| 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 | 51.2 | Low | 57.7 | Low | 135 Ų | 135 | 117.5 Ų | 117.5 | 67% | 0.665 | 58% | 0.583 | S | S | * | * | 0 | 77.4 | 0 | -67.2 | -49.3 | -68.2 | 0 | 0 | 108.9 | E5 | M1-E5 WeakPolarHBondContact CA-OE2 3.37Å; M1-E5 HydrophobicContact CE-CB 3.76Å; M1-E5 PolarHBondContact N-OE2 3.2Å; M1-E5 HydrophobicContact SD-CB 4.06Å | |||
| 2 | T | 70.5 | Confident | 56.8 | Low | 80 Ų | 80 | 117.1 Ų | 117.1 | 49% | 0.491 | 59% | 0.592 | S | S | . | * | trans | -66.7 | 159.5 | 168.8 | 63.8 | 0 | 0 | 0 | 0 | 109.3 | L4 E5 Y6 | T2-L4 PolarHBondContact O-N 2.73Å; T2-E5 PolarHBondContact N-OE2 3.36Å; T2-E5 PolarHBondContact O-N 2.83Å; T2-E5 WeakPolarHBondContact OG1-CG 3.36Å; T2-E5 PolarHBondContact OG1-N 3.5Å; T2-E5 VanDerWaalsContact OG1-N 3.15Å; T2-Y6 PolarHBondContact O-N 2.98Å | ||
| 3 | V | 67.3 | Low | 55.8 | Low | 115 Ų | 115 | 118.6 Ų | 118.6 | 70% | 0.697 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -54 | -34.9 | 173.1 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | Y6 L7 | V3-Y6 PolarHBondContact O-N 3.33Å; V3-L7 HydrophobicContact CG1-CD1 3.97Å; V3-L7 HydrophobicContact CG1-CG 4.42Å; V3-L7 VanDerWaalsContact O-CG 3.26Å; V3-L7 WeakPolarHBondContact O-CG 3.4Å; V3-L7 PolarHBondContact O-N 3.11Å |
| 4 | L | 60.4 | Low | 55.2 | Low | 117 Ų | 117 | 118.1 Ų | 118.1 | 61% | 0.613 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.5 | -44.9 | 175.3 | -136.2 | 81.5 | 0 | 0 | 0 | 112.3 | T2 Y6 L7 M8 | T2-L4 PolarHBondContact O-N 2.73Å; L4-Y6 VanDerWaalsContact C-N 3.31Å; L4-Y6 PolarHBondContact O-N 3.29Å; L4-L7 PolarHBondContact O-N 2.91Å; L4-M8 WeakPolarHBondContact O-CB 3.34Å; L4-M8 VanDerWaalsContact O-CG 3.29Å; L4-M8 WeakPolarHBondContact O-CG 2.85Å; L4-M8 PolarHBondContact O-N 2.9Å |
| 5 | E | 58.9 | Low | 54.3 | Low | 87 Ų | 87 | 115.5 Ų | 115.5 | 41% | 0.407 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66 | -31.5 | 176.6 | -71.3 | 169.7 | 157.3 | 0 | 0 | 112.5 | M1 T2 R9 | M1-E5 WeakPolarHBondContact CA-OE2 3.37Å; M1-E5 HydrophobicContact CE-CB 3.76Å; M1-E5 PolarHBondContact N-OE2 3.2Å; M1-E5 HydrophobicContact SD-CB 4.06Å; T2-E5 PolarHBondContact N-OE2 3.36Å; T2-E5 PolarHBondContact O-N 2.83Å; T2-E5 WeakPolarHBondContact OG1-CG 3.36Å; T2-E5 PolarHBondContact OG1-N 3.5Å; T2-E5 VanDerWaalsContact OG1-N 3.15Å; E5-R9 WeakPolarHBondContact O-CB 3.29Å; E5-R9 WeakPolarHBondContact O-CG 3.33Å; E5-R9 PolarHBondContact O-N 3.49Å; E5-R9 VanDerWaalsContact O-N 3.11Å |
| 6 | Y | 58.7 | Low | 53.6 | Low | 131 Ų | 131 | 115.6 Ų | 115.6 | 51% | 0.514 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -71.4 | -41 | 174 | -179.8 | -97.7 | 0 | 0 | 0 | 112.2 | T2 V3 L4 N10 | T2-Y6 PolarHBondContact O-N 2.98Å; V3-Y6 PolarHBondContact O-N 3.33Å; L4-Y6 VanDerWaalsContact C-N 3.31Å; L4-Y6 PolarHBondContact O-N 3.29Å; Y6-N10 VanDerWaalsContact CE1-ND2 3.33Å; Y6-N10 WeakPolarHBondContact CE1-ND2 3.26Å; Y6-N10 VanDerWaalsContact CZ-ND2 3.35Å; Y6-N10 PolarHBondContact O-N 3.3Å; Y6-N10 PolarHBondContact O-ND2 3.39Å |
| 7 | L | 55.1 | Low | 52.9 | Low | 100 Ų | 100 | 117.5 Ų | 117.5 | 52% | 0.524 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66.7 | -43 | 175.9 | -68.9 | 169.8 | 0 | 0 | 0 | 111.3 | V3 L4 R9 N10 D11 | V3-L7 HydrophobicContact CG1-CD1 3.97Å; V3-L7 HydrophobicContact CG1-CG 4.42Å; V3-L7 VanDerWaalsContact O-CG 3.26Å; V3-L7 WeakPolarHBondContact O-CG 3.4Å; V3-L7 PolarHBondContact O-N 3.11Å; L4-L7 PolarHBondContact O-N 2.91Å; L7-R9 PolarHBondContact O-N 2.83Å; L7-N10 PolarHBondContact O-N 3.38Å; L7-D11 PolarHBondContact O-N 2.98Å |
| 8 | M | 57.8 | Low | 52.8 | Low | 130 Ų | 130 | 115.5 Ų | 115.5 | 64% | 0.64 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.4 | -31.7 | 178.8 | -72.2 | -174.8 | 138.9 | 0 | 0 | 114 | L4 T12 | L4-M8 WeakPolarHBondContact O-CB 3.34Å; L4-M8 VanDerWaalsContact O-CG 3.29Å; L4-M8 WeakPolarHBondContact O-CG 2.85Å; L4-M8 PolarHBondContact O-N 2.9Å; M8-T12 PolarHBondContact O-OG1 3.32Å |
| 9 | R | 54.2 | Low | 53.1 | Low | 163 Ų | 163 | 114.5 Ų | 114.5 | 62% | 0.615 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -74.3 | -24.3 | 174.5 | -80.7 | -172.1 | -176.5 | 177.9 | -1 | 113.5 | E5 L7 T12 | E5-R9 WeakPolarHBondContact O-CB 3.29Å; E5-R9 WeakPolarHBondContact O-CG 3.33Å; E5-R9 PolarHBondContact O-N 3.49Å; E5-R9 VanDerWaalsContact O-N 3.11Å; L7-R9 PolarHBondContact O-N 2.83Å; R9-T12 PolarHBondContact O-OG1 3.34Å |
| 10 | N | 49.9 | Very low | 53.9 | Low | 87 Ų | 87 | 116.1 Ų | 116.1 | 47% | 0.465 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -83.2 | -19.8 | 177.4 | -80 | -26.5 | 0 | 0 | 0 | 113.3 | Y6 L7 T12 | Y6-N10 VanDerWaalsContact CE1-ND2 3.33Å; Y6-N10 WeakPolarHBondContact CE1-ND2 3.26Å; Y6-N10 VanDerWaalsContact CZ-ND2 3.35Å; Y6-N10 PolarHBondContact O-N 3.3Å; Y6-N10 PolarHBondContact O-ND2 3.39Å; L7-N10 PolarHBondContact O-N 3.38Å; N10-T12 VanDerWaalsContact C-N 3.31Å |
| 11 | D | 51.1 | Low | 55.4 | Low | 147 Ų | 147 | 118.8 Ų | 118.8 | 79% | 0.786 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -17.5 | 171.2 | -89.6 | -21.4 | 0 | 0 | 0 | 113.4 | L7 | L7-D11 PolarHBondContact O-N 2.98Š|
| 12 | T | 47.1 | Very low | 57.1 | Low | 113 Ų | 113 | 121.5 Ų | 121.5 | 69% | 0.693 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | 5.8 | -172.3 | 26.3 | 0 | 0 | 0 | 0 | 115.1 | M8 R9 N10 | M8-T12 PolarHBondContact O-OG1 3.32Å; R9-T12 PolarHBondContact O-OG1 3.34Å; N10-T12 VanDerWaalsContact C-N 3.31Å |
| 13 | L | 43.5 | Very low | 58.1 | Low | 137 Ų | 137 | 122.3 Ų | 122.3 | 72% | 0.717 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -126.3 | 33.3 | -173.6 | -133.5 | 104.2 | 0 | 0 | 0 | 115.6 | ||
| 14 | M | 47.3 | Very low | 59.3 | Low | 111 Ų | 111 | 118.5 Ų | 118.5 | 55% | 0.547 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -134.5 | 99.4 | -179.5 | -71.8 | -65.3 | 144.9 | 0 | 0 | 112.8 | R20 | M14-R20 PolarHBondContact SD-NH1 3.02Š|
| 15 | S | 42 | Very low | 60.9 | Low | 80 Ų | 80 | 115 Ų | 115 | 56% | 0.559 | 59% | 0.591 | S | S | * | * | trans | 41.4 | 113.9 | 144.8 | 63.7 | 0 | 0 | 0 | 0 | 118.2 | R20 | S15-R20 PolarHBondContact OG-NH1 3.05Š| ||
| 16 | T | 42.8 | Very low | 62.7 | Low | 117 Ų | 117 | 112.7 Ų | 112.7 | 72% | 0.718 | 58% | 0.579 | S | S | * | * | trans | 18 | 122 | 157.8 | 51.9 | 0 | 0 | 0 | 0 | 117.7 | A18 | T16-A18 PolarHBondContact O-N 3.43Š| ||
| 17 | P | 42.3 | Very low | 64.6 | Low | 148 Ų | 148 | 108.1 Ų | 108.1 | 96% | 0.961 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -65.5 | 17.3 | -171.2 | -17.8 | 30.5 | 0 | 0 | 0 | 118.2 | ||
| 18 | A | 50.1 | Low | 66.6 | Low | 81 Ų | 81 | 103.5 Ų | 103.5 | 67% | 0.669 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -101 | 95.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T16 | T16-A18 PolarHBondContact O-N 3.43Š|
| 19 | S | 58.6 | Low | 68.5 | Low | 96 Ų | 96 | 99 Ų | 99 | 67% | 0.671 | 52% | 0.524 | S | S | * | . | trans | 73.1 | 49.4 | 157.2 | 81.1 | 0 | 0 | 0 | 0 | 120.4 | K21 | S19-K21 VanDerWaalsContact C-N 3.32Å; S19-K21 PolarHBondContact O-N 3.15Å | ||
| 20 | R | 69.5 | Low | 70.5 | Confident | 147 Ų | 147 | 94.1 Ų | 94.1 | 56% | 0.555 | 51% | 0.51 | S | S | * | . | trans | -66.4 | 98.5 | 160.1 | -154.4 | 179.3 | -171.9 | 118.2 | -6.7 | 108.6 | M14 S15 | M14-R20 PolarHBondContact SD-NH1 3.02Å; S15-R20 PolarHBondContact OG-NH1 3.05Å | ||
| 21 | K | 84.3 | Confident | 72.8 | Confident | 172 Ų | 172 | 90.4 Ų | 90.4 | 75% | 0.748 | 49% | 0.491 | S | S | * | . | trans | -63.3 | 138.1 | -177.9 | -67.8 | -176.9 | -179.2 | 178.1 | 0 | 109.5 | S19 I23 | S19-K21 VanDerWaalsContact C-N 3.32Å; S19-K21 PolarHBondContact O-N 3.15Å; K21-I23 PolarHBondContact O-N 3.17Å | ||
| 22 | R | 87.3 | Confident | 75 | Confident | 193 Ų | 193 | 83.7 Ų | 83.7 | 73% | 0.728 | 46% | 0.456 | S | S | * | . | trans | -64.4 | 126.3 | 167.8 | -67 | -173.8 | -67.7 | 168.2 | -2.1 | 108.6 | ||||
| 23 | I | 91.4 | Very high | 77.4 | Confident | 97 Ų | 97 | 83.2 Ų | 83.2 | 50% | 0.497 | 45% | 0.449 | S | S | . | . | trans | -107.2 | 125.8 | 178.2 | -60 | 175 | 0 | 0 | 0 | 108 | K21 M63 M64 | K21-I23 PolarHBondContact O-N 3.17Å; I23-M63 HydrophobicContact CB-CB 3.87Å; I23-M63 HydrophobicContact CG2-CB 3.84Å; I23-M63 HydrophobicContact CG2-SD 4.33Å; I23-M63 WeakPolarHBondContact O-CA 3.25Å; I23-M63 WeakPolarHBondContact O-CB 3.45Å; I23-M64 PolarHBondContact O-N 2.87Å | ||
| 24 | C | 92.8 | Very high | 80.1 | Confident | 34 Ų | 34 | 78.1 Ų | 78.1 | 23% | 0.23 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 134.7 | 167.4 | -55.1 | 0 | 0 | 0 | 0 | 108.7 | Y26 M64 Y66 | C24-Y26 HydrophobicContact CB-CE2 3.85Å; C24-M64 CarbonylContact C-O 3.58Å; C24-M64 WeakPolarHBondContact CA-O 3.41Å; C24-M64 WeakPolarHBondContact SG-CE 3.05Å; C24-Y66 HydrophobicContact CB-CD2 4.25Å; C24-Y66 HydrophobicContact CB-CE2 4.13Å |
| 25 | Y | 95.1 | Very high | 82.5 | Confident | 43 Ų | 43 | 79 Ų | 79 | 17% | 0.169 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 126.5 | 177.9 | 170.4 | -97.4 | 0 | 0 | 0 | 109.4 | Y27 H51 I54 M63 M64 V65 Y66 | Y25-Y27 HydrophobicContact CE1-CG 4.39Å; Y25-H51 AromaticContact CE1-CE1 3.86Å; Y25-H51 AromaticContact CE1-ND1 3.35Å; Y25-H51 WeakPolarHBondContact CE1-ND1 3.43Å; Y25-H51 AromaticContact CZ-ND1 3.63Å; Y25-H51 PolarHBondContact OH-ND1 2.88Å; Y25-I54 HydrophobicContact CD2-CD1 4.17Å; Y25-I54 HydrophobicContact CE1-CD1 4.49Å; Y25-I54 HydrophobicContact CE2-CD1 3.51Å; Y25-M63 WeakPolarHBondContact CB-SD 3.36Å; Y25-M63 HydrophobicContact CD1-CE 4.02Å; Y25-M63 HydrophobicContact CD2-CE 4.43Å; Y25-M63 HydrophobicContact CG-CE 3.87Å; Y25-M63 HydrophobicContact CG-SD 3.99Å; Y25-M64 PolarHBondContact N-O 3.36Å; Y25-V65 HydrophobicContact CD1-CB 4.47Å; Y25-V65 HydrophobicContact CD1-CG1 3.99Å; Y25-V65 HydrophobicContact CD1-CG2 4.08Å; Y25-V65 HydrophobicContact CE1-CG1 4.45Å; Y25-V65 CarbonylContact O-C 3.58Å; Y25-V65 WeakPolarHBondContact O-CA 3.46Å; Y25-Y66 PolarHBondContact O-N 2.95Å |
| 26 | Y | 96.2 | Very high | 85.1 | Confident | 40 Ų | 40 | 77.3 Ų | 77.3 | 16% | 0.157 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 129 | -176.4 | -66.4 | -93.4 | 0 | 0 | 0 | 110.1 | C24 Y66 P68 D131 | C24-Y26 HydrophobicContact CB-CE2 3.85Å; Y26-Y66 WeakPolarHBondContact CA-O 3.49Å; Y26-Y66 HydrophobicContact CE1-CD2 4.29Å; Y26-Y66 HydrophobicContact CE1-CG 4.25Å; Y26-P68 HydrophobicContact CD1-CB 4.12Å; Y26-D131 HydrophobicContact CD1-CB 4.45Å; Y26-D131 HydrophobicContact CE1-CB 3.82Å; Y26-D131 WeakPolarHBondContact CE1-OD2 3.47Å |
