| 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 | 81.7 | Confident | 95.6 | Very high | 171 Ų | 171 | 70.8 Ų | 70.8 | 84% | 0.842 | 35% | 0.35 | S | S | * | . | 0 | 153.8 | 0 | 64.9 | -172.5 | -69.4 | 0 | 0 | 108.8 | D3 Q37 L116 | M1-D3 PolarHBondContact O-N 3.49Å; M1-Q37 HydrophobicContact CB-CG 4.38Å; M1-L116 VanDerWaalsContact CA-O 3.28Å; M1-L116 WeakPolarHBondContact CA-O 3.15Å; M1-L116 PolarHBondContact N-O 3.44Å | |||
| 2 | A | 91.4 | Very high | 95.8 | Very high | 3 Ų | 3 | 71.1 Ų | 71.1 | 3% | 0.025 | 35% | 0.354 | C | S | . | . | trans | -67.1 | 121 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | F6 K7 V114 L116 | A2-F6 HydrophobicContact CB-CD1 3.62Å; A2-F6 HydrophobicContact CB-CE1 4.22Å; A2-F6 HydrophobicContact CB-CG 4.3Å; A2-K7 HydrophobicContact CB-CG 4.06Å; A2-K7 WeakPolarHBondContact O-CE 3.43Å; A2-V114 HydrophobicContact CB-CG1 4.35Å; A2-L116 HydrophobicContact CB-CB 3.94Å | ||
| 3 | D | 94.9 | Very high | 96 | Very high | 98 Ų | 98 | 66.7 Ų | 66.7 | 52% | 0.524 | 34% | 0.335 | S | S | . | . | trans | -82.3 | 178.3 | 172.2 | 68.9 | 24.6 | 0 | 0 | 0 | 111.4 | M1 V5 F6 K7 | M1-D3 PolarHBondContact O-N 3.49Å; D3-V5 VanDerWaalsContact C-N 3.3Å; D3-V5 PolarHBondContact O-N 3.05Å; D3-V5 PolarHBondContact OD1-N 3.3Å; D3-F6 PolarHBondContact O-N 3.17Å; D3-F6 WeakPolarHBondContact OD1-CB 3.4Å; D3-F6 PolarHBondContact OD1-N 3.33Å; D3-K7 WeakPolarHBondContact O-CB 3.26Å; D3-K7 VanDerWaalsContact O-CG 3.27Å; D3-K7 WeakPolarHBondContact O-CG 3.44Å; D3-K7 PolarHBondContact O-N 2.6Å | ||
| 4 | E | 96.1 | Very high | 96.2 | Very high | 135 Ų | 135 | 61.9 Ų | 61.9 | 63% | 0.631 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -67.1 | -29.4 | -176.6 | -64.8 | -56.2 | 124.5 | 0 | 0 | 113.2 | K7 K8 | E4-K7 IonicContact OE1-NZ 2.83Å; E4-K7 PolarHBondContact OE1-NZ 3.23Å; E4-K8 VanDerWaalsContact O-CB 3.26Å; E4-K8 WeakPolarHBondContact O-CB 3.41Å; E4-K8 PolarHBondContact O-N 3.3Å |
| 5 | V | 97.1 | Very high | 96.4 | Very high | 91 Ų | 91 | 59 Ų | 59 | 55% | 0.552 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -69 | -50.9 | 176.3 | 176.7 | 0 | 0 | 0 | 0 | 109.2 | D3 K7 K8 E9 | D3-V5 VanDerWaalsContact C-N 3.3Å; D3-V5 PolarHBondContact O-N 3.05Å; D3-V5 PolarHBondContact OD1-N 3.3Å; V5-K7 PolarHBondContact O-N 3.3Å; V5-K8 PolarHBondContact O-N 3.49Å; V5-K8 VanDerWaalsContact O-N 3.15Å; V5-E9 WeakPolarHBondContact O-CG 3.25Å; V5-E9 PolarHBondContact O-N 3.31Å |
| 6 | F | 97.9 | Very high | 96.6 | Very high | 7 Ų | 7 | 58.8 Ų | 58.8 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.6 | -48 | 177.4 | -174.5 | -81.9 | 0 | 0 | 0 | 111.7 | A2 D3 K8 E9 F10 P71 E72 G73 V114 L116 V125 | A2-F6 HydrophobicContact CB-CD1 3.62Å; A2-F6 HydrophobicContact CB-CE1 4.22Å; A2-F6 HydrophobicContact CB-CG 4.3Å; D3-F6 PolarHBondContact O-N 3.17Å; D3-F6 WeakPolarHBondContact OD1-CB 3.4Å; D3-F6 PolarHBondContact OD1-N 3.33Å; F6-K8 VanDerWaalsContact C-N 3.3Å; F6-K8 PolarHBondContact O-N 3.37Å; F6-E9 PolarHBondContact O-N 3.1Å; F6-F10 HydrophobicContact CE1-CB 4.47Å; F6-F10 HydrophobicContact CE1-CD2 4.24Å; F6-F10 VanDerWaalsContact O-CB 3.28Å; F6-F10 WeakPolarHBondContact O-CB 3.46Å; F6-F10 PolarHBondContact O-N 3.41Å; F6-P71 WeakPolarHBondContact CD2-O 3.12Å; F6-P71 HydrophobicContact CE2-CB 4.24Å; F6-E72 VanDerWaalsContact CE2-C 3.44Å; F6-G73 VanDerWaalsContact CE2-CA 3.45Å; F6-V114 HydrophobicContact CE1-CG2 3.83Å; F6-L116 HydrophobicContact CD2-CD2 3.82Å; F6-L116 HydrophobicContact CE1-CB 4.24Å; F6-L116 HydrophobicContact CE2-CD1 4.23Å; F6-L116 HydrophobicContact CE2-CD2 3.84Å; F6-L116 HydrophobicContact CE2-CG 4.47Å; F6-L116 HydrophobicContact CG-CD2 4.16Å; F6-L116 HydrophobicContact CZ-CB 4.28Å; F6-L116 HydrophobicContact CZ-CD1 4.23Å; F6-L116 HydrophobicContact CZ-CD2 4.21Å; F6-L116 HydrophobicContact CZ-CG 4.46Å; F6-V125 HydrophobicContact CE1-CG1 4.19Å; F6-V125 HydrophobicContact CE2-CG2 4.49Å; F6-V125 HydrophobicContact CZ-CG1 3.89Å; F6-V125 HydrophobicContact CZ-CG2 3.78Å |
| 7 | K | 98.1 | Very high | 96.7 | Very high | 43 Ų | 43 | 58.4 Ų | 58.4 | 19% | 0.187 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 177.7 | -74.3 | 175.2 | -168.6 | 166.3 | 0 | 111.5 | A2 D3 E4 V5 F10 L11 Y28 V114 | A2-K7 HydrophobicContact CB-CG 4.06Å; A2-K7 WeakPolarHBondContact O-CE 3.43Å; D3-K7 WeakPolarHBondContact O-CB 3.26Å; D3-K7 VanDerWaalsContact O-CG 3.27Å; D3-K7 WeakPolarHBondContact O-CG 3.44Å; D3-K7 PolarHBondContact O-N 2.6Å; E4-K7 IonicContact OE1-NZ 2.83Å; E4-K7 PolarHBondContact OE1-NZ 3.23Å; V5-K7 PolarHBondContact O-N 3.3Å; K7-F10 PolarHBondContact O-N 3.23Å; K7-L11 WeakPolarHBondContact O-CB 2.99Å; K7-L11 PolarHBondContact O-N 2.84Å; K7-Y28 WeakPolarHBondContact CA-OH 3.47Å; K7-Y28 HydrophobicContact CB-CE2 3.87Å; K7-Y28 WeakPolarHBondContact O-CE2 3.26Å; K7-Y28 PolarHBondContact O-OH 3.39Å; K7-V114 HydrophobicContact CG-CG1 3.84Å |
| 8 | K | 98.1 | Very high | 96.8 | Very high | 128 Ų | 128 | 55.2 Ų | 55.2 | 56% | 0.557 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.7 | -49.1 | 178.8 | -174.7 | -179.1 | -177.8 | -58.2 | 0 | 111 | E4 V5 F6 F10 L11 D12 | E4-K8 VanDerWaalsContact O-CB 3.26Å; E4-K8 WeakPolarHBondContact O-CB 3.41Å; E4-K8 PolarHBondContact O-N 3.3Å; V5-K8 PolarHBondContact O-N 3.49Å; V5-K8 VanDerWaalsContact O-N 3.15Å; F6-K8 VanDerWaalsContact C-N 3.3Å; F6-K8 PolarHBondContact O-N 3.37Å; K8-F10 VanDerWaalsContact C-N 3.33Å; K8-F10 PolarHBondContact O-N 3.42Å; K8-L11 PolarHBondContact O-N 2.93Å; K8-D12 IonicContact NZ-OD2 2.64Å; K8-D12 PolarHBondContact NZ-OD2 2.89Å; K8-D12 VanDerWaalsContact O-CB 3.28Å; K8-D12 WeakPolarHBondContact O-CB 3.4Å; K8-D12 VanDerWaalsContact O-CG 3.24Å; K8-D12 PolarHBondContact O-N 3.41Å |
| 9 | E | 98.3 | Very high | 96.9 | Very high | 72 Ų | 72 | 55.5 Ų | 55.5 | 34% | 0.336 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.5 | -44.2 | 177.1 | -70.9 | 173.5 | 171.4 | 0 | 0 | 112.3 | V5 F6 A13 G73 | V5-E9 WeakPolarHBondContact O-CG 3.25Å; V5-E9 PolarHBondContact O-N 3.31Å; F6-E9 PolarHBondContact O-N 3.1Å; E9-A13 VanDerWaalsContact O-CB 3.25Å; E9-A13 WeakPolarHBondContact O-CB 3.48Å; E9-A13 PolarHBondContact O-N 3.05Å; E9-G73 PolarHBondContact OE2-N 2.77Å |
| 10 | F | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 178.8 | -172.3 | -90.3 | 0 | 0 | 0 | 111.4 | F6 K7 K8 H14 Y28 G73 A76 V77 W80 L112 V114 V125 | F6-F10 HydrophobicContact CE1-CB 4.47Å; F6-F10 HydrophobicContact CE1-CD2 4.24Å; F6-F10 VanDerWaalsContact O-CB 3.28Å; F6-F10 WeakPolarHBondContact O-CB 3.46Å; F6-F10 PolarHBondContact O-N 3.41Å; K7-F10 PolarHBondContact O-N 3.23Å; K8-F10 VanDerWaalsContact C-N 3.33Å; K8-F10 PolarHBondContact O-N 3.42Å; F10-H14 AromaticContact CD1-CE1 3.55Å; F10-H14 AromaticContact CD1-ND1 3.6Å; F10-H14 AromaticContact CE1-CE1 3.15Å; F10-H14 WeakPolarHBondContact CE1-CE1 3.23Å; F10-H14 AromaticContact CE1-ND1 3.68Å; F10-H14 AromaticContact CE2-CE1 3.89Å; F10-H14 AromaticContact CZ-CE1 3.36Å; F10-H14 WeakPolarHBondContact CZ-CE1 3.47Å; F10-H14 PolarHBondContact O-N 2.81Å; F10-H14 VanDerWaalsContact O-N 3.13Å; F10-H14 PolarHBondContact O-ND1 3.04Å; F10-Y28 WeakPolarHBondContact CD1-OH 3.47Å; F10-G73 VanDerWaalsContact CD2-O 3.27Å; F10-G73 WeakPolarHBondContact CD2-O 3.5Å; F10-A76 HydrophobicContact CE2-CB 4.4Å; F10-V77 HydrophobicContact CD2-CG2 3.53Å; F10-V77 HydrophobicContact CE2-CG2 3.77Å; F10-V77 HydrophobicContact CG-CG2 3.95Å; F10-V77 HydrophobicContact CZ-CG2 4.41Å; F10-W80 AromaticContact CE2-CH2 3.77Å; F10-W80 HydrophobicContact CE2-CH2 3.77Å; F10-W80 AromaticContact CE2-CZ3 3.58Å; F10-W80 HydrophobicContact CE2-CZ3 3.58Å; F10-W80 AromaticContact CZ-CH2 3.78Å; F10-W80 HydrophobicContact CZ-CH2 3.78Å; F10-W80 AromaticContact CZ-CZ3 3.49Å; F10-W80 HydrophobicContact CZ-CZ3 3.49Å; F10-W80 VanDerWaalsContact CZ-CZ3 3.49Å; F10-L112 HydrophobicContact CD1-CD2 3.82Å; F10-L112 HydrophobicContact CE1-CD1 4.04Å; F10-L112 HydrophobicContact CE1-CD2 3.72Å; F10-L112 HydrophobicContact CE1-CG 4.05Å; F10-V114 HydrophobicContact CD1-CB 3.86Å; F10-V114 HydrophobicContact CD1-CG1 4.39Å; F10-V114 HydrophobicContact CD1-CG2 3.83Å; F10-V114 HydrophobicContact CD2-CG2 3.79Å; F10-V114 HydrophobicContact CE1-CB 3.67Å; F10-V114 HydrophobicContact CE1-CG2 3.65Å; F10-V114 HydrophobicContact CE2-CG2 3.67Å; F10-V114 HydrophobicContact CG-CB 4.35Å; F10-V114 HydrophobicContact CG-CG2 3.87Å; F10-V114 HydrophobicContact CZ-CB 4.05Å; F10-V114 HydrophobicContact CZ-CG2 3.56Å; F10-V125 HydrophobicContact CD2-CG1 4.22Å; F10-V125 HydrophobicContact CE2-CG1 3.66Å; F10-V125 HydrophobicContact CZ-CG1 4.48Å |
| 11 | L | 98.8 | Very high | 97 | Very high | 31 Ų | 31 | 53.7 Ų | 53.7 | 16% | 0.162 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.7 | -42.8 | 179.1 | -176.8 | 63.5 | 0 | 0 | 0 | 112.2 | K7 K8 A13 H14 N15 L26 Y28 L112 | K7-L11 WeakPolarHBondContact O-CB 2.99Å; K7-L11 PolarHBondContact O-N 2.84Å; K8-L11 PolarHBondContact O-N 2.93Å; L11-A13 VanDerWaalsContact C-N 3.33Å; L11-A13 PolarHBondContact O-N 3.16Å; L11-H14 PolarHBondContact O-N 3.25Å; L11-N15 WeakPolarHBondContact O-CB 3.25Å; L11-N15 PolarHBondContact O-N 2.83Å; L11-N15 PolarHBondContact O-ND2 3.3Å; L11-L26 HydrophobicContact CD1-CB 4.15Å; L11-Y28 HydrophobicContact CB-CD2 4.45Å; L11-Y28 HydrophobicContact CB-CE2 3.6Å; L11-Y28 HydrophobicContact CD1-CE2 4.46Å; L11-Y28 HydrophobicContact CD2-CD2 3.84Å; L11-Y28 HydrophobicContact CD2-CE2 3.82Å; L11-Y28 HydrophobicContact CG-CE2 4.16Å; L11-L112 HydrophobicContact CD1-CD2 3.86Å |
| 12 | D | 98.7 | Very high | 97.8 | Very high | 74 Ų | 74 | 47.8 Ų | 47.8 | 40% | 0.396 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 178.8 | -75 | -15.2 | 0 | 0 | 0 | 110.6 | K8 N15 A16 | K8-D12 IonicContact NZ-OD2 2.64Å; K8-D12 PolarHBondContact NZ-OD2 2.89Å; K8-D12 VanDerWaalsContact O-CB 3.28Å; K8-D12 WeakPolarHBondContact O-CB 3.4Å; K8-D12 VanDerWaalsContact O-CG 3.24Å; K8-D12 PolarHBondContact O-N 3.41Å; D12-N15 PolarHBondContact O-N 3.23Å; D12-A16 VanDerWaalsContact O-CB 3.27Å; D12-A16 WeakPolarHBondContact O-CB 3.33Å; D12-A16 PolarHBondContact O-N 3.32Å |
| 13 | A | 98.8 | Very high | 98.1 | Very high | 14 Ų | 14 | 48 Ų | 48 | 12% | 0.116 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E9 L11 N15 A16 Y17 V77 | E9-A13 VanDerWaalsContact O-CB 3.25Å; E9-A13 WeakPolarHBondContact O-CB 3.48Å; E9-A13 PolarHBondContact O-N 3.05Å; L11-A13 VanDerWaalsContact C-N 3.33Å; L11-A13 PolarHBondContact O-N 3.16Å; A13-N15 VanDerWaalsContact C-N 3.34Å; A13-N15 PolarHBondContact O-N 3.02Å; A13-A16 PolarHBondContact O-N 3.1Å; A13-Y17 WeakPolarHBondContact O-CD2 3.38Å; A13-Y17 PolarHBondContact O-N 2.82Å; A13-Y17 VanDerWaalsContact O-N 3.07Å; A13-V77 HydrophobicContact CB-CB 3.86Å; A13-V77 HydrophobicContact CB-CG1 3.98Å; A13-V77 HydrophobicContact CB-CG2 4.08Å |
| 14 | H | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.6 | -50.1 | 175.1 | -81.5 | 83.6 | 0 | 0 | 0 | 111.1 | F10 L11 A16 Y17 R18 L26 V77 L112 Y129 | F10-H14 AromaticContact CD1-CE1 3.55Å; F10-H14 AromaticContact CD1-ND1 3.6Å; F10-H14 AromaticContact CE1-CE1 3.15Å; F10-H14 WeakPolarHBondContact CE1-CE1 3.23Å; F10-H14 AromaticContact CE1-ND1 3.68Å; F10-H14 AromaticContact CE2-CE1 3.89Å; F10-H14 AromaticContact CZ-CE1 3.36Å; F10-H14 WeakPolarHBondContact CZ-CE1 3.47Å; F10-H14 PolarHBondContact O-N 2.81Å; F10-H14 VanDerWaalsContact O-N 3.13Å; F10-H14 PolarHBondContact O-ND1 3.04Å; L11-H14 PolarHBondContact O-N 3.25Å; H14-A16 VanDerWaalsContact C-N 3.33Å; H14-A16 PolarHBondContact O-N 2.58Å; H14-Y17 PolarHBondContact O-N 3.08Å; H14-R18 WeakPolarHBondContact O-CB 3.49Å; H14-R18 WeakPolarHBondContact O-CG 3.29Å; H14-R18 PolarHBondContact O-N 3.38Å; H14-L26 HydrophobicContact CB-CD1 4.34Å; H14-V77 WeakPolarHBondContact CE1-CG2 3.41Å; H14-V77 WeakPolarHBondContact ND1-CG2 3.29Å; H14-L112 HydrophobicContact CB-CD2 4.48Å; H14-Y129 AromaticContact CD2-CE1 3.92Å; H14-Y129 AromaticContact NE2-CE1 3.65Å; H14-Y129 AromaticContact NE2-CZ 3.68Å; H14-Y129 PolarHBondContact NE2-OH 3.24Å |
| 15 | N | 98.8 | Very high | 98.4 | Very high | 18 Ų | 18 | 48.2 Ų | 48.2 | 10% | 0.096 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.3 | -31.1 | -175.8 | -74.2 | -26.9 | 0 | 0 | 0 | 112.8 | L11 D12 A13 A19 K25 L26 | L11-N15 WeakPolarHBondContact O-CB 3.25Å; L11-N15 PolarHBondContact O-N 2.83Å; L11-N15 PolarHBondContact O-ND2 3.3Å; D12-N15 PolarHBondContact O-N 3.23Å; A13-N15 VanDerWaalsContact C-N 3.34Å; A13-N15 PolarHBondContact O-N 3.02Å; N15-A19 VanDerWaalsContact O-CB 3.3Å; N15-A19 WeakPolarHBondContact O-CB 3.34Å; N15-A19 PolarHBondContact O-N 3.17Å; N15-K25 HydrophobicContact CB-CG 4.2Å; N15-K25 VanDerWaalsContact OD1-CA 3.22Å; N15-K25 WeakPolarHBondContact OD1-CA 3.14Å; N15-L26 PolarHBondContact ND2-O 3.26Å; N15-L26 PolarHBondContact OD1-N 3Å |
| 16 | A | 98.7 | Very high | 98.5 | Very high | 55 Ų | 55 | 44 Ų | 44 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.4 | -43.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | D12 A13 H14 | D12-A16 VanDerWaalsContact O-CB 3.27Å; D12-A16 WeakPolarHBondContact O-CB 3.33Å; D12-A16 PolarHBondContact O-N 3.32Å; A13-A16 PolarHBondContact O-N 3.1Å; H14-A16 VanDerWaalsContact C-N 3.33Å; H14-A16 PolarHBondContact O-N 2.58Å |
