 | -77.3 | -169 | 162.8 | 0 | 0 | 115.7 | N428 S429 | N428-M431 PolarHBondContact O-N 3.22Å; S429-M431 PolarHBondContact O-N 2.88Å |
| 432 | K | 44.9 | Very low | 47.5 | Very low | 189 Ų | 189 | 137.2 Ų | 137.2 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | trans | -138.8 | 80.6 | -173.6 | -69.4 | -172 | 178.2 | -176.6 | 0 | 114.4 | ||||
| 433 | T | 34.5 | Very low | 45.3 | Very low | 135 Ų | 135 | 133 Ų | 133 | 83% | 0.828 | 71% | 0.714 | S | S | * | * | trans | -107.1 | 106.2 | 160.6 | 48.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 434 | S | 36.7 | Very low | 43.5 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 69% | 0.692 | 73% | 0.734 | S | S | * | * | trans | -175.7 | 107.5 | 160.3 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 435 | H | 38.2 | Very low | 41.5 | Very low | 180 Ų | 180 | 140.5 Ų | 140.5 | 83% | 0.833 | 74% | 0.743 | S | S | * | * | trans | 67.1 | 162.3 | 134.9 | -63 | -61.3 | 0 | 0 | 0 | 122.1 | ||||
| 436 | P | 39.7 | Very low | 39.9 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | -134.7 | -179.4 | -79.4 | 34.4 | -11.4 | 0 | 0 | 0 | 115 | |||||
| 437 | V | 30.1 | Very low | 38.4 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -79.2 | 149.9 | -171.4 | 174.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 438 | N | 35.8 | Very low | 36.9 | Very low | 147 Ų | 147 | 136 Ų | 136 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | -156.3 | 111.5 | 148.6 | -95.2 | -20.5 | 0 | 0 | 0 | 108.3 | ||||
| 439 | H | 34.7 | Very low | 35.6 | Very low | 162 Ų | 162 | 136.7 Ų | 136.7 | 75% | 0.75 | 76% | 0.761 | S | S | * | * | 56.9 | 133.4 | 93.2 | -72.9 | -63.8 | 0 | 0 | 0 | 113.1 | |||||
| 440 | S | 33.4 | Very low | 34.3 | Very low | 87 Ų | 87 | 139.3 Ų | 139.3 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | cis | 177.5 | 148.1 | 4.4 | 42 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 441 | N | 35.5 | Very low | 33.1 | Very low | 151 Ų | 151 | 140.2 Ų | 140.2 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | trans | 165.7 | 95.5 | 146.9 | -85.6 | -11.7 | 0 | 0 | 0 | 108.3 | ||||
| 442 | H | 33 | Very low | 31.9 | Very low | 193 Ų | 193 | 140 Ų | 140 | 89% | 0.894 | 78% | 0.777 | S | S | * | * | 65.5 | 117.3 | 83.3 | -87.2 | -63.2 | 0 | 0 | 0 | 116.1 | |||||
| 443 | G | 29.5 | Very low | 31.1 | Very low | 74 Ų | 74 | 137 Ų | 137 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | trans | 112.4 | 115 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 444 | S | 32.7 | Very low | 30.7 | Very low | 127 Ų | 127 | 135.1 Ų | 135.1 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | cis | -159.5 | 148.9 | 22.4 | 31.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 445 | R | 27 | Very low | 30.2 | Very low | 211 Ų | 211 | 139.2 Ų | 139.2 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | trans | -77.5 | 117.8 | -170.8 | -178.2 | 178.7 | 179.5 | 167.7 | -2.4 | 111.2 | ||||
| 446 | V | 29.7 | Very low | 29.6 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -123 | 107.1 | 151.9 | 177.8 | 0 | 0 | 0 | 0 | 106.4 | S448 | V446-S448 PolarHBondContact O-N 2.84Š| ||
| 447 | N | 26.7 | Very low | 29 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 62% | 0.615 | 79% | 0.786 | S | S | * | * | trans | -78.1 | 103.2 | 175.3 | -77.7 | -5.4 | 0 | 0 | 0 | 108.7 | ||||
| 448 | S | 25.8 | Very low | 28.8 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -110.1 | 79.8 | 153.2 | 54 | 0 | 0 | 0 | 0 | 108.8 | V446 | V446-S448 PolarHBondContact O-N 2.84Š| ||
| 449 | T | 25.3 | Very low | 28.3 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 71% | 0.712 | 79% | 0.791 | S | S | * | * | trans | -88.7 | 129.9 | 155.6 | 47.5 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 450 | V | 29 | Very low | 27.7 | Very low | 126 Ų | 126 | 139 Ų | 139 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | -162.2 | 110.1 | 58.3 | 168.9 | 0 | 0 | 0 | 0 | 105.2 | |||||
| 451 | K | 25.4 | Very low | 27.5 | Very low | 184 Ų | 184 | 141.7 Ų | 141.7 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | 58.2 | 101.4 | 101 | -89.6 | -175.3 | 177.2 | -178.3 | 0 | 115.5 | |||||
| 452 | D | 23.4 | Very low | 26.9 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | -5.5 | 121.5 | 133.2 | -61.4 | -46.2 | 0 | 0 | 0 | 116.1 | ||||
| 453 | S | 28.2 | Very low | 26.6 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | trans | -135.3 | 77.4 | 140.3 | 47.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 454 | A | 24.6 | Very low | 26.5 | Very low | 95 Ų | 95 | 144.3 Ų | 144.3 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -100.3 | 98 | 161.4 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 455 | E | 26.1 | Very low | 26.2 | Very low | 185 Ų | 185 | 148.3 Ų | 148.3 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -124.8 | 147 | 162 | -94.4 | -170.2 | 161.8 | 0 | 0 | 109.7 | ||||
| 456 | P | 26.5 | Very low | 26.1 | Very low | 117 Ų | 117 | 146.4 Ų | 146.4 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | trans | -103.1 | 135.2 | -134.3 | 34.7 | -28.4 | 0 | 0 | 0 | 112.1 | L458 | P456-L458 PolarHBondContact O-N 2.76Š| ||
| 457 | I | 27.8 | Very low | 25.9 | Very low | 167 Ų | 167 | 147.1 Ų | 147.1 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | -83.4 | 112.8 | 166.7 | -59 | 173.8 | 0 | 0 | 0 | 107.8 | ||||
| 458 | L | 24.8 | Very low | 25.7 | Very low | 157 Ų | 157 | 149.7 Ų | 149.7 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -56.3 | 123.7 | 179.6 | -167 | 75 | 0 | 0 | 0 | 111.4 | P456 N460 | P456-L458 PolarHBondContact O-N 2.76Å; L458-N460 PolarHBondContact O-N 2.89Å | ||
| 459 | I | 24.6 | Very low | 25.7 | Very low | 156 Ų | 156 | 152.5 Ų | 152.5 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | trans | -82.2 | 106 | 168.4 | -62.6 | 166 | 0 | 0 | 0 | 107 | ||||
| 460 | N | 23.7 | Very low | 25.6 | Very low | 126 Ų | 126 | 153.5 Ų | 153.5 | 67% | 0.674 | 79% | 0.792 | S | S | * | * | trans | -173.7 | 109.6 | 150.7 | -94.9 | -6.8 | 0 | 0 | 0 | 109.7 | L458 | L458-N460 PolarHBondContact O-N 2.89Š| ||
| 461 | D | 27.7 | Very low | 25.4 | Very low | 145 Ų | 145 | 154.6 Ų | 154.6 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | 159.3 | 92 | 135.4 | -79.8 | -10.8 | 0 | 0 | 0 | 107.7 | ||||
| 462 | F | 24.4 | Very low | 25.3 | Very low | 168 Ų | 168 | 153.2 Ų | 153.2 | 74% | 0.737 | 79% | 0.794 | S | S | * | * | 70.3 | 108.7 | 94 | -95.3 | -94.4 | 0 | 0 | 0 | 113.9 | |||||