| 27 | Y | 97.4 | Very high | 87.6 | Confident | 35 Ų | 35 | 72.8 Ų | 72.8 | 14% | 0.137 | 38% | 0.377 | C | S | . | . | trans | -148.8 | 129.6 | 177.6 | 175.6 | -103.8 | 0 | 0 | 0 | 111.1 | Y25 V31 I47 H51 Y66 R67 P68 | Y25-Y27 HydrophobicContact CE1-CG 4.39Å; Y27-V31 HydrophobicContact CD2-CG1 4.33Å; Y27-V31 HydrophobicContact CE2-CG1 3.94Å; Y27-I47 HydrophobicContact CD2-CG2 4.22Å; Y27-I47 HydrophobicContact CE2-CG2 4.26Å; Y27-H51 HydrophobicContact CD1-CB 4.5Å; Y27-H51 AromaticContact CD1-CD2 3.65Å; Y27-H51 AromaticContact CD1-CE1 3.35Å; Y27-H51 WeakPolarHBondContact CD1-CE1 3.4Å; Y27-H51 AromaticContact CD1-CG 3.63Å; Y27-H51 AromaticContact CD1-ND1 3.46Å; Y27-H51 WeakPolarHBondContact CD1-ND1 3.4Å; Y27-H51 AromaticContact CD1-NE2 3.47Å; Y27-H51 WeakPolarHBondContact CD1-NE2 3.46Å; Y27-H51 HydrophobicContact CD2-CB 3.8Å; Y27-H51 AromaticContact CD2-CG 3.77Å; Y27-H51 AromaticContact CD2-ND1 3.81Å; Y27-H51 HydrophobicContact CE1-CB 4.28Å; Y27-H51 AromaticContact CE1-CD2 3.3Å; Y27-H51 WeakPolarHBondContact CE1-CD2 3.42Å; Y27-H51 AromaticContact CE1-CE1 3.84Å; Y27-H51 AromaticContact CE1-CG 3.57Å; Y27-H51 AromaticContact CE1-ND1 3.9Å; Y27-H51 AromaticContact CE1-NE2 3.49Å; Y27-H51 WeakPolarHBondContact CE1-NE2 3.49Å; Y27-H51 HydrophobicContact CE2-CB 3.55Å; Y27-H51 AromaticContact CE2-CG 3.72Å; Y27-H51 HydrophobicContact CG-CB 4.26Å; Y27-H51 AromaticContact CG-CE1 3.73Å; Y27-H51 AromaticContact CG-CG 3.72Å; Y27-H51 AromaticContact CG-ND1 3.39Å; Y27-H51 AromaticContact CZ-CD2 3.62Å; Y27-H51 AromaticContact CZ-CG 3.62Å; Y27-Y66 PolarHBondContact N-O 3.03Å; Y27-R67 WeakPolarHBondContact O-CA 3.47Å; Y27-P68 WeakPolarHBondContact O-CD 3.47Å | ||
| 28 | D | 97.3 | Very high | 90.2 | Very high | 3 Ų | 3 | 74.5 Ų | 74.5 | 2% | 0.016 | 37% | 0.372 | C | S | . | . | trans | -106.6 | 130.3 | 168.2 | -166.2 | -59.6 | 0 | 0 | 0 | 109 | D30 V31 R67 P68 I124 | D28-D30 PolarHBondContact O-N 3.06Å; D28-D30 WeakPolarHBondContact OD1-CB 3.39Å; D28-D30 PolarHBondContact OD1-N 3.25Å; D28-V31 WeakPolarHBondContact O-CG1 3.46Å; D28-V31 PolarHBondContact O-N 3.13Å; D28-R67 IonicContact OD1-CZ 3.96Å; D28-R67 IonicContact OD1-NE 3.86Å; D28-R67 IonicContact OD1-NH2 3.23Å; D28-R67 PolarHBondContact OD1-NH2 3.08Å; D28-R67 VanDerWaalsContact OD1-NH2 3.13Å; D28-R67 IonicContact OD2-CZ 3.13Å; D28-R67 IonicContact OD2-NE 2.78Å; D28-R67 PolarHBondContact OD2-NE 2.88Å; D28-R67 IonicContact OD2-NH2 2.69Å; D28-R67 PolarHBondContact OD2-NH2 3.23Å; D28-P68 HydrophobicContact CB-CG 4.09Å; D28-I124 HydrophobicContact CB-CD1 4.34Å; D28-I124 HydrophobicContact CB-CG1 4.4Å; D28-I124 HydrophobicContact CB-CG2 3.65Å | ||
| 29 | G | 97.4 | Very high | 92.4 | Very high | 35 Ų | 35 | 74.2 Ų | 74.2 | 36% | 0.361 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -60.1 | -25.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | R48 | G29-R48 PolarHBondContact O-NH2 2.88Š|
| 30 | D | 97.7 | Very high | 94.2 | Very high | 61 Ų | 61 | 71.2 Ų | 71.2 | 33% | 0.326 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -79.2 | -22.9 | -177 | -62 | -34.4 | 0 | 0 | 0 | 112.4 | D28 G32 N33 Y34 R67 I124 | D28-D30 PolarHBondContact O-N 3.06Å; D28-D30 WeakPolarHBondContact OD1-CB 3.39Å; D28-D30 PolarHBondContact OD1-N 3.25Å; D30-G32 PolarHBondContact O-N 3.44Å; D30-N33 WeakPolarHBondContact O-CB 3.36Å; D30-N33 PolarHBondContact O-N 3.29Å; D30-Y34 HydrophobicContact CB-CE2 4.31Å; D30-Y34 WeakPolarHBondContact O-CD2 3.47Å; D30-Y34 WeakPolarHBondContact O-CE2 3.38Å; D30-R67 IonicContact OD2-NH2 3.88Å; D30-R67 PolarHBondContact OD2-NH2 2.85Å; D30-I124 HydrophobicContact CB-CD1 4.3Å |
| 31 | V | 97.8 | Very high | 95.6 | Very high | 9 Ų | 9 | 69.8 Ų | 69.8 | 6% | 0.055 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -56.5 | -30.2 | -173 | 78.8 | 0 | 0 | 0 | 0 | 113.2 | Y27 D28 N33 P44 I47 F121 I124 | Y27-V31 HydrophobicContact CD2-CG1 4.33Å; Y27-V31 HydrophobicContact CE2-CG1 3.94Å; D28-V31 WeakPolarHBondContact O-CG1 3.46Å; D28-V31 PolarHBondContact O-N 3.13Å; V31-N33 VanDerWaalsContact C-N 3.33Å; V31-P44 WeakPolarHBondContact O-CB 3.47Å; V31-I47 HydrophobicContact CG1-CB 3.99Å; V31-I47 HydrophobicContact CG1-CD1 4.44Å; V31-I47 HydrophobicContact CG1-CG2 3.6Å; V31-I47 HydrophobicContact CG2-CD1 3.81Å; V31-F121 HydrophobicContact CG2-CD2 4.29Å; V31-F121 HydrophobicContact CG2-CE2 3.98Å; V31-I124 HydrophobicContact CB-CG2 4.16Å; V31-I124 HydrophobicContact CG2-CG2 4.06Å |
| 32 | G | 97.5 | Very high | 96.2 | Very high | 6 Ų | 6 | 64.9 Ų | 64.9 | 6% | 0.062 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -81.4 | -5.5 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | D30 | D30-G32 PolarHBondContact O-N 3.44Š|
| 33 | N | 98.1 | Very high | 96.7 | Very high | 102 Ų | 102 | 59.5 Ų | 59.5 | 55% | 0.545 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -19 | -179.5 | -67.1 | -33 | 0 | 0 | 0 | 113.2 | D30 V31 R48 | D30-N33 WeakPolarHBondContact O-CB 3.36Å; D30-N33 PolarHBondContact O-N 3.29Å; V31-N33 VanDerWaalsContact C-N 3.33Å; N33-R48 PolarHBondContact ND2-NH2 2.94Å; N33-R48 VanDerWaalsContact OD1-CZ 3.23Å; N33-R48 PolarHBondContact OD1-NH1 3.29Å; N33-R48 PolarHBondContact OD1-NH2 3.46Å |
| 34 | Y | 98.3 | Very high | 97.1 | Very high | 30 Ų | 30 | 55 Ų | 55 | 12% | 0.118 | 30% | 0.301 | C | S | . | . | trans | -68.9 | 140.7 | 179 | -61.3 | -81.7 | 0 | 0 | 0 | 111.4 | D30 P44 F115 G117 D120 F121 I124 | D30-Y34 HydrophobicContact CB-CE2 4.31Å; D30-Y34 WeakPolarHBondContact O-CD2 3.47Å; D30-Y34 WeakPolarHBondContact O-CE2 3.38Å; Y34-P44 WeakPolarHBondContact O-CD 3.47Å; Y34-P44 WeakPolarHBondContact O-CG 3.44Å; Y34-F115 HydrophobicContact CD1-CE2 4.29Å; Y34-G117 WeakPolarHBondContact CD1-O 3.2Å; Y34-G117 WeakPolarHBondContact CE1-O 3.45Å; Y34-D120 HydrophobicContact CE1-CB 3.95Å; Y34-D120 WeakPolarHBondContact OH-CB 3.36Å; Y34-F121 HydrophobicContact CD1-CB 3.89Å; Y34-F121 HydrophobicContact CD2-CB 4.07Å; Y34-F121 AromaticContact CD2-CD2 3.69Å; Y34-F121 HydrophobicContact CD2-CD2 3.69Å; Y34-F121 HydrophobicContact CD2-CG 4.35Å; Y34-F121 HydrophobicContact CE1-CB 4.15Å; Y34-F121 HydrophobicContact CE2-CB 4.33Å; Y34-F121 HydrophobicContact CE2-CD2 4.41Å; Y34-F121 HydrophobicContact CG-CB 3.83Å; Y34-F121 AromaticContact CG-CD2 3.88Å; Y34-F121 HydrophobicContact CG-CD2 3.88Å; Y34-F121 HydrophobicContact CG-CG 4.24Å; Y34-I124 HydrophobicContact CE2-CD1 3.73Å | ||
| 35 | Y | 98.1 | Very high | 97.3 | Very high | 131 Ų | 131 | 57.8 Ų | 57.8 | 51% | 0.514 | 31% | 0.311 | S | S | . | . | trans | -132.3 | 112.6 | -171.2 | -179.2 | -115.1 | 0 | 0 | 0 | 110.9 | G37 Q38 F115 | Y35-G37 VanDerWaalsContact CE1-C 3.48Å; Y35-G37 PolarHBondContact O-N 3.01Å; Y35-G37 VanDerWaalsContact O-N 3.14Å; Y35-G37 PolarHBondContact OH-O 3.38Å; Y35-Q38 VanDerWaalsContact OH-CA 3.24Å; Y35-Q38 WeakPolarHBondContact OH-CA 3.36Å; Y35-Q38 PolarHBondContact OH-N 3.22Å; Y35-F115 VanDerWaalsContact O-CB 3.23Å; Y35-F115 WeakPolarHBondContact O-CB 3.35Å; Y35-F115 WeakPolarHBondContact O-CG 3.32Å | ||
| 36 | Y | 97.5 | Very high | 97.5 | Very high | 43 Ų | 43 | 62.7 Ų | 62.7 | 17% | 0.169 | 33% | 0.329 | C | S | . | . | trans | -67.9 | -10.1 | -179 | -85.6 | -120.2 | 0 | 0 | 0 | 113.9 | H40 M42 P44 P113 F115 F121 | Y36-H40 WeakPolarHBondContact CB-ND1 3.46Å; Y36-H40 AromaticContact CD1-CE1 3.32Å; Y36-H40 WeakPolarHBondContact CD1-CE1 3.18Å; Y36-H40 AromaticContact CD1-ND1 3.43Å; Y36-H40 WeakPolarHBondContact CD1-ND1 3.47Å; Y36-H40 AromaticContact CD1-NE2 3.94Å; Y36-H40 AromaticContact CE1-CE1 3.99Å; Y36-H40 AromaticContact CG-ND1 3.73Å; Y36-M42 HydrophobicContact CD1-CB 3.99Å; Y36-M42 HydrophobicContact CD1-CG 4.3Å; Y36-M42 HydrophobicContact CD2-CB 4.47Å; Y36-M42 HydrophobicContact CD2-CG 4.23Å; Y36-M42 HydrophobicContact CE1-CB 4.04Å; Y36-M42 HydrophobicContact CE1-CG 3.96Å; Y36-M42 HydrophobicContact CE2-CG 3.91Å; Y36-M42 HydrophobicContact CG-CB 4.2Å; Y36-M42 HydrophobicContact CG-CG 4.42Å; Y36-P44 HydrophobicContact CD2-CG 3.81Å; Y36-P44 HydrophobicContact CE2-CG 3.72Å; Y36-P113 HydrophobicContact CD1-CG 4.01Å; Y36-P113 WeakPolarHBondContact O-CG 3.45Å; Y36-F115 HydrophobicContact CD1-CE1 4.1Å; Y36-F115 HydrophobicContact CD2-CD1 4.35Å; Y36-F115 AromaticContact CD2-CE1 3.77Å; Y36-F115 HydrophobicContact CD2-CE1 3.77Å; Y36-F115 HydrophobicContact CD2-CZ 4.02Å; Y36-F115 HydrophobicContact CE1-CE1 4.09Å; Y36-F115 AromaticContact CE2-CE1 3.72Å; Y36-F115 HydrophobicContact CE2-CE1 3.72Å; Y36-F115 AromaticContact CE2-CZ 3.72Å; Y36-F115 HydrophobicContact CE2-CZ 3.72Å; Y36-F115 HydrophobicContact CG-CD1 4.27Å; Y36-F115 AromaticContact CG-CE1 3.96Å; Y36-F115 HydrophobicContact CG-CE1 3.96Å; Y36-F115 AromaticContact CZ-CE1 3.89Å; Y36-F121 HydrophobicContact CE2-CD1 4.5Å; Y36-F121 HydrophobicContact CE2-CE1 4.11Å; Y36-F121 HydrophobicContact CE2-CZ 4.3Å; Y36-F121 VanDerWaalsContact OH-CE1 3.24Å; Y36-F121 WeakPolarHBondContact OH-CE1 3.27Å | ||
| 37 | G | 95.7 | Very high | 97.6 | Very high | 22 Ų | 22 | 63.5 Ų | 63.5 | 23% | 0.227 | 34% | 0.336 | C | S | . | . | trans | 112.9 | 170.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y35 H40 K43 | Y35-G37 VanDerWaalsContact CE1-C 3.48Å; Y35-G37 PolarHBondContact O-N 3.01Å; Y35-G37 VanDerWaalsContact O-N 3.14Å; Y35-G37 PolarHBondContact OH-O 3.38Å; G37-H40 PolarHBondContact O-N 3.2Å; G37-K43 PolarHBondContact O-NZ 3Å | ||
| 38 | Q | 96.1 | Very high | 97.7 | Very high | 185 Ų | 185 | 64.5 Ų | 64.5 | 86% | 0.864 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 137.7 | -178.4 | -171.6 | 174 | 6.4 | 0 | 0 | 110.7 | Y35 H40 | Y35-Q38 VanDerWaalsContact OH-CA 3.24Å; Y35-Q38 WeakPolarHBondContact OH-CA 3.36Å; Y35-Q38 PolarHBondContact OH-N 3.22Å; Q38-H40 PolarHBondContact O-N 2.99Å |
| 39 | G | 96.1 | Very high | 97.7 | Very high | 74 Ų | 74 | 69.4 Ų | 69.4 | 76% | 0.763 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | -20.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 40 | H | 97.4 | Very high | 97.8 | Very high | 34 Ų | 34 | 69.9 Ų | 69.9 | 16% | 0.157 | 36% | 0.364 | C | S | . | . | trans | -65.5 | 130.7 | -175.7 | -166.2 | -84.9 | 0 | 0 | 0 | 112.6 | Y36 G37 Q38 M42 K43 D111 | Y36-H40 WeakPolarHBondContact CB-ND1 3.46Å; Y36-H40 AromaticContact CD1-CE1 3.32Å; Y36-H40 WeakPolarHBondContact CD1-CE1 3.18Å; Y36-H40 AromaticContact CD1-ND1 3.43Å; Y36-H40 WeakPolarHBondContact CD1-ND1 3.47Å; Y36-H40 AromaticContact CD1-NE2 3.94Å; Y36-H40 AromaticContact CE1-CE1 3.99Å; Y36-H40 AromaticContact CG-ND1 3.73Å; G37-H40 PolarHBondContact O-N 3.2Å; Q38-H40 PolarHBondContact O-N 2.99Å; H40-M42 VanDerWaalsContact CE1-CB 3.42Å; H40-M42 WeakPolarHBondContact CE1-CB 3.48Å; H40-M42 WeakPolarHBondContact ND1-CB 3.47Å; H40-M42 PolarHBondContact ND1-N 3.01Å; H40-M42 VanDerWaalsContact ND1-N 3.12Å; H40-M42 PolarHBondContact O-N 3.05Å; H40-K43 WeakPolarHBondContact O-CE 3.35Å; H40-K43 PolarHBondContact O-NZ 3.42Å; H40-D111 PolarHBondContact NE2-O 2.94Å; H40-D111 VanDerWaalsContact NE2-O 3.08Å | ||
| 41 | P | 97.6 | Very high | 97.8 | Very high | 117 Ų | 117 | 68 Ų | 68 | 76% | 0.76 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -73 | -26.6 | -172.8 | 27.7 | -35.5 | 0 | 0 | 0 | 114 | K43 | P41-K43 PolarHBondContact O-N 3.26Š|
