| 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 | 88.9 | Confident | 90.3 | Very high | 38 Ų | 38 | 23.8 Ų | 23.8 | 19% | 0.187 | 12% | 0.122 | C | C | . | . | 0 | 158.5 | 0 | -59 | 103.7 | -147 | 0 | 0 | 110.9 | I12 V13 N14 K47 I48 G292 L293 M295 | M1-I12 HydrophobicContact CB-CG2 3.68Å; M1-I12 HydrophobicContact CG-CG2 3.95Å; M1-I12 HydrophobicContact SD-CG2 4.43Å; M1-V13 VanDerWaalsContact CA-O 3.23Å; M1-V13 WeakPolarHBondContact CA-O 3.35Å; M1-V13 WeakPolarHBondContact CB-O 3.35Å; M1-N14 HydrophobicContact CG-CB 3.84Å; M1-K47 WeakPolarHBondContact O-CA 3.38Å; M1-I48 HydrophobicContact CB-CG1 4.05Å; M1-I48 PolarHBondContact N-O 2.98Å; M1-I48 PolarHBondContact O-N 2.79Å; M1-I48 VanDerWaalsContact O-O 3.13Å; M1-G292 WeakPolarHBondContact CE-O 3.45Å; M1-L293 HydrophobicContact CG-CD2 4.44Å; M1-M295 HydrophobicContact CE-CE 3.83Å | |||
| 2 | D | 90.4 | Very high | 90.6 | Very high | 8 Ų | 8 | 21.8 Ų | 21.8 | 4% | 0.043 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 139.3 | 165.4 | -72 | -26.8 | 0 | 0 | 0 | 109.9 | I12 V13 C107 R109 H111 | D2-I12 WeakPolarHBondContact O-CA 3.08Å; D2-V13 PolarHBondContact N-O 2.75Å; D2-V13 PolarHBondContact O-N 3.09Å; D2-C107 PolarHBondContact OD1-SG 3.01Å; D2-C107 PolarHBondContact OD2-SG 3.19Å; D2-R109 WeakPolarHBondContact OD2-CD 3.4Å; D2-H111 IonicContact OD2-CE1 3.49Å; D2-H111 IonicContact OD2-NE2 3.46Å; D2-H111 PolarHBondContact OD2-NE2 3.41Å |
| 3 | L | 92.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 127.6 | 174.2 | 176 | 70.5 | 0 | 0 | 0 | 110.1 | F10 I12 L45 G46 I48 L67 L92 L102 L104 | L3-F10 HydrophobicContact CD1-CB 4.39Å; L3-I12 HydrophobicContact CD1-CD1 4.28Å; L3-I12 HydrophobicContact CD1-CG1 3.67Å; L3-L45 HydrophobicContact CD2-CB 4.07Å; L3-L45 HydrophobicContact CD2-CD1 3.77Å; L3-L45 HydrophobicContact CG-CB 4.16Å; L3-L45 HydrophobicContact CG-CD1 4.02Å; L3-L45 PolarHBondContact O-N 3.33Å; L3-G46 PolarHBondContact N-O 3.47Å; L3-I48 HydrophobicContact CB-CG2 4.38Å; L3-I48 HydrophobicContact CD2-CG2 4.5Å; L3-L67 HydrophobicContact CD1-CD1 4.12Å; L3-L67 HydrophobicContact CD2-CD1 4.03Å; L3-L92 HydrophobicContact CD1-CD1 4.37Å; L3-L92 HydrophobicContact CD2-CD1 4.17Å; L3-L102 HydrophobicContact CD2-CD1 4.34Å; L3-L104 HydrophobicContact CD2-CD1 3.76Å |
| 4 | I | 90.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 134.2 | -177.7 | -58.8 | 172.9 | 0 | 0 | 0 | 109.1 | F10 I11 V13 V36 P42 V43 I114 | I4-F10 WeakPolarHBondContact O-CA 3.46Å; I4-I11 HydrophobicContact CB-CB 4.42Å; I4-I11 PolarHBondContact N-O 3.09Å; I4-I11 PolarHBondContact O-N 3.18Å; I4-V13 HydrophobicContact CD1-CG2 4.07Å; I4-V36 HydrophobicContact CD1-CG1 3.74Å; I4-V36 HydrophobicContact CG2-CG1 4.46Å; I4-P42 HydrophobicContact CG2-CB 3.8Å; I4-V43 CarbonylContact C-O 3.47Å; I4-V43 WeakPolarHBondContact CA-O 3.29Å; I4-I114 HydrophobicContact CD1-CD1 4.04Å |
| 5 | E | 89.9 | Confident | 90.6 | Very high | 27 Ų | 27 | 22.1 Ų | 22.1 | 13% | 0.126 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 133 | 171.6 | -179 | 176.7 | -175.7 | 0 | 0 | 109.5 | F10 R23 P42 V43 L45 L99 K117 | E5-F10 HydrophobicContact CB-CD1 4.41Å; E5-F10 HydrophobicContact CB-CE1 4.46Å; E5-F10 HydrophobicContact CG-CD1 4.45Å; E5-F10 HydrophobicContact CG-CE1 4.13Å; E5-R23 IonicContact OE1-CZ 3.9Å; E5-R23 IonicContact OE1-NH1 2.76Å; E5-R23 PolarHBondContact OE1-NH1 3.2Å; E5-R23 IonicContact OE1-NH2 2.71Å; E5-P42 CarbonylContact O-C 3.5Å; E5-P42 WeakPolarHBondContact O-CA 3.23Å; E5-V43 PolarHBondContact N-O 3.33Å; E5-V43 PolarHBondContact O-N 3.49Å; E5-L45 HydrophobicContact CB-CD1 3.81Å; E5-L45 HydrophobicContact CB-CD2 4.08Å; E5-L45 HydrophobicContact CB-CG 3.86Å; E5-L99 VanDerWaalsContact CD-CD1 3.45Å; E5-L99 HydrophobicContact CG-CD1 4.43Å; E5-L99 WeakPolarHBondContact OE1-CD1 3.43Å; E5-K117 IonicContact OE2-NZ 3.5Å |
| 6 | T | 89.3 | Confident | 90.5 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.012 | 13% | 0.132 | C | C | . | . | trans | -123.8 | 176.2 | 162.7 | 66.8 | 0 | 0 | 0 | 0 | 108.4 | N8 F9 I11 R23 E39 P42 | T6-N8 VanDerWaalsContact C-N 3.26Å; T6-N8 PolarHBondContact O-N 2.72Å; T6-N8 PolarHBondContact OG1-N 3.24Å; T6-F9 PolarHBondContact N-O 3.1Å; T6-F9 WeakPolarHBondContact OG1-CA 3.45Å; T6-F9 PolarHBondContact OG1-N 3.39Å; T6-F9 PolarHBondContact OG1-O 3.06Å; T6-I11 HydrophobicContact CG2-CD1 3.79Å; T6-R23 WeakPolarHBondContact O-CD 3.45Å; T6-R23 PolarHBondContact O-NH1 3.29Å; T6-E39 HydrophobicContact CG2-CB 3.91Å; T6-P42 HydrophobicContact CG2-CB 4.13Å | ||
| 7 | N | 84.8 | Confident | 90.6 | Very high | 68 Ų | 68 | 22.4 Ų | 22.4 | 36% | 0.364 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -66.5 | -28.5 | 177.1 | -67.7 | -28.8 | 0 | 0 | 0 | 112.9 | W40 | N7-W40 WeakPolarHBondContact ND2-CZ3 3.32Š|
| 8 | N | 88.1 | Confident | 90.8 | Very high | 91 Ų | 91 | 21.2 Ų | 21.2 | 49% | 0.487 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -106.3 | -30 | -175.5 | -63.2 | -22.1 | 0 | 0 | 0 | 113.6 | T6 R23 | T6-N8 VanDerWaalsContact C-N 3.26Å; T6-N8 PolarHBondContact O-N 2.72Å; T6-N8 PolarHBondContact OG1-N 3.24Å; N8-R23 WeakPolarHBondContact O-CB 3.3Å; N8-R23 WeakPolarHBondContact O-CG 3.49Å; N8-R23 PolarHBondContact O-N 2.89Å |
| 9 | F | 92 | Very high | 91 | Very high | 27 Ų | 27 | 20.2 Ų | 20.2 | 12% | 0.118 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 147.3 | -171.5 | -53.6 | -75.4 | 0 | 0 | 0 | 112.6 | T6 I11 Y20 C21 D22 E39 | T6-F9 PolarHBondContact N-O 3.1Å; T6-F9 WeakPolarHBondContact OG1-CA 3.45Å; T6-F9 PolarHBondContact OG1-N 3.39Å; T6-F9 PolarHBondContact OG1-O 3.06Å; F9-I11 HydrophobicContact CB-CD1 4.48Å; F9-I11 HydrophobicContact CB-CG1 3.9Å; F9-Y20 HydrophobicContact CB-CD1 4.23Å; F9-Y20 HydrophobicContact CD1-CD1 4.35Å; F9-Y20 HydrophobicContact CD2-CD1 4.13Å; F9-Y20 AromaticContact CG-CD1 3.97Å; F9-Y20 HydrophobicContact CG-CD1 3.97Å; F9-C21 CarbonylContact C-O 3.37Å; F9-C21 VanDerWaalsContact CA-O 3.28Å; F9-C21 WeakPolarHBondContact CA-O 3.31Å; F9-D22 HydrophobicContact CD1-CB 4.18Å; F9-D22 HydrophobicContact CE1-CB 4.08Å; F9-E39 WeakPolarHBondContact CD2-OE1 3.48Å; F9-E39 WeakPolarHBondContact CD2-OE2 3.3Å; F9-E39 WeakPolarHBondContact CE2-OE1 3.46Å; F9-E39 WeakPolarHBondContact CE2-OE2 3.38Å |
| 10 | F | 92.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 137.8 | 147 | -59.6 | -73.7 | 0 | 0 | 0 | 108.4 | L3 I4 E5 C21 R23 L45 L92 L94 L99 | L3-F10 HydrophobicContact CD1-CB 4.39Å; I4-F10 WeakPolarHBondContact O-CA 3.46Å; E5-F10 HydrophobicContact CB-CD1 4.41Å; E5-F10 HydrophobicContact CB-CE1 4.46Å; E5-F10 HydrophobicContact CG-CD1 4.45Å; E5-F10 HydrophobicContact CG-CE1 4.13Å; F10-C21 HydrophobicContact CB-CB 4.37Å; F10-C21 PolarHBondContact N-O 3.08Å; F10-C21 WeakPolarHBondContact O-CB 3.45Å; F10-C21 PolarHBondContact O-N 3.14Å; F10-R23 HydrophobicContact CD2-CG 3.91Å; F10-R23 HydrophobicContact CE2-CG 3.82Å; F10-R23 HydrophobicContact CZ-CG 4.42Å; F10-L45 HydrophobicContact CD1-CD1 4.5Å; F10-L92 HydrophobicContact CD1-CD1 3.92Å; F10-L92 HydrophobicContact CD2-CD1 4.21Å; F10-L92 HydrophobicContact CE1-CD1 4.09Å; F10-L92 HydrophobicContact CE2-CB 4.31Å; F10-L92 HydrophobicContact CE2-CD1 4.37Å; F10-L92 HydrophobicContact CG-CD1 3.98Å; F10-L92 HydrophobicContact CZ-CB 4.44Å; F10-L92 HydrophobicContact CZ-CD1 4.3Å; F10-L94 HydrophobicContact CD2-CD2 3.52Å; F10-L94 HydrophobicContact CE2-CD2 3.59Å; F10-L99 HydrophobicContact CE1-CD1 3.64Å; F10-L99 HydrophobicContact CE1-CD2 3.78Å; F10-L99 HydrophobicContact CE1-CG 4.38Å; F10-L99 HydrophobicContact CZ-CD1 3.7Å; F10-L99 HydrophobicContact CZ-CD2 3.77Å; F10-L99 HydrophobicContact CZ-CG 4.3Å |
| 11 | I | 93.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 132.7 | -177.1 | -47 | 167.5 | 0 | 0 | 0 | 108.9 | I4 T6 F9 V13 A18 L19 Y20 V36 E39 | I4-I11 HydrophobicContact CB-CB 4.42Å; I4-I11 PolarHBondContact N-O 3.09Å; I4-I11 PolarHBondContact O-N 3.18Å; T6-I11 HydrophobicContact CG2-CD1 3.79Å; F9-I11 HydrophobicContact CB-CD1 4.48Å; F9-I11 HydrophobicContact CB-CG1 3.9Å; I11-V13 HydrophobicContact CG2-CG2 4.39Å; I11-A18 HydrophobicContact CG2-CB 3.88Å; I11-L19 WeakPolarHBondContact CA-O 3.36Å; I11-Y20 HydrophobicContact CD1-CD1 4Å; I11-Y20 HydrophobicContact CD1-CE1 3.48Å; I11-Y20 VanDerWaalsContact CD1-CE1 3.48Å; I11-Y20 HydrophobicContact CG1-CD1 3.82Å; I11-Y20 HydrophobicContact CG1-CE1 3.82Å; I11-Y20 HydrophobicContact CG1-CG 4.25Å; I11-Y20 HydrophobicContact CG2-CD1 4.48Å; I11-Y20 HydrophobicContact CG2-CD2 3.85Å; I11-Y20 HydrophobicContact CG2-CE1 4.33Å; I11-Y20 HydrophobicContact CG2-CE2 3.65Å; I11-Y20 HydrophobicContact CG2-CG 4.24Å; I11-V36 HydrophobicContact CD1-CG1 4.41Å; I11-V36 HydrophobicContact CD1-CG2 4.39Å; I11-V36 HydrophobicContact CG2-CG2 3.96Å; I11-E39 HydrophobicContact CD1-CG 4.13Å |
| 12 | I | 94.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 112.8 | -176.2 | -63.7 | 169.4 | 0 | 0 | 0 | 108.5 | M1 D2 L3 A18 L19 I48 V51 L65 L67 L293 | M1-I12 HydrophobicContact CB-CG2 3.68Å; M1-I12 HydrophobicContact CG-CG2 3.95Å; M1-I12 HydrophobicContact SD-CG2 4.43Å; D2-I12 WeakPolarHBondContact O-CA 3.08Å; L3-I12 HydrophobicContact CD1-CD1 4.28Å; L3-I12 HydrophobicContact CD1-CG1 3.67Å; I12-A18 CarbonylContact O-C 3.48Å; I12-A18 VanDerWaalsContact O-CA 3.31Å; I12-A18 WeakPolarHBondContact O-CA 3.46Å; I12-L19 HydrophobicContact CB-CB 4.39Å; I12-L19 PolarHBondContact N-O 3.14Å; I12-L19 PolarHBondContact O-N 3.36Å; I12-I48 HydrophobicContact CD1-CD1 3.95Å; I12-I48 HydrophobicContact CG1-CD1 4.13Å; I12-I48 HydrophobicContact CG2-CD1 3.86Å; I12-V51 HydrophobicContact CD1-CG2 3.81Å; I12-V51 HydrophobicContact CG2-CG2 3.97Å; I12-L65 HydrophobicContact CD1-CD2 4.18Å; I12-L67 HydrophobicContact CD1-CD1 4.39Å; I12-L67 HydrophobicContact CD1-CD2 3.56Å; I12-L293 HydrophobicContact CG2-CD2 4.18Å |
| 13 | V | 92.4 | Very high | 91.5 | Very high | 8 Ų | 8 | 18 Ų | 18 | 5% | 0.048 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 128.7 | -169.9 | -173.8 | 0 | 0 | 0 | 0 | 111.5 | M1 D2 I4 I11 A18 A33 V36 | M1-V13 VanDerWaalsContact CA-O 3.23Å; M1-V13 WeakPolarHBondContact CA-O 3.35Å; M1-V13 WeakPolarHBondContact CB-O 3.35Å; D2-V13 PolarHBondContact N-O 2.75Å; D2-V13 PolarHBondContact O-N 3.09Å; I4-V13 HydrophobicContact CD1-CG2 4.07Å; I11-V13 HydrophobicContact CG2-CG2 4.39Å; V13-A18 HydrophobicContact CG2-CB 4.2Å; V13-A33 HydrophobicContact CG1-CB 3.84Å; V13-V36 HydrophobicContact CG2-CG2 4.24Å |
| 14 | N | 91.3 | Very high | 91.2 | Very high | 33 Ų | 33 | 23.9 Ų | 23.9 | 18% | 0.176 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 117.9 | 174.1 | -165.1 | 56 | 0 | 0 | 0 | 110.2 | M1 S16 Q17 D289 L293 | M1-N14 HydrophobicContact CG-CB 3.84Å; N14-S16 PolarHBondContact O-N 3.43Å; N14-Q17 CarbonylContact C-O 3.59Å; N14-Q17 PolarHBondContact N-O 3.24Å; N14-Q17 PolarHBondContact O-N 2.81Å; N14-D289 PolarHBondContact ND2-O 3.28Å; N14-L293 HydrophobicContact CB-CD1 4.43Å; N14-L293 HydrophobicContact CB-CD2 3.59Å; N14-L293 HydrophobicContact CB-CG 3.7Å |
| 15 | G | 87.7 | Confident | 91 | Very high | 28 Ų | 28 | 28.2 Ų | 28.2 | 29% | 0.289 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | -120.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D289 | G15-D289 WeakPolarHBondContact CA-OD1 3.45Š|
| 16 | S | 89 | Confident | 90.9 | Very high | 37 Ų | 37 | 27 Ų | 27 | 26% | 0.259 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -14.9 | 174.5 | 68.7 | 0 | 0 | 0 | 0 | 114.6 | N14 H32 A33 D289 | N14-S16 PolarHBondContact O-N 3.43Å; S16-H32 PolarHBondContact O-CD2 3.39Å; S16-H32 PolarHBondContact O-NE2 3.1Å; S16-A33 WeakPolarHBondContact O-CB 3.05Å; S16-A33 PolarHBondContact O-N 3.4Å; S16-D289 VanDerWaalsContact CB-OD2 3.26Å; S16-D289 WeakPolarHBondContact CB-OD2 3.3Å; S16-D289 PolarHBondContact N-OD2 3.43Å; S16-D289 PolarHBondContact OG-OD2 2.83Å |
| 17 | Q | 92.7 | Very high | 91 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 6% | 0.061 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 156.8 | -173.3 | -58.1 | -54.1 | -55.5 | 0 | 0 | 112.4 | N14 L286 D289 L290 L293 | N14-Q17 CarbonylContact C-O 3.59Å; N14-Q17 PolarHBondContact N-O 3.24Å; N14-Q17 PolarHBondContact O-N 2.81Å; Q17-L286 HydrophobicContact CG-CD1 3.89Å; Q17-D289 HydrophobicContact CB-CB 4.29Å; Q17-D289 HydrophobicContact CG-CB 3.86Å; Q17-L290 HydrophobicContact CG-CD2 4.18Å; Q17-L290 HydrophobicContact CG-CG 4.37Å; Q17-L293 HydrophobicContact CB-CD1 3.78Å |
| 18 | A | 93.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 130.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I11 I12 V13 Y20 I30 R31 | I11-A18 HydrophobicContact CG2-CB 3.88Å; I12-A18 CarbonylContact O-C 3.48Å; I12-A18 VanDerWaalsContact O-CA 3.31Å; I12-A18 WeakPolarHBondContact O-CA 3.46Å; V13-A18 HydrophobicContact CG2-CB 4.2Å; A18-Y20 HydrophobicContact CB-CD2 4.22Å; A18-Y20 HydrophobicContact CB-CE2 3.77Å; A18-I30 WeakPolarHBondContact O-CA 3.48Å; A18-R31 PolarHBondContact N-O 3.39Å; A18-R31 PolarHBondContact O-N 2.92Å |
| 19 | L | 95.2 | Very high | 91.7 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 112.9 | 171.9 | -179.7 | 66 | 0 | 0 | 0 | 109.4 | I11 I12 L28 I30 V51 P254 L293 | I11-L19 WeakPolarHBondContact CA-O 3.36Å; I12-L19 HydrophobicContact CB-CB 4.39Å; I12-L19 PolarHBondContact N-O 3.14Å; I12-L19 PolarHBondContact O-N 3.36Å; L19-L28 HydrophobicContact CD1-CB 4.29Å; L19-L28 HydrophobicContact CD1-CD2 4.33Å; L19-L28 HydrophobicContact CD2-CD2 4.41Å; L19-L28 HydrophobicContact CG-CD2 4.36Å; L19-I30 HydrophobicContact CD1-CG1 4.12Å; L19-V51 HydrophobicContact CD2-CG1 4.22Å; L19-V51 HydrophobicContact CD2-CG2 4.44Å; L19-P254 HydrophobicContact CD1-CB 3.71Å; L19-P254 HydrophobicContact CD1-CG 4.19Å; L19-L293 HydrophobicContact CB-CD1 4.48Å; L19-L293 HydrophobicContact CB-CD2 4.18Å |
| 20 | Y | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 133.7 | 175 | -76.4 | -116.3 | 0 | 0 | 0 | 109.9 | F9 I11 A18 L28 T29 R31 D35 V36 E39 | F9-Y20 HydrophobicContact CB-CD1 4.23Å; F9-Y20 HydrophobicContact CD1-CD1 4.35Å; F9-Y20 HydrophobicContact CD2-CD1 4.13Å; F9-Y20 AromaticContact CG-CD1 3.97Å; F9-Y20 HydrophobicContact CG-CD1 3.97Å; I11-Y20 HydrophobicContact CD1-CD1 4Å; I11-Y20 HydrophobicContact CD1-CE1 3.48Å; I11-Y20 VanDerWaalsContact CD1-CE1 3.48Å; I11-Y20 HydrophobicContact CG1-CD1 3.82Å; I11-Y20 HydrophobicContact CG1-CE1 3.82Å; I11-Y20 HydrophobicContact CG1-CG 4.25Å; I11-Y20 HydrophobicContact CG2-CD1 4.48Å; I11-Y20 HydrophobicContact CG2-CD2 3.85Å; I11-Y20 HydrophobicContact CG2-CE1 4.33Å; I11-Y20 HydrophobicContact CG2-CE2 3.65Å; I11-Y20 HydrophobicContact CG2-CG 4.24Å; A18-Y20 HydrophobicContact CB-CD2 4.22Å; A18-Y20 HydrophobicContact CB-CE2 3.77Å; Y20-L28 WeakPolarHBondContact O-CA 3.49Å; Y20-T29 WeakPolarHBondContact CB-O 3.45Å; Y20-T29 PolarHBondContact N-O 3.24Å; Y20-T29 PolarHBondContact O-N 3.09Å; Y20-R31 HydrophobicContact CD2-CB 3.84Å; Y20-R31 HydrophobicContact CD2-CG 3.77Å; Y20-R31 HydrophobicContact CE2-CB 3.64Å; Y20-R31 HydrophobicContact CE2-CG 3.95Å; Y20-R31 HydrophobicContact CG-CG 4.25Å; Y20-D35 WeakPolarHBondContact OH-CB 3.33Å; Y20-D35 PolarHBondContact OH-O 3.09Å; Y20-V36 WeakPolarHBondContact OH-CA 3.15Å; Y20-V36 WeakPolarHBondContact OH-CG2 3.31Å; Y20-V36 PolarHBondContact OH-N 3.38Å; Y20-E39 HydrophobicContact CE1-CG 3.85Å |
| 21 | C | 93.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.007 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 106.4 | -178 | -172.9 | 0 | 0 | 0 | 0 | 110.1 | F9 F10 R23 L28 L65 L94 | F9-C21 CarbonylContact C-O 3.37Å; F9-C21 VanDerWaalsContact CA-O 3.28Å; F9-C21 WeakPolarHBondContact CA-O 3.31Å; F10-C21 HydrophobicContact CB-CB 4.37Å; F10-C21 PolarHBondContact N-O 3.08Å; F10-C21 WeakPolarHBondContact O-CB 3.45Å; F10-C21 PolarHBondContact O-N 3.14Å; C21-R23 PolarHBondContact O-N 3.45Å; C21-L28 HydrophobicContact CB-CD2 3.67Å; C21-L28 VanDerWaalsContact SG-CD2 3.53Å; C21-L65 HydrophobicContact CB-CD2 4.25Å; C21-L94 WeakPolarHBondContact SG-CD1 3.28Å |
| 22 | D | 92.7 | Very high | 91.6 | Very high | 32 Ų | 32 | 32.4 Ų | 32.4 | 17% | 0.171 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 124.4 | -176.5 | -174.5 | -46.5 | 0 | 0 | 0 | 111.8 | F9 L24 V25 G26 K27 | F9-D22 HydrophobicContact CD1-CB 4.18Å; F9-D22 HydrophobicContact CE1-CB 4.08Å; D22-L24 VanDerWaalsContact C-N 3.27Å; D22-L24 PolarHBondContact O-N 3.43Å; D22-L24 WeakPolarHBondContact OD1-CA 3.13Å; D22-L24 PolarHBondContact OD1-N 3.26Å; D22-V25 HydrophobicContact CB-CB 4.33Å; D22-V25 PolarHBondContact OD1-N 3.25Å; D22-G26 VanDerWaalsContact O-CA 3.25Å; D22-G26 WeakPolarHBondContact O-CA 3.29Å; D22-G26 PolarHBondContact O-N 3.22Å; D22-K27 HydrophobicContact CB-CB 3.98Å; D22-K27 PolarHBondContact N-O 3.31Å |
| 23 | R | 90.3 | Very high | 91.4 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -4.3 | -176.3 | -66.9 | -179.4 | 66.5 | 156.2 | 9.1 | 114.6 | E5 T6 N8 F10 C21 L94 N95 T97 | E5-R23 IonicContact OE1-CZ 3.9Å; E5-R23 IonicContact OE1-NH1 2.76Å; E5-R23 PolarHBondContact OE1-NH1 3.2Å; E5-R23 IonicContact OE1-NH2 2.71Å; T6-R23 WeakPolarHBondContact O-CD 3.45Å; T6-R23 PolarHBondContact O-NH1 3.29Å; N8-R23 WeakPolarHBondContact O-CB 3.3Å; N8-R23 WeakPolarHBondContact O-CG 3.49Å; N8-R23 PolarHBondContact O-N 2.89Å; F10-R23 HydrophobicContact CD2-CG 3.91Å; F10-R23 HydrophobicContact CE2-CG 3.82Å; F10-R23 HydrophobicContact CZ-CG 4.42Å; C21-R23 PolarHBondContact O-N 3.45Å; R23-L94 CarbonylContact O-C 3.44Å; R23-L94 VanDerWaalsContact O-O 3.11Å; R23-N95 PolarHBondContact NE-O 3.36Å; R23-N95 PolarHBondContact NH2-O 3.45Å; R23-N95 WeakPolarHBondContact O-CA 3.42Å; R23-N95 PolarHBondContact O-N 2.73Å; R23-T97 PolarHBondContact NH2-O 3.24Å |
| 24 | L | 85.8 | Confident | 91.2 | Very high | 125 Ų | 125 | 35.3 Ų | 35.3 | 65% | 0.654 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -119.3 | -45.1 | 178.9 | -65.4 | 176.3 | 0 | 0 | 0 | 111.7 | D22 T96 | D22-L24 VanDerWaalsContact C-N 3.27Å; D22-L24 PolarHBondContact O-N 3.43Å; D22-L24 WeakPolarHBondContact OD1-CA 3.13Å; D22-L24 PolarHBondContact OD1-N 3.26Å; L24-T96 HydrophobicContact CD2-CG2 3.89Å |
| 25 | V | 87.3 | Confident | 91.1 | Very high | 92 Ų | 92 | 36 Ų | 36 | 56% | 0.558 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -22.9 | -176.6 | -172 | 0 | 0 | 0 | 0 | 111.7 | D22 K27 W63 | D22-V25 HydrophobicContact CB-CB 4.33Å; D22-V25 PolarHBondContact OD1-N 3.25Å; V25-K27 HydrophobicContact CB-CB 4.36Å; V25-K27 HydrophobicContact CG1-CB 4.19Å; V25-K27 PolarHBondContact O-N 2.86Å; V25-W63 PolarHBondContact O-NE1 3.13Å; V25-W63 VanDerWaalsContact O-NE1 3.17Å |
| 26 | G | 87.6 | Confident | 91 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | 67.4 | 18.1 | -170 | 0 | 0 | 0 | 0 | 0 | 113.4 | D22 K54 | D22-G26 VanDerWaalsContact O-CA 3.25Å; D22-G26 WeakPolarHBondContact O-CA 3.29Å; D22-G26 PolarHBondContact O-N 3.22Å; G26-K54 VanDerWaalsContact O-CD 3.27Å; G26-K54 WeakPolarHBondContact O-CD 3.16Å; G26-K54 PolarHBondContact O-NZ 2.84Å | ||
| 27 | K | 91.7 | Very high | 90.6 | Very high | 101 Ų | 101 | 38.1 Ų | 38.1 | 44% | 0.439 | 19% | 0.194 | S | C | . | . | trans | -67.4 | 129.7 | 175.9 | -163.6 | -170.3 | 179.8 | -170.3 | 0 | 109.5 | D22 V25 T29 | D22-K27 HydrophobicContact CB-CB 3.98Å; D22-K27 PolarHBondContact N-O 3.31Å; V25-K27 HydrophobicContact CB-CB 4.36Å; V25-K27 HydrophobicContact CG1-CB 4.19Å; V25-K27 PolarHBondContact O-N 2.86Å; K27-T29 HydrophobicContact CD-CG2 3.81Å; K27-T29 VanDerWaalsContact CE-CG2 3.47Å; K27-T29 HydrophobicContact CG-CG2 4.13Å | ||
| 28 | L | 93 | Very high | 90.2 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 130.7 | 168 | -68.2 | 177 | 0 | 0 | 0 | 109.1 | L19 Y20 C21 K54 L65 Q253 P254 | L19-L28 HydrophobicContact CD1-CB 4.29Å; L19-L28 HydrophobicContact CD1-CD2 4.33Å; L19-L28 HydrophobicContact CD2-CD2 4.41Å; L19-L28 HydrophobicContact CG-CD2 4.36Å; Y20-L28 WeakPolarHBondContact O-CA 3.49Å; C21-L28 HydrophobicContact CB-CD2 3.67Å; C21-L28 VanDerWaalsContact SG-CD2 3.53Å; L28-K54 HydrophobicContact CD1-CB 4.48Å; L28-K54 HydrophobicContact CD1-CD 3.93Å; L28-K54 HydrophobicContact CD1-CG 3.88Å; L28-K54 HydrophobicContact CG-CD 4.04Å; L28-K54 HydrophobicContact CG-CG 4.49Å; L28-L65 HydrophobicContact CD2-CD1 4.39Å; L28-Q253 HydrophobicContact CB-CG 4.31Å; L28-Q253 PolarHBondContact O-NE2 2.97Å; L28-P254 HydrophobicContact CB-CB 4.41Å; L28-P254 HydrophobicContact CB-CG 4.21Å; L28-P254 HydrophobicContact CD1-CG 3.99Å |
| 29 | T | 93.2 | Very high | 89.8 | Confident | 18 Ų | 18 | 45.2 Ų | 45.2 | 11% | 0.11 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 142 | 175.6 | 51.7 | 0 | 0 | 0 | 0 | 110.1 | Y20 K27 | Y20-T29 WeakPolarHBondContact CB-O 3.45Å; Y20-T29 PolarHBondContact N-O 3.24Å; Y20-T29 PolarHBondContact O-N 3.09Å; K27-T29 HydrophobicContact CD-CG2 3.81Å; K27-T29 VanDerWaalsContact CE-CG2 3.47Å; K27-T29 HydrophobicContact CG-CG2 4.13Å |
| 30 | I | 93.6 | Very high | 89.2 | Confident | 13 Ų | 13 | 54.8 Ų | 54.8 | 7% | 0.067 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 141 | 173 | -57.9 | 176.6 | 0 | 0 | 0 | 108.4 | A18 L19 P254 A258 M261 L290 L294 | A18-I30 WeakPolarHBondContact O-CA 3.48Å; L19-I30 HydrophobicContact CD1-CG1 4.12Å; I30-P254 HydrophobicContact CD1-CB 4.17Å; I30-P254 WeakPolarHBondContact CD1-O 3.29Å; I30-P254 HydrophobicContact CG1-CB 4.15Å; I30-A258 HydrophobicContact CD1-CB 3.79Å; I30-M261 HydrophobicContact CB-SD 3.83Å; I30-M261 HydrophobicContact CG2-CE 4.03Å; I30-M261 HydrophobicContact CG2-SD 3.78Å; I30-L290 HydrophobicContact CD1-CD2 3.8Å; I30-L290 HydrophobicContact CG2-CD2 3.95Å; I30-L294 HydrophobicContact CD1-CD1 4.26Å |
| 31 | R | 93.1 | Very high | 88.6 | Confident | 77 Ų | 77 | 58.7 Ų | 58.7 | 29% | 0.291 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 174 | 172.6 | -52.5 | -171.5 | -169.3 | 160.1 | 5.3 | 110 | A18 Y20 D35 E39 | A18-R31 PolarHBondContact N-O 3.39Å; A18-R31 PolarHBondContact O-N 2.92Å; Y20-R31 HydrophobicContact CD2-CB 3.84Å; Y20-R31 HydrophobicContact CD2-CG 3.77Å; Y20-R31 HydrophobicContact CE2-CB 3.64Å; Y20-R31 HydrophobicContact CE2-CG 3.95Å; Y20-R31 HydrophobicContact CG-CG 4.25Å; R31-D35 WeakPolarHBondContact CB-OD2 3.27Å; R31-E39 IonicContact CZ-OE1 2.63Å; R31-E39 IonicContact NH1-OE1 2.78Å; R31-E39 PolarHBondContact NH1-OE1 2.74Å; R31-E39 IonicContact NH2-OE1 3.5Å |
| 32 | H | 91.4 | Very high | 88.2 | Confident | 92 Ų | 92 | 59.6 Ų | 59.6 | 43% | 0.426 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 150.1 | 175.7 | -167.3 | -119 | 0 | 0 | 0 | 110.9 | S16 S34 D35 | S16-H32 PolarHBondContact O-CD2 3.39Å; S16-H32 PolarHBondContact O-NE2 3.1Å; H32-S34 WeakPolarHBondContact ND1-CB 3.45Å; H32-S34 PolarHBondContact ND1-OG 3.26Å; H32-S34 PolarHBondContact O-N 2.95Å; H32-D35 PolarHBondContact N-OD2 2.94Å; H32-D35 WeakPolarHBondContact O-CB 3.48Å; H32-D35 PolarHBondContact O-N 2.99Å; H32-D35 VanDerWaalsContact O-N 3.1Å |