| 463 | H | 25.2 | Very low | 25.4 | Very low | 165 Ų | 165 | 151.6 Ų | 151.6 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | trans | 36.1 | 99.2 | 139.8 | -72.2 | -80 | 0 | 0 | 0 | 117.4 | ||||
| 464 | T | 27.4 | Very low | 25.1 | Very low | 139 Ų | 139 | 151.6 Ų | 151.6 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | 176.9 | 102.3 | 131.3 | 33.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 465 | R | 27.3 | Very low | 25.1 | Very low | 212 Ų | 212 | 151.2 Ų | 151.2 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | 163 | 91.3 | 130.6 | -95.5 | 179.3 | 166.5 | 138.7 | -0.2 | 109.6 | Q467 | R465-Q467 VanDerWaalsContact C-N 3.28Å; R465-Q467 PolarHBondContact O-N 2.89Å; R465-Q467 VanDerWaalsContact O-N 3.09Å | ||
| 466 | D | 23.7 | Very low | 25.2 | Very low | 170 Ų | 170 | 149.7 Ų | 149.7 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | -58 | 97.4 | 140.2 | -67.3 | -52.5 | 0 | 0 | 0 | 107.6 | ||||
| 467 | Q | 25.8 | Very low | 25 | Very low | 150 Ų | 150 | 151.8 Ų | 151.8 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -156.3 | 104.5 | 163.5 | -111.7 | 167 | 8.4 | 0 | 0 | 109.8 | R465 | R465-Q467 VanDerWaalsContact C-N 3.28Å; R465-Q467 PolarHBondContact O-N 2.89Å; R465-Q467 VanDerWaalsContact O-N 3.09Å | ||
| 468 | K | 24.3 | Very low | 24.8 | Very low | 169 Ų | 169 | 154.2 Ų | 154.2 | 74% | 0.735 | 79% | 0.785 | S | S | * | * | trans | 52.1 | 95.7 | 158.2 | -83.4 | -176.8 | 163.1 | -162.2 | 0 | 117.3 | E470 | K468-E470 VanDerWaalsContact C-N 3.33Å; K468-E470 IonicContact NZ-OE1 3.56Å; K468-E470 PolarHBondContact O-N 2.93Å; K468-E470 VanDerWaalsContact O-N 3.12Å | ||
| 469 | I | 25.1 | Very low | 24.9 | Very low | 174 Ų | 174 | 156.8 Ų | 156.8 | 89% | 0.892 | 79% | 0.791 | S | S | * | * | trans | -71.4 | 90.2 | 154.3 | -58.1 | 166.8 | 0 | 0 | 0 | 107 | ||||
| 470 | E | 23.4 | Very low | 24.8 | Very low | 137 Ų | 137 | 152.2 Ų | 152.2 | 64% | 0.64 | 78% | 0.781 | S | S | * | * | trans | -119.6 | 112.4 | 160.5 | -87.7 | 172.8 | -165.1 | 0 | 0 | 107.5 | K468 | K468-E470 VanDerWaalsContact C-N 3.33Å; K468-E470 IonicContact NZ-OE1 3.56Å; K468-E470 PolarHBondContact O-N 2.93Å; K468-E470 VanDerWaalsContact O-N 3.12Å | ||
| 471 | N | 23.2 | Very low | 24.6 | Very low | 150 Ų | 150 | 155.5 Ų | 155.5 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | 68.6 | 86.3 | 159.4 | -54.3 | -18.6 | 0 | 0 | 0 | 118.2 | ||||
| 472 | I | 24.9 | Very low | 24.4 | Very low | 155 Ų | 155 | 155.2 Ų | 155.2 | 80% | 0.795 | 80% | 0.796 | S | S | * | * | trans | -95.3 | 115.6 | 150.2 | -58.6 | 171.4 | 0 | 0 | 0 | 106.9 | V474 | I472-V474 PolarHBondContact O-N 2.88Š| ||
| 473 | P | 24 | Very low | 24.3 | Very low | 120 Ų | 120 | 150.8 Ų | 150.8 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 126.3 | -178.7 | 26.7 | -30.6 | 0 | 0 | 0 | 110.8 | ||
| 474 | V | 23.7 | Very low | 24 | Very low | 126 Ų | 126 | 146.7 Ų | 146.7 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 124.5 | 174.5 | 179.8 | 0 | 0 | 0 | 0 | 107.9 | I472 | I472-V474 PolarHBondContact O-N 2.88Š|
| 475 | A | 23.7 | Very low | 23.8 | Very low | 87 Ų | 87 | 145.2 Ų | 145.2 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -80 | 135 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110 | D477 | A475-D477 VanDerWaalsContact C-N 3.31Å; A475-D477 PolarHBondContact O-N 2.89Å |
| 476 | D | 27.3 | Very low | 23.5 | Very low | 154 Ų | 154 | 145.6 Ų | 145.6 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -74.2 | 14.6 | -158.6 | -81.4 | -38.2 | 0 | 0 | 0 | 118.2 | ||
| 477 | D | 24.1 | Very low | 23.3 | Very low | 160 Ų | 160 | 145 Ų | 145 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | -126.4 | 44.2 | -173 | -72.7 | -36.5 | 0 | 0 | 0 | 115.3 | A475 | A475-D477 VanDerWaalsContact C-N 3.31Å; A475-D477 PolarHBondContact O-N 2.89Å | ||
| 478 | Y | 22 | Very low | 23 | Very low | 218 Ų | 218 | 146 Ų | 146 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -117.4 | 67 | 177.6 | -136.1 | -91.7 | 0 | 0 | 0 | 114 | ||||
| 479 | F | 26.9 | Very low | 22.7 | Very low | 212 Ų | 212 | 143.1 Ų | 143.1 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | trans | -95.2 | 90.3 | 158.4 | -82.8 | -81.9 | 0 | 0 | 0 | 109.6 | Q481 | F479-Q481 PolarHBondContact O-N 3.48Š| ||
| 480 | G | 22.2 | Very low | 22.7 | Very low | 59 Ų | 59 | 139.6 Ų | 139.6 | 61% | 0.608 | 80% | 0.801 | S | S | * | * | trans | -67.1 | 114.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 481 | Q | 20.5 | Very low | 22.8 | Very low | 195 Ų | 195 | 138.2 Ų | 138.2 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | trans | -69 | 118.9 | 160.4 | -68.7 | 175.3 | -8.1 | 0 | 0 | 108.9 | F479 | F479-Q481 PolarHBondContact O-N 3.48Š| ||
| 482 | T | 23.5 | Very low | 22.7 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -128.2 | 109.9 | 167 | 53.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 483 | G | 22.4 | Very low | 22.7 | Very low | 76 Ų | 76 | 139.1 Ų | 139.1 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | 96 | 86.9 | 129.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 484 | G | 19.2 | Very low | 22.5 | Very low | 78 Ų | 78 | 138.1 Ų | 138.1 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -64.7 | 134.3 | 151.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 485 | S | 22.1 | Very low | 22.4 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -117 | 123.5 | 169 | 68.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 486 | Y | 21.7 | Very low | 22.3 | Very low | 219 Ų | 219 | 139.2 Ų | 139.2 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | trans | -47.3 | 129.9 | -178.6 | -60.5 | -93.2 | 0 | 0 | 0 | 114.8 | L488 | Y486-L488 PolarHBondContact O-N 2.77Š| ||
| 487 | I | 19.5 | Very low | 22 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | -77 | 113.8 | 167.2 | -62.5 | 169.2 | 0 | 0 | 0 | 107.6 | ||||
| 488 | L | 20.2 | Very low | 21.6 | Very low | 170 Ų | 170 | 137.7 Ų | 137.7 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | -95.9 | 114.1 | 164.8 | -91.6 | 156.6 | 0 | 0 | 0 | 108.7 | Y486 | Y486-L488 PolarHBondContact O-N 2.77Š| ||
| 489 | S | 17.4 | Very low | 21.6 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | -73.8 | 134.8 | 174.7 | -42.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 490 | A | 24.3 | Very low | 21.2 | Very low | 99 Ų | 99 | 135.2 Ų | 135.2 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -166.4 | 151.1 | 153.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 491 | P | 26.2 | Very low | 21.3 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | trans | -118.6 | 161.5 | -130.3 | 39 | -28.6 | 0 | 0 | 0 | 115.9 | ||||