| 42 | M | 98.1 | Very high | 97.8 | Very high | 68 Ų | 68 | 71.3 Ų | 71.3 | 34% | 0.335 | 37% | 0.37 | S | S | . | . | trans | -72 | 110.4 | 176.1 | -174.3 | 56.9 | 66.5 | 0 | 0 | 110.6 | Y36 H40 R46 | Y36-M42 HydrophobicContact CD1-CB 3.99Å; Y36-M42 HydrophobicContact CD1-CG 4.3Å; Y36-M42 HydrophobicContact CD2-CB 4.47Å; Y36-M42 HydrophobicContact CD2-CG 4.23Å; Y36-M42 HydrophobicContact CE1-CB 4.04Å; Y36-M42 HydrophobicContact CE1-CG 3.96Å; Y36-M42 HydrophobicContact CE2-CG 3.91Å; Y36-M42 HydrophobicContact CG-CB 4.2Å; Y36-M42 HydrophobicContact CG-CG 4.42Å; H40-M42 VanDerWaalsContact CE1-CB 3.42Å; H40-M42 WeakPolarHBondContact CE1-CB 3.48Å; H40-M42 WeakPolarHBondContact ND1-CB 3.47Å; H40-M42 PolarHBondContact ND1-N 3.01Å; H40-M42 VanDerWaalsContact ND1-N 3.12Å; H40-M42 PolarHBondContact O-N 3.05Å; M42-R46 PolarHBondContact SD-NH2 3.03Å | ||
| 43 | K | 98 | Very high | 97.9 | Very high | 80 Ų | 80 | 75.9 Ų | 75.9 | 35% | 0.348 | 39% | 0.393 | S | S | . | . | trans | -114.7 | 99 | 176.9 | -55.1 | -52.9 | -170.9 | -167.8 | 0 | 110.5 | G37 H40 P41 H45 R46 | G37-K43 PolarHBondContact O-NZ 3Å; H40-K43 WeakPolarHBondContact O-CE 3.35Å; H40-K43 PolarHBondContact O-NZ 3.42Å; P41-K43 PolarHBondContact O-N 3.26Å; K43-H45 PolarHBondContact O-N 3.4Å; K43-R46 WeakPolarHBondContact O-CB 3.5Å; K43-R46 WeakPolarHBondContact O-CD 3.35Å; K43-R46 WeakPolarHBondContact O-CG 3.33Å; K43-R46 PolarHBondContact O-N 3.4Å | ||
| 44 | P | 98.4 | Very high | 97.9 | Very high | 3 Ų | 3 | 72.4 Ų | 72.4 | 2% | 0.019 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -26.4 | 177.5 | -30.3 | 37.9 | 0 | 0 | 0 | 114.3 | V31 Y34 Y36 R46 I47 F121 | V31-P44 WeakPolarHBondContact O-CB 3.47Å; Y34-P44 WeakPolarHBondContact O-CD 3.47Å; Y34-P44 WeakPolarHBondContact O-CG 3.44Å; Y36-P44 HydrophobicContact CD2-CG 3.81Å; Y36-P44 HydrophobicContact CE2-CG 3.72Å; P44-R46 PolarHBondContact O-N 3.43Å; P44-I47 WeakPolarHBondContact O-CB 3.38Å; P44-I47 PolarHBondContact O-N 3.04Å; P44-F121 HydrophobicContact CB-CE2 3.92Å; P44-F121 HydrophobicContact CG-CE2 3.9Å; P44-F121 HydrophobicContact CG-CZ 4.25Å |
| 45 | H | 98.4 | Very high | 97.8 | Very high | 93 Ų | 93 | 74.2 Ų | 74.2 | 43% | 0.431 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -47.2 | -30.8 | 171.2 | -167.6 | 74.3 | 0 | 0 | 0 | 114.5 | K43 I47 R48 M49 | K43-H45 PolarHBondContact O-N 3.4Å; H45-I47 PolarHBondContact O-N 3.44Å; H45-I47 VanDerWaalsContact O-N 3.14Å; H45-R48 WeakPolarHBondContact O-CB 3.44Å; H45-R48 PolarHBondContact O-N 2.78Å; H45-M49 PolarHBondContact O-N 3.35Å |
| 46 | R | 98.6 | Very high | 97.8 | Very high | 146 Ų | 146 | 74.7 Ų | 74.7 | 55% | 0.551 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -55.7 | -30.6 | 175.7 | 73.2 | -166.9 | 172.4 | 87.2 | -1.1 | 113.3 | M42 K43 P44 M49 A50 | M42-R46 PolarHBondContact SD-NH2 3.03Å; K43-R46 WeakPolarHBondContact O-CB 3.5Å; K43-R46 WeakPolarHBondContact O-CD 3.35Å; K43-R46 WeakPolarHBondContact O-CG 3.33Å; K43-R46 PolarHBondContact O-N 3.4Å; P44-R46 PolarHBondContact O-N 3.43Å; R46-M49 PolarHBondContact O-N 2.85Å; R46-A50 PolarHBondContact O-N 2.83Å |
| 47 | I | 98.5 | Very high | 97.9 | Very high | 57 Ų | 57 | 80.8 Ų | 80.8 | 29% | 0.292 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -69.7 | -41.9 | 177.6 | -59 | 167.1 | 0 | 0 | 0 | 110.2 | Y27 V31 P44 H45 A50 H51 | Y27-I47 HydrophobicContact CD2-CG2 4.22Å; Y27-I47 HydrophobicContact CE2-CG2 4.26Å; V31-I47 HydrophobicContact CG1-CB 3.99Å; V31-I47 HydrophobicContact CG1-CD1 4.44Å; V31-I47 HydrophobicContact CG1-CG2 3.6Å; V31-I47 HydrophobicContact CG2-CD1 3.81Å; P44-I47 WeakPolarHBondContact O-CB 3.38Å; P44-I47 PolarHBondContact O-N 3.04Å; H45-I47 PolarHBondContact O-N 3.44Å; H45-I47 VanDerWaalsContact O-N 3.14Å; I47-A50 PolarHBondContact O-N 3.02Å; I47-H51 PolarHBondContact O-N 2.89Å |
| 48 | R | 98.4 | Very high | 97.9 | Very high | 55 Ų | 55 | 80.7 Ų | 80.7 | 21% | 0.208 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 173.3 | 177.6 | 178 | -65.6 | 160.9 | 2.5 | 111.8 | G29 N33 H45 H51 N52 | G29-R48 PolarHBondContact O-NH2 2.88Å; N33-R48 PolarHBondContact ND2-NH2 2.94Å; N33-R48 VanDerWaalsContact OD1-CZ 3.23Å; N33-R48 PolarHBondContact OD1-NH1 3.29Å; N33-R48 PolarHBondContact OD1-NH2 3.46Å; H45-R48 WeakPolarHBondContact O-CB 3.44Å; H45-R48 PolarHBondContact O-N 2.78Å; R48-H51 WeakPolarHBondContact O-CB 3.16Å; R48-H51 PolarHBondContact O-N 2.7Å; R48-N52 PolarHBondContact O-N 3.45Å |
| 49 | M | 98.5 | Very high | 97.9 | Very high | 107 Ų | 107 | 76.3 Ų | 76.3 | 53% | 0.527 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.5 | -47.7 | 175.2 | -65.5 | 171.7 | 64.3 | 0 | 0 | 111.3 | H45 R46 H51 N52 L53 | H45-M49 PolarHBondContact O-N 3.35Å; R46-M49 PolarHBondContact O-N 2.85Å; M49-H51 VanDerWaalsContact C-N 3.34Å; M49-H51 PolarHBondContact O-N 3.23Å; M49-N52 PolarHBondContact O-N 3.25Å; M49-L53 WeakPolarHBondContact O-CG 3.47Å; M49-L53 PolarHBondContact O-N 3.41Å |
| 50 | A | 98.6 | Very high | 97.8 | Very high | 45 Ų | 45 | 76.9 Ų | 76.9 | 37% | 0.372 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | R46 I47 N52 L53 I54 | R46-A50 PolarHBondContact O-N 2.83Å; I47-A50 PolarHBondContact O-N 3.02Å; A50-N52 PolarHBondContact O-N 2.94Å; A50-L53 PolarHBondContact O-N 2.94Å; A50-I54 WeakPolarHBondContact O-CG1 2.98Å; A50-I54 PolarHBondContact O-N 3.19Å |
| 51 | H | 98.4 | Very high | 97.7 | Very high | 21 Ų | 21 | 83.7 Ų | 83.7 | 10% | 0.097 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -58.5 | -45.5 | 174.9 | -174 | 70.1 | 0 | 0 | 0 | 112.3 | Y25 Y27 I47 R48 M49 L53 I54 L55 | Y25-H51 AromaticContact CE1-CE1 3.86Å; Y25-H51 AromaticContact CE1-ND1 3.35Å; Y25-H51 WeakPolarHBondContact CE1-ND1 3.43Å; Y25-H51 AromaticContact CZ-ND1 3.63Å; Y25-H51 PolarHBondContact OH-ND1 2.88Å; Y27-H51 HydrophobicContact CD1-CB 4.5Å; Y27-H51 AromaticContact CD1-CD2 3.65Å; Y27-H51 AromaticContact CD1-CE1 3.35Å; Y27-H51 WeakPolarHBondContact CD1-CE1 3.4Å; Y27-H51 AromaticContact CD1-CG 3.63Å; Y27-H51 AromaticContact CD1-ND1 3.46Å; Y27-H51 WeakPolarHBondContact CD1-ND1 3.4Å; Y27-H51 AromaticContact CD1-NE2 3.47Å; Y27-H51 WeakPolarHBondContact CD1-NE2 3.46Å; Y27-H51 HydrophobicContact CD2-CB 3.8Å; Y27-H51 AromaticContact CD2-CG 3.77Å; Y27-H51 AromaticContact CD2-ND1 3.81Å; Y27-H51 HydrophobicContact CE1-CB 4.28Å; Y27-H51 AromaticContact CE1-CD2 3.3Å; Y27-H51 WeakPolarHBondContact CE1-CD2 3.42Å; Y27-H51 AromaticContact CE1-CE1 3.84Å; Y27-H51 AromaticContact CE1-CG 3.57Å; Y27-H51 AromaticContact CE1-ND1 3.9Å; Y27-H51 AromaticContact CE1-NE2 3.49Å; Y27-H51 WeakPolarHBondContact CE1-NE2 3.49Å; Y27-H51 HydrophobicContact CE2-CB 3.55Å; Y27-H51 AromaticContact CE2-CG 3.72Å; Y27-H51 HydrophobicContact CG-CB 4.26Å; Y27-H51 AromaticContact CG-CE1 3.73Å; Y27-H51 AromaticContact CG-CG 3.72Å; Y27-H51 AromaticContact CG-ND1 3.39Å; Y27-H51 AromaticContact CZ-CD2 3.62Å; Y27-H51 AromaticContact CZ-CG 3.62Å; I47-H51 PolarHBondContact O-N 2.89Å; R48-H51 WeakPolarHBondContact O-CB 3.16Å; R48-H51 PolarHBondContact O-N 2.7Å; M49-H51 VanDerWaalsContact C-N 3.34Å; M49-H51 PolarHBondContact O-N 3.23Å; H51-L53 VanDerWaalsContact C-N 3.34Å; H51-L53 PolarHBondContact O-N 3.44Å; H51-I54 WeakPolarHBondContact O-CB 3.3Å; H51-I54 PolarHBondContact O-N 3.18Å; H51-L55 WeakPolarHBondContact O-CG 3.35Å; H51-L55 PolarHBondContact O-N 3.01Å |
| 52 | N | 98.2 | Very high | 97.5 | Very high | 78 Ų | 78 | 84 Ų | 84 | 42% | 0.417 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 177.7 | -76.8 | -19.8 | 0 | 0 | 0 | 112.3 | R48 M49 A50 L55 N56 | R48-N52 PolarHBondContact O-N 3.45Å; M49-N52 PolarHBondContact O-N 3.25Å; A50-N52 PolarHBondContact O-N 2.94Å; N52-L55 PolarHBondContact O-N 2.94Å; N52-N56 WeakPolarHBondContact O-CB 3.41Å; N52-N56 PolarHBondContact O-N 3.12Å; N52-N56 PolarHBondContact O-ND2 3.44Å |
| 53 | L | 98.5 | Very high | 97.2 | Very high | 102 Ų | 102 | 82.4 Ų | 82.4 | 53% | 0.534 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62 | -47.4 | 173.8 | -68.1 | 172.7 | 0 | 0 | 0 | 110.9 | M49 A50 H51 L55 N56 Y57 | M49-L53 WeakPolarHBondContact O-CG 3.47Å; M49-L53 PolarHBondContact O-N 3.41Å; A50-L53 PolarHBondContact O-N 2.94Å; H51-L53 VanDerWaalsContact C-N 3.34Å; H51-L53 PolarHBondContact O-N 3.44Å; L53-L55 VanDerWaalsContact C-N 3.27Å; L53-L55 PolarHBondContact O-N 3.33Å; L53-N56 PolarHBondContact O-N 2.95Å; L53-Y57 HydrophobicContact CB-CD2 4.34Å; L53-Y57 HydrophobicContact CD2-CE2 4.24Å; L53-Y57 WeakPolarHBondContact O-CB 3.37Å; L53-Y57 VanDerWaalsContact O-CD2 3.25Å; L53-Y57 WeakPolarHBondContact O-CD2 3.48Å; L53-Y57 PolarHBondContact O-N 3.17Å |
| 54 | I | 98 | Very high | 97 | Very high | 29 Ų | 29 | 82 Ų | 82 | 15% | 0.149 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -53.4 | -44.2 | 176.2 | -77.7 | 167 | 0 | 0 | 0 | 112 | Y25 A50 H51 G58 M59 M63 | Y25-I54 HydrophobicContact CD2-CD1 4.17Å; Y25-I54 HydrophobicContact CE1-CD1 4.49Å; Y25-I54 HydrophobicContact CE2-CD1 3.51Å; A50-I54 WeakPolarHBondContact O-CG1 2.98Å; A50-I54 PolarHBondContact O-N 3.19Å; H51-I54 WeakPolarHBondContact O-CB 3.3Å; H51-I54 PolarHBondContact O-N 3.18Å; I54-G58 PolarHBondContact O-N 3.02Å; I54-M59 HydrophobicContact CG1-SD 4.45Å; I54-M59 HydrophobicContact CG2-CB 4.28Å; I54-M59 PolarHBondContact O-N 3Å; I54-M59 VanDerWaalsContact O-N 3.08Å; I54-M63 HydrophobicContact CB-CE 4.48Å; I54-M63 HydrophobicContact CG2-CE 3.18Å |
| 55 | L | 97.5 | Very high | 96.8 | Very high | 69 Ų | 69 | 85.1 Ų | 85.1 | 36% | 0.361 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.6 | -49.9 | 177.8 | -68 | 180 | 0 | 0 | 0 | 111.7 | H51 N52 L53 Y57 G58 Y60 | H51-L55 WeakPolarHBondContact O-CG 3.35Å; H51-L55 PolarHBondContact O-N 3.01Å; N52-L55 PolarHBondContact O-N 2.94Å; L53-L55 VanDerWaalsContact C-N 3.27Å; L53-L55 PolarHBondContact O-N 3.33Å; L55-Y57 VanDerWaalsContact C-N 3.35Å; L55-Y57 PolarHBondContact O-N 3Å; L55-G58 PolarHBondContact O-N 3.14Å; L55-Y60 HydrophobicContact CD2-CD1 4.08Å; L55-Y60 HydrophobicContact CD2-CG 4.08Å |
| 56 | N | 98.1 | Very high | 96.6 | Very high | 141 Ų | 141 | 83.9 Ų | 83.9 | 75% | 0.754 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -67.6 | -32.2 | -176.6 | -77.3 | -69.9 | 0 | 0 | 0 | 113.2 | N52 L53 G58 | N52-N56 WeakPolarHBondContact O-CB 3.41Å; N52-N56 PolarHBondContact O-N 3.12Å; N52-N56 PolarHBondContact O-ND2 3.44Å; L53-N56 PolarHBondContact O-N 2.95Å; N56-G58 PolarHBondContact O-N 2.92Å |
| 57 | Y | 98 | Very high | 96.4 | Very high | 170 Ų | 170 | 84.4 Ų | 84.4 | 67% | 0.667 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -2.2 | 172.4 | -80.5 | -73.3 | 0 | 0 | 0 | 113.5 | L53 L55 M59 | L53-Y57 HydrophobicContact CB-CD2 4.34Å; L53-Y57 HydrophobicContact CD2-CE2 4.24Å; L53-Y57 WeakPolarHBondContact O-CB 3.37Å; L53-Y57 VanDerWaalsContact O-CD2 3.25Å; L53-Y57 WeakPolarHBondContact O-CD2 3.48Å; L53-Y57 PolarHBondContact O-N 3.17Å; L55-Y57 VanDerWaalsContact C-N 3.35Å; L55-Y57 PolarHBondContact O-N 3Å; Y57-M59 HydrophobicContact CD2-CE 4.48Å; Y57-M59 HydrophobicContact CG-CE 4.17Å; Y57-M59 PolarHBondContact O-N 3.02Å |