| 17 | Y | 98.7 | Very high | 98.5 | Very high | 53 Ų | 53 | 48 Ų | 48 | 21% | 0.208 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.7 | -47.4 | 175 | -69.9 | -53.9 | 0 | 0 | 0 | 111.6 | A13 H14 A19 Q20 H21 V77 Y81 | A13-Y17 WeakPolarHBondContact O-CD2 3.38Å; A13-Y17 PolarHBondContact O-N 2.82Å; A13-Y17 VanDerWaalsContact O-N 3.07Å; H14-Y17 PolarHBondContact O-N 3.08Å; Y17-A19 VanDerWaalsContact C-N 3.25Å; Y17-A19 PolarHBondContact O-N 3.31Å; Y17-Q20 WeakPolarHBondContact O-CB 3.25Å; Y17-Q20 PolarHBondContact O-N 3.42Å; Y17-H21 PolarHBondContact O-CD2 2.83Å; Y17-H21 VanDerWaalsContact O-CD2 3.29Å; Y17-V77 HydrophobicContact CD2-CG1 3.91Å; Y17-V77 HydrophobicContact CE2-CG1 4.12Å; Y17-Y81 AromaticContact CD1-CD1 3.4Å; Y17-Y81 HydrophobicContact CD1-CD1 3.4Å; Y17-Y81 VanDerWaalsContact CD1-CD1 3.4Å; Y17-Y81 AromaticContact CD1-CD2 3.62Å; Y17-Y81 HydrophobicContact CD1-CD2 3.62Å; Y17-Y81 AromaticContact CD1-CE1 3.4Å; Y17-Y81 HydrophobicContact CD1-CE1 3.4Å; Y17-Y81 AromaticContact CD1-CE2 3.63Å; Y17-Y81 HydrophobicContact CD1-CE2 3.63Å; Y17-Y81 AromaticContact CD1-CG 3.49Å; Y17-Y81 HydrophobicContact CD1-CG 3.49Å; Y17-Y81 VanDerWaalsContact CD1-CG 3.49Å; Y17-Y81 AromaticContact CD1-CZ 3.5Å; Y17-Y81 HydrophobicContact CD2-CD1 4.44Å; Y17-Y81 HydrophobicContact CD2-CD2 4.05Å; Y17-Y81 AromaticContact CD2-CG 3.85Å; Y17-Y81 HydrophobicContact CD2-CG 3.85Å; Y17-Y81 AromaticContact CE1-CD1 3.23Å; Y17-Y81 HydrophobicContact CE1-CD1 3.23Å; Y17-Y81 HydrophobicContact CE1-CD2 4.27Å; Y17-Y81 AromaticContact CE1-CE1 3.47Å; Y17-Y81 HydrophobicContact CE1-CE1 3.47Å; Y17-Y81 VanDerWaalsContact CE1-CE1 3.47Å; Y17-Y81 HydrophobicContact CE1-CE2 4.47Å; Y17-Y81 AromaticContact CE1-CG 3.66Å; Y17-Y81 HydrophobicContact CE1-CG 3.66Å; Y17-Y81 HydrophobicContact CE2-CD1 4.3Å; Y17-Y81 AromaticContact CE2-CG 4Å; Y17-Y81 HydrophobicContact CE2-CG 4Å; Y17-Y81 HydrophobicContact CG-CD1 4.03Å; Y17-Y81 AromaticContact CG-CD2 3.49Å; Y17-Y81 HydrophobicContact CG-CD2 3.49Å; Y17-Y81 VanDerWaalsContact CG-CD2 3.49Å; Y17-Y81 HydrophobicContact CG-CE1 4.3Å; Y17-Y81 AromaticContact CG-CE2 3.81Å; Y17-Y81 HydrophobicContact CG-CE2 3.81Å; Y17-Y81 AromaticContact CG-CG 3.6Å; Y17-Y81 HydrophobicContact CG-CG 3.6Å; Y17-Y81 AromaticContact CZ-CD1 3.73Å; Y17-Y81 AromaticContact CZ-CG 3.9Å |
| 18 | R | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.5 | -38.2 | 178.4 | -73.2 | 174.3 | 69.8 | 84.2 | -1.8 | 113.1 | H14 Q20 H21 G22 A23 P24 V104 W106 T109 | H14-R18 WeakPolarHBondContact O-CB 3.49Å; H14-R18 WeakPolarHBondContact O-CG 3.29Å; H14-R18 PolarHBondContact O-N 3.38Å; R18-Q20 VanDerWaalsContact C-N 3.28Å; R18-Q20 PolarHBondContact O-N 2.97Å; R18-H21 CarbonylContact O-C 3.54Å; R18-H21 PolarHBondContact O-N 3.47Å; R18-G22 PolarHBondContact O-N 3.18Å; R18-A23 HydrophobicContact CB-CB 3.9Å; R18-A23 HydrophobicContact CG-CB 4.23Å; R18-A23 PolarHBondContact O-N 2.97Å; R18-P24 VanDerWaalsContact CZ-O 3.26Å; R18-P24 PolarHBondContact NE-O 3.23Å; R18-P24 PolarHBondContact NH2-O 3.11Å; R18-V104 WeakPolarHBondContact CD-O 3.25Å; R18-V104 WeakPolarHBondContact CG-O 3.46Å; R18-V104 PolarHBondContact NH1-O 2.86Å; R18-W106 PolarHBondContact NH1-O 3.13Å; R18-W106 PolarHBondContact NH2-O 3.42Å; R18-T109 PolarHBondContact NH2-O 3.44Å |
| 19 | A | 98.6 | Very high | 98.5 | Very high | 61 Ų | 61 | 43.8 Ų | 43.8 | 50% | 0.504 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60 | -36 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N15 Y17 H21 G22 | N15-A19 VanDerWaalsContact O-CB 3.3Å; N15-A19 WeakPolarHBondContact O-CB 3.34Å; N15-A19 PolarHBondContact O-N 3.17Å; Y17-A19 VanDerWaalsContact C-N 3.25Å; Y17-A19 PolarHBondContact O-N 3.31Å; A19-H21 PolarHBondContact O-N 2.96Å; A19-G22 PolarHBondContact O-N 3.49Å |
| 20 | Q | 98.4 | Very high | 98.5 | Very high | 68 Ų | 68 | 44.9 Ų | 44.9 | 32% | 0.318 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.3 | -21.1 | 175.9 | -61.8 | 172.1 | 42.8 | 0 | 0 | 112.5 | Y17 R18 Y81 K148 S149 | Y17-Q20 WeakPolarHBondContact O-CB 3.25Å; Y17-Q20 PolarHBondContact O-N 3.42Å; R18-Q20 VanDerWaalsContact C-N 3.28Å; R18-Q20 PolarHBondContact O-N 2.97Å; Q20-Y81 PolarHBondContact OE1-OH 2.86Å; Q20-K148 HydrophobicContact CB-CG 4.45Å; Q20-K148 CarbonylContact O-C 3.6Å; Q20-K148 VanDerWaalsContact O-CA 3.24Å; Q20-K148 WeakPolarHBondContact O-CA 3.42Å; Q20-K148 VanDerWaalsContact OE1-CE 3.28Å; Q20-S149 PolarHBondContact O-N 3.42Å; Q20-S149 PolarHBondContact O-OG 2.64Å |
| 21 | H | 98.2 | Very high | 98.5 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 2% | 0.023 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 12.5 | -176.7 | -67 | -90.3 | 0 | 0 | 0 | 112.7 | Y17 R18 A19 A23 Y81 F101 V105 L146 | Y17-H21 PolarHBondContact O-CD2 2.83Å; Y17-H21 VanDerWaalsContact O-CD2 3.29Å; R18-H21 CarbonylContact O-C 3.54Å; R18-H21 PolarHBondContact O-N 3.47Å; A19-H21 PolarHBondContact O-N 2.96Å; H21-A23 PolarHBondContact O-N 3.34Å; H21-A23 VanDerWaalsContact O-N 3.16Å; H21-Y81 AromaticContact CD2-CE2 3.93Å; H21-Y81 AromaticContact NE2-CE2 3.4Å; H21-Y81 WeakPolarHBondContact NE2-CE2 3.48Å; H21-Y81 AromaticContact NE2-CZ 3.52Å; H21-Y81 PolarHBondContact NE2-OH 3.34Å; H21-F101 AromaticContact CE1-CE2 3.87Å; H21-F101 AromaticContact CE1-CZ 3.97Å; H21-F101 AromaticContact NE2-CE2 3.95Å; H21-V105 HydrophobicContact CB-CB 4.27Å; H21-V105 HydrophobicContact CB-CG1 4.41Å; H21-L146 PolarHBondContact ND1-O 3.39Å; H21-L146 WeakPolarHBondContact O-CB 3.45Å |
| 22 | G | 97.4 | Very high | 98.4 | Very high | 47 Ų | 47 | 49.4 Ų | 49.4 | 49% | 0.485 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 21 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R18 A19 | R18-G22 PolarHBondContact O-N 3.18Å; A19-G22 PolarHBondContact O-N 3.49Å |
| 23 | A | 98.1 | Very high | 98.4 | Very high | 9 Ų | 9 | 47.1 Ų | 47.1 | 7% | 0.074 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -88.4 | 135.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | R18 H21 K107 | R18-A23 HydrophobicContact CB-CB 3.9Å; R18-A23 HydrophobicContact CG-CB 4.23Å; R18-A23 PolarHBondContact O-N 2.97Å; H21-A23 PolarHBondContact O-N 3.34Å; H21-A23 VanDerWaalsContact O-N 3.16Å; A23-K107 HydrophobicContact CB-CB 4.49Å |
| 24 | P | 98.4 | Very high | 98.4 | Very high | 74 Ų | 74 | 49.6 Ų | 49.6 | 48% | 0.481 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 154.5 | 177.2 | -23.7 | 33.6 | 0 | 0 | 0 | 112.8 | R18 | R18-P24 VanDerWaalsContact CZ-O 3.26Å; R18-P24 PolarHBondContact NE-O 3.23Å; R18-P24 PolarHBondContact NH2-O 3.11Å |
| 25 | K | 98.7 | Very high | 98.4 | Very high | 163 Ų | 163 | 51.6 Ų | 51.6 | 71% | 0.709 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 142.6 | 176.5 | -64.7 | -174.7 | -179.3 | -178.4 | 0 | 111.3 | N15 | N15-K25 HydrophobicContact CB-CG 4.2Å; N15-K25 VanDerWaalsContact OD1-CA 3.22Å; N15-K25 WeakPolarHBondContact OD1-CA 3.14Å |
| 26 | L | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 155.3 | 169.6 | -58.4 | 178.5 | 0 | 0 | 0 | 110.7 | L11 H14 N15 T109 T110 L112 Y129 | L11-L26 HydrophobicContact CD1-CB 4.15Å; H14-L26 HydrophobicContact CB-CD1 4.34Å; N15-L26 PolarHBondContact ND2-O 3.26Å; N15-L26 PolarHBondContact OD1-N 3Å; L26-T109 HydrophobicContact CD2-CG2 3.8Å; L26-T109 WeakPolarHBondContact CD2-O 3.36Å; L26-T110 WeakPolarHBondContact CA-O 3.31Å; L26-L112 HydrophobicContact CB-CB 4.2Å; L26-L112 HydrophobicContact CD1-CB 4.14Å; L26-L112 HydrophobicContact CD1-CD1 4.24Å; L26-L112 HydrophobicContact CD1-CD2 4.21Å; L26-L112 HydrophobicContact CD1-CG 4.45Å; L26-Y129 HydrophobicContact CD1-CD1 4.44Å; L26-Y129 HydrophobicContact CD1-CE1 4.45Å |
| 27 | T | 98.6 | Very high | 98.4 | Very high | 89 Ų | 89 | 50.1 Ų | 50.1 | 55% | 0.546 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 152.1 | 166.9 | 55.2 | 0 | 0 | 0 | 0 | 110.6 | T110 E111 L112 | T27-T110 PolarHBondContact N-O 3.32Å; T27-T110 VanDerWaalsContact N-O 3.09Å; T27-E111 CarbonylContact O-C 3.56Å; T27-E111 WeakPolarHBondContact O-CA 3.33Å; T27-L112 PolarHBondContact O-N 3.35Å |
| 28 | Y | 98.5 | Very high | 98.3 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 24% | 0.239 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 141.2 | 176.5 | -82.7 | -58.2 | 0 | 0 | 0 | 112 | K7 F10 L11 N33 L112 V114 | K7-Y28 WeakPolarHBondContact CA-OH 3.47Å; K7-Y28 HydrophobicContact CB-CE2 3.87Å; K7-Y28 WeakPolarHBondContact O-CE2 3.26Å; K7-Y28 PolarHBondContact O-OH 3.39Å; F10-Y28 WeakPolarHBondContact CD1-OH 3.47Å; L11-Y28 HydrophobicContact CB-CD2 4.45Å; L11-Y28 HydrophobicContact CB-CE2 3.6Å; L11-Y28 HydrophobicContact CD1-CE2 4.46Å; L11-Y28 HydrophobicContact CD2-CD2 3.84Å; L11-Y28 HydrophobicContact CD2-CE2 3.82Å; L11-Y28 HydrophobicContact CG-CE2 4.16Å; Y28-N33 WeakPolarHBondContact CD1-OD1 3.43Å; Y28-L112 CarbonylContact C-O 3.55Å; Y28-L112 VanDerWaalsContact CA-O 3.29Å; Y28-L112 WeakPolarHBondContact CA-O 3.37Å; Y28-L112 HydrophobicContact CD1-CB 4.33Å; Y28-L112 HydrophobicContact CD1-CG 4.42Å; Y28-L112 WeakPolarHBondContact CD1-O 3.37Å; Y28-L112 HydrophobicContact CE1-CB 4.45Å; Y28-L112 HydrophobicContact CE1-CD2 4.01Å; Y28-L112 HydrophobicContact CE1-CG 4.06Å; Y28-V114 HydrophobicContact CE1-CB 4.19Å; Y28-V114 HydrophobicContact CE1-CG1 3.69Å |
| 29 | N | 98.5 | Very high | 98.3 | Very high | 23 Ų | 23 | 57.9 Ų | 57.9 | 12% | 0.123 | 33% | 0.329 | C | S | . | . | trans | -112.6 | 130.7 | 166 | 179.4 | -63.9 | 0 | 0 | 0 | 108.9 | E31 L32 N33 E111 L112 | N29-E31 PolarHBondContact O-N 3.01Å; N29-E31 WeakPolarHBondContact OD1-CA 3.4Å; N29-E31 VanDerWaalsContact OD1-CB 3.27Å; N29-E31 WeakPolarHBondContact OD1-CB 3.09Å; N29-E31 PolarHBondContact OD1-N 3.49Å; N29-L32 HydrophobicContact CB-CB 4.21Å; N29-L32 HydrophobicContact CB-CD1 3.91Å; N29-L32 HydrophobicContact CB-CG 3.95Å; N29-L32 PolarHBondContact O-N 3.32Å; N29-L32 PolarHBondContact OD1-N 2.86Å; N29-N33 PolarHBondContact O-N 3.07Å; N29-N33 PolarHBondContact O-ND2 3.11Å; N29-N33 VanDerWaalsContact O-ND2 3.12Å; N29-E111 HydrophobicContact CB-CB 4.09Å; N29-E111 PolarHBondContact ND2-OE1 3.07Å; N29-L112 PolarHBondContact N-O 2.87Å | ||
| 30 | S | 97.6 | Very high | 98.3 | Very high | 94 Ų | 94 | 55 Ų | 55 | 66% | 0.657 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -68.2 | -32.8 | -175.9 | 48.4 | 0 | 0 | 0 | 0 | 113.4 | N33 A34 | S30-N33 PolarHBondContact O-N 3.31Å; S30-A34 PolarHBondContact O-N 3.03Å |
| 31 | E | 98.1 | Very high | 98.3 | Very high | 126 Ų | 126 | 53.9 Ų | 53.9 | 59% | 0.589 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -67.3 | -46.1 | 176.4 | -56.6 | 176 | 166.1 | 0 | 0 | 110.5 | N29 N33 A34 A35 R130 | N29-E31 PolarHBondContact O-N 3.01Å; N29-E31 WeakPolarHBondContact OD1-CA 3.4Å; N29-E31 VanDerWaalsContact OD1-CB 3.27Å; N29-E31 WeakPolarHBondContact OD1-CB 3.09Å; N29-E31 PolarHBondContact OD1-N 3.49Å; E31-N33 VanDerWaalsContact C-N 3.32Å; E31-N33 PolarHBondContact O-N 3.27Å; E31-A34 PolarHBondContact O-N 2.99Å; E31-A35 WeakPolarHBondContact O-CB 3.39Å; E31-A35 PolarHBondContact O-N 2.71Å; E31-R130 IonicContact OE2-NH1 3.23Å; E31-R130 PolarHBondContact OE2-NH1 3.39Å |
| 32 | L | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 175.5 | -63.8 | -177.8 | 0 | 0 | 0 | 111.5 | N29 A34 A35 A36 D56 E111 Q128 R130 | N29-L32 HydrophobicContact CB-CB 4.21Å; N29-L32 HydrophobicContact CB-CD1 3.91Å; N29-L32 HydrophobicContact CB-CG 3.95Å; N29-L32 PolarHBondContact O-N 3.32Å; N29-L32 PolarHBondContact OD1-N 2.86Å; L32-A34 VanDerWaalsContact C-N 3.34Å; L32-A34 PolarHBondContact O-N 3.42Å; L32-A35 PolarHBondContact O-N 3.16Å; L32-A36 WeakPolarHBondContact O-CB 3.19Å; L32-A36 PolarHBondContact O-N 2.7Å; L32-D56 HydrophobicContact CD2-CB 4.12Å; L32-D56 WeakPolarHBondContact CD2-OD2 3.17Å; L32-E111 HydrophobicContact CD1-CB 4.07Å; L32-Q128 HydrophobicContact CB-CB 4.46Å; L32-Q128 HydrophobicContact CD2-CB 4.25Å; L32-R130 HydrophobicContact CD1-CB 3.8Å; L32-R130 HydrophobicContact CD2-CB 4.48Å; L32-R130 VanDerWaalsContact CD2-NH2 3.3Å |
| 33 | N | 98.4 | Very high | 98.3 | Very high | 27 Ų | 27 | 55.1 Ų | 55.1 | 14% | 0.144 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.4 | -44.9 | 174.8 | -77.4 | -39.9 | 0 | 0 | 0 | 111.8 | Y28 N29 S30 E31 Q37 G113 V114 | Y28-N33 WeakPolarHBondContact CD1-OD1 3.43Å; N29-N33 PolarHBondContact O-N 3.07Å; N29-N33 PolarHBondContact O-ND2 3.11Å; N29-N33 VanDerWaalsContact O-ND2 3.12Å; S30-N33 PolarHBondContact O-N 3.31Å; E31-N33 VanDerWaalsContact C-N 3.32Å; E31-N33 PolarHBondContact O-N 3.27Å; N33-Q37 WeakPolarHBondContact O-CB 3.44Å; N33-Q37 PolarHBondContact O-N 3.16Å; N33-G113 VanDerWaalsContact OD1-CA 3.31Å; N33-G113 WeakPolarHBondContact OD1-CA 3.46Å; N33-V114 PolarHBondContact OD1-N 2.83Å |
| 34 | A | 98.2 | Very high | 98.3 | Very high | 65 Ų | 65 | 56 Ų | 56 | 54% | 0.537 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S30 E31 L32 Q37 K38 | S30-A34 PolarHBondContact O-N 3.03Å; E31-A34 PolarHBondContact O-N 2.99Å; L32-A34 VanDerWaalsContact C-N 3.34Å; L32-A34 PolarHBondContact O-N 3.42Å; A34-Q37 PolarHBondContact O-N 3.07Å; A34-K38 WeakPolarHBondContact O-CB 3.37Å; A34-K38 PolarHBondContact O-N 3.06Å |
| 35 | A | 98.3 | Very high | 98.2 | Very high | 43 Ų | 43 | 60 Ų | 60 | 36% | 0.355 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.9 | -50 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E31 L32 Q37 K38 W39 Q128 | E31-A35 WeakPolarHBondContact O-CB 3.39Å; E31-A35 PolarHBondContact O-N 2.71Å; L32-A35 PolarHBondContact O-N 3.16Å; A35-Q37 VanDerWaalsContact C-N 3.31Å; A35-Q37 PolarHBondContact O-N 3.14Å; A35-K38 WeakPolarHBondContact O-CB 3.47Å; A35-K38 PolarHBondContact O-N 3.15Å; A35-W39 PolarHBondContact O-N 2.77Å; A35-Q128 VanDerWaalsContact CB-OE1 3.29Å |
| 36 | A | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.7 | -41 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L32 W39 A40 I126 Q128 | L32-A36 WeakPolarHBondContact O-CB 3.19Å; L32-A36 PolarHBondContact O-N 2.7Å; A36-W39 PolarHBondContact O-N 3.29Å; A36-A40 WeakPolarHBondContact O-CB 3.48Å; A36-A40 PolarHBondContact O-N 3.16Å; A36-I126 HydrophobicContact CB-CB 4.14Å; A36-I126 HydrophobicContact CB-CG2 4.01Å; A36-Q128 HydrophobicContact CB-CB 4.47Å; A36-Q128 HydrophobicContact CB-CG 4.12Å |