| 492 | N | 21.5 | Very low | 21.2 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | 38 | 97.5 | 141.9 | -62.2 | -18 | 0 | 0 | 0 | 118.2 | V494 | N492-V494 HydrophobicContact CB-CG2 4.46Š| ||
| 493 | L | 25.4 | Very low | 21.1 | Very low | 182 Ų | 182 | 138.8 Ų | 138.8 | 95% | 0.953 | 78% | 0.778 | S | S | * | * | trans | -108.8 | 114.8 | 143.3 | -123.9 | 84.2 | 0 | 0 | 0 | 108.2 | ||||
| 494 | V | 19.4 | Very low | 21 | Very low | 98 Ų | 98 | 143.5 Ų | 143.5 | 59% | 0.594 | 78% | 0.78 | S | S | * | * | trans | -114.5 | 148.9 | -174.5 | 159.3 | 0 | 0 | 0 | 0 | 106.9 | N492 | N492-V494 HydrophobicContact CB-CG2 4.46Š| ||
| 495 | N | 21.5 | Very low | 21 | Very low | 138 Ų | 138 | 146.2 Ų | 146.2 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | trans | 80.2 | 139.4 | 164.1 | -69 | -6.4 | 0 | 0 | 0 | 117 | ||||
| 496 | T | 21.4 | Very low | 20.9 | Very low | 98 Ų | 98 | 150.3 Ų | 150.3 | 60% | 0.601 | 78% | 0.78 | S | S | * | * | cis | -175.5 | 144.1 | 16.5 | 13.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 497 | E | 20 | Very low | 20.7 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | 51 | 115.4 | 134.3 | -61.2 | 166.8 | -178.5 | 0 | 0 | 119.1 | ||||
| 498 | C | 15.6 | Very low | 20.8 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | 44.5 | 98.1 | 65.2 | -77.2 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 499 | Y | 22.2 | Very low | 20.7 | Very low | 218 Ų | 218 | 141.6 Ų | 141.6 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | -144 | 143.6 | 150.7 | -110.9 | -81.7 | 0 | 0 | 0 | 112.1 | ||||
| 500 | E | 18.5 | Very low | 21 | Very low | 160 Ų | 160 | 142.8 Ų | 142.8 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -66.4 | 161.2 | -174.2 | -53.1 | -179.8 | 132.1 | 0 | 0 | 115.9 | ||||
| 501 | N | 24.1 | Very low | 20.6 | Very low | 144 Ų | 144 | 146.4 Ų | 146.4 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | 174.4 | 120.6 | 124.9 | -87.6 | -42.1 | 0 | 0 | 0 | 109.1 | |||||
| 502 | R | 19.9 | Very low | 20.4 | Very low | 225 Ų | 225 | 148.5 Ų | 148.5 | 85% | 0.849 | 78% | 0.782 | S | S | * | * | 95.8 | 126.5 | 66.5 | -139.9 | -179.9 | -160.1 | -172.3 | 5.6 | 113.6 | |||||
| 503 | S | 20.5 | Very low | 20.2 | Very low | 99 Ų | 99 | 148 Ų | 148 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | trans | 66.8 | 111.6 | 149.6 | 59.4 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 504 | Q | 20 | Very low | 20 | Very low | 174 Ų | 174 | 147.5 Ų | 147.5 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | 37 | 130.5 | 117.5 | -73.3 | 179 | -16.9 | 0 | 0 | 122.1 | |||||
| 505 | N | 20 | Very low | 20 | Very low | 135 Ų | 135 | 152.1 Ų | 152.1 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | 86.8 | 136.6 | 143.5 | -68.2 | -12.8 | 0 | 0 | 0 | 121 | ||||
| 506 | F | 19.8 | Very low | 20 | Very low | 196 Ų | 196 | 151 Ų | 151 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | 106.5 | 119.4 | 155.5 | -85 | -83.9 | 0 | 0 | 0 | 120.1 | ||||
| 507 | T | 17.9 | Very low | 20.3 | Very low | 131 Ų | 131 | 151.2 Ų | 151.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -56.2 | 145.8 | 165 | 46 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 508 | G | 21.1 | Very low | 20.2 | Very low | 75 Ų | 75 | 151.4 Ų | 151.4 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -153.7 | 118.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 509 | D | 18.7 | Very low | 20.4 | Very low | 158 Ų | 158 | 150.5 Ų | 150.5 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -55.5 | 143.9 | 176.3 | -63.6 | -60 | 0 | 0 | 0 | 114 | ||||
| 510 | V | 22.5 | Very low | 20.2 | Very low | 134 Ų | 134 | 146.4 Ų | 146.4 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -143.6 | 106.1 | 144.6 | -176.2 | 0 | 0 | 0 | 0 | 109.4 | I512 | V510-I512 HydrophobicContact CG1-CD1 4.48Å; V510-I512 HydrophobicContact CG1-CG1 4.15Å | ||
| 511 | M | 17.1 | Very low | 20.4 | Very low | 175 Ų | 175 | 144.6 Ų | 144.6 | 86% | 0.862 | 80% | 0.798 | S | S | * | * | trans | -78.1 | 136.4 | 162.3 | -75.8 | -102 | -78.1 | 0 | 0 | 109.7 | ||||
| 512 | I | 21.4 | Very low | 20.2 | Very low | 154 Ų | 154 | 146.8 Ų | 146.8 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -132 | 116.4 | 158 | -59 | 179.3 | 0 | 0 | 0 | 108.3 | V510 | V510-I512 HydrophobicContact CG1-CD1 4.48Å; V510-I512 HydrophobicContact CG1-CG1 4.15Å | ||
| 513 | D | 16.7 | Very low | 20.3 | Very low | 132 Ų | 132 | 142.7 Ų | 142.7 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | trans | -82.8 | 151.9 | 176.8 | -164.5 | 1.9 | 0 | 0 | 0 | 110.4 | ||||
| 514 | L | 22.8 | Very low | 20.2 | Very low | 171 Ų | 171 | 144 Ų | 144 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | trans | -178 | 84.7 | 157.8 | -97.7 | 149.3 | 0 | 0 | 0 | 109.5 | ||||
| 515 | K | 17.9 | Very low | 20.3 | Very low | 194 Ų | 194 | 141 Ų | 141 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -119 | 125.3 | 159.6 | -105.6 | -177.1 | 179.2 | 176.6 | 0 | 109.7 | ||||
| 516 | S | 21.5 | Very low | 20.4 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 166.6 | 167.4 | 148.8 | 54.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 517 | P | 28.4 | Very low | 20.6 | Very low | 103 Ų | 103 | 142 Ų | 142 | 67% | 0.669 | 80% | 0.801 | S | S | * | * | cis | -138 | 163.7 | -41.8 | 33.6 | -15.1 | 0 | 0 | 0 | 115.6 | ||||
| 518 | L | 18.2 | Very low | 20.8 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | 42.9 | 131.1 | 141.6 | -75.8 | 98.9 | 0 | 0 | 0 | 124.7 | ||||
| 519 | S | 19.6 | Very low | 21 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | 164.9 | 106.4 | 118.6 | 51.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 520 | T | 18.7 | Very low | 21.1 | Very low | 132 Ų | 132 | 148.9 Ų | 148.9 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | 51.9 | 112.2 | 107.2 | 62.1 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 521 | S | 21.2 | Very low | 21.1 | Very low | 121 Ų | 121 | 151.8 Ų | 151.8 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | -166.9 | 141.9 | 129.2 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 522 | H | 21.1 | Very low | 21.3 | Very low | 190 Ų | 190 | 147.8 Ų | 147.8 | 88% | 0.88 | 80% | 0.801 | S | S | * | * | trans | -72.9 | 141.6 | 178.9 | -69.8 | -97.9 | 0 | 0 | 0 | 112.7 | ||||