| 33 | A | 89.7 | Confident | 87.9 | Confident | 17 Ų | 17 | 59.3 Ų | 59.3 | 14% | 0.14 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -67.3 | -19.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | V13 S16 D35 V36 | V13-A33 HydrophobicContact CG1-CB 3.84Å; S16-A33 WeakPolarHBondContact O-CB 3.05Å; S16-A33 PolarHBondContact O-N 3.4Å; A33-D35 VanDerWaalsContact C-N 3.25Å; A33-D35 PolarHBondContact O-N 3.05Å; A33-V36 WeakPolarHBondContact O-CG2 3.4Å |
| 34 | S | 87.3 | Confident | 87.8 | Confident | 51 Ų | 51 | 59.2 Ų | 59.2 | 36% | 0.357 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -65.1 | -27.8 | 171.3 | 57.3 | 0 | 0 | 0 | 0 | 113.2 | H32 V36 F37 | H32-S34 WeakPolarHBondContact ND1-CB 3.45Å; H32-S34 PolarHBondContact ND1-OG 3.26Å; H32-S34 PolarHBondContact O-N 2.95Å; S34-V36 PolarHBondContact O-N 2.8Å; S34-F37 VanDerWaalsContact O-CD2 3.25Å; S34-F37 WeakPolarHBondContact O-CD2 3.21Å; S34-F37 PolarHBondContact O-N 3.2Å; S34-F37 VanDerWaalsContact O-N 3.15Å |
| 35 | D | 88.7 | Confident | 87.8 | Confident | 47 Ų | 47 | 54.3 Ų | 54.3 | 25% | 0.251 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -69 | -14.3 | -171.1 | -56 | -23.1 | 0 | 0 | 0 | 111.7 | Y20 R31 H32 A33 F37 N38 | Y20-D35 WeakPolarHBondContact OH-CB 3.33Å; Y20-D35 PolarHBondContact OH-O 3.09Å; R31-D35 WeakPolarHBondContact CB-OD2 3.27Å; H32-D35 PolarHBondContact N-OD2 2.94Å; H32-D35 WeakPolarHBondContact O-CB 3.48Å; H32-D35 PolarHBondContact O-N 2.99Å; H32-D35 VanDerWaalsContact O-N 3.1Å; A33-D35 VanDerWaalsContact C-N 3.25Å; A33-D35 PolarHBondContact O-N 3.05Å; D35-F37 VanDerWaalsContact C-N 3.25Å; D35-F37 PolarHBondContact O-N 2.86Å; D35-N38 WeakPolarHBondContact O-CB 3.4Å; D35-N38 PolarHBondContact O-N 3.3Å; D35-N38 VanDerWaalsContact O-N 3.08Å |
| 36 | V | 86 | Confident | 88 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.024 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -62.8 | -32 | 176.3 | -178 | 0 | 0 | 0 | 0 | 111.7 | I4 I11 V13 Y20 A33 S34 N38 E39 I114 | I4-V36 HydrophobicContact CD1-CG1 3.74Å; I4-V36 HydrophobicContact CG2-CG1 4.46Å; I11-V36 HydrophobicContact CD1-CG1 4.41Å; I11-V36 HydrophobicContact CD1-CG2 4.39Å; I11-V36 HydrophobicContact CG2-CG2 3.96Å; V13-V36 HydrophobicContact CG2-CG2 4.24Å; Y20-V36 WeakPolarHBondContact OH-CA 3.15Å; Y20-V36 WeakPolarHBondContact OH-CG2 3.31Å; Y20-V36 PolarHBondContact OH-N 3.38Å; A33-V36 WeakPolarHBondContact O-CG2 3.4Å; S34-V36 PolarHBondContact O-N 2.8Å; V36-N38 PolarHBondContact O-N 3.1Å; V36-E39 PolarHBondContact O-N 3.26Å; V36-I114 HydrophobicContact CG1-CD1 3.91Å |
| 37 | F | 81.1 | Confident | 88.1 | Confident | 106 Ų | 106 | 53.3 Ų | 53.3 | 47% | 0.465 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -73 | -17.6 | 177.1 | -56.9 | -70.2 | 0 | 0 | 0 | 112.6 | S34 D35 E113 I114 | S34-F37 VanDerWaalsContact O-CD2 3.25Å; S34-F37 WeakPolarHBondContact O-CD2 3.21Å; S34-F37 PolarHBondContact O-N 3.2Å; S34-F37 VanDerWaalsContact O-N 3.15Å; D35-F37 VanDerWaalsContact C-N 3.25Å; D35-F37 PolarHBondContact O-N 2.86Å; F37-E113 WeakPolarHBondContact CD1-OE2 3.45Å; F37-I114 HydrophobicContact CE1-CD1 4.2Å; F37-I114 HydrophobicContact CE1-CG1 4.45Å |
| 38 | N | 84.3 | Confident | 88.1 | Confident | 134 Ų | 134 | 48.6 Ų | 48.6 | 72% | 0.717 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -90 | -13.8 | 177.2 | -60.7 | -39.6 | 0 | 0 | 0 | 113.2 | D35 V36 | D35-N38 WeakPolarHBondContact O-CB 3.4Å; D35-N38 PolarHBondContact O-N 3.3Å; D35-N38 VanDerWaalsContact O-N 3.08Å; V36-N38 PolarHBondContact O-N 3.1Å |
| 39 | E | 85.9 | Confident | 88.1 | Confident | 29 Ų | 29 | 50.8 Ų | 50.8 | 14% | 0.136 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -81.2 | 145.5 | 178.8 | -71 | -71.8 | 172.2 | 0 | 0 | 111.8 | T6 F9 I11 Y20 R31 V36 P42 | T6-E39 HydrophobicContact CG2-CB 3.91Å; F9-E39 WeakPolarHBondContact CD2-OE1 3.48Å; F9-E39 WeakPolarHBondContact CD2-OE2 3.3Å; F9-E39 WeakPolarHBondContact CE2-OE1 3.46Å; F9-E39 WeakPolarHBondContact CE2-OE2 3.38Å; I11-E39 HydrophobicContact CD1-CG 4.13Å; Y20-E39 HydrophobicContact CE1-CG 3.85Å; R31-E39 IonicContact CZ-OE1 2.63Å; R31-E39 IonicContact NH1-OE1 2.78Å; R31-E39 PolarHBondContact NH1-OE1 2.74Å; R31-E39 IonicContact NH2-OE1 3.5Å; V36-E39 PolarHBondContact O-N 3.26Å; E39-P42 WeakPolarHBondContact O-CD 2.87Å |
| 40 | W | 82.2 | Confident | 88.1 | Confident | 203 Ų | 203 | 49.9 Ų | 49.9 | 77% | 0.769 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -81.6 | 126.9 | -173.4 | -170.6 | 57.8 | 0 | 0 | 0 | 113.2 | N7 | N7-W40 WeakPolarHBondContact ND2-CZ3 3.32Š|
| 41 | N | 81.3 | Confident | 88.1 | Confident | 81 Ų | 81 | 49.3 Ų | 49.3 | 43% | 0.433 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 55.6 | 62.5 | 178.5 | -174 | 60.6 | 0 | 0 | 0 | 114 | ||
| 42 | P | 86.7 | Confident | 88.2 | Confident | 20 Ų | 20 | 45.7 Ų | 45.7 | 13% | 0.13 | 23% | 0.227 | C | C | . | . | trans | -72.9 | 135.5 | 174.4 | 32.2 | -34 | 0 | 0 | 0 | 110.9 | I4 E5 T6 E39 I114 P115 | I4-P42 HydrophobicContact CG2-CB 3.8Å; E5-P42 CarbonylContact O-C 3.5Å; E5-P42 WeakPolarHBondContact O-CA 3.23Å; T6-P42 HydrophobicContact CG2-CB 4.13Å; E39-P42 WeakPolarHBondContact O-CD 2.87Å; P42-I114 HydrophobicContact CB-CG2 4.1Å; P42-I114 HydrophobicContact CG-CG1 4.16Å; P42-I114 HydrophobicContact CG-CG2 4.36Å; P42-P115 VanDerWaalsContact O-CD 3.3Å; P42-P115 WeakPolarHBondContact O-CD 3.48Å; P42-P115 WeakPolarHBondContact O-CG 3.41Å | ||
| 43 | V | 86 | Confident | 88.3 | Confident | 27 Ų | 27 | 41.3 Ų | 41.3 | 16% | 0.164 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 118.8 | 179.9 | 179.7 | 0 | 0 | 0 | 0 | 109.2 | I4 E5 L45 P115 K117 | I4-V43 CarbonylContact C-O 3.47Å; I4-V43 WeakPolarHBondContact CA-O 3.29Å; E5-V43 PolarHBondContact N-O 3.33Å; E5-V43 PolarHBondContact O-N 3.49Å; V43-L45 PolarHBondContact O-N 3.35Å; V43-P115 WeakPolarHBondContact CA-O 3.35Å; V43-P115 HydrophobicContact CG2-CG 4.41Å; V43-K117 HydrophobicContact CG1-CB 3.88Å; V43-K117 HydrophobicContact CG1-CD 4.48Å; V43-K117 HydrophobicContact CG1-CG 4.41Å |
| 44 | C | 87.9 | Confident | 88.5 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 118 | 178.3 | 175.7 | 0 | 0 | 0 | 0 | 110.5 | C107 I114 P115 K116 K117 | C44-C107 WeakPolarHBondContact SG-CB 3.43Å; C44-I114 HydrophobicContact CB-CG2 4.06Å; C44-P115 PolarHBondContact N-O 3.26Å; C44-K116 HydrophobicContact CB-CG 4.23Å; C44-K117 PolarHBondContact O-N 3.13Å |
| 45 | L | 86.9 | Confident | 88.7 | Confident | 23 Ų | 23 | 39.8 Ų | 39.8 | 12% | 0.12 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -27.8 | -179.4 | -67.2 | -176 | 0 | 0 | 0 | 113.6 | L3 E5 F10 V43 L102 L104 K117 | L3-L45 HydrophobicContact CD2-CB 4.07Å; L3-L45 HydrophobicContact CD2-CD1 3.77Å; L3-L45 HydrophobicContact CG-CB 4.16Å; L3-L45 HydrophobicContact CG-CD1 4.02Å; L3-L45 PolarHBondContact O-N 3.33Å; E5-L45 HydrophobicContact CB-CD1 3.81Å; E5-L45 HydrophobicContact CB-CD2 4.08Å; E5-L45 HydrophobicContact CB-CG 3.86Å; F10-L45 HydrophobicContact CD1-CD1 4.5Å; V43-L45 PolarHBondContact O-N 3.35Å; L45-L102 HydrophobicContact CD1-CD1 3.87Å; L45-L104 HydrophobicContact CB-CD1 4.46Å; L45-K117 HydrophobicContact CD2-CB 4.49Å; L45-K117 HydrophobicContact CD2-CD 3.4Å |
| 46 | G | 89.6 | Confident | 88.6 | Confident | 4 Ų | 4 | 41 Ų | 41 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 139.9 | -169.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L3 N105 | L3-G46 PolarHBondContact N-O 3.47Å; G46-N105 CarbonylContact C-O 3.43Å; G46-N105 WeakPolarHBondContact CA-O 3.46Å |
| 47 | K | 90.2 | Very high | 88.6 | Confident | 66 Ų | 66 | 41.1 Ų | 41.1 | 29% | 0.287 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 150.6 | 174.8 | -72.9 | -172.1 | 178.7 | -173.1 | 0 | 112.9 | M1 N105 T108 | M1-K47 WeakPolarHBondContact O-CA 3.38Å; K47-N105 HydrophobicContact CB-CB 4.38Å; K47-N105 PolarHBondContact N-O 3.33Å; K47-T108 VanDerWaalsContact CE-OG1 3.26Å; K47-T108 WeakPolarHBondContact CE-OG1 3.4Å; K47-T108 VanDerWaalsContact NZ-CG2 3.32Å; K47-T108 PolarHBondContact NZ-OG1 3.45Å |
| 48 | I | 93 | Very high | 88.4 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | trans | -130.1 | 154.5 | 162.7 | 64.2 | 174.7 | 0 | 0 | 0 | 109.5 | M1 L3 I12 V51 L67 I68 L104 | M1-I48 HydrophobicContact CB-CG1 4.05Å; M1-I48 PolarHBondContact N-O 2.98Å; M1-I48 PolarHBondContact O-N 2.79Å; M1-I48 VanDerWaalsContact O-O 3.13Å; L3-I48 HydrophobicContact CB-CG2 4.38Å; L3-I48 HydrophobicContact CD2-CG2 4.5Å; I12-I48 HydrophobicContact CD1-CD1 3.95Å; I12-I48 HydrophobicContact CG1-CD1 4.13Å; I12-I48 HydrophobicContact CG2-CD1 3.86Å; I48-V51 HydrophobicContact CD1-CG2 4.37Å; I48-L67 HydrophobicContact CD1-CB 4.25Å; I48-L67 HydrophobicContact CD1-CD1 4.12Å; I48-L67 HydrophobicContact CD1-CD2 3.9Å; I48-L67 HydrophobicContact CD1-CG 4.32Å; I48-L67 HydrophobicContact CG2-CB 4.39Å; I48-L67 HydrophobicContact CG2-CD1 4.46Å; I48-I68 WeakPolarHBondContact CB-O 3.43Å; I48-L104 HydrophobicContact CG2-CD1 4.24Å; I48-L104 HydrophobicContact CG2-CD2 4.17Å | ||
| 49 | D | 92.1 | Very high | 88.1 | Confident | 48 Ų | 48 | 35.3 Ų | 35.3 | 26% | 0.257 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -85.6 | -26.2 | -179.7 | -67.8 | -4.5 | 0 | 0 | 0 | 112.2 | I68 S70 S71 F180 | D49-I68 HydrophobicContact CB-CB 4.37Å; D49-I68 HydrophobicContact CB-CG2 4.01Å; D49-I68 PolarHBondContact N-O 2.84Å; D49-S70 WeakPolarHBondContact OD2-CA 3.44Å; D49-S71 VanDerWaalsContact OD2-CB 3.26Å; D49-S71 WeakPolarHBondContact OD2-CB 3.14Å; D49-S71 PolarHBondContact OD2-N 2.92Å; D49-S71 PolarHBondContact OD2-OG 3.44Å; D49-F180 HydrophobicContact CB-CZ 4.23Å |
| 50 | G | 93.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.5 | 173.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | I68 M295 | G50-I68 PolarHBondContact O-N 3.1Å; G50-M295 VanDerWaalsContact CA-CE 3.49Å |
| 51 | V | 94.5 | Very high | 87.6 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 127.2 | -179.4 | -175.2 | 0 | 0 | 0 | 0 | 109 | I12 L19 I48 L67 | I12-V51 HydrophobicContact CD1-CG2 3.81Å; I12-V51 HydrophobicContact CG2-CG2 3.97Å; L19-V51 HydrophobicContact CD2-CG1 4.22Å; L19-V51 HydrophobicContact CD2-CG2 4.44Å; I48-V51 HydrophobicContact CD1-CG2 4.37Å; V51-L67 HydrophobicContact CB-CD2 4.45Å; V51-L67 HydrophobicContact CG1-CD2 4.1Å; V51-L67 HydrophobicContact CG2-CD2 4.21Å |
| 52 | I | 94.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -40.5 | 173.8 | -54.6 | -176.7 | 0 | 0 | 0 | 109.7 | F66 I68 I86 V89 L170 W246 N247 L250 I297 | I52-F66 HydrophobicContact CB-CB 3.9Å; I52-F66 WeakPolarHBondContact CB-O 3.48Å; I52-F66 HydrophobicContact CD1-CB 4.36Å; I52-F66 HydrophobicContact CG2-CB 4.37Å; I52-F66 PolarHBondContact N-O 3.08Å; I52-I68 HydrophobicContact CD1-CG1 4.08Å; I52-I68 HydrophobicContact CG1-CD1 4.32Å; I52-I68 HydrophobicContact CG1-CG1 3.67Å; I52-I86 HydrophobicContact CD1-CD1 4.23Å; I52-V89 HydrophobicContact CD1-CB 4.48Å; I52-V89 HydrophobicContact CD1-CG1 3.84Å; I52-V89 HydrophobicContact CD1-CG2 3.74Å; I52-L170 HydrophobicContact CD1-CD1 3.87Å; I52-L170 HydrophobicContact CD1-CD2 4.12Å; I52-W246 HydrophobicContact CG2-CH2 4.47Å; I52-W246 HydrophobicContact CG2-CZ3 3.85Å; I52-N247 WeakPolarHBondContact O-CB 3.37Å; I52-L250 HydrophobicContact CG2-CD1 4.08Å; I52-I297 HydrophobicContact CB-CD1 4.18Å; I52-I297 HydrophobicContact CG1-CD1 3.93Å; I52-I297 HydrophobicContact CG2-CD1 4.08Å |
| 53 | G | 93.8 | Very high | 88 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.3 | -165.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | F66 L250 | G53-F66 PolarHBondContact N-O 3.29Å; G53-F66 PolarHBondContact O-N 3.07Å; G53-L250 WeakPolarHBondContact CA-O 3.31Å |
| 54 | K | 93 | Very high | 88.3 | Confident | 28 Ų | 28 | 30.9 Ų | 30.9 | 12% | 0.122 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 152.1 | 179.1 | 63.9 | 169.3 | 175 | 167.5 | 0 | 112.4 | G26 L28 W63 R64 L65 L250 | G26-K54 VanDerWaalsContact O-CD 3.27Å; G26-K54 WeakPolarHBondContact O-CD 3.16Å; G26-K54 PolarHBondContact O-NZ 2.84Å; L28-K54 HydrophobicContact CD1-CB 4.48Å; L28-K54 HydrophobicContact CD1-CD 3.93Å; L28-K54 HydrophobicContact CD1-CG 3.88Å; L28-K54 HydrophobicContact CG-CD 4.04Å; L28-K54 HydrophobicContact CG-CG 4.49Å; K54-W63 HydrophobicContact CB-CE3 4.35Å; K54-W63 HydrophobicContact CD-CD2 4.46Å; K54-W63 HydrophobicContact CD-CE3 3.83Å; K54-W63 HydrophobicContact CD-CH2 4.5Å; K54-W63 HydrophobicContact CD-CZ3 3.86Å; K54-W63 HydrophobicContact CG-CE3 4.22Å; K54-W63 HydrophobicContact CG-CZ3 4.16Å; K54-R64 CarbonylContact C-O 3.48Å; K54-R64 VanDerWaalsContact CA-O 3.31Å; K54-R64 WeakPolarHBondContact CA-O 3.25Å; K54-L65 HydrophobicContact CB-CD1 4.33Å; K54-L250 PolarHBondContact N-O 2.87Å; K54-L250 WeakPolarHBondContact O-CD2 3.5Å |
| 55 | I | 91.2 | Very high | 88.5 | Confident | 7 Ų | 7 | 30.7 Ų | 30.7 | 4% | 0.036 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 159.1 | 178.5 | -156.3 | 167.5 | 0 | 0 | 0 | 110.5 | Y57 R64 F66 L166 L250 L808 F809 | I55-Y57 HydrophobicContact CG2-CD1 4.45Å; I55-Y57 HydrophobicContact CG2-CE1 3.87Å; I55-R64 HydrophobicContact CG2-CB 4.27Å; I55-R64 PolarHBondContact N-O 2.78Å; I55-R64 PolarHBondContact O-N 3.34Å; I55-F66 HydrophobicContact CG2-CD2 3.89Å; I55-F66 HydrophobicContact CG2-CE2 3.42Å; I55-F66 VanDerWaalsContact CG2-CE2 3.42Å; I55-F66 HydrophobicContact CG2-CZ 4.25Å; I55-L166 HydrophobicContact CD1-CD1 4.2Å; I55-L250 HydrophobicContact CB-CD2 4.38Å; I55-L250 HydrophobicContact CD1-CD2 4.36Å; I55-L250 HydrophobicContact CG1-CD2 4.34Å; I55-L808 HydrophobicContact CD1-CB 4.42Å; I55-L808 HydrophobicContact CD1-CD2 3.81Å; I55-L808 HydrophobicContact CD1-CG 3.85Å; I55-L808 HydrophobicContact CG1-CD2 4.01Å; I55-L808 HydrophobicContact CG1-CG 4.02Å; I55-F809 HydrophobicContact CD1-CD1 3.86Å; I55-F809 HydrophobicContact CD1-CE1 4.31Å |
| 56 | R | 87.8 | Confident | 88.9 | Confident | 74 Ų | 74 | 29.7 Ų | 29.7 | 28% | 0.279 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 138.3 | 175.4 | -159 | 176.1 | -171 | -143.2 | -7.5 | 108.9 | H58 S59 S61 W63 | R56-H58 PolarHBondContact NE-O 2.8Å; R56-S59 VanDerWaalsContact CZ-C 3.45Å; R56-S59 VanDerWaalsContact NH1-C 3.3Å; R56-S59 PolarHBondContact NH1-O 2.93Å; R56-S59 VanDerWaalsContact NH2-C 3.31Å; R56-S59 PolarHBondContact NH2-O 3.19Å; R56-S61 WeakPolarHBondContact CG-OG 3.15Å; R56-S61 VanDerWaalsContact CZ-O 3.28Å; R56-S61 PolarHBondContact NE-O 3.05Å; R56-S61 PolarHBondContact NH2-O 3.13Å; R56-W63 HydrophobicContact CB-CD2 4.15Å; R56-W63 HydrophobicContact CB-CE3 3.78Å; R56-W63 HydrophobicContact CB-CH2 4.35Å; R56-W63 HydrophobicContact CB-CZ3 3.89Å; R56-W63 HydrophobicContact CG-CD2 4.33Å; R56-W63 HydrophobicContact CG-CE3 4.45Å |
| 57 | Y | 85 | Confident | 89.1 | Confident | 5 Ų | 5 | 29.5 Ų | 29.5 | 2% | 0.02 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -89.7 | -27.5 | -171.5 | -60.7 | -24.7 | 0 | 0 | 0 | 113.5 | I55 S61 R64 Y158 E159 I162 E163 L166 L808 | I55-Y57 HydrophobicContact CG2-CD1 4.45Å; I55-Y57 HydrophobicContact CG2-CE1 3.87Å; Y57-S61 PolarHBondContact N-OG 3.04Å; Y57-R64 VanDerWaalsContact CE2-CD 3.47Å; Y57-R64 VanDerWaalsContact CE2-NE 3.25Å; Y57-Y158 VanDerWaalsContact O-CE1 3.28Å; Y57-Y158 WeakPolarHBondContact O-CE1 3.38Å; Y57-Y158 PolarHBondContact O-OH 2.8Å; Y57-E159 HydrophobicContact CD2-CB 3.7Å; Y57-E159 HydrophobicContact CD2-CG 3.73Å; Y57-E159 HydrophobicContact CE2-CB 4.25Å; Y57-E159 HydrophobicContact CG-CG 4.46Å; Y57-I162 HydrophobicContact CD1-CG2 3.87Å; Y57-I162 HydrophobicContact CE1-CG2 3.92Å; Y57-I162 HydrophobicContact CG-CG2 4.38Å; Y57-E163 HydrophobicContact CE2-CB 3.98Å; Y57-E163 WeakPolarHBondContact OH-CB 3.43Å; Y57-L166 HydrophobicContact CD1-CD1 4.44Å; Y57-L166 HydrophobicContact CE1-CD1 3.5Å; Y57-L808 HydrophobicContact CD1-CD2 3.8Å; Y57-L808 HydrophobicContact CE1-CD2 4.47Å |
| 58 | H | 77.9 | Confident | 89.3 | Confident | 30 Ų | 30 | 26.4 Ų | 26.4 | 14% | 0.139 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -160.9 | 175.4 | 166.1 | 58.8 | 88.5 | 0 | 0 | 0 | 110.3 | R56 D60 S61 E159 | R56-H58 PolarHBondContact NE-O 2.8Å; H58-D60 IonicContact CE1-OD2 3.18Å; H58-D60 PolarHBondContact CE1-OD2 3.11Å; H58-D60 PolarHBondContact ND1-N 3.09Å; H58-D60 IonicContact ND1-OD2 3.57Å; H58-D60 PolarHBondContact ND1-OD2 2.96Å; H58-D60 PolarHBondContact O-N 3.48Å; H58-S61 PolarHBondContact CE1-N 3.19Å; H58-S61 VanDerWaalsContact CE1-N 3.32Å; H58-S61 PolarHBondContact ND1-N 3.23Å; H58-S61 PolarHBondContact O-N 3.41Å; H58-S61 VanDerWaalsContact O-N 3.11Å; H58-S61 PolarHBondContact O-OG 3.38Å; H58-E159 IonicContact NE2-OE1 3.63Å |
| 59 | S | 77.2 | Confident | 89.3 | Confident | 89 Ų | 89 | 26.5 Ų | 26.5 | 62% | 0.622 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -14.5 | -179.1 | 52.8 | 0 | 0 | 0 | 0 | 117.4 | R56 | R56-S59 VanDerWaalsContact CZ-C 3.45Å; R56-S59 VanDerWaalsContact NH1-C 3.3Å; R56-S59 PolarHBondContact NH1-O 2.93Å; R56-S59 VanDerWaalsContact NH2-C 3.31Å; R56-S59 PolarHBondContact NH2-O 3.19Å |
| 60 | D | 76.1 | Confident | 89.2 | Confident | 90 Ų | 90 | 25.4 Ų | 25.4 | 48% | 0.481 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -135.5 | 9 | -175.3 | 14.6 | -80 | 0 | 0 | 0 | 113.5 | H58 K155 | H58-D60 IonicContact CE1-OD2 3.18Å; H58-D60 PolarHBondContact CE1-OD2 3.11Å; H58-D60 PolarHBondContact ND1-N 3.09Å; H58-D60 IonicContact ND1-OD2 3.57Å; H58-D60 PolarHBondContact ND1-OD2 2.96Å; H58-D60 PolarHBondContact O-N 3.48Å; D60-K155 IonicContact OD2-NZ 2.71Å; D60-K155 PolarHBondContact OD2-NZ 2.89Å |
| 61 | S | 81.8 | Confident | 89.2 | Confident | 4 Ų | 4 | 26 Ų | 26 | 3% | 0.028 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -77.2 | 159.2 | 166.7 | 83 | 0 | 0 | 0 | 0 | 110.3 | R56 Y57 H58 | R56-S61 WeakPolarHBondContact CG-OG 3.15Å; R56-S61 VanDerWaalsContact CZ-O 3.28Å; R56-S61 PolarHBondContact NE-O 3.05Å; R56-S61 PolarHBondContact NH2-O 3.13Å; Y57-S61 PolarHBondContact N-OG 3.04Å; H58-S61 PolarHBondContact CE1-N 3.19Å; H58-S61 VanDerWaalsContact CE1-N 3.32Å; H58-S61 PolarHBondContact ND1-N 3.23Å; H58-S61 PolarHBondContact O-N 3.41Å; H58-S61 VanDerWaalsContact O-N 3.11Å; H58-S61 PolarHBondContact O-OG 3.38Å |
| 62 | D | 86 | Confident | 89.1 | Confident | 74 Ų | 74 | 32 Ų | 32 | 40% | 0.396 | 16% | 0.16 | S | C | . | . | P | Polyproline II helix | trans | -61.4 | 154.1 | 163.1 | -68.2 | -14.5 | 0 | 0 | 0 | 109.9 | V93 N95 | D62-V93 HydrophobicContact CB-CG1 3.53Å; D62-V93 WeakPolarHBondContact OD2-CG1 3.43Å; D62-N95 PolarHBondContact OD2-ND2 3.18Å |
| 63 | W | 90.5 | Very high | 89 | Confident | 70 Ų | 70 | 35.4 Ų | 35.4 | 27% | 0.265 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 151 | 166 | -75.6 | 101.1 | 0 | 0 | 0 | 110.1 | V25 K54 R56 L94 | V25-W63 PolarHBondContact O-NE1 3.13Å; V25-W63 VanDerWaalsContact O-NE1 3.17Å; K54-W63 HydrophobicContact CB-CE3 4.35Å; K54-W63 HydrophobicContact CD-CD2 4.46Å; K54-W63 HydrophobicContact CD-CE3 3.83Å; K54-W63 HydrophobicContact CD-CH2 4.5Å; K54-W63 HydrophobicContact CD-CZ3 3.86Å; K54-W63 HydrophobicContact CG-CE3 4.22Å; K54-W63 HydrophobicContact CG-CZ3 4.16Å; R56-W63 HydrophobicContact CB-CD2 4.15Å; R56-W63 HydrophobicContact CB-CE3 3.78Å; R56-W63 HydrophobicContact CB-CH2 4.35Å; R56-W63 HydrophobicContact CB-CZ3 3.89Å; R56-W63 HydrophobicContact CG-CD2 4.33Å; R56-W63 HydrophobicContact CG-CE3 4.45Å; W63-L94 HydrophobicContact CB-CB 3.99Å; W63-L94 HydrophobicContact CB-CD1 3.75Å; W63-L94 HydrophobicContact CB-CG 4.11Å; W63-L94 WeakPolarHBondContact O-CB 3.5Å; W63-L94 PolarHBondContact O-N 3.32Å |
| 64 | R | 91.5 | Very high | 88.9 | Confident | 28 Ų | 28 | 37.4 Ų | 37.4 | 11% | 0.106 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 131.1 | 178 | -62.1 | -179.5 | -174.2 | -130.1 | 11.9 | 111 | K54 I55 Y57 F66 V91 L92 V93 E159 E163 | K54-R64 CarbonylContact C-O 3.48Å; K54-R64 VanDerWaalsContact CA-O 3.31Å; K54-R64 WeakPolarHBondContact CA-O 3.25Å; I55-R64 HydrophobicContact CG2-CB 4.27Å; I55-R64 PolarHBondContact N-O 2.78Å; I55-R64 PolarHBondContact O-N 3.34Å; Y57-R64 VanDerWaalsContact CE2-CD 3.47Å; Y57-R64 VanDerWaalsContact CE2-NE 3.25Å; R64-F66 HydrophobicContact CB-CE2 4.08Å; R64-V91 HydrophobicContact CB-CG1 3.94Å; R64-V91 HydrophobicContact CG-CG1 4.46Å; R64-L92 CarbonylContact C-O 3.56Å; R64-L92 VanDerWaalsContact CA-O 3.31Å; R64-L92 WeakPolarHBondContact CA-O 3.19Å; R64-V93 HydrophobicContact CG-CG2 4.4Å; R64-E159 IonicContact CZ-OE2 2.78Å; R64-E159 IonicContact NE-OE2 3.63Å; R64-E159 IonicContact NH2-OE2 3.52Å; R64-E159 PolarHBondContact NH2-OE2 2.95Å; R64-E163 IonicContact CZ-OE1 3.97Å; R64-E163 IonicContact CZ-OE2 3.82Å; R64-E163 IonicContact NH1-OE1 2.76Å; R64-E163 PolarHBondContact NH1-OE1 3.1Å; R64-E163 IonicContact NH1-OE2 3.48Å; R64-E163 PolarHBondContact NH1-OE2 2.78Å; R64-E163 IonicContact NH2-OE2 3.33Å |
| 65 | L | 93.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 124 | 179.9 | -174.6 | 73.5 | 0 | 0 | 0 | 109.8 | I12 C21 L28 K54 L67 V91 L92 L94 | I12-L65 HydrophobicContact CD1-CD2 4.18Å; C21-L65 HydrophobicContact CB-CD2 4.25Å; L28-L65 HydrophobicContact CD2-CD1 4.39Å; K54-L65 HydrophobicContact CB-CD1 4.33Å; L65-L67 HydrophobicContact CD2-CD1 4.28Å; L65-L67 HydrophobicContact CD2-CD2 3.88Å; L65-L67 HydrophobicContact CD2-CG 4.28Å; L65-L67 HydrophobicContact CG-CD2 3.86Å; L65-L67 HydrophobicContact CG-CG 4.24Å; L65-V91 WeakPolarHBondContact O-CA 3.47Å; L65-L92 HydrophobicContact CB-CB 4.41Å; L65-L92 HydrophobicContact CD2-CD1 4.39Å; L65-L92 PolarHBondContact N-O 2.84Å; L65-L92 PolarHBondContact O-N 2.97Å; L65-L94 HydrophobicContact CB-CD2 3.98Å; L65-L94 HydrophobicContact CB-CG 4.43Å |
| 66 | F | 93.9 | Very high | 89.1 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 1% | 0.013 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 123.2 | -177.9 | -80.2 | -119.4 | 0 | 0 | 0 | 109.9 | I52 G53 I55 R64 V89 V91 L166 L170 | I52-F66 HydrophobicContact CB-CB 3.9Å; I52-F66 WeakPolarHBondContact CB-O 3.48Å; I52-F66 HydrophobicContact CD1-CB 4.36Å; I52-F66 HydrophobicContact CG2-CB 4.37Å; I52-F66 PolarHBondContact N-O 3.08Å; G53-F66 PolarHBondContact N-O 3.29Å; G53-F66 PolarHBondContact O-N 3.07Å; I55-F66 HydrophobicContact CG2-CD2 3.89Å; I55-F66 HydrophobicContact CG2-CE2 3.42Å; I55-F66 VanDerWaalsContact CG2-CE2 3.42Å; I55-F66 HydrophobicContact CG2-CZ 4.25Å; R64-F66 HydrophobicContact CB-CE2 4.08Å; F66-V89 HydrophobicContact CB-CG1 4.44Å; F66-V89 HydrophobicContact CD1-CG1 4.04Å; F66-V91 HydrophobicContact CD1-CG2 3.82Å; F66-V91 HydrophobicContact CD2-CG1 4.04Å; F66-V91 HydrophobicContact CD2-CG2 4.22Å; F66-V91 HydrophobicContact CE1-CG2 3.58Å; F66-V91 HydrophobicContact CE2-CB 4.47Å; F66-V91 HydrophobicContact CE2-CG1 3.66Å; F66-V91 HydrophobicContact CE2-CG2 3.98Å; F66-V91 HydrophobicContact CG-CG2 4.14Å; F66-V91 HydrophobicContact CZ-CG1 4.05Å; F66-V91 HydrophobicContact CZ-CG2 3.65Å; F66-L166 HydrophobicContact CE1-CB 4.35Å; F66-L166 HydrophobicContact CZ-CB 4.5Å; F66-L166 HydrophobicContact CZ-CD1 4.14Å; F66-L170 HydrophobicContact CD1-CD1 3.78Å; F66-L170 HydrophobicContact CE1-CD1 4.18Å |