| 37 | Q | 98.6 | Very high | 97.6 | Very high | 41 Ų | 41 | 61.5 Ų | 61.5 | 19% | 0.192 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 178.1 | -176.1 | 57.4 | 75.8 | 0 | 0 | 112.7 | M1 N33 A34 A35 W39 A41 L116 | M1-Q37 HydrophobicContact CB-CG 4.38Å; N33-Q37 WeakPolarHBondContact O-CB 3.44Å; N33-Q37 PolarHBondContact O-N 3.16Å; A34-Q37 PolarHBondContact O-N 3.07Å; A35-Q37 VanDerWaalsContact C-N 3.31Å; A35-Q37 PolarHBondContact O-N 3.14Å; Q37-W39 VanDerWaalsContact C-N 3.33Å; Q37-A41 PolarHBondContact O-N 2.93Å; Q37-A41 VanDerWaalsContact O-N 3.15Å; Q37-L116 PolarHBondContact NE2-O 2.87Å; Q37-L116 VanDerWaalsContact OE1-N 3.13Å; Q37-L116 PolarHBondContact OE1-O 3Å |
| 38 | K | 98.3 | Very high | 97.4 | Very high | 166 Ų | 166 | 60.5 Ų | 60.5 | 72% | 0.722 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -61.1 | -44.3 | 173.6 | -177.9 | -176.6 | 176.4 | -172.7 | 0 | 110.7 | A34 A35 A41 H42 | A34-K38 WeakPolarHBondContact O-CB 3.37Å; A34-K38 PolarHBondContact O-N 3.06Å; A35-K38 WeakPolarHBondContact O-CB 3.47Å; A35-K38 PolarHBondContact O-N 3.15Å; K38-A41 PolarHBondContact O-N 2.93Å; K38-H42 PolarHBondContact O-N 3.23Å; K38-H42 VanDerWaalsContact O-N 3.07Å |
| 39 | W | 98.5 | Very high | 97.1 | Very high | 51 Ų | 51 | 63.3 Ų | 63.3 | 19% | 0.193 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.5 | -43.9 | 179.4 | -169.1 | -127.5 | 0 | 0 | 0 | 112.9 | A35 A36 Q37 A41 H42 L43 G50 H51 S52 | A35-W39 PolarHBondContact O-N 2.77Å; A36-W39 PolarHBondContact O-N 3.29Å; Q37-W39 VanDerWaalsContact C-N 3.33Å; W39-A41 VanDerWaalsContact C-N 3.27Å; W39-A41 PolarHBondContact O-N 3.47Å; W39-H42 HydrophobicContact CE3-CB 4.03Å; W39-H42 AromaticContact CE3-CD2 3.74Å; W39-H42 AromaticContact CH2-CD2 3.56Å; W39-H42 AromaticContact CH2-NE2 3.94Å; W39-H42 HydrophobicContact CZ3-CB 4.32Å; W39-H42 AromaticContact CZ3-CD2 3.17Å; W39-H42 WeakPolarHBondContact CZ3-CD2 3.33Å; W39-H42 AromaticContact CZ3-CG 3.8Å; W39-H42 AromaticContact CZ3-NE2 3.71Å; W39-H42 WeakPolarHBondContact O-CB 3.32Å; W39-H42 PolarHBondContact O-N 3.42Å; W39-H42 VanDerWaalsContact O-N 3.1Å; W39-L43 HydrophobicContact CD2-CG 4.37Å; W39-L43 HydrophobicContact CH2-CD2 4.34Å; W39-L43 HydrophobicContact CZ2-CD2 3.63Å; W39-L43 HydrophobicContact CZ2-CG 4.34Å; W39-L43 WeakPolarHBondContact O-CG 3.45Å; W39-L43 PolarHBondContact O-N 2.93Å; W39-G50 PolarHBondContact NE1-O 2.69Å; W39-H51 VanDerWaalsContact CZ2-C 3.41Å; W39-H51 WeakPolarHBondContact CZ2-O 3.24Å; W39-S52 VanDerWaalsContact CD2-CB 3.44Å |
| 40 | A | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -55.3 | -44.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A36 L43 L44 A117 I126 | A36-A40 WeakPolarHBondContact O-CB 3.48Å; A36-A40 PolarHBondContact O-N 3.16Å; A40-L43 PolarHBondContact O-N 3.25Å; A40-L44 PolarHBondContact O-N 2.86Å; A40-L44 VanDerWaalsContact O-N 3.12Å; A40-A117 HydrophobicContact CB-CB 3.84Å; A40-A117 WeakPolarHBondContact O-CB 3.43Å; A40-I126 HydrophobicContact CB-CG1 3.72Å |
| 41 | A | 98.3 | Very high | 96.7 | Very high | 45 Ų | 45 | 64.7 Ų | 64.7 | 37% | 0.372 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q37 K38 W39 L43 L44 E45 | Q37-A41 PolarHBondContact O-N 2.93Å; Q37-A41 VanDerWaalsContact O-N 3.15Å; K38-A41 PolarHBondContact O-N 2.93Å; W39-A41 VanDerWaalsContact C-N 3.27Å; W39-A41 PolarHBondContact O-N 3.47Å; A41-L43 PolarHBondContact O-N 2.6Å; A41-L44 PolarHBondContact O-N 2.98Å; A41-E45 WeakPolarHBondContact O-CB 3.49Å; A41-E45 PolarHBondContact O-N 2.84Å |
| 42 | H | 97.9 | Very high | 96.5 | Very high | 77 Ų | 77 | 59.8 Ų | 59.8 | 36% | 0.356 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 177 | 179 | 85.3 | 0 | 0 | 0 | 112.8 | K38 W39 E45 N46 | K38-H42 PolarHBondContact O-N 3.23Å; K38-H42 VanDerWaalsContact O-N 3.07Å; W39-H42 HydrophobicContact CE3-CB 4.03Å; W39-H42 AromaticContact CE3-CD2 3.74Å; W39-H42 AromaticContact CH2-CD2 3.56Å; W39-H42 AromaticContact CH2-NE2 3.94Å; W39-H42 HydrophobicContact CZ3-CB 4.32Å; W39-H42 AromaticContact CZ3-CD2 3.17Å; W39-H42 WeakPolarHBondContact CZ3-CD2 3.33Å; W39-H42 AromaticContact CZ3-CG 3.8Å; W39-H42 AromaticContact CZ3-NE2 3.71Å; W39-H42 WeakPolarHBondContact O-CB 3.32Å; W39-H42 PolarHBondContact O-N 3.42Å; W39-H42 VanDerWaalsContact O-N 3.1Å; H42-E45 PolarHBondContact O-N 3.05Å; H42-N46 PolarHBondContact CE1-ND2 3.03Å; H42-N46 PolarHBondContact ND1-ND2 3.28Å; H42-N46 VanDerWaalsContact ND1-ND2 3.17Å; H42-N46 PolarHBondContact NE2-ND2 2.94Å; H42-N46 WeakPolarHBondContact O-CB 3.2Å; H42-N46 PolarHBondContact O-N 2.87Å; H42-N46 PolarHBondContact O-ND2 3.09Å |
| 43 | L | 97.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 177.5 | -65.4 | -179.2 | 0 | 0 | 0 | 111.9 | W39 A40 A41 K47 T48 V60 F124 I126 | W39-L43 HydrophobicContact CD2-CG 4.37Å; W39-L43 HydrophobicContact CH2-CD2 4.34Å; W39-L43 HydrophobicContact CZ2-CD2 3.63Å; W39-L43 HydrophobicContact CZ2-CG 4.34Å; W39-L43 WeakPolarHBondContact O-CG 3.45Å; W39-L43 PolarHBondContact O-N 2.93Å; A40-L43 PolarHBondContact O-N 3.25Å; A41-L43 PolarHBondContact O-N 2.6Å; L43-K47 WeakPolarHBondContact O-CA 3.33Å; L43-K47 PolarHBondContact O-N 3.36Å; L43-T48 WeakPolarHBondContact CD2-O 3.47Å; L43-T48 PolarHBondContact O-N 2.83Å; L43-V60 HydrophobicContact CD1-CG1 4.06Å; L43-F124 HydrophobicContact CB-CD1 3.79Å; L43-F124 HydrophobicContact CB-CD2 4.18Å; L43-F124 HydrophobicContact CB-CE1 3.81Å; L43-F124 HydrophobicContact CB-CE2 4.22Å; L43-F124 HydrophobicContact CB-CG 3.96Å; L43-F124 HydrophobicContact CB-CZ 4.03Å; L43-F124 HydrophobicContact CD1-CD1 3.75Å; L43-F124 HydrophobicContact CD1-CE1 4.07Å; L43-F124 HydrophobicContact CD1-CG 4.45Å; L43-F124 HydrophobicContact CG-CD1 4.45Å; L43-I126 HydrophobicContact CD1-CD1 3.67Å |
| 44 | L | 97.2 | Very high | 96 | Very high | 27 Ų | 27 | 69.1 Ų | 69.1 | 14% | 0.141 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 177.9 | -175.5 | 70.2 | 0 | 0 | 0 | 112.4 | A40 A41 K47 A117 D119 T122 F124 | A40-L44 PolarHBondContact O-N 2.86Å; A40-L44 VanDerWaalsContact O-N 3.12Å; A41-L44 PolarHBondContact O-N 2.98Å; L44-K47 VanDerWaalsContact O-CD 3.27Å; L44-K47 WeakPolarHBondContact O-CD 3.5Å; L44-K47 VanDerWaalsContact O-CE 3.25Å; L44-K47 WeakPolarHBondContact O-CE 3.33Å; L44-K47 PolarHBondContact O-NZ 3.32Å; L44-A117 HydrophobicContact CB-CB 3.89Å; L44-A117 HydrophobicContact CD2-CB 3.88Å; L44-A117 HydrophobicContact CG-CB 4.49Å; L44-D119 HydrophobicContact CD1-CB 4.47Å; L44-T122 HydrophobicContact CD1-CG2 3.9Å; L44-F124 HydrophobicContact CB-CD2 3.94Å; L44-F124 HydrophobicContact CB-CE2 4.36Å; L44-F124 HydrophobicContact CD1-CD2 4.01Å; L44-F124 HydrophobicContact CD1-CE2 4.22Å |
| 45 | E | 97.1 | Very high | 95.8 | Very high | 157 Ų | 157 | 74.4 Ų | 74.4 | 73% | 0.734 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.7 | -46.9 | 179.6 | -177.1 | 175.7 | -165.8 | 0 | 0 | 111.4 | A41 H42 | A41-E45 WeakPolarHBondContact O-CB 3.49Å; A41-E45 PolarHBondContact O-N 2.84Å; H42-E45 PolarHBondContact O-N 3.05Å |
| 46 | N | 95.5 | Very high | 95.7 | Very high | 83 Ų | 83 | 73.8 Ų | 73.8 | 44% | 0.444 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -87.4 | -8.2 | -176.4 | -65.3 | -62.4 | 0 | 0 | 0 | 114.1 | H42 T48 | H42-N46 PolarHBondContact CE1-ND2 3.03Å; H42-N46 PolarHBondContact ND1-ND2 3.28Å; H42-N46 VanDerWaalsContact ND1-ND2 3.17Å; H42-N46 PolarHBondContact NE2-ND2 2.94Å; H42-N46 WeakPolarHBondContact O-CB 3.2Å; H42-N46 PolarHBondContact O-N 2.87Å; H42-N46 PolarHBondContact O-ND2 3.09Å; N46-T48 HydrophobicContact CB-CG2 4.21Å; N46-T48 PolarHBondContact O-N 2.82Å |
| 47 | K | 90 | Very high | 95.7 | Very high | 116 Ų | 116 | 74.3 Ų | 74.3 | 50% | 0.504 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 37.6 | -176 | -56.2 | -62.4 | -177.9 | -171.1 | 0 | 112.8 | L43 L44 D119 | L43-K47 WeakPolarHBondContact O-CA 3.33Å; L43-K47 PolarHBondContact O-N 3.36Å; L44-K47 VanDerWaalsContact O-CD 3.27Å; L44-K47 WeakPolarHBondContact O-CD 3.5Å; L44-K47 VanDerWaalsContact O-CE 3.25Å; L44-K47 WeakPolarHBondContact O-CE 3.33Å; L44-K47 PolarHBondContact O-NZ 3.32Å; K47-D119 IonicContact NZ-OD2 2.69Å; K47-D119 PolarHBondContact NZ-OD2 2.9Å |
| 48 | T | 92.8 | Very high | 95.7 | Very high | 67 Ų | 67 | 73.3 Ų | 73.3 | 41% | 0.411 | 38% | 0.383 | S | S | . | . | trans | -109.3 | 155.3 | 177.9 | 51.8 | 0 | 0 | 0 | 0 | 110.6 | L43 N46 F124 | L43-T48 WeakPolarHBondContact CD2-O 3.47Å; L43-T48 PolarHBondContact O-N 2.83Å; N46-T48 HydrophobicContact CB-CG2 4.21Å; N46-T48 PolarHBondContact O-N 2.82Å; T48-F124 WeakPolarHBondContact O-CZ 3.17Å | ||
| 49 | L | 92.3 | Very high | 95.7 | Very high | 120 Ų | 120 | 65.5 Ų | 65.5 | 63% | 0.628 | 35% | 0.349 | S | S | * | . | trans | -115.6 | 128.6 | 170.2 | -175.5 | 68.3 | 0 | 0 | 0 | 108.5 | V60 Y62 F124 | L49-V60 HydrophobicContact CD1-CG1 3.69Å; L49-Y62 HydrophobicContact CD1-CG 4.44Å; L49-F124 HydrophobicContact CD1-CE1 4.01Å | ||
| 50 | G | 93.6 | Very high | 95.7 | Very high | 28 Ų | 28 | 63.9 Ų | 63.9 | 29% | 0.289 | 35% | 0.345 | S | S | . | . | trans | 176 | 168.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | W39 | W39-G50 PolarHBondContact NE1-O 2.69Š| ||
| 51 | H | 94.2 | Very high | 95.7 | Very high | 118 Ų | 118 | 64.9 Ų | 64.9 | 55% | 0.546 | 35% | 0.349 | S | S | . | . | trans | -82.8 | 150.9 | 174.8 | -74 | -68.8 | 0 | 0 | 0 | 112 | W39 E58 | W39-H51 VanDerWaalsContact CZ2-C 3.41Å; W39-H51 WeakPolarHBondContact CZ2-O 3.24Å; H51-E58 WeakPolarHBondContact CA-OE1 3.31Å; H51-E58 WeakPolarHBondContact CB-OE1 3.38Å; H51-E58 PolarHBondContact CE1-O 3.28Å; H51-E58 IonicContact CG-OE1 3.56Å; H51-E58 IonicContact ND1-OE1 2.96Å; H51-E58 PolarHBondContact ND1-OE1 2.74Å | ||
| 52 | S | 94.6 | Very high | 95.6 | Very high | 24 Ų | 24 | 68.2 Ų | 68.2 | 17% | 0.168 | 35% | 0.353 | C | S | . | . | trans | -76.1 | 164.1 | 172.1 | 70 | 0 | 0 | 0 | 0 | 112 | W39 T54 E58 Q128 | W39-S52 VanDerWaalsContact CD2-CB 3.44Å; S52-T54 VanDerWaalsContact C-N 3.32Å; S52-T54 PolarHBondContact O-N 3.15Å; S52-T54 VanDerWaalsContact O-N 3.16Å; S52-T54 WeakPolarHBondContact OG-CG2 3.48Å; S52-E58 WeakPolarHBondContact CB-OE2 3.4Å; S52-E58 PolarHBondContact N-OE1 2.9Å; S52-E58 PolarHBondContact OG-OE2 3.29Å; S52-Q128 PolarHBondContact OG-NE2 2.79Å | ||
| 53 | D | 93.8 | Very high | 95.5 | Very high | 179 Ų | 179 | 65.5 Ų | 65.5 | 96% | 0.957 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -83.7 | 77.2 | 170.4 | -168.6 | 26.3 | 0 | 0 | 0 | 109.2 | ||
| 54 | T | 92.7 | Very high | 95.3 | Very high | 44 Ų | 44 | 71.4 Ų | 71.4 | 27% | 0.27 | 37% | 0.368 | S | S | . | . | trans | -129.6 | 146.3 | -178.6 | -173.1 | 0 | 0 | 0 | 0 | 111.4 | S52 D56 E58 | S52-T54 VanDerWaalsContact C-N 3.32Å; S52-T54 PolarHBondContact O-N 3.15Å; S52-T54 VanDerWaalsContact O-N 3.16Å; S52-T54 WeakPolarHBondContact OG-CG2 3.48Å; T54-D56 VanDerWaalsContact C-N 3.3Å; T54-D56 PolarHBondContact OG1-N 2.98Å; T54-E58 HydrophobicContact CG2-CB 4.49Å | ||
| 55 | D | 93.3 | Very high | 95.2 | Very high | 175 Ų | 175 | 73 Ų | 73 | 94% | 0.936 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -82.3 | -10.8 | 171.9 | -68.1 | -39.7 | 0 | 0 | 0 | 112.4 | ||
| 56 | D | 97.3 | Very high | 94.9 | Very high | 31 Ų | 31 | 70.5 Ų | 70.5 | 17% | 0.166 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -78.9 | 159.3 | 175.4 | -67.7 | -58.9 | 0 | 0 | 0 | 111.2 | L32 T54 R130 | L32-D56 HydrophobicContact CD2-CB 4.12Å; L32-D56 WeakPolarHBondContact CD2-OD2 3.17Å; T54-D56 VanDerWaalsContact C-N 3.3Å; T54-D56 PolarHBondContact OG1-N 2.98Å; D56-R130 WeakPolarHBondContact OD1-CB 3.19Å; D56-R130 WeakPolarHBondContact OD1-CG 3.28Å; D56-R130 IonicContact OD1-CZ 3.62Å; D56-R130 IonicContact OD1-NE 2.78Å; D56-R130 PolarHBondContact OD1-NE 3.37Å; D56-R130 IonicContact OD1-NH2 3.59Å; D56-R130 IonicContact OD2-CZ 3.57Å; D56-R130 IonicContact OD2-NE 3.52Å; D56-R130 IonicContact OD2-NH2 2.77Å; D56-R130 PolarHBondContact OD2-NH2 3.36Å |
| 57 | G | 97.7 | Very high | 94.9 | Very high | 10 Ų | 10 | 73.9 Ų | 73.9 | 10% | 0.103 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 149.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q128 Y129 | G57-Q128 CarbonylContact O-C 3.53Å; G57-Q128 WeakPolarHBondContact O-CA 3.29Å; G57-Y129 PolarHBondContact N-O 2.82Å; G57-Y129 PolarHBondContact O-N 2.98Å |
| 58 | E | 98.5 | Very high | 95.1 | Very high | 20 Ų | 20 | 76 Ų | 76 | 9% | 0.093 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 132.5 | -178.8 | -169.8 | 177.6 | 80.6 | 0 | 0 | 112.9 | H51 S52 T54 V60 I126 G127 Q128 | H51-E58 WeakPolarHBondContact CA-OE1 3.31Å; H51-E58 WeakPolarHBondContact CB-OE1 3.38Å; H51-E58 PolarHBondContact CE1-O 3.28Å; H51-E58 IonicContact CG-OE1 3.56Å; H51-E58 IonicContact ND1-OE1 2.96Å; H51-E58 PolarHBondContact ND1-OE1 2.74Å; S52-E58 WeakPolarHBondContact CB-OE2 3.4Å; S52-E58 PolarHBondContact N-OE1 2.9Å; S52-E58 PolarHBondContact OG-OE2 3.29Å; T54-E58 HydrophobicContact CG2-CB 4.49Å; E58-V60 HydrophobicContact CG-CG2 4.19Å; E58-I126 HydrophobicContact CG-CG2 3.96Å; E58-G127 CarbonylContact C-O 3.59Å; E58-G127 VanDerWaalsContact CA-O 3.3Å; E58-G127 WeakPolarHBondContact CA-O 3.4Å; E58-Q128 HydrophobicContact CB-CG 4.43Å; E58-Q128 HydrophobicContact CG-CG 4.11Å; E58-Q128 PolarHBondContact OE2-NE2 2.77Å |