| 523 | V | 21.4 | Very low | 21.3 | Very low | 139 Ų | 139 | 151.1 Ų | 151.1 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | trans | -156.5 | 128.7 | 132.5 | 175.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 524 | N | 18.3 | Very low | 21.6 | Very low | 127 Ų | 127 | 152.5 Ų | 152.5 | 68% | 0.679 | 81% | 0.811 | S | S | * | * | trans | -90.4 | 134.6 | 162.6 | -174.8 | 23.1 | 0 | 0 | 0 | 107.1 | Q526 | N524-Q526 PolarHBondContact OD1-N 3.37Å; N524-Q526 VanDerWaalsContact OD1-N 3.15Å | ||
| 525 | P | 22.7 | Very low | 21.4 | Very low | 110 Ų | 110 | 150.6 Ų | 150.6 | 71% | 0.714 | 81% | 0.807 | S | S | * | * | -146.3 | 126.8 | 92.4 | 30 | -9.2 | 0 | 0 | 0 | 113.8 | Q527 | P525-Q527 PolarHBondContact O-N 2.81Å; P525-Q527 VanDerWaalsContact O-N 3.16Å | |||
| 526 | Q | 22.4 | Very low | 21.6 | Very low | 171 Ų | 171 | 147.3 Ų | 147.3 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | -46.8 | 114.1 | 145.5 | -69.2 | 168.5 | -33.7 | 0 | 0 | 109.3 | N524 | N524-Q526 PolarHBondContact OD1-N 3.37Å; N524-Q526 VanDerWaalsContact OD1-N 3.15Å | ||
| 527 | Q | 22.6 | Very low | 21.4 | Very low | 182 Ų | 182 | 150.7 Ų | 150.7 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | 157 | 73.4 | 149.2 | -87.7 | 174.4 | -4.8 | 0 | 0 | 110.3 | P525 | P525-Q527 PolarHBondContact O-N 2.81Å; P525-Q527 VanDerWaalsContact O-N 3.16Å | ||
| 528 | L | 22.7 | Very low | 21 | Very low | 169 Ų | 169 | 154.9 Ų | 154.9 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -155.2 | 96.2 | 149.3 | -107.8 | 130.9 | 0 | 0 | 0 | 108.3 | D530 | L528-D530 PolarHBondContact O-N 3.23Š|
| 529 | H | 24.7 | Very low | 21.1 | Very low | 197 Ų | 197 | 150.8 Ų | 150.8 | 91% | 0.912 | 81% | 0.805 | S | S | * | * | trans | 1.7 | 99.6 | 172.1 | -74.5 | -74.8 | 0 | 0 | 0 | 117.6 | ||||
| 530 | D | 20.9 | Very low | 21 | Very low | 142 Ų | 142 | 157.2 Ų | 157.2 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | trans | -78.3 | 112.6 | 166 | -96.8 | -36.4 | 0 | 0 | 0 | 111.2 | L528 | L528-D530 PolarHBondContact O-N 3.23Š| ||
| 531 | H | 22.5 | Very low | 21.1 | Very low | 196 Ų | 196 | 162.5 Ų | 162.5 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | trans | -139.6 | 59.3 | 149.5 | -79.6 | -39.6 | 0 | 0 | 0 | 109.6 | ||||
| 532 | S | 21.9 | Very low | 21 | Very low | 91 Ų | 91 | 161.9 Ų | 161.9 | 64% | 0.636 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -153.8 | 127.6 | 154.8 | 79.3 | 0 | 0 | 0 | 0 | 111.8 | ||
| 533 | R | 20.6 | Very low | 20.8 | Very low | 223 Ų | 223 | 158 Ų | 158 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | trans | 82.2 | 87.4 | 164 | -56 | -178 | -176.4 | 179.4 | 2.1 | 117.8 | T535 | R533-T535 VanDerWaalsContact C-N 3.31Å; R533-T535 PolarHBondContact O-N 2.99Å | ||
| 534 | N | 22.7 | Very low | 20.7 | Very low | 161 Ų | 161 | 156.9 Ų | 156.9 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | -66.9 | 92.3 | 147.9 | -81.7 | -14 | 0 | 0 | 0 | 109.8 | I536 | N534-I536 PolarHBondContact O-N 3.39Š| ||
| 535 | T | 20 | Very low | 20.7 | Very low | 132 Ų | 132 | 155.5 Ų | 155.5 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -81.3 | 101.3 | 160.5 | -13 | 0 | 0 | 0 | 0 | 107.3 | R533 | R533-T535 VanDerWaalsContact C-N 3.31Å; R533-T535 PolarHBondContact O-N 2.99Å | ||
| 536 | I | 21.2 | Very low | 20.6 | Very low | 124 Ų | 124 | 157.4 Ų | 157.4 | 64% | 0.636 | 81% | 0.809 | S | S | * | * | trans | -89.9 | 108.5 | 174.2 | -56.1 | 177 | 0 | 0 | 0 | 108.2 | N534 F538 | N534-I536 PolarHBondContact O-N 3.39Å; I536-F538 HydrophobicContact CG2-CD2 3.59Å; I536-F538 HydrophobicContact CG2-CE2 3.25Å; I536-F538 HydrophobicContact CG2-CZ 3.97Å | ||
| 537 | Q | 17.7 | Very low | 20.5 | Very low | 186 Ų | 186 | 155.2 Ų | 155.2 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -65 | 129.7 | 162.7 | -95.2 | 177 | -34.4 | 0 | 0 | 109.7 | ||||
| 538 | F | 20.6 | Very low | 20.3 | Very low | 191 Ų | 191 | 154.6 Ų | 154.6 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | trans | -130.9 | 118.6 | 155.1 | -80.8 | -69 | 0 | 0 | 0 | 109.7 | I536 | I536-F538 HydrophobicContact CG2-CD2 3.59Å; I536-F538 HydrophobicContact CG2-CE2 3.25Å; I536-F538 HydrophobicContact CG2-CZ 3.97Å | ||
| 539 | G | 18.8 | Very low | 20.1 | Very low | 75 Ų | 75 | 151.4 Ų | 151.4 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -77.6 | 153 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 540 | Y | 18 | Very low | 19.9 | Very low | 242 Ų | 242 | 149 Ų | 149 | 95% | 0.949 | 78% | 0.784 | S | S | * | * | trans | -65.5 | 131.1 | 169.4 | -80.5 | -101.6 | 0 | 0 | 0 | 111.5 | ||||
| 541 | R | 20.2 | Very low | 19.9 | Very low | 244 Ų | 244 | 151.3 Ų | 151.3 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -153.7 | 141 | 150.4 | -148.1 | 167.8 | -173.4 | 145.7 | 1.6 | 111.8 | ||||
| 542 | P | 20.6 | Very low | 19.7 | Very low | 108 Ų | 108 | 147.1 Ų | 147.1 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -99.4 | 156.3 | -166 | 25.1 | -8.6 | 0 | 0 | 0 | 114.5 | ||||
| 543 | S | 16.3 | Very low | 19.9 | Very low | 109 Ų | 109 | 149 Ų | 149 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | 45.5 | 116 | 150.5 | 57.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 544 | S | 18.6 | Very low | 20 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | 159.7 | 138.6 | 117.1 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 545 | S | 18.8 | Very low | 20 | Very low | 99 Ų | 99 | 148.7 Ų | 148.7 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | trans | 11.7 | 137.4 | 151.1 | 54.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 546 | L | 19.9 | Very low | 20.2 | Very low | 150 Ų | 150 | 147.5 Ų | 147.5 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | 81.7 | 143.7 | 142.4 | -101.5 | 81.9 | 0 | 0 | 0 | 120.6 | ||||
| 547 | D | 21.1 | Very low | 20.4 | Very low | 124 Ų | 124 | 150.3 Ų | 150.3 | 66% | 0.663 | 80% | 0.795 | S | S | * | * | trans | 95.4 | 100.4 | 153.8 | -59.5 | -22.8 | 0 | 0 | 0 | 121.7 | ||||
| 548 | Q | 18.9 | Very low | 20.7 | Very low | 170 Ų | 170 | 149.3 Ų | 149.3 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | 52.6 | 123.4 | 109.6 | -79.8 | 177.9 | -3.6 | 0 | 0 | 121.2 | |||||
| 549 | C | 18.2 | Very low | 20.9 | Very low | 101 Ų | 101 | 142.9 Ų | 142.9 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | trans | 89.3 | 124.4 | 133.2 | -68.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 550 | N | 19.8 | Very low | 21.1 | Very low | 147 Ų | 147 | 147.3 Ų | 147.3 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | 69.3 | 114.4 | 141.8 | -63.5 | -8.6 | 0 | 0 | 0 | 119.4 | ||||
| 551 | E | 22.1 | Very low | 21.2 | Very low | 190 Ų | 190 | 141.4 Ų | 141.4 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | -173.7 | 147.4 | 91.3 | -100.3 | -178.1 | 170.2 | 0 | 0 | 112.6 | |||||