| 58 | G | 96.9 | Very high | 96.1 | Very high | 20 Ų | 20 | 82.1 Ų | 82.1 | 21% | 0.206 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 10.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | I54 L55 N56 Y60 R61 | I54-G58 PolarHBondContact O-N 3.02Å; L55-G58 PolarHBondContact O-N 3.14Å; N56-G58 PolarHBondContact O-N 2.92Å; G58-Y60 PolarHBondContact O-N 2.67Å; G58-R61 WeakPolarHBondContact O-CB 3.28Å; G58-R61 WeakPolarHBondContact O-CG 3.29Å; G58-R61 PolarHBondContact O-N 3.22Å; G58-R61 VanDerWaalsContact O-N 3.13Å |
| 59 | M | 96.4 | Very high | 95.9 | Very high | 94 Ų | 94 | 86 Ų | 86 | 46% | 0.463 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -62.9 | -29.5 | -177.1 | -63.8 | -177.1 | -173.4 | 0 | 0 | 112.3 | I54 Y57 R61 Q62 M63 | I54-M59 HydrophobicContact CG1-SD 4.45Å; I54-M59 HydrophobicContact CG2-CB 4.28Å; I54-M59 PolarHBondContact O-N 3Å; I54-M59 VanDerWaalsContact O-N 3.08Å; Y57-M59 HydrophobicContact CD2-CE 4.48Å; Y57-M59 HydrophobicContact CG-CE 4.17Å; Y57-M59 PolarHBondContact O-N 3.02Å; M59-R61 PolarHBondContact O-N 2.98Å; M59-Q62 PolarHBondContact O-N 3.2Å; M59-M63 HydrophobicContact CB-CE 4.5Å |
| 60 | Y | 94.3 | Very high | 95.7 | Very high | 85 Ų | 85 | 85.7 Ų | 85.7 | 33% | 0.333 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -56.6 | -22.7 | 176.3 | 77.5 | -84.7 | 0 | 0 | 0 | 113.6 | L55 G58 Q62 M63 | L55-Y60 HydrophobicContact CD2-CD1 4.08Å; L55-Y60 HydrophobicContact CD2-CG 4.08Å; G58-Y60 PolarHBondContact O-N 2.67Å; Y60-Q62 PolarHBondContact O-N 2.89Å; Y60-M63 VanDerWaalsContact O-O 3.05Å |
| 61 | R | 94.3 | Very high | 95.6 | Very high | 177 Ų | 177 | 83.7 Ų | 83.7 | 67% | 0.668 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -72.9 | -13.4 | 177 | -58.5 | 177.6 | -174.6 | -91.3 | 3.1 | 113.1 | G58 M59 | G58-R61 WeakPolarHBondContact O-CB 3.28Å; G58-R61 WeakPolarHBondContact O-CG 3.29Å; G58-R61 PolarHBondContact O-N 3.22Å; G58-R61 VanDerWaalsContact O-N 3.13Å; M59-R61 PolarHBondContact O-N 2.98Å |
| 62 | Q | 92.7 | Very high | 95.4 | Very high | 123 Ų | 123 | 85.4 Ų | 85.4 | 58% | 0.575 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -110.4 | 7.5 | -175.5 | -58.7 | -177 | -9.3 | 0 | 0 | 112.9 | M59 Y60 | M59-Q62 PolarHBondContact O-N 3.2Å; Y60-Q62 PolarHBondContact O-N 2.89Å |
| 63 | M | 93.5 | Very high | 95.3 | Very high | 35 Ų | 35 | 82.9 Ų | 82.9 | 17% | 0.172 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -147.1 | 159.7 | -177.9 | 60.8 | -174.6 | 176.9 | 0 | 0 | 111.6 | I23 Y25 I54 M59 Y60 V65 | I23-M63 HydrophobicContact CB-CB 3.87Å; I23-M63 HydrophobicContact CG2-CB 3.84Å; I23-M63 HydrophobicContact CG2-SD 4.33Å; I23-M63 WeakPolarHBondContact O-CA 3.25Å; I23-M63 WeakPolarHBondContact O-CB 3.45Å; Y25-M63 WeakPolarHBondContact CB-SD 3.36Å; Y25-M63 HydrophobicContact CD1-CE 4.02Å; Y25-M63 HydrophobicContact CD2-CE 4.43Å; Y25-M63 HydrophobicContact CG-CE 3.87Å; Y25-M63 HydrophobicContact CG-SD 3.99Å; I54-M63 HydrophobicContact CB-CE 4.48Å; I54-M63 HydrophobicContact CG2-CE 3.18Å; M59-M63 HydrophobicContact CB-CE 4.5Å; Y60-M63 VanDerWaalsContact O-O 3.05Å; M63-V65 HydrophobicContact CE-CG2 4.28Å; M63-V65 HydrophobicContact CG-CG2 4.2Å |
| 64 | M | 93 | Very high | 95.1 | Very high | 71 Ų | 71 | 83.3 Ų | 83.3 | 35% | 0.35 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 116.4 | 174 | -58.3 | -174.6 | -57.9 | 0 | 0 | 108.6 | I23 C24 Y25 Y66 | I23-M64 PolarHBondContact O-N 2.87Å; C24-M64 CarbonylContact C-O 3.58Å; C24-M64 WeakPolarHBondContact CA-O 3.41Å; C24-M64 WeakPolarHBondContact SG-CE 3.05Å; Y25-M64 PolarHBondContact N-O 3.36Å; M64-Y66 HydrophobicContact CB-CD2 4.25Å; M64-Y66 HydrophobicContact CB-CE2 3.37Å; M64-Y66 HydrophobicContact CE-CE2 4.28Å; M64-Y66 PolarHBondContact SD-OH 3.41Å |
| 65 | V | 93.4 | Very high | 94.9 | Very high | 69 Ų | 69 | 84.4 Ų | 84.4 | 42% | 0.418 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 123.3 | -179.1 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | Y25 M63 | Y25-V65 HydrophobicContact CD1-CB 4.47Å; Y25-V65 HydrophobicContact CD1-CG1 3.99Å; Y25-V65 HydrophobicContact CD1-CG2 4.08Å; Y25-V65 HydrophobicContact CE1-CG1 4.45Å; Y25-V65 CarbonylContact O-C 3.58Å; Y25-V65 WeakPolarHBondContact O-CA 3.46Å; M63-V65 HydrophobicContact CE-CG2 4.28Å; M63-V65 HydrophobicContact CG-CG2 4.2Å |
| 66 | Y | 94.6 | Very high | 94.9 | Very high | 68 Ų | 68 | 82 Ų | 82 | 27% | 0.267 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 148 | -179.6 | -62.3 | -80.2 | 0 | 0 | 0 | 111 | C24 Y25 Y26 Y27 M64 F135 | C24-Y66 HydrophobicContact CB-CD2 4.25Å; C24-Y66 HydrophobicContact CB-CE2 4.13Å; Y25-Y66 PolarHBondContact O-N 2.95Å; Y26-Y66 WeakPolarHBondContact CA-O 3.49Å; Y26-Y66 HydrophobicContact CE1-CD2 4.29Å; Y26-Y66 HydrophobicContact CE1-CG 4.25Å; Y27-Y66 PolarHBondContact N-O 3.03Å; M64-Y66 HydrophobicContact CB-CD2 4.25Å; M64-Y66 HydrophobicContact CB-CE2 3.37Å; M64-Y66 HydrophobicContact CE-CE2 4.28Å; M64-Y66 PolarHBondContact SD-OH 3.41Å; Y66-F135 HydrophobicContact CE1-CZ 4.41Å |
| 67 | R | 94.6 | Very high | 94.8 | Very high | 156 Ų | 156 | 77.9 Ų | 77.9 | 59% | 0.589 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -84.7 | 123 | 159.8 | -173.4 | 178.9 | -173.6 | 164.3 | 9.3 | 107.5 | Y27 D28 D30 | Y27-R67 WeakPolarHBondContact O-CA 3.47Å; D28-R67 IonicContact OD1-CZ 3.96Å; D28-R67 IonicContact OD1-NE 3.86Å; D28-R67 IonicContact OD1-NH2 3.23Å; D28-R67 PolarHBondContact OD1-NH2 3.08Å; D28-R67 VanDerWaalsContact OD1-NH2 3.13Å; D28-R67 IonicContact OD2-CZ 3.13Å; D28-R67 IonicContact OD2-NE 2.78Å; D28-R67 PolarHBondContact OD2-NE 2.88Å; D28-R67 IonicContact OD2-NH2 2.69Å; D28-R67 PolarHBondContact OD2-NH2 3.23Å; D30-R67 IonicContact OD2-NH2 3.88Å; D30-R67 PolarHBondContact OD2-NH2 2.85Å |
| 68 | P | 92.8 | Very high | 94.7 | Very high | 9 Ų | 9 | 77.5 Ų | 77.5 | 6% | 0.058 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 143.1 | -179.7 | 29.2 | -35.1 | 0 | 0 | 0 | 110.7 | Y26 Y27 D28 | Y26-P68 HydrophobicContact CD1-CB 4.12Å; Y27-P68 WeakPolarHBondContact O-CD 3.47Å; D28-P68 HydrophobicContact CB-CG 4.09Å |
| 69 | M | 93.3 | Very high | 94.7 | Very high | 137 Ų | 137 | 85.1 Ų | 85.1 | 68% | 0.675 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -66 | 133.9 | 162 | -69.6 | -173.9 | 59.5 | 0 | 0 | 109 | A71 G127 | M69-A71 PolarHBondContact O-N 3.42Å; M69-G127 CarbonylContact O-C 3.59Å; M69-G127 WeakPolarHBondContact O-CA 3.33Å |
| 70 | R | 94.7 | Very high | 94.8 | Very high | 100 Ų | 100 | 84.2 Ų | 84.2 | 38% | 0.377 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 129.5 | 172 | -72.2 | -169.8 | -177.8 | -163.9 | 1.6 | 109.1 | C72 D120 Q123 I124 | R70-C72 PolarHBondContact O-N 3.07Å; R70-D120 IonicContact CZ-OD1 2.99Å; R70-D120 IonicContact NH1-OD1 2.77Å; R70-D120 PolarHBondContact NH1-OD1 3.11Å; R70-Q123 HydrophobicContact CB-CB 4.03Å; R70-Q123 HydrophobicContact CG-CB 4.39Å; R70-I124 HydrophobicContact CG-CG1 4.15Å |
| 71 | A | 96.1 | Very high | 95 | Very high | 3 Ų | 3 | 84 Ų | 84 | 3% | 0.025 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 129.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | M69 I76 Q123 A126 L130 | M69-A71 PolarHBondContact O-N 3.42Å; A71-I76 HydrophobicContact CB-CD1 4.23Å; A71-I76 HydrophobicContact CB-CG1 3.98Å; A71-Q123 PolarHBondContact N-O 3.37Å; A71-Q123 WeakPolarHBondContact O-CG 3.46Å; A71-Q123 PolarHBondContact O-NE2 2.85Å; A71-A126 HydrophobicContact CB-CB 3.72Å; A71-L130 HydrophobicContact CB-CD1 3.93Å |
| 72 | C | 94.5 | Very high | 95.1 | Very high | 57 Ų | 57 | 80.7 Ų | 80.7 | 39% | 0.385 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 160.9 | 173.4 | 71.2 | 0 | 0 | 0 | 0 | 110.2 | R70 D74 D75 I76 | R70-C72 PolarHBondContact O-N 3.07Å; C72-D74 PolarHBondContact O-N 3.49Å; C72-D75 WeakPolarHBondContact O-CB 3.24Å; C72-D75 PolarHBondContact O-N 3.42Å; C72-D75 VanDerWaalsContact O-N 3.08Å; C72-D75 PolarHBondContact SG-N 3.08Å; C72-D75 VanDerWaalsContact SG-N 3.35Å; C72-D75 PolarHBondContact SG-OD2 2.99Å; C72-I76 PolarHBondContact O-N 3.13Å |
| 73 | T | 95.6 | Very high | 95.4 | Very high | 25 Ų | 25 | 80 Ų | 80 | 15% | 0.153 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -54.6 | -40.7 | 178.2 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | D75 I76 K77 V85 E89 | T73-D75 VanDerWaalsContact C-N 3.34Å; T73-D75 PolarHBondContact O-N 2.78Å; T73-I76 PolarHBondContact O-N 2.9Å; T73-K77 HydrophobicContact CG2-CD 4.26Å; T73-K77 WeakPolarHBondContact O-CG 3.37Å; T73-K77 PolarHBondContact O-N 3.21Å; T73-V85 HydrophobicContact CG2-CG1 3.57Å; T73-E89 PolarHBondContact OG1-OE1 3.3Å |
| 74 | D | 95.4 | Very high | 95.6 | Very high | 112 Ų | 112 | 81.3 Ų | 81.3 | 60% | 0.599 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.9 | -36.2 | 179 | -64.9 | -22.5 | 0 | 0 | 0 | 112.8 | C72 K77 K78 | C72-D74 PolarHBondContact O-N 3.49Å; D74-K77 PolarHBondContact O-N 2.86Å; D74-K78 PolarHBondContact O-N 3Å |
| 75 | D | 94 | Very high | 95.8 | Very high | 51 Ų | 51 | 78 Ų | 78 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 175.9 | -77.5 | -33.4 | 0 | 0 | 0 | 111.7 | C72 T73 K78 L130 | C72-D75 WeakPolarHBondContact O-CB 3.24Å; C72-D75 PolarHBondContact O-N 3.42Å; C72-D75 VanDerWaalsContact O-N 3.08Å; C72-D75 PolarHBondContact SG-N 3.08Å; C72-D75 VanDerWaalsContact SG-N 3.35Å; C72-D75 PolarHBondContact SG-OD2 2.99Å; T73-D75 VanDerWaalsContact C-N 3.34Å; T73-D75 PolarHBondContact O-N 2.78Å; D75-K78 WeakPolarHBondContact O-CB 3.32Å; D75-K78 PolarHBondContact O-N 2.84Å; D75-K78 IonicContact OD1-NZ 3.33Å; D75-K78 PolarHBondContact OD1-NZ 3.02Å; D75-L130 HydrophobicContact CB-CD1 3.83Å |
| 76 | I | 96.3 | Very high | 96 | Very high | 20 Ų | 20 | 79.5 Ų | 79.5 | 10% | 0.103 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.7 | -38.7 | 178.4 | -59.2 | 173.6 | 0 | 0 | 0 | 110.3 | A71 C72 T73 K78 F79 H80 V85 F119 Q123 A126 | A71-I76 HydrophobicContact CB-CD1 4.23Å; A71-I76 HydrophobicContact CB-CG1 3.98Å; C72-I76 PolarHBondContact O-N 3.13Å; T73-I76 PolarHBondContact O-N 2.9Å; I76-K78 PolarHBondContact O-N 3.17Å; I76-F79 PolarHBondContact O-N 3.47Å; I76-H80 PolarHBondContact O-CD2 2.74Å; I76-H80 PolarHBondContact O-N 3.38Å; I76-V85 HydrophobicContact CB-CG1 4.38Å; I76-V85 HydrophobicContact CB-CG2 4.47Å; I76-V85 HydrophobicContact CG2-CG1 4.2Å; I76-V85 HydrophobicContact CG2-CG2 3.79Å; I76-F119 HydrophobicContact CD1-CE2 4.13Å; I76-F119 HydrophobicContact CD1-CZ 4.08Å; I76-Q123 HydrophobicContact CD1-CG 4.23Å; I76-A126 HydrophobicContact CG1-CB 4.47Å |