| 59 | N | 98.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 75.2 Ų | 75.2 | 1% | 0.011 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 137.7 | 165 | -74.2 | -7.9 | 0 | 0 | 0 | 109.8 | W80 H100 I126 G127 Y129 | N59-W80 HydrophobicContact CB-CD2 3.75Å; N59-W80 HydrophobicContact CB-CE3 3.98Å; N59-W80 HydrophobicContact CB-CG 4.38Å; N59-W80 HydrophobicContact CB-CH2 3.86Å; N59-W80 HydrophobicContact CB-CZ2 3.6Å; N59-W80 HydrophobicContact CB-CZ3 4.02Å; N59-H100 PolarHBondContact ND2-O 2.92Å; N59-H100 VanDerWaalsContact ND2-O 3.11Å; N59-H100 WeakPolarHBondContact OD1-CA 3.39Å; N59-H100 PolarHBondContact OD1-CD2 2.87Å; N59-I126 WeakPolarHBondContact O-CA 3.25Å; N59-G127 PolarHBondContact N-O 2.87Å; N59-G127 PolarHBondContact O-N 3.17Å; N59-Y129 HydrophobicContact CB-CE2 3.91Å; N59-Y129 PolarHBondContact ND2-OH 3.04Å |
| 60 | V | 98.2 | Very high | 95.1 | Very high | 18 Ų | 18 | 75.8 Ų | 75.8 | 11% | 0.109 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.9 | 179.4 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | L43 L49 E58 W80 I126 | L43-V60 HydrophobicContact CD1-CG1 4.06Å; L49-V60 HydrophobicContact CD1-CG1 3.69Å; E58-V60 HydrophobicContact CG-CG2 4.19Å; V60-W80 PolarHBondContact O-NE1 3.39Å; V60-I126 HydrophobicContact CB-CD1 4.12Å; V60-I126 HydrophobicContact CG1-CD1 3.71Å; V60-I126 HydrophobicContact CG2-CD1 3.84Å |
| 61 | F | 97.6 | Very high | 95 | Very high | 21 Ų | 21 | 75.3 Ų | 75.3 | 9% | 0.092 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 136.8 | 172.2 | 173.3 | -90.5 | 0 | 0 | 0 | 109.2 | Q75 A76 W80 F124 V125 | F61-Q75 HydrophobicContact CZ-CG 4.43Å; F61-A76 HydrophobicContact CB-CB 3.78Å; F61-A76 HydrophobicContact CD1-CB 4.03Å; F61-A76 HydrophobicContact CD2-CB 4.09Å; F61-A76 HydrophobicContact CG-CB 3.69Å; F61-W80 HydrophobicContact CB-CZ2 3.64Å; F61-F124 WeakPolarHBondContact O-CA 3.36Å; F61-V125 HydrophobicContact CB-CB 4.11Å; F61-V125 HydrophobicContact CD1-CB 4.19Å; F61-V125 HydrophobicContact CD1-CG2 4.05Å; F61-V125 PolarHBondContact N-O 3.13Å; F61-V125 PolarHBondContact O-N 3.04Å |
| 62 | Y | 96.6 | Very high | 95 | Very high | 115 Ų | 115 | 75.2 Ų | 75.2 | 45% | 0.451 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 135.6 | 177.6 | 166.4 | -99.1 | 0 | 0 | 0 | 109.6 | L49 T122 V123 F124 | L49-Y62 HydrophobicContact CD1-CG 4.44Å; Y62-T122 HydrophobicContact CD2-CG2 4.24Å; Y62-T122 HydrophobicContact CE2-CG2 3.63Å; Y62-V123 WeakPolarHBondContact CA-O 3.31Å; Y62-F124 AromaticContact CD2-CD1 4Å; Y62-F124 HydrophobicContact CD2-CD1 4Å; Y62-F124 AromaticContact CD2-CE1 3.39Å; Y62-F124 HydrophobicContact CD2-CE1 3.39Å; Y62-F124 AromaticContact CD2-CE2 3.98Å; Y62-F124 HydrophobicContact CD2-CE2 3.98Å; Y62-F124 AromaticContact CD2-CZ 3.39Å; Y62-F124 HydrophobicContact CD2-CZ 3.39Å; Y62-F124 HydrophobicContact CE2-CE1 4.21Å; Y62-F124 HydrophobicContact CE2-CE2 4.19Å; Y62-F124 AromaticContact CE2-CZ 3.75Å; Y62-F124 HydrophobicContact CE2-CZ 3.75Å; Y62-F124 HydrophobicContact CG-CE1 4.12Å; Y62-F124 HydrophobicContact CG-CZ 4.47Å |
| 63 | S | 95.4 | Very high | 94.8 | Very high | 19 Ų | 19 | 74 Ų | 74 | 13% | 0.133 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 152.6 | 167.1 | 72 | 0 | 0 | 0 | 0 | 111.6 | T122 V123 | S63-T122 WeakPolarHBondContact O-CA 3.27Å; S63-V123 PolarHBondContact N-O 3.5Å; S63-V123 PolarHBondContact O-N 3.18Å |
| 64 | F | 95 | Very high | 94.9 | Very high | 125 Ų | 125 | 67.5 Ų | 67.5 | 55% | 0.548 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 134.1 | 173.8 | 173.1 | -95 | 0 | 0 | 0 | 109.7 | H121 | F64-H121 CarbonylContact C-O 3.47Å; F64-H121 VanDerWaalsContact CA-O 3.31Å; F64-H121 WeakPolarHBondContact CA-O 3.39Å; F64-H121 HydrophobicContact CD2-CB 4.49Å; F64-H121 HydrophobicContact CE2-CB 4.17Å |
| 65 | N | 93.8 | Very high | 95.2 | Very high | 62 Ų | 62 | 69.8 Ų | 69.8 | 33% | 0.332 | 36% | 0.362 | S | S | . | . | trans | -132.8 | 141.1 | 178.2 | -70.6 | -74.1 | 0 | 0 | 0 | 111.6 | Q67 V69 H121 | N65-Q67 VanDerWaalsContact C-N 3.27Å; N65-Q67 VanDerWaalsContact CB-O 3.29Å; N65-Q67 WeakPolarHBondContact CB-O 3.21Å; N65-Q67 PolarHBondContact O-N 3.08Å; N65-V69 HydrophobicContact CB-CG1 3.9Å; N65-V69 HydrophobicContact CB-CG2 4.41Å; N65-H121 PolarHBondContact N-O 3.18Å; N65-H121 PolarHBondContact O-ND1 3.04Å | ||
| 66 | S | 92.6 | Very high | 95.4 | Very high | 103 Ų | 103 | 61.5 Ų | 61.5 | 72% | 0.72 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -68.1 | -29.3 | 174.7 | 58.2 | 0 | 0 | 0 | 0 | 112.3 | H121 | S66-H121 PolarHBondContact O-CE1 3.47Å; S66-H121 VanDerWaalsContact O-CE1 3.24Å; S66-H121 PolarHBondContact O-ND1 3.43Å |
| 67 | Q | 94.6 | Very high | 95.4 | Very high | 154 Ų | 154 | 60 Ų | 60 | 72% | 0.72 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -97.4 | 152.8 | 171.6 | -60.8 | -175.8 | 14.2 | 0 | 0 | 110.3 | N65 V69 | N65-Q67 VanDerWaalsContact C-N 3.27Å; N65-Q67 VanDerWaalsContact CB-O 3.29Å; N65-Q67 WeakPolarHBondContact CB-O 3.21Å; N65-Q67 PolarHBondContact O-N 3.08Å; Q67-V69 PolarHBondContact O-N 3.27Å |
| 68 | K | 93.4 | Very high | 95.4 | Very high | 162 Ų | 162 | 61.2 Ų | 61.2 | 70% | 0.704 | 32% | 0.319 | S | S | * | . | trans | -67.1 | 133.2 | 174.4 | -72.5 | -175.7 | 176.7 | -177.8 | 0 | 110.1 | G120 | K68-G120 CarbonylContact C-O 3.47Å; K68-G120 VanDerWaalsContact CA-O 3.23Å; K68-G120 WeakPolarHBondContact CA-O 3.27Å | ||
| 69 | V | 92.5 | Very high | 95.4 | Very high | 50 Ų | 50 | 63.1 Ų | 63.1 | 30% | 0.303 | 34% | 0.335 | S | S | . | . | trans | -123.3 | 145.6 | 178.9 | -63.3 | 0 | 0 | 0 | 0 | 110.7 | N65 Q67 G120 V123 | N65-V69 HydrophobicContact CB-CG1 3.9Å; N65-V69 HydrophobicContact CB-CG2 4.41Å; Q67-V69 PolarHBondContact O-N 3.27Å; V69-G120 PolarHBondContact N-O 2.92Å; V69-V123 HydrophobicContact CG2-CG2 4.01Å | ||
| 70 | T | 92.4 | Very high | 95.4 | Very high | 131 Ų | 131 | 63.2 Ų | 63.2 | 80% | 0.804 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -94 | 116.2 | 166.3 | -58.2 | 0 | 0 | 0 | 0 | 107.3 | ||
| 71 | P | 92.8 | Very high | 95.5 | Very high | 18 Ų | 18 | 63 Ų | 63 | 12% | 0.117 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 133 | -177.7 | 29.3 | -33.9 | 0 | 0 | 0 | 111.1 | F6 L116 T118 V123 | F6-P71 WeakPolarHBondContact CD2-O 3.12Å; F6-P71 HydrophobicContact CE2-CB 4.24Å; P71-L116 HydrophobicContact CB-CD1 4.06Å; P71-L116 HydrophobicContact CG-CD1 3.66Å; P71-L116 HydrophobicContact CG-CD2 3.83Å; P71-L116 HydrophobicContact CG-CG 4.34Å; P71-T118 HydrophobicContact CG-CG2 4.23Å; P71-V123 HydrophobicContact CB-CG1 3.63Å; P71-V123 HydrophobicContact CB-CG2 4.15Å; P71-V123 HydrophobicContact CG-CG1 4.17Å; P71-V123 HydrophobicContact CG-CG2 4.46Å |
| 72 | E | 94.3 | Very high | 95.5 | Very high | 116 Ų | 116 | 65.9 Ų | 65.9 | 54% | 0.542 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -94.7 | 142.5 | 176.2 | -64.4 | 177 | -170.1 | 0 | 0 | 110.5 | F6 S74 Q75 | F6-E72 VanDerWaalsContact CE2-C 3.44Å; E72-S74 PolarHBondContact O-N 2.78Å; E72-Q75 HydrophobicContact CB-CB 4.39Å; E72-Q75 PolarHBondContact O-N 2.88Å |
| 73 | G | 89.9 | Confident | 95.6 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.2 | -33 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F6 E9 F10 | F6-G73 VanDerWaalsContact CE2-CA 3.45Å; E9-G73 PolarHBondContact OE2-N 2.77Å; F10-G73 VanDerWaalsContact CD2-O 3.27Å; F10-G73 WeakPolarHBondContact CD2-O 3.5Å |
| 74 | S | 96.9 | Very high | 95.7 | Very high | 41 Ų | 41 | 62.4 Ų | 62.4 | 29% | 0.287 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -71.9 | -27.6 | -179.4 | 62.2 | 0 | 0 | 0 | 0 | 113.5 | E72 A76 V77 A78 | E72-S74 PolarHBondContact O-N 2.78Å; S74-A76 PolarHBondContact O-N 3.33Å; S74-V77 PolarHBondContact O-N 2.87Å; S74-A78 WeakPolarHBondContact O-CB 3.34Å; S74-A78 PolarHBondContact O-N 3.03Å |
| 75 | Q | 97.1 | Very high | 95.8 | Very high | 92 Ų | 92 | 63 Ų | 63 | 43% | 0.43 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.1 | -46.8 | -170.3 | -173.9 | -178.4 | 16.6 | 0 | 0 | 112.4 | F61 E72 V77 A78 S79 | F61-Q75 HydrophobicContact CZ-CG 4.43Å; E72-Q75 HydrophobicContact CB-CB 4.39Å; E72-Q75 PolarHBondContact O-N 2.88Å; Q75-V77 VanDerWaalsContact C-N 3.32Å; Q75-V77 PolarHBondContact O-N 3.32Å; Q75-A78 PolarHBondContact O-N 2.96Å; Q75-S79 WeakPolarHBondContact O-CB 3.38Å; Q75-S79 PolarHBondContact O-N 3.23Å |
| 76 | A | 97.4 | Very high | 96 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.008 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | F10 F61 S74 S79 W80 V125 | F10-A76 HydrophobicContact CE2-CB 4.4Å; F61-A76 HydrophobicContact CB-CB 3.78Å; F61-A76 HydrophobicContact CD1-CB 4.03Å; F61-A76 HydrophobicContact CD2-CB 4.09Å; F61-A76 HydrophobicContact CG-CB 3.69Å; S74-A76 PolarHBondContact O-N 3.33Å; A76-S79 WeakPolarHBondContact O-CB 3.34Å; A76-S79 PolarHBondContact O-N 3.31Å; A76-W80 HydrophobicContact CB-CH2 4.22Å; A76-W80 HydrophobicContact CB-CZ2 4.22Å; A76-W80 HydrophobicContact CB-CZ3 4.5Å; A76-W80 VanDerWaalsContact O-CD2 3.27Å; A76-W80 VanDerWaalsContact O-CG 3.25Å; A76-W80 PolarHBondContact O-N 3.02Å; A76-V125 HydrophobicContact CB-CB 3.91Å; A76-V125 HydrophobicContact CB-CG1 3.86Å; A76-V125 HydrophobicContact CB-CG2 4.23Å |
| 77 | V | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.2 | -43.6 | -179.6 | -166.9 | 0 | 0 | 0 | 0 | 111.6 | F10 A13 H14 Y17 S74 Q75 S79 W80 Y81 V104 | F10-V77 HydrophobicContact CD2-CG2 3.53Å; F10-V77 HydrophobicContact CE2-CG2 3.77Å; F10-V77 HydrophobicContact CG-CG2 3.95Å; F10-V77 HydrophobicContact CZ-CG2 4.41Å; A13-V77 HydrophobicContact CB-CB 3.86Å; A13-V77 HydrophobicContact CB-CG1 3.98Å; A13-V77 HydrophobicContact CB-CG2 4.08Å; H14-V77 WeakPolarHBondContact CE1-CG2 3.41Å; H14-V77 WeakPolarHBondContact ND1-CG2 3.29Å; Y17-V77 HydrophobicContact CD2-CG1 3.91Å; Y17-V77 HydrophobicContact CE2-CG1 4.12Å; S74-V77 PolarHBondContact O-N 2.87Å; Q75-V77 VanDerWaalsContact C-N 3.32Å; Q75-V77 PolarHBondContact O-N 3.32Å; V77-S79 VanDerWaalsContact C-N 3.32Å; V77-S79 PolarHBondContact O-N 3.49Å; V77-W80 PolarHBondContact O-N 3.36Å; V77-Y81 VanDerWaalsContact O-CB 3.27Å; V77-Y81 WeakPolarHBondContact O-CB 3.37Å; V77-Y81 PolarHBondContact O-N 2.96Å; V77-V104 HydrophobicContact CG1-CG1 4.43Å |
| 78 | A | 98.4 | Very high | 96.3 | Very high | 36 Ų | 36 | 55.5 Ų | 55.5 | 30% | 0.298 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S74 Q75 Y81 D82 | S74-A78 WeakPolarHBondContact O-CB 3.34Å; S74-A78 PolarHBondContact O-N 3.03Å; Q75-A78 PolarHBondContact O-N 2.96Å; A78-Y81 PolarHBondContact O-N 3.24Å; A78-D82 WeakPolarHBondContact O-CB 3.3Å; A78-D82 PolarHBondContact O-N 2.99Å |
| 79 | S | 98.1 | Very high | 96.4 | Very high | 60 Ų | 60 | 51.2 Ų | 51.2 | 42% | 0.42 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 175.8 | -175.2 | 0 | 0 | 0 | 0 | 112.5 | Q75 A76 V77 | Q75-S79 WeakPolarHBondContact O-CB 3.38Å; Q75-S79 PolarHBondContact O-N 3.23Å; A76-S79 WeakPolarHBondContact O-CB 3.34Å; A76-S79 PolarHBondContact O-N 3.31Å; V77-S79 VanDerWaalsContact C-N 3.32Å; V77-S79 PolarHBondContact O-N 3.49Å |
| 80 | W | 98.6 | Very high | 96.6 | Very high | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.015 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66 | -39.9 | 175.9 | -66.6 | -30.2 | 0 | 0 | 0 | 112.2 | F10 N59 V60 F61 A76 V77 H100 F101 V104 V125 Y129 | F10-W80 AromaticContact CE2-CH2 3.77Å; F10-W80 HydrophobicContact CE2-CH2 3.77Å; F10-W80 AromaticContact CE2-CZ3 3.58Å; F10-W80 HydrophobicContact CE2-CZ3 3.58Å; F10-W80 AromaticContact CZ-CH2 3.78Å; F10-W80 HydrophobicContact CZ-CH2 3.78Å; F10-W80 AromaticContact CZ-CZ3 3.49Å; F10-W80 HydrophobicContact CZ-CZ3 3.49Å; F10-W80 VanDerWaalsContact CZ-CZ3 3.49Å; N59-W80 HydrophobicContact CB-CD2 3.75Å; N59-W80 HydrophobicContact CB-CE3 3.98Å; N59-W80 HydrophobicContact CB-CG 4.38Å; N59-W80 HydrophobicContact CB-CH2 3.86Å; N59-W80 HydrophobicContact CB-CZ2 3.6Å; N59-W80 HydrophobicContact CB-CZ3 4.02Å; V60-W80 PolarHBondContact O-NE1 3.39Å; F61-W80 HydrophobicContact CB-CZ2 3.64Å; A76-W80 HydrophobicContact CB-CH2 4.22Å; A76-W80 HydrophobicContact CB-CZ2 4.22Å; A76-W80 HydrophobicContact CB-CZ3 4.5Å; A76-W80 VanDerWaalsContact O-CD2 3.27Å; A76-W80 VanDerWaalsContact O-CG 3.25Å; A76-W80 PolarHBondContact O-N 3.02Å; V77-W80 PolarHBondContact O-N 3.36Å; W80-H100 HydrophobicContact CB-CB 3.6Å; W80-H100 AromaticContact CD1-CD2 4Å; W80-H100 AromaticContact CD1-CG 3.54Å; W80-H100 AromaticContact CD1-ND1 3.79Å; W80-H100 HydrophobicContact CG-CB 3.7Å; W80-F101 VanDerWaalsContact O-CA 3.32Å; W80-F101 WeakPolarHBondContact O-CA 3.47Å; W80-F101 WeakPolarHBondContact O-CB 3.21Å; W80-F101 PolarHBondContact O-N 3.09Å; W80-F101 VanDerWaalsContact O-N 3.15Å; W80-V104 HydrophobicContact CB-CG2 4.01Å; W80-V104 HydrophobicContact CE3-CG2 4.25Å; W80-V125 HydrophobicContact CH2-CG1 4.4Å; W80-Y129 WeakPolarHBondContact CZ3-OH 3.47Å |