| 552 | S | 18.9 | Very low | 21.2 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -72.6 | 123.2 | 174.6 | 46.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 553 | V | 24.5 | Very low | 21.3 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -153.4 | 123.8 | 153.2 | 172.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 554 | H | 23.4 | Very low | 21.6 | Very low | 176 Ų | 176 | 141.9 Ų | 141.9 | 82% | 0.815 | 78% | 0.782 | S | S | * | * | trans | 37.5 | 109.9 | 161.3 | -77.9 | -78.9 | 0 | 0 | 0 | 120.6 | P556 | H554-P556 WeakPolarHBondContact O-CD 3.13Š| ||
| 555 | K | 21.6 | Very low | 21.7 | Very low | 201 Ų | 201 | 147.5 Ų | 147.5 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 121.1 | 158.6 | -73.3 | 174 | 174.7 | 174.8 | 0 | 110.1 | ||
| 556 | P | 25 | Very low | 21.9 | Very low | 106 Ų | 106 | 148.5 Ų | 148.5 | 69% | 0.688 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -83 | 125.8 | 150.9 | 11.6 | 6.9 | 0 | 0 | 0 | 108 | H554 N558 | H554-P556 WeakPolarHBondContact O-CD 3.13Å; P556-N558 PolarHBondContact O-N 2.83Å |
| 557 | E | 25 | Very low | 22.1 | Very low | 183 Ų | 183 | 152.3 Ų | 152.3 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | 126.5 | 166.6 | -69.5 | 176.7 | 152.3 | 0 | 0 | 108.5 | ||
| 558 | N | 25 | Very low | 22.2 | Very low | 166 Ų | 166 | 149.2 Ų | 149.2 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.4 | 22.7 | 174.1 | -50.1 | -25.5 | 0 | 0 | 0 | 119.1 | P556 | P556-N558 PolarHBondContact O-N 2.83Š|
| 559 | G | 23.8 | Very low | 22.6 | Very low | 56 Ų | 56 | 148.3 Ų | 148.3 | 58% | 0.577 | 81% | 0.805 | S | S | * | * | trans | -93.5 | 105.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114 | T561 | G559-T561 PolarHBondContact O-N 3.3Š| ||
| 560 | I | 22.5 | Very low | 22.7 | Very low | 167 Ų | 167 | 148.1 Ų | 148.1 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | -62.4 | 114.8 | 174.2 | -61.8 | 166.4 | 0 | 0 | 0 | 109.8 | ||||
| 561 | T | 21.1 | Very low | 22.8 | Very low | 118 Ų | 118 | 152.2 Ų | 152.2 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | trans | -92.6 | 116.3 | 176.2 | 41 | 0 | 0 | 0 | 0 | 111.4 | G559 N563 | G559-T561 PolarHBondContact O-N 3.3Å; T561-N563 PolarHBondContact O-N 3.27Å | ||
| 562 | L | 20.9 | Very low | 22.9 | Very low | 161 Ų | 161 | 147.6 Ų | 147.6 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -76.7 | 98.7 | 175.2 | -79.3 | 150.5 | 0 | 0 | 0 | 109.9 | N564 | L562-N564 PolarHBondContact O-N 3.41Š| ||
| 563 | N | 21.8 | Very low | 23 | Very low | 146 Ų | 146 | 146.9 Ų | 146.9 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | trans | -79.2 | 103.8 | 170.3 | -72.7 | -18.2 | 0 | 0 | 0 | 109.7 | T561 R565 | T561-N563 PolarHBondContact O-N 3.27Å; N563-R565 PolarHBondContact O-N 3.36Å; N563-R565 VanDerWaalsContact O-N 3.07Å | ||
| 564 | N | 22.1 | Very low | 22.8 | Very low | 165 Ų | 165 | 151.3 Ų | 151.3 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | -63.3 | 103.9 | 167 | -81.3 | -17.4 | 0 | 0 | 0 | 109.4 | L562 | L562-N564 PolarHBondContact O-N 3.41Š| ||
| 565 | R | 21.4 | Very low | 22.7 | Very low | 231 Ų | 231 | 153.4 Ų | 153.4 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | -108.7 | 145.8 | 164.6 | -107 | -175.2 | 179.9 | 169 | 0.6 | 110.5 | N563 | N563-R565 PolarHBondContact O-N 3.36Å; N563-R565 VanDerWaalsContact O-N 3.07Å | ||
| 566 | P | 23 | Very low | 22.7 | Very low | 121 Ų | 121 | 152.4 Ų | 152.4 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -71 | 148.8 | -167 | -5.4 | 20.2 | 0 | 0 | 0 | 112.6 | G568 | P566-G568 PolarHBondContact O-N 2.94Š| ||
| 567 | F | 23.6 | Very low | 22.6 | Very low | 229 Ų | 229 | 151.6 Ų | 151.6 | 100% | 1.004 | 79% | 0.79 | S | S | * | * | trans | -50.5 | 94.7 | 179 | -71 | -98.7 | 0 | 0 | 0 | 112.9 | ||||
| 568 | G | 23.3 | Very low | 22.5 | Very low | 60 Ų | 60 | 147.5 Ų | 147.5 | 62% | 0.619 | 78% | 0.781 | S | S | * | * | trans | -110.3 | 132 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | P566 D570 | P566-G568 PolarHBondContact O-N 2.94Å; G568-D570 VanDerWaalsContact C-N 3.26Å; G568-D570 PolarHBondContact O-N 3.45Å | ||
| 569 | T | 27 | Very low | 22.7 | Very low | 150 Ų | 150 | 149.9 Ų | 149.9 | 92% | 0.92 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -69.2 | 66.9 | -173.1 | 48.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 570 | D | 21.7 | Very low | 22.8 | Very low | 98 Ų | 98 | 152.7 Ų | 152.7 | 52% | 0.524 | 79% | 0.79 | S | S | . | * | trans | -141.9 | 92.2 | 173.3 | -162 | -5.6 | 0 | 0 | 0 | 110.9 | G568 S572 | G568-D570 VanDerWaalsContact C-N 3.26Å; G568-D570 PolarHBondContact O-N 3.45Å; D570-S572 PolarHBondContact O-N 2.97Å; D570-S572 WeakPolarHBondContact OD1-CB 3.44Å; D570-S572 PolarHBondContact OD1-N 2.96Å; D570-S572 PolarHBondContact OD1-OG 2.82Å | ||
| 571 | W | 21.5 | Very low | 22.9 | Very low | 233 Ų | 233 | 151.1 Ų | 151.1 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | G | 310 helix | trans | -77.5 | 2.4 | 178.3 | -73.5 | 7.9 | 0 | 0 | 0 | 113.1 | T573 | W571-T573 VanDerWaalsContact C-N 3.35Å; W571-T573 PolarHBondContact O-N 3.34Å |
| 572 | S | 23.4 | Very low | 23.2 | Very low | 92 Ų | 92 | 147.7 Ų | 147.7 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | G | 310 helix | trans | -81.9 | -4 | -176.2 | 72.8 | 0 | 0 | 0 | 0 | 115.1 | D570 | D570-S572 PolarHBondContact O-N 2.97Å; D570-S572 WeakPolarHBondContact OD1-CB 3.44Å; D570-S572 PolarHBondContact OD1-N 2.96Å; D570-S572 PolarHBondContact OD1-OG 2.82Å |
| 573 | T | 21.8 | Very low | 23.4 | Very low | 93 Ų | 93 | 144.2 Ų | 144.2 | 57% | 0.571 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -122.3 | 22.1 | -171.5 | 52.9 | 0 | 0 | 0 | 0 | 116.7 | W571 R575 | W571-T573 VanDerWaalsContact C-N 3.35Å; W571-T573 PolarHBondContact O-N 3.34Å; T573-R575 PolarHBondContact O-N 2.72Å |
| 574 | R | 20.7 | Very low | 23.7 | Very low | 225 Ų | 225 | 143.7 Ų | 143.7 | 85% | 0.849 | 77% | 0.767 | S | S | * | * | trans | -72 | 69.6 | 164.3 | -68.2 | -169.6 | -172.9 | -145.8 | 3.2 | 111.3 | L576 | R574-L576 PolarHBondContact O-N 3.4Š| ||
| 575 | R | 20.8 | Very low | 23.9 | Very low | 220 Ų | 220 | 146 Ų | 146 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | -89.6 | 97.4 | 169 | -116.6 | -177.8 | -82.7 | 178 | -5.2 | 108.3 | T573 A577 | T573-R575 PolarHBondContact O-N 2.72Å; R575-A577 PolarHBondContact O-N 2.93Å; R575-A577 VanDerWaalsContact O-N 3.08Å | ||