| 77 | K | 96.8 | Very high | 96.2 | Very high | 54 Ų | 54 | 76.4 Ų | 76.4 | 24% | 0.235 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.7 | -15.7 | 176.2 | -74.8 | 177.3 | 177.7 | -178.9 | 0 | 114.1 | T73 D74 F79 H80 E82 V85 | T73-K77 HydrophobicContact CG2-CD 4.26Å; T73-K77 WeakPolarHBondContact O-CG 3.37Å; T73-K77 PolarHBondContact O-N 3.21Å; D74-K77 PolarHBondContact O-N 2.86Å; K77-F79 PolarHBondContact O-N 3.49Å; K77-F79 VanDerWaalsContact O-N 3.13Å; K77-H80 CarbonylContact C-O 3.52Å; K77-E82 HydrophobicContact CD-CG 4.45Å; K77-E82 IonicContact NZ-OE1 2.73Å; K77-E82 PolarHBondContact NZ-OE1 3.34Å; K77-V85 HydrophobicContact CG-CB 3.91Å; K77-V85 HydrophobicContact CG-CG1 4.1Å; K77-V85 HydrophobicContact CG-CG2 3.81Å |
| 78 | K | 95.9 | Very high | 96.4 | Very high | 162 Ų | 162 | 69.6 Ų | 69.6 | 70% | 0.704 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -23.3 | 176 | -71.9 | 171.6 | 179.4 | 164 | 0 | 113.2 | D74 D75 I76 | D74-K78 PolarHBondContact O-N 3Å; D75-K78 WeakPolarHBondContact O-CB 3.32Å; D75-K78 PolarHBondContact O-N 2.84Å; D75-K78 IonicContact OD1-NZ 3.33Å; D75-K78 PolarHBondContact OD1-NZ 3.02Å; I76-K78 PolarHBondContact O-N 3.17Å |
| 79 | F | 97.1 | Very high | 96.6 | Very high | 179 Ų | 179 | 73.6 Ų | 73.6 | 79% | 0.785 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.1 | -40.9 | 177 | -179.6 | -102.9 | 0 | 0 | 0 | 112.8 | I76 K77 | I76-F79 PolarHBondContact O-N 3.47Å; K77-F79 PolarHBondContact O-N 3.49Å; K77-F79 VanDerWaalsContact O-N 3.13Å |
| 80 | H | 98 | Very high | 96.7 | Very high | 76 Ų | 76 | 69.5 Ų | 69.5 | 35% | 0.352 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -85.7 | 151.5 | -178.1 | -66.9 | -72.2 | 0 | 0 | 0 | 112 | I76 K77 Y84 V85 | I76-H80 PolarHBondContact O-CD2 2.74Å; I76-H80 PolarHBondContact O-N 3.38Å; K77-H80 CarbonylContact C-O 3.52Å; H80-Y84 HydrophobicContact CB-CD1 4.03Å; H80-Y84 AromaticContact ND1-CD1 3.77Å; H80-Y84 AromaticContact ND1-CE1 3.73Å; H80-V85 HydrophobicContact CB-CG2 3.6Å |
| 81 | T | 98.1 | Very high | 96.9 | Very high | 80 Ų | 80 | 65.1 Ų | 65.1 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | trans | -64.4 | 146.7 | 174.6 | 69.9 | 0 | 0 | 0 | 0 | 110.9 | E83 Y84 V85 | T81-E83 WeakPolarHBondContact CB-OE2 3.43Å; T81-E83 PolarHBondContact O-N 3.2Å; T81-E83 PolarHBondContact OG1-OE2 3.38Å; T81-Y84 PolarHBondContact O-N 2.83Å; T81-Y84 VanDerWaalsContact O-N 3.12Å; T81-Y84 WeakPolarHBondContact OG1-CB 3.48Å; T81-Y84 PolarHBondContact OG1-N 2.69Å; T81-V85 PolarHBondContact O-N 3.13Å; T81-V85 VanDerWaalsContact O-N 3.14Å | ||
| 82 | E | 97.8 | Very high | 96.9 | Very high | 107 Ų | 107 | 70.5 Ų | 70.5 | 50% | 0.5 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.1 | -42.1 | 179.5 | 172 | 153.5 | -133.8 | 0 | 0 | 111.7 | K77 Y84 V85 M86 | K77-E82 HydrophobicContact CD-CG 4.45Å; K77-E82 IonicContact NZ-OE1 2.73Å; K77-E82 PolarHBondContact NZ-OE1 3.34Å; E82-Y84 VanDerWaalsContact C-N 3.3Å; E82-Y84 PolarHBondContact O-N 3.45Å; E82-V85 PolarHBondContact O-N 3.21Å; E82-M86 HydrophobicContact CG-CG 4.24Å; E82-M86 HydrophobicContact CG-SD 3.78Å; E82-M86 WeakPolarHBondContact O-CB 3.44Å; E82-M86 VanDerWaalsContact O-CG 3.3Å; E82-M86 WeakPolarHBondContact O-CG 3.36Å; E82-M86 PolarHBondContact O-N 3.22Å |
| 83 | E | 97.6 | Very high | 97 | Very high | 110 Ų | 110 | 70 Ų | 70 | 51% | 0.514 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.2 | -35 | -179.4 | -54.1 | 84.4 | 173.1 | 0 | 0 | 112.5 | T81 F87 F106 | T81-E83 WeakPolarHBondContact CB-OE2 3.43Å; T81-E83 PolarHBondContact O-N 3.2Å; T81-E83 PolarHBondContact OG1-OE2 3.38Å; E83-F87 WeakPolarHBondContact O-CB 3.24Å; E83-F87 PolarHBondContact O-N 3.31Å; E83-F106 HydrophobicContact CB-CZ 4.18Å |
| 84 | Y | 98.2 | Very high | 97.1 | Very high | 62 Ų | 62 | 75 Ų | 75 | 24% | 0.243 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -71.5 | -43 | 178.3 | 175.7 | -123.5 | 0 | 0 | 0 | 111.2 | H80 T81 E82 F87 L88 F106 | H80-Y84 HydrophobicContact CB-CD1 4.03Å; H80-Y84 AromaticContact ND1-CD1 3.77Å; H80-Y84 AromaticContact ND1-CE1 3.73Å; T81-Y84 PolarHBondContact O-N 2.83Å; T81-Y84 VanDerWaalsContact O-N 3.12Å; T81-Y84 WeakPolarHBondContact OG1-CB 3.48Å; T81-Y84 PolarHBondContact OG1-N 2.69Å; E82-Y84 VanDerWaalsContact C-N 3.3Å; E82-Y84 PolarHBondContact O-N 3.45Å; Y84-F87 HydrophobicContact CD2-CD1 4.25Å; Y84-F87 HydrophobicContact CE2-CD1 4.42Å; Y84-F87 WeakPolarHBondContact O-CB 3.14Å; Y84-F87 PolarHBondContact O-N 3.41Å; Y84-L88 HydrophobicContact CD1-CD1 4.33Å; Y84-L88 HydrophobicContact CD2-CG 4.28Å; Y84-L88 HydrophobicContact CE1-CD1 3.7Å; Y84-L88 HydrophobicContact CE1-CG 4.4Å; Y84-L88 HydrophobicContact CE2-CD1 3.99Å; Y84-L88 HydrophobicContact CE2-CD2 4.01Å; Y84-L88 HydrophobicContact CE2-CG 3.84Å; Y84-L88 PolarHBondContact O-N 2.97Å; Y84-F106 HydrophobicContact CD2-CB 3.86Å; Y84-F106 AromaticContact CD2-CD1 3.52Å; Y84-F106 HydrophobicContact CD2-CD1 3.52Å; Y84-F106 HydrophobicContact CD2-CD2 4.32Å; Y84-F106 HydrophobicContact CD2-CE1 4.08Å; Y84-F106 AromaticContact CD2-CG 3.66Å; Y84-F106 HydrophobicContact CD2-CG 3.66Å; Y84-F106 HydrophobicContact CE2-CB 3.94Å; Y84-F106 HydrophobicContact CE2-CD1 4.37Å; Y84-F106 HydrophobicContact CE2-CG 4.27Å; Y84-F106 HydrophobicContact CG-CD1 4.18Å; Y84-F106 HydrophobicContact CG-CE1 4.37Å |
| 85 | V | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66 | -43.3 | 178.6 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | T73 I76 K77 H80 T81 E82 F87 L88 E89 F119 | T73-V85 HydrophobicContact CG2-CG1 3.57Å; I76-V85 HydrophobicContact CB-CG1 4.38Å; I76-V85 HydrophobicContact CB-CG2 4.47Å; I76-V85 HydrophobicContact CG2-CG1 4.2Å; I76-V85 HydrophobicContact CG2-CG2 3.79Å; K77-V85 HydrophobicContact CG-CB 3.91Å; K77-V85 HydrophobicContact CG-CG1 4.1Å; K77-V85 HydrophobicContact CG-CG2 3.81Å; H80-V85 HydrophobicContact CB-CG2 3.6Å; T81-V85 PolarHBondContact O-N 3.13Å; T81-V85 VanDerWaalsContact O-N 3.14Å; E82-V85 PolarHBondContact O-N 3.21Å; V85-F87 VanDerWaalsContact C-N 3.28Å; V85-F87 PolarHBondContact O-N 3.25Å; V85-L88 PolarHBondContact O-N 3.23Å; V85-E89 WeakPolarHBondContact O-CB 3.36Å; V85-E89 PolarHBondContact O-N 3.28Å; V85-F119 HydrophobicContact CG1-CE2 4.05Å; V85-F119 HydrophobicContact CG1-CZ 4.14Å |
| 86 | M | 97.3 | Very high | 97.2 | Very high | 101 Ų | 101 | 72.3 Ų | 72.3 | 50% | 0.498 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.7 | -35.7 | 174.9 | -70.5 | -177.7 | 71 | 0 | 0 | 112.2 | E82 S90 | E82-M86 HydrophobicContact CG-CG 4.24Å; E82-M86 HydrophobicContact CG-SD 3.78Å; E82-M86 WeakPolarHBondContact O-CB 3.44Å; E82-M86 VanDerWaalsContact O-CG 3.3Å; E82-M86 WeakPolarHBondContact O-CG 3.36Å; E82-M86 PolarHBondContact O-N 3.22Å; M86-S90 WeakPolarHBondContact O-CB 3.38Å; M86-S90 PolarHBondContact O-N 3.35Å; M86-S90 VanDerWaalsContact O-N 3.08Å; M86-S90 PolarHBondContact O-OG 3.08Å |
| 87 | F | 98 | Very high | 97.2 | Very high | 3 Ų | 3 | 75.6 Ų | 75.6 | 1% | 0.013 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.6 | -49.9 | 172.1 | 164 | -102.9 | 0 | 0 | 0 | 111.4 | E83 Y84 V85 E89 S90 I91 L99 Q102 M103 F106 V108 | E83-F87 WeakPolarHBondContact O-CB 3.24Å; E83-F87 PolarHBondContact O-N 3.31Å; Y84-F87 HydrophobicContact CD2-CD1 4.25Å; Y84-F87 HydrophobicContact CE2-CD1 4.42Å; Y84-F87 WeakPolarHBondContact O-CB 3.14Å; Y84-F87 PolarHBondContact O-N 3.41Å; V85-F87 VanDerWaalsContact C-N 3.28Å; V85-F87 PolarHBondContact O-N 3.25Å; F87-E89 VanDerWaalsContact C-N 3.29Å; F87-E89 PolarHBondContact O-N 3.43Å; F87-S90 PolarHBondContact O-N 3.34Å; F87-S90 PolarHBondContact O-OG 2.97Å; F87-S90 VanDerWaalsContact O-OG 3.06Å; F87-I91 HydrophobicContact CD2-CB 4.3Å; F87-I91 HydrophobicContact CE1-CG2 4.38Å; F87-I91 HydrophobicContact CE2-CB 3.9Å; F87-I91 HydrophobicContact CE2-CD1 3.94Å; F87-I91 HydrophobicContact CE2-CG1 3.97Å; F87-I91 HydrophobicContact CE2-CG2 4.49Å; F87-I91 HydrophobicContact CZ-CB 4.08Å; F87-I91 HydrophobicContact CZ-CD1 4.3Å; F87-I91 HydrophobicContact CZ-CG1 3.97Å; F87-I91 HydrophobicContact CZ-CG2 4.26Å; F87-I91 WeakPolarHBondContact O-CB 3.38Å; F87-I91 VanDerWaalsContact O-CG2 3.29Å; F87-I91 WeakPolarHBondContact O-CG2 3.47Å; F87-I91 PolarHBondContact O-N 3.44Å; F87-L99 HydrophobicContact CE2-CB 4.38Å; F87-Q102 HydrophobicContact CD2-CB 3.68Å; F87-Q102 HydrophobicContact CE2-CB 3.8Å; F87-M103 HydrophobicContact CE2-CG 4.07Å; F87-M103 HydrophobicContact CZ-CG 3.88Å; F87-F106 HydrophobicContact CB-CD2 3.78Å; F87-F106 HydrophobicContact CB-CE2 3.56Å; F87-F106 HydrophobicContact CB-CZ 4.46Å; F87-F106 HydrophobicContact CD1-CB 4.02Å; F87-F106 AromaticContact CD1-CD2 3.4Å; F87-F106 HydrophobicContact CD1-CD2 3.4Å; F87-F106 HydrophobicContact CD1-CE2 4.11Å; F87-F106 AromaticContact CD1-CG 3.98Å; F87-F106 HydrophobicContact CD1-CG 3.98Å; F87-F106 HydrophobicContact CD2-CD2 4.01Å; F87-F106 HydrophobicContact CD2-CE2 4.34Å; F87-F106 HydrophobicContact CE1-CB 3.92Å; F87-F106 AromaticContact CE1-CD2 3.94Å; F87-F106 HydrophobicContact CE1-CD2 3.94Å; F87-F106 HydrophobicContact CE1-CG 4.34Å; F87-F106 HydrophobicContact CE2-CD2 4.47Å; F87-F106 AromaticContact CG-CD2 3.43Å; F87-F106 HydrophobicContact CG-CD2 3.43Å; F87-F106 VanDerWaalsContact CG-CD2 3.43Å; F87-F106 AromaticContact CG-CE2 3.74Å; F87-F106 HydrophobicContact CG-CE2 3.74Å; F87-F106 HydrophobicContact CG-CG 4.42Å; F87-F106 HydrophobicContact CZ-CD2 4.44Å; F87-V108 HydrophobicContact CE1-CB 3.94Å; F87-V108 HydrophobicContact CE1-CG1 4.32Å; F87-V108 HydrophobicContact CE1-CG2 3.76Å; F87-V108 HydrophobicContact CZ-CB 4.03Å; F87-V108 HydrophobicContact CZ-CG1 4.25Å; F87-V108 HydrophobicContact CZ-CG2 4.38Å |
| 88 | L | 98 | Very high | 97.2 | Very high | 14 Ų | 14 | 79.7 Ų | 79.7 | 7% | 0.073 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.3 | -35.3 | 179 | -70.9 | -178 | 0 | 0 | 0 | 113.1 | Y84 V85 S90 V108 L118 F119 | Y84-L88 HydrophobicContact CD1-CD1 4.33Å; Y84-L88 HydrophobicContact CD2-CG 4.28Å; Y84-L88 HydrophobicContact CE1-CD1 3.7Å; Y84-L88 HydrophobicContact CE1-CG 4.4Å; Y84-L88 HydrophobicContact CE2-CD1 3.99Å; Y84-L88 HydrophobicContact CE2-CD2 4.01Å; Y84-L88 HydrophobicContact CE2-CG 3.84Å; Y84-L88 PolarHBondContact O-N 2.97Å; V85-L88 PolarHBondContact O-N 3.23Å; L88-S90 VanDerWaalsContact C-N 3.34Å; L88-V108 HydrophobicContact CD2-CG2 4.48Å; L88-L118 HydrophobicContact CD2-CD2 4.15Å; L88-F119 HydrophobicContact CB-CD2 3.86Å; L88-F119 HydrophobicContact CB-CE2 4.27Å |
| 89 | E | 97.1 | Very high | 97.2 | Very high | 93 Ų | 93 | 73.4 Ų | 73.4 | 44% | 0.435 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -70.8 | -30.4 | 177.5 | -173.7 | 171 | -148.5 | 0 | 0 | 112.5 | T73 V85 F87 F119 | T73-E89 PolarHBondContact OG1-OE1 3.3Å; V85-E89 WeakPolarHBondContact O-CB 3.36Å; V85-E89 PolarHBondContact O-N 3.28Å; F87-E89 VanDerWaalsContact C-N 3.29Å; F87-E89 PolarHBondContact O-N 3.43Å; E89-F119 HydrophobicContact CB-CD1 4.12Å; E89-F119 HydrophobicContact CB-CD2 4.25Å; E89-F119 HydrophobicContact CB-CE1 4Å; E89-F119 HydrophobicContact CB-CE2 4.15Å; E89-F119 HydrophobicContact CB-CG 4.23Å; E89-F119 HydrophobicContact CB-CZ 4.02Å; E89-F119 HydrophobicContact CG-CD1 4.01Å; E89-F119 HydrophobicContact CG-CE1 3.85Å; E89-F119 HydrophobicContact CG-CZ 4.3Å |