| 81 | Y | 98.6 | Very high | 96.7 | Very high | 12 Ų | 12 | 53.9 Ų | 53.9 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.7 | -32.2 | -179.9 | -176.4 | -96.7 | 0 | 0 | 0 | 113 | Y17 Q20 H21 V77 A78 E83 I84 F101 V104 V105 K148 | Y17-Y81 AromaticContact CD1-CD1 3.4Å; Y17-Y81 HydrophobicContact CD1-CD1 3.4Å; Y17-Y81 VanDerWaalsContact CD1-CD1 3.4Å; Y17-Y81 AromaticContact CD1-CD2 3.62Å; Y17-Y81 HydrophobicContact CD1-CD2 3.62Å; Y17-Y81 AromaticContact CD1-CE1 3.4Å; Y17-Y81 HydrophobicContact CD1-CE1 3.4Å; Y17-Y81 AromaticContact CD1-CE2 3.63Å; Y17-Y81 HydrophobicContact CD1-CE2 3.63Å; Y17-Y81 AromaticContact CD1-CG 3.49Å; Y17-Y81 HydrophobicContact CD1-CG 3.49Å; Y17-Y81 VanDerWaalsContact CD1-CG 3.49Å; Y17-Y81 AromaticContact CD1-CZ 3.5Å; Y17-Y81 HydrophobicContact CD2-CD1 4.44Å; Y17-Y81 HydrophobicContact CD2-CD2 4.05Å; Y17-Y81 AromaticContact CD2-CG 3.85Å; Y17-Y81 HydrophobicContact CD2-CG 3.85Å; Y17-Y81 AromaticContact CE1-CD1 3.23Å; Y17-Y81 HydrophobicContact CE1-CD1 3.23Å; Y17-Y81 HydrophobicContact CE1-CD2 4.27Å; Y17-Y81 AromaticContact CE1-CE1 3.47Å; Y17-Y81 HydrophobicContact CE1-CE1 3.47Å; Y17-Y81 VanDerWaalsContact CE1-CE1 3.47Å; Y17-Y81 HydrophobicContact CE1-CE2 4.47Å; Y17-Y81 AromaticContact CE1-CG 3.66Å; Y17-Y81 HydrophobicContact CE1-CG 3.66Å; Y17-Y81 HydrophobicContact CE2-CD1 4.3Å; Y17-Y81 AromaticContact CE2-CG 4Å; Y17-Y81 HydrophobicContact CE2-CG 4Å; Y17-Y81 HydrophobicContact CG-CD1 4.03Å; Y17-Y81 AromaticContact CG-CD2 3.49Å; Y17-Y81 HydrophobicContact CG-CD2 3.49Å; Y17-Y81 VanDerWaalsContact CG-CD2 3.49Å; Y17-Y81 HydrophobicContact CG-CE1 4.3Å; Y17-Y81 AromaticContact CG-CE2 3.81Å; Y17-Y81 HydrophobicContact CG-CE2 3.81Å; Y17-Y81 AromaticContact CG-CG 3.6Å; Y17-Y81 HydrophobicContact CG-CG 3.6Å; Y17-Y81 AromaticContact CZ-CD1 3.73Å; Y17-Y81 AromaticContact CZ-CG 3.9Å; Q20-Y81 PolarHBondContact OE1-OH 2.86Å; H21-Y81 AromaticContact CD2-CE2 3.93Å; H21-Y81 AromaticContact NE2-CE2 3.4Å; H21-Y81 WeakPolarHBondContact NE2-CE2 3.48Å; H21-Y81 AromaticContact NE2-CZ 3.52Å; H21-Y81 PolarHBondContact NE2-OH 3.34Å; V77-Y81 VanDerWaalsContact O-CB 3.27Å; V77-Y81 WeakPolarHBondContact O-CB 3.37Å; V77-Y81 PolarHBondContact O-N 2.96Å; A78-Y81 PolarHBondContact O-N 3.24Å; Y81-E83 PolarHBondContact O-N 3.34Å; Y81-I84 HydrophobicContact CD1-CG2 4.3Å; Y81-I84 HydrophobicContact CE1-CD1 4.38Å; Y81-I84 HydrophobicContact CE1-CG2 3.99Å; Y81-I84 HydrophobicContact CE2-CD1 4.35Å; Y81-I84 VanDerWaalsContact O-CB 3.31Å; Y81-I84 WeakPolarHBondContact O-CB 3.45Å; Y81-I84 WeakPolarHBondContact O-CG2 3.24Å; Y81-I84 PolarHBondContact O-N 3.46Å; Y81-I84 WeakPolarHBondContact OH-CD1 3.16Å; Y81-F101 AromaticContact CD2-CD2 3.89Å; Y81-F101 HydrophobicContact CD2-CD2 3.89Å; Y81-F101 HydrophobicContact CD2-CE2 4.23Å; Y81-F101 HydrophobicContact CE2-CD2 4Å; Y81-F101 AromaticContact CE2-CE2 3.87Å; Y81-F101 HydrophobicContact CE2-CE2 3.87Å; Y81-V104 HydrophobicContact CD2-CG1 4.46Å; Y81-V105 HydrophobicContact CD2-CG1 4.22Å; Y81-V105 HydrophobicContact CE2-CG1 3.94Å; Y81-K148 WeakPolarHBondContact OH-CE 3.2Å; Y81-K148 PolarHBondContact OH-NZ 3.34Å |
| 82 | D | 98.4 | Very high | 96.6 | Very high | 82 Ų | 82 | 55.4 Ų | 55.4 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -58.4 | -21.6 | -178.9 | -167.1 | 59.6 | 0 | 0 | 0 | 113.2 | A78 I84 K85 | A78-D82 WeakPolarHBondContact O-CB 3.3Å; A78-D82 PolarHBondContact O-N 2.99Å; D82-I84 PolarHBondContact O-N 3.24Å; D82-K85 WeakPolarHBondContact O-CD 3.47Å; D82-K85 WeakPolarHBondContact O-CG 3.48Å; D82-K85 PolarHBondContact O-N 2.95Å; D82-K85 WeakPolarHBondContact OD2-CE 3.49Å; D82-K85 IonicContact OD2-NZ 2.69Å; D82-K85 PolarHBondContact OD2-NZ 2.77Å |
| 83 | E | 98.3 | Very high | 96.7 | Very high | 32 Ų | 32 | 50.8 Ų | 50.8 | 15% | 0.15 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -59.6 | -14.6 | 171.2 | -62.3 | -175.8 | 168.6 | 0 | 0 | 113.8 | Y81 K85 D86 Y87 K97 T98 G99 H100 F101 | Y81-E83 PolarHBondContact O-N 3.34Å; E83-K85 PolarHBondContact O-N 3.34Å; E83-K85 VanDerWaalsContact O-N 3.11Å; E83-D86 PolarHBondContact O-N 3.23Å; E83-Y87 PolarHBondContact O-N 3.17Å; E83-K97 WeakPolarHBondContact CB-O 3.18Å; E83-K97 VanDerWaalsContact CG-O 3.25Å; E83-K97 WeakPolarHBondContact CG-O 3.34Å; E83-T98 VanDerWaalsContact OE2-CA 3.25Å; E83-T98 WeakPolarHBondContact OE2-CA 3.47Å; E83-G99 PolarHBondContact OE2-N 3.12Å; E83-H100 IonicContact OE1-CE1 3.71Å; E83-H100 IonicContact OE1-CG 3.51Å; E83-H100 IonicContact OE1-ND1 2.71Å; E83-H100 PolarHBondContact OE1-ND1 2.9Å; E83-H100 WeakPolarHBondContact OE2-CA 3.43Å; E83-H100 WeakPolarHBondContact OE2-CB 3.49Å; E83-H100 IonicContact OE2-CG 3.84Å; E83-H100 PolarHBondContact OE2-N 3.47Å; E83-H100 IonicContact OE2-ND1 3.82Å; E83-F101 HydrophobicContact CB-CB 3.68Å; E83-F101 PolarHBondContact OE2-N 2.69Å; E83-F101 VanDerWaalsContact OE2-N 3.14Å |
| 84 | I | 97.9 | Very high | 96.9 | Very high | 29 Ų | 29 | 56.6 Ų | 56.6 | 15% | 0.149 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -52.3 | -31.1 | 171 | -169.8 | 173.5 | 0 | 0 | 0 | 112.7 | Y81 D82 D86 Y87 F89 F101 | Y81-I84 HydrophobicContact CD1-CG2 4.3Å; Y81-I84 HydrophobicContact CE1-CD1 4.38Å; Y81-I84 HydrophobicContact CE1-CG2 3.99Å; Y81-I84 HydrophobicContact CE2-CD1 4.35Å; Y81-I84 VanDerWaalsContact O-CB 3.31Å; Y81-I84 WeakPolarHBondContact O-CB 3.45Å; Y81-I84 WeakPolarHBondContact O-CG2 3.24Å; Y81-I84 PolarHBondContact O-N 3.46Å; Y81-I84 WeakPolarHBondContact OH-CD1 3.16Å; D82-I84 PolarHBondContact O-N 3.24Å; I84-D86 PolarHBondContact O-N 2.78Å; I84-Y87 PolarHBondContact O-N 2.98Å; I84-F89 HydrophobicContact CD1-CE2 4.41Å; I84-F89 HydrophobicContact CD1-CZ 4.16Å; I84-F89 HydrophobicContact CG1-CE2 4.06Å; I84-F89 HydrophobicContact CG1-CZ 4.03Å; I84-F101 HydrophobicContact CB-CD1 4.46Å; I84-F101 HydrophobicContact CB-CD2 3.72Å; I84-F101 HydrophobicContact CB-CE2 3.77Å; I84-F101 HydrophobicContact CB-CG 4.1Å; I84-F101 HydrophobicContact CB-CZ 4.2Å; I84-F101 HydrophobicContact CD1-CE2 3.79Å; I84-F101 HydrophobicContact CD1-CZ 4.08Å; I84-F101 HydrophobicContact CG1-CD2 4.22Å; I84-F101 HydrophobicContact CG1-CE1 4.32Å; I84-F101 HydrophobicContact CG1-CE2 3.74Å; I84-F101 HydrophobicContact CG1-CZ 3.81Å |
| 85 | K | 97 | Very high | 96.8 | Very high | 138 Ų | 138 | 56 Ų | 56 | 60% | 0.6 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -63.1 | -24 | 178.6 | 75 | -164.5 | 174.2 | -170.4 | 0 | 113 | D82 E83 | D82-K85 WeakPolarHBondContact O-CD 3.47Å; D82-K85 WeakPolarHBondContact O-CG 3.48Å; D82-K85 PolarHBondContact O-N 2.95Å; D82-K85 WeakPolarHBondContact OD2-CE 3.49Å; D82-K85 IonicContact OD2-NZ 2.69Å; D82-K85 PolarHBondContact OD2-NZ 2.77Å; E83-K85 PolarHBondContact O-N 3.34Å; E83-K85 VanDerWaalsContact O-N 3.11Å |
| 86 | D | 97.4 | Very high | 96.6 | Very high | 89 Ų | 89 | 56.7 Ų | 56.7 | 48% | 0.476 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -100.4 | -4.4 | -178.1 | -62.4 | -52.1 | 0 | 0 | 0 | 112 | E83 I84 T98 | E83-D86 PolarHBondContact O-N 3.23Å; I84-D86 PolarHBondContact O-N 2.78Å; D86-T98 HydrophobicContact CB-CG2 4.16Å |
| 87 | Y | 97.7 | Very high | 96.4 | Very high | 12 Ų | 12 | 64.8 Ų | 64.8 | 5% | 0.047 | 34% | 0.343 | C | S | . | . | trans | -93 | 118.6 | -178.2 | -170 | -99.1 | 0 | 0 | 0 | 113 | E83 I84 F89 G93 Q95 T98 F101 T102 V145 | E83-Y87 PolarHBondContact O-N 3.17Å; I84-Y87 PolarHBondContact O-N 2.98Å; Y87-F89 AromaticContact CD1-CD1 3.86Å; Y87-F89 HydrophobicContact CD1-CD1 3.86Å; Y87-F89 HydrophobicContact CD1-CD2 4.02Å; Y87-F89 AromaticContact CD1-CE1 3.81Å; Y87-F89 HydrophobicContact CD1-CE1 3.81Å; Y87-F89 AromaticContact CD1-CE2 3.99Å; Y87-F89 HydrophobicContact CD1-CE2 3.99Å; Y87-F89 AromaticContact CD1-CG 3.96Å; Y87-F89 HydrophobicContact CD1-CG 3.96Å; Y87-F89 AromaticContact CD1-CZ 3.88Å; Y87-F89 HydrophobicContact CD1-CZ 3.88Å; Y87-F89 AromaticContact CE1-CD1 3.72Å; Y87-F89 HydrophobicContact CE1-CD1 3.72Å; Y87-F89 AromaticContact CE1-CE1 3.9Å; Y87-F89 HydrophobicContact CE1-CE1 3.9Å; Y87-F89 HydrophobicContact CE1-CG 4.11Å; Y87-F89 HydrophobicContact CE1-CZ 4.44Å; Y87-F89 PolarHBondContact O-N 3.07Å; Y87-G93 WeakPolarHBondContact CE2-O 3.38Å; Y87-G93 PolarHBondContact OH-N 3Å; Y87-Q95 HydrophobicContact CD2-CB 4.38Å; Y87-Q95 HydrophobicContact CD2-CG 4.28Å; Y87-Q95 HydrophobicContact CE2-CG 4.22Å; Y87-T98 HydrophobicContact CD2-CG2 3.98Å; Y87-T98 WeakPolarHBondContact CD2-OG1 3.32Å; Y87-T98 HydrophobicContact CG-CG2 4.46Å; Y87-F101 AromaticContact CD1-CE1 3.82Å; Y87-F101 HydrophobicContact CD1-CE1 3.82Å; Y87-F101 HydrophobicContact CD2-CD1 4.47Å; Y87-F101 HydrophobicContact CD2-CE1 4.35Å; Y87-F101 HydrophobicContact CE1-CE1 4.42Å; Y87-F101 HydrophobicContact CG-CD1 4.14Å; Y87-F101 AromaticContact CG-CE1 3.77Å; Y87-F101 HydrophobicContact CG-CE1 3.77Å; Y87-T102 HydrophobicContact CD2-CG2 3.96Å; Y87-T102 HydrophobicContact CE2-CG2 3.69Å; Y87-V145 HydrophobicContact CD1-CG1 4.34Å; Y87-V145 HydrophobicContact CE1-CG1 3.66Å | ||
| 88 | D | 96.7 | Very high | 96.3 | Very high | 61 Ų | 61 | 64.8 Ų | 64.8 | 33% | 0.326 | 34% | 0.343 | S | S | . | . | trans | -86.9 | 100.7 | 174.8 | -177.7 | -0.7 | 0 | 0 | 0 | 111.2 | S90 K91 Q95 | D88-S90 VanDerWaalsContact CG-OG 3.23Å; D88-S90 PolarHBondContact O-N 3.03Å; D88-S90 VanDerWaalsContact O-N 3.16Å; D88-S90 WeakPolarHBondContact OD1-CA 3.36Å; D88-S90 VanDerWaalsContact OD1-CB 3.26Å; D88-S90 WeakPolarHBondContact OD1-CB 3.5Å; D88-S90 PolarHBondContact OD1-N 3.45Å; D88-S90 PolarHBondContact OD1-OG 3.28Å; D88-S90 PolarHBondContact OD2-OG 3.1Å; D88-K91 CarbonylContact O-C 3.57Å; D88-K91 PolarHBondContact O-N 2.96Å; D88-K91 IonicContact OD2-NZ 3.99Å; D88-Q95 PolarHBondContact O-NE2 3.46Å | ||
| 89 | F | 95.9 | Very high | 96.3 | Very high | 71 Ų | 71 | 64 Ų | 64 | 31% | 0.311 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17.5 | 177.3 | -68.1 | -87.1 | 0 | 0 | 0 | 114 | I84 Y87 K91 F101 V145 L146 P147 | I84-F89 HydrophobicContact CD1-CE2 4.41Å; I84-F89 HydrophobicContact CD1-CZ 4.16Å; I84-F89 HydrophobicContact CG1-CE2 4.06Å; I84-F89 HydrophobicContact CG1-CZ 4.03Å; Y87-F89 AromaticContact CD1-CD1 3.86Å; Y87-F89 HydrophobicContact CD1-CD1 3.86Å; Y87-F89 HydrophobicContact CD1-CD2 4.02Å; Y87-F89 AromaticContact CD1-CE1 3.81Å; Y87-F89 HydrophobicContact CD1-CE1 3.81Å; Y87-F89 AromaticContact CD1-CE2 3.99Å; Y87-F89 HydrophobicContact CD1-CE2 3.99Å; Y87-F89 AromaticContact CD1-CG 3.96Å; Y87-F89 HydrophobicContact CD1-CG 3.96Å; Y87-F89 AromaticContact CD1-CZ 3.88Å; Y87-F89 HydrophobicContact CD1-CZ 3.88Å; Y87-F89 AromaticContact CE1-CD1 3.72Å; Y87-F89 HydrophobicContact CE1-CD1 3.72Å; Y87-F89 AromaticContact CE1-CE1 3.9Å; Y87-F89 HydrophobicContact CE1-CE1 3.9Å; Y87-F89 HydrophobicContact CE1-CG 4.11Å; Y87-F89 HydrophobicContact CE1-CZ 4.44Å; Y87-F89 PolarHBondContact O-N 3.07Å; F89-K91 VanDerWaalsContact C-N 3.25Å; F89-K91 PolarHBondContact O-N 3.32Å; F89-F101 HydrophobicContact CE1-CZ 4.23Å; F89-F101 HydrophobicContact CZ-CE1 4.22Å; F89-F101 AromaticContact CZ-CZ 3.8Å; F89-F101 HydrophobicContact CZ-CZ 3.8Å; F89-V145 HydrophobicContact CE1-CG1 4.26Å; F89-L146 WeakPolarHBondContact CE1-O 3.26Å; F89-P147 HydrophobicContact CD1-CB 4.03Å; F89-P147 HydrophobicContact CE1-CB 4.35Å; F89-P147 HydrophobicContact CG-CB 4.32Å |
| 90 | S | 95.6 | Very high | 96.3 | Very high | 93 Ų | 93 | 63.6 Ų | 63.6 | 65% | 0.65 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -16.2 | 175.2 | 78 | 0 | 0 | 0 | 0 | 113 | D88 P92 | D88-S90 VanDerWaalsContact CG-OG 3.23Å; D88-S90 PolarHBondContact O-N 3.03Å; D88-S90 VanDerWaalsContact O-N 3.16Å; D88-S90 WeakPolarHBondContact OD1-CA 3.36Å; D88-S90 VanDerWaalsContact OD1-CB 3.26Å; D88-S90 WeakPolarHBondContact OD1-CB 3.5Å; D88-S90 PolarHBondContact OD1-N 3.45Å; D88-S90 PolarHBondContact OD1-OG 3.28Å; D88-S90 PolarHBondContact OD2-OG 3.1Å; S90-P92 VanDerWaalsContact C-CD 3.48Å; S90-P92 WeakPolarHBondContact O-CD 3.21Å |
| 91 | K | 94.2 | Very high | 96.3 | Very high | 144 Ų | 144 | 63.4 Ų | 63.4 | 63% | 0.626 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -125 | 69 | 179.5 | -65.8 | 177.1 | -170.1 | 164 | 0 | 110.1 | D88 F89 G93 Q95 | D88-K91 CarbonylContact O-C 3.57Å; D88-K91 PolarHBondContact O-N 2.96Å; D88-K91 IonicContact OD2-NZ 3.99Å; F89-K91 VanDerWaalsContact C-N 3.25Å; F89-K91 PolarHBondContact O-N 3.32Å; K91-G93 PolarHBondContact O-N 3.44Å; K91-Q95 PolarHBondContact O-NE2 2.79Å |
| 92 | P | 92.6 | Very high | 96.3 | Very high | 51 Ų | 51 | 62.9 Ų | 62.9 | 33% | 0.331 | 33% | 0.327 | S | S | . | . | trans | -57.4 | 134.2 | -178.5 | 25.5 | -34.7 | 0 | 0 | 0 | 110.7 | S90 E142 | S90-P92 VanDerWaalsContact C-CD 3.48Å; S90-P92 WeakPolarHBondContact O-CD 3.21Å; P92-E142 HydrophobicContact CB-CG 3.65Å; P92-E142 HydrophobicContact CG-CG 3.48Å; P92-E142 VanDerWaalsContact CG-CG 3.48Å; P92-E142 WeakPolarHBondContact CG-OE1 3.34Å | ||
| 93 | G | 94.4 | Very high | 96.3 | Very high | 18 Ų | 18 | 59 Ų | 59 | 19% | 0.186 | 31% | 0.306 | C | S | . | . | S | Bend | trans | 151.3 | 179.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y87 K91 Q95 Y141 | Y87-G93 WeakPolarHBondContact CE2-O 3.38Å; Y87-G93 PolarHBondContact OH-N 3Å; K91-G93 PolarHBondContact O-N 3.44Å; G93-Q95 PolarHBondContact O-N 2.87Å; G93-Y141 VanDerWaalsContact C-CE1 3.47Å; G93-Y141 VanDerWaalsContact CA-CG 3.41Å; G93-Y141 VanDerWaalsContact O-CD1 3.25Å; G93-Y141 WeakPolarHBondContact O-CD1 3.48Å; G93-Y141 VanDerWaalsContact O-CE1 3.26Å; G93-Y141 WeakPolarHBondContact O-CE1 3.27Å |
| 94 | H | 94.6 | Very high | 96.3 | Very high | 122 Ų | 122 | 57.5 Ų | 57.5 | 57% | 0.565 | 30% | 0.299 | S | S | * | . | trans | -64.2 | 124.3 | 170.6 | 178.2 | 79.9 | 0 | 0 | 0 | 109.9 | T136 Y141 | H94-T136 HydrophobicContact CB-CG2 4.05Å; H94-Y141 HydrophobicContact CB-CE2 4.29Å | ||
| 95 | Q | 95.1 | Very high | 96.3 | Very high | 28 Ų | 28 | 56.2 Ų | 56.2 | 13% | 0.131 | 29% | 0.293 | C | S | . | . | trans | -123.4 | 145.2 | 174.9 | -60.1 | -179.9 | 27.6 | 0 | 0 | 109.2 | Y87 D88 K91 G93 K97 T98 | Y87-Q95 HydrophobicContact CD2-CB 4.38Å; Y87-Q95 HydrophobicContact CD2-CG 4.28Å; Y87-Q95 HydrophobicContact CE2-CG 4.22Å; D88-Q95 PolarHBondContact O-NE2 3.46Å; K91-Q95 PolarHBondContact O-NE2 2.79Å; G93-Q95 PolarHBondContact O-N 2.87Å; Q95-K97 PolarHBondContact O-N 3.37Å; Q95-T98 HydrophobicContact CB-CG2 4.01Å; Q95-T98 PolarHBondContact O-N 3.22Å; Q95-T98 PolarHBondContact O-OG1 3.41Å; Q95-T98 VanDerWaalsContact O-OG1 3.05Å | ||
| 96 | P | 93.5 | Very high | 96.4 | Very high | 107 Ų | 107 | 49.8 Ų | 49.8 | 70% | 0.695 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 136.5 | 177.5 | -23.3 | 33.4 | 0 | 0 | 0 | 111.3 | T98 | P96-T98 PolarHBondContact O-N 2.94Š|