| 576 | L | 22.1 | Very low | 24.2 | Very low | 180 Ų | 180 | 141.5 Ų | 141.5 | 94% | 0.942 | 76% | 0.757 | S | S | * | * | trans | -68.5 | 97.5 | 163.8 | -76 | 160.1 | 0 | 0 | 0 | 107.5 | R574 S578 | R574-L576 PolarHBondContact O-N 3.4Å; L576-S578 PolarHBondContact O-N 2.84Å | ||
| 577 | A | 21.7 | Very low | 24.2 | Very low | 90 Ų | 90 | 145.5 Ų | 145.5 | 74% | 0.744 | 76% | 0.756 | S | S | * | * | trans | -91 | 96.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109 | R575 | R575-A577 PolarHBondContact O-N 2.93Å; R575-A577 VanDerWaalsContact O-N 3.08Å | ||
| 578 | S | 24 | Very low | 24.2 | Very low | 96 Ų | 96 | 139.7 Ų | 139.7 | 67% | 0.671 | 74% | 0.735 | S | S | * | * | trans | -67.1 | 135.7 | 163 | 177.2 | 0 | 0 | 0 | 0 | 109.3 | L576 T580 | L576-S578 PolarHBondContact O-N 2.84Å; S578-T580 VanDerWaalsContact C-N 3.34Å; S578-T580 PolarHBondContact OG-OG1 2.77Å | ||
| 579 | K | 28.1 | Very low | 24.1 | Very low | 216 Ų | 216 | 142 Ų | 142 | 94% | 0.939 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -88.1 | 12.4 | -177.9 | -100.6 | -171.3 | 179.3 | -176.1 | 0 | 114.3 | ||
| 580 | T | 25.9 | Very low | 24 | Very low | 116 Ų | 116 | 141 Ų | 141 | 71% | 0.712 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -112.8 | 135.7 | 177.4 | 48.8 | 0 | 0 | 0 | 0 | 112.3 | S578 G582 | S578-T580 VanDerWaalsContact C-N 3.34Å; S578-T580 PolarHBondContact OG-OG1 2.77Å; T580-G582 PolarHBondContact O-N 3.19Å; T580-G582 VanDerWaalsContact O-N 3.11Å |
| 581 | S | 24.9 | Very low | 24 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 94% | 0.937 | 74% | 0.741 | S | S | * | * | trans | -76.7 | 87.7 | 179.1 | 52.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 582 | G | 27.4 | Very low | 24.1 | Very low | 46 Ų | 46 | 135.6 Ų | 135.6 | 47% | 0.474 | 73% | 0.732 | S | S | . | * | trans | -126.4 | 156.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T580 | T580-G582 PolarHBondContact O-N 3.19Å; T580-G582 VanDerWaalsContact O-N 3.11Å | ||
| 583 | S | 26.1 | Very low | 24.1 | Very low | 88 Ų | 88 | 139.4 Ų | 139.4 | 62% | 0.615 | 74% | 0.74 | S | S | * | * | trans | -48.1 | 152.3 | -165.3 | -172.9 | 0 | 0 | 0 | 0 | 117 | R585 D586 | S583-R585 PolarHBondContact O-N 3.14Å; S583-D586 PolarHBondContact O-N 2.87Å | ||
| 584 | I | 26.9 | Very low | 24.2 | Very low | 134 Ų | 134 | 138 Ų | 138 | 69% | 0.687 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -51.8 | -22 | -178.7 | -100 | 159.4 | 0 | 0 | 0 | 114.6 | D586 R587 | I584-D586 PolarHBondContact O-N 2.86Å; I584-R587 PolarHBondContact O-N 2.83Å |
| 585 | R | 27 | Very low | 24.3 | Very low | 214 Ų | 214 | 131.7 Ų | 131.7 | 81% | 0.808 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -64.6 | -25.1 | 175.2 | -87.8 | -177.5 | 170.1 | 158.6 | -3 | 113.6 | S583 R587 | S583-R585 PolarHBondContact O-N 3.14Å; R585-R587 VanDerWaalsContact C-N 3.31Å; R585-R587 PolarHBondContact O-N 3.03Å |
| 586 | D | 26.7 | Very low | 24.4 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -86.3 | -1.1 | 177.9 | -60.2 | -28.2 | 0 | 0 | 0 | 113.2 | S583 I584 | S583-D586 PolarHBondContact O-N 2.87Å; I584-D586 PolarHBondContact O-N 2.86Å |
| 587 | R | 24 | Very low | 24.4 | Very low | 204 Ų | 204 | 126.9 Ų | 126.9 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -96.3 | -4 | 179.5 | -68.5 | -171.7 | 176.5 | -171.7 | -0.5 | 114.3 | I584 R585 | I584-R587 PolarHBondContact O-N 2.83Å; R585-R587 VanDerWaalsContact C-N 3.31Å; R585-R587 PolarHBondContact O-N 3.03Å |
| 588 | L | 22.5 | Very low | 24.4 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 56% | 0.56 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -76.4 | 125.4 | 174.1 | -85.9 | 136.6 | 0 | 0 | 0 | 108.4 | V590 | L588-V590 VanDerWaalsContact C-N 3.31Å; L588-V590 PolarHBondContact O-N 2.78Å |
| 589 | P | 22.6 | Very low | 24.4 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 71% | 0.708 | 73% | 0.727 | S | S | * | * | trans | -59.3 | 104.4 | 167.6 | 25.1 | -30.2 | 0 | 0 | 0 | 106.4 | L591 | P589-L591 PolarHBondContact O-N 3.2Š| ||
| 590 | V | 24.7 | Very low | 24.1 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 78% | 0.782 | 71% | 0.705 | S | S | * | * | trans | -59 | 102.8 | 156.8 | 178.8 | 0 | 0 | 0 | 0 | 103.1 | L588 A592 | L588-V590 VanDerWaalsContact C-N 3.31Å; L588-V590 PolarHBondContact O-N 2.78Å; V590-A592 PolarHBondContact O-N 3.03Å | ||
| 591 | L | 22.5 | Very low | 24.2 | Very low | 133 Ų | 133 | 125.4 Ų | 125.4 | 70% | 0.696 | 71% | 0.706 | S | S | * | * | trans | -53.4 | 104.2 | 157.5 | -72.8 | 163.6 | 0 | 0 | 0 | 103.3 | P589 E593 | P589-L591 PolarHBondContact O-N 3.2Å; L591-E593 HydrophobicContact CB-CG 4.22Å; L591-E593 PolarHBondContact O-N 3.27Å | ||
| 592 | A | 22.6 | Very low | 24.2 | Very low | 84 Ų | 84 | 126 Ų | 126 | 69% | 0.694 | 70% | 0.698 | S | S | * | * | trans | -66.9 | 74.6 | 166 | 0 | 0 | 0 | 0 | 0 | 105.8 | V590 G594 | V590-A592 PolarHBondContact O-N 3.03Å; A592-G594 PolarHBondContact O-N 3.47Å; A592-G594 VanDerWaalsContact O-N 3.12Å | ||
| 593 | E | 23.6 | Very low | 24.1 | Very low | 173 Ų | 173 | 133.6 Ų | 133.6 | 81% | 0.808 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | 107.8 | 160.8 | -70 | -175.2 | 174.8 | 0 | 0 | 105.2 | L591 | L591-E593 HydrophobicContact CB-CG 4.22Å; L591-E593 PolarHBondContact O-N 3.27Å |
| 594 | G | 23.6 | Very low | 24.1 | Very low | 62 Ų | 62 | 139.1 Ų | 139.1 | 64% | 0.639 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.3 | 66 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | A592 N596 | A592-G594 PolarHBondContact O-N 3.47Å; A592-G594 VanDerWaalsContact O-N 3.12Å; G594-N596 VanDerWaalsContact C-N 3.34Å; G594-N596 PolarHBondContact O-N 3.28Å |
| 595 | S | 23 | Very low | 24.1 | Very low | 94 Ų | 94 | 137.5 Ų | 137.5 | 66% | 0.657 | 72% | 0.72 | S | S | * | * | -58.6 | 116.3 | 126.2 | 58.2 | 0 | 0 | 0 | 0 | 104.8 | L597 | S595-L597 PolarHBondContact O-N 3.07Š| |||
| 596 | N | 22.4 | Very low | 24.1 | Very low | 161 Ų | 161 | 134 Ų | 134 | 86% | 0.861 | 72% | 0.717 | S | S | * | * | trans | -52.3 | 79.1 | 169.6 | -81.5 | -37.9 | 0 | 0 | 0 | 109 | G594 D598 | G594-N596 VanDerWaalsContact C-N 3.34Å; G594-N596 PolarHBondContact O-N 3.28Å; N596-D598 PolarHBondContact O-N 3.24Å | ||
| 597 | L | 22.8 | Very low | 24.1 | Very low | 137 Ų | 137 | 138.4 Ų | 138.4 | 72% | 0.717 | 73% | 0.725 | S | S | * | * | trans | -74.3 | 84.1 | 157.4 | -145 | 85.5 | 0 | 0 | 0 | 101.8 | S595 L599 | S595-L597 PolarHBondContact O-N 3.07Å; L597-L599 PolarHBondContact O-N 2.95Å | ||