| 90 | S | 96.9 | Very high | 97.1 | Very high | 51 Ų | 51 | 69 Ų | 69 | 36% | 0.357 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -93.8 | -32 | -177.8 | 58.7 | 0 | 0 | 0 | 0 | 114.6 | M86 F87 L88 K92 N95 | M86-S90 WeakPolarHBondContact O-CB 3.38Å; M86-S90 PolarHBondContact O-N 3.35Å; M86-S90 VanDerWaalsContact O-N 3.08Å; M86-S90 PolarHBondContact O-OG 3.08Å; F87-S90 PolarHBondContact O-N 3.34Å; F87-S90 PolarHBondContact O-OG 2.97Å; F87-S90 VanDerWaalsContact O-OG 3.06Å; L88-S90 VanDerWaalsContact C-N 3.34Å; S90-K92 PolarHBondContact O-N 2.98Å; S90-N95 PolarHBondContact O-ND2 3.01Å |
| 91 | I | 97.7 | Very high | 97 | Very high | 7 Ų | 7 | 74 Ų | 74 | 4% | 0.036 | 39% | 0.385 | C | S | . | . | trans | -66.3 | 131.3 | -176.4 | -170.1 | 65.6 | 0 | 0 | 0 | 110.9 | F87 M96 L99 M103 V114 L118 | F87-I91 HydrophobicContact CD2-CB 4.3Å; F87-I91 HydrophobicContact CE1-CG2 4.38Å; F87-I91 HydrophobicContact CE2-CB 3.9Å; F87-I91 HydrophobicContact CE2-CD1 3.94Å; F87-I91 HydrophobicContact CE2-CG1 3.97Å; F87-I91 HydrophobicContact CE2-CG2 4.49Å; F87-I91 HydrophobicContact CZ-CB 4.08Å; F87-I91 HydrophobicContact CZ-CD1 4.3Å; F87-I91 HydrophobicContact CZ-CG1 3.97Å; F87-I91 HydrophobicContact CZ-CG2 4.26Å; F87-I91 WeakPolarHBondContact O-CB 3.38Å; F87-I91 VanDerWaalsContact O-CG2 3.29Å; F87-I91 WeakPolarHBondContact O-CG2 3.47Å; F87-I91 PolarHBondContact O-N 3.44Å; I91-M96 HydrophobicContact CD1-CG 4.31Å; I91-L99 HydrophobicContact CB-CD1 4.31Å; I91-L99 HydrophobicContact CD1-CB 3.83Å; I91-L99 HydrophobicContact CD1-CD1 3.66Å; I91-L99 HydrophobicContact CD1-CG 4.3Å; I91-M103 HydrophobicContact CD1-CG 4.15Å; I91-M103 HydrophobicContact CD1-SD 4.13Å; I91-V114 HydrophobicContact CD1-CG2 4.26Å; I91-V114 HydrophobicContact CG1-CB 4.44Å; I91-V114 HydrophobicContact CG1-CG1 3.87Å; I91-V114 HydrophobicContact CG1-CG2 3.63Å; I91-L118 HydrophobicContact CG2-CD2 4.01Å | ||
| 92 | K | 96.8 | Very high | 96.9 | Very high | 116 Ų | 116 | 74 Ų | 74 | 50% | 0.504 | 38% | 0.38 | S | S | . | . | trans | -145.4 | 160.6 | 179.5 | -71.9 | -177.7 | -173.1 | -172.2 | 0 | 108.8 | S90 D94 N95 M96 | S90-K92 PolarHBondContact O-N 2.98Å; K92-D94 WeakPolarHBondContact CB-OD1 3.34Å; K92-D94 PolarHBondContact O-N 3.48Å; K92-D94 VanDerWaalsContact O-N 3.13Å; K92-N95 PolarHBondContact N-OD1 2.86Å; K92-N95 PolarHBondContact O-N 2.96Å; K92-N95 PolarHBondContact O-OD1 3.28Å; K92-M96 WeakPolarHBondContact O-CG 3.43Å; K92-M96 PolarHBondContact O-N 3.46Å | ||
| 93 | P | 96.5 | Very high | 96.9 | Very high | 46 Ų | 46 | 70 Ų | 70 | 30% | 0.299 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -27.1 | 179.4 | -29.4 | 38.7 | 0 | 0 | 0 | 114.5 | M96 V114 D116 | P93-M96 HydrophobicContact CB-CE 4.28Å; P93-M96 WeakPolarHBondContact O-CE 3.47Å; P93-V114 HydrophobicContact CG-CG1 4.24Å; P93-D116 WeakPolarHBondContact CD-OD1 3.49Å; P93-D116 WeakPolarHBondContact CG-OD1 3.49Å |
| 94 | D | 96.6 | Very high | 96.8 | Very high | 130 Ų | 130 | 71.5 Ų | 71.5 | 70% | 0.695 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -26.7 | -179.2 | 61 | -8.4 | 0 | 0 | 0 | 114.3 | K92 | K92-D94 WeakPolarHBondContact CB-OD1 3.34Å; K92-D94 PolarHBondContact O-N 3.48Å; K92-D94 VanDerWaalsContact O-N 3.13Å |
| 95 | N | 96.9 | Very high | 96.8 | Very high | 37 Ų | 37 | 77 Ų | 77 | 20% | 0.198 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 10.3 | -174.8 | 70.3 | 13 | 0 | 0 | 0 | 114.4 | S90 K92 A97 D98 L99 | S90-N95 PolarHBondContact O-ND2 3.01Å; K92-N95 PolarHBondContact N-OD1 2.86Å; K92-N95 PolarHBondContact O-N 2.96Å; K92-N95 PolarHBondContact O-OD1 3.28Å; N95-A97 PolarHBondContact O-N 3.37Å; N95-D98 PolarHBondContact O-N 3.33Å; N95-D98 VanDerWaalsContact O-N 3.1Å; N95-L99 PolarHBondContact O-N 3.01Å |
| 96 | M | 95.5 | Very high | 96.7 | Very high | 71 Ų | 71 | 78.7 Ų | 78.7 | 35% | 0.35 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -36.7 | -179.9 | -68 | -168.1 | -75.8 | 0 | 0 | 113.2 | I91 K92 P93 D98 L99 N100 M103 V114 | I91-M96 HydrophobicContact CD1-CG 4.31Å; K92-M96 WeakPolarHBondContact O-CG 3.43Å; K92-M96 PolarHBondContact O-N 3.46Å; P93-M96 HydrophobicContact CB-CE 4.28Å; P93-M96 WeakPolarHBondContact O-CE 3.47Å; M96-D98 VanDerWaalsContact C-N 3.32Å; M96-D98 PolarHBondContact O-N 3.09Å; M96-L99 PolarHBondContact O-N 3.06Å; M96-N100 PolarHBondContact O-N 2.81Å; M96-N100 VanDerWaalsContact O-N 3.15Å; M96-M103 HydrophobicContact CB-SD 3.9Å; M96-M103 HydrophobicContact CG-CE 4.48Å; M96-M103 HydrophobicContact CG-SD 4.19Å; M96-M103 HydrophobicContact SD-CE 4.28Å; M96-V114 HydrophobicContact CG-CB 4.19Å; M96-V114 HydrophobicContact CG-CG1 4.16Å; M96-V114 HydrophobicContact CG-CG2 4.18Å; M96-V114 HydrophobicContact SD-CB 3.65Å; M96-V114 HydrophobicContact SD-CG1 4.14Å; M96-V114 HydrophobicContact SD-CG2 3.93Å |
| 97 | A | 95.5 | Very high | 96.7 | Very high | 88 Ų | 88 | 79.8 Ų | 79.8 | 73% | 0.727 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -39.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N95 L99 | N95-A97 PolarHBondContact O-N 3.37Å; A97-L99 VanDerWaalsContact C-N 3.35Å |
| 98 | D | 96.9 | Very high | 96.6 | Very high | 141 Ų | 141 | 80.3 Ų | 80.3 | 75% | 0.754 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -29.1 | -179.1 | -61.3 | -34.7 | 0 | 0 | 0 | 111.8 | N95 M96 | N95-D98 PolarHBondContact O-N 3.33Å; N95-D98 VanDerWaalsContact O-N 3.1Å; M96-D98 VanDerWaalsContact C-N 3.32Å; M96-D98 PolarHBondContact O-N 3.09Å |
| 99 | L | 96.1 | Very high | 96.3 | Very high | 30 Ų | 30 | 81.1 Ų | 81.1 | 16% | 0.157 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 12.3 | -175.2 | -58.3 | -176.5 | 0 | 0 | 0 | 114.1 | F87 I91 N95 M96 A97 K101 Q102 M103 | F87-L99 HydrophobicContact CE2-CB 4.38Å; I91-L99 HydrophobicContact CB-CD1 4.31Å; I91-L99 HydrophobicContact CD1-CB 3.83Å; I91-L99 HydrophobicContact CD1-CD1 3.66Å; I91-L99 HydrophobicContact CD1-CG 4.3Å; N95-L99 PolarHBondContact O-N 3.01Å; M96-L99 PolarHBondContact O-N 3.06Å; A97-L99 VanDerWaalsContact C-N 3.35Å; L99-K101 VanDerWaalsContact C-N 3.28Å; L99-K101 PolarHBondContact O-N 3.19Å; L99-K101 VanDerWaalsContact O-N 3.14Å; L99-Q102 WeakPolarHBondContact O-CA 3.35Å; L99-Q102 WeakPolarHBondContact O-CB 3.49Å; L99-Q102 PolarHBondContact O-N 3.36Å; L99-M103 PolarHBondContact O-N 3.23Å |
| 100 | N | 94.8 | Very high | 95.9 | Very high | 85 Ų | 85 | 85.4 Ų | 85.4 | 46% | 0.455 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -52.9 | -39.8 | -176.2 | -174.9 | 31.4 | 0 | 0 | 0 | 113.9 | M96 Q102 M103 Q104 | M96-N100 PolarHBondContact O-N 2.81Å; M96-N100 VanDerWaalsContact O-N 3.15Å; N100-Q102 VanDerWaalsContact C-N 3.33Å; N100-Q102 PolarHBondContact O-N 3.28Å; N100-M103 WeakPolarHBondContact O-CB 3.35Å; N100-M103 PolarHBondContact O-N 2.92Å; N100-Q104 WeakPolarHBondContact O-CG 3.33Å; N100-Q104 PolarHBondContact O-N 3.14Å |
| 101 | K | 96.1 | Very high | 95.7 | Very high | 183 Ų | 183 | 89.3 Ų | 89.3 | 80% | 0.796 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.8 | -37.6 | 176.4 | -70.1 | -176.7 | -179.5 | 177 | 0 | 112.6 | L99 R105 | L99-K101 VanDerWaalsContact C-N 3.28Å; L99-K101 PolarHBondContact O-N 3.19Å; L99-K101 VanDerWaalsContact O-N 3.14Å; K101-R105 WeakPolarHBondContact O-CB 3.2Å; K101-R105 PolarHBondContact O-N 3.41Å; K101-R105 VanDerWaalsContact O-N 3.15Å |
| 102 | Q | 96.7 | Very high | 95.6 | Very high | 79 Ų | 79 | 92.2 Ų | 92.2 | 37% | 0.369 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -75.3 | -38.9 | 178.5 | -64.8 | 178.5 | -7.1 | 0 | 0 | 110.8 | F87 L99 N100 Q104 R105 F106 | F87-Q102 HydrophobicContact CD2-CB 3.68Å; F87-Q102 HydrophobicContact CE2-CB 3.8Å; L99-Q102 WeakPolarHBondContact O-CA 3.35Å; L99-Q102 WeakPolarHBondContact O-CB 3.49Å; L99-Q102 PolarHBondContact O-N 3.36Å; N100-Q102 VanDerWaalsContact C-N 3.33Å; N100-Q102 PolarHBondContact O-N 3.28Å; Q102-Q104 VanDerWaalsContact C-N 3.33Å; Q102-Q104 PolarHBondContact O-N 3.27Å; Q102-R105 WeakPolarHBondContact O-CB 3.39Å; Q102-R105 PolarHBondContact O-N 3.41Å; Q102-R105 VanDerWaalsContact O-N 3.11Å; Q102-F106 HydrophobicContact CB-CD2 4.09Å; Q102-F106 HydrophobicContact CB-CE2 4.16Å; Q102-F106 WeakPolarHBondContact O-CB 3.43Å; Q102-F106 WeakPolarHBondContact O-CD2 3.42Å; Q102-F106 PolarHBondContact O-N 3.14Å |
| 103 | M | 97.3 | Very high | 95.7 | Very high | 22 Ų | 22 | 87.6 Ų | 87.6 | 11% | 0.108 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -53.7 | -48.1 | 172.2 | -75.6 | -180 | 69 | 0 | 0 | 111.8 | F87 I91 M96 L99 N100 F106 N107 V108 V114 | F87-M103 HydrophobicContact CE2-CG 4.07Å; F87-M103 HydrophobicContact CZ-CG 3.88Å; I91-M103 HydrophobicContact CD1-CG 4.15Å; I91-M103 HydrophobicContact CD1-SD 4.13Å; M96-M103 HydrophobicContact CB-SD 3.9Å; M96-M103 HydrophobicContact CG-CE 4.48Å; M96-M103 HydrophobicContact CG-SD 4.19Å; M96-M103 HydrophobicContact SD-CE 4.28Å; L99-M103 PolarHBondContact O-N 3.23Å; N100-M103 WeakPolarHBondContact O-CB 3.35Å; N100-M103 PolarHBondContact O-N 2.92Å; M103-F106 PolarHBondContact O-N 3.29Å; M103-N107 WeakPolarHBondContact O-CA 3.49Å; M103-N107 PolarHBondContact O-N 3.25Å; M103-V108 VanDerWaalsContact CB-O 3.27Å; M103-V108 WeakPolarHBondContact CB-O 3.48Å; M103-V108 WeakPolarHBondContact CE-O 3.21Å; M103-V108 PolarHBondContact O-N 2.83Å; M103-V114 HydrophobicContact CE-CG2 3.97Å |
| 104 | Q | 96.2 | Very high | 95.7 | Very high | 143 Ų | 143 | 86.3 Ų | 86.3 | 67% | 0.668 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.5 | -44.2 | 174.2 | -69.9 | 177.4 | 2.6 | 0 | 0 | 112.3 | N100 Q102 F106 N107 | N100-Q104 WeakPolarHBondContact O-CG 3.33Å; N100-Q104 PolarHBondContact O-N 3.14Å; Q102-Q104 VanDerWaalsContact C-N 3.33Å; Q102-Q104 PolarHBondContact O-N 3.27Å; Q104-F106 VanDerWaalsContact C-N 3.34Å; Q104-F106 PolarHBondContact O-N 3.12Å; Q104-N107 PolarHBondContact O-N 3.46Å |
| 105 | R | 97.2 | Very high | 95.7 | Very high | 178 Ų | 178 | 80.7 Ų | 80.7 | 67% | 0.672 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.3 | -39.2 | 179.4 | 179.4 | 179.4 | 174.7 | -175.3 | -3.9 | 112.8 | K101 Q102 | K101-R105 WeakPolarHBondContact O-CB 3.2Å; K101-R105 PolarHBondContact O-N 3.41Å; K101-R105 VanDerWaalsContact O-N 3.15Å; Q102-R105 WeakPolarHBondContact O-CB 3.39Å; Q102-R105 PolarHBondContact O-N 3.41Å; Q102-R105 VanDerWaalsContact O-N 3.11Å |