| 67 | L | 94.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 138 | -172.4 | -57 | 178.9 | 0 | 0 | 0 | 111.5 | L3 I12 I48 V51 L65 S69 V89 T90 L92 | L3-L67 HydrophobicContact CD1-CD1 4.12Å; L3-L67 HydrophobicContact CD2-CD1 4.03Å; I12-L67 HydrophobicContact CD1-CD1 4.39Å; I12-L67 HydrophobicContact CD1-CD2 3.56Å; I48-L67 HydrophobicContact CD1-CB 4.25Å; I48-L67 HydrophobicContact CD1-CD1 4.12Å; I48-L67 HydrophobicContact CD1-CD2 3.9Å; I48-L67 HydrophobicContact CD1-CG 4.32Å; I48-L67 HydrophobicContact CG2-CB 4.39Å; I48-L67 HydrophobicContact CG2-CD1 4.46Å; V51-L67 HydrophobicContact CB-CD2 4.45Å; V51-L67 HydrophobicContact CG1-CD2 4.1Å; V51-L67 HydrophobicContact CG2-CD2 4.21Å; L65-L67 HydrophobicContact CD2-CD1 4.28Å; L65-L67 HydrophobicContact CD2-CD2 3.88Å; L65-L67 HydrophobicContact CD2-CG 4.28Å; L65-L67 HydrophobicContact CG-CD2 3.86Å; L65-L67 HydrophobicContact CG-CG 4.24Å; L67-S69 PolarHBondContact O-N 3.11Å; L67-V89 CarbonylContact O-C 3.48Å; L67-V89 VanDerWaalsContact O-CA 3.28Å; L67-V89 WeakPolarHBondContact O-CA 3.31Å; L67-V89 WeakPolarHBondContact O-CG1 3.41Å; L67-T90 PolarHBondContact N-O 2.92Å; L67-T90 PolarHBondContact O-N 3.44Å; L67-L92 HydrophobicContact CD1-CD1 3.65Å; L67-L92 HydrophobicContact CD1-CG 3.99Å |
| 68 | I | 94.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 101.5 | 176.4 | -51.2 | 175.1 | 0 | 0 | 0 | 108.1 | I48 D49 G50 I52 I86 F180 M295 I297 | I48-I68 WeakPolarHBondContact CB-O 3.43Å; D49-I68 HydrophobicContact CB-CB 4.37Å; D49-I68 HydrophobicContact CB-CG2 4.01Å; D49-I68 PolarHBondContact N-O 2.84Å; G50-I68 PolarHBondContact O-N 3.1Å; I52-I68 HydrophobicContact CD1-CG1 4.08Å; I52-I68 HydrophobicContact CG1-CD1 4.32Å; I52-I68 HydrophobicContact CG1-CG1 3.67Å; I68-I86 HydrophobicContact CD1-CD1 3.85Å; I68-I86 HydrophobicContact CD1-CG1 4Å; I68-I86 HydrophobicContact CG1-CD1 4.08Å; I68-I86 HydrophobicContact CG1-CG1 4.33Å; I68-I86 HydrophobicContact CG2-CG1 4.34Å; I68-I86 HydrophobicContact CG2-CG2 4.42Å; I68-F180 HydrophobicContact CD1-CD1 3.95Å; I68-F180 HydrophobicContact CD1-CE1 3.82Å; I68-F180 HydrophobicContact CD1-CE2 4.45Å; I68-F180 HydrophobicContact CD1-CG 4.33Å; I68-F180 HydrophobicContact CD1-CZ 4.08Å; I68-F180 HydrophobicContact CG2-CE1 4.21Å; I68-F180 HydrophobicContact CG2-CZ 4.3Å; I68-M295 HydrophobicContact CD1-SD 4.1Å; I68-I297 HydrophobicContact CD1-CD1 4.31Å |
| 69 | S | 91.9 | Very high | 89.9 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 3% | 0.028 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -17.3 | -178 | 48.2 | 0 | 0 | 0 | 0 | 114.2 | L67 R88 T90 L104 | L67-S69 PolarHBondContact O-N 3.11Å; S69-R88 PolarHBondContact N-O 3.23Å; S69-R88 PolarHBondContact OG-O 3.37Å; S69-T90 WeakPolarHBondContact CB-OG1 3.38Å; S69-T90 PolarHBondContact OG-N 3.39Å; S69-T90 PolarHBondContact OG-OG1 2.88Å; S69-L104 VanDerWaalsContact CB-CD2 3.46Å |
| 70 | S | 90.9 | Very high | 90.5 | Very high | 25 Ų | 25 | 41.3 Ų | 41.3 | 18% | 0.175 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 150.2 | 157.2 | 66.2 | 0 | 0 | 0 | 0 | 112.6 | D49 S87 R88 | D49-S70 WeakPolarHBondContact OD2-CA 3.44Å; S70-S87 WeakPolarHBondContact O-CA 3.32Å; S70-S87 PolarHBondContact O-N 2.92Å; S70-S87 PolarHBondContact O-OG 3.44Å; S70-S87 PolarHBondContact OG-OG 3.36Å; S70-R88 PolarHBondContact N-O 3.31Å; S70-R88 PolarHBondContact O-N 3.33Å; S70-R88 WeakPolarHBondContact OG-CB 3.3Å; S70-R88 WeakPolarHBondContact OG-CG 3.12Å |
| 71 | S | 92.6 | Very high | 91.2 | Very high | 14 Ų | 14 | 38.8 Ų | 38.8 | 10% | 0.098 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 163.9 | 174.1 | 62.7 | 0 | 0 | 0 | 0 | 111.7 | D49 R84 R85 S87 | D49-S71 VanDerWaalsContact OD2-CB 3.26Å; D49-S71 WeakPolarHBondContact OD2-CB 3.14Å; D49-S71 PolarHBondContact OD2-N 2.92Å; D49-S71 PolarHBondContact OD2-OG 3.44Å; S71-R84 PolarHBondContact OG-NE 2.81Å; S71-R84 PolarHBondContact OG-NH2 2.78Å; S71-R84 VanDerWaalsContact OG-NH2 3.15Å; S71-R85 CarbonylContact C-O 3.43Å; S71-R85 VanDerWaalsContact CA-O 3.23Å; S71-R85 WeakPolarHBondContact CA-O 3.19Å; S71-R85 WeakPolarHBondContact CB-O 3.35Å; S71-S87 PolarHBondContact N-OG 3.44Å |
| 72 | K | 92.1 | Very high | 91.8 | Very high | 127 Ų | 127 | 40.8 Ų | 40.8 | 55% | 0.552 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 135.4 | 171.4 | -67.5 | -179.4 | 177.6 | -179 | 0 | 109.2 | R84 R85 | K72-R84 CarbonylContact O-C 3.6Å; K72-R84 WeakPolarHBondContact O-CA 3.31Å; K72-R85 PolarHBondContact N-O 2.68Å; K72-R85 PolarHBondContact O-N 3.23Å |
| 73 | S | 93.3 | Very high | 92.3 | Very high | 70 Ų | 70 | 37.2 Ų | 37.2 | 49% | 0.49 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 146.9 | 168.6 | -163.5 | 0 | 0 | 0 | 0 | 110.4 | E82 | S73-E82 WeakPolarHBondContact CB-OE1 3.41Å; S73-E82 PolarHBondContact OG-OE1 3.32Å |
| 74 | V | 92.7 | Very high | 92.5 | Very high | 43 Ų | 43 | 36.6 Ų | 36.6 | 26% | 0.261 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | -39.5 | -179.5 | -170.8 | 0 | 0 | 0 | 0 | 110.9 | V83 R85 Y179 F304 | V74-V83 HydrophobicContact CB-CB 4.48Å; V74-V83 HydrophobicContact CB-CG1 4.29Å; V74-V83 WeakPolarHBondContact CB-O 3.36Å; V74-V83 HydrophobicContact CG2-CG1 4.45Å; V74-V83 WeakPolarHBondContact CG2-O 3.43Å; V74-V83 PolarHBondContact N-O 3.22Å; V74-R85 HydrophobicContact CG2-CB 3.65Å; V74-Y179 HydrophobicContact CG1-CE1 4.36Å; V74-Y179 HydrophobicContact CG2-CD1 4.15Å; V74-Y179 HydrophobicContact CG2-CE1 3.99Å; V74-F304 HydrophobicContact CB-CE2 4.42Å; V74-F304 HydrophobicContact CG1-CD2 4.02Å; V74-F304 HydrophobicContact CG1-CE2 4.06Å |
| 75 | G | 93 | Very high | 92.6 | Very high | 17 Ų | 17 | 37.2 Ų | 37.2 | 18% | 0.175 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.9 | 179.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V83 | G75-V83 PolarHBondContact O-N 2.71Å |
| 76 | I | 93.8 | Very high | 92.7 | Very high | 111 Ų | 111 | 37.2 Ų | 37.2 | 57% | 0.569 | 21% | 0.213 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 128.2 | 176 | -58 | 174.6 | 0 | 0 | 0 | 107.1 | L81 E82 F304 | I76-L81 WeakPolarHBondContact CA-O 3.37Å; I76-E82 HydrophobicContact CG1-CB 4.45Å; I76-E82 HydrophobicContact CG1-CG 4.32Å; I76-F304 VanDerWaalsContact O-CE1 3.31Å; I76-F304 WeakPolarHBondContact O-CE1 3.37Å |
| 77 | L | 93.3 | Very high | 92.5 | Very high | 13 Ų | 13 | 38.7 Ų | 38.7 | 7% | 0.068 | 22% | 0.224 | C | C | . | . | trans | -73.1 | 160.4 | 177.9 | -70.6 | 175.6 | 0 | 0 | 0 | 111.4 | D79 G80 L81 V83 L187 F304 I518 F520 I552 | L77-D79 WeakPolarHBondContact CB-OD1 3.5Å; L77-D79 PolarHBondContact O-N 2.98Å; L77-G80 PolarHBondContact O-N 3.4Å; L77-L81 HydrophobicContact CD1-CB 4.46Å; L77-L81 PolarHBondContact N-O 3.08Å; L77-V83 HydrophobicContact CD1-CG2 3.9Å; L77-V83 HydrophobicContact CD2-CG2 4.42Å; L77-V83 HydrophobicContact CG-CG2 3.8Å; L77-L187 HydrophobicContact CD1-CD2 3.83Å; L77-F304 HydrophobicContact CD2-CE1 4.22Å; L77-F304 HydrophobicContact CD2-CZ 3.96Å; L77-F304 HydrophobicContact CG-CZ 4.41Å; L77-I518 HydrophobicContact CD2-CD1 4.07Å; L77-I518 HydrophobicContact CD2-CG2 4.4Å; L77-F520 HydrophobicContact CD1-CE2 4.29Å; L77-F520 HydrophobicContact CD2-CD2 4.32Å; L77-I552 HydrophobicContact CD2-CD1 4.18Å | ||
| 78 | P | 89.2 | Confident | 92.3 | Very high | 47 Ų | 47 | 43.4 Ų | 43.4 | 31% | 0.305 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -12.2 | 177.9 | -25.5 | 37 | 0 | 0 | 0 | 115.4 | G80 I518 I552 H554 T563 | P78-G80 VanDerWaalsContact C-N 3.31Å; P78-I518 HydrophobicContact CG-CD1 4.26Å; P78-I552 HydrophobicContact CG-CG2 4.01Å; P78-H554 HydrophobicContact CG-CB 3.85Å; P78-T563 HydrophobicContact CB-CG2 3.96Å; P78-T563 HydrophobicContact CG-CG2 4.01Å |
| 79 | D | 86.4 | Confident | 92.1 | Very high | 72 Ų | 72 | 44 Ų | 44 | 39% | 0.385 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 6.4 | 170.8 | 65 | -1.5 | 0 | 0 | 0 | 113.2 | L77 L81 K194 | L77-D79 WeakPolarHBondContact CB-OD1 3.5Å; L77-D79 PolarHBondContact O-N 2.98Å; D79-L81 WeakPolarHBondContact OD1-CB 3.4Å; D79-L81 WeakPolarHBondContact OD1-CG 3.23Å; D79-L81 PolarHBondContact OD1-N 3.09Å; D79-L81 WeakPolarHBondContact OD2-CD1 3.48Å; D79-K194 WeakPolarHBondContact OD2-CD 3.13Å; D79-K194 IonicContact OD2-NZ 3.91Å; D79-K194 PolarHBondContact OD2-NZ 3.44Å |
| 80 | G | 88.4 | Confident | 92.1 | Very high | 56 Ų | 56 | 44.5 Ų | 44.5 | 58% | 0.577 | 25% | 0.248 | S | C | * | . | S | Bend | trans | 86.3 | -1.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L77 P78 E82 | L77-G80 PolarHBondContact O-N 3.4Å; P78-G80 VanDerWaalsContact C-N 3.31Å; G80-E82 PolarHBondContact O-N 3.4Å |
| 81 | L | 91.8 | Very high | 92.1 | Very high | 37 Ų | 37 | 44.8 Ų | 44.8 | 19% | 0.194 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -77.2 | 122.7 | -177.1 | -62.5 | -178.5 | 0 | 0 | 0 | 112.5 | I76 L77 D79 V83 D186 L187 | I76-L81 WeakPolarHBondContact CA-O 3.37Å; L77-L81 HydrophobicContact CD1-CB 4.46Å; L77-L81 PolarHBondContact N-O 3.08Å; D79-L81 WeakPolarHBondContact OD1-CB 3.4Å; D79-L81 WeakPolarHBondContact OD1-CG 3.23Å; D79-L81 PolarHBondContact OD1-N 3.09Å; D79-L81 WeakPolarHBondContact OD2-CD1 3.48Å; L81-V83 PolarHBondContact O-N 2.99Å; L81-D186 VanDerWaalsContact CD1-O 3.29Å; L81-D186 WeakPolarHBondContact CD1-O 3.39Å; L81-L187 HydrophobicContact CB-CD2 4.46Å; L81-L187 HydrophobicContact CD1-CD2 4.24Å |
| 82 | E | 95.1 | Very high | 92 | Very high | 45 Ų | 45 | 44.2 Ų | 44.2 | 21% | 0.21 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 120.4 | 170.3 | -164.7 | -155.8 | 166.4 | 0 | 0 | 110.2 | S73 I76 G80 R84 S181 P182 | S73-E82 WeakPolarHBondContact CB-OE1 3.41Å; S73-E82 PolarHBondContact OG-OE1 3.32Å; I76-E82 HydrophobicContact CG1-CB 4.45Å; I76-E82 HydrophobicContact CG1-CG 4.32Å; G80-E82 PolarHBondContact O-N 3.4Å; E82-R84 VanDerWaalsContact CD-CG 3.49Å; E82-R84 HydrophobicContact CG-CG 4.11Å; E82-R84 WeakPolarHBondContact OE1-CG 3.35Å; E82-R84 IonicContact OE1-CZ 2.79Å; E82-R84 IonicContact OE1-NE 3.32Å; E82-R84 IonicContact OE1-NH1 3.33Å; E82-R84 PolarHBondContact OE1-NH1 3.16Å; E82-R84 WeakPolarHBondContact OE2-CD 3.13Å; E82-R84 IonicContact OE2-CZ 3.62Å; E82-R84 IonicContact OE2-NH1 3.66Å; E82-R84 PolarHBondContact OE2-NH1 2.9Å; E82-S181 WeakPolarHBondContact O-CA 3.47Å; E82-S181 PolarHBondContact O-OG 3.05Å; E82-P182 HydrophobicContact CB-CG 4.11Å; E82-P182 WeakPolarHBondContact O-CD 3.31Å; E82-P182 WeakPolarHBondContact OE2-CG 3.33Å |
| 83 | V | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 121 | 173.1 | 179.2 | 0 | 0 | 0 | 0 | 109.5 | V74 G75 L77 L81 Y179 L187 V302 F304 F520 | V74-V83 HydrophobicContact CB-CB 4.48Å; V74-V83 HydrophobicContact CB-CG1 4.29Å; V74-V83 WeakPolarHBondContact CB-O 3.36Å; V74-V83 HydrophobicContact CG2-CG1 4.45Å; V74-V83 WeakPolarHBondContact CG2-O 3.43Å; V74-V83 PolarHBondContact N-O 3.22Å; G75-V83 PolarHBondContact O-N 2.71Å; L77-V83 HydrophobicContact CD1-CG2 3.9Å; L77-V83 HydrophobicContact CD2-CG2 4.42Å; L77-V83 HydrophobicContact CG-CG2 3.8Å; L81-V83 PolarHBondContact O-N 2.99Å; V83-Y179 HydrophobicContact CG1-CD1 3.79Å; V83-Y179 HydrophobicContact CG1-CG 4.45Å; V83-L187 HydrophobicContact CG1-CD1 4.28Å; V83-L187 HydrophobicContact CG2-CD1 4.22Å; V83-L187 HydrophobicContact CG2-CD2 3.99Å; V83-V302 HydrophobicContact CG1-CB 4.28Å; V83-V302 HydrophobicContact CG1-CG1 4.2Å; V83-V302 HydrophobicContact CG1-CG2 4.2Å; V83-F304 HydrophobicContact CB-CE2 4.41Å; V83-F304 HydrophobicContact CB-CZ 4.47Å; V83-F304 HydrophobicContact CG2-CZ 4.28Å; V83-F520 HydrophobicContact CG2-CE2 4.17Å |
| 84 | R | 94.8 | Very high | 91.6 | Very high | 56 Ų | 56 | 37.1 Ų | 37.1 | 21% | 0.211 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 135.6 | 179.2 | -60.8 | -175.5 | 75.5 | 88.8 | 8.3 | 111.7 | S71 K72 E82 Y179 F180 P182 | S71-R84 PolarHBondContact OG-NE 2.81Å; S71-R84 PolarHBondContact OG-NH2 2.78Å; S71-R84 VanDerWaalsContact OG-NH2 3.15Å; K72-R84 CarbonylContact O-C 3.6Å; K72-R84 WeakPolarHBondContact O-CA 3.31Å; E82-R84 VanDerWaalsContact CD-CG 3.49Å; E82-R84 HydrophobicContact CG-CG 4.11Å; E82-R84 WeakPolarHBondContact OE1-CG 3.35Å; E82-R84 IonicContact OE1-CZ 2.79Å; E82-R84 IonicContact OE1-NE 3.32Å; E82-R84 IonicContact OE1-NH1 3.33Å; E82-R84 PolarHBondContact OE1-NH1 3.16Å; E82-R84 WeakPolarHBondContact OE2-CD 3.13Å; E82-R84 IonicContact OE2-CZ 3.62Å; E82-R84 IonicContact OE2-NH1 3.66Å; E82-R84 PolarHBondContact OE2-NH1 2.9Å; R84-Y179 CarbonylContact O-C 3.56Å; R84-Y179 VanDerWaalsContact O-CA 3.27Å; R84-Y179 WeakPolarHBondContact O-CA 3.46Å; R84-F180 HydrophobicContact CB-CD1 4.34Å; R84-F180 HydrophobicContact CB-CE1 3.93Å; R84-F180 HydrophobicContact CB-CE2 4.32Å; R84-F180 HydrophobicContact CB-CZ 3.92Å; R84-F180 PolarHBondContact N-O 3.33Å; R84-F180 WeakPolarHBondContact O-CD1 3.35Å; R84-F180 PolarHBondContact O-N 3.31Å; R84-P182 HydrophobicContact CG-CG 4.38Å |
| 85 | R | 94.3 | Very high | 91.2 | Very high | 42 Ų | 42 | 36.4 Ų | 36.4 | 16% | 0.158 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 130.6 | 178 | -174.1 | 170.1 | 92.4 | -173.8 | 13.9 | 110.5 | S71 K72 V74 S87 E175 S176 Y179 | S71-R85 CarbonylContact C-O 3.43Å; S71-R85 VanDerWaalsContact CA-O 3.23Å; S71-R85 WeakPolarHBondContact CA-O 3.19Å; S71-R85 WeakPolarHBondContact CB-O 3.35Å; K72-R85 PolarHBondContact N-O 2.68Å; K72-R85 PolarHBondContact O-N 3.23Å; V74-R85 HydrophobicContact CG2-CB 3.65Å; R85-S87 PolarHBondContact O-N 3.49Å; R85-E175 IonicContact CZ-OE1 3.54Å; R85-E175 IonicContact NH1-OE1 3.21Å; R85-E175 PolarHBondContact NH1-OE1 3.07Å; R85-E175 IonicContact NH2-OE1 2.63Å; R85-E175 PolarHBondContact NH2-OE1 3.18Å; R85-E175 VanDerWaalsContact NH2-OE1 3.13Å; R85-S176 WeakPolarHBondContact CD-O 3.42Å; R85-S176 WeakPolarHBondContact CG-OG 3.28Å; R85-Y179 HydrophobicContact CB-CD1 4.07Å; R85-Y179 HydrophobicContact CB-CE1 4.04Å; R85-Y179 HydrophobicContact CG-CD1 4.42Å; R85-Y179 HydrophobicContact CG-CE1 4.15Å |
| 86 | I | 93.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 135.1 | 174.4 | -63.5 | -176.1 | 0 | 0 | 0 | 109.3 | I52 I68 V89 S176 F178 F180 I297 | I52-I86 HydrophobicContact CD1-CD1 4.23Å; I68-I86 HydrophobicContact CD1-CD1 3.85Å; I68-I86 HydrophobicContact CD1-CG1 4Å; I68-I86 HydrophobicContact CG1-CD1 4.08Å; I68-I86 HydrophobicContact CG1-CG1 4.33Å; I68-I86 HydrophobicContact CG2-CG1 4.34Å; I68-I86 HydrophobicContact CG2-CG2 4.42Å; I86-V89 HydrophobicContact CG2-CG2 3.5Å; I86-V89 VanDerWaalsContact CG2-CG2 3.5Å; I86-S176 WeakPolarHBondContact O-CB 3.26Å; I86-S176 PolarHBondContact O-OG 2.73Å; I86-F178 HydrophobicContact CB-CB 4.37Å; I86-F178 HydrophobicContact CD1-CB 3.82Å; I86-F178 HydrophobicContact CG1-CB 4.19Å; I86-F178 PolarHBondContact N-O 3.11Å; I86-F180 HydrophobicContact CG1-CD1 3.96Å; I86-F180 HydrophobicContact CG1-CE1 4.01Å; I86-I297 HydrophobicContact CD1-CD1 4.33Å; I86-I297 HydrophobicContact CD1-CG2 4.31Å |
| 87 | S | 90.2 | Very high | 89.5 | Confident | 34 Ų | 34 | 38.8 Ų | 38.8 | 24% | 0.238 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | -33.2 | -179.4 | 69.1 | 0 | 0 | 0 | 0 | 114.1 | S70 S71 R85 | S70-S87 WeakPolarHBondContact O-CA 3.32Å; S70-S87 PolarHBondContact O-N 2.92Å; S70-S87 PolarHBondContact O-OG 3.44Å; S70-S87 PolarHBondContact OG-OG 3.36Å; S71-S87 PolarHBondContact N-OG 3.44Å; R85-S87 PolarHBondContact O-N 3.49Å |
| 88 | R | 90 | Very high | 88.1 | Confident | 99 Ų | 99 | 43.9 Ų | 43.9 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 142.8 | 168.8 | -66.1 | 172.3 | 56 | -149.6 | -13 | 109.8 | S69 S70 N103 | S69-R88 PolarHBondContact N-O 3.23Å; S69-R88 PolarHBondContact OG-O 3.37Å; S70-R88 PolarHBondContact N-O 3.31Å; S70-R88 PolarHBondContact O-N 3.33Å; S70-R88 WeakPolarHBondContact OG-CB 3.3Å; S70-R88 WeakPolarHBondContact OG-CG 3.12Å; R88-N103 PolarHBondContact NH2-O 3.48Å; R88-N103 VanDerWaalsContact NH2-O 3.07Å |
| 89 | V | 91.7 | Very high | 87.2 | Confident | 11 Ų | 11 | 43 Ų | 43 | 7% | 0.067 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 136.8 | 176.6 | 176.3 | 0 | 0 | 0 | 0 | 108.6 | I52 F66 L67 I86 L170 Q171 | I52-V89 HydrophobicContact CD1-CB 4.48Å; I52-V89 HydrophobicContact CD1-CG1 3.84Å; I52-V89 HydrophobicContact CD1-CG2 3.74Å; F66-V89 HydrophobicContact CB-CG1 4.44Å; F66-V89 HydrophobicContact CD1-CG1 4.04Å; L67-V89 CarbonylContact O-C 3.48Å; L67-V89 VanDerWaalsContact O-CA 3.28Å; L67-V89 WeakPolarHBondContact O-CA 3.31Å; L67-V89 WeakPolarHBondContact O-CG1 3.41Å; I86-V89 HydrophobicContact CG2-CG2 3.5Å; I86-V89 VanDerWaalsContact CG2-CG2 3.5Å; V89-L170 HydrophobicContact CG1-CD1 4.18Å; V89-L170 HydrophobicContact CG2-CB 3.99Å; V89-L170 HydrophobicContact CG2-CD1 4.27Å; V89-Q171 HydrophobicContact CB-CG 4.38Å; V89-Q171 HydrophobicContact CG2-CG 4.37Å; V89-Q171 PolarHBondContact O-NE2 3.13Å |
| 90 | T | 90.4 | Very high | 86.1 | Confident | 16 Ų | 16 | 42.2 Ų | 42.2 | 10% | 0.098 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 130.9 | 174.5 | -64.7 | 0 | 0 | 0 | 0 | 108.6 | L67 S69 L92 L102 | L67-T90 PolarHBondContact N-O 2.92Å; L67-T90 PolarHBondContact O-N 3.44Å; S69-T90 WeakPolarHBondContact CB-OG1 3.38Å; S69-T90 PolarHBondContact OG-N 3.39Å; S69-T90 PolarHBondContact OG-OG1 2.88Å; T90-L92 HydrophobicContact CG2-CD2 3.83Å; T90-L102 HydrophobicContact CG2-CB 4.35Å; T90-L102 HydrophobicContact CG2-CD2 3.94Å |
| 91 | V | 90.7 | Very high | 85 | Confident | 31 Ų | 31 | 44.6 Ų | 44.6 | 19% | 0.188 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 123.7 | 176 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | R64 L65 F66 I167 | R64-V91 HydrophobicContact CB-CG1 3.94Å; R64-V91 HydrophobicContact CG-CG1 4.46Å; L65-V91 WeakPolarHBondContact O-CA 3.47Å; F66-V91 HydrophobicContact CD1-CG2 3.82Å; F66-V91 HydrophobicContact CD2-CG1 4.04Å; F66-V91 HydrophobicContact CD2-CG2 4.22Å; F66-V91 HydrophobicContact CE1-CG2 3.58Å; F66-V91 HydrophobicContact CE2-CB 4.47Å; F66-V91 HydrophobicContact CE2-CG1 3.66Å; F66-V91 HydrophobicContact CE2-CG2 3.98Å; F66-V91 HydrophobicContact CG-CG2 4.14Å; F66-V91 HydrophobicContact CZ-CG1 4.05Å; F66-V91 HydrophobicContact CZ-CG2 3.65Å; V91-I167 HydrophobicContact CG2-CD1 4.18Å; V91-I167 HydrophobicContact CG2-CG1 4.31Å |
| 92 | L | 90.9 | Very high | 84.1 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 127.2 | 171.5 | -47.9 | -174.8 | 0 | 0 | 0 | 108.7 | L3 F10 R64 L65 L67 T90 L99 L102 | L3-L92 HydrophobicContact CD1-CD1 4.37Å; L3-L92 HydrophobicContact CD2-CD1 4.17Å; F10-L92 HydrophobicContact CD1-CD1 3.92Å; F10-L92 HydrophobicContact CD2-CD1 4.21Å; F10-L92 HydrophobicContact CE1-CD1 4.09Å; F10-L92 HydrophobicContact CE2-CB 4.31Å; F10-L92 HydrophobicContact CE2-CD1 4.37Å; F10-L92 HydrophobicContact CG-CD1 3.98Å; F10-L92 HydrophobicContact CZ-CB 4.44Å; F10-L92 HydrophobicContact CZ-CD1 4.3Å; R64-L92 CarbonylContact C-O 3.56Å; R64-L92 VanDerWaalsContact CA-O 3.31Å; R64-L92 WeakPolarHBondContact CA-O 3.19Å; L65-L92 HydrophobicContact CB-CB 4.41Å; L65-L92 HydrophobicContact CD2-CD1 4.39Å; L65-L92 PolarHBondContact N-O 2.84Å; L65-L92 PolarHBondContact O-N 2.97Å; L67-L92 HydrophobicContact CD1-CD1 3.65Å; L67-L92 HydrophobicContact CD1-CG 3.99Å; T90-L92 HydrophobicContact CG2-CD2 3.83Å; L92-L99 HydrophobicContact CD2-CD2 3.83Å; L92-L102 HydrophobicContact CD2-CD1 3.7Å; L92-L102 HydrophobicContact CD2-CD2 3.83Å; L92-L102 HydrophobicContact CD2-CG 4.44Å |
| 93 | V | 89.5 | Confident | 83.2 | Confident | 43 Ų | 43 | 47.6 Ų | 47.6 | 26% | 0.261 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 127.5 | 168.6 | -170.7 | 0 | 0 | 0 | 0 | 108 | D62 R64 N95 | D62-V93 HydrophobicContact CB-CG1 3.53Å; D62-V93 WeakPolarHBondContact OD2-CG1 3.43Å; R64-V93 HydrophobicContact CG-CG2 4.4Å; V93-N95 VanDerWaalsContact C-N 3.32Å; V93-N95 WeakPolarHBondContact CG1-ND2 3.47Å; V93-N95 PolarHBondContact O-N 3.39Å |
| 94 | L | 88.7 | Confident | 82.5 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 82.8 | 179.4 | -55.9 | -171.1 | 0 | 0 | 0 | 108.8 | F10 C21 R23 W63 L65 | F10-L94 HydrophobicContact CD2-CD2 3.52Å; F10-L94 HydrophobicContact CE2-CD2 3.59Å; C21-L94 WeakPolarHBondContact SG-CD1 3.28Å; R23-L94 CarbonylContact O-C 3.44Å; R23-L94 VanDerWaalsContact O-O 3.11Å; W63-L94 HydrophobicContact CB-CB 3.99Å; W63-L94 HydrophobicContact CB-CD1 3.75Å; W63-L94 HydrophobicContact CB-CG 4.11Å; W63-L94 WeakPolarHBondContact O-CB 3.5Å; W63-L94 PolarHBondContact O-N 3.32Å; L65-L94 HydrophobicContact CB-CD2 3.98Å; L65-L94 HydrophobicContact CB-CG 4.43Å |
| 95 | N | 83.9 | Confident | 81.7 | Confident | 28 Ų | 28 | 50.4 Ų | 50.4 | 15% | 0.15 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -148.9 | -179.1 | 169.6 | 66.1 | 32.1 | 0 | 0 | 0 | 109.9 | R23 D62 V93 T97 | R23-N95 PolarHBondContact NE-O 3.36Å; R23-N95 PolarHBondContact NH2-O 3.45Å; R23-N95 WeakPolarHBondContact O-CA 3.42Å; R23-N95 PolarHBondContact O-N 2.73Å; D62-N95 PolarHBondContact OD2-ND2 3.18Å; V93-N95 VanDerWaalsContact C-N 3.32Å; V93-N95 WeakPolarHBondContact CG1-ND2 3.47Å; V93-N95 PolarHBondContact O-N 3.39Å; N95-T97 VanDerWaalsContact C-N 3.3Å; N95-T97 PolarHBondContact O-N 3.07Å; N95-T97 VanDerWaalsContact OD1-CB 3.28Å; N95-T97 WeakPolarHBondContact OD1-CB 3.34Å; N95-T97 WeakPolarHBondContact OD1-CG2 3.48Å; N95-T97 PolarHBondContact OD1-N 3.14Å; N95-T97 PolarHBondContact OD1-OG1 2.8Å |
| 96 | T | 76 | Confident | 80.8 | Confident | 98 Ų | 98 | 53.1 Ų | 53.1 | 60% | 0.601 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -85.1 | 8.5 | 179.3 | 50 | 0 | 0 | 0 | 0 | 114.2 | L24 | L24-T96 HydrophobicContact CD2-CG2 3.89Š|
| 97 | T | 74.2 | Confident | 79.8 | Confident | 80 Ų | 80 | 53.5 Ų | 53.5 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -71.4 | 142.8 | 177.9 | 68.6 | 0 | 0 | 0 | 0 | 111.4 | R23 N95 L99 | R23-T97 PolarHBondContact NH2-O 3.24Å; N95-T97 VanDerWaalsContact C-N 3.3Å; N95-T97 PolarHBondContact O-N 3.07Å; N95-T97 VanDerWaalsContact OD1-CB 3.28Å; N95-T97 WeakPolarHBondContact OD1-CB 3.34Å; N95-T97 WeakPolarHBondContact OD1-CG2 3.48Å; N95-T97 PolarHBondContact OD1-N 3.14Å; N95-T97 PolarHBondContact OD1-OG1 2.8Å; T97-L99 PolarHBondContact O-N 3.4Å |