| 598 | D | 22 | Very low | 24.3 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 75% | 0.749 | 72% | 0.724 | S | S | * | * | trans | -50 | 92 | 164.4 | -157.5 | 10 | 0 | 0 | 0 | 104.8 | N596 N600 | N596-D598 PolarHBondContact O-N 3.24Å; D598-N600 PolarHBondContact O-N 3.2Å | ||
| 599 | L | 23 | Very low | 24.6 | Very low | 139 Ų | 139 | 134.6 Ų | 134.6 | 73% | 0.728 | 73% | 0.725 | S | S | * | * | trans | -71.4 | 67.9 | 173.2 | -81.6 | 164.4 | 0 | 0 | 0 | 104.6 | L597 V601 | L597-L599 PolarHBondContact O-N 2.95Å; L599-V601 WeakPolarHBondContact O-CG2 3.46Å; L599-V601 PolarHBondContact O-N 2.77Å | ||
| 600 | N | 22.6 | Very low | 25.2 | Very low | 87 Ų | 87 | 134.4 Ų | 134.4 | 47% | 0.465 | 72% | 0.724 | S | S | . | * | trans | -70 | 90.4 | 167.9 | -164.6 | -16.1 | 0 | 0 | 0 | 104.6 | D598 N602 R603 | D598-N600 PolarHBondContact O-N 3.2Å; N600-N602 PolarHBondContact O-N 3.49Å; N600-R603 PolarHBondContact O-N 2.81Å | ||
| 601 | V | 26.5 | Very low | 25.7 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 73% | 0.733 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -54 | -10.8 | -178.5 | 177.3 | 0 | 0 | 0 | 0 | 111.8 | L599 R603 | L599-V601 WeakPolarHBondContact O-CG2 3.46Å; L599-V601 PolarHBondContact O-N 2.77Å; V601-R603 VanDerWaalsContact C-N 3.34Å; V601-R603 PolarHBondContact O-N 2.89Å |
| 602 | N | 24.9 | Very low | 26.1 | Very low | 146 Ų | 146 | 132 Ų | 132 | 78% | 0.781 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -85.2 | 7.5 | 174.9 | -61.6 | -22.8 | 0 | 0 | 0 | 114.9 | N600 | N600-N602 PolarHBondContact O-N 3.49Š|
| 603 | R | 26.1 | Very low | 26.5 | Very low | 207 Ų | 207 | 137.5 Ų | 137.5 | 78% | 0.781 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -92.7 | 0 | 179.8 | -151.9 | -178.2 | -103.7 | -170.4 | -2.1 | 115.4 | N600 V601 P605 | N600-R603 PolarHBondContact O-N 2.81Å; V601-R603 VanDerWaalsContact C-N 3.34Å; V601-R603 PolarHBondContact O-N 2.89Å; R603-P605 VanDerWaalsContact O-CD 3.27Å; R603-P605 WeakPolarHBondContact O-CD 3.02Å |
| 604 | Y | 26.3 | Very low | 26.8 | Very low | 204 Ų | 204 | 136.5 Ų | 136.5 | 80% | 0.8 | 71% | 0.706 | S | S | * | * | trans | -113.5 | 89.2 | 175.4 | -68.6 | -78.3 | 0 | 0 | 0 | 110.3 | D606 | Y604-D606 PolarHBondContact O-N 3.13Š| ||
| 605 | P | 26.4 | Very low | 27.1 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 65% | 0.649 | 70% | 0.704 | S | S | * | * | trans | -69.8 | 125.9 | 172.1 | 29.5 | -30.6 | 0 | 0 | 0 | 109.2 | R603 Y607 | R603-P605 VanDerWaalsContact O-CD 3.27Å; R603-P605 WeakPolarHBondContact O-CD 3.02Å; P605-Y607 PolarHBondContact O-N 3.44Å | ||
| 606 | D | 26.9 | Very low | 27.4 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 75% | 0.754 | 70% | 0.703 | S | S | * | * | trans | 21.9 | 89.3 | 153.7 | -66.6 | -31.6 | 0 | 0 | 0 | 117.2 | Y604 T608 | Y604-D606 PolarHBondContact O-N 3.13Å; D606-T608 HydrophobicContact CB-CG2 4.38Å | ||
| 607 | Y | 27.2 | Very low | 27.9 | Very low | 229 Ų | 229 | 143.2 Ų | 143.2 | 90% | 0.898 | 70% | 0.699 | S | S | * | * | trans | -100.2 | 84 | 152.4 | -80 | -80.1 | 0 | 0 | 0 | 108.7 | P605 D609 | P605-Y607 PolarHBondContact O-N 3.44Å; Y607-D609 PolarHBondContact O-N 3.34Å | ||
| 608 | T | 27.8 | Very low | 28.2 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 74% | 0.736 | 70% | 0.703 | S | S | * | * | trans | -79.7 | 83.2 | 173.3 | 50.7 | 0 | 0 | 0 | 0 | 110 | D606 | D606-T608 HydrophobicContact CB-CG2 4.38Š| ||
| 609 | D | 29.8 | Very low | 28.6 | Very low | 110 Ų | 110 | 147.5 Ų | 147.5 | 59% | 0.588 | 71% | 0.707 | S | S | * | * | trans | -152.5 | 113.3 | 152.3 | -143.8 | -28.4 | 0 | 0 | 0 | 112.3 | Y607 I611 | Y607-D609 PolarHBondContact O-N 3.34Å; D609-I611 VanDerWaalsContact C-N 3.27Å; D609-I611 PolarHBondContact O-N 3.02Å | ||
| 610 | P | 35.4 | Very low | 28.8 | Very low | 105 Ų | 105 | 147 Ų | 147 | 68% | 0.682 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -18.1 | -173.5 | -21.1 | 32.3 | 0 | 0 | 0 | 115.6 | R613 | P610-R613 PolarHBondContact O-N 3.1Š|
| 611 | I | 33.5 | Very low | 29.1 | Very low | 124 Ų | 124 | 153 Ų | 153 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -77.2 | -28.8 | -169.1 | -59.3 | 177.3 | 0 | 0 | 0 | 111.6 | D609 R613 M614 | D609-I611 VanDerWaalsContact C-N 3.27Å; D609-I611 PolarHBondContact O-N 3.02Å; I611-R613 VanDerWaalsContact C-N 3.26Å; I611-R613 PolarHBondContact O-N 2.8Å; I611-M614 PolarHBondContact O-N 2.82Å |
| 612 | D | 31.6 | Very low | 29 | Very low | 88 Ų | 88 | 156.6 Ų | 156.6 | 47% | 0.471 | 73% | 0.729 | S | S | . | * | H | α-helix | trans | -78.2 | -11.5 | 179.4 | -150.5 | 24.7 | 0 | 0 | 0 | 113 | R616 | D612-R616 IonicContact OD1-NE 3.91Å; D612-R616 IonicContact OD2-CZ 3.9Å; D612-R616 IonicContact OD2-NE 3.47Å; D612-R616 IonicContact OD2-NH2 2.71Å; D612-R616 PolarHBondContact OD2-NH2 2.71Å |
| 613 | R | 31.2 | Very low | 29 | Very low | 200 Ų | 200 | 154.2 Ų | 154.2 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -69.2 | -41.8 | 171.3 | -95.7 | -174.1 | -177.1 | -174.1 | 1.9 | 112 | P610 I611 F617 | P610-R613 PolarHBondContact O-N 3.1Å; I611-R613 VanDerWaalsContact C-N 3.26Å; I611-R613 PolarHBondContact O-N 2.8Å; R613-F617 VanDerWaalsContact O-CD2 3.23Å; R613-F617 WeakPolarHBondContact O-CD2 3.42Å |
| 614 | M | 30.2 | Very low | 28.9 | Very low | 152 Ų | 152 | 149.2 Ų | 149.2 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -73 | -38.4 | -172.9 | -130.4 | 78.1 | 171.7 | 0 | 0 | 112 | I611 R616 F617 | I611-M614 PolarHBondContact O-N 2.82Å; M614-R616 PolarHBondContact O-N 2.78Å; M614-F617 PolarHBondContact O-N 3.2Å |
| 615 | N | 30.5 | Very low | 28.8 | Very low | 111 Ų | 111 | 147.1 Ų | 147.1 | 59% | 0.594 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -81.9 | -12.2 | -172.3 | -74.6 | -19.9 | 0 | 0 | 0 | 115.1 | ||
| 616 | R | 29.3 | Very low | 28.7 | Very low | 167 Ų | 167 | 149.4 Ų | 149.4 | 63% | 0.63 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -89.6 | -20.4 | 171.1 | -74.2 | -169.4 | -143.5 | 179.7 | 6.5 | 113.9 | D612 M614 D618 | D612-R616 IonicContact OD1-NE 3.91Å; D612-R616 IonicContact OD2-CZ 3.9Å; D612-R616 IonicContact OD2-NE 3.47Å; D612-R616 IonicContact OD2-NH2 2.71Å; D612-R616 PolarHBondContact OD2-NH2 2.71Å; M614-R616 PolarHBondContact O-N 2.78Å; R616-D618 PolarHBondContact O-N 2.91Å |
| 617 | F | 32.2 | Very low | 28.6 | Very low | 180 Ų | 180 | 150.8 Ų | 150.8 | 79% | 0.789 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -70.8 | -19.6 | 175.9 | -88.1 | -71.6 | 0 | 0 | 0 | 113.4 | R613 M614 | R613-F617 VanDerWaalsContact O-CD2 3.23Å; R613-F617 WeakPolarHBondContact O-CD2 3.42Å; M614-F617 PolarHBondContact O-N 3.2Å |