| 97 | K | 93.2 | Very high | 96.5 | Very high | 172 Ų | 172 | 49.7 Ų | 49.7 | 75% | 0.748 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 23 | 176.5 | -51 | 178.2 | 178.3 | 179.1 | 0 | 115.5 | E83 Q95 | E83-K97 WeakPolarHBondContact CB-O 3.18Å; E83-K97 VanDerWaalsContact CG-O 3.25Å; E83-K97 WeakPolarHBondContact CG-O 3.34Å; Q95-K97 PolarHBondContact O-N 3.37Å |
| 98 | T | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -119.1 | 3.4 | 174.3 | 72.5 | 0 | 0 | 0 | 0 | 113.3 | E83 D86 Y87 Q95 P96 H100 F101 T102 | E83-T98 VanDerWaalsContact OE2-CA 3.25Å; E83-T98 WeakPolarHBondContact OE2-CA 3.47Å; D86-T98 HydrophobicContact CB-CG2 4.16Å; Y87-T98 HydrophobicContact CD2-CG2 3.98Å; Y87-T98 WeakPolarHBondContact CD2-OG1 3.32Å; Y87-T98 HydrophobicContact CG-CG2 4.46Å; Q95-T98 HydrophobicContact CB-CG2 4.01Å; Q95-T98 PolarHBondContact O-N 3.22Å; Q95-T98 PolarHBondContact O-OG1 3.41Å; Q95-T98 VanDerWaalsContact O-OG1 3.05Å; P96-T98 PolarHBondContact O-N 2.94Å; T98-H100 VanDerWaalsContact C-N 3.33Å; T98-H100 PolarHBondContact O-N 2.91Å; T98-F101 PolarHBondContact O-N 3.35Å; T98-T102 VanDerWaalsContact O-CG2 3.29Å; T98-T102 WeakPolarHBondContact O-CG2 2.8Å; T98-T102 PolarHBondContact O-N 3.29Å; T98-T102 PolarHBondContact O-OG1 3.01Å | ||
| 99 | G | 97.1 | Very high | 96.6 | Very high | 19 Ų | 19 | 49.6 Ų | 49.6 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.7 | -34.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E83 T102 Q103 N134 | E83-G99 PolarHBondContact OE2-N 3.12Å; G99-T102 WeakPolarHBondContact CA-OG1 3.46Å; G99-T102 PolarHBondContact O-OG1 3Å; G99-T102 VanDerWaalsContact O-OG1 3.08Å; G99-Q103 WeakPolarHBondContact O-CB 3.2Å; G99-Q103 PolarHBondContact O-N 3.48Å; G99-Q103 VanDerWaalsContact O-N 3.16Å; G99-N134 PolarHBondContact O-ND2 2.91Å |
| 100 | H | 98.2 | Very high | 96.7 | Very high | 52 Ų | 52 | 49.6 Ų | 49.6 | 24% | 0.241 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -72.8 | -44.6 | 178.7 | -55.3 | 129.8 | 0 | 0 | 0 | 110.5 | N59 W80 E83 T98 T102 Q103 V104 | N59-H100 PolarHBondContact ND2-O 2.92Å; N59-H100 VanDerWaalsContact ND2-O 3.11Å; N59-H100 WeakPolarHBondContact OD1-CA 3.39Å; N59-H100 PolarHBondContact OD1-CD2 2.87Å; W80-H100 HydrophobicContact CB-CB 3.6Å; W80-H100 AromaticContact CD1-CD2 4Å; W80-H100 AromaticContact CD1-CG 3.54Å; W80-H100 AromaticContact CD1-ND1 3.79Å; W80-H100 HydrophobicContact CG-CB 3.7Å; E83-H100 IonicContact OE1-CE1 3.71Å; E83-H100 IonicContact OE1-CG 3.51Å; E83-H100 IonicContact OE1-ND1 2.71Å; E83-H100 PolarHBondContact OE1-ND1 2.9Å; E83-H100 WeakPolarHBondContact OE2-CA 3.43Å; E83-H100 WeakPolarHBondContact OE2-CB 3.49Å; E83-H100 IonicContact OE2-CG 3.84Å; E83-H100 PolarHBondContact OE2-N 3.47Å; E83-H100 IonicContact OE2-ND1 3.82Å; T98-H100 VanDerWaalsContact C-N 3.33Å; T98-H100 PolarHBondContact O-N 2.91Å; H100-T102 PolarHBondContact O-N 2.88Å; H100-Q103 PolarHBondContact O-N 2.9Å; H100-V104 WeakPolarHBondContact O-CG2 3.48Å; H100-V104 PolarHBondContact O-N 2.78Å |
| 101 | F | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.5 | -51.5 | 174.8 | 155.7 | -107.7 | 0 | 0 | 0 | 111 | H21 W80 Y81 E83 I84 Y87 F89 T98 Q103 V104 V105 V145 | H21-F101 AromaticContact CE1-CE2 3.87Å; H21-F101 AromaticContact CE1-CZ 3.97Å; H21-F101 AromaticContact NE2-CE2 3.95Å; W80-F101 VanDerWaalsContact O-CA 3.32Å; W80-F101 WeakPolarHBondContact O-CA 3.47Å; W80-F101 WeakPolarHBondContact O-CB 3.21Å; W80-F101 PolarHBondContact O-N 3.09Å; W80-F101 VanDerWaalsContact O-N 3.15Å; Y81-F101 AromaticContact CD2-CD2 3.89Å; Y81-F101 HydrophobicContact CD2-CD2 3.89Å; Y81-F101 HydrophobicContact CD2-CE2 4.23Å; Y81-F101 HydrophobicContact CE2-CD2 4Å; Y81-F101 AromaticContact CE2-CE2 3.87Å; Y81-F101 HydrophobicContact CE2-CE2 3.87Å; E83-F101 HydrophobicContact CB-CB 3.68Å; E83-F101 PolarHBondContact OE2-N 2.69Å; E83-F101 VanDerWaalsContact OE2-N 3.14Å; I84-F101 HydrophobicContact CB-CD1 4.46Å; I84-F101 HydrophobicContact CB-CD2 3.72Å; I84-F101 HydrophobicContact CB-CE2 3.77Å; I84-F101 HydrophobicContact CB-CG 4.1Å; I84-F101 HydrophobicContact CB-CZ 4.2Å; I84-F101 HydrophobicContact CD1-CE2 3.79Å; I84-F101 HydrophobicContact CD1-CZ 4.08Å; I84-F101 HydrophobicContact CG1-CD2 4.22Å; I84-F101 HydrophobicContact CG1-CE1 4.32Å; I84-F101 HydrophobicContact CG1-CE2 3.74Å; I84-F101 HydrophobicContact CG1-CZ 3.81Å; Y87-F101 AromaticContact CD1-CE1 3.82Å; Y87-F101 HydrophobicContact CD1-CE1 3.82Å; Y87-F101 HydrophobicContact CD2-CD1 4.47Å; Y87-F101 HydrophobicContact CD2-CE1 4.35Å; Y87-F101 HydrophobicContact CE1-CE1 4.42Å; Y87-F101 HydrophobicContact CG-CD1 4.14Å; Y87-F101 AromaticContact CG-CE1 3.77Å; Y87-F101 HydrophobicContact CG-CE1 3.77Å; F89-F101 HydrophobicContact CE1-CZ 4.23Å; F89-F101 HydrophobicContact CZ-CE1 4.22Å; F89-F101 AromaticContact CZ-CZ 3.8Å; F89-F101 HydrophobicContact CZ-CZ 3.8Å; T98-F101 PolarHBondContact O-N 3.35Å; F101-Q103 PolarHBondContact O-N 2.86Å; F101-V104 WeakPolarHBondContact O-CB 3.25Å; F101-V104 PolarHBondContact O-N 2.78Å; F101-V104 VanDerWaalsContact O-N 3.08Å; F101-V105 HydrophobicContact CD2-CG1 4.17Å; F101-V105 HydrophobicContact CD2-CG2 4.28Å; F101-V105 HydrophobicContact CE1-CG2 4.36Å; F101-V105 HydrophobicContact CE2-CB 4.36Å; F101-V105 HydrophobicContact CE2-CG1 3.72Å; F101-V105 HydrophobicContact CE2-CG2 3.69Å; F101-V105 HydrophobicContact CZ-CG2 3.72Å; F101-V105 PolarHBondContact O-N 2.88Å; F101-V105 VanDerWaalsContact O-N 3.13Å; F101-V145 HydrophobicContact CE1-CG1 3.72Å; F101-V145 HydrophobicContact CZ-CG1 3.98Å |
| 102 | T | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62 | -34.9 | -176.2 | 51.6 | 0 | 0 | 0 | 0 | 111.5 | Y87 T98 G99 H100 W106 N134 Y141 V145 | Y87-T102 HydrophobicContact CD2-CG2 3.96Å; Y87-T102 HydrophobicContact CE2-CG2 3.69Å; T98-T102 VanDerWaalsContact O-CG2 3.29Å; T98-T102 WeakPolarHBondContact O-CG2 2.8Å; T98-T102 PolarHBondContact O-N 3.29Å; T98-T102 PolarHBondContact O-OG1 3.01Å; G99-T102 WeakPolarHBondContact CA-OG1 3.46Å; G99-T102 PolarHBondContact O-OG1 3Å; G99-T102 VanDerWaalsContact O-OG1 3.08Å; H100-T102 PolarHBondContact O-N 2.88Å; T102-W106 WeakPolarHBondContact O-CA 3.27Å; T102-W106 WeakPolarHBondContact O-CB 3.5Å; T102-W106 PolarHBondContact O-N 3.27Å; T102-W106 VanDerWaalsContact O-N 3.07Å; T102-N134 VanDerWaalsContact CB-OD1 3.29Å; T102-N134 WeakPolarHBondContact CB-OD1 3.15Å; T102-N134 PolarHBondContact OG1-OD1 2.95Å; T102-Y141 HydrophobicContact CG2-CD1 4.39Å; T102-Y141 HydrophobicContact CG2-CE1 3.9Å; T102-V145 HydrophobicContact CG2-CG1 4.07Å; T102-V145 HydrophobicContact CG2-CG2 3.98Å |
| 103 | Q | 98.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.009 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.7 | -42 | 173.9 | 179.6 | 59.2 | 85.4 | 0 | 0 | 112.7 | G99 H100 F101 V105 W106 T109 Y129 G133 | G99-Q103 WeakPolarHBondContact O-CB 3.2Å; G99-Q103 PolarHBondContact O-N 3.48Å; G99-Q103 VanDerWaalsContact O-N 3.16Å; H100-Q103 PolarHBondContact O-N 2.9Å; F101-Q103 PolarHBondContact O-N 2.86Å; Q103-V105 VanDerWaalsContact C-N 3.32Å; Q103-V105 PolarHBondContact O-N 3.49Å; Q103-W106 WeakPolarHBondContact O-CB 3.34Å; Q103-W106 PolarHBondContact O-N 3.46Å; Q103-T109 PolarHBondContact NE2-OG1 2.77Å; Q103-Y129 HydrophobicContact CG-CD1 4.13Å; Q103-Y129 HydrophobicContact CG-CD2 3.29Å; Q103-Y129 HydrophobicContact CG-CE1 4.23Å; Q103-Y129 HydrophobicContact CG-CE2 3.43Å; Q103-Y129 VanDerWaalsContact CG-CE2 3.43Å; Q103-Y129 HydrophobicContact CG-CG 3.68Å; Q103-G133 VanDerWaalsContact OE1-CA 3.3Å |
| 104 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.7 | -46.1 | 178.2 | 166.6 | 0 | 0 | 0 | 0 | 110.9 | R18 V77 W80 Y81 H100 F101 | R18-V104 WeakPolarHBondContact CD-O 3.25Å; R18-V104 WeakPolarHBondContact CG-O 3.46Å; R18-V104 PolarHBondContact NH1-O 2.86Å; V77-V104 HydrophobicContact CG1-CG1 4.43Å; W80-V104 HydrophobicContact CB-CG2 4.01Å; W80-V104 HydrophobicContact CE3-CG2 4.25Å; Y81-V104 HydrophobicContact CD2-CG1 4.46Å; H100-V104 WeakPolarHBondContact O-CG2 3.48Å; H100-V104 PolarHBondContact O-N 2.78Å; F101-V104 WeakPolarHBondContact O-CB 3.25Å; F101-V104 PolarHBondContact O-N 2.78Å; F101-V104 VanDerWaalsContact O-N 3.08Å |
| 105 | V | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 1.8 | -176 | -56.1 | 0 | 0 | 0 | 0 | 114.2 | H21 Y81 F101 Q103 K107 V145 | H21-V105 HydrophobicContact CB-CB 4.27Å; H21-V105 HydrophobicContact CB-CG1 4.41Å; Y81-V105 HydrophobicContact CD2-CG1 4.22Å; Y81-V105 HydrophobicContact CE2-CG1 3.94Å; F101-V105 HydrophobicContact CD2-CG1 4.17Å; F101-V105 HydrophobicContact CD2-CG2 4.28Å; F101-V105 HydrophobicContact CE1-CG2 4.36Å; F101-V105 HydrophobicContact CE2-CB 4.36Å; F101-V105 HydrophobicContact CE2-CG1 3.72Å; F101-V105 HydrophobicContact CE2-CG2 3.69Å; F101-V105 HydrophobicContact CZ-CG2 3.72Å; F101-V105 PolarHBondContact O-N 2.88Å; F101-V105 VanDerWaalsContact O-N 3.13Å; Q103-V105 VanDerWaalsContact C-N 3.32Å; Q103-V105 PolarHBondContact O-N 3.49Å; V105-K107 PolarHBondContact O-N 3.32Å; V105-V145 HydrophobicContact CG2-CG1 4.03Å |
| 106 | W | 98.7 | Very high | 97.9 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.015 | 17% | 0.169 | C | C | . | . | trans | -58.3 | 109.8 | -173.8 | -162.1 | -97.5 | 0 | 0 | 0 | 111.8 | R18 T102 Q103 S108 T109 G133 N134 I135 Y140 Y141 N144 V145 | R18-W106 PolarHBondContact NH1-O 3.13Å; R18-W106 PolarHBondContact NH2-O 3.42Å; T102-W106 WeakPolarHBondContact O-CA 3.27Å; T102-W106 WeakPolarHBondContact O-CB 3.5Å; T102-W106 PolarHBondContact O-N 3.27Å; T102-W106 VanDerWaalsContact O-N 3.07Å; Q103-W106 WeakPolarHBondContact O-CB 3.34Å; Q103-W106 PolarHBondContact O-N 3.46Å; W106-S108 VanDerWaalsContact C-N 3.34Å; W106-S108 PolarHBondContact O-N 2.95Å; W106-T109 WeakPolarHBondContact O-CB 3.35Å; W106-T109 PolarHBondContact O-N 3.3Å; W106-T109 VanDerWaalsContact O-N 3.15Å; W106-G133 VanDerWaalsContact CD2-CA 3.5Å; W106-N134 VanDerWaalsContact CZ3-N 3.34Å; W106-I135 HydrophobicContact CZ2-CB 4.25Å; W106-Y140 HydrophobicContact CZ2-CD1 4.25Å; W106-Y141 HydrophobicContact CH2-CD2 4.09Å; W106-Y141 HydrophobicContact CH2-CE2 4.18Å; W106-Y141 HydrophobicContact CH2-CG 4.31Å; W106-Y141 HydrophobicContact CZ3-CD1 4.02Å; W106-Y141 HydrophobicContact CZ3-CD2 4.28Å; W106-Y141 AromaticContact CZ3-CE1 3.98Å; W106-Y141 HydrophobicContact CZ3-CE1 3.98Å; W106-Y141 HydrophobicContact CZ3-CE2 4.26Å; W106-Y141 HydrophobicContact CZ3-CG 4.17Å; W106-N144 HydrophobicContact CD2-CB 3.44Å; W106-N144 VanDerWaalsContact CD2-CB 3.44Å; W106-N144 VanDerWaalsContact CE2-CB 3.43Å; W106-N144 VanDerWaalsContact CE2-CG 3.41Å; W106-N144 HydrophobicContact CE3-CB 3.75Å; W106-N144 HydrophobicContact CG-CB 3.95Å; W106-N144 HydrophobicContact CH2-CB 4.05Å; W106-N144 HydrophobicContact CZ2-CB 3.77Å; W106-N144 HydrophobicContact CZ3-CB 4.04Å; W106-N144 PolarHBondContact NE1-OD1 3.43Å; W106-V145 HydrophobicContact CE3-CG2 3.74Å; W106-V145 HydrophobicContact CZ3-CG2 3.8Å | ||
| 107 | K | 98.4 | Very high | 98.1 | Very high | 87 Ų | 87 | 26.5 Ų | 26.5 | 38% | 0.378 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -41.5 | -168.8 | -171.1 | 177.5 | -179 | 177.3 | 0 | 114 | A23 V105 T109 N143 N144 L146 | A23-K107 HydrophobicContact CB-CB 4.49Å; V105-K107 PolarHBondContact O-N 3.32Å; K107-T109 VanDerWaalsContact C-N 3.33Å; K107-N143 WeakPolarHBondContact CD-O 3.45Å; K107-N144 HydrophobicContact CB-CB 4.37Å; K107-N144 PolarHBondContact N-O 2.84Å; K107-N144 PolarHBondContact N-OD1 3.41Å; K107-L146 HydrophobicContact CD-CD1 4.17Å |
| 108 | S | 98.3 | Very high | 98.3 | Very high | 70 Ų | 70 | 20.9 Ų | 20.9 | 49% | 0.49 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -12.1 | -177.4 | -70.8 | 0 | 0 | 0 | 0 | 114.5 | W106 N144 | W106-S108 VanDerWaalsContact C-N 3.34Å; W106-S108 PolarHBondContact O-N 2.95Å; S108-N144 WeakPolarHBondContact CB-OD1 3.27Å; S108-N144 PolarHBondContact N-OD1 2.94Å; S108-N144 PolarHBondContact OG-OD1 3.01Å |
| 109 | T | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -70.9 | 133.8 | 172 | -63.8 | 0 | 0 | 0 | 0 | 109 | R18 L26 Q103 W106 K107 Y129 P131 | R18-T109 PolarHBondContact NH2-O 3.44Å; L26-T109 HydrophobicContact CD2-CG2 3.8Å; L26-T109 WeakPolarHBondContact CD2-O 3.36Å; Q103-T109 PolarHBondContact NE2-OG1 2.77Å; W106-T109 WeakPolarHBondContact O-CB 3.35Å; W106-T109 PolarHBondContact O-N 3.3Å; W106-T109 VanDerWaalsContact O-N 3.15Å; K107-T109 VanDerWaalsContact C-N 3.33Å; T109-Y129 HydrophobicContact CG2-CD1 4.01Å; T109-Y129 HydrophobicContact CG2-CG 4.35Å; T109-P131 WeakPolarHBondContact CB-O 3.34Å; T109-P131 PolarHBondContact OG1-O 2.98Å | ||
| 110 | T | 98.6 | Very high | 98.1 | Very high | 72 Ų | 72 | 24.3 Ų | 24.3 | 44% | 0.442 | 14% | 0.137 | S | C | . | . | trans | -121.7 | -29.7 | -175.8 | 50.5 | 0 | 0 | 0 | 0 | 113.1 | L26 T27 R130 | L26-T110 WeakPolarHBondContact CA-O 3.31Å; T27-T110 PolarHBondContact N-O 3.32Å; T27-T110 VanDerWaalsContact N-O 3.09Å; T110-R130 PolarHBondContact N-O 3.49Å; T110-R130 VanDerWaalsContact N-O 3.09Å; T110-R130 PolarHBondContact OG1-O 2.98Å | ||
| 111 | E | 98.8 | Very high | 98 | Very high | 54 Ų | 54 | 24.8 Ų | 24.8 | 25% | 0.252 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 145.7 | -175.3 | -59.4 | -177.7 | 102.5 | 0 | 0 | 111.1 | T27 N29 L32 Y129 R130 | T27-E111 CarbonylContact O-C 3.56Å; T27-E111 WeakPolarHBondContact O-CA 3.33Å; N29-E111 HydrophobicContact CB-CB 4.09Å; N29-E111 PolarHBondContact ND2-OE1 3.07Å; L32-E111 HydrophobicContact CD1-CB 4.07Å; E111-Y129 WeakPolarHBondContact O-CA 3.27Å; E111-R130 HydrophobicContact CB-CB 4.14Å; E111-R130 PolarHBondContact N-O 3.33Å; E111-R130 PolarHBondContact O-N 2.61Å; E111-R130 WeakPolarHBondContact OE2-CD 3.47Å |