| 106 | F | 97.5 | Very high | 95.7 | Very high | 34 Ų | 34 | 85 Ų | 85 | 15% | 0.149 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -99.8 | 6 | -175 | -62.5 | -55.2 | 0 | 0 | 0 | 113.7 | E83 Y84 F87 Q102 M103 Q104 V108 | E83-F106 HydrophobicContact CB-CZ 4.18Å; Y84-F106 HydrophobicContact CD2-CB 3.86Å; Y84-F106 AromaticContact CD2-CD1 3.52Å; Y84-F106 HydrophobicContact CD2-CD1 3.52Å; Y84-F106 HydrophobicContact CD2-CD2 4.32Å; Y84-F106 HydrophobicContact CD2-CE1 4.08Å; Y84-F106 AromaticContact CD2-CG 3.66Å; Y84-F106 HydrophobicContact CD2-CG 3.66Å; Y84-F106 HydrophobicContact CE2-CB 3.94Å; Y84-F106 HydrophobicContact CE2-CD1 4.37Å; Y84-F106 HydrophobicContact CE2-CG 4.27Å; Y84-F106 HydrophobicContact CG-CD1 4.18Å; Y84-F106 HydrophobicContact CG-CE1 4.37Å; F87-F106 HydrophobicContact CB-CD2 3.78Å; F87-F106 HydrophobicContact CB-CE2 3.56Å; F87-F106 HydrophobicContact CB-CZ 4.46Å; F87-F106 HydrophobicContact CD1-CB 4.02Å; F87-F106 AromaticContact CD1-CD2 3.4Å; F87-F106 HydrophobicContact CD1-CD2 3.4Å; F87-F106 HydrophobicContact CD1-CE2 4.11Å; F87-F106 AromaticContact CD1-CG 3.98Å; F87-F106 HydrophobicContact CD1-CG 3.98Å; F87-F106 HydrophobicContact CD2-CD2 4.01Å; F87-F106 HydrophobicContact CD2-CE2 4.34Å; F87-F106 HydrophobicContact CE1-CB 3.92Å; F87-F106 AromaticContact CE1-CD2 3.94Å; F87-F106 HydrophobicContact CE1-CD2 3.94Å; F87-F106 HydrophobicContact CE1-CG 4.34Å; F87-F106 HydrophobicContact CE2-CD2 4.47Å; F87-F106 AromaticContact CG-CD2 3.43Å; F87-F106 HydrophobicContact CG-CD2 3.43Å; F87-F106 VanDerWaalsContact CG-CD2 3.43Å; F87-F106 AromaticContact CG-CE2 3.74Å; F87-F106 HydrophobicContact CG-CE2 3.74Å; F87-F106 HydrophobicContact CG-CG 4.42Å; F87-F106 HydrophobicContact CZ-CD2 4.44Å; Q102-F106 HydrophobicContact CB-CD2 4.09Å; Q102-F106 HydrophobicContact CB-CE2 4.16Å; Q102-F106 WeakPolarHBondContact O-CB 3.43Å; Q102-F106 WeakPolarHBondContact O-CD2 3.42Å; Q102-F106 PolarHBondContact O-N 3.14Å; M103-F106 PolarHBondContact O-N 3.29Å; Q104-F106 VanDerWaalsContact C-N 3.34Å; Q104-F106 PolarHBondContact O-N 3.12Å; F106-V108 PolarHBondContact O-N 3.44Å |
| 107 | N | 96.5 | Very high | 95.8 | Very high | 125 Ų | 125 | 82.9 Ų | 82.9 | 67% | 0.668 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 44.8 | 179.5 | -163.1 | 52.1 | 0 | 0 | 0 | 113.7 | M103 Q104 | M103-N107 WeakPolarHBondContact O-CA 3.49Å; M103-N107 PolarHBondContact O-N 3.25Å; Q104-N107 PolarHBondContact O-N 3.46Å |
| 108 | V | 95.9 | Very high | 95.9 | Very high | 14 Ų | 14 | 79.5 Ų | 79.5 | 9% | 0.085 | 41% | 0.408 | C | S | . | . | trans | -112.7 | 123.6 | 176.3 | 173.8 | 0 | 0 | 0 | 0 | 108.6 | F87 L88 M103 F106 C112 V114 | F87-V108 HydrophobicContact CE1-CB 3.94Å; F87-V108 HydrophobicContact CE1-CG1 4.32Å; F87-V108 HydrophobicContact CE1-CG2 3.76Å; F87-V108 HydrophobicContact CZ-CB 4.03Å; F87-V108 HydrophobicContact CZ-CG1 4.25Å; F87-V108 HydrophobicContact CZ-CG2 4.38Å; L88-V108 HydrophobicContact CD2-CG2 4.48Å; M103-V108 VanDerWaalsContact CB-O 3.27Å; M103-V108 WeakPolarHBondContact CB-O 3.48Å; M103-V108 WeakPolarHBondContact CE-O 3.21Å; M103-V108 PolarHBondContact O-N 2.83Å; F106-V108 PolarHBondContact O-N 3.44Å; V108-C112 CarbonylContact C-O 3.57Å; V108-C112 WeakPolarHBondContact CA-O 3.2Å; V108-C112 WeakPolarHBondContact CG1-O 3.03Å; V108-V114 HydrophobicContact CG1-CG2 3.53Å | ||
| 109 | G | 92 | Very high | 96 | Very high | 30 Ų | 30 | 73.9 Ų | 73.9 | 31% | 0.309 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 160.3 | -93.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | C112 P113 | G109-C112 PolarHBondContact N-O 3.26Å; G109-P113 WeakPolarHBondContact O-CA 3.47Å |
| 110 | E | 88.9 | Confident | 96.1 | Very high | 183 Ų | 183 | 75.3 Ų | 75.3 | 86% | 0.855 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -73 | -70.8 | -171.3 | -62.3 | -177 | 171.1 | 0 | 0 | 112.7 | C112 | E110-C112 VanDerWaalsContact C-N 3.33Š|
| 111 | D | 93.3 | Very high | 96.2 | Very high | 134 Ų | 134 | 72.4 Ų | 72.4 | 72% | 0.717 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -76.5 | -22.6 | -179.2 | -74.4 | -10.5 | 0 | 0 | 0 | 113.1 | H40 P113 | H40-D111 PolarHBondContact NE2-O 2.94Å; H40-D111 VanDerWaalsContact NE2-O 3.08Å; D111-P113 WeakPolarHBondContact O-CD 3.37Å |
| 112 | C | 95.4 | Very high | 96.3 | Very high | 67 Ų | 67 | 65.5 Ų | 65.5 | 45% | 0.453 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -123.9 | 75.4 | -179.5 | -68.7 | 0 | 0 | 0 | 0 | 108.8 | V108 G109 E110 | V108-C112 CarbonylContact C-O 3.57Å; V108-C112 WeakPolarHBondContact CA-O 3.2Å; V108-C112 WeakPolarHBondContact CG1-O 3.03Å; G109-C112 PolarHBondContact N-O 3.26Å; E110-C112 VanDerWaalsContact C-N 3.33Å |
| 113 | P | 97.1 | Very high | 96.4 | Very high | 20 Ų | 20 | 63.1 Ų | 63.1 | 13% | 0.13 | 33% | 0.331 | C | S | . | . | trans | -69 | 150.6 | -170.5 | 27.3 | -34.9 | 0 | 0 | 0 | 113 | Y36 G109 D111 F115 | Y36-P113 HydrophobicContact CD1-CG 4.01Å; Y36-P113 WeakPolarHBondContact O-CG 3.45Å; G109-P113 WeakPolarHBondContact O-CA 3.47Å; D111-P113 WeakPolarHBondContact O-CD 3.37Å; P113-F115 WeakPolarHBondContact O-CD1 3.23Å | ||
| 114 | V | 97.5 | Very high | 96.4 | Very high | 19 Ų | 19 | 62.5 Ų | 62.5 | 12% | 0.115 | 33% | 0.328 | C | S | . | . | trans | -76.4 | 130.5 | 164.1 | -177.1 | 0 | 0 | 0 | 0 | 107.9 | I91 P93 M96 M103 V108 | I91-V114 HydrophobicContact CD1-CG2 4.26Å; I91-V114 HydrophobicContact CG1-CB 4.44Å; I91-V114 HydrophobicContact CG1-CG1 3.87Å; I91-V114 HydrophobicContact CG1-CG2 3.63Å; P93-V114 HydrophobicContact CG-CG1 4.24Å; M96-V114 HydrophobicContact CG-CB 4.19Å; M96-V114 HydrophobicContact CG-CG1 4.16Å; M96-V114 HydrophobicContact CG-CG2 4.18Å; M96-V114 HydrophobicContact SD-CB 3.65Å; M96-V114 HydrophobicContact SD-CG1 4.14Å; M96-V114 HydrophobicContact SD-CG2 3.93Å; M103-V114 HydrophobicContact CE-CG2 3.97Å; V108-V114 HydrophobicContact CG1-CG2 3.53Å | ||
| 115 | F | 97.2 | Very high | 96.4 | Very high | 12 Ų | 12 | 58.9 Ų | 58.9 | 5% | 0.053 | 32% | 0.318 | C | S | . | . | trans | -143.7 | 163.3 | 176.1 | 58.7 | -96.7 | 0 | 0 | 0 | 110.8 | Y34 Y35 Y36 P113 G117 L118 F121 | Y34-F115 HydrophobicContact CD1-CE2 4.29Å; Y35-F115 VanDerWaalsContact O-CB 3.23Å; Y35-F115 WeakPolarHBondContact O-CB 3.35Å; Y35-F115 WeakPolarHBondContact O-CG 3.32Å; Y36-F115 HydrophobicContact CD1-CE1 4.1Å; Y36-F115 HydrophobicContact CD2-CD1 4.35Å; Y36-F115 AromaticContact CD2-CE1 3.77Å; Y36-F115 HydrophobicContact CD2-CE1 3.77Å; Y36-F115 HydrophobicContact CD2-CZ 4.02Å; Y36-F115 HydrophobicContact CE1-CE1 4.09Å; Y36-F115 AromaticContact CE2-CE1 3.72Å; Y36-F115 HydrophobicContact CE2-CE1 3.72Å; Y36-F115 AromaticContact CE2-CZ 3.72Å; Y36-F115 HydrophobicContact CE2-CZ 3.72Å; Y36-F115 HydrophobicContact CG-CD1 4.27Å; Y36-F115 AromaticContact CG-CE1 3.96Å; Y36-F115 HydrophobicContact CG-CE1 3.96Å; Y36-F115 AromaticContact CZ-CE1 3.89Å; P113-F115 WeakPolarHBondContact O-CD1 3.23Å; F115-G117 PolarHBondContact O-N 3.4Å; F115-L118 HydrophobicContact CD1-CD1 4.17Å; F115-L118 HydrophobicContact CD2-CB 4.32Å; F115-L118 HydrophobicContact CE1-CB 4.48Å; F115-L118 HydrophobicContact CE1-CD1 3.44Å; F115-L118 VanDerWaalsContact CE1-CD1 3.44Å; F115-L118 HydrophobicContact CE2-CB 4.15Å; F115-L118 HydrophobicContact CE2-CD1 4.26Å; F115-L118 HydrophobicContact CZ-CB 4.22Å; F115-L118 HydrophobicContact CZ-CD1 3.49Å; F115-L118 VanDerWaalsContact CZ-CD1 3.49Å; F115-L118 HydrophobicContact CZ-CG 4.47Å; F115-L118 WeakPolarHBondContact O-CB 3.4Å; F115-L118 PolarHBondContact O-N 3.31Å; F115-L118 VanDerWaalsContact O-N 3.13Å; F115-F121 HydrophobicContact CE2-CB 4.2Å; F115-F121 HydrophobicContact CZ-CB 4.32Å; F115-F121 HydrophobicContact CZ-CD1 4.16Å; F115-F121 HydrophobicContact CZ-CG 4.33Å | ||
| 116 | D | 97 | Very high | 96.4 | Very high | 126 Ų | 126 | 51.8 Ų | 51.8 | 67% | 0.674 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 123.9 | 179.7 | -67.8 | -40.7 | 0 | 0 | 0 | 111.5 | P93 | P93-D116 WeakPolarHBondContact CD-OD1 3.49Å; P93-D116 WeakPolarHBondContact CG-OD1 3.49Å |
| 117 | G | 97.4 | Very high | 96.3 | Very high | 27 Ų | 27 | 50.2 Ų | 50.2 | 28% | 0.278 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 23.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y34 F115 F119 D120 F121 | Y34-G117 WeakPolarHBondContact CD1-O 3.2Å; Y34-G117 WeakPolarHBondContact CE1-O 3.45Å; F115-G117 PolarHBondContact O-N 3.4Å; G117-F119 VanDerWaalsContact C-N 3.32Å; G117-F119 PolarHBondContact O-N 2.93Å; G117-D120 WeakPolarHBondContact O-CB 3.43Å; G117-D120 PolarHBondContact O-N 3.21Å; G117-F121 PolarHBondContact O-N 3.05Å |
| 118 | L | 97.8 | Very high | 96.2 | Very high | 18 Ų | 18 | 45.2 Ų | 45.2 | 9% | 0.094 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -48 | -52.2 | 174.3 | 173 | 64.7 | 0 | 0 | 0 | 112.3 | L88 I91 F115 F121 C122 | L88-L118 HydrophobicContact CD2-CD2 4.15Å; I91-L118 HydrophobicContact CG2-CD2 4.01Å; F115-L118 HydrophobicContact CD1-CD1 4.17Å; F115-L118 HydrophobicContact CD2-CB 4.32Å; F115-L118 HydrophobicContact CE1-CB 4.48Å; F115-L118 HydrophobicContact CE1-CD1 3.44Å; F115-L118 VanDerWaalsContact CE1-CD1 3.44Å; F115-L118 HydrophobicContact CE2-CB 4.15Å; F115-L118 HydrophobicContact CE2-CD1 4.26Å; F115-L118 HydrophobicContact CZ-CB 4.22Å; F115-L118 HydrophobicContact CZ-CD1 3.49Å; F115-L118 VanDerWaalsContact CZ-CD1 3.49Å; F115-L118 HydrophobicContact CZ-CG 4.47Å; F115-L118 WeakPolarHBondContact O-CB 3.4Å; F115-L118 PolarHBondContact O-N 3.31Å; F115-L118 VanDerWaalsContact O-N 3.13Å; L118-F121 WeakPolarHBondContact O-CB 3.32Å; L118-F121 PolarHBondContact O-N 3.41Å; L118-C122 PolarHBondContact O-N 2.77Å; L118-C122 PolarHBondContact O-SG 2.92Å; L118-C122 VanDerWaalsContact O-SG 3.37Å |
| 119 | F | 98 | Very high | 96.1 | Very high | 22 Ų | 22 | 48.7 Ų | 48.7 | 10% | 0.096 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.5 | -41.3 | -179.4 | -165 | -117.2 | 0 | 0 | 0 | 112 | I76 V85 L88 E89 G117 F121 C122 Q123 | I76-F119 HydrophobicContact CD1-CE2 4.13Å; I76-F119 HydrophobicContact CD1-CZ 4.08Å; V85-F119 HydrophobicContact CG1-CE2 4.05Å; V85-F119 HydrophobicContact CG1-CZ 4.14Å; L88-F119 HydrophobicContact CB-CD2 3.86Å; L88-F119 HydrophobicContact CB-CE2 4.27Å; E89-F119 HydrophobicContact CB-CD1 4.12Å; E89-F119 HydrophobicContact CB-CD2 4.25Å; E89-F119 HydrophobicContact CB-CE1 4Å; E89-F119 HydrophobicContact CB-CE2 4.15Å; E89-F119 HydrophobicContact CB-CG 4.23Å; E89-F119 HydrophobicContact CB-CZ 4.02Å; E89-F119 HydrophobicContact CG-CD1 4.01Å; E89-F119 HydrophobicContact CG-CE1 3.85Å; E89-F119 HydrophobicContact CG-CZ 4.3Å; G117-F119 VanDerWaalsContact C-N 3.32Å; G117-F119 PolarHBondContact O-N 2.93Å; F119-F121 VanDerWaalsContact C-N 3.28Å; F119-F121 PolarHBondContact O-N 3.15Å; F119-C122 WeakPolarHBondContact O-CA 3.41Å; F119-C122 WeakPolarHBondContact O-CB 3.35Å; F119-C122 PolarHBondContact O-N 3.28Å; F119-C122 VanDerWaalsContact O-N 3.09Å; F119-Q123 HydrophobicContact CD1-CG 4.06Å; F119-Q123 HydrophobicContact CE1-CG 3.93Å; F119-Q123 HydrophobicContact CZ-CG 4.34Å; F119-Q123 WeakPolarHBondContact O-CG 3.44Å; F119-Q123 PolarHBondContact O-N 3.3Å |