| 98 | P | 65.2 | Low | 78.5 | Confident | 119 Ų | 119 | 55.7 Ų | 55.7 | 77% | 0.773 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -73.3 | 126.5 | -176.7 | 28.2 | -34.5 | 0 | 0 | 0 | 111.4 | ||
| 99 | L | 70.4 | Confident | 77.2 | Confident | 30 Ų | 30 | 56.1 Ų | 56.1 | 16% | 0.157 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 130.5 | -175.7 | -61.3 | 93.3 | 0 | 0 | 0 | 111.8 | E5 F10 L92 T97 L102 K117 | E5-L99 VanDerWaalsContact CD-CD1 3.45Å; E5-L99 HydrophobicContact CG-CD1 4.43Å; E5-L99 WeakPolarHBondContact OE1-CD1 3.43Å; F10-L99 HydrophobicContact CE1-CD1 3.64Å; F10-L99 HydrophobicContact CE1-CD2 3.78Å; F10-L99 HydrophobicContact CE1-CG 4.38Å; F10-L99 HydrophobicContact CZ-CD1 3.7Å; F10-L99 HydrophobicContact CZ-CD2 3.77Å; F10-L99 HydrophobicContact CZ-CG 4.3Å; L92-L99 HydrophobicContact CD2-CD2 3.83Å; T97-L99 PolarHBondContact O-N 3.4Å; L99-L102 HydrophobicContact CD2-CD1 4.31Å; L99-L102 HydrophobicContact CD2-CD2 4.28Å; L99-K117 PolarHBondContact O-NZ 3.04Å |
| 100 | G | 62.5 | Low | 75.7 | Confident | 54 Ų | 54 | 60.9 Ų | 60.9 | 56% | 0.557 | 37% | 0.366 | S | S | * | . | trans | -67.1 | -172.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L102 | G100-L102 PolarHBondContact O-N 3.2Å; G100-L102 VanDerWaalsContact O-N 3.16Å | ||
| 101 | N | 66.1 | Low | 74.6 | Confident | 107 Ų | 107 | 61.4 Ų | 61.4 | 57% | 0.572 | 37% | 0.367 | S | S | * | . | trans | -71.7 | 111 | -177.1 | -68.7 | -1 | 0 | 0 | 0 | 111.1 | N103 | N101-N103 VanDerWaalsContact C-N 3.27Å; N101-N103 PolarHBondContact O-N 3.5Å | ||
| 102 | L | 72.8 | Confident | 73 | Confident | 38 Ų | 38 | 65.9 Ų | 65.9 | 20% | 0.199 | 40% | 0.397 | C | S | . | . | trans | -78.1 | -7.6 | -179.2 | -59.5 | 179.5 | 0 | 0 | 0 | 114.1 | L3 L45 T90 L92 L99 G100 L104 | L3-L102 HydrophobicContact CD2-CD1 4.34Å; L45-L102 HydrophobicContact CD1-CD1 3.87Å; T90-L102 HydrophobicContact CG2-CB 4.35Å; T90-L102 HydrophobicContact CG2-CD2 3.94Å; L92-L102 HydrophobicContact CD2-CD1 3.7Å; L92-L102 HydrophobicContact CD2-CD2 3.83Å; L92-L102 HydrophobicContact CD2-CG 4.44Å; L99-L102 HydrophobicContact CD2-CD1 4.31Å; L99-L102 HydrophobicContact CD2-CD2 4.28Å; G100-L102 PolarHBondContact O-N 3.2Å; G100-L102 VanDerWaalsContact O-N 3.16Å; L102-L104 VanDerWaalsContact C-N 3.3Å; L102-L104 HydrophobicContact CB-CD1 4.17Å; L102-L104 HydrophobicContact CB-CG 3.86Å; L102-L104 HydrophobicContact CD1-CD1 4.16Å; L102-L104 PolarHBondContact O-N 2.94Å | ||
| 103 | N | 75.2 | Confident | 71.8 | Confident | 107 Ų | 107 | 72.6 Ų | 72.6 | 57% | 0.572 | 43% | 0.428 | S | S | * | . | trans | 49.9 | 47.2 | -179.6 | -59.4 | -22.1 | 0 | 0 | 0 | 113.3 | R88 N101 | R88-N103 PolarHBondContact NH2-O 3.48Å; R88-N103 VanDerWaalsContact NH2-O 3.07Å; N101-N103 VanDerWaalsContact C-N 3.27Å; N101-N103 PolarHBondContact O-N 3.5Å | ||
| 104 | L | 81.2 | Confident | 70.8 | Confident | 20 Ų | 20 | 70.7 Ų | 70.7 | 11% | 0.105 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -88.6 | 161 | 174.3 | -59.6 | -179.5 | 0 | 0 | 0 | 111.3 | L3 L45 I48 S69 L102 | L3-L104 HydrophobicContact CD2-CD1 3.76Å; L45-L104 HydrophobicContact CB-CD1 4.46Å; I48-L104 HydrophobicContact CG2-CD1 4.24Å; I48-L104 HydrophobicContact CG2-CD2 4.17Å; S69-L104 VanDerWaalsContact CB-CD2 3.46Å; L102-L104 VanDerWaalsContact C-N 3.3Å; L102-L104 HydrophobicContact CB-CD1 4.17Å; L102-L104 HydrophobicContact CB-CG 3.86Å; L102-L104 HydrophobicContact CD1-CD1 4.16Å; L102-L104 PolarHBondContact O-N 2.94Å |
| 105 | N | 79.3 | Confident | 69.8 | Low | 94 Ų | 94 | 73.9 Ų | 73.9 | 50% | 0.503 | 44% | 0.437 | S | S | . | . | B | Isolated β-bridge | trans | -72.5 | 154.9 | 173.6 | -67.6 | -18.3 | 0 | 0 | 0 | 111.2 | G46 K47 | G46-N105 CarbonylContact C-O 3.43Å; G46-N105 WeakPolarHBondContact CA-O 3.46Å; K47-N105 HydrophobicContact CB-CB 4.38Å; K47-N105 PolarHBondContact N-O 3.33Å |
| 106 | S | 74.2 | Confident | 68.9 | Low | 99 Ų | 99 | 76.9 Ų | 76.9 | 69% | 0.692 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 142.8 | 177.9 | 41.6 | 0 | 0 | 0 | 0 | 112.6 | ||
| 107 | C | 73.6 | Confident | 68.3 | Low | 9 Ų | 9 | 75.8 Ų | 75.8 | 6% | 0.061 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 128.3 | 170.2 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | D2 C44 R109 H111 K116 | D2-C107 PolarHBondContact OD1-SG 3.01Å; D2-C107 PolarHBondContact OD2-SG 3.19Å; C44-C107 WeakPolarHBondContact SG-CB 3.43Å; C107-R109 PolarHBondContact SG-N 3.46Å; C107-R109 VanDerWaalsContact SG-N 3.41Å; C107-R109 PolarHBondContact SG-O 2.84Å; C107-H111 VanDerWaalsContact SG-CD2 3.55Å; C107-K116 PolarHBondContact O-NZ 3.41Å |
| 108 | T | 62.7 | Low | 67.2 | Low | 79 Ų | 79 | 79.1 Ų | 79.1 | 49% | 0.485 | 45% | 0.451 | S | S | . | . | trans | -91.6 | -13.9 | 178.4 | 59.9 | 0 | 0 | 0 | 0 | 113.1 | K47 S110 | K47-T108 VanDerWaalsContact CE-OG1 3.26Å; K47-T108 WeakPolarHBondContact CE-OG1 3.4Å; K47-T108 VanDerWaalsContact NZ-CG2 3.32Å; K47-T108 PolarHBondContact NZ-OG1 3.45Å; T108-S110 PolarHBondContact O-N 3.32Å | ||
| 109 | R | 63.1 | Low | 66.2 | Low | 109 Ų | 109 | 78.6 Ų | 78.6 | 41% | 0.411 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -68.7 | 132.8 | 168.6 | -72.7 | -175.3 | 175.2 | -176.9 | -3.2 | 108.5 | D2 C107 H111 K116 | D2-R109 WeakPolarHBondContact OD2-CD 3.4Å; C107-R109 PolarHBondContact SG-N 3.46Å; C107-R109 VanDerWaalsContact SG-N 3.41Å; C107-R109 PolarHBondContact SG-O 2.84Å; R109-H111 WeakPolarHBondContact CB-NE2 3.33Å; R109-H111 PolarHBondContact O-N 3.32Å; R109-K116 WeakPolarHBondContact O-CE 2.86Å; R109-K116 PolarHBondContact O-NZ 2.95Å |
| 110 | S | 58.5 | Low | 64.1 | Low | 110 Ų | 110 | 85.1 Ų | 85.1 | 77% | 0.769 | 47% | 0.468 | S | S | * | . | trans | -76.8 | 92.7 | 164 | 34 | 0 | 0 | 0 | 0 | 107.6 | T108 P112 | T108-S110 PolarHBondContact O-N 3.32Å; S110-P112 WeakPolarHBondContact O-CD 3.46Å | ||
| 111 | H | 67.7 | Low | 62.4 | Low | 28 Ų | 28 | 88.2 Ų | 88.2 | 13% | 0.13 | 48% | 0.478 | C | S | . | . | trans | -92.7 | 91.2 | 169.4 | -57.6 | -63.4 | 0 | 0 | 0 | 107.7 | D2 C107 R109 E113 I114 | D2-H111 IonicContact OD2-CE1 3.49Å; D2-H111 IonicContact OD2-NE2 3.46Å; D2-H111 PolarHBondContact OD2-NE2 3.41Å; C107-H111 VanDerWaalsContact SG-CD2 3.55Å; R109-H111 WeakPolarHBondContact CB-NE2 3.33Å; R109-H111 PolarHBondContact O-N 3.32Å; H111-E113 PolarHBondContact O-N 3.08Å; H111-I114 HydrophobicContact CB-CB 3.76Å; H111-I114 HydrophobicContact CB-CD1 4.21Å; H111-I114 HydrophobicContact CB-CG1 4.07Å; H111-I114 PolarHBondContact O-N 2.94Å | ||
| 112 | P | 58.3 | Low | 60.6 | Low | 124 Ų | 124 | 87.3 Ų | 87.3 | 81% | 0.805 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -29.2 | -172.3 | 25.6 | -35.2 | 0 | 0 | 0 | 113.1 | S110 | S110-P112 WeakPolarHBondContact O-CD 3.46Š|
| 113 | E | 64.7 | Low | 58.3 | Low | 143 Ų | 143 | 91.8 Ų | 91.8 | 67% | 0.668 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -16.6 | -177.7 | -64.2 | 172.7 | -178.9 | 0 | 0 | 113.4 | F37 H111 P115 | F37-E113 WeakPolarHBondContact CD1-OE2 3.45Å; H111-E113 PolarHBondContact O-N 3.08Å; E113-P115 WeakPolarHBondContact O-CD 3.36Å |
| 114 | I | 69.3 | Low | 56.2 | Low | 4 Ų | 4 | 94.1 Ų | 94.1 | 2% | 0.021 | 51% | 0.513 | C | S | . | . | S | Bend | trans | -104.2 | 105.8 | -173.6 | -53.4 | -176.6 | 0 | 0 | 0 | 109.8 | I4 V36 F37 P42 C44 H111 K116 | I4-I114 HydrophobicContact CD1-CD1 4.04Å; V36-I114 HydrophobicContact CG1-CD1 3.91Å; F37-I114 HydrophobicContact CE1-CD1 4.2Å; F37-I114 HydrophobicContact CE1-CG1 4.45Å; P42-I114 HydrophobicContact CB-CG2 4.1Å; P42-I114 HydrophobicContact CG-CG1 4.16Å; P42-I114 HydrophobicContact CG-CG2 4.36Å; C44-I114 HydrophobicContact CB-CG2 4.06Å; H111-I114 HydrophobicContact CB-CB 3.76Å; H111-I114 HydrophobicContact CB-CD1 4.21Å; H111-I114 HydrophobicContact CB-CG1 4.07Å; H111-I114 PolarHBondContact O-N 2.94Å; I114-K116 PolarHBondContact O-N 3.05Å |
| 115 | P | 67.5 | Low | 53.7 | Low | 71 Ų | 71 | 100 Ų | 100 | 46% | 0.461 | 54% | 0.544 | S | S | . | . | trans | -57.3 | 124.2 | 178.2 | 21.4 | -33.7 | 0 | 0 | 0 | 112.1 | P42 V43 C44 E113 | P42-P115 VanDerWaalsContact O-CD 3.3Å; P42-P115 WeakPolarHBondContact O-CD 3.48Å; P42-P115 WeakPolarHBondContact O-CG 3.41Å; V43-P115 WeakPolarHBondContact CA-O 3.35Å; V43-P115 HydrophobicContact CG2-CG 4.41Å; C44-P115 PolarHBondContact N-O 3.26Å; E113-P115 WeakPolarHBondContact O-CD 3.36Å | ||
| 116 | K | 64.5 | Low | 51.2 | Low | 91 Ų | 91 | 102.2 Ų | 102.2 | 40% | 0.396 | 56% | 0.555 | S | S | . | * | B | Isolated β-bridge | trans | -73 | 132.3 | 169.5 | -62.1 | -173.5 | 178.9 | -174.8 | 0 | 108.8 | C44 C107 R109 I114 N118 | C44-K116 HydrophobicContact CB-CG 4.23Å; C107-K116 PolarHBondContact O-NZ 3.41Å; R109-K116 WeakPolarHBondContact O-CE 2.86Å; R109-K116 PolarHBondContact O-NZ 2.95Å; I114-K116 PolarHBondContact O-N 3.05Å; K116-N118 PolarHBondContact O-N 2.98Å |
| 117 | K | 64.1 | Low | 48.9 | Very low | 75 Ų | 75 | 103.5 Ų | 103.5 | 33% | 0.326 | 56% | 0.562 | S | S | . | * | trans | -65.5 | 90.4 | -178.4 | -168.4 | 165.6 | -179.2 | 171.6 | 0 | 110.4 | E5 V43 C44 L45 L99 I119 | E5-K117 IonicContact OE2-NZ 3.5Å; V43-K117 HydrophobicContact CG1-CB 3.88Å; V43-K117 HydrophobicContact CG1-CD 4.48Å; V43-K117 HydrophobicContact CG1-CG 4.41Å; C44-K117 PolarHBondContact O-N 3.13Å; L45-K117 HydrophobicContact CD2-CB 4.49Å; L45-K117 HydrophobicContact CD2-CD 3.4Å; L99-K117 PolarHBondContact O-NZ 3.04Å; K117-I119 WeakPolarHBondContact O-CG1 3.24Å; K117-I119 PolarHBondContact O-N 2.91Å | ||
| 118 | N | 49.5 | Very low | 46.9 | Very low | 150 Ų | 150 | 109.7 Ų | 109.7 | 80% | 0.802 | 59% | 0.589 | S | S | * | * | trans | -58.5 | 101.6 | -173.9 | -96.8 | -34.7 | 0 | 0 | 0 | 112 | K116 K120 | K116-N118 PolarHBondContact O-N 2.98Å; N118-K120 PolarHBondContact O-N 3.19Å | ||
| 119 | I | 44.2 | Very low | 45.5 | Very low | 109 Ų | 109 | 112.1 Ų | 112.1 | 56% | 0.559 | 59% | 0.59 | S | S | * | * | trans | -73.2 | 78.8 | 175.5 | -48.6 | 179 | 0 | 0 | 0 | 108.6 | K117 P121 | K117-I119 WeakPolarHBondContact O-CG1 3.24Å; K117-I119 PolarHBondContact O-N 2.91Å; I119-P121 WeakPolarHBondContact O-CD 3.27Å | ||
| 120 | K | 28.1 | Very low | 44.3 | Very low | 167 Ų | 167 | 111.9 Ų | 111.9 | 73% | 0.726 | 60% | 0.603 | S | S | * | * | trans | -58.1 | 121.5 | 159.9 | -75.6 | -173 | 176.5 | -179.7 | 0 | 106.8 | N118 T122 | N118-K120 PolarHBondContact O-N 3.19Å; K120-T122 PolarHBondContact O-N 2.81Å; K120-T122 PolarHBondContact O-OG1 3.42Å; K120-T122 VanDerWaalsContact O-OG1 3.13Å | ||
| 121 | P | 25.5 | Very low | 43.1 | Very low | 118 Ų | 118 | 113 Ų | 113 | 77% | 0.766 | 59% | 0.594 | S | S | * | * | trans | -65.7 | 92.7 | 176.5 | 27.2 | -33.3 | 0 | 0 | 0 | 107.3 | I119 T123 | I119-P121 WeakPolarHBondContact O-CD 3.27Å; P121-T123 PolarHBondContact O-N 2.85Å | ||
| 122 | T | 28.5 | Very low | 41.5 | Very low | 89 Ų | 89 | 115.7 Ų | 115.7 | 55% | 0.546 | 61% | 0.607 | S | S | . | * | trans | -72.2 | 112.2 | -170.9 | -53.3 | 0 | 0 | 0 | 0 | 106.6 | K120 Q124 | K120-T122 PolarHBondContact O-N 2.81Å; K120-T122 PolarHBondContact O-OG1 3.42Å; K120-T122 VanDerWaalsContact O-OG1 3.13Å; T122-Q124 HydrophobicContact CG2-CG 3.51Å; T122-Q124 PolarHBondContact O-N 3.28Å | ||
| 123 | T | 25.6 | Very low | 40.5 | Very low | 132 Ų | 132 | 117.6 Ų | 117.6 | 81% | 0.81 | 60% | 0.603 | S | S | * | * | trans | -68.6 | 68.6 | 176.4 | 36.2 | 0 | 0 | 0 | 0 | 109.8 | P121 N125 | P121-T123 PolarHBondContact O-N 2.85Å; T123-N125 PolarHBondContact O-N 2.92Å | ||
| 124 | Q | 31 | Very low | 39.3 | Very low | 156 Ų | 156 | 115.6 Ų | 115.6 | 73% | 0.729 | 60% | 0.596 | S | S | * | * | trans | -74.3 | 78.9 | -176.6 | -68.3 | -164.8 | 0.7 | 0 | 0 | 111.1 | T122 | T122-Q124 HydrophobicContact CG2-CG 3.51Å; T122-Q124 PolarHBondContact O-N 3.28Å | ||
| 125 | N | 28.8 | Very low | 37.6 | Very low | 143 Ų | 143 | 120.7 Ų | 120.7 | 77% | 0.765 | 62% | 0.621 | S | S | * | * | trans | 54.3 | 139.4 | 130.6 | -67.7 | -51.1 | 0 | 0 | 0 | 119.4 | T123 | T123-N125 PolarHBondContact O-N 2.92Š| ||
| 126 | L | 26 | Very low | 36.5 | Very low | 140 Ų | 140 | 123 Ų | 123 | 73% | 0.733 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -45 | 149.7 | -179.2 | -76.2 | 65.5 | 0 | 0 | 0 | 113.3 | Q128 | L126-Q128 PolarHBondContact O-N 3.13Š|
| 127 | P | 26.1 | Very low | 35.3 | Very low | 127 Ų | 127 | 127.1 Ų | 127.1 | 83% | 0.825 | 64% | 0.644 | S | S | * | * | trans | -68.2 | 69.1 | -172.5 | 28.9 | -37.3 | 0 | 0 | 0 | 114.7 | ||||
| 128 | Q | 30.5 | Very low | 34.2 | Very low | 138 Ų | 138 | 130.8 Ų | 130.8 | 65% | 0.645 | 66% | 0.662 | S | S | * | * | trans | -101.3 | 115.4 | 171.6 | -74.5 | -154.8 | 64.4 | 0 | 0 | 109.6 | L126 | L126-Q128 PolarHBondContact O-N 3.13Š| ||
| 129 | R | 34.8 | Very low | 33.7 | Very low | 130 Ų | 130 | 128.5 Ų | 128.5 | 49% | 0.491 | 65% | 0.653 | S | S | . | * | cis | -151.6 | 127.9 | -7 | -44.4 | 166.3 | -179.6 | 155.8 | -4 | 108.2 | F131 M132 | R129-F131 HydrophobicContact CB-CB 4.12Å; R129-F131 PolarHBondContact O-N 2.86Å; R129-M132 HydrophobicContact CB-CB 4.13Å; R129-M132 PolarHBondContact NH1-SD 2.91Å; R129-M132 PolarHBondContact O-N 3.12Å; R129-M132 VanDerWaalsContact O-N 3.12Å | ||
| 130 | P | 37.5 | Very low | 33.7 | Very low | 105 Ų | 105 | 129.1 Ų | 129.1 | 68% | 0.682 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -55.5 | -32.5 | 161.7 | -23.3 | 33.9 | 0 | 0 | 0 | 111.2 | M132 K133 L134 | P130-M132 PolarHBondContact O-N 3.3Å; P130-K133 PolarHBondContact O-N 2.92Å; P130-L134 PolarHBondContact O-N 2.82Å; P130-L134 VanDerWaalsContact O-N 3.14Å |
| 131 | F | 33.1 | Very low | 34.5 | Very low | 134 Ų | 134 | 123.4 Ų | 123.4 | 59% | 0.588 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62.4 | -33.1 | 177 | -161 | -103.1 | 0 | 0 | 0 | 113.9 | R129 L134 M135 | R129-F131 HydrophobicContact CB-CB 4.12Å; R129-F131 PolarHBondContact O-N 2.86Å; F131-L134 WeakPolarHBondContact O-CB 3.28Å; F131-L134 PolarHBondContact O-N 2.88Å; F131-M135 HydrophobicContact CD1-CG 3.86Å; F131-M135 HydrophobicContact CE1-CE 4.5Å; F131-M135 HydrophobicContact CE1-CG 3.74Å; F131-M135 HydrophobicContact CE1-SD 3.97Å; F131-M135 HydrophobicContact CZ-CG 4.31Å; F131-M135 HydrophobicContact CZ-SD 4.14Å; F131-M135 WeakPolarHBondContact O-CB 3.47Å; F131-M135 WeakPolarHBondContact O-CG 3.45Å; F131-M135 PolarHBondContact O-N 2.97Å |
| 132 | M | 34 | Very low | 35.4 | Very low | 83 Ų | 83 | 123.3 Ų | 123.3 | 41% | 0.409 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -73.1 | -43 | 178.4 | -108.9 | 175 | 72.9 | 0 | 0 | 112 | R129 P130 L134 M135 Q136 | R129-M132 HydrophobicContact CB-CB 4.13Å; R129-M132 PolarHBondContact NH1-SD 2.91Å; R129-M132 PolarHBondContact O-N 3.12Å; R129-M132 VanDerWaalsContact O-N 3.12Å; P130-M132 PolarHBondContact O-N 3.3Å; M132-L134 PolarHBondContact O-N 3.26Å; M132-M135 PolarHBondContact O-N 2.91Å; M132-M135 VanDerWaalsContact O-N 3.17Å; M132-Q136 WeakPolarHBondContact O-CB 3.42Å; M132-Q136 WeakPolarHBondContact O-CG 3.36Å; M132-Q136 PolarHBondContact O-N 3.01Å |
| 133 | K | 37.9 | Very low | 36.5 | Very low | 164 Ų | 164 | 123.3 Ų | 123.3 | 71% | 0.713 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.1 | -22.9 | 172.3 | -73.2 | -171.6 | 175.2 | -177.2 | 0 | 112.2 | P130 K137 | P130-K133 PolarHBondContact O-N 2.92Å; K133-K137 WeakPolarHBondContact O-CG 3.29Å; K133-K137 PolarHBondContact O-N 3.24Å |
| 134 | L | 38.1 | Very low | 37.5 | Very low | 102 Ų | 102 | 117.9 Ų | 117.9 | 53% | 0.534 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -78.4 | -39.6 | 171.9 | -150.9 | 76.8 | 0 | 0 | 0 | 113 | P130 F131 M132 K137 H138 | P130-L134 PolarHBondContact O-N 2.82Å; P130-L134 VanDerWaalsContact O-N 3.14Å; F131-L134 WeakPolarHBondContact O-CB 3.28Å; F131-L134 PolarHBondContact O-N 2.88Å; M132-L134 PolarHBondContact O-N 3.26Å; L134-K137 WeakPolarHBondContact O-CB 3.32Å; L134-K137 PolarHBondContact O-N 2.63Å; L134-H138 PolarHBondContact O-ND1 2.81Å |
| 135 | M | 33.7 | Very low | 38.2 | Very low | 111 Ų | 111 | 118.8 Ų | 118.8 | 55% | 0.547 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -71.3 | -43.5 | 176.6 | -69.6 | -76 | -77.5 | 0 | 0 | 111.7 | F131 M132 K137 H138 V139 | F131-M135 HydrophobicContact CD1-CG 3.86Å; F131-M135 HydrophobicContact CE1-CE 4.5Å; F131-M135 HydrophobicContact CE1-CG 3.74Å; F131-M135 HydrophobicContact CE1-SD 3.97Å; F131-M135 HydrophobicContact CZ-CG 4.31Å; F131-M135 HydrophobicContact CZ-SD 4.14Å; F131-M135 WeakPolarHBondContact O-CB 3.47Å; F131-M135 WeakPolarHBondContact O-CG 3.45Å; F131-M135 PolarHBondContact O-N 2.97Å; M132-M135 PolarHBondContact O-N 2.91Å; M132-M135 VanDerWaalsContact O-N 3.17Å; M135-K137 PolarHBondContact O-N 2.89Å; M135-H138 PolarHBondContact O-N 2.9Å; M135-V139 PolarHBondContact O-N 2.88Å |
| 136 | Q | 45.8 | Very low | 39.4 | Very low | 120 Ų | 120 | 115.6 Ų | 115.6 | 56% | 0.561 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -60.5 | -29.1 | 173 | -74.5 | 173.7 | -44.4 | 0 | 0 | 112.3 | M132 H138 V139 | M132-Q136 WeakPolarHBondContact O-CB 3.42Å; M132-Q136 WeakPolarHBondContact O-CG 3.36Å; M132-Q136 PolarHBondContact O-N 3.01Å; Q136-H138 PolarHBondContact O-N 3.22Å; Q136-V139 PolarHBondContact O-N 3.5Å |
| 137 | K | 38.8 | Very low | 40.6 | Very low | 176 Ų | 176 | 110.6 Ų | 110.6 | 77% | 0.765 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -12.2 | 171.8 | -92.3 | -173.5 | 178.1 | -174.5 | 0 | 114.8 | K133 L134 M135 | K133-K137 WeakPolarHBondContact O-CG 3.29Å; K133-K137 PolarHBondContact O-N 3.24Å; L134-K137 WeakPolarHBondContact O-CB 3.32Å; L134-K137 PolarHBondContact O-N 2.63Å; M135-K137 PolarHBondContact O-N 2.89Å |
| 138 | H | 39.9 | Very low | 42.2 | Very low | 153 Ų | 153 | 113.2 Ų | 113.2 | 71% | 0.708 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | -7.1 | 178.4 | -68.1 | 83.5 | 0 | 0 | 0 | 113.4 | L134 M135 Q136 | L134-H138 PolarHBondContact O-ND1 2.81Å; M135-H138 PolarHBondContact O-N 2.9Å; Q136-H138 PolarHBondContact O-N 3.22Å |
| 139 | V | 39 | Very low | 43.5 | Very low | 102 Ų | 102 | 110.2 Ų | 110.2 | 62% | 0.618 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -89.7 | 108.4 | 165.8 | -179.5 | 0 | 0 | 0 | 0 | 107.4 | M135 Q136 P141 | M135-V139 PolarHBondContact O-N 2.88Å; Q136-V139 PolarHBondContact O-N 3.5Å; V139-P141 WeakPolarHBondContact O-CD 3.34Å |
| 140 | I | 44.8 | Very low | 44.6 | Very low | 122 Ų | 122 | 110.7 Ų | 110.7 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | trans | -65.2 | 116.2 | 165.6 | -59.8 | 175.8 | 0 | 0 | 0 | 106 | A144 | I140-A144 HydrophobicContact CG2-CB 3.61Š| ||
| 141 | P | 44.3 | Very low | 45.8 | Very low | 47 Ų | 47 | 109.2 Ų | 109.2 | 31% | 0.305 | 52% | 0.52 | S | S | . | . | trans | -64.1 | 145.6 | 175.2 | 27.6 | -32.1 | 0 | 0 | 0 | 108.6 | V139 D143 A144 W149 | V139-P141 WeakPolarHBondContact O-CD 3.34Å; P141-D143 PolarHBondContact O-N 3.35Å; P141-D143 VanDerWaalsContact O-N 3.08Å; P141-A144 HydrophobicContact CG-CB 4.15Å; P141-A144 WeakPolarHBondContact O-CB 3.39Å; P141-A144 PolarHBondContact O-N 2.82Å; P141-W149 HydrophobicContact CG-CH2 4.15Å; P141-W149 HydrophobicContact CG-CZ2 3.59Å | ||
| 142 | P | 44.8 | Very low | 47.4 | Very low | 115 Ų | 115 | 107.8 Ų | 107.8 | 75% | 0.747 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -53.9 | -36 | -174.2 | 20.5 | -32 | 0 | 0 | 0 | 112.4 | A144 | P142-A144 VanDerWaalsContact C-N 3.26Å; P142-A144 PolarHBondContact O-N 3.29Å |
| 143 | D | 51.3 | Low | 49 | Very low | 89 Ų | 89 | 107.6 Ų | 107.6 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -68.6 | -11.5 | 179 | -51.4 | -67 | 0 | 0 | 0 | 115.3 | P141 R145 N146 W149 | P141-D143 PolarHBondContact O-N 3.35Å; P141-D143 VanDerWaalsContact O-N 3.08Å; D143-R145 PolarHBondContact O-N 3.25Å; D143-N146 VanDerWaalsContact O-CB 3.26Å; D143-N146 WeakPolarHBondContact O-CB 3.3Å; D143-N146 PolarHBondContact O-N 2.97Å; D143-W149 HydrophobicContact CB-CB 4.3Å; D143-W149 HydrophobicContact CB-CG 4.08Å; D143-W149 VanDerWaalsContact O-CB 3.3Å; D143-W149 WeakPolarHBondContact O-CB 3.31Å |
| 144 | A | 48.1 | Very low | 50.4 | Low | 18 Ų | 18 | 107.5 Ų | 107.5 | 15% | 0.149 | 51% | 0.51 | C | S | . | . | G | 310 helix | trans | -64.7 | -13.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I140 P141 P142 W149 R150 | I140-A144 HydrophobicContact CG2-CB 3.61Å; P141-A144 HydrophobicContact CG-CB 4.15Å; P141-A144 WeakPolarHBondContact O-CB 3.39Å; P141-A144 PolarHBondContact O-N 2.82Å; P142-A144 VanDerWaalsContact C-N 3.26Å; P142-A144 PolarHBondContact O-N 3.29Å; A144-W149 HydrophobicContact CB-CE3 4.06Å; A144-W149 HydrophobicContact CB-CH2 3.93Å; A144-W149 HydrophobicContact CB-CZ2 4.46Å; A144-W149 HydrophobicContact CB-CZ3 3.73Å; A144-R150 PolarHBondContact O-NE 2.96Å |
| 145 | R | 45.4 | Very low | 52 | Low | 176 Ų | 176 | 106 Ų | 106 | 66% | 0.664 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -76.2 | -35.3 | 169.3 | -67.4 | -176.6 | 178.5 | 170.8 | -1.1 | 112.4 | D143 R150 L1457 | D143-R145 PolarHBondContact O-N 3.25Å; R145-R150 PolarHBondContact O-NH2 2.95Å; R145-L1457 VanDerWaalsContact NH2-CD1 3.34Å |
| 146 | N | 53.1 | Low | 53.9 | Low | 76 Ų | 76 | 105.2 Ų | 105.2 | 41% | 0.406 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -65.4 | 125.5 | -177.8 | -174.8 | -30.9 | 0 | 0 | 0 | 110.6 | D143 R148 W149 | D143-N146 VanDerWaalsContact O-CB 3.26Å; D143-N146 WeakPolarHBondContact O-CB 3.3Å; D143-N146 PolarHBondContact O-N 2.97Å; N146-R148 VanDerWaalsContact C-N 3.28Å; N146-R148 PolarHBondContact O-N 3.16Å; N146-R148 WeakPolarHBondContact OD1-CB 3.41Å; N146-R148 PolarHBondContact OD1-N 3.4Å; N146-W149 HydrophobicContact CB-CB 4.44Å; N146-W149 WeakPolarHBondContact O-CB 3.36Å; N146-W149 PolarHBondContact O-N 3.46Å |
| 147 | P | 51.3 | Low | 55.3 | Low | 34 Ų | 34 | 104.6 Ų | 104.6 | 22% | 0.221 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -62.7 | -33.5 | -180 | 23.7 | -31.9 | 0 | 0 | 0 | 112.6 | W149 R150 I151 E1461 S1462 | P147-W149 VanDerWaalsContact C-N 3.28Å; P147-W149 PolarHBondContact O-N 2.97Å; P147-R150 WeakPolarHBondContact O-CA 3.14Å; P147-R150 WeakPolarHBondContact O-CB 3.45Å; P147-R150 PolarHBondContact O-N 2.84Å; P147-I151 PolarHBondContact O-N 2.97Å; P147-E1461 VanDerWaalsContact CG-O 3.3Å; P147-E1461 WeakPolarHBondContact CG-O 3.34Å; P147-S1462 WeakPolarHBondContact CB-OG 3.44Å |