| 112 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 146.5 | -178.9 | -173.9 | 64.3 | 0 | 0 | 0 | 110 | F10 L11 H14 L26 T27 Y28 N29 Q128 Y129 | F10-L112 HydrophobicContact CD1-CD2 3.82Å; F10-L112 HydrophobicContact CE1-CD1 4.04Å; F10-L112 HydrophobicContact CE1-CD2 3.72Å; F10-L112 HydrophobicContact CE1-CG 4.05Å; L11-L112 HydrophobicContact CD1-CD2 3.86Å; H14-L112 HydrophobicContact CB-CD2 4.48Å; L26-L112 HydrophobicContact CB-CB 4.2Å; L26-L112 HydrophobicContact CD1-CB 4.14Å; L26-L112 HydrophobicContact CD1-CD1 4.24Å; L26-L112 HydrophobicContact CD1-CD2 4.21Å; L26-L112 HydrophobicContact CD1-CG 4.45Å; T27-L112 PolarHBondContact O-N 3.35Å; Y28-L112 CarbonylContact C-O 3.55Å; Y28-L112 VanDerWaalsContact CA-O 3.29Å; Y28-L112 WeakPolarHBondContact CA-O 3.37Å; Y28-L112 HydrophobicContact CD1-CB 4.33Å; Y28-L112 HydrophobicContact CD1-CG 4.42Å; Y28-L112 WeakPolarHBondContact CD1-O 3.37Å; Y28-L112 HydrophobicContact CE1-CB 4.45Å; Y28-L112 HydrophobicContact CE1-CD2 4.01Å; Y28-L112 HydrophobicContact CE1-CG 4.06Å; N29-L112 PolarHBondContact N-O 2.87Å; L112-Q128 CarbonylContact C-O 3.57Å; L112-Q128 WeakPolarHBondContact CA-O 3.41Å; L112-Y129 HydrophobicContact CD1-CD1 3.56Å; L112-Y129 HydrophobicContact CD1-CE1 3.28Å; L112-Y129 HydrophobicContact CD1-CG 4.37Å |
| 113 | G | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 151.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | N33 G127 Q128 | N33-G113 VanDerWaalsContact OD1-CA 3.31Å; N33-G113 WeakPolarHBondContact OD1-CA 3.46Å; G113-G127 CarbonylContact O-C 3.54Å; G113-G127 WeakPolarHBondContact O-CA 3.3Å; G113-Q128 PolarHBondContact N-O 3.43Å; G113-Q128 PolarHBondContact O-N 2.86Å |
| 114 | V | 98.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.018 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 137.5 | 177.9 | 68.9 | 0 | 0 | 0 | 0 | 112.1 | A2 F6 K7 F10 Y28 N33 V125 I126 | A2-V114 HydrophobicContact CB-CG1 4.35Å; F6-V114 HydrophobicContact CE1-CG2 3.83Å; K7-V114 HydrophobicContact CG-CG1 3.84Å; F10-V114 HydrophobicContact CD1-CB 3.86Å; F10-V114 HydrophobicContact CD1-CG1 4.39Å; F10-V114 HydrophobicContact CD1-CG2 3.83Å; F10-V114 HydrophobicContact CD2-CG2 3.79Å; F10-V114 HydrophobicContact CE1-CB 3.67Å; F10-V114 HydrophobicContact CE1-CG2 3.65Å; F10-V114 HydrophobicContact CE2-CG2 3.67Å; F10-V114 HydrophobicContact CG-CB 4.35Å; F10-V114 HydrophobicContact CG-CG2 3.87Å; F10-V114 HydrophobicContact CZ-CB 4.05Å; F10-V114 HydrophobicContact CZ-CG2 3.56Å; Y28-V114 HydrophobicContact CE1-CB 4.19Å; Y28-V114 HydrophobicContact CE1-CG1 3.69Å; N33-V114 PolarHBondContact OD1-N 2.83Å; V114-V125 HydrophobicContact CG2-CG1 4.07Å; V114-I126 CarbonylContact C-O 3.48Å; V114-I126 VanDerWaalsContact CA-O 3.25Å; V114-I126 WeakPolarHBondContact CA-O 3.12Å |
| 115 | G | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 140.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V125 I126 | G115-V125 CarbonylContact O-C 3.49Å; G115-V125 WeakPolarHBondContact O-CA 3.36Å; G115-I126 PolarHBondContact N-O 2.85Å; G115-I126 PolarHBondContact O-N 3.46Å |
| 116 | L | 98.4 | Very high | 97.8 | Very high | 13 Ų | 13 | 25.4 Ų | 25.4 | 7% | 0.068 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 126.8 | 175.6 | 168.5 | 69.2 | 0 | 0 | 0 | 110.5 | M1 A2 F6 Q37 P71 V123 F124 V125 | M1-L116 VanDerWaalsContact CA-O 3.28Å; M1-L116 WeakPolarHBondContact CA-O 3.15Å; M1-L116 PolarHBondContact N-O 3.44Å; A2-L116 HydrophobicContact CB-CB 3.94Å; F6-L116 HydrophobicContact CD2-CD2 3.82Å; F6-L116 HydrophobicContact CE1-CB 4.24Å; F6-L116 HydrophobicContact CE2-CD1 4.23Å; F6-L116 HydrophobicContact CE2-CD2 3.84Å; F6-L116 HydrophobicContact CE2-CG 4.47Å; F6-L116 HydrophobicContact CG-CD2 4.16Å; F6-L116 HydrophobicContact CZ-CB 4.28Å; F6-L116 HydrophobicContact CZ-CD1 4.23Å; F6-L116 HydrophobicContact CZ-CD2 4.21Å; F6-L116 HydrophobicContact CZ-CG 4.46Å; Q37-L116 PolarHBondContact NE2-O 2.87Å; Q37-L116 VanDerWaalsContact OE1-N 3.13Å; Q37-L116 PolarHBondContact OE1-O 3Å; P71-L116 HydrophobicContact CB-CD1 4.06Å; P71-L116 HydrophobicContact CG-CD1 3.66Å; P71-L116 HydrophobicContact CG-CD2 3.83Å; P71-L116 HydrophobicContact CG-CG 4.34Å; L116-V123 HydrophobicContact CD1-CG1 3.81Å; L116-F124 WeakPolarHBondContact CA-O 3.42Å; L116-V125 HydrophobicContact CD1-CG2 3.77Å |
| 117 | A | 97.9 | Very high | 97.8 | Very high | 8 Ų | 8 | 25.2 Ų | 25.2 | 7% | 0.066 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 133.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | A40 L44 F124 | A40-A117 HydrophobicContact CB-CB 3.84Å; A40-A117 WeakPolarHBondContact O-CB 3.43Å; L44-A117 HydrophobicContact CB-CB 3.89Å; L44-A117 HydrophobicContact CD2-CB 3.88Å; L44-A117 HydrophobicContact CG-CB 4.49Å; A117-F124 PolarHBondContact N-O 3.12Å; A117-F124 PolarHBondContact O-N 2.87Å |
| 118 | T | 96.9 | Very high | 97.8 | Very high | 54 Ų | 54 | 21.1 Ų | 21.1 | 33% | 0.331 | 12% | 0.124 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 146.1 | 177.8 | 176.3 | 0 | 0 | 0 | 0 | 111.6 | P71 G120 T122 | P71-T118 HydrophobicContact CG-CG2 4.23Å; T118-G120 PolarHBondContact OG1-N 2.96Å; T118-T122 WeakPolarHBondContact CA-O 3.44Å; T118-T122 WeakPolarHBondContact CB-O 3.22Å; T118-T122 PolarHBondContact OG1-O 3.05Å; T118-T122 VanDerWaalsContact OG1-O 3.04Å |
| 119 | D | 95.6 | Very high | 97.8 | Very high | 76 Ų | 76 | 17.8 Ų | 17.8 | 41% | 0.406 | 10% | 0.101 | S | C | . | . | trans | -103 | 11.4 | 167 | 62.7 | 21.1 | 0 | 0 | 0 | 112.4 | L44 K47 H121 T122 | L44-D119 HydrophobicContact CD1-CB 4.47Å; K47-D119 IonicContact NZ-OD2 2.69Å; K47-D119 PolarHBondContact NZ-OD2 2.9Å; D119-H121 VanDerWaalsContact C-N 3.3Å; D119-H121 PolarHBondContact OD1-N 3.15Å; D119-T122 PolarHBondContact N-O 3.47Å; D119-T122 PolarHBondContact OD1-N 3.47Å | ||
| 120 | G | 94.3 | Very high | 97.8 | Very high | 15 Ų | 15 | 21 Ų | 21 | 16% | 0.155 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 92 | -28.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K68 V69 T118 | K68-G120 CarbonylContact C-O 3.47Å; K68-G120 VanDerWaalsContact CA-O 3.23Å; K68-G120 WeakPolarHBondContact CA-O 3.27Å; V69-G120 PolarHBondContact N-O 2.92Å; T118-G120 PolarHBondContact OG1-N 2.96Å |
| 121 | H | 95.4 | Very high | 97.8 | Very high | 62 Ų | 62 | 20.9 Ų | 20.9 | 29% | 0.287 | 11% | 0.114 | S | C | . | . | S | Bend | trans | -104.6 | -41.5 | 178.7 | -69.2 | -82.5 | 0 | 0 | 0 | 112 | F64 N65 S66 D119 | F64-H121 CarbonylContact C-O 3.47Å; F64-H121 VanDerWaalsContact CA-O 3.31Å; F64-H121 WeakPolarHBondContact CA-O 3.39Å; F64-H121 HydrophobicContact CD2-CB 4.49Å; F64-H121 HydrophobicContact CE2-CB 4.17Å; N65-H121 PolarHBondContact N-O 3.18Å; N65-H121 PolarHBondContact O-ND1 3.04Å; S66-H121 PolarHBondContact O-CE1 3.47Å; S66-H121 VanDerWaalsContact O-CE1 3.24Å; S66-H121 PolarHBondContact O-ND1 3.43Å; D119-H121 VanDerWaalsContact C-N 3.3Å; D119-H121 PolarHBondContact OD1-N 3.15Å |
| 122 | T | 96.1 | Very high | 97.7 | Very high | 11 Ų | 11 | 19.1 Ų | 19.1 | 7% | 0.067 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 131.1 | 178 | -49 | 0 | 0 | 0 | 0 | 109 | L44 Y62 S63 T118 D119 F124 | L44-T122 HydrophobicContact CD1-CG2 3.9Å; Y62-T122 HydrophobicContact CD2-CG2 4.24Å; Y62-T122 HydrophobicContact CE2-CG2 3.63Å; S63-T122 WeakPolarHBondContact O-CA 3.27Å; T118-T122 WeakPolarHBondContact CA-O 3.44Å; T118-T122 WeakPolarHBondContact CB-O 3.22Å; T118-T122 PolarHBondContact OG1-O 3.05Å; T118-T122 VanDerWaalsContact OG1-O 3.04Å; D119-T122 PolarHBondContact N-O 3.47Å; D119-T122 PolarHBondContact OD1-N 3.47Å; T122-F124 HydrophobicContact CG2-CD2 4.04Å; T122-F124 HydrophobicContact CG2-CE2 3.59Å; T122-F124 HydrophobicContact CG2-CZ 4.4Å |
| 123 | V | 97.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 130.5 | 176.8 | -178 | 0 | 0 | 0 | 0 | 109 | Y62 S63 V69 P71 L116 V125 | Y62-V123 WeakPolarHBondContact CA-O 3.31Å; S63-V123 PolarHBondContact N-O 3.5Å; S63-V123 PolarHBondContact O-N 3.18Å; V69-V123 HydrophobicContact CG2-CG2 4.01Å; P71-V123 HydrophobicContact CB-CG1 3.63Å; P71-V123 HydrophobicContact CB-CG2 4.15Å; P71-V123 HydrophobicContact CG-CG1 4.17Å; P71-V123 HydrophobicContact CG-CG2 4.46Å; L116-V123 HydrophobicContact CD1-CG1 3.81Å; V123-V125 HydrophobicContact CG1-CG2 3.98Å |
| 124 | F | 98.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.009 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 127.5 | 165.4 | -72.3 | -83.6 | 0 | 0 | 0 | 109.8 | L43 L44 T48 L49 F61 Y62 L116 A117 T122 | L43-F124 HydrophobicContact CB-CD1 3.79Å; L43-F124 HydrophobicContact CB-CD2 4.18Å; L43-F124 HydrophobicContact CB-CE1 3.81Å; L43-F124 HydrophobicContact CB-CE2 4.22Å; L43-F124 HydrophobicContact CB-CG 3.96Å; L43-F124 HydrophobicContact CB-CZ 4.03Å; L43-F124 HydrophobicContact CD1-CD1 3.75Å; L43-F124 HydrophobicContact CD1-CE1 4.07Å; L43-F124 HydrophobicContact CD1-CG 4.45Å; L43-F124 HydrophobicContact CG-CD1 4.45Å; L44-F124 HydrophobicContact CB-CD2 3.94Å; L44-F124 HydrophobicContact CB-CE2 4.36Å; L44-F124 HydrophobicContact CD1-CD2 4.01Å; L44-F124 HydrophobicContact CD1-CE2 4.22Å; T48-F124 WeakPolarHBondContact O-CZ 3.17Å; L49-F124 HydrophobicContact CD1-CE1 4.01Å; F61-F124 WeakPolarHBondContact O-CA 3.36Å; Y62-F124 AromaticContact CD2-CD1 4Å; Y62-F124 HydrophobicContact CD2-CD1 4Å; Y62-F124 AromaticContact CD2-CE1 3.39Å; Y62-F124 HydrophobicContact CD2-CE1 3.39Å; Y62-F124 AromaticContact CD2-CE2 3.98Å; Y62-F124 HydrophobicContact CD2-CE2 3.98Å; Y62-F124 AromaticContact CD2-CZ 3.39Å; Y62-F124 HydrophobicContact CD2-CZ 3.39Å; Y62-F124 HydrophobicContact CE2-CE1 4.21Å; Y62-F124 HydrophobicContact CE2-CE2 4.19Å; Y62-F124 AromaticContact CE2-CZ 3.75Å; Y62-F124 HydrophobicContact CE2-CZ 3.75Å; Y62-F124 HydrophobicContact CG-CE1 4.12Å; Y62-F124 HydrophobicContact CG-CZ 4.47Å; L116-F124 WeakPolarHBondContact CA-O 3.42Å; A117-F124 PolarHBondContact N-O 3.12Å; A117-F124 PolarHBondContact O-N 2.87Å; T122-F124 HydrophobicContact CG2-CD2 4.04Å; T122-F124 HydrophobicContact CG2-CE2 3.59Å; T122-F124 HydrophobicContact CG2-CZ 4.4Å |
| 125 | V | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 128.1 | 171 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | F6 F10 F61 A76 W80 V114 G115 L116 V123 | F6-V125 HydrophobicContact CE1-CG1 4.19Å; F6-V125 HydrophobicContact CE2-CG2 4.49Å; F6-V125 HydrophobicContact CZ-CG1 3.89Å; F6-V125 HydrophobicContact CZ-CG2 3.78Å; F10-V125 HydrophobicContact CD2-CG1 4.22Å; F10-V125 HydrophobicContact CE2-CG1 3.66Å; F10-V125 HydrophobicContact CZ-CG1 4.48Å; F61-V125 HydrophobicContact CB-CB 4.11Å; F61-V125 HydrophobicContact CD1-CB 4.19Å; F61-V125 HydrophobicContact CD1-CG2 4.05Å; F61-V125 PolarHBondContact N-O 3.13Å; F61-V125 PolarHBondContact O-N 3.04Å; A76-V125 HydrophobicContact CB-CB 3.91Å; A76-V125 HydrophobicContact CB-CG1 3.86Å; A76-V125 HydrophobicContact CB-CG2 4.23Å; W80-V125 HydrophobicContact CH2-CG1 4.4Å; V114-V125 HydrophobicContact CG2-CG1 4.07Å; G115-V125 CarbonylContact O-C 3.49Å; G115-V125 WeakPolarHBondContact O-CA 3.36Å; L116-V125 HydrophobicContact CD1-CG2 3.77Å; V123-V125 HydrophobicContact CG1-CG2 3.98Å |
| 126 | I | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 124.4 | -179.1 | -50.8 | -59.2 | 0 | 0 | 0 | 108.1 | A36 A40 L43 E58 N59 V60 V114 G115 Q128 | A36-I126 HydrophobicContact CB-CB 4.14Å; A36-I126 HydrophobicContact CB-CG2 4.01Å; A40-I126 HydrophobicContact CB-CG1 3.72Å; L43-I126 HydrophobicContact CD1-CD1 3.67Å; E58-I126 HydrophobicContact CG-CG2 3.96Å; N59-I126 WeakPolarHBondContact O-CA 3.25Å; V60-I126 HydrophobicContact CB-CD1 4.12Å; V60-I126 HydrophobicContact CG1-CD1 3.71Å; V60-I126 HydrophobicContact CG2-CD1 3.84Å; V114-I126 CarbonylContact C-O 3.48Å; V114-I126 VanDerWaalsContact CA-O 3.25Å; V114-I126 WeakPolarHBondContact CA-O 3.12Å; G115-I126 PolarHBondContact N-O 2.85Å; G115-I126 PolarHBondContact O-N 3.46Å; I126-Q128 HydrophobicContact CG2-CG 4.21Å |
| 127 | G | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 123.8 | 170 | 0 | 0 | 0 | 0 | 0 | 109.5 | E58 N59 G113 Y129 | E58-G127 CarbonylContact C-O 3.59Å; E58-G127 VanDerWaalsContact CA-O 3.3Å; E58-G127 WeakPolarHBondContact CA-O 3.4Å; N59-G127 PolarHBondContact N-O 2.87Å; N59-G127 PolarHBondContact O-N 3.17Å; G113-G127 CarbonylContact O-C 3.54Å; G113-G127 WeakPolarHBondContact O-CA 3.3Å; G127-Y129 VanDerWaalsContact O-CE2 3.24Å; G127-Y129 WeakPolarHBondContact O-CE2 3.44Å |
| 128 | Q | 98.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.009 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 143.2 | 174.4 | -72.9 | -174.9 | -12.4 | 0 | 0 | 111.2 | L32 A35 A36 S52 G57 E58 L112 G113 I126 | L32-Q128 HydrophobicContact CB-CB 4.46Å; L32-Q128 HydrophobicContact CD2-CB 4.25Å; A35-Q128 VanDerWaalsContact CB-OE1 3.29Å; A36-Q128 HydrophobicContact CB-CB 4.47Å; A36-Q128 HydrophobicContact CB-CG 4.12Å; S52-Q128 PolarHBondContact OG-NE2 2.79Å; G57-Q128 CarbonylContact O-C 3.53Å; G57-Q128 WeakPolarHBondContact O-CA 3.29Å; E58-Q128 HydrophobicContact CB-CG 4.43Å; E58-Q128 HydrophobicContact CG-CG 4.11Å; E58-Q128 PolarHBondContact OE2-NE2 2.77Å; L112-Q128 CarbonylContact C-O 3.57Å; L112-Q128 WeakPolarHBondContact CA-O 3.41Å; G113-Q128 PolarHBondContact N-O 3.43Å; G113-Q128 PolarHBondContact O-N 2.86Å; I126-Q128 HydrophobicContact CG2-CG 4.21Å |