| 120 | D | 97.9 | Very high | 96.1 | Very high | 61 Ų | 61 | 50.1 Ų | 50.1 | 33% | 0.326 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.8 | -40.8 | 175.8 | -63 | -59.4 | 0 | 0 | 0 | 111.9 | Y34 R70 G117 Q123 I124 | Y34-D120 HydrophobicContact CE1-CB 3.95Å; Y34-D120 WeakPolarHBondContact OH-CB 3.36Å; R70-D120 IonicContact CZ-OD1 2.99Å; R70-D120 IonicContact NH1-OD1 2.77Å; R70-D120 PolarHBondContact NH1-OD1 3.11Å; G117-D120 WeakPolarHBondContact O-CB 3.43Å; G117-D120 PolarHBondContact O-N 3.21Å; D120-Q123 PolarHBondContact O-N 3.34Å; D120-I124 WeakPolarHBondContact O-CG1 3.44Å; D120-I124 PolarHBondContact O-N 3.01Å |
| 121 | F | 98.1 | Very high | 95.6 | Very high | 23 Ų | 23 | 42.1 Ų | 42.1 | 10% | 0.101 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.2 | -45 | 174.8 | 175.4 | -100.4 | 0 | 0 | 0 | 111.4 | V31 Y34 Y36 P44 F115 G117 L118 F119 Q123 I124 S125 | V31-F121 HydrophobicContact CG2-CD2 4.29Å; V31-F121 HydrophobicContact CG2-CE2 3.98Å; Y34-F121 HydrophobicContact CD1-CB 3.89Å; Y34-F121 HydrophobicContact CD2-CB 4.07Å; Y34-F121 AromaticContact CD2-CD2 3.69Å; Y34-F121 HydrophobicContact CD2-CD2 3.69Å; Y34-F121 HydrophobicContact CD2-CG 4.35Å; Y34-F121 HydrophobicContact CE1-CB 4.15Å; Y34-F121 HydrophobicContact CE2-CB 4.33Å; Y34-F121 HydrophobicContact CE2-CD2 4.41Å; Y34-F121 HydrophobicContact CG-CB 3.83Å; Y34-F121 AromaticContact CG-CD2 3.88Å; Y34-F121 HydrophobicContact CG-CD2 3.88Å; Y34-F121 HydrophobicContact CG-CG 4.24Å; Y36-F121 HydrophobicContact CE2-CD1 4.5Å; Y36-F121 HydrophobicContact CE2-CE1 4.11Å; Y36-F121 HydrophobicContact CE2-CZ 4.3Å; Y36-F121 VanDerWaalsContact OH-CE1 3.24Å; Y36-F121 WeakPolarHBondContact OH-CE1 3.27Å; P44-F121 HydrophobicContact CB-CE2 3.92Å; P44-F121 HydrophobicContact CG-CE2 3.9Å; P44-F121 HydrophobicContact CG-CZ 4.25Å; F115-F121 HydrophobicContact CE2-CB 4.2Å; F115-F121 HydrophobicContact CZ-CB 4.32Å; F115-F121 HydrophobicContact CZ-CD1 4.16Å; F115-F121 HydrophobicContact CZ-CG 4.33Å; G117-F121 PolarHBondContact O-N 3.05Å; L118-F121 WeakPolarHBondContact O-CB 3.32Å; L118-F121 PolarHBondContact O-N 3.41Å; F119-F121 VanDerWaalsContact C-N 3.28Å; F119-F121 PolarHBondContact O-N 3.15Å; F121-Q123 VanDerWaalsContact C-N 3.34Å; F121-Q123 PolarHBondContact O-N 3.35Å; F121-I124 PolarHBondContact O-N 3.13Å; F121-S125 WeakPolarHBondContact O-CB 3.3Å; F121-S125 PolarHBondContact O-N 2.79Å; F121-S125 VanDerWaalsContact O-N 3.07Å |
| 122 | C | 97.9 | Very high | 94 | Very high | 38 Ų | 38 | 43 Ų | 43 | 26% | 0.257 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 174.2 | -67.3 | 0 | 0 | 0 | 0 | 111.5 | L118 F119 I124 S125 A126 | L118-C122 PolarHBondContact O-N 2.77Å; L118-C122 PolarHBondContact O-SG 2.92Å; L118-C122 VanDerWaalsContact O-SG 3.37Å; F119-C122 WeakPolarHBondContact O-CA 3.41Å; F119-C122 WeakPolarHBondContact O-CB 3.35Å; F119-C122 PolarHBondContact O-N 3.28Å; F119-C122 VanDerWaalsContact O-N 3.09Å; C122-I124 PolarHBondContact O-N 2.73Å; C122-S125 PolarHBondContact O-N 3.08Å; C122-A126 VanDerWaalsContact O-CB 3.28Å; C122-A126 WeakPolarHBondContact O-CB 3.45Å; C122-A126 PolarHBondContact O-N 3.14Å |
| 123 | Q | 97.8 | Very high | 91.9 | Very high | 30 Ų | 30 | 47.6 Ų | 47.6 | 14% | 0.14 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.1 | -40.5 | 180 | -69.4 | -174.2 | -56.9 | 0 | 0 | 112.8 | R70 A71 I76 F119 D120 F121 G127 | R70-Q123 HydrophobicContact CB-CB 4.03Å; R70-Q123 HydrophobicContact CG-CB 4.39Å; A71-Q123 PolarHBondContact N-O 3.37Å; A71-Q123 WeakPolarHBondContact O-CG 3.46Å; A71-Q123 PolarHBondContact O-NE2 2.85Å; I76-Q123 HydrophobicContact CD1-CG 4.23Å; F119-Q123 HydrophobicContact CD1-CG 4.06Å; F119-Q123 HydrophobicContact CE1-CG 3.93Å; F119-Q123 HydrophobicContact CZ-CG 4.34Å; F119-Q123 WeakPolarHBondContact O-CG 3.44Å; F119-Q123 PolarHBondContact O-N 3.3Å; D120-Q123 PolarHBondContact O-N 3.34Å; F121-Q123 VanDerWaalsContact C-N 3.34Å; F121-Q123 PolarHBondContact O-N 3.35Å; Q123-G127 WeakPolarHBondContact O-CA 3.35Å; Q123-G127 PolarHBondContact O-N 3.39Å |
| 124 | I | 97 | Very high | 89.8 | Confident | 8 Ų | 8 | 49.8 Ų | 49.8 | 4% | 0.041 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.4 | -47.6 | 175.6 | -70.2 | 167.3 | 0 | 0 | 0 | 110.4 | D28 D30 V31 Y34 R70 D120 F121 C122 G127 G128 | D28-I124 HydrophobicContact CB-CD1 4.34Å; D28-I124 HydrophobicContact CB-CG1 4.4Å; D28-I124 HydrophobicContact CB-CG2 3.65Å; D30-I124 HydrophobicContact CB-CD1 4.3Å; V31-I124 HydrophobicContact CB-CG2 4.16Å; V31-I124 HydrophobicContact CG2-CG2 4.06Å; Y34-I124 HydrophobicContact CE2-CD1 3.73Å; R70-I124 HydrophobicContact CG-CG1 4.15Å; D120-I124 WeakPolarHBondContact O-CG1 3.44Å; D120-I124 PolarHBondContact O-N 3.01Å; F121-I124 PolarHBondContact O-N 3.13Å; C122-I124 PolarHBondContact O-N 2.73Å; I124-G127 PolarHBondContact O-N 3.43Å; I124-G128 PolarHBondContact O-N 2.9Å |
| 125 | S | 96.9 | Very high | 87.7 | Confident | 67 Ų | 67 | 53.3 Ų | 53.3 | 47% | 0.469 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.1 | -46.7 | -177.5 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | F121 C122 S129 | F121-S125 WeakPolarHBondContact O-CB 3.3Å; F121-S125 PolarHBondContact O-N 2.79Å; F121-S125 VanDerWaalsContact O-N 3.07Å; C122-S125 PolarHBondContact O-N 3.08Å; S125-S129 PolarHBondContact O-OG 3.15Å |
| 126 | A | 96.9 | Very high | 85.5 | Confident | 29 Ų | 29 | 56.9 Ų | 56.9 | 24% | 0.24 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | A71 I76 C122 G128 S129 L130 | A71-A126 HydrophobicContact CB-CB 3.72Å; I76-A126 HydrophobicContact CG1-CB 4.47Å; C122-A126 VanDerWaalsContact O-CB 3.28Å; C122-A126 WeakPolarHBondContact O-CB 3.45Å; C122-A126 PolarHBondContact O-N 3.14Å; A126-G128 PolarHBondContact O-N 2.84Å; A126-S129 WeakPolarHBondContact O-CA 3.47Å; A126-S129 WeakPolarHBondContact O-CB 3.47Å; A126-S129 PolarHBondContact O-N 3.06Å; A126-L130 WeakPolarHBondContact O-CB 3.33Å; A126-L130 WeakPolarHBondContact O-CG 3.29Å; A126-L130 PolarHBondContact O-N 3.31Å |
| 127 | G | 95.7 | Very high | 83 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -54 | -50 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | M69 Q123 I124 S129 L130 D131 | M69-G127 CarbonylContact O-C 3.59Å; M69-G127 WeakPolarHBondContact O-CA 3.33Å; Q123-G127 WeakPolarHBondContact O-CA 3.35Å; Q123-G127 PolarHBondContact O-N 3.39Å; I124-G127 PolarHBondContact O-N 3.43Å; G127-S129 PolarHBondContact O-N 3.17Å; G127-L130 PolarHBondContact O-N 3.43Å; G127-D131 VanDerWaalsContact O-CB 3.29Å; G127-D131 WeakPolarHBondContact O-CB 3.46Å; G127-D131 PolarHBondContact O-N 2.91Å |
| 128 | G | 94.1 | Very high | 80.6 | Confident | 19 Ų | 19 | 62.9 Ų | 62.9 | 20% | 0.196 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.5 | -22.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | I124 A126 | I124-G128 PolarHBondContact O-N 2.9Å; A126-G128 PolarHBondContact O-N 2.84Å |
| 129 | S | 94.6 | Very high | 77.7 | Confident | 87 Ų | 87 | 67.4 Ų | 67.4 | 61% | 0.608 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -85.5 | -37.5 | 176.1 | -55.4 | 0 | 0 | 0 | 0 | 112 | S125 A126 G127 | S125-S129 PolarHBondContact O-OG 3.15Å; A126-S129 WeakPolarHBondContact O-CA 3.47Å; A126-S129 WeakPolarHBondContact O-CB 3.47Å; A126-S129 PolarHBondContact O-N 3.06Å; G127-S129 PolarHBondContact O-N 3.17Å |
| 130 | L | 92.4 | Very high | 76.6 | Confident | 61 Ų | 61 | 69.7 Ų | 69.7 | 32% | 0.319 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -80 | -32 | -178 | -70.3 | 172.4 | 0 | 0 | 0 | 113.3 | A71 D75 A126 G127 R132 Y133 | A71-L130 HydrophobicContact CB-CD1 3.93Å; D75-L130 HydrophobicContact CB-CD1 3.83Å; A126-L130 WeakPolarHBondContact O-CB 3.33Å; A126-L130 WeakPolarHBondContact O-CG 3.29Å; A126-L130 PolarHBondContact O-N 3.31Å; G127-L130 PolarHBondContact O-N 3.43Å; L130-R132 PolarHBondContact O-N 2.87Å; L130-Y133 WeakPolarHBondContact O-CB 2.95Å; L130-Y133 WeakPolarHBondContact O-CD2 3.32Å; L130-Y133 PolarHBondContact O-N 2.86Å |
| 131 | D | 78.6 | Confident | 75.5 | Confident | 15 Ų | 15 | 70.1 Ų | 70.1 | 8% | 0.08 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -10.4 | -176.5 | -157.2 | 13.2 | 0 | 0 | 0 | 113 | Y26 G127 Y133 T134 | Y26-D131 HydrophobicContact CD1-CB 4.45Å; Y26-D131 HydrophobicContact CE1-CB 3.82Å; Y26-D131 WeakPolarHBondContact CE1-OD2 3.47Å; G127-D131 VanDerWaalsContact O-CB 3.29Å; G127-D131 WeakPolarHBondContact O-CB 3.46Å; G127-D131 PolarHBondContact O-N 2.91Å; D131-Y133 PolarHBondContact O-N 3.13Å; D131-T134 PolarHBondContact O-N 3.44Å; D131-T134 PolarHBondContact O-OG1 2.9Å; D131-T134 PolarHBondContact OD1-OG1 3.23Å |
| 132 | R | 59.4 | Low | 74.3 | Confident | 151 Ų | 151 | 72.7 Ų | 72.7 | 57% | 0.57 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -60.8 | -22.2 | 166.1 | -91.9 | -174 | 173 | -119.5 | -0.7 | 113.7 | L130 T136 | L130-R132 PolarHBondContact O-N 2.87Å; R132-T136 WeakPolarHBondContact O-CG2 3.37Å; R132-T136 PolarHBondContact O-N 3.46Å; R132-T136 PolarHBondContact O-OG1 3.24Å |
| 133 | Y | 51.1 | Low | 72.9 | Confident | 164 Ų | 164 | 74.8 Ų | 74.8 | 64% | 0.643 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -72.7 | -27.1 | -178.5 | -87.1 | -83.8 | 0 | 0 | 0 | 113.9 | L130 D131 N137 | L130-Y133 WeakPolarHBondContact O-CB 2.95Å; L130-Y133 WeakPolarHBondContact O-CD2 3.32Å; L130-Y133 PolarHBondContact O-N 2.86Å; D131-Y133 PolarHBondContact O-N 3.13Å; Y133-N137 PolarHBondContact O-ND2 3.1Å |
| 134 | T | 53.3 | Low | 71.3 | Confident | 67 Ų | 67 | 77.6 Ų | 77.6 | 41% | 0.411 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -80.7 | -39.9 | -177.6 | 52.2 | 0 | 0 | 0 | 0 | 111.5 | D131 H138 | D131-T134 PolarHBondContact O-N 3.44Å; D131-T134 PolarHBondContact O-OG1 2.9Å; D131-T134 PolarHBondContact OD1-OG1 3.23Å; T134-H138 PolarHBondContact O-CD2 3.19Å; T134-H138 VanDerWaalsContact O-CD2 3.22Å |
| 135 | F | 53.3 | Low | 69.6 | Low | 93 Ų | 93 | 82.2 Ų | 82.2 | 41% | 0.408 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -87.6 | -23.5 | -174.5 | -63.4 | -74.9 | 0 | 0 | 0 | 115.2 | Y66 | Y66-F135 HydrophobicContact CE1-CZ 4.41Å |
| 136 | T | 50.2 | Low | 67.7 | Low | 86 Ų | 86 | 83.3 Ų | 83.3 | 53% | 0.528 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -83.7 | -18.2 | 179.8 | 54.4 | 0 | 0 | 0 | 0 | 113.5 | R132 | R132-T136 WeakPolarHBondContact O-CG2 3.37Å; R132-T136 PolarHBondContact O-N 3.46Å; R132-T136 PolarHBondContact O-OG1 3.24Å |
| 137 | N | 44.9 | Very low | 65.4 | Low | 110 Ų | 110 | 87.5 Ų | 87.5 | 59% | 0.588 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -95.9 | -3.9 | 178.2 | -69.5 | -47.2 | 0 | 0 | 0 | 113.7 | Y133 | Y133-N137 PolarHBondContact O-ND2 3.1Š|
| 138 | H | 45.8 | Very low | 62.9 | Low | 169 Ų | 169 | 94.6 Ų | 94.6 | 78% | 0.782 | 51% | 0.506 | S | S | * | . | trans | -125.7 | 20.8 | -177.1 | -66 | -49 | 0 | 0 | 0 | 114.1 | T134 | T134-H138 PolarHBondContact O-CD2 3.19Å; T134-H138 VanDerWaalsContact O-CD2 3.22Å | ||
| 139 | A | 37.2 | Very low | 60.1 | Low | 113 Ų | 113 | 101.5 Ų | 101.5 | 93% | 0.934 | 53% | 0.534 | S | S | * | . | trans | -134.3 | 0 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 |
Retrieved 139 of 139 residues in 38.6 ms
(Link to these results)