| 148 | R | 59.4 | Low | 57.1 | Low | 182 Ų | 182 | 96.9 Ų | 96.9 | 69% | 0.687 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -58 | -37.7 | 175.5 | -167.1 | 175 | 179.6 | 165 | 0.7 | 112.2 | N146 R150 I151 L152 | N146-R148 VanDerWaalsContact C-N 3.28Å; N146-R148 PolarHBondContact O-N 3.16Å; N146-R148 WeakPolarHBondContact OD1-CB 3.41Å; N146-R148 PolarHBondContact OD1-N 3.4Å; R148-R150 VanDerWaalsContact C-N 3.34Å; R148-R150 PolarHBondContact O-N 3.47Å; R148-I151 PolarHBondContact O-N 3.46Å; R148-L152 HydrophobicContact CG-CD1 4.35Å; R148-L152 WeakPolarHBondContact O-CG 3.47Å; R148-L152 PolarHBondContact O-N 3.02Å |
| 149 | W | 58.2 | Low | 59.2 | Low | 76 Ų | 76 | 91.2 Ų | 91.2 | 29% | 0.288 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.7 | -36.5 | 175.1 | -175.9 | 92.7 | 0 | 0 | 0 | 112.2 | P141 D143 A144 N146 P147 K153 | P141-W149 HydrophobicContact CG-CH2 4.15Å; P141-W149 HydrophobicContact CG-CZ2 3.59Å; D143-W149 HydrophobicContact CB-CB 4.3Å; D143-W149 HydrophobicContact CB-CG 4.08Å; D143-W149 VanDerWaalsContact O-CB 3.3Å; D143-W149 WeakPolarHBondContact O-CB 3.31Å; A144-W149 HydrophobicContact CB-CE3 4.06Å; A144-W149 HydrophobicContact CB-CH2 3.93Å; A144-W149 HydrophobicContact CB-CZ2 4.46Å; A144-W149 HydrophobicContact CB-CZ3 3.73Å; N146-W149 HydrophobicContact CB-CB 4.44Å; N146-W149 WeakPolarHBondContact O-CB 3.36Å; N146-W149 PolarHBondContact O-N 3.46Å; P147-W149 VanDerWaalsContact C-N 3.28Å; P147-W149 PolarHBondContact O-N 2.97Å; W149-K153 HydrophobicContact CD2-CD 4.5Å; W149-K153 HydrophobicContact CE3-CD 4.25Å; W149-K153 HydrophobicContact CH2-CD 3.46Å; W149-K153 VanDerWaalsContact CH2-CD 3.46Å; W149-K153 HydrophobicContact CZ2-CD 3.68Å; W149-K153 HydrophobicContact CZ3-CD 3.75Å; W149-K153 WeakPolarHBondContact O-CB 3.36Å; W149-K153 PolarHBondContact O-N 3.3Å |
| 150 | R | 57.9 | Low | 61.2 | Low | 139 Ų | 139 | 90.9 Ų | 90.9 | 53% | 0.525 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.3 | -36.8 | 176.7 | -56.7 | -178.9 | -172.5 | 166.3 | 8.3 | 111.5 | A144 R145 P147 R148 R154 | A144-R150 PolarHBondContact O-NE 2.96Å; R145-R150 PolarHBondContact O-NH2 2.95Å; P147-R150 WeakPolarHBondContact O-CA 3.14Å; P147-R150 WeakPolarHBondContact O-CB 3.45Å; P147-R150 PolarHBondContact O-N 2.84Å; R148-R150 VanDerWaalsContact C-N 3.34Å; R148-R150 PolarHBondContact O-N 3.47Å; R150-R154 WeakPolarHBondContact O-CG 3.49Å; R150-R154 PolarHBondContact O-N 3.33Å; R150-R154 VanDerWaalsContact O-N 3.1Å |
| 151 | I | 63.4 | Low | 62.9 | Low | 75 Ų | 75 | 91.2 Ų | 91.2 | 39% | 0.385 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.7 | -51.4 | 175.5 | -63.9 | 166.5 | 0 | 0 | 0 | 110.5 | P147 R148 K153 R154 K155 | P147-I151 PolarHBondContact O-N 2.97Å; R148-I151 PolarHBondContact O-N 3.46Å; I151-K153 VanDerWaalsContact C-N 3.27Å; I151-K153 PolarHBondContact O-N 3.26Å; I151-R154 WeakPolarHBondContact O-CA 3.48Å; I151-R154 WeakPolarHBondContact O-CB 3.46Å; I151-R154 PolarHBondContact O-N 3.4Å; I151-K155 PolarHBondContact O-N 3.13Å |
| 152 | L | 66 | Low | 64.8 | Low | 103 Ų | 103 | 89 Ų | 89 | 54% | 0.539 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -55.4 | -43.5 | 176.2 | -71.5 | 168.5 | 0 | 0 | 0 | 111.5 | R148 R154 K155 E156 | R148-L152 HydrophobicContact CG-CD1 4.35Å; R148-L152 WeakPolarHBondContact O-CG 3.47Å; R148-L152 PolarHBondContact O-N 3.02Å; L152-R154 VanDerWaalsContact C-N 3.27Å; L152-R154 PolarHBondContact O-N 2.89Å; L152-K155 PolarHBondContact O-N 2.74Å; L152-E156 WeakPolarHBondContact O-CB 3.45Å; L152-E156 PolarHBondContact O-N 3.15Å |
| 153 | K | 69 | Low | 66.8 | Low | 80 Ų | 80 | 85.4 Ų | 85.4 | 35% | 0.348 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -74.2 | -10.2 | 177.7 | -164.9 | 161.4 | -165.1 | 149.3 | 0 | 114.9 | W149 I151 K157 | W149-K153 HydrophobicContact CD2-CD 4.5Å; W149-K153 HydrophobicContact CE3-CD 4.25Å; W149-K153 HydrophobicContact CH2-CD 3.46Å; W149-K153 VanDerWaalsContact CH2-CD 3.46Å; W149-K153 HydrophobicContact CZ2-CD 3.68Å; W149-K153 HydrophobicContact CZ3-CD 3.75Å; W149-K153 WeakPolarHBondContact O-CB 3.36Å; W149-K153 PolarHBondContact O-N 3.3Å; I151-K153 VanDerWaalsContact C-N 3.27Å; I151-K153 PolarHBondContact O-N 3.26Å; K153-K157 WeakPolarHBondContact O-CD 3.37Å; K153-K157 VanDerWaalsContact O-CG 3.29Å; K153-K157 WeakPolarHBondContact O-CG 3.48Å |
| 154 | R | 66.4 | Low | 68.4 | Low | 162 Ų | 162 | 86.4 Ų | 86.4 | 61% | 0.611 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -81.9 | -46.7 | 165.1 | -78.2 | 168.6 | 170 | 168 | -5.7 | 109.8 | R150 I151 L152 K157 Y158 | R150-R154 WeakPolarHBondContact O-CG 3.49Å; R150-R154 PolarHBondContact O-N 3.33Å; R150-R154 VanDerWaalsContact O-N 3.1Å; I151-R154 WeakPolarHBondContact O-CA 3.48Å; I151-R154 WeakPolarHBondContact O-CB 3.46Å; I151-R154 PolarHBondContact O-N 3.4Å; L152-R154 VanDerWaalsContact C-N 3.27Å; L152-R154 PolarHBondContact O-N 2.89Å; R154-K157 PolarHBondContact O-N 3.48Å; R154-Y158 PolarHBondContact O-N 3.14Å |
| 155 | K | 71.9 | Confident | 70.1 | Confident | 71 Ų | 71 | 86 Ų | 86 | 31% | 0.309 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.2 | -51.1 | 175.4 | -69.1 | -176 | 170.5 | -174.4 | 0 | 112 | D60 I151 L152 K157 Y158 E159 | D60-K155 IonicContact OD2-NZ 2.71Å; D60-K155 PolarHBondContact OD2-NZ 2.89Å; I151-K155 PolarHBondContact O-N 3.13Å; L152-K155 PolarHBondContact O-N 2.74Å; K155-K157 VanDerWaalsContact C-N 3.27Å; K155-K157 PolarHBondContact O-N 3.45Å; K155-Y158 WeakPolarHBondContact O-CA 3.29Å; K155-Y158 WeakPolarHBondContact O-CB 3.35Å; K155-Y158 PolarHBondContact O-N 3.42Å; K155-E159 PolarHBondContact O-N 3.09Å |
| 156 | E | 73.3 | Confident | 72.1 | Confident | 93 Ų | 93 | 77.6 Ų | 77.6 | 44% | 0.435 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -51.4 | -43.1 | 176 | -168.6 | -149.3 | 151.8 | 0 | 0 | 112.8 | L152 Q160 | L152-E156 WeakPolarHBondContact O-CB 3.45Å; L152-E156 PolarHBondContact O-N 3.15Å; E156-Q160 WeakPolarHBondContact O-CB 3.39Å; E156-Q160 WeakPolarHBondContact O-CG 3.49Å; E156-Q160 PolarHBondContact O-N 2.76Å; E156-Q160 PolarHBondContact OE1-NE2 3.05Å |
| 157 | K | 74.2 | Confident | 73.7 | Confident | 108 Ų | 108 | 76.4 Ų | 76.4 | 47% | 0.47 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -73.8 | -29.6 | 177.6 | -74.4 | 176.6 | -177.4 | 174.8 | 0 | 113.6 | K153 R154 K155 R161 | K153-K157 WeakPolarHBondContact O-CD 3.37Å; K153-K157 VanDerWaalsContact O-CG 3.29Å; K153-K157 WeakPolarHBondContact O-CG 3.48Å; R154-K157 PolarHBondContact O-N 3.48Å; K155-K157 VanDerWaalsContact C-N 3.27Å; K155-K157 PolarHBondContact O-N 3.45Å; K157-R161 WeakPolarHBondContact O-CB 3.46Å; K157-R161 VanDerWaalsContact O-CD 3.31Å; K157-R161 WeakPolarHBondContact O-CD 3.39Å; K157-R161 WeakPolarHBondContact O-CG 3.46Å; K157-R161 PolarHBondContact O-N 3.4Å |
| 158 | Y | 78 | Confident | 75.2 | Confident | 14 Ų | 14 | 78.1 Ų | 78.1 | 6% | 0.055 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -69.5 | -50.1 | 174.6 | 159.3 | -103.2 | 0 | 0 | 0 | 109.4 | Y57 R154 K155 Q160 R161 I162 L818 L821 | Y57-Y158 VanDerWaalsContact O-CE1 3.28Å; Y57-Y158 WeakPolarHBondContact O-CE1 3.38Å; Y57-Y158 PolarHBondContact O-OH 2.8Å; R154-Y158 PolarHBondContact O-N 3.14Å; K155-Y158 WeakPolarHBondContact O-CA 3.29Å; K155-Y158 WeakPolarHBondContact O-CB 3.35Å; K155-Y158 PolarHBondContact O-N 3.42Å; Y158-Q160 PolarHBondContact O-N 2.73Å; Y158-R161 PolarHBondContact O-N 3.49Å; Y158-R161 VanDerWaalsContact O-N 3.12Å; Y158-I162 HydrophobicContact CD2-CG1 3.9Å; Y158-I162 HydrophobicContact CE2-CD1 3.93Å; Y158-I162 HydrophobicContact CE2-CG1 3.47Å; Y158-I162 VanDerWaalsContact CE2-CG1 3.47Å; Y158-I162 WeakPolarHBondContact O-CG1 3.48Å; Y158-I162 PolarHBondContact O-N 2.99Å; Y158-L818 VanDerWaalsContact OH-CD2 3.31Å; Y158-L818 WeakPolarHBondContact OH-CD2 3.16Å; Y158-L821 HydrophobicContact CD2-CB 3.75Å; Y158-L821 HydrophobicContact CE2-CB 3.63Å; Y158-L821 HydrophobicContact CE2-CD1 4.49Å |
| 159 | E | 83 | Confident | 76.4 | Confident | 34 Ų | 34 | 70.4 Ų | 70.4 | 16% | 0.159 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -52.8 | -51.3 | 173.5 | -68 | -163 | -128.8 | 0 | 0 | 112 | Y57 H58 R64 K155 R161 I162 E163 | Y57-E159 HydrophobicContact CD2-CB 3.7Å; Y57-E159 HydrophobicContact CD2-CG 3.73Å; Y57-E159 HydrophobicContact CE2-CB 4.25Å; Y57-E159 HydrophobicContact CG-CG 4.46Å; H58-E159 IonicContact NE2-OE1 3.63Å; R64-E159 IonicContact CZ-OE2 2.78Å; R64-E159 IonicContact NE-OE2 3.63Å; R64-E159 IonicContact NH2-OE2 3.52Å; R64-E159 PolarHBondContact NH2-OE2 2.95Å; K155-E159 PolarHBondContact O-N 3.09Å; E159-R161 VanDerWaalsContact C-N 3.29Å; E159-R161 PolarHBondContact O-N 2.67Å; E159-I162 PolarHBondContact O-N 3.46Å; E159-E163 VanDerWaalsContact O-CB 3.26Å; E159-E163 WeakPolarHBondContact O-CB 3.47Å; E159-E163 PolarHBondContact O-N 3.22Å |
| 160 | Q | 82.3 | Confident | 77.7 | Confident | 95 Ų | 95 | 66.8 Ų | 66.8 | 44% | 0.444 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59 | -36.6 | 179.3 | -75.3 | 165.7 | 8.3 | 0 | 0 | 113 | E156 Y158 E164 | E156-Q160 WeakPolarHBondContact O-CB 3.39Å; E156-Q160 WeakPolarHBondContact O-CG 3.49Å; E156-Q160 PolarHBondContact O-N 2.76Å; E156-Q160 PolarHBondContact OE1-NE2 3.05Å; Y158-Q160 PolarHBondContact O-N 2.73Å; Q160-E164 VanDerWaalsContact O-CB 3.24Å; Q160-E164 WeakPolarHBondContact O-CB 3.31Å; Q160-E164 PolarHBondContact O-N 3.35Å |
| 161 | R | 80.1 | Confident | 78.7 | Confident | 128 Ų | 128 | 62.4 Ų | 62.4 | 48% | 0.483 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -74.8 | -39.9 | 179 | -76.6 | 168 | 174.4 | -173 | -3.7 | 112.9 | K157 Y158 E159 E165 T801 | K157-R161 WeakPolarHBondContact O-CB 3.46Å; K157-R161 VanDerWaalsContact O-CD 3.31Å; K157-R161 WeakPolarHBondContact O-CD 3.39Å; K157-R161 WeakPolarHBondContact O-CG 3.46Å; K157-R161 PolarHBondContact O-N 3.4Å; Y158-R161 PolarHBondContact O-N 3.49Å; Y158-R161 VanDerWaalsContact O-N 3.12Å; E159-R161 VanDerWaalsContact C-N 3.29Å; E159-R161 PolarHBondContact O-N 2.67Å; R161-E165 PolarHBondContact O-N 3.42Å; R161-E165 VanDerWaalsContact O-N 3.11Å; R161-T801 HydrophobicContact CB-CG2 4.36Å |
| 162 | I | 84.5 | Confident | 78.9 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.6 | -51.4 | 175.3 | -68 | -63 | 0 | 0 | 0 | 108.4 | Y57 Y158 E159 E164 E165 L166 T801 A804 L808 L821 | Y57-I162 HydrophobicContact CD1-CG2 3.87Å; Y57-I162 HydrophobicContact CE1-CG2 3.92Å; Y57-I162 HydrophobicContact CG-CG2 4.38Å; Y158-I162 HydrophobicContact CD2-CG1 3.9Å; Y158-I162 HydrophobicContact CE2-CD1 3.93Å; Y158-I162 HydrophobicContact CE2-CG1 3.47Å; Y158-I162 VanDerWaalsContact CE2-CG1 3.47Å; Y158-I162 WeakPolarHBondContact O-CG1 3.48Å; Y158-I162 PolarHBondContact O-N 2.99Å; E159-I162 PolarHBondContact O-N 3.46Å; I162-E164 PolarHBondContact O-N 2.9Å; I162-E165 PolarHBondContact O-N 2.95Å; I162-E165 VanDerWaalsContact O-N 3.13Å; I162-L166 HydrophobicContact CG2-CD1 3.57Å; I162-L166 HydrophobicContact CG2-CG 3.95Å; I162-L166 WeakPolarHBondContact O-CB 3.17Å; I162-L166 WeakPolarHBondContact O-CG 3.43Å; I162-L166 PolarHBondContact O-N 3.28Å; I162-T801 HydrophobicContact CD1-CG2 4.31Å; I162-A804 HydrophobicContact CD1-CB 4.19Å; I162-L808 HydrophobicContact CG2-CD2 4.08Å; I162-L821 HydrophobicContact CD1-CD1 4.3Å |
| 163 | E | 85.4 | Confident | 78.5 | Confident | 40 Ų | 40 | 65.4 Ų | 65.4 | 19% | 0.187 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -53.7 | -46.4 | 175.5 | -177.8 | 157.8 | -125.3 | 0 | 0 | 113.2 | Y57 R64 E159 L166 I167 | Y57-E163 HydrophobicContact CE2-CB 3.98Å; Y57-E163 WeakPolarHBondContact OH-CB 3.43Å; R64-E163 IonicContact CZ-OE1 3.97Å; R64-E163 IonicContact CZ-OE2 3.82Å; R64-E163 IonicContact NH1-OE1 2.76Å; R64-E163 PolarHBondContact NH1-OE1 3.1Å; R64-E163 IonicContact NH1-OE2 3.48Å; R64-E163 PolarHBondContact NH1-OE2 2.78Å; R64-E163 IonicContact NH2-OE2 3.33Å; E159-E163 VanDerWaalsContact O-CB 3.26Å; E159-E163 WeakPolarHBondContact O-CB 3.47Å; E159-E163 PolarHBondContact O-N 3.22Å; E163-L166 PolarHBondContact O-N 2.97Å; E163-I167 HydrophobicContact CG-CD1 3.73Å; E163-I167 HydrophobicContact CG-CG1 4.46Å; E163-I167 VanDerWaalsContact O-CB 3.3Å; E163-I167 WeakPolarHBondContact O-CB 3.24Å; E163-I167 VanDerWaalsContact O-CG1 3.27Å; E163-I167 WeakPolarHBondContact O-CG1 3.42Å; E163-I167 PolarHBondContact O-N 3.23Å |
| 164 | E | 84.8 | Confident | 78.1 | Confident | 111 Ų | 111 | 67.7 Ų | 67.7 | 52% | 0.519 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 176.5 | -173.2 | -174.9 | 157 | 0 | 0 | 111.8 | Q160 I162 N168 | Q160-E164 VanDerWaalsContact O-CB 3.24Å; Q160-E164 WeakPolarHBondContact O-CB 3.31Å; Q160-E164 PolarHBondContact O-N 3.35Å; I162-E164 PolarHBondContact O-N 2.9Å; E164-N168 VanDerWaalsContact O-CB 3.3Å; E164-N168 WeakPolarHBondContact O-CB 3.32Å; E164-N168 PolarHBondContact O-N 3.47Å; E164-N168 PolarHBondContact O-ND2 2.98Å |
| 165 | E | 84.3 | Confident | 78.2 | Confident | 9 Ų | 9 | 62.5 Ų | 62.5 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71.4 | -39.8 | 179.2 | -170.7 | 76.8 | -149.7 | 0 | 0 | 112.2 | R161 I162 N168 M169 R798 T801 R802 A805 | R161-E165 PolarHBondContact O-N 3.42Å; R161-E165 VanDerWaalsContact O-N 3.11Å; I162-E165 PolarHBondContact O-N 2.95Å; I162-E165 VanDerWaalsContact O-N 3.13Å; E165-N168 PolarHBondContact O-N 3.41Å; E165-M169 HydrophobicContact CG-CE 3.96Å; E165-M169 WeakPolarHBondContact O-CG 3.41Å; E165-M169 PolarHBondContact O-N 2.99Å; E165-R798 IonicContact OE2-CZ 3.78Å; E165-R798 IonicContact OE2-NE 2.74Å; E165-R798 IonicContact OE2-NH2 3.94Å; E165-R798 PolarHBondContact OE2-NH2 2.94Å; E165-T801 HydrophobicContact CB-CG2 4.34Å; E165-R802 HydrophobicContact CG-CB 4.4Å; E165-R802 WeakPolarHBondContact OE1-CG 3.2Å; E165-R802 IonicContact OE1-NH1 3.61Å; E165-R802 PolarHBondContact OE1-NH1 3.06Å; E165-A805 HydrophobicContact CB-CB 4.34Å; E165-A805 HydrophobicContact CG-CB 4.07Å |
| 166 | L | 87.5 | Confident | 78.7 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 174.3 | -66.4 | 172.8 | 0 | 0 | 0 | 111.3 | I55 Y57 F66 I162 E163 M169 L170 A805 F809 | I55-L166 HydrophobicContact CD1-CD1 4.2Å; Y57-L166 HydrophobicContact CD1-CD1 4.44Å; Y57-L166 HydrophobicContact CE1-CD1 3.5Å; F66-L166 HydrophobicContact CE1-CB 4.35Å; F66-L166 HydrophobicContact CZ-CB 4.5Å; F66-L166 HydrophobicContact CZ-CD1 4.14Å; I162-L166 HydrophobicContact CG2-CD1 3.57Å; I162-L166 HydrophobicContact CG2-CG 3.95Å; I162-L166 WeakPolarHBondContact O-CB 3.17Å; I162-L166 WeakPolarHBondContact O-CG 3.43Å; I162-L166 PolarHBondContact O-N 3.28Å; E163-L166 PolarHBondContact O-N 2.97Å; L166-M169 PolarHBondContact O-N 3.07Å; L166-L170 PolarHBondContact O-N 3.29Å; L166-A805 HydrophobicContact CD2-CB 3.75Å; L166-A805 WeakPolarHBondContact CD2-O 3.5Å; L166-A805 HydrophobicContact CG-CB 4.24Å; L166-F809 HydrophobicContact CB-CE2 3.97Å; L166-F809 HydrophobicContact CB-CZ 3.73Å; L166-F809 HydrophobicContact CD2-CD1 3.99Å; L166-F809 HydrophobicContact CD2-CD2 3.33Å; L166-F809 HydrophobicContact CD2-CE1 3.84Å; L166-F809 HydrophobicContact CD2-CE2 3.2Å; L166-F809 HydrophobicContact CD2-CG 3.75Å; L166-F809 HydrophobicContact CD2-CZ 3.46Å; L166-F809 VanDerWaalsContact CD2-CZ 3.46Å; L166-F809 HydrophobicContact CG-CE2 4.14Å; L166-F809 HydrophobicContact CG-CZ 4.09Å |
| 167 | I | 86.6 | Confident | 79.6 | Confident | 51 Ų | 51 | 55.7 Ų | 55.7 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.8 | -45 | 176 | -72.8 | 172.3 | 0 | 0 | 0 | 110.5 | V91 E163 M169 L170 Q171 | V91-I167 HydrophobicContact CG2-CD1 4.18Å; V91-I167 HydrophobicContact CG2-CG1 4.31Å; E163-I167 HydrophobicContact CG-CD1 3.73Å; E163-I167 HydrophobicContact CG-CG1 4.46Å; E163-I167 VanDerWaalsContact O-CB 3.3Å; E163-I167 WeakPolarHBondContact O-CB 3.24Å; E163-I167 VanDerWaalsContact O-CG1 3.27Å; E163-I167 WeakPolarHBondContact O-CG1 3.42Å; E163-I167 PolarHBondContact O-N 3.23Å; I167-M169 PolarHBondContact O-N 3.14Å; I167-L170 PolarHBondContact O-N 2.73Å; I167-Q171 WeakPolarHBondContact O-CA 3.27Å; I167-Q171 WeakPolarHBondContact O-CB 3.33Å; I167-Q171 PolarHBondContact O-N 3.36Å |
| 168 | N | 83.4 | Confident | 80.6 | Confident | 70 Ų | 70 | 50.7 Ų | 50.7 | 37% | 0.374 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.5 | -26 | 178.1 | -74.9 | -38.1 | 0 | 0 | 0 | 113.6 | E164 E165 | E164-N168 VanDerWaalsContact O-CB 3.3Å; E164-N168 WeakPolarHBondContact O-CB 3.32Å; E164-N168 PolarHBondContact O-N 3.47Å; E164-N168 PolarHBondContact O-ND2 2.98Å; E165-N168 PolarHBondContact O-N 3.41Å |
| 169 | M | 84.1 | Confident | 81.4 | Confident | 19 Ų | 19 | 50.1 Ų | 50.1 | 9% | 0.094 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.8 | -48.4 | 171.6 | -72.8 | 174.1 | -176.5 | 0 | 0 | 111.7 | E165 L166 I167 F178 R802 A805 I806 F809 | E165-M169 HydrophobicContact CG-CE 3.96Å; E165-M169 WeakPolarHBondContact O-CG 3.41Å; E165-M169 PolarHBondContact O-N 2.99Å; L166-M169 PolarHBondContact O-N 3.07Å; I167-M169 PolarHBondContact O-N 3.14Å; M169-F178 HydrophobicContact CB-CE2 4.38Å; M169-F178 WeakPolarHBondContact O-CE2 3.27Å; M169-R802 HydrophobicContact CE-CB 4.46Å; M169-R802 HydrophobicContact CE-CG 3.53Å; M169-R802 WeakPolarHBondContact CE-O 3.24Å; M169-A805 HydrophobicContact CE-CB 3.98Å; M169-A805 HydrophobicContact SD-CB 4.47Å; M169-I806 HydrophobicContact CE-CD1 4.16Å; M169-I806 HydrophobicContact CE-CG1 3.68Å; M169-I806 HydrophobicContact SD-CG1 4.2Å; M169-F809 HydrophobicContact SD-CD2 4.31Å; M169-F809 HydrophobicContact SD-CE2 4.16Å |
| 170 | L | 86.6 | Confident | 82.1 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -74.1 | -29.5 | -178.3 | -67.7 | 170.5 | 0 | 0 | 0 | 113 | I52 F66 V89 L166 I167 S176 F178 W246 F809 | I52-L170 HydrophobicContact CD1-CD1 3.87Å; I52-L170 HydrophobicContact CD1-CD2 4.12Å; F66-L170 HydrophobicContact CD1-CD1 3.78Å; F66-L170 HydrophobicContact CE1-CD1 4.18Å; V89-L170 HydrophobicContact CG1-CD1 4.18Å; V89-L170 HydrophobicContact CG2-CB 3.99Å; V89-L170 HydrophobicContact CG2-CD1 4.27Å; L166-L170 PolarHBondContact O-N 3.29Å; I167-L170 PolarHBondContact O-N 2.73Å; L170-S176 WeakPolarHBondContact O-CB 3.48Å; L170-F178 HydrophobicContact CD2-CD1 4.49Å; L170-F178 HydrophobicContact CD2-CD2 3.8Å; L170-F178 HydrophobicContact CD2-CE1 4.48Å; L170-F178 HydrophobicContact CD2-CE2 3.78Å; L170-F178 HydrophobicContact CD2-CG 4.13Å; L170-F178 HydrophobicContact CD2-CZ 4.1Å; L170-F178 HydrophobicContact CG-CE2 4.45Å; L170-W246 HydrophobicContact CD2-CH2 4Å; L170-W246 HydrophobicContact CD2-CZ3 4.23Å; L170-F809 HydrophobicContact CD1-CE1 4.31Å; L170-F809 HydrophobicContact CD1-CZ 3.68Å; L170-F809 HydrophobicContact CG-CZ 4.03Å |
| 171 | Q | 78.4 | Confident | 82.7 | Confident | 48 Ų | 48 | 44.2 Ų | 44.2 | 22% | 0.224 | 21% | 0.214 | C | C | . | . | trans | -130.4 | 78.5 | -177.1 | -65 | 176.9 | 86.8 | 0 | 0 | 109.8 | V89 I167 | V89-Q171 HydrophobicContact CB-CG 4.38Å; V89-Q171 HydrophobicContact CG2-CG 4.37Å; V89-Q171 PolarHBondContact O-NE2 3.13Å; I167-Q171 WeakPolarHBondContact O-CA 3.27Å; I167-Q171 WeakPolarHBondContact O-CB 3.33Å; I167-Q171 PolarHBondContact O-N 3.36Å | ||
| 172 | S | 67.2 | Low | 83.1 | Confident | 40 Ų | 40 | 40.5 Ų | 40.5 | 28% | 0.28 | 21% | 0.206 | S | C | . | . | trans | -79 | 139.6 | 165.9 | 131.9 | 0 | 0 | 0 | 0 | 109.7 | D174 E175 | S172-D174 PolarHBondContact O-N 3.25Å; S172-E175 WeakPolarHBondContact CB-O 3.29Å; S172-E175 PolarHBondContact OG-N 3.04Å; S172-E175 PolarHBondContact OG-O 3.39Å | ||
| 173 | E | 58.5 | Low | 83.1 | Confident | 200 Ų | 200 | 42.3 Ų | 42.3 | 94% | 0.935 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -59.9 | -31.4 | -172.4 | -65.1 | -171.2 | 139.9 | 0 | 0 | 113.4 | ||
| 174 | D | 58.7 | Low | 83 | Confident | 128 Ų | 128 | 40.4 Ų | 40.4 | 68% | 0.684 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -89.2 | -62.2 | 177.2 | -65.3 | -43 | 0 | 0 | 0 | 110.8 | S172 R759 | S172-D174 PolarHBondContact O-N 3.25Å; D174-R759 IonicContact OD2-NH1 3.17Å |
| 175 | E | 68.7 | Low | 83.3 | Confident | 54 Ų | 54 | 35.8 Ų | 35.8 | 25% | 0.252 | 20% | 0.198 | S | C | . | . | trans | -150.2 | 136.4 | -176.4 | -54.2 | -159.4 | 105.2 | 0 | 0 | 112.2 | R85 S172 Y177 | R85-E175 IonicContact CZ-OE1 3.54Å; R85-E175 IonicContact NH1-OE1 3.21Å; R85-E175 PolarHBondContact NH1-OE1 3.07Å; R85-E175 IonicContact NH2-OE1 2.63Å; R85-E175 PolarHBondContact NH2-OE1 3.18Å; R85-E175 VanDerWaalsContact NH2-OE1 3.13Å; S172-E175 WeakPolarHBondContact CB-O 3.29Å; S172-E175 PolarHBondContact OG-N 3.04Å; S172-E175 PolarHBondContact OG-O 3.39Å; E175-Y177 HydrophobicContact CB-CE1 4.49Å | ||
| 176 | S | 83.1 | Confident | 83.8 | Confident | 6 Ų | 6 | 35.5 Ų | 35.5 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | trans | -85 | 164.1 | 167.9 | 72.8 | 0 | 0 | 0 | 0 | 111.2 | R85 I86 L170 | R85-S176 WeakPolarHBondContact CD-O 3.42Å; R85-S176 WeakPolarHBondContact CG-OG 3.28Å; I86-S176 WeakPolarHBondContact O-CB 3.26Å; I86-S176 PolarHBondContact O-OG 2.73Å; L170-S176 WeakPolarHBondContact O-CB 3.48Å | ||
| 177 | Y | 91.9 | Very high | 84.1 | Confident | 14 Ų | 14 | 35.6 Ų | 35.6 | 6% | 0.055 | 20% | 0.197 | C | C | . | . | trans | -119.4 | 29.6 | -177.3 | -58.1 | -58.5 | 0 | 0 | 0 | 112.5 | E175 Q299 G300 A756 R759 I760 | E175-Y177 HydrophobicContact CB-CE1 4.49Å; Y177-Q299 CarbonylContact O-C 3.47Å; Y177-Q299 VanDerWaalsContact O-CA 3.32Å; Y177-Q299 WeakPolarHBondContact O-CA 3.45Å; Y177-G300 WeakPolarHBondContact CB-O 3.3Å; Y177-G300 PolarHBondContact O-N 3.18Å; Y177-A756 HydrophobicContact CD1-CB 3.82Å; Y177-A756 HydrophobicContact CE1-CB 3.51Å; Y177-R759 HydrophobicContact CE2-CB 3.71Å; Y177-R759 WeakPolarHBondContact OH-CD 3.15Å; Y177-R759 VanDerWaalsContact OH-CZ 3.23Å; Y177-R759 PolarHBondContact OH-NE 3.12Å; Y177-R759 VanDerWaalsContact OH-NE 3.08Å; Y177-I760 HydrophobicContact CD2-CG1 3.71Å; Y177-I760 HydrophobicContact CG-CD1 4Å; Y177-I760 HydrophobicContact CG-CG1 3.71Å | ||