| 129 | Y | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 128.3 | -163.7 | -59.5 | -88.9 | 0 | 0 | 0 | 111.1 | H14 L26 G57 N59 W80 Q103 T109 E111 L112 G127 P131 G132 | H14-Y129 AromaticContact CD2-CE1 3.92Å; H14-Y129 AromaticContact NE2-CE1 3.65Å; H14-Y129 AromaticContact NE2-CZ 3.68Å; H14-Y129 PolarHBondContact NE2-OH 3.24Å; L26-Y129 HydrophobicContact CD1-CD1 4.44Å; L26-Y129 HydrophobicContact CD1-CE1 4.45Å; G57-Y129 PolarHBondContact N-O 2.82Å; G57-Y129 PolarHBondContact O-N 2.98Å; N59-Y129 HydrophobicContact CB-CE2 3.91Å; N59-Y129 PolarHBondContact ND2-OH 3.04Å; W80-Y129 WeakPolarHBondContact CZ3-OH 3.47Å; Q103-Y129 HydrophobicContact CG-CD1 4.13Å; Q103-Y129 HydrophobicContact CG-CD2 3.29Å; Q103-Y129 HydrophobicContact CG-CE1 4.23Å; Q103-Y129 HydrophobicContact CG-CE2 3.43Å; Q103-Y129 VanDerWaalsContact CG-CE2 3.43Å; Q103-Y129 HydrophobicContact CG-CG 3.68Å; T109-Y129 HydrophobicContact CG2-CD1 4.01Å; T109-Y129 HydrophobicContact CG2-CG 4.35Å; E111-Y129 WeakPolarHBondContact O-CA 3.27Å; L112-Y129 HydrophobicContact CD1-CD1 3.56Å; L112-Y129 HydrophobicContact CD1-CE1 3.28Å; L112-Y129 HydrophobicContact CD1-CG 4.37Å; G127-Y129 VanDerWaalsContact O-CE2 3.24Å; G127-Y129 WeakPolarHBondContact O-CE2 3.44Å; Y129-P131 CarbonylContact O-C 3.45Å; Y129-G132 WeakPolarHBondContact O-CA 3.29Å; Y129-G132 PolarHBondContact O-N 2.93Å |
| 130 | R | 98.5 | Very high | 96.2 | Very high | 67 Ų | 67 | 42.4 Ų | 42.4 | 25% | 0.253 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 130.9 | 178.3 | -170 | -178.8 | -65.5 | 162.8 | -2.5 | 111.9 | E31 L32 D56 T110 E111 | E31-R130 IonicContact OE2-NH1 3.23Å; E31-R130 PolarHBondContact OE2-NH1 3.39Å; L32-R130 HydrophobicContact CD1-CB 3.8Å; L32-R130 HydrophobicContact CD2-CB 4.48Å; L32-R130 VanDerWaalsContact CD2-NH2 3.3Å; D56-R130 WeakPolarHBondContact OD1-CB 3.19Å; D56-R130 WeakPolarHBondContact OD1-CG 3.28Å; D56-R130 IonicContact OD1-CZ 3.62Å; D56-R130 IonicContact OD1-NE 2.78Å; D56-R130 PolarHBondContact OD1-NE 3.37Å; D56-R130 IonicContact OD1-NH2 3.59Å; D56-R130 IonicContact OD2-CZ 3.57Å; D56-R130 IonicContact OD2-NE 3.52Å; D56-R130 IonicContact OD2-NH2 2.77Å; D56-R130 PolarHBondContact OD2-NH2 3.36Å; T110-R130 PolarHBondContact N-O 3.49Å; T110-R130 VanDerWaalsContact N-O 3.09Å; T110-R130 PolarHBondContact OG1-O 2.98Å; E111-R130 HydrophobicContact CB-CB 4.14Å; E111-R130 PolarHBondContact N-O 3.33Å; E111-R130 PolarHBondContact O-N 2.61Å; E111-R130 WeakPolarHBondContact OE2-CD 3.47Å |
| 131 | P | 98.1 | Very high | 96.3 | Very high | 70 Ų | 70 | 41.9 Ų | 41.9 | 46% | 0.455 | 22% | 0.219 | S | C | . | . | S | Bend | cis | -54.5 | 151.8 | -19.9 | -21.9 | 33.7 | 0 | 0 | 0 | 112.3 | T109 Y129 | T109-P131 WeakPolarHBondContact CB-O 3.34Å; T109-P131 PolarHBondContact OG1-O 2.98Å; Y129-P131 CarbonylContact O-C 3.45Å |
| 132 | G | 97.3 | Very high | 96.4 | Very high | 17 Ų | 17 | 43.1 Ų | 43.1 | 18% | 0.175 | 23% | 0.225 | C | C | . | . | trans | -62.2 | 146.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y129 | Y129-G132 WeakPolarHBondContact O-CA 3.29Å; Y129-G132 PolarHBondContact O-N 2.93Å | ||
| 133 | G | 96.9 | Very high | 96.4 | Very high | 13 Ų | 13 | 47.8 Ų | 47.8 | 13% | 0.134 | 25% | 0.249 | C | C | . | . | trans | -91.5 | -162 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q103 W106 I135 | Q103-G133 VanDerWaalsContact OE1-CA 3.3Å; W106-G133 VanDerWaalsContact CD2-CA 3.5Å; G133-I135 PolarHBondContact O-N 3.27Å; G133-I135 VanDerWaalsContact O-N 3.1Å | ||
| 134 | N | 96.6 | Very high | 96.4 | Very high | 44 Ų | 44 | 48.1 Ų | 48.1 | 24% | 0.235 | 25% | 0.251 | C | S | . | . | trans | 58.3 | 25.7 | 173.3 | -60.7 | -18.7 | 0 | 0 | 0 | 115.2 | G99 T102 W106 T136 Y141 | G99-N134 PolarHBondContact O-ND2 2.91Å; T102-N134 VanDerWaalsContact CB-OD1 3.29Å; T102-N134 WeakPolarHBondContact CB-OD1 3.15Å; T102-N134 PolarHBondContact OG1-OD1 2.95Å; W106-N134 VanDerWaalsContact CZ3-N 3.34Å; N134-T136 PolarHBondContact O-N 3.31Å; N134-Y141 WeakPolarHBondContact CA-OH 3.41Å | ||
| 135 | I | 94.8 | Very high | 96.4 | Very high | 63 Ų | 63 | 48.4 Ų | 48.4 | 32% | 0.323 | 25% | 0.253 | S | S | . | . | trans | -70.1 | 120.6 | 175.1 | -60.5 | 166.9 | 0 | 0 | 0 | 108.6 | W106 G133 N137 Y140 Y141 | W106-I135 HydrophobicContact CZ2-CB 4.25Å; G133-I135 PolarHBondContact O-N 3.27Å; G133-I135 VanDerWaalsContact O-N 3.1Å; I135-N137 HydrophobicContact CG2-CB 3.97Å; I135-N137 PolarHBondContact O-N 2.9Å; I135-Y140 HydrophobicContact CB-CD1 3.74Å; I135-Y140 HydrophobicContact CB-CE1 4.23Å; I135-Y140 HydrophobicContact CB-CG 4.16Å; I135-Y140 HydrophobicContact CD1-CD1 3.93Å; I135-Y140 HydrophobicContact CD1-CE1 3.79Å; I135-Y140 HydrophobicContact CG1-CD1 4.44Å; I135-Y140 HydrophobicContact CG2-CD1 3.73Å; I135-Y140 HydrophobicContact CG2-CD2 4.38Å; I135-Y140 HydrophobicContact CG2-CE1 3.91Å; I135-Y140 HydrophobicContact CG2-CG 3.96Å; I135-Y140 WeakPolarHBondContact O-CB 3.45Å; I135-Y141 WeakPolarHBondContact O-CE2 3.28Å | ||
| 136 | T | 92.9 | Very high | 96.4 | Very high | 101 Ų | 101 | 50.6 Ų | 50.6 | 62% | 0.62 | 26% | 0.264 | S | S | * | . | trans | -83.7 | 6.5 | -173.9 | 57.6 | 0 | 0 | 0 | 0 | 114.4 | H94 N134 Y141 | H94-T136 HydrophobicContact CB-CG2 4.05Å; N134-T136 PolarHBondContact O-N 3.31Å; T136-Y141 HydrophobicContact CG2-CE2 4.43Å | ||
| 137 | N | 92.7 | Very high | 96.3 | Very high | 95 Ų | 95 | 54.4 Ų | 54.4 | 51% | 0.508 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -64.5 | 144.8 | 176 | -70.3 | 12.5 | 0 | 0 | 0 | 110.3 | I135 G139 Y140 | I135-N137 HydrophobicContact CG2-CB 3.97Å; I135-N137 PolarHBondContact O-N 2.9Å; N137-G139 PolarHBondContact O-N 3.43Å; N137-Y140 HydrophobicContact CB-CD2 3.45Å; N137-Y140 VanDerWaalsContact CB-CD2 3.45Å; N137-Y140 HydrophobicContact CB-CE2 3.55Å; N137-Y140 HydrophobicContact CB-CG 4.28Å; N137-Y140 WeakPolarHBondContact O-CB 3.36Å; N137-Y140 WeakPolarHBondContact O-CD2 3.27Å; N137-Y140 PolarHBondContact O-N 2.86Å; N137-Y140 VanDerWaalsContact O-N 3.1Å |
| 138 | K | 90.1 | Very high | 96.1 | Very high | 210 Ų | 210 | 59.9 Ų | 59.9 | 91% | 0.913 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 129.7 | -178.5 | -174.7 | 179.4 | -180 | -179.2 | 0 | 111.2 | Y140 | K138-Y140 VanDerWaalsContact C-N 3.34Š|
| 139 | G | 91.8 | Very high | 95.4 | Very high | 19 Ų | 19 | 67 Ų | 67 | 20% | 0.196 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | -11.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | N137 E142 N143 | N137-G139 PolarHBondContact O-N 3.43Å; G139-E142 WeakPolarHBondContact CA-OE2 3.4Å; G139-E142 PolarHBondContact N-OE2 2.92Å; G139-N143 WeakPolarHBondContact O-CB 3.23Å; G139-N143 VanDerWaalsContact O-CG 3.23Å; G139-N143 PolarHBondContact O-N 3.35Å; G139-N143 PolarHBondContact O-ND2 3.5Å |
| 140 | Y | 96.5 | Very high | 95.2 | Very high | 98 Ų | 98 | 70.4 Ų | 70.4 | 38% | 0.384 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -71.1 | -44.7 | -176.9 | -85.1 | -109.4 | 0 | 0 | 0 | 111.9 | W106 I135 N137 K138 N143 N144 | W106-Y140 HydrophobicContact CZ2-CD1 4.25Å; I135-Y140 HydrophobicContact CB-CD1 3.74Å; I135-Y140 HydrophobicContact CB-CE1 4.23Å; I135-Y140 HydrophobicContact CB-CG 4.16Å; I135-Y140 HydrophobicContact CD1-CD1 3.93Å; I135-Y140 HydrophobicContact CD1-CE1 3.79Å; I135-Y140 HydrophobicContact CG1-CD1 4.44Å; I135-Y140 HydrophobicContact CG2-CD1 3.73Å; I135-Y140 HydrophobicContact CG2-CD2 4.38Å; I135-Y140 HydrophobicContact CG2-CE1 3.91Å; I135-Y140 HydrophobicContact CG2-CG 3.96Å; I135-Y140 WeakPolarHBondContact O-CB 3.45Å; N137-Y140 HydrophobicContact CB-CD2 3.45Å; N137-Y140 VanDerWaalsContact CB-CD2 3.45Å; N137-Y140 HydrophobicContact CB-CE2 3.55Å; N137-Y140 HydrophobicContact CB-CG 4.28Å; N137-Y140 WeakPolarHBondContact O-CB 3.36Å; N137-Y140 WeakPolarHBondContact O-CD2 3.27Å; N137-Y140 PolarHBondContact O-N 2.86Å; N137-Y140 VanDerWaalsContact O-N 3.1Å; K138-Y140 VanDerWaalsContact C-N 3.34Å; Y140-N143 PolarHBondContact O-N 3.24Å; Y140-N144 VanDerWaalsContact O-CB 3.23Å; Y140-N144 WeakPolarHBondContact O-CB 3.38Å; Y140-N144 PolarHBondContact O-N 2.83Å; Y140-N144 PolarHBondContact O-ND2 3.05Å |
| 141 | Y | 97 | Very high | 95.1 | Very high | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.016 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 178.6 | -85.5 | -96.2 | 0 | 0 | 0 | 111.8 | G93 H94 T102 W106 N134 I135 T136 N143 N144 V145 | G93-Y141 VanDerWaalsContact C-CE1 3.47Å; G93-Y141 VanDerWaalsContact CA-CG 3.41Å; G93-Y141 VanDerWaalsContact O-CD1 3.25Å; G93-Y141 WeakPolarHBondContact O-CD1 3.48Å; G93-Y141 VanDerWaalsContact O-CE1 3.26Å; G93-Y141 WeakPolarHBondContact O-CE1 3.27Å; H94-Y141 HydrophobicContact CB-CE2 4.29Å; T102-Y141 HydrophobicContact CG2-CD1 4.39Å; T102-Y141 HydrophobicContact CG2-CE1 3.9Å; W106-Y141 HydrophobicContact CH2-CD2 4.09Å; W106-Y141 HydrophobicContact CH2-CE2 4.18Å; W106-Y141 HydrophobicContact CH2-CG 4.31Å; W106-Y141 HydrophobicContact CZ3-CD1 4.02Å; W106-Y141 HydrophobicContact CZ3-CD2 4.28Å; W106-Y141 AromaticContact CZ3-CE1 3.98Å; W106-Y141 HydrophobicContact CZ3-CE1 3.98Å; W106-Y141 HydrophobicContact CZ3-CE2 4.26Å; W106-Y141 HydrophobicContact CZ3-CG 4.17Å; N134-Y141 WeakPolarHBondContact CA-OH 3.41Å; I135-Y141 WeakPolarHBondContact O-CE2 3.28Å; T136-Y141 HydrophobicContact CG2-CE2 4.43Å; Y141-N143 VanDerWaalsContact C-N 3.25Å; Y141-N143 PolarHBondContact O-N 3.46Å; Y141-N144 PolarHBondContact O-N 3.34Å; Y141-V145 HydrophobicContact CD1-CG2 3.91Å; Y141-V145 HydrophobicContact CE1-CG2 4.46Å; Y141-V145 PolarHBondContact O-N 3.15Å |
| 142 | E | 96 | Very high | 94.9 | Very high | 88 Ų | 88 | 70.6 Ų | 70.6 | 41% | 0.411 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -57.4 | -39 | 176.3 | -66.3 | 84.4 | 164.5 | 0 | 0 | 112.4 | P92 G139 L146 | P92-E142 HydrophobicContact CB-CG 3.65Å; P92-E142 HydrophobicContact CG-CG 3.48Å; P92-E142 VanDerWaalsContact CG-CG 3.48Å; P92-E142 WeakPolarHBondContact CG-OE1 3.34Å; G139-E142 WeakPolarHBondContact CA-OE2 3.4Å; G139-E142 PolarHBondContact N-OE2 2.92Å; E142-L146 WeakPolarHBondContact O-CD2 3.28Å |
| 143 | N | 96.8 | Very high | 94.8 | Very high | 109 Ų | 109 | 73.8 Ų | 73.8 | 58% | 0.583 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -85.7 | -20.1 | -177.5 | -70.4 | -38 | 0 | 0 | 0 | 113.4 | K107 G139 Y140 Y141 | K107-N143 WeakPolarHBondContact CD-O 3.45Å; G139-N143 WeakPolarHBondContact O-CB 3.23Å; G139-N143 VanDerWaalsContact O-CG 3.23Å; G139-N143 PolarHBondContact O-N 3.35Å; G139-N143 PolarHBondContact O-ND2 3.5Å; Y140-N143 PolarHBondContact O-N 3.24Å; Y141-N143 VanDerWaalsContact C-N 3.25Å; Y141-N143 PolarHBondContact O-N 3.46Å |
| 144 | N | 98.1 | Very high | 94.6 | Very high | 8 Ų | 8 | 77.6 Ų | 77.6 | 4% | 0.043 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -114.7 | -22.9 | -170.7 | -73.7 | -80.1 | 0 | 0 | 0 | 115.5 | W106 K107 S108 Y140 Y141 | W106-N144 HydrophobicContact CD2-CB 3.44Å; W106-N144 VanDerWaalsContact CD2-CB 3.44Å; W106-N144 VanDerWaalsContact CE2-CB 3.43Å; W106-N144 VanDerWaalsContact CE2-CG 3.41Å; W106-N144 HydrophobicContact CE3-CB 3.75Å; W106-N144 HydrophobicContact CG-CB 3.95Å; W106-N144 HydrophobicContact CH2-CB 4.05Å; W106-N144 HydrophobicContact CZ2-CB 3.77Å; W106-N144 HydrophobicContact CZ3-CB 4.04Å; W106-N144 PolarHBondContact NE1-OD1 3.43Å; K107-N144 HydrophobicContact CB-CB 4.37Å; K107-N144 PolarHBondContact N-O 2.84Å; K107-N144 PolarHBondContact N-OD1 3.41Å; S108-N144 WeakPolarHBondContact CB-OD1 3.27Å; S108-N144 PolarHBondContact N-OD1 2.94Å; S108-N144 PolarHBondContact OG-OD1 3.01Å; Y140-N144 VanDerWaalsContact O-CB 3.23Å; Y140-N144 WeakPolarHBondContact O-CB 3.38Å; Y140-N144 PolarHBondContact O-N 2.83Å; Y140-N144 PolarHBondContact O-ND2 3.05Å; Y141-N144 PolarHBondContact O-N 3.34Å |
| 145 | V | 97.8 | Very high | 94.5 | Very high | 7 Ų | 7 | 79.8 Ų | 79.8 | 4% | 0.042 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -118.3 | 82.8 | -178.1 | -172.7 | 0 | 0 | 0 | 0 | 108.3 | Y87 F89 F101 T102 V105 W106 Y141 | Y87-V145 HydrophobicContact CD1-CG1 4.34Å; Y87-V145 HydrophobicContact CE1-CG1 3.66Å; F89-V145 HydrophobicContact CE1-CG1 4.26Å; F101-V145 HydrophobicContact CE1-CG1 3.72Å; F101-V145 HydrophobicContact CZ-CG1 3.98Å; T102-V145 HydrophobicContact CG2-CG1 4.07Å; T102-V145 HydrophobicContact CG2-CG2 3.98Å; V105-V145 HydrophobicContact CG2-CG1 4.03Å; W106-V145 HydrophobicContact CE3-CG2 3.74Å; W106-V145 HydrophobicContact CZ3-CG2 3.8Å; Y141-V145 HydrophobicContact CD1-CG2 3.91Å; Y141-V145 HydrophobicContact CE1-CG2 4.46Å; Y141-V145 PolarHBondContact O-N 3.15Å |
| 146 | L | 97.4 | Very high | 94.5 | Very high | 48 Ų | 48 | 81 Ų | 81 | 25% | 0.251 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -85.2 | 151.5 | -176.6 | -55.6 | -178.6 | 0 | 0 | 0 | 110.7 | H21 F89 K107 E142 | H21-L146 PolarHBondContact ND1-O 3.39Å; H21-L146 WeakPolarHBondContact O-CB 3.45Å; F89-L146 WeakPolarHBondContact CE1-O 3.26Å; K107-L146 HydrophobicContact CD-CD1 4.17Å; E142-L146 WeakPolarHBondContact O-CD2 3.28Å |
| 147 | P | 96.6 | Very high | 94.6 | Very high | 80 Ų | 80 | 79.5 Ų | 79.5 | 52% | 0.519 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 166.4 | 170.6 | 29.1 | -35.3 | 0 | 0 | 0 | 111.3 | F89 S149 | F89-P147 HydrophobicContact CD1-CB 4.03Å; F89-P147 HydrophobicContact CE1-CB 4.35Å; F89-P147 HydrophobicContact CG-CB 4.32Å; P147-S149 PolarHBondContact O-N 2.94Å |
| 148 | K | 95 | Very high | 94.7 | Very high | 115 Ų | 115 | 78.2 Ų | 78.2 | 50% | 0.5 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 136 | 172.1 | -71.5 | -176 | 173.7 | -174.9 | 0 | 110.6 | Q20 Y81 | Q20-K148 HydrophobicContact CB-CG 4.45Å; Q20-K148 CarbonylContact O-C 3.6Å; Q20-K148 VanDerWaalsContact O-CA 3.24Å; Q20-K148 WeakPolarHBondContact O-CA 3.42Å; Q20-K148 VanDerWaalsContact OE1-CE 3.28Å; Y81-K148 WeakPolarHBondContact OH-CE 3.2Å; Y81-K148 PolarHBondContact OH-NZ 3.34Å |
| 149 | S | 83.9 | Confident | 95.2 | Very high | 152 Ų | 152 | 66.2 Ų | 66.2 | 100% | 1.063 | 36% | 0.364 | S | S | * | . | trans | -89.4 | 0 | 170.8 | 62 | 0 | 0 | 0 | 0 | 112.3 | Q20 P147 | Q20-S149 PolarHBondContact O-N 3.42Å; Q20-S149 PolarHBondContact O-OG 2.64Å; P147-S149 PolarHBondContact O-N 2.94Å |
Retrieved 149 of 149 residues in 131.5 ms
(Link to these results)