| 618 | D | 29.7 | Very low | 28.5 | Very low | 148 Ų | 148 | 147.1 Ų | 147.1 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -9 | -178.8 | -99.4 | -17.7 | 0 | 0 | 0 | 115.3 | R616 | R616-D618 PolarHBondContact O-N 2.91Š|
| 619 | R | 30.3 | Very low | 28.3 | Very low | 219 Ų | 219 | 147.5 Ų | 147.5 | 83% | 0.826 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.1 | -26.5 | -174.7 | -70 | -135.6 | -162 | -170.3 | 7.1 | 116.8 | ||
| 620 | D | 26.7 | Very low | 28 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 68% | 0.684 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -125.5 | 92 | -176.5 | -65.9 | -39.4 | 0 | 0 | 0 | 109.7 | ||
| 621 | R | 27.9 | Very low | 27.5 | Very low | 214 Ų | 214 | 145.2 Ų | 145.2 | 81% | 0.808 | 72% | 0.719 | S | S | * | * | trans | 175.4 | 66.7 | 144.1 | -91.9 | 178 | -176.8 | -145.5 | -0.1 | 110.8 | I623 | R621-I623 HydrophobicContact CB-CD1 4.46Å; R621-I623 HydrophobicContact CB-CG1 3.94Å; R621-I623 HydrophobicContact CG-CD1 3.77Å; R621-I623 HydrophobicContact CG-CG1 3.5Å; R621-I623 PolarHBondContact O-N 3.14Å | ||
| 622 | E | 24.6 | Very low | 27.1 | Very low | 195 Ų | 195 | 142.3 Ų | 142.3 | 91% | 0.911 | 71% | 0.71 | S | S | * | * | trans | -72.9 | 81.7 | 131 | -76.7 | -175.1 | 170.9 | 0 | 0 | 105.8 | P624 | E622-P624 WeakPolarHBondContact O-CD 3.45Š| ||
| 623 | I | 25.5 | Very low | 26.9 | Very low | 97 Ų | 97 | 142.6 Ų | 142.6 | 50% | 0.497 | 72% | 0.719 | S | S | . | * | trans | -70.9 | 114 | 160 | -59 | -179.2 | 0 | 0 | 0 | 104 | R621 L625 | R621-I623 HydrophobicContact CB-CD1 4.46Å; R621-I623 HydrophobicContact CB-CG1 3.94Å; R621-I623 HydrophobicContact CG-CD1 3.77Å; R621-I623 HydrophobicContact CG-CG1 3.5Å; R621-I623 PolarHBondContact O-N 3.14Å; I623-L625 PolarHBondContact O-N 2.82Å | ||
| 624 | P | 23.2 | Very low | 26.6 | Very low | 102 Ų | 102 | 141.8 Ų | 141.8 | 66% | 0.662 | 72% | 0.722 | S | S | * | * | trans | -60.8 | 110.9 | 167.7 | 25.3 | -30.2 | 0 | 0 | 0 | 106.7 | E622 N626 | E622-P624 WeakPolarHBondContact O-CD 3.45Å; P624-N626 PolarHBondContact O-N 3.16Å | ||
| 625 | L | 24.1 | Very low | 26.4 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 84% | 0.838 | 73% | 0.725 | S | S | * | * | trans | -63.5 | 66.9 | 166.8 | -87.4 | 142.6 | 0 | 0 | 0 | 109 | I623 | I623-L625 PolarHBondContact O-N 2.82Š| ||
| 626 | N | 24.6 | Very low | 26.2 | Very low | 147 Ų | 147 | 144.3 Ų | 144.3 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | trans | -125.1 | 57.3 | 168.9 | -79.7 | -8.7 | 0 | 0 | 0 | 107.9 | P624 | P624-N626 PolarHBondContact O-N 3.16Š| ||
| 627 | M | 25.9 | Very low | 25.9 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 84% | 0.837 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -162.6 | 137.2 | 157.5 | -105.5 | 169.4 | 179.9 | 0 | 0 | 105.7 | ||
| 628 | I | 24.6 | Very low | 25.4 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | trans | 89 | 60.7 | -167.5 | -42.5 | 158 | 0 | 0 | 0 | 112.8 | S630 | I628-S630 VanDerWaalsContact C-N 3.32Š| ||
| 629 | S | 22.7 | Very low | 25.5 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 90% | 0.895 | 76% | 0.755 | S | S | * | * | trans | -94.2 | 69.5 | 143.1 | 67.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 630 | S | 24.8 | Very low | 25.2 | Very low | 49 Ų | 49 | 139.1 Ų | 139.1 | 34% | 0.343 | 75% | 0.751 | S | S | . | * | S | Bend | trans | -141.2 | 116.2 | 151.3 | 52 | 0 | 0 | 0 | 0 | 106 | I628 S632 | I628-S630 VanDerWaalsContact C-N 3.32Å; S630-S632 VanDerWaalsContact C-N 3.33Å; S630-S632 PolarHBondContact O-N 2.86Å |
| 631 | S | 24.1 | Very low | 25.1 | Very low | 118 Ų | 118 | 139.7 Ų | 139.7 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | trans | -59.8 | 90.7 | 177.3 | 43.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 632 | S | 26.1 | Very low | 25 | Very low | 64 Ų | 64 | 135.6 Ų | 135.6 | 45% | 0.448 | 75% | 0.752 | S | S | . | * | trans | -136.2 | 105.1 | 160 | 61.5 | 0 | 0 | 0 | 0 | 108.2 | S630 F634 | S630-S632 VanDerWaalsContact C-N 3.33Å; S630-S632 PolarHBondContact O-N 2.86Å; S632-F634 PolarHBondContact O-N 2.88Å | ||
| 633 | S | 25.7 | Very low | 25 | Very low | 94 Ų | 94 | 132.1 Ų | 132.1 | 66% | 0.657 | 74% | 0.743 | S | S | * | * | trans | -11.8 | 111.5 | 165.7 | 46.7 | 0 | 0 | 0 | 0 | 115.6 | M635 | S633-M635 PolarHBondContact O-N 3.17Š| ||
| 634 | F | 26.4 | Very low | 25 | Very low | 183 Ų | 183 | 134.3 Ų | 134.3 | 80% | 0.803 | 76% | 0.758 | S | S | * | * | trans | -65.1 | 92 | 164.3 | -165.6 | -95.4 | 0 | 0 | 0 | 108.6 | S632 Q636 | S632-F634 PolarHBondContact O-N 2.88Å; F634-Q636 HydrophobicContact CD1-CB 4.14Å; F634-Q636 HydrophobicContact CE1-CB 4.14Å; F634-Q636 HydrophobicContact CE1-CG 4.15Å; F634-Q636 PolarHBondContact O-N 2.98Å; F634-Q636 VanDerWaalsContact O-N 3.11Å | ||
| 635 | M | 25.1 | Very low | 25.1 | Very low | 168 Ų | 168 | 136.4 Ų | 136.4 | 83% | 0.828 | 76% | 0.764 | S | S | * | * | trans | -73.3 | 97.1 | 164.8 | -88 | -78.9 | 172.5 | 0 | 0 | 107.5 | S633 T637 | S633-M635 PolarHBondContact O-N 3.17Å; M635-T637 VanDerWaalsContact C-N 3.34Å; M635-T637 PolarHBondContact O-N 3.06Å | ||
| 636 | Q | 25.7 | Very low | 25.2 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | trans | -67.5 | 93.8 | 168.9 | -160.4 | 170.6 | 20.5 | 0 | 0 | 107.6 | F634 N638 | F634-Q636 HydrophobicContact CD1-CB 4.14Å; F634-Q636 HydrophobicContact CE1-CB 4.14Å; F634-Q636 HydrophobicContact CE1-CG 4.15Å; F634-Q636 PolarHBondContact O-N 2.98Å; F634-Q636 VanDerWaalsContact O-N 3.11Å; Q636-N638 PolarHBondContact O-N 3.38Å; Q636-N638 VanDerWaalsContact O-N 3.1Å | ||
| 637 | T | 24 | Very low | 25.2 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 71% | 0.712 | 76% | 0.757 | S | S | * | * | trans | -72.3 | 101.8 | 168.3 | 52 | 0 | 0 | 0 | 0 | 107.6 | M635 T639 | M635-T637 VanDerWaalsContact C-N 3.34Å; M635-T637 PolarHBondContact O-N 3.06Å; T637-T639 PolarHBondContact O-N 3.49Å | ||
| 638 | N | 22.4 | Very low | 25.2 | Very low | 151 Ų | 151 | 130.8 Ų | 130.8 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | trans | -63.7 | 100.9 | 163.1 | -79.2 | -20.2 | 0 | 0 | 0 | 108.3 | Q636 | Q636-N638 PolarHBondContact O-N 3.38Å; Q636-N638 VanDerWaalsContact O-N 3.1Å | ||
| 639 | T | 30.3 | Very low | 25.2 | Very low | 199 Ų | 199 | 128.8 Ų | 128.8 | 100% | 1.221 | 75% | 0.748 | S | S | * | * | trans | -129.3 | 0 | 156.9 | 48.8 | 0 | 0 | 0 | 0 | 108.6 | T637 | T637-T639 PolarHBondContact O-N 3.49Š|
Retrieved 639 of 639 residues in 278.9 ms
(Link to these results)