| 178 | F | 94.9 | Very high | 84.6 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 1% | 0.013 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 126.2 | -176 | -67.8 | -80.6 | 0 | 0 | 0 | 111.1 | I86 M169 L170 W246 I297 V298 Q299 | I86-F178 HydrophobicContact CB-CB 4.37Å; I86-F178 HydrophobicContact CD1-CB 3.82Å; I86-F178 HydrophobicContact CG1-CB 4.19Å; I86-F178 PolarHBondContact N-O 3.11Å; M169-F178 HydrophobicContact CB-CE2 4.38Å; M169-F178 WeakPolarHBondContact O-CE2 3.27Å; L170-F178 HydrophobicContact CD2-CD1 4.49Å; L170-F178 HydrophobicContact CD2-CD2 3.8Å; L170-F178 HydrophobicContact CD2-CE1 4.48Å; L170-F178 HydrophobicContact CD2-CE2 3.78Å; L170-F178 HydrophobicContact CD2-CG 4.13Å; L170-F178 HydrophobicContact CD2-CZ 4.1Å; L170-F178 HydrophobicContact CG-CE2 4.45Å; F178-W246 HydrophobicContact CD1-CD2 4.18Å; F178-W246 HydrophobicContact CD1-CE3 4.07Å; F178-W246 HydrophobicContact CD1-CZ3 4.32Å; F178-W246 AromaticContact CE1-CD2 3.54Å; F178-W246 HydrophobicContact CE1-CD2 3.54Å; F178-W246 AromaticContact CE1-CE2 3.48Å; F178-W246 VanDerWaalsContact CE1-CE2 3.48Å; F178-W246 AromaticContact CE1-CE3 3.77Å; F178-W246 HydrophobicContact CE1-CE3 3.77Å; F178-W246 HydrophobicContact CE1-CG 4.13Å; F178-W246 AromaticContact CE1-CH2 3.91Å; F178-W246 HydrophobicContact CE1-CH2 3.91Å; F178-W246 AromaticContact CE1-CZ2 3.66Å; F178-W246 HydrophobicContact CE1-CZ2 3.66Å; F178-W246 AromaticContact CE1-CZ3 3.95Å; F178-W246 HydrophobicContact CE1-CZ3 3.95Å; F178-W246 AromaticContact CE1-NE1 4Å; F178-W246 HydrophobicContact CZ-CD2 4.48Å; F178-W246 HydrophobicContact CZ-CH2 4.12Å; F178-W246 AromaticContact CZ-CZ2 3.8Å; F178-W246 HydrophobicContact CZ-CZ2 3.8Å; F178-I297 HydrophobicContact CB-CG2 4.17Å; F178-I297 HydrophobicContact CD1-CG2 4.03Å; F178-V298 WeakPolarHBondContact CA-O 3.49Å; F178-Q299 HydrophobicContact CD1-CB 4.08Å; F178-Q299 HydrophobicContact CE1-CB 3.87Å; F178-Q299 HydrophobicContact CE1-CG 4.13Å; F178-Q299 VanDerWaalsContact CE1-NE2 3.27Å |
| 179 | Y | 96.2 | Very high | 85.1 | Confident | 3 Ų | 3 | 30.3 Ų | 30.3 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 146.3 | -171.1 | -59.8 | -99.6 | 0 | 0 | 0 | 110.6 | V74 V83 R84 R85 I297 V298 V302 | V74-Y179 HydrophobicContact CG1-CE1 4.36Å; V74-Y179 HydrophobicContact CG2-CD1 4.15Å; V74-Y179 HydrophobicContact CG2-CE1 3.99Å; V83-Y179 HydrophobicContact CG1-CD1 3.79Å; V83-Y179 HydrophobicContact CG1-CG 4.45Å; R84-Y179 CarbonylContact O-C 3.56Å; R84-Y179 VanDerWaalsContact O-CA 3.27Å; R84-Y179 WeakPolarHBondContact O-CA 3.46Å; R85-Y179 HydrophobicContact CB-CD1 4.07Å; R85-Y179 HydrophobicContact CB-CE1 4.04Å; R85-Y179 HydrophobicContact CG-CD1 4.42Å; R85-Y179 HydrophobicContact CG-CE1 4.15Å; Y179-I297 WeakPolarHBondContact O-CA 3.3Å; Y179-V298 PolarHBondContact N-O 3.35Å; Y179-V298 PolarHBondContact O-N 3.23Å; Y179-V302 HydrophobicContact CD1-CB 3.98Å; Y179-V302 HydrophobicContact CD1-CG2 3.73Å; Y179-V302 HydrophobicContact CD2-CG2 4.08Å; Y179-V302 HydrophobicContact CE1-CB 3.67Å; Y179-V302 HydrophobicContact CE1-CG2 3.83Å; Y179-V302 HydrophobicContact CE2-CG2 4.22Å; Y179-V302 HydrophobicContact CG-CG2 3.83Å; Y179-V302 VanDerWaalsContact CZ-N 3.27Å; Y179-V302 PolarHBondContact OH-N 3.41Å; Y179-V302 PolarHBondContact OH-O 3.03Å |
| 180 | F | 96.2 | Very high | 85.6 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 161.1 | 178.5 | 69.7 | -79.7 | 0 | 0 | 0 | 110.1 | D49 I68 R84 I86 L187 M295 I297 | D49-F180 HydrophobicContact CB-CZ 4.23Å; I68-F180 HydrophobicContact CD1-CD1 3.95Å; I68-F180 HydrophobicContact CD1-CE1 3.82Å; I68-F180 HydrophobicContact CD1-CE2 4.45Å; I68-F180 HydrophobicContact CD1-CG 4.33Å; I68-F180 HydrophobicContact CD1-CZ 4.08Å; I68-F180 HydrophobicContact CG2-CE1 4.21Å; I68-F180 HydrophobicContact CG2-CZ 4.3Å; R84-F180 HydrophobicContact CB-CD1 4.34Å; R84-F180 HydrophobicContact CB-CE1 3.93Å; R84-F180 HydrophobicContact CB-CE2 4.32Å; R84-F180 HydrophobicContact CB-CZ 3.92Å; R84-F180 PolarHBondContact N-O 3.33Å; R84-F180 WeakPolarHBondContact O-CD1 3.35Å; R84-F180 PolarHBondContact O-N 3.31Å; I86-F180 HydrophobicContact CG1-CD1 3.96Å; I86-F180 HydrophobicContact CG1-CE1 4.01Å; F180-L187 VanDerWaalsContact C-CD1 3.42Å; F180-M295 HydrophobicContact CB-SD 4.25Å; F180-M295 HydrophobicContact CD2-CE 4.11Å; F180-M295 HydrophobicContact CD2-SD 3.37Å; F180-M295 WeakPolarHBondContact CD2-SD 3.39Å; F180-M295 HydrophobicContact CE2-CE 4.26Å; F180-M295 HydrophobicContact CE2-SD 3.89Å; F180-M295 HydrophobicContact CG-SD 3.96Å; F180-I297 HydrophobicContact CB-CG1 4.27Å |
| 181 | S | 95 | Very high | 85.9 | Confident | 4 Ų | 4 | 30.7 Ų | 30.7 | 3% | 0.028 | 17% | 0.172 | C | C | . | . | trans | -98 | 131.5 | 167.9 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | E82 G184 G185 | E82-S181 WeakPolarHBondContact O-CA 3.47Å; E82-S181 PolarHBondContact O-OG 3.05Å; S181-G184 PolarHBondContact O-N 3.14Å; S181-G185 WeakPolarHBondContact CB-O 3.39Å | ||
| 182 | P | 89.8 | Confident | 86.5 | Confident | 50 Ų | 50 | 29.5 Ų | 29.5 | 33% | 0.325 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -62.2 | 147.5 | 168.2 | 33.2 | -35.6 | 0 | 0 | 0 | 108.7 | E82 R84 G184 | E82-P182 HydrophobicContact CB-CG 4.11Å; E82-P182 WeakPolarHBondContact O-CD 3.31Å; E82-P182 WeakPolarHBondContact OE2-CG 3.33Å; R84-P182 HydrophobicContact CG-CG 4.38Å; P182-G184 PolarHBondContact O-N 2.8Å |
| 183 | G | 84 | Confident | 87.6 | Confident | 37 Ų | 37 | 30 Ų | 30 | 38% | 0.381 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | 73.6 | -5.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | E291 G292 | G183-E291 CarbonylContact O-C 3.59Å; G183-E291 WeakPolarHBondContact O-CB 3.39Å; G183-G292 PolarHBondContact O-N 2.99Å |
| 184 | G | 84.3 | Confident | 89.1 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | 94.6 | 14.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 117 | S181 P182 E291 | S181-G184 PolarHBondContact O-N 3.14Å; P182-G184 PolarHBondContact O-N 2.8Å; G184-E291 VanDerWaalsContact CA-O 3.3Å; G184-E291 WeakPolarHBondContact CA-O 3.38Å |
| 185 | G | 90 | Very high | 90.4 | Very high | 14 Ų | 14 | 17.8 Ų | 17.8 | 14% | 0.144 | 11% | 0.105 | C | C | . | . | trans | -57 | 147.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S181 L187 | S181-G185 WeakPolarHBondContact CB-O 3.39Å; G185-L187 PolarHBondContact O-N 3.34Å | ||
| 186 | D | 93.9 | Very high | 91 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.016 | 11% | 0.109 | C | C | . | . | trans | -75.3 | 118.3 | -174.5 | -172.3 | 15.9 | 0 | 0 | 0 | 113.1 | L81 T188 N189 K194 Y199 V236 | L81-D186 VanDerWaalsContact CD1-O 3.29Å; L81-D186 WeakPolarHBondContact CD1-O 3.39Å; D186-T188 WeakPolarHBondContact OD1-CA 3.19Å; D186-T188 WeakPolarHBondContact OD1-CB 3.5Å; D186-T188 PolarHBondContact OD1-N 3.44Å; D186-T188 PolarHBondContact OD1-OG1 2.91Å; D186-N189 WeakPolarHBondContact OD2-CB 3.32Å; D186-N189 PolarHBondContact OD2-ND2 2.71Å; D186-K194 VanDerWaalsContact O-CE 3.23Å; D186-K194 WeakPolarHBondContact O-CE 3.47Å; D186-K194 PolarHBondContact O-NZ 3.27Å; D186-Y199 WeakPolarHBondContact CB-OH 3.15Å; D186-Y199 PolarHBondContact OD2-OH 3.04Å; D186-V236 HydrophobicContact CB-CG1 3.77Å; D186-V236 HydrophobicContact CB-CG2 4.1Å | ||
| 187 | L | 95.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | trans | -111.2 | 2 | 171.1 | -59.7 | -171.2 | 0 | 0 | 0 | 113.2 | L77 L81 V83 F180 G185 V298 F520 R522 | L77-L187 HydrophobicContact CD1-CD2 3.83Å; L81-L187 HydrophobicContact CB-CD2 4.46Å; L81-L187 HydrophobicContact CD1-CD2 4.24Å; V83-L187 HydrophobicContact CG1-CD1 4.28Å; V83-L187 HydrophobicContact CG2-CD1 4.22Å; V83-L187 HydrophobicContact CG2-CD2 3.99Å; F180-L187 VanDerWaalsContact C-CD1 3.42Å; G185-L187 PolarHBondContact O-N 3.34Å; L187-V298 HydrophobicContact CB-CG2 4Å; L187-F520 HydrophobicContact CB-CZ 4.05Å; L187-F520 HydrophobicContact CD1-CZ 4.38Å; L187-F520 HydrophobicContact CD2-CE2 4.38Å; L187-R522 WeakPolarHBondContact O-CD 3.38Å | ||
| 188 | T | 96.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -82.1 | -42.3 | -178.2 | 66.3 | 0 | 0 | 0 | 0 | 111.6 | D186 A240 D241 F244 F245 P296 V298 R522 | D186-T188 WeakPolarHBondContact OD1-CA 3.19Å; D186-T188 WeakPolarHBondContact OD1-CB 3.5Å; D186-T188 PolarHBondContact OD1-N 3.44Å; D186-T188 PolarHBondContact OD1-OG1 2.91Å; T188-A240 HydrophobicContact CG2-CB 4.11Å; T188-A240 WeakPolarHBondContact OG1-CA 3.24Å; T188-A240 WeakPolarHBondContact OG1-CB 3.46Å; T188-D241 PolarHBondContact OG1-N 2.99Å; T188-F244 HydrophobicContact CG2-CB 4.33Å; T188-F244 WeakPolarHBondContact O-CD2 3.2Å; T188-F245 HydrophobicContact CG2-CB 4.18Å; T188-P296 HydrophobicContact CG2-CB 3.98Å; T188-V298 HydrophobicContact CG2-CG2 3.87Å; T188-R522 WeakPolarHBondContact O-CD 3.36Å; T188-R522 PolarHBondContact O-NE 3.43Å |
| 189 | N | 94.1 | Very high | 89.4 | Confident | 11 Ų | 11 | 21.2 Ų | 21.2 | 6% | 0.059 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -81.8 | 144.4 | 175.9 | -74.2 | -75.2 | 0 | 0 | 0 | 112.8 | D186 R193 K194 Y199 R239 D241 | D186-N189 WeakPolarHBondContact OD2-CB 3.32Å; D186-N189 PolarHBondContact OD2-ND2 2.71Å; N189-R193 HydrophobicContact CB-CB 4.14Å; N189-R193 VanDerWaalsContact OD1-CD 3.28Å; N189-R193 WeakPolarHBondContact OD1-CD 3.41Å; N189-K194 HydrophobicContact CB-CG 4.2Å; N189-K194 WeakPolarHBondContact O-CE 3.36Å; N189-Y199 HydrophobicContact CB-CE2 4.4Å; N189-R239 PolarHBondContact ND2-O 3.24Å; N189-D241 PolarHBondContact ND2-N 3.36Å |
| 190 | W | 94.1 | Very high | 88.5 | Confident | 4 Ų | 4 | 24.7 Ų | 24.7 | 2% | 0.015 | 14% | 0.139 | C | C | . | . | trans | -79.4 | 162 | 169.6 | 82.2 | -86.3 | 0 | 0 | 0 | 112.1 | Q192 R193 K194 E550 V565 L567 F612 C684 Q695 | W190-Q192 HydrophobicContact CD2-CB 4.01Å; W190-Q192 HydrophobicContact CE3-CB 3.79Å; W190-Q192 HydrophobicContact CH2-CB 3.31Å; W190-Q192 VanDerWaalsContact CH2-CD 3.48Å; W190-Q192 HydrophobicContact CH2-CG 4.01Å; W190-Q192 VanDerWaalsContact CH2-OE1 3.31Å; W190-Q192 HydrophobicContact CZ2-CB 3.54Å; W190-Q192 HydrophobicContact CZ2-CG 4.18Å; W190-Q192 HydrophobicContact CZ3-CB 3.44Å; W190-Q192 VanDerWaalsContact CZ3-CB 3.44Å; W190-Q192 PolarHBondContact O-N 3.03Å; W190-R193 VanDerWaalsContact CD1-NE 3.31Å; W190-R193 WeakPolarHBondContact O-CB 3.49Å; W190-R193 PolarHBondContact O-N 3.3Å; W190-K194 PolarHBondContact O-N 3.38Å; W190-E550 WeakPolarHBondContact CA-OE2 3.49Å; W190-E550 VanDerWaalsContact CB-OE2 3.29Å; W190-E550 WeakPolarHBondContact CB-OE2 3.34Å; W190-V565 HydrophobicContact CE3-CG1 3.9Å; W190-V565 HydrophobicContact CZ3-CG1 3.98Å; W190-L567 HydrophobicContact CB-CD1 4.29Å; W190-L567 HydrophobicContact CD2-CB 4.48Å; W190-L567 HydrophobicContact CD2-CD1 4.43Å; W190-L567 HydrophobicContact CD2-CD2 4.1Å; W190-L567 HydrophobicContact CE3-CB 4.27Å; W190-L567 HydrophobicContact CG-CD1 4.33Å; W190-L567 HydrophobicContact CG-CD2 4.25Å; W190-L567 HydrophobicContact CH2-CB 4.31Å; W190-L567 HydrophobicContact CZ2-CD2 4.2Å; W190-L567 HydrophobicContact CZ3-CB 4.18Å; W190-F612 HydrophobicContact CZ2-CE1 4.23Å; W190-F612 HydrophobicContact CZ2-CZ 4.21Å; W190-C684 HydrophobicContact CH2-CB 4.49Å; W190-C684 HydrophobicContact CZ3-CB 4.16Å; W190-Q695 HydrophobicContact CH2-CB 4.11Å | ||
| 191 | T | 92.4 | Very high | 87.3 | Confident | 23 Ų | 23 | 26.6 Ų | 26.6 | 14% | 0.141 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.9 | -42.5 | -164.8 | -48.8 | 0 | 0 | 0 | 0 | 113.8 | R193 K194 T195 E550 V565 I686 | T191-R193 VanDerWaalsContact C-N 3.32Å; T191-R193 PolarHBondContact O-N 2.99Å; T191-K194 WeakPolarHBondContact O-CB 3.32Å; T191-K194 PolarHBondContact O-N 2.89Å; T191-K194 VanDerWaalsContact O-N 3.13Å; T191-T195 PolarHBondContact O-N 2.86Å; T191-E550 WeakPolarHBondContact CB-OE1 3.13Å; T191-E550 PolarHBondContact N-OE1 2.82Å; T191-E550 PolarHBondContact OG1-OE1 3.27Å; T191-V565 HydrophobicContact CG2-CG2 4.22Å; T191-I686 HydrophobicContact CG2-CD1 3.55Å |
| 192 | Q | 92.5 | Very high | 86 | Confident | 22 Ų | 22 | 27.2 Ų | 27.2 | 10% | 0.103 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.3 | -31.7 | 179.1 | -169.6 | 178.5 | -66 | 0 | 0 | 112.8 | W190 K194 T195 H196 C684 E694 Q695 | W190-Q192 HydrophobicContact CD2-CB 4.01Å; W190-Q192 HydrophobicContact CE3-CB 3.79Å; W190-Q192 HydrophobicContact CH2-CB 3.31Å; W190-Q192 VanDerWaalsContact CH2-CD 3.48Å; W190-Q192 HydrophobicContact CH2-CG 4.01Å; W190-Q192 VanDerWaalsContact CH2-OE1 3.31Å; W190-Q192 HydrophobicContact CZ2-CB 3.54Å; W190-Q192 HydrophobicContact CZ2-CG 4.18Å; W190-Q192 HydrophobicContact CZ3-CB 3.44Å; W190-Q192 VanDerWaalsContact CZ3-CB 3.44Å; W190-Q192 PolarHBondContact O-N 3.03Å; Q192-K194 VanDerWaalsContact C-N 3.29Å; Q192-K194 PolarHBondContact O-N 2.63Å; Q192-T195 WeakPolarHBondContact CA-OG1 3.29Å; Q192-T195 PolarHBondContact O-N 3.47Å; Q192-T195 PolarHBondContact O-OG1 2.84Å; Q192-H196 PolarHBondContact O-N 2.92Å; Q192-C684 HydrophobicContact CB-CB 4.08Å; Q192-C684 HydrophobicContact CG-CB 4.3Å; Q192-C684 VanDerWaalsContact OE1-CB 3.27Å; Q192-E694 HydrophobicContact CG-CG 4.43Å; Q192-Q695 PolarHBondContact NE2-O 3.33Å |
| 193 | R | 90.1 | Very high | 84.7 | Confident | 50 Ų | 50 | 26 Ų | 26 | 19% | 0.189 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.1 | -35.7 | 173.6 | -96.7 | -168.5 | -85.1 | -127.3 | -25.4 | 111.6 | N189 W190 T191 T195 H196 Y199 D241 E548 E611 | N189-R193 HydrophobicContact CB-CB 4.14Å; N189-R193 VanDerWaalsContact OD1-CD 3.28Å; N189-R193 WeakPolarHBondContact OD1-CD 3.41Å; W190-R193 VanDerWaalsContact CD1-NE 3.31Å; W190-R193 WeakPolarHBondContact O-CB 3.49Å; W190-R193 PolarHBondContact O-N 3.3Å; T191-R193 VanDerWaalsContact C-N 3.32Å; T191-R193 PolarHBondContact O-N 2.99Å; R193-T195 VanDerWaalsContact C-N 3.32Å; R193-T195 PolarHBondContact O-N 3.05Å; R193-H196 PolarHBondContact O-N 2.86Å; R193-Y199 VanDerWaalsContact O-CB 3.27Å; R193-Y199 WeakPolarHBondContact O-CB 3.34Å; R193-D241 IonicContact CZ-OD2 3.51Å; R193-D241 IonicContact NH1-OD2 3.21Å; R193-E548 IonicContact NH2-OE1 2.73Å; R193-E548 PolarHBondContact NH2-OE1 3.02Å; R193-E611 IonicContact CZ-OE1 3.86Å; R193-E611 IonicContact CZ-OE2 3.41Å; R193-E611 IonicContact NH1-OE1 3.72Å; R193-E611 PolarHBondContact NH1-OE1 3.44Å; R193-E611 IonicContact NH1-OE2 3.6Å; R193-E611 PolarHBondContact NH1-OE2 3.18Å; R193-E611 VanDerWaalsContact NH1-OE2 3.14Å; R193-E611 IonicContact NH2-OE1 2.83Å; R193-E611 IonicContact NH2-OE2 3.94Å; R193-E611 PolarHBondContact NH2-OE2 3.04Å |
| 194 | K | 89.5 | Confident | 83.6 | Confident | 20 Ų | 20 | 29.4 Ų | 29.4 | 9% | 0.087 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.4 | -25.4 | 177.2 | -62 | 176.3 | 170.7 | -180 | 0 | 113.7 | D79 D186 N189 W190 T191 Q192 Y199 W200 | D79-K194 WeakPolarHBondContact OD2-CD 3.13Å; D79-K194 IonicContact OD2-NZ 3.91Å; D79-K194 PolarHBondContact OD2-NZ 3.44Å; D186-K194 VanDerWaalsContact O-CE 3.23Å; D186-K194 WeakPolarHBondContact O-CE 3.47Å; D186-K194 PolarHBondContact O-NZ 3.27Å; N189-K194 HydrophobicContact CB-CG 4.2Å; N189-K194 WeakPolarHBondContact O-CE 3.36Å; W190-K194 PolarHBondContact O-N 3.38Å; T191-K194 WeakPolarHBondContact O-CB 3.32Å; T191-K194 PolarHBondContact O-N 2.89Å; T191-K194 VanDerWaalsContact O-N 3.13Å; Q192-K194 VanDerWaalsContact C-N 3.29Å; Q192-K194 PolarHBondContact O-N 2.63Å; K194-Y199 HydrophobicContact CB-CD1 4.39Å; K194-Y199 HydrophobicContact CB-CE1 3.99Å; K194-Y199 HydrophobicContact CG-CE1 4.07Å; K194-Y199 WeakPolarHBondContact O-CD1 3.18Å; K194-W200 PolarHBondContact O-NE1 2.92Å |
| 195 | T | 85.3 | Confident | 82.2 | Confident | 52 Ų | 52 | 30.8 Ų | 30.8 | 32% | 0.319 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -84.1 | -17.8 | 178.9 | 47.3 | 0 | 0 | 0 | 0 | 114.4 | T191 Q192 R193 I686 V691 | T191-T195 PolarHBondContact O-N 2.86Å; Q192-T195 WeakPolarHBondContact CA-OG1 3.29Å; Q192-T195 PolarHBondContact O-N 3.47Å; Q192-T195 PolarHBondContact O-OG1 2.84Å; R193-T195 VanDerWaalsContact C-N 3.32Å; R193-T195 PolarHBondContact O-N 3.05Å; T195-I686 HydrophobicContact CG2-CD1 3.68Å; T195-I686 HydrophobicContact CG2-CG1 4.17Å; T195-V691 HydrophobicContact CG2-CG2 4.23Å |
| 196 | H | 81.5 | Confident | 80.4 | Confident | 74 Ų | 74 | 34.3 Ų | 34.3 | 34% | 0.343 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -74.6 | 135.7 | -179.3 | -168.6 | -99.6 | 0 | 0 | 0 | 111.6 | Q192 R193 S198 Y199 | Q192-H196 PolarHBondContact O-N 2.92Å; R193-H196 PolarHBondContact O-N 2.86Å; H196-S198 VanDerWaalsContact C-N 3.29Å; H196-S198 PolarHBondContact CE1-OG 2.91Å; H196-S198 PolarHBondContact ND1-N 2.89Å; H196-S198 PolarHBondContact ND1-OG 2.76Å; H196-S198 PolarHBondContact O-N 2.84Å; H196-Y199 WeakPolarHBondContact O-CB 3.46Å; H196-Y199 PolarHBondContact O-N 3.45Å; H196-Y199 VanDerWaalsContact O-N 3.14Å |
| 197 | P | 74.3 | Confident | 78.2 | Confident | 24 Ų | 24 | 38.4 Ų | 38.4 | 16% | 0.156 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.5 | -36 | -174.9 | -26.7 | 34.6 | 0 | 0 | 0 | 114.5 | Y199 W200 N201 V205 F224 | P197-Y199 PolarHBondContact O-N 2.81Å; P197-W200 PolarHBondContact O-N 2.9Å; P197-W200 VanDerWaalsContact O-N 3.07Å; P197-N201 PolarHBondContact O-OD1 2.92Å; P197-V205 HydrophobicContact CB-CG2 4.09Å; P197-F224 HydrophobicContact CG-CE1 3.59Å; P197-F224 HydrophobicContact CG-CZ 3.82Å |
| 198 | S | 78 | Confident | 75.7 | Confident | 34 Ų | 34 | 43.2 Ų | 43.2 | 24% | 0.238 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.6 | -21.3 | -178.7 | 72.2 | 0 | 0 | 0 | 0 | 113.9 | H196 W200 N201 G202 V203 Y270 | H196-S198 VanDerWaalsContact C-N 3.29Å; H196-S198 PolarHBondContact CE1-OG 2.91Å; H196-S198 PolarHBondContact ND1-N 2.89Å; H196-S198 PolarHBondContact ND1-OG 2.76Å; H196-S198 PolarHBondContact O-N 2.84Å; S198-W200 VanDerWaalsContact C-N 3.29Å; S198-W200 PolarHBondContact O-N 2.84Å; S198-N201 WeakPolarHBondContact CA-OD1 3.42Å; S198-G202 WeakPolarHBondContact O-CA 3.23Å; S198-G202 PolarHBondContact O-N 3.06Å; S198-V203 WeakPolarHBondContact CA-O 3.12Å; S198-V203 WeakPolarHBondContact CB-O 3.41Å; S198-Y270 PolarHBondContact O-OH 3.24Å |
| 199 | Y | 83.7 | Confident | 73.3 | Confident | 18 Ų | 18 | 48.8 Ų | 48.8 | 7% | 0.071 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.8 | -31.9 | 174.6 | 163.8 | -103.6 | 0 | 0 | 0 | 111.8 | D186 N189 R193 K194 H196 P197 R239 Y270 | D186-Y199 WeakPolarHBondContact CB-OH 3.15Å; D186-Y199 PolarHBondContact OD2-OH 3.04Å; N189-Y199 HydrophobicContact CB-CE2 4.4Å; R193-Y199 VanDerWaalsContact O-CB 3.27Å; R193-Y199 WeakPolarHBondContact O-CB 3.34Å; K194-Y199 HydrophobicContact CB-CD1 4.39Å; K194-Y199 HydrophobicContact CB-CE1 3.99Å; K194-Y199 HydrophobicContact CG-CE1 4.07Å; K194-Y199 WeakPolarHBondContact O-CD1 3.18Å; H196-Y199 WeakPolarHBondContact O-CB 3.46Å; H196-Y199 PolarHBondContact O-N 3.45Å; H196-Y199 VanDerWaalsContact O-N 3.14Å; P197-Y199 PolarHBondContact O-N 2.81Å; Y199-R239 HydrophobicContact CD2-CB 4Å; Y199-R239 HydrophobicContact CE2-CB 3.68Å; Y199-R239 HydrophobicContact CE2-CG 4.5Å; Y199-R239 VanDerWaalsContact CZ-NH1 3.26Å; Y199-R239 WeakPolarHBondContact O-CD 3.17Å; Y199-R239 VanDerWaalsContact O-CG 3.24Å; Y199-R239 WeakPolarHBondContact O-CG 3.22Å; Y199-R239 PolarHBondContact OH-NH1 2.72Å; Y199-Y270 PolarHBondContact O-OH 3.05Å |
| 200 | W | 78.5 | Confident | 70.7 | Confident | 76 Ų | 76 | 52 Ų | 52 | 29% | 0.288 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -85.1 | -33.3 | -175.1 | -66.1 | 96.6 | 0 | 0 | 0 | 113.7 | K194 P197 S198 P230 Y233 Q234 | K194-W200 PolarHBondContact O-NE1 2.92Å; P197-W200 PolarHBondContact O-N 2.9Å; P197-W200 VanDerWaalsContact O-N 3.07Å; S198-W200 VanDerWaalsContact C-N 3.29Å; S198-W200 PolarHBondContact O-N 2.84Å; W200-P230 HydrophobicContact CB-CB 3.98Å; W200-P230 HydrophobicContact CB-CG 4.34Å; W200-Y233 AromaticContact CE3-CD1 3.59Å; W200-Y233 HydrophobicContact CE3-CD1 3.59Å; W200-Y233 AromaticContact CE3-CE1 3.92Å; W200-Y233 HydrophobicContact CE3-CE1 3.92Å; W200-Y233 AromaticContact CZ3-CD1 3.59Å; W200-Y233 HydrophobicContact CZ3-CD1 3.59Å; W200-Y233 AromaticContact CZ3-CE1 3.83Å; W200-Y233 HydrophobicContact CZ3-CE1 3.83Å; W200-Q234 WeakPolarHBondContact O-CG 3.4Å |
| 201 | N | 70 | Confident | 68.2 | Low | 40 Ų | 40 | 58.2 Ų | 58.2 | 21% | 0.214 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -112.3 | -16.6 | -176.3 | 63.9 | 7.6 | 0 | 0 | 0 | 114.4 | P197 S198 V203 G271 | P197-N201 PolarHBondContact O-OD1 2.92Å; S198-N201 WeakPolarHBondContact CA-OD1 3.42Å; N201-V203 HydrophobicContact CB-CG2 4.25Å; N201-V203 PolarHBondContact O-N 3.49Å; N201-V203 PolarHBondContact OD1-N 2.85Å; N201-V203 PolarHBondContact OD1-O 2.97Å; N201-G271 WeakPolarHBondContact O-CA 3.11Å; N201-G271 PolarHBondContact O-N 2.84Å |
| 202 | G | 67.6 | Low | 65.8 | Low | 17 Ų | 17 | 62.5 Ų | 62.5 | 18% | 0.175 | 34% | 0.343 | C | S | . | . | trans | 75.1 | 3.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S198 Y270 G271 | S198-G202 WeakPolarHBondContact O-CA 3.23Å; S198-G202 PolarHBondContact O-N 3.06Å; G202-Y270 VanDerWaalsContact CA-CE2 3.49Å; G202-G271 VanDerWaalsContact O-CA 3.25Å; G202-G271 WeakPolarHBondContact O-CA 3.37Å | ||
| 203 | V | 63.2 | Low | 63.3 | Low | 24 Ų | 24 | 67.1 Ų | 67.1 | 15% | 0.145 | 37% | 0.369 | C | S | . | . | trans | -89.3 | 122.5 | -177.9 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | S198 N201 V205 N273 | S198-V203 WeakPolarHBondContact CA-O 3.12Å; S198-V203 WeakPolarHBondContact CB-O 3.41Å; N201-V203 HydrophobicContact CB-CG2 4.25Å; N201-V203 PolarHBondContact O-N 3.49Å; N201-V203 PolarHBondContact OD1-N 2.85Å; N201-V203 PolarHBondContact OD1-O 2.97Å; V203-V205 PolarHBondContact O-N 3.28Å; V203-N273 WeakPolarHBondContact CG2-OD1 3.34Å | ||
| 204 | P | 60.2 | Low | 60.8 | Low | 109 Ų | 109 | 73.3 Ų | 73.3 | 71% | 0.708 | 41% | 0.406 | S | S | * | . | trans | -64.3 | 123.5 | 171.6 | 27.3 | -32.7 | 0 | 0 | 0 | 109.1 | N206 | P204-N206 PolarHBondContact O-N 3Š| ||
| 205 | V | 56.6 | Low | 58.4 | Low | 30 Ų | 30 | 75.1 Ų | 75.1 | 18% | 0.182 | 42% | 0.419 | C | S | . | . | trans | -76 | 108.5 | 172.8 | -179.3 | 0 | 0 | 0 | 0 | 107.1 | P197 V203 T207 L210 F224 F228 | P197-V205 HydrophobicContact CB-CG2 4.09Å; V203-V205 PolarHBondContact O-N 3.28Å; V205-T207 PolarHBondContact O-N 3.39Å; V205-L210 HydrophobicContact CG1-CD1 4.45Å; V205-F224 HydrophobicContact CG1-CE2 4.21Å; V205-F228 HydrophobicContact CG1-CZ 4.42Å; V205-F228 HydrophobicContact CG2-CE1 4.38Å | ||
| 206 | N | 50.8 | Low | 56.3 | Low | 87 Ų | 87 | 76.4 Ų | 76.4 | 47% | 0.465 | 43% | 0.427 | S | S | . | . | trans | -74.2 | 110.2 | 175.5 | -165 | 37.9 | 0 | 0 | 0 | 108.6 | P204 D208 D209 | P204-N206 PolarHBondContact O-N 3Å; N206-D208 PolarHBondContact O-N 3.06Å; N206-D209 WeakPolarHBondContact CB-OD2 3.22Å; N206-D209 PolarHBondContact ND2-OD2 3.12Å | ||
| 207 | T | 48.4 | Very low | 54.4 | Low | 89 Ų | 89 | 77.4 Ų | 77.4 | 55% | 0.546 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -65.5 | -29.1 | -177 | 42.2 | 0 | 0 | 0 | 0 | 112.7 | V205 D209 L210 | V205-T207 PolarHBondContact O-N 3.39Å; T207-D209 VanDerWaalsContact C-N 3.34Å; T207-D209 PolarHBondContact O-N 3.32Å; T207-L210 PolarHBondContact O-N 3.45Å; T207-L210 VanDerWaalsContact O-N 3.14Å |
| 208 | D | 43.4 | Very low | 52.8 | Low | 104 Ų | 104 | 83.7 Ų | 83.7 | 56% | 0.556 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -73.4 | -29.5 | -168.4 | -59.1 | 3.3 | 0 | 0 | 0 | 111.8 | N206 L210 L211 | N206-D208 PolarHBondContact O-N 3.06Å; D208-L210 PolarHBondContact O-N 3.19Å; D208-L211 PolarHBondContact O-N 2.86Å |
| 209 | D | 44.1 | Very low | 50.8 | Low | 116 Ų | 116 | 86.5 Ų | 86.5 | 62% | 0.62 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -67.6 | -15.1 | 174.3 | -67 | -50.8 | 0 | 0 | 0 | 112.9 | N206 T207 | N206-D209 WeakPolarHBondContact CB-OD2 3.22Å; N206-D209 PolarHBondContact ND2-OD2 3.12Å; T207-D209 VanDerWaalsContact C-N 3.34Å; T207-D209 PolarHBondContact O-N 3.32Å |
| 210 | L | 41.4 | Very low | 48.7 | Very low | 79 Ų | 79 | 89.5 Ų | 89.5 | 41% | 0.414 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -98.7 | -5.9 | -179.9 | -69.8 | 166 | 0 | 0 | 0 | 113.8 | V205 T207 D208 T212 F224 | V205-L210 HydrophobicContact CG1-CD1 4.45Å; T207-L210 PolarHBondContact O-N 3.45Å; T207-L210 VanDerWaalsContact O-N 3.14Å; D208-L210 PolarHBondContact O-N 3.19Å; L210-T212 VanDerWaalsContact C-N 3.32Å; L210-T212 PolarHBondContact O-N 2.87Å; L210-F224 HydrophobicContact CD1-CD2 4.42Å; L210-F224 HydrophobicContact CD1-CE2 4.26Å |
| 211 | L | 41.4 | Very low | 46.9 | Very low | 135 Ų | 135 | 89.6 Ų | 89.6 | 71% | 0.707 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -89.4 | 10.9 | -177.6 | -69 | 173.9 | 0 | 0 | 0 | 114.1 | D208 | D208-L211 PolarHBondContact O-N 2.86Š|
| 212 | T | 41.1 | Very low | 45.4 | Very low | 112 Ų | 112 | 94.1 Ų | 94.1 | 69% | 0.687 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -95.9 | -15.5 | -171.2 | 52.2 | 0 | 0 | 0 | 0 | 115.3 | L210 | L210-T212 VanDerWaalsContact C-N 3.32Å; L210-T212 PolarHBondContact O-N 2.87Å |
| 213 | D | 39.8 | Very low | 43.8 | Very low | 120 Ų | 120 | 99.7 Ų | 99.7 | 64% | 0.642 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -113.3 | 131.7 | -179.8 | -85.1 | -42.2 | 0 | 0 | 0 | 112.5 | T215 | D213-T215 HydrophobicContact CB-CG2 4.48Å; D213-T215 PolarHBondContact O-N 2.95Å; D213-T215 PolarHBondContact O-OG1 2.85Å |
| 214 | N | 39.1 | Very low | 42.7 | Very low | 179 Ų | 179 | 102.4 Ų | 102.4 | 96% | 0.957 | 55% | 0.547 | S | S | * | . | trans | -73.3 | 54.9 | -178.9 | -68.5 | -53.4 | 0 | 0 | 0 | 113.4 | ||||
| 215 | T | 38.9 | Very low | 41.9 | Very low | 59 Ų | 59 | 100.6 Ų | 100.6 | 36% | 0.362 | 54% | 0.537 | S | S | . | . | trans | -94.7 | 152.6 | 177.4 | 48 | 0 | 0 | 0 | 0 | 111.5 | D213 Q220 | D213-T215 HydrophobicContact CB-CG2 4.48Å; D213-T215 PolarHBondContact O-N 2.95Å; D213-T215 PolarHBondContact O-OG1 2.85Å; T215-Q220 PolarHBondContact O-NE2 2.75Å; T215-Q220 WeakPolarHBondContact OG1-CG 3.5Å; T215-Q220 PolarHBondContact OG1-NE2 2.99Å | ||
| 216 | T | 40.7 | Very low | 41.1 | Very low | 79 Ų | 79 | 105 Ų | 105 | 49% | 0.485 | 55% | 0.554 | S | S | . | * | trans | -76.4 | 154.3 | -177.2 | 61.1 | 0 | 0 | 0 | 0 | 112.1 | E218 E219 Q220 | T216-E218 PolarHBondContact O-N 2.95Å; T216-E219 PolarHBondContact N-OE2 3.09Å; T216-E219 PolarHBondContact O-N 3.42Å; T216-E219 VanDerWaalsContact O-N 3.1Å; T216-E219 VanDerWaalsContact OG1-CG 3.29Å; T216-E219 WeakPolarHBondContact OG1-CG 3.31Å; T216-E219 PolarHBondContact OG1-OE2 3.45Å; T216-Q220 WeakPolarHBondContact O-CG 3.3Å; T216-Q220 PolarHBondContact O-N 2.96Å | ||
| 217 | S | 42.2 | Very low | 40.7 | Very low | 94 Ų | 94 | 106.8 Ų | 106.8 | 66% | 0.657 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.4 | -28.7 | -177.2 | 51.5 | 0 | 0 | 0 | 0 | 113.9 | S221 | S217-S221 PolarHBondContact O-N 3.24Å |
| 218 | E | 39.5 | Very low | 40.7 | Very low | 157 Ų | 157 | 106.3 Ų | 106.3 | 73% | 0.734 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -70.8 | -47.8 | 174.1 | -62.1 | -170.9 | 156.6 | 0 | 0 | 111 | T216 Q220 S221 Y222 | T216-E218 PolarHBondContact O-N 2.95Å; E218-Q220 VanDerWaalsContact C-N 3.35Å; E218-Q220 PolarHBondContact O-N 3.14Å; E218-S221 PolarHBondContact O-N 2.98Å; E218-S221 PolarHBondContact O-OG 3.4Å; E218-Y222 PolarHBondContact O-N 2.9Å; E218-Y222 VanDerWaalsContact O-N 3.08Å |
| 219 | E | 36.6 | Very low | 40.8 | Very low | 92 Ų | 92 | 107.3 Ų | 107.3 | 43% | 0.43 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 175 | -69.7 | 172.2 | 124 | 0 | 0 | 111.9 | T216 S221 Y222 Y223 | T216-E219 PolarHBondContact N-OE2 3.09Å; T216-E219 PolarHBondContact O-N 3.42Å; T216-E219 VanDerWaalsContact O-N 3.1Å; T216-E219 VanDerWaalsContact OG1-CG 3.29Å; T216-E219 WeakPolarHBondContact OG1-CG 3.31Å; T216-E219 PolarHBondContact OG1-OE2 3.45Å; E219-S221 VanDerWaalsContact C-N 3.35Å; E219-S221 PolarHBondContact O-N 2.76Å; E219-Y222 WeakPolarHBondContact O-CB 3.33Å; E219-Y222 PolarHBondContact O-N 2.94Å; E219-Y222 VanDerWaalsContact O-N 3.14Å; E219-Y223 WeakPolarHBondContact O-CD2 3.4Å; E219-Y223 PolarHBondContact O-N 3.4Å |
| 220 | Q | 40.1 | Very low | 41 | Very low | 81 Ų | 81 | 104 Ų | 104 | 38% | 0.379 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -56.8 | -47.4 | 176.2 | -72.6 | 176.8 | -6.2 | 0 | 0 | 111.3 | T215 T216 E218 Y222 Y223 F224 | T215-Q220 PolarHBondContact O-NE2 2.75Å; T215-Q220 WeakPolarHBondContact OG1-CG 3.5Å; T215-Q220 PolarHBondContact OG1-NE2 2.99Å; T216-Q220 WeakPolarHBondContact O-CG 3.3Å; T216-Q220 PolarHBondContact O-N 2.96Å; E218-Q220 VanDerWaalsContact C-N 3.35Å; E218-Q220 PolarHBondContact O-N 3.14Å; Q220-Y222 VanDerWaalsContact C-N 3.3Å; Q220-Y222 PolarHBondContact O-N 3.5Å; Q220-Y223 PolarHBondContact O-N 3.42Å; Q220-F224 VanDerWaalsContact O-CB 3.3Å; Q220-F224 WeakPolarHBondContact O-CB 3.29Å; Q220-F224 PolarHBondContact O-N 2.99Å |
| 221 | S | 40.7 | Very low | 41.5 | Very low | 79 Ų | 79 | 104 Ų | 104 | 55% | 0.552 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.9 | -39.2 | 176.6 | 78.6 | 0 | 0 | 0 | 0 | 112.6 | S217 E218 E219 S225 | S217-S221 PolarHBondContact O-N 3.24Å; E218-S221 PolarHBondContact O-N 2.98Å; E218-S221 PolarHBondContact O-OG 3.4Å; E219-S221 VanDerWaalsContact C-N 3.35Å; E219-S221 PolarHBondContact O-N 2.76Å; S221-S225 PolarHBondContact O-N 2.95Å; S221-S225 VanDerWaalsContact O-N 3.1Å |
| 222 | Y | 38.1 | Very low | 42.5 | Very low | 134 Ų | 134 | 98.4 Ų | 98.4 | 53% | 0.525 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.2 | -44.5 | 179.2 | -172.1 | -104.1 | 0 | 0 | 0 | 112.2 | E218 E219 Q220 S225 K226 | E218-Y222 PolarHBondContact O-N 2.9Å; E218-Y222 VanDerWaalsContact O-N 3.08Å; E219-Y222 WeakPolarHBondContact O-CB 3.33Å; E219-Y222 PolarHBondContact O-N 2.94Å; E219-Y222 VanDerWaalsContact O-N 3.14Å; Q220-Y222 VanDerWaalsContact C-N 3.3Å; Q220-Y222 PolarHBondContact O-N 3.5Å; Y222-S225 PolarHBondContact O-N 3.16Å; Y222-S225 PolarHBondContact O-OG 2.95Å; Y222-K226 HydrophobicContact CD1-CD 4.33Å; Y222-K226 HydrophobicContact CE1-CD 3.79Å; Y222-K226 PolarHBondContact O-N 3.25Å; Y222-K226 WeakPolarHBondContact OH-CE 3.38Å; Y222-K226 PolarHBondContact OH-NZ 3.06Å |
| 223 | Y | 34.1 | Very low | 44 | Very low | 134 Ų | 134 | 95.8 Ų | 95.8 | 53% | 0.525 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 174.1 | -89.8 | -75 | 0 | 0 | 0 | 111.8 | E219 Q220 S225 K226 Q227 | E219-Y223 WeakPolarHBondContact O-CD2 3.4Å; E219-Y223 PolarHBondContact O-N 3.4Å; Q220-Y223 PolarHBondContact O-N 3.42Å; Y223-S225 VanDerWaalsContact C-N 3.32Å; Y223-S225 PolarHBondContact O-N 3.43Å; Y223-K226 PolarHBondContact O-N 2.91Å; Y223-K226 VanDerWaalsContact O-N 3.09Å; Y223-Q227 WeakPolarHBondContact O-CB 3.35Å; Y223-Q227 PolarHBondContact O-N 3.3Å |
| 224 | F | 40.5 | Very low | 46.1 | Very low | 82 Ų | 82 | 90.3 Ų | 90.3 | 36% | 0.36 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -56.4 | -46.2 | 176.5 | -158.8 | -102 | 0 | 0 | 0 | 111.3 | P197 V205 L210 Q220 K226 F228 | P197-F224 HydrophobicContact CG-CE1 3.59Å; P197-F224 HydrophobicContact CG-CZ 3.82Å; V205-F224 HydrophobicContact CG1-CE2 4.21Å; L210-F224 HydrophobicContact CD1-CD2 4.42Å; L210-F224 HydrophobicContact CD1-CE2 4.26Å; Q220-F224 VanDerWaalsContact O-CB 3.3Å; Q220-F224 WeakPolarHBondContact O-CB 3.29Å; Q220-F224 PolarHBondContact O-N 2.99Å; F224-K226 VanDerWaalsContact C-N 3.28Å; F224-K226 PolarHBondContact O-N 3.34Å; F224-F228 HydrophobicContact CD2-CD2 4.26Å; F224-F228 HydrophobicContact CD2-CE2 4.46Å; F224-F228 HydrophobicContact CE2-CD2 4.41Å; F224-F228 HydrophobicContact CE2-CE2 4.47Å; F224-F228 PolarHBondContact O-N 3.19Å |
| 225 | S | 42.1 | Very low | 48.5 | Very low | 71 Ų | 71 | 81.8 Ų | 81.8 | 50% | 0.497 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.9 | -26.9 | 177.3 | 82.2 | 0 | 0 | 0 | 0 | 114.6 | S221 Y222 Y223 | S221-S225 PolarHBondContact O-N 2.95Å; S221-S225 VanDerWaalsContact O-N 3.1Å; Y222-S225 PolarHBondContact O-N 3.16Å; Y222-S225 PolarHBondContact O-OG 2.95Å; Y223-S225 VanDerWaalsContact C-N 3.32Å; Y223-S225 PolarHBondContact O-N 3.43Å |
| 226 | K | 41.1 | Very low | 51 | Low | 121 Ų | 121 | 79.2 Ų | 79.2 | 53% | 0.526 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -93.5 | -38.9 | -177.4 | -91.9 | -179.6 | 164.6 | 178.3 | 0 | 113.7 | Y222 Y223 F224 | Y222-K226 HydrophobicContact CD1-CD 4.33Å; Y222-K226 HydrophobicContact CE1-CD 3.79Å; Y222-K226 PolarHBondContact O-N 3.25Å; Y222-K226 WeakPolarHBondContact OH-CE 3.38Å; Y222-K226 PolarHBondContact OH-NZ 3.06Å; Y223-K226 PolarHBondContact O-N 2.91Å; Y223-K226 VanDerWaalsContact O-N 3.09Å; F224-K226 VanDerWaalsContact C-N 3.28Å; F224-K226 PolarHBondContact O-N 3.34Å |
| 227 | Q | 42.1 | Very low | 53.4 | Low | 126 Ų | 126 | 76.4 Ų | 76.4 | 59% | 0.589 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -77.3 | -39 | -178 | -70 | -176.8 | -7 | 0 | 0 | 112 | Y223 K229 | Y223-Q227 WeakPolarHBondContact O-CB 3.35Å; Y223-Q227 PolarHBondContact O-N 3.3Å; Q227-K229 VanDerWaalsContact C-N 3.34Å; Q227-K229 PolarHBondContact O-N 3.49Å |
| 228 | F | 47.5 | Very low | 55.6 | Low | 79 Ų | 79 | 73.7 Ų | 73.7 | 35% | 0.346 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 40.5 | -177.5 | -73.2 | -81.4 | 0 | 0 | 0 | 114.2 | V205 F224 P230 | V205-F228 HydrophobicContact CG1-CZ 4.42Å; V205-F228 HydrophobicContact CG2-CE1 4.38Å; F224-F228 HydrophobicContact CD2-CD2 4.26Å; F224-F228 HydrophobicContact CD2-CE2 4.46Å; F224-F228 HydrophobicContact CE2-CD2 4.41Å; F224-F228 HydrophobicContact CE2-CE2 4.47Å; F224-F228 PolarHBondContact O-N 3.19Å; F228-P230 WeakPolarHBondContact O-CD 3.46Å |
| 229 | K | 45.7 | Very low | 58 | Low | 125 Ų | 125 | 67.3 Ų | 67.3 | 54% | 0.543 | 32% | 0.319 | S | S | . | . | trans | -65.7 | 119.4 | 161.4 | -78.9 | -168.7 | 176 | -172.7 | 0 | 108.7 | Q227 V231 | Q227-K229 VanDerWaalsContact C-N 3.34Å; Q227-K229 PolarHBondContact O-N 3.49Å; K229-V231 PolarHBondContact O-N 3.04Å; K229-V231 VanDerWaalsContact O-N 3.1Å | ||
| 230 | P | 48.6 | Very low | 60.7 | Low | 46 Ų | 46 | 63.6 Ų | 63.6 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | trans | -66.8 | 115.1 | -177.9 | 26.4 | -33.2 | 0 | 0 | 0 | 109.8 | W200 F228 W232 Y233 | W200-P230 HydrophobicContact CB-CB 3.98Å; W200-P230 HydrophobicContact CB-CG 4.34Å; F228-P230 WeakPolarHBondContact O-CD 3.46Å; P230-W232 PolarHBondContact O-N 3.4Å; P230-Y233 HydrophobicContact CG-CE1 4.42Å | ||
| 231 | V | 52.6 | Low | 63.2 | Low | 78 Ų | 78 | 60.7 Ų | 60.7 | 47% | 0.473 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -66.3 | -25.8 | 179.7 | -173.8 | 0 | 0 | 0 | 0 | 111.3 | K229 P280 | K229-V231 PolarHBondContact O-N 3.04Å; K229-V231 VanDerWaalsContact O-N 3.1Å; V231-P280 WeakPolarHBondContact O-CB 3.43Å |
| 232 | W | 61.7 | Low | 65.7 | Low | 18 Ų | 18 | 62.9 Ų | 62.9 | 7% | 0.068 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -137 | 131.6 | -178.7 | -66.8 | 98.2 | 0 | 0 | 0 | 111.1 | P230 F267 P268 F274 D278 P280 F283 | P230-W232 PolarHBondContact O-N 3.4Å; W232-F267 HydrophobicContact CE3-CD2 4.13Å; W232-F267 AromaticContact CE3-CE2 3.78Å; W232-F267 HydrophobicContact CE3-CE2 3.78Å; W232-F267 HydrophobicContact CZ3-CD2 4.23Å; W232-F267 HydrophobicContact CZ3-CE2 4.22Å; W232-P268 HydrophobicContact CB-CG 4.17Å; W232-P268 HydrophobicContact CD2-CG 4.1Å; W232-P268 HydrophobicContact CG-CG 3.81Å; W232-F274 HydrophobicContact CZ2-CE1 4.37Å; W232-F274 AromaticContact NE1-CD1 3.47Å; W232-F274 AromaticContact NE1-CE1 3.84Å; W232-D278 HydrophobicContact CZ2-CB 4.32Å; W232-P280 HydrophobicContact CD2-CB 4.39Å; W232-P280 HydrophobicContact CE3-CB 4Å; W232-P280 HydrophobicContact CH2-CB 4.32Å; W232-P280 HydrophobicContact CZ3-CB 3.98Å; W232-F283 AromaticContact CH2-CD2 3.76Å; W232-F283 HydrophobicContact CH2-CD2 3.76Å; W232-F283 HydrophobicContact CH2-CE2 4.01Å; W232-F283 HydrophobicContact CZ3-CB 4.15Å; W232-F283 AromaticContact CZ3-CD2 3.51Å; W232-F283 HydrophobicContact CZ3-CD2 3.51Å; W232-F283 HydrophobicContact CZ3-CE2 4.17Å; W232-F283 AromaticContact CZ3-CG 3.98Å; W232-F283 HydrophobicContact CZ3-CG 3.98Å |
| 233 | Y | 71.4 | Confident | 68.3 | Low | 57 Ų | 57 | 58.2 Ų | 58.2 | 22% | 0.224 | 27% | 0.274 | C | S | . | . | trans | -87.6 | 102.5 | 172.4 | -71.9 | -78.2 | 0 | 0 | 0 | 109.9 | W200 P230 F267 P381 | W200-Y233 AromaticContact CE3-CD1 3.59Å; W200-Y233 HydrophobicContact CE3-CD1 3.59Å; W200-Y233 AromaticContact CE3-CE1 3.92Å; W200-Y233 HydrophobicContact CE3-CE1 3.92Å; W200-Y233 AromaticContact CZ3-CD1 3.59Å; W200-Y233 HydrophobicContact CZ3-CD1 3.59Å; W200-Y233 AromaticContact CZ3-CE1 3.83Å; W200-Y233 HydrophobicContact CZ3-CE1 3.83Å; P230-Y233 HydrophobicContact CG-CE1 4.42Å; Y233-F267 WeakPolarHBondContact O-CZ 3.23Å; Y233-P381 HydrophobicContact CE2-CG 4.15Å; Y233-P381 WeakPolarHBondContact OH-CD 3.28Å | ||
| 234 | Q | 84.2 | Confident | 71.3 | Confident | 5 Ų | 5 | 51.8 Ų | 51.8 | 2% | 0.023 | 25% | 0.249 | C | C | . | . | trans | -64.2 | 141.2 | 177.3 | -70.7 | -76.2 | -21.6 | 0 | 0 | 111.1 | W200 R239 P268 Y270 | W200-Q234 WeakPolarHBondContact O-CG 3.4Å; Q234-R239 HydrophobicContact CB-CG 4.17Å; Q234-R239 PolarHBondContact O-NE 3.07Å; Q234-R239 PolarHBondContact O-NH2 2.94Å; Q234-P268 PolarHBondContact NE2-O 2.83Å; Q234-Y270 HydrophobicContact CB-CD2 3.99Å; Q234-Y270 HydrophobicContact CB-CE2 4.13Å; Q234-Y270 HydrophobicContact CG-CD2 3.74Å; Q234-Y270 HydrophobicContact CG-CE2 4.15Å | ||
| 235 | P | 89.4 | Confident | 73.9 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -61.9 | 145.3 | 179.4 | 25.8 | -36.4 | 0 | 0 | 0 | 111.8 | W237 R238 L262 V287 E291 | P235-W237 VanDerWaalsContact C-N 3.26Å; P235-W237 HydrophobicContact CB-CD2 3.92Å; P235-W237 HydrophobicContact CB-CE3 3.95Å; P235-W237 HydrophobicContact CB-CH2 3.55Å; P235-W237 HydrophobicContact CB-CZ2 3.55Å; P235-W237 HydrophobicContact CB-CZ3 3.76Å; P235-W237 HydrophobicContact CG-CD2 4.39Å; P235-W237 HydrophobicContact CG-CH2 4.23Å; P235-W237 HydrophobicContact CG-CZ2 3.72Å; P235-W237 PolarHBondContact O-N 3.3Å; P235-W237 VanDerWaalsContact O-N 3.14Å; P235-R238 HydrophobicContact CG-CB 4.46Å; P235-R238 HydrophobicContact CG-CG 4Å; P235-R238 WeakPolarHBondContact O-CB 3.41Å; P235-R238 PolarHBondContact O-N 3.47Å; P235-L262 HydrophobicContact CB-CD1 4.45Å; P235-L262 HydrophobicContact CG-CD1 3.87Å; P235-V287 HydrophobicContact CB-CG1 4.11Å; P235-E291 VanDerWaalsContact CA-OE1 3.31Å; P235-E291 WeakPolarHBondContact CA-OE1 3.32Å | ||
| 236 | V | 91.6 | Very high | 76.4 | Confident | 6 Ų | 6 | 45.6 Ų | 45.6 | 4% | 0.036 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -53.3 | -37.5 | -174.4 | 162.8 | 0 | 0 | 0 | 0 | 113.2 | D186 R238 R239 A240 E291 P296 | D186-V236 HydrophobicContact CB-CG1 3.77Å; D186-V236 HydrophobicContact CB-CG2 4.1Å; V236-R238 PolarHBondContact O-N 3.42Å; V236-R238 VanDerWaalsContact O-N 3.14Å; V236-R239 CarbonylContact O-C 3.51Å; V236-R239 PolarHBondContact O-N 3.19Å; V236-A240 HydrophobicContact CG1-CB 4.42Å; V236-A240 WeakPolarHBondContact O-CB 3.43Å; V236-A240 PolarHBondContact O-N 2.83Å; V236-E291 HydrophobicContact CB-CG 4.49Å; V236-E291 WeakPolarHBondContact CG2-OE1 3.19Å; V236-E291 PolarHBondContact N-OE1 3.25Å; V236-P296 HydrophobicContact CG1-CG 3.52Å |
| 237 | W | 91.2 | Very high | 79 | Confident | 20 Ų | 20 | 39.8 Ų | 39.8 | 8% | 0.076 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -67.6 | -12.3 | 179.2 | 65.4 | 79 | 0 | 0 | 0 | 114.9 | P235 F245 I255 A258 L262 L290 E291 L294 | P235-W237 VanDerWaalsContact C-N 3.26Å; P235-W237 HydrophobicContact CB-CD2 3.92Å; P235-W237 HydrophobicContact CB-CE3 3.95Å; P235-W237 HydrophobicContact CB-CH2 3.55Å; P235-W237 HydrophobicContact CB-CZ2 3.55Å; P235-W237 HydrophobicContact CB-CZ3 3.76Å; P235-W237 HydrophobicContact CG-CD2 4.39Å; P235-W237 HydrophobicContact CG-CH2 4.23Å; P235-W237 HydrophobicContact CG-CZ2 3.72Å; P235-W237 PolarHBondContact O-N 3.3Å; P235-W237 VanDerWaalsContact O-N 3.14Å; W237-F245 HydrophobicContact CB-CE1 3.87Å; W237-F245 HydrophobicContact CB-CZ 4.32Å; W237-I255 HydrophobicContact CB-CD1 4.39Å; W237-I255 HydrophobicContact CB-CG2 4.5Å; W237-I255 HydrophobicContact CG-CG2 4.07Å; W237-A258 HydrophobicContact CH2-CB 4.08Å; W237-A258 HydrophobicContact CZ2-CB 3.77Å; W237-L262 HydrophobicContact CH2-CD1 4.24Å; W237-L262 HydrophobicContact CZ2-CD1 3.75Å; W237-L290 HydrophobicContact CH2-CB 3.63Å; W237-L290 HydrophobicContact CH2-CD1 4.22Å; W237-L290 HydrophobicContact CZ3-CB 3.93Å; W237-E291 HydrophobicContact CE3-CG 4.35Å; W237-E291 HydrophobicContact CZ3-CG 3.85Å; W237-L294 HydrophobicContact CE3-CB 4.09Å; W237-L294 HydrophobicContact CE3-CD1 4.11Å; W237-L294 HydrophobicContact CH2-CD1 4.27Å; W237-L294 HydrophobicContact CZ3-CB 4.33Å; W237-L294 HydrophobicContact CZ3-CD1 4Å |
| 238 | R | 89.6 | Confident | 81.5 | Confident | 36 Ų | 36 | 37.8 Ų | 37.8 | 14% | 0.136 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -90.2 | -13.2 | 169.5 | -69.2 | 179.8 | 175.3 | -176.7 | -7 | 113.4 | P235 V236 D259 P268 Y270 | P235-R238 HydrophobicContact CG-CB 4.46Å; P235-R238 HydrophobicContact CG-CG 4Å; P235-R238 WeakPolarHBondContact O-CB 3.41Å; P235-R238 PolarHBondContact O-N 3.47Å; V236-R238 PolarHBondContact O-N 3.42Å; V236-R238 VanDerWaalsContact O-N 3.14Å; R238-D259 IonicContact CZ-OD1 3.35Å; R238-D259 VanDerWaalsContact CZ-OD1 3.26Å; R238-D259 IonicContact CZ-OD2 2.87Å; R238-D259 IonicContact NE-OD1 3.13Å; R238-D259 PolarHBondContact NE-OD1 2.77Å; R238-D259 IonicContact NE-OD2 2.91Å; R238-D259 IonicContact NH2-OD1 3.83Å; R238-D259 PolarHBondContact NH2-OD1 2.95Å; R238-D259 IonicContact NH2-OD2 3.84Å; R238-D259 PolarHBondContact NH2-OD2 2.69Å; R238-P268 PolarHBondContact NH1-O 2.99Å; R238-Y270 HydrophobicContact CB-CD2 4.08Å; R238-Y270 HydrophobicContact CB-CG 4.38Å |
| 239 | R | 89.6 | Confident | 83.6 | Confident | 24 Ų | 24 | 37.9 Ų | 37.9 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -23.7 | -174.9 | -63.9 | -172 | -76.1 | 149.7 | -11.2 | 113.7 | N189 Y199 Q234 V236 Y270 | N189-R239 PolarHBondContact ND2-O 3.24Å; Y199-R239 HydrophobicContact CD2-CB 4Å; Y199-R239 HydrophobicContact CE2-CB 3.68Å; Y199-R239 HydrophobicContact CE2-CG 4.5Å; Y199-R239 VanDerWaalsContact CZ-NH1 3.26Å; Y199-R239 WeakPolarHBondContact O-CD 3.17Å; Y199-R239 VanDerWaalsContact O-CG 3.24Å; Y199-R239 WeakPolarHBondContact O-CG 3.22Å; Y199-R239 PolarHBondContact OH-NH1 2.72Å; Q234-R239 HydrophobicContact CB-CG 4.17Å; Q234-R239 PolarHBondContact O-NE 3.07Å; Q234-R239 PolarHBondContact O-NH2 2.94Å; V236-R239 CarbonylContact O-C 3.51Å; V236-R239 PolarHBondContact O-N 3.19Å; R239-Y270 HydrophobicContact CG-CE2 3.74Å |
| 240 | A | 92.4 | Very high | 85.8 | Confident | 14 Ų | 14 | 32.2 Ų | 32.2 | 12% | 0.116 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -61.8 | 140.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T188 V236 E242 F245 | T188-A240 HydrophobicContact CG2-CB 4.11Å; T188-A240 WeakPolarHBondContact OG1-CA 3.24Å; T188-A240 WeakPolarHBondContact OG1-CB 3.46Å; V236-A240 HydrophobicContact CG1-CB 4.42Å; V236-A240 WeakPolarHBondContact O-CB 3.43Å; V236-A240 PolarHBondContact O-N 2.83Å; A240-E242 PolarHBondContact O-N 3.02Å; A240-F245 HydrophobicContact CB-CD1 3.8Å; A240-F245 HydrophobicContact CB-CE1 4.29Å |
| 241 | D | 93.6 | Very high | 88 | Confident | 19 Ų | 19 | 30 Ų | 30 | 10% | 0.102 | 14% | 0.139 | C | C | . | . | trans | -70.5 | 109 | 173.6 | -172.3 | -19.6 | 0 | 0 | 0 | 110 | T188 N189 R193 R243 F244 F245 | T188-D241 PolarHBondContact OG1-N 2.99Å; N189-D241 PolarHBondContact ND2-N 3.36Å; R193-D241 IonicContact CZ-OD2 3.51Å; R193-D241 IonicContact NH1-OD2 3.21Å; D241-R243 PolarHBondContact O-N 3.36Å; D241-R243 WeakPolarHBondContact OD1-CB 3.49Å; D241-R243 WeakPolarHBondContact OD1-CG 3.46Å; D241-R243 PolarHBondContact OD1-N 3.44Å; D241-R243 IonicContact OD1-NE 3.52Å; D241-R243 PolarHBondContact OD1-NE 3Å; D241-R243 VanDerWaalsContact OD1-NE 3.08Å; D241-R243 IonicContact OD2-CZ 3.27Å; D241-R243 VanDerWaalsContact OD2-CZ 3.26Å; D241-R243 IonicContact OD2-NE 2.8Å; D241-R243 PolarHBondContact OD2-NE 3.21Å; D241-R243 IonicContact OD2-NH2 2.71Å; D241-R243 PolarHBondContact OD2-NH2 2.92Å; D241-F244 HydrophobicContact CB-CD2 4.09Å; D241-F244 PolarHBondContact O-N 3.14Å; D241-F244 WeakPolarHBondContact OD2-CD2 3.45Å; D241-F244 WeakPolarHBondContact OD2-CE2 3.42Å; D241-F245 PolarHBondContact O-N 2.81Å; D241-F245 VanDerWaalsContact O-N 3.11Å | ||
| 242 | E | 92.5 | Very high | 89.9 | Confident | 126 Ų | 126 | 28.1 Ų | 28.1 | 59% | 0.589 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -29.1 | 176.9 | -69.1 | -169 | -170.2 | 0 | 0 | 113 | A240 F244 Y526 | A240-E242 PolarHBondContact O-N 3.02Å; E242-F244 PolarHBondContact O-N 3.26Å; E242-Y526 WeakPolarHBondContact CB-OH 3.24Å; E242-Y526 PolarHBondContact OE2-OH 3.5Å |
| 243 | R | 93.7 | Very high | 91.4 | Very high | 35 Ų | 35 | 30.2 Ų | 30.2 | 13% | 0.132 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -29.7 | 178 | -59.1 | 178.1 | -59.4 | 151.8 | 12 | 110.7 | D241 S524 C525 Y526 Y546 E548 E611 | D241-R243 PolarHBondContact O-N 3.36Å; D241-R243 WeakPolarHBondContact OD1-CB 3.49Å; D241-R243 WeakPolarHBondContact OD1-CG 3.46Å; D241-R243 PolarHBondContact OD1-N 3.44Å; D241-R243 IonicContact OD1-NE 3.52Å; D241-R243 PolarHBondContact OD1-NE 3Å; D241-R243 VanDerWaalsContact OD1-NE 3.08Å; D241-R243 IonicContact OD2-CZ 3.27Å; D241-R243 VanDerWaalsContact OD2-CZ 3.26Å; D241-R243 IonicContact OD2-NE 2.8Å; D241-R243 PolarHBondContact OD2-NE 3.21Å; D241-R243 IonicContact OD2-NH2 2.71Å; D241-R243 PolarHBondContact OD2-NH2 2.92Å; R243-S524 CarbonylContact O-C 3.55Å; R243-S524 WeakPolarHBondContact O-CA 3.42Å; R243-S524 PolarHBondContact O-OG 2.63Å; R243-C525 PolarHBondContact O-N 2.71Å; R243-C525 PolarHBondContact O-SG 3.05Å; R243-Y526 HydrophobicContact CB-CE2 4.45Å; R243-Y526 HydrophobicContact CG-CD2 4.13Å; R243-Y526 HydrophobicContact CG-CE2 3.7Å; R243-Y546 PolarHBondContact NH1-OH 2.71Å; R243-E548 IonicContact CZ-OE1 3.86Å; R243-E548 IonicContact NH1-OE1 3.62Å; R243-E548 IonicContact NH2-OE1 3.92Å; R243-E548 PolarHBondContact NH2-OE1 2.93Å; R243-E611 IonicContact CZ-OE1 2.68Å; R243-E611 IonicContact NH1-OE1 3.79Å; R243-E611 IonicContact NH2-OE1 3.33Å |
| 244 | F | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118 | -6.6 | -172.7 | -55.4 | -58.2 | 0 | 0 | 0 | 115.1 | T188 D241 E242 W246 V298 R522 Y546 E548 | T188-F244 HydrophobicContact CG2-CB 4.33Å; T188-F244 WeakPolarHBondContact O-CD2 3.2Å; D241-F244 HydrophobicContact CB-CD2 4.09Å; D241-F244 PolarHBondContact O-N 3.14Å; D241-F244 WeakPolarHBondContact OD2-CD2 3.45Å; D241-F244 WeakPolarHBondContact OD2-CE2 3.42Å; E242-F244 PolarHBondContact O-N 3.26Å; F244-W246 VanDerWaalsContact C-N 3.3Å; F244-W246 PolarHBondContact O-N 2.95Å; F244-V298 HydrophobicContact CB-CG1 4.36Å; F244-R522 HydrophobicContact CB-CB 4.48Å; F244-R522 HydrophobicContact CD1-CB 3.52Å; F244-R522 HydrophobicContact CD2-CB 4.29Å; F244-R522 HydrophobicContact CE1-CB 3.7Å; F244-R522 VanDerWaalsContact CE1-O 3.28Å; F244-R522 WeakPolarHBondContact CE1-O 3.46Å; F244-R522 HydrophobicContact CE2-CB 4.42Å; F244-R522 HydrophobicContact CG-CB 3.84Å; F244-R522 HydrophobicContact CZ-CB 4.15Å; F244-Y546 HydrophobicContact CE1-CD1 4.48Å; F244-Y546 HydrophobicContact CZ-CD1 4.33Å; F244-Y546 HydrophobicContact CZ-CE1 4.11Å; F244-E548 HydrophobicContact CE2-CB 4.47Å; F244-E548 HydrophobicContact CE2-CG 4.24Å; F244-E548 HydrophobicContact CZ-CB 3.88Å; F244-E548 HydrophobicContact CZ-CG 3.8Å |
| 245 | F | 95.3 | Very high | 92.9 | Very high | 8 Ų | 8 | 27.8 Ų | 27.8 | 4% | 0.035 | 13% | 0.131 | C | C | . | . | trans | -74.8 | 75 | 176.2 | -163.7 | 163.8 | 0 | 0 | 0 | 111.7 | T188 W237 A240 D241 N247 F248 I251 I255 P296 | T188-F245 HydrophobicContact CG2-CB 4.18Å; W237-F245 HydrophobicContact CB-CE1 3.87Å; W237-F245 HydrophobicContact CB-CZ 4.32Å; A240-F245 HydrophobicContact CB-CD1 3.8Å; A240-F245 HydrophobicContact CB-CE1 4.29Å; D241-F245 PolarHBondContact O-N 2.81Å; D241-F245 VanDerWaalsContact O-N 3.11Å; F245-N247 WeakPolarHBondContact CD2-OD1 3.46Å; F245-N247 WeakPolarHBondContact CE2-OD1 3.22Å; F245-N247 PolarHBondContact O-N 2.77Å; F245-F248 HydrophobicContact CB-CB 4.3Å; F245-F248 HydrophobicContact CD1-CB 4.23Å; F245-F248 AromaticContact CD1-CD2 3.81Å; F245-F248 HydrophobicContact CD1-CD2 3.81Å; F245-F248 HydrophobicContact CD1-CG 4.44Å; F245-F248 HydrophobicContact CD2-CB 3.87Å; F245-F248 AromaticContact CE1-CD2 3.71Å; F245-F248 HydrophobicContact CE1-CD2 3.71Å; F245-F248 HydrophobicContact CE1-CE2 4.48Å; F245-F248 HydrophobicContact CE2-CB 4.24Å; F245-F248 HydrophobicContact CG-CB 3.87Å; F245-F248 HydrophobicContact CG-CD2 4.33Å; F245-F248 HydrophobicContact CZ-CD2 4.12Å; F245-F248 WeakPolarHBondContact O-CB 3.35Å; F245-F248 PolarHBondContact O-N 3.14Å; F245-F248 VanDerWaalsContact O-N 3.14Å; F245-I251 HydrophobicContact CE2-CD1 4.12Å; F245-I251 HydrophobicContact CZ-CD1 4.19Å; F245-I255 HydrophobicContact CE1-CD1 4.29Å; F245-I255 HydrophobicContact CZ-CD1 3.87Å; F245-P296 HydrophobicContact CD2-CB 3.92Å; F245-P296 HydrophobicContact CE1-CG 4.42Å; F245-P296 HydrophobicContact CE2-CB 3.93Å; F245-P296 HydrophobicContact CE2-CG 4.28Å; F245-P296 HydrophobicContact CG-CB 4.32Å; F245-P296 HydrophobicContact CZ-CB 4.3Å; F245-P296 HydrophobicContact CZ-CG 4.16Å | ||
| 246 | W | 95.1 | Very high | 93.1 | Very high | 14 Ų | 14 | 32 Ų | 32 | 5% | 0.053 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -36.1 | -166.6 | 177.7 | 80 | 0 | 0 | 0 | 115.5 | I52 L170 F178 F244 L250 I297 C525 F809 | I52-W246 HydrophobicContact CG2-CH2 4.47Å; I52-W246 HydrophobicContact CG2-CZ3 3.85Å; L170-W246 HydrophobicContact CD2-CH2 4Å; L170-W246 HydrophobicContact CD2-CZ3 4.23Å; F178-W246 HydrophobicContact CD1-CD2 4.18Å; F178-W246 HydrophobicContact CD1-CE3 4.07Å; F178-W246 HydrophobicContact CD1-CZ3 4.32Å; F178-W246 AromaticContact CE1-CD2 3.54Å; F178-W246 HydrophobicContact CE1-CD2 3.54Å; F178-W246 AromaticContact CE1-CE2 3.48Å; F178-W246 VanDerWaalsContact CE1-CE2 3.48Å; F178-W246 AromaticContact CE1-CE3 3.77Å; F178-W246 HydrophobicContact CE1-CE3 3.77Å; F178-W246 HydrophobicContact CE1-CG 4.13Å; F178-W246 AromaticContact CE1-CH2 3.91Å; F178-W246 HydrophobicContact CE1-CH2 3.91Å; F178-W246 AromaticContact CE1-CZ2 3.66Å; F178-W246 HydrophobicContact CE1-CZ2 3.66Å; F178-W246 AromaticContact CE1-CZ3 3.95Å; F178-W246 HydrophobicContact CE1-CZ3 3.95Å; F178-W246 AromaticContact CE1-NE1 4Å; F178-W246 HydrophobicContact CZ-CD2 4.48Å; F178-W246 HydrophobicContact CZ-CH2 4.12Å; F178-W246 AromaticContact CZ-CZ2 3.8Å; F178-W246 HydrophobicContact CZ-CZ2 3.8Å; F244-W246 VanDerWaalsContact C-N 3.3Å; F244-W246 PolarHBondContact O-N 2.95Å; W246-L250 HydrophobicContact CH2-CD1 4.47Å; W246-L250 HydrophobicContact CZ3-CD1 4.41Å; W246-I297 VanDerWaalsContact CB-O 3.27Å; W246-I297 WeakPolarHBondContact CB-O 3.44Å; W246-I297 HydrophobicContact CE3-CB 4.35Å; W246-I297 HydrophobicContact CE3-CG2 4.05Å; W246-I297 PolarHBondContact N-O 2.81Å; W246-C525 VanDerWaalsContact CA-SG 3.5Å; W246-F809 HydrophobicContact CH2-CB 4.34Å; W246-F809 AromaticContact CH2-CD1 3.72Å; W246-F809 HydrophobicContact CH2-CD1 3.72Å; W246-F809 AromaticContact CH2-CD2 3.93Å; W246-F809 HydrophobicContact CH2-CD2 3.93Å; W246-F809 AromaticContact CH2-CE1 3.83Å; W246-F809 HydrophobicContact CH2-CE1 3.83Å; W246-F809 AromaticContact CH2-CE2 4Å; W246-F809 HydrophobicContact CH2-CE2 4Å; W246-F809 AromaticContact CH2-CG 3.78Å; W246-F809 HydrophobicContact CH2-CG 3.78Å; W246-F809 AromaticContact CH2-CZ 3.96Å; W246-F809 HydrophobicContact CH2-CZ 3.96Å; W246-F809 HydrophobicContact CZ2-CB 3.68Å; W246-F809 AromaticContact CZ2-CD1 3.91Å; W246-F809 HydrophobicContact CZ2-CD1 3.91Å; W246-F809 AromaticContact CZ2-CD2 3.49Å; W246-F809 HydrophobicContact CZ2-CD2 3.49Å; W246-F809 VanDerWaalsContact CZ2-CD2 3.49Å; W246-F809 HydrophobicContact CZ2-CE1 4.34Å; W246-F809 AromaticContact CZ2-CE2 3.92Å; W246-F809 HydrophobicContact CZ2-CE2 3.92Å; W246-F809 AromaticContact CZ2-CG 3.46Å; W246-F809 HydrophobicContact CZ2-CG 3.46Å; W246-F809 VanDerWaalsContact CZ2-CG 3.46Å; W246-F809 HydrophobicContact CZ2-CZ 4.34Å |
| 247 | N | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 2.8 | -179.3 | 62.1 | -41.3 | 0 | 0 | 0 | 114.6 | I52 F245 H249 L250 I251 M295 I297 | I52-N247 WeakPolarHBondContact O-CB 3.37Å; F245-N247 WeakPolarHBondContact CD2-OD1 3.46Å; F245-N247 WeakPolarHBondContact CE2-OD1 3.22Å; F245-N247 PolarHBondContact O-N 2.77Å; N247-H249 VanDerWaalsContact C-N 3.32Å; N247-H249 PolarHBondContact O-N 3.46Å; N247-H249 VanDerWaalsContact O-N 3.17Å; N247-L250 HydrophobicContact CB-CD1 4.39Å; N247-L250 WeakPolarHBondContact O-CB 3.09Å; N247-L250 PolarHBondContact O-N 2.85Å; N247-I251 PolarHBondContact O-N 2.74Å; N247-M295 PolarHBondContact ND2-O 2.99Å; N247-I297 HydrophobicContact CB-CB 4.31Å; N247-I297 HydrophobicContact CB-CD1 4.16Å; N247-I297 HydrophobicContact CB-CG1 4.46Å; N247-I297 PolarHBondContact OD1-N 2.73Å |
| 248 | F | 94.2 | Very high | 93.2 | Very high | 83 Ų | 83 | 33.4 Ų | 33.4 | 36% | 0.364 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -49.5 | -47.4 | -172.5 | 179.9 | -100.6 | 0 | 0 | 0 | 113.4 | F245 L250 I251 S252 I255 | F245-F248 HydrophobicContact CB-CB 4.3Å; F245-F248 HydrophobicContact CD1-CB 4.23Å; F245-F248 AromaticContact CD1-CD2 3.81Å; F245-F248 HydrophobicContact CD1-CD2 3.81Å; F245-F248 HydrophobicContact CD1-CG 4.44Å; F245-F248 HydrophobicContact CD2-CB 3.87Å; F245-F248 AromaticContact CE1-CD2 3.71Å; F245-F248 HydrophobicContact CE1-CD2 3.71Å; F245-F248 HydrophobicContact CE1-CE2 4.48Å; F245-F248 HydrophobicContact CE2-CB 4.24Å; F245-F248 HydrophobicContact CG-CB 3.87Å; F245-F248 HydrophobicContact CG-CD2 4.33Å; F245-F248 HydrophobicContact CZ-CD2 4.12Å; F245-F248 WeakPolarHBondContact O-CB 3.35Å; F245-F248 PolarHBondContact O-N 3.14Å; F245-F248 VanDerWaalsContact O-N 3.14Å; F248-L250 VanDerWaalsContact C-N 3.33Å; F248-L250 PolarHBondContact O-N 3.1Å; F248-I251 CarbonylContact O-C 3.51Å; F248-I251 PolarHBondContact O-N 3.2Å; F248-S252 WeakPolarHBondContact O-CA 3.5Å; F248-S252 WeakPolarHBondContact O-CB 3.48Å; F248-S252 PolarHBondContact O-N 3.25Å; F248-I255 HydrophobicContact CD2-CD1 3.78Å; F248-I255 HydrophobicContact CE2-CD1 3.91Å; F248-I255 HydrophobicContact CE2-CG2 4.45Å |
| 249 | H | 92.1 | Very high | 93.2 | Very high | 82 Ų | 82 | 34 Ų | 34 | 38% | 0.38 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -58.5 | -42.7 | 177.7 | 177.9 | 78.2 | 0 | 0 | 0 | 112.6 | N247 I251 S252 G811 | N247-H249 VanDerWaalsContact C-N 3.32Å; N247-H249 PolarHBondContact O-N 3.46Å; N247-H249 VanDerWaalsContact O-N 3.17Å; H249-I251 VanDerWaalsContact C-N 3.28Å; H249-I251 PolarHBondContact O-N 2.57Å; H249-S252 WeakPolarHBondContact O-CB 3.46Å; H249-S252 PolarHBondContact O-N 2.78Å; H249-S252 PolarHBondContact O-OG 3.48Å; H249-G811 WeakPolarHBondContact CD2-CA 3.25Å; H249-G811 VanDerWaalsContact NE2-CA 3.33Å; H249-G811 WeakPolarHBondContact NE2-CA 3.28Å |
| 250 | L | 93.1 | Very high | 93.3 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.9 | -20.5 | -174.7 | -51.3 | 172.5 | 0 | 0 | 0 | 113.3 | I52 G53 K54 I55 W246 N247 F248 F809 | I52-L250 HydrophobicContact CG2-CD1 4.08Å; G53-L250 WeakPolarHBondContact CA-O 3.31Å; K54-L250 PolarHBondContact N-O 2.87Å; K54-L250 WeakPolarHBondContact O-CD2 3.5Å; I55-L250 HydrophobicContact CB-CD2 4.38Å; I55-L250 HydrophobicContact CD1-CD2 4.36Å; I55-L250 HydrophobicContact CG1-CD2 4.34Å; W246-L250 HydrophobicContact CH2-CD1 4.47Å; W246-L250 HydrophobicContact CZ3-CD1 4.41Å; N247-L250 HydrophobicContact CB-CD1 4.39Å; N247-L250 WeakPolarHBondContact O-CB 3.09Å; N247-L250 PolarHBondContact O-N 2.85Å; F248-L250 VanDerWaalsContact C-N 3.33Å; F248-L250 PolarHBondContact O-N 3.1Å; L250-F809 HydrophobicContact CD1-CD1 3.95Å |
| 251 | I | 94.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -120.7 | 14.5 | 175.1 | 60 | 163.1 | 0 | 0 | 0 | 113.7 | F245 N247 F248 H249 Q253 P254 I255 L294 | F245-I251 HydrophobicContact CE2-CD1 4.12Å; F245-I251 HydrophobicContact CZ-CD1 4.19Å; N247-I251 PolarHBondContact O-N 2.74Å; F248-I251 CarbonylContact O-C 3.51Å; F248-I251 PolarHBondContact O-N 3.2Å; H249-I251 VanDerWaalsContact C-N 3.28Å; H249-I251 PolarHBondContact O-N 2.57Å; I251-Q253 VanDerWaalsContact C-N 3.33Å; I251-Q253 PolarHBondContact O-N 3.01Å; I251-P254 HydrophobicContact CB-CG 4.26Å; I251-P254 WeakPolarHBondContact O-CD 3.49Å; I251-P254 VanDerWaalsContact O-CG 3.27Å; I251-P254 WeakPolarHBondContact O-CG 3.34Å; I251-I255 HydrophobicContact CD1-CD1 3.85Å; I251-I255 HydrophobicContact CD1-CG1 4.34Å; I251-I255 HydrophobicContact CG1-CD1 3.8Å; I251-I255 HydrophobicContact CG1-CG1 4.42Å; I251-I255 WeakPolarHBondContact O-CG1 3.38Å; I251-I255 PolarHBondContact O-N 3.01Å; I251-I255 VanDerWaalsContact O-N 3.09Å; I251-L294 HydrophobicContact CD1-CB 4.33Å; I251-L294 HydrophobicContact CD1-CD2 4.48Å |
| 252 | S | 92.5 | Very high | 92.8 | Very high | 38 Ų | 38 | 40.5 Ų | 40.5 | 27% | 0.266 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -56.7 | -42.3 | -179.4 | 54.8 | 0 | 0 | 0 | 0 | 113.2 | F248 H249 I255 I256 | F248-S252 WeakPolarHBondContact O-CA 3.5Å; F248-S252 WeakPolarHBondContact O-CB 3.48Å; F248-S252 PolarHBondContact O-N 3.25Å; H249-S252 WeakPolarHBondContact O-CB 3.46Å; H249-S252 PolarHBondContact O-N 2.78Å; H249-S252 PolarHBondContact O-OG 3.48Å; S252-I255 PolarHBondContact O-N 3.27Å; S252-I256 WeakPolarHBondContact O-CG1 3.43Å; S252-I256 PolarHBondContact O-N 3Å |
| 253 | Q | 92.2 | Very high | 92.5 | Very high | 61 Ų | 61 | 38.1 Ų | 38.1 | 29% | 0.285 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.4 | -55.7 | 178.5 | 175.9 | 171.5 | 21.8 | 0 | 0 | 113.4 | L28 I251 I255 I256 E257 | L28-Q253 HydrophobicContact CB-CG 4.31Å; L28-Q253 PolarHBondContact O-NE2 2.97Å; I251-Q253 VanDerWaalsContact C-N 3.33Å; I251-Q253 PolarHBondContact O-N 3.01Å; Q253-I255 VanDerWaalsContact C-N 3.34Å; Q253-I256 PolarHBondContact O-N 2.6Å; Q253-E257 PolarHBondContact O-N 2.83Å |
| 254 | P | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -72.5 | -21.8 | 178 | 29.9 | -37.9 | 0 | 0 | 0 | 113.7 | L19 L28 I30 I251 E257 A258 L294 | L19-P254 HydrophobicContact CD1-CB 3.71Å; L19-P254 HydrophobicContact CD1-CG 4.19Å; L28-P254 HydrophobicContact CB-CB 4.41Å; L28-P254 HydrophobicContact CB-CG 4.21Å; L28-P254 HydrophobicContact CD1-CG 3.99Å; I30-P254 HydrophobicContact CD1-CB 4.17Å; I30-P254 WeakPolarHBondContact CD1-O 3.29Å; I30-P254 HydrophobicContact CG1-CB 4.15Å; I251-P254 HydrophobicContact CB-CG 4.26Å; I251-P254 WeakPolarHBondContact O-CD 3.49Å; I251-P254 VanDerWaalsContact O-CG 3.27Å; I251-P254 WeakPolarHBondContact O-CG 3.34Å; P254-E257 PolarHBondContact O-N 3.09Å; P254-A258 WeakPolarHBondContact O-CB 3.46Å; P254-A258 PolarHBondContact O-N 3.08Å; P254-L294 HydrophobicContact CB-CD2 3.93Å; P254-L294 HydrophobicContact CG-CD2 3.88Å |
| 255 | I | 94.1 | Very high | 91.6 | Very high | 11 Ų | 11 | 45.9 Ų | 45.9 | 6% | 0.056 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.7 | -49.3 | 167.4 | -73.1 | 169.8 | 0 | 0 | 0 | 110.5 | W237 F245 F248 I251 S252 Q253 E257 A258 D259 L294 | W237-I255 HydrophobicContact CB-CD1 4.39Å; W237-I255 HydrophobicContact CB-CG2 4.5Å; W237-I255 HydrophobicContact CG-CG2 4.07Å; F245-I255 HydrophobicContact CE1-CD1 4.29Å; F245-I255 HydrophobicContact CZ-CD1 3.87Å; F248-I255 HydrophobicContact CD2-CD1 3.78Å; F248-I255 HydrophobicContact CE2-CD1 3.91Å; F248-I255 HydrophobicContact CE2-CG2 4.45Å; I251-I255 HydrophobicContact CD1-CD1 3.85Å; I251-I255 HydrophobicContact CD1-CG1 4.34Å; I251-I255 HydrophobicContact CG1-CD1 3.8Å; I251-I255 HydrophobicContact CG1-CG1 4.42Å; I251-I255 WeakPolarHBondContact O-CG1 3.38Å; I251-I255 PolarHBondContact O-N 3.01Å; I251-I255 VanDerWaalsContact O-N 3.09Å; S252-I255 PolarHBondContact O-N 3.27Å; Q253-I255 VanDerWaalsContact C-N 3.34Å; I255-E257 PolarHBondContact O-N 2.92Å; I255-A258 PolarHBondContact O-N 2.66Å; I255-D259 WeakPolarHBondContact O-CB 3.22Å; I255-D259 PolarHBondContact O-N 3.02Å; I255-L294 HydrophobicContact CG1-CB 4.47Å; I255-L294 HydrophobicContact CG1-CD1 4.11Å; I255-L294 HydrophobicContact CG1-CD2 4.39Å |
| 256 | I | 93 | Very high | 90.9 | Very high | 89 Ų | 89 | 48 Ų | 48 | 46% | 0.456 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.1 | -36.7 | 177.7 | -67.9 | 163.4 | 0 | 0 | 0 | 111.3 | S252 Q253 R260 | S252-I256 WeakPolarHBondContact O-CG1 3.43Å; S252-I256 PolarHBondContact O-N 3Å; Q253-I256 PolarHBondContact O-N 2.6Å; I256-R260 WeakPolarHBondContact O-CD 3.24Å; I256-R260 VanDerWaalsContact O-CG 3.28Å; I256-R260 WeakPolarHBondContact O-CG 3.44Å; I256-R260 PolarHBondContact O-N 2.87Å; I256-R260 VanDerWaalsContact O-N 3.11Å |
| 257 | E | 92.2 | Very high | 90.2 | Very high | 56 Ų | 56 | 47.6 Ų | 47.6 | 26% | 0.262 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -73.7 | -39.8 | 178.1 | -155.5 | 77.9 | 147.7 | 0 | 0 | 112.6 | Q253 P254 I255 D259 R260 M261 | Q253-E257 PolarHBondContact O-N 2.83Å; P254-E257 PolarHBondContact O-N 3.09Å; I255-E257 PolarHBondContact O-N 2.92Å; E257-D259 VanDerWaalsContact C-N 3.31Å; E257-D259 PolarHBondContact O-N 3.34Å; E257-R260 PolarHBondContact O-N 2.91Å; E257-R260 WeakPolarHBondContact OE2-CD 3.43Å; E257-R260 IonicContact OE2-CZ 2.71Å; E257-R260 IonicContact OE2-NE 3.08Å; E257-R260 IonicContact OE2-NH1 2.6Å; E257-R260 PolarHBondContact OE2-NH1 2.88Å; E257-M261 WeakPolarHBondContact O-CG 3.48Å; E257-M261 PolarHBondContact O-N 2.97Å |
| 258 | A | 92.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.3 | -41.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I30 W237 P254 I255 R260 M261 L262 L290 L294 | I30-A258 HydrophobicContact CD1-CB 3.79Å; W237-A258 HydrophobicContact CH2-CB 4.08Å; W237-A258 HydrophobicContact CZ2-CB 3.77Å; P254-A258 WeakPolarHBondContact O-CB 3.46Å; P254-A258 PolarHBondContact O-N 3.08Å; I255-A258 PolarHBondContact O-N 2.66Å; A258-R260 PolarHBondContact O-N 2.8Å; A258-M261 PolarHBondContact O-N 2.97Å; A258-L262 WeakPolarHBondContact O-CG 3.31Å; A258-L262 PolarHBondContact O-N 3.26Å; A258-L290 HydrophobicContact CB-CD1 4.35Å; A258-L290 HydrophobicContact CB-CD2 4.2Å; A258-L294 HydrophobicContact CB-CD1 3.63Å |
| 259 | D | 90.8 | Very high | 88.5 | Confident | 48 Ų | 48 | 46.8 Ų | 46.8 | 26% | 0.257 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 178.6 | -150.5 | 83.6 | 0 | 0 | 0 | 112.1 | R238 I255 E257 T263 | R238-D259 IonicContact CZ-OD1 3.35Å; R238-D259 VanDerWaalsContact CZ-OD1 3.26Å; R238-D259 IonicContact CZ-OD2 2.87Å; R238-D259 IonicContact NE-OD1 3.13Å; R238-D259 PolarHBondContact NE-OD1 2.77Å; R238-D259 IonicContact NE-OD2 2.91Å; R238-D259 IonicContact NH2-OD1 3.83Å; R238-D259 PolarHBondContact NH2-OD1 2.95Å; R238-D259 IonicContact NH2-OD2 3.84Å; R238-D259 PolarHBondContact NH2-OD2 2.69Å; I255-D259 WeakPolarHBondContact O-CB 3.22Å; I255-D259 PolarHBondContact O-N 3.02Å; E257-D259 VanDerWaalsContact C-N 3.31Å; E257-D259 PolarHBondContact O-N 3.34Å; D259-T263 VanDerWaalsContact O-CB 3.28Å; D259-T263 WeakPolarHBondContact O-CB 3.29Å; D259-T263 PolarHBondContact O-N 2.79Å; D259-T263 PolarHBondContact O-OG1 2.69Å |
| 260 | R | 90.3 | Very high | 87.8 | Confident | 145 Ų | 145 | 47.2 Ų | 47.2 | 55% | 0.547 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 170.9 | -72.7 | 164.7 | 176.9 | 170.2 | -1.7 | 112.5 | I256 E257 A258 T263 T264 | I256-R260 WeakPolarHBondContact O-CD 3.24Å; I256-R260 VanDerWaalsContact O-CG 3.28Å; I256-R260 WeakPolarHBondContact O-CG 3.44Å; I256-R260 PolarHBondContact O-N 2.87Å; I256-R260 VanDerWaalsContact O-N 3.11Å; E257-R260 PolarHBondContact O-N 2.91Å; E257-R260 WeakPolarHBondContact OE2-CD 3.43Å; E257-R260 IonicContact OE2-CZ 2.71Å; E257-R260 IonicContact OE2-NE 3.08Å; E257-R260 IonicContact OE2-NH1 2.6Å; E257-R260 PolarHBondContact OE2-NH1 2.88Å; A258-R260 PolarHBondContact O-N 2.8Å; R260-T263 PolarHBondContact O-N 3.32Å; R260-T264 VanDerWaalsContact O-CB 3.27Å; R260-T264 WeakPolarHBondContact O-CB 3.26Å; R260-T264 PolarHBondContact O-N 3.23Å; R260-T264 PolarHBondContact O-OG1 3.23Å |
| 261 | M | 88.4 | Confident | 86.8 | Confident | 49 Ų | 49 | 48.4 Ų | 48.4 | 24% | 0.241 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.2 | -50.9 | 177.8 | -74.1 | 172.4 | 66.4 | 0 | 0 | 110.7 | I30 E257 A258 T263 T264 C265 | I30-M261 HydrophobicContact CB-SD 3.83Å; I30-M261 HydrophobicContact CG2-CE 4.03Å; I30-M261 HydrophobicContact CG2-SD 3.78Å; E257-M261 WeakPolarHBondContact O-CG 3.48Å; E257-M261 PolarHBondContact O-N 2.97Å; A258-M261 PolarHBondContact O-N 2.97Å; M261-T263 PolarHBondContact O-N 3.13Å; M261-T264 PolarHBondContact O-N 2.63Å; M261-C265 PolarHBondContact O-N 3.49Å; M261-C265 PolarHBondContact O-SG 2.71Å; M261-C265 VanDerWaalsContact O-SG 3.34Å |
| 262 | L | 88.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.4 | -49.9 | 176.2 | -71.8 | 177.1 | 0 | 0 | 0 | 111.4 | P235 W237 A258 T264 C265 G266 F267 L286 V287 L290 | P235-L262 HydrophobicContact CB-CD1 4.45Å; P235-L262 HydrophobicContact CG-CD1 3.87Å; W237-L262 HydrophobicContact CH2-CD1 4.24Å; W237-L262 HydrophobicContact CZ2-CD1 3.75Å; A258-L262 WeakPolarHBondContact O-CG 3.31Å; A258-L262 PolarHBondContact O-N 3.26Å; L262-T264 VanDerWaalsContact C-N 3.34Å; L262-T264 PolarHBondContact O-N 3.46Å; L262-C265 CarbonylContact O-C 3.6Å; L262-C265 PolarHBondContact O-N 2.87Å; L262-G266 PolarHBondContact O-N 2.77Å; L262-F267 HydrophobicContact CB-CB 3.89Å; L262-F267 HydrophobicContact CB-CD1 4.32Å; L262-F267 HydrophobicContact CB-CG 4.25Å; L262-F267 HydrophobicContact CD1-CD1 4.47Å; L262-F267 HydrophobicContact CD2-CB 4.44Å; L262-F267 HydrophobicContact CD2-CD2 4.47Å; L262-F267 HydrophobicContact CD2-CG 4.31Å; L262-F267 WeakPolarHBondContact O-CB 3.3Å; L262-F267 PolarHBondContact O-N 3.33Å; L262-L286 HydrophobicContact CD2-CD2 4.04Å; L262-L286 HydrophobicContact CD2-CG 4.32Å; L262-V287 HydrophobicContact CD2-CG2 4.1Å; L262-L290 HydrophobicContact CD2-CD1 4.22Å; L262-L290 HydrophobicContact CG-CD1 4.25Å |
| 263 | T | 86.4 | Confident | 84 | Confident | 76 Ų | 76 | 55.9 Ų | 55.9 | 47% | 0.466 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.5 | -38.2 | 179.7 | -55.7 | 0 | 0 | 0 | 0 | 112.4 | D259 R260 M261 C265 G266 | D259-T263 VanDerWaalsContact O-CB 3.28Å; D259-T263 WeakPolarHBondContact O-CB 3.29Å; D259-T263 PolarHBondContact O-N 2.79Å; D259-T263 PolarHBondContact O-OG1 2.69Å; R260-T263 PolarHBondContact O-N 3.32Å; M261-T263 PolarHBondContact O-N 3.13Å; T263-C265 VanDerWaalsContact C-N 3.32Å; T263-C265 PolarHBondContact O-N 3.4Å; T263-G266 PolarHBondContact O-N 3.38Å |
| 264 | T | 86.1 | Confident | 82.3 | Confident | 121 Ų | 121 | 57.2 Ų | 57.2 | 74% | 0.742 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -67.3 | -34.3 | 177.4 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | R260 M261 L262 G266 | R260-T264 VanDerWaalsContact O-CB 3.27Å; R260-T264 WeakPolarHBondContact O-CB 3.26Å; R260-T264 PolarHBondContact O-N 3.23Å; R260-T264 PolarHBondContact O-OG1 3.23Å; M261-T264 PolarHBondContact O-N 2.63Å; L262-T264 VanDerWaalsContact C-N 3.34Å; L262-T264 PolarHBondContact O-N 3.46Å; T264-G266 PolarHBondContact O-N 3.08Å |
| 265 | C | 83.4 | Confident | 80.4 | Confident | 76 Ų | 76 | 65.9 Ų | 65.9 | 51% | 0.514 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 6 | 172.5 | -62.1 | 0 | 0 | 0 | 0 | 113.5 | M261 L262 T263 F283 | M261-C265 PolarHBondContact O-N 3.49Å; M261-C265 PolarHBondContact O-SG 2.71Å; M261-C265 VanDerWaalsContact O-SG 3.34Å; L262-C265 CarbonylContact O-C 3.6Å; L262-C265 PolarHBondContact O-N 2.87Å; T263-C265 VanDerWaalsContact C-N 3.32Å; T263-C265 PolarHBondContact O-N 3.4Å; C265-F283 HydrophobicContact CB-CE1 3.77Å; C265-F283 HydrophobicContact CB-CZ 4.48Å; C265-F283 WeakPolarHBondContact O-CE1 3.4Å; C265-F283 VanDerWaalsContact O-CZ 3.27Å; C265-F283 WeakPolarHBondContact O-CZ 3.18Å |
| 266 | G | 80.6 | Confident | 78.4 | Confident | 53 Ų | 53 | 70.7 Ų | 70.7 | 55% | 0.546 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | 6.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | L262 T263 T264 | L262-G266 PolarHBondContact O-N 2.77Å; T263-G266 PolarHBondContact O-N 3.38Å; T264-G266 PolarHBondContact O-N 3.08Å |
| 267 | F | 80.7 | Confident | 76.3 | Confident | 5 Ų | 5 | 71 Ų | 71 | 2% | 0.022 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 132 | -179.1 | -168.3 | -89.8 | 0 | 0 | 0 | 111.4 | W232 Y233 L262 F283 V287 | W232-F267 HydrophobicContact CE3-CD2 4.13Å; W232-F267 AromaticContact CE3-CE2 3.78Å; W232-F267 HydrophobicContact CE3-CE2 3.78Å; W232-F267 HydrophobicContact CZ3-CD2 4.23Å; W232-F267 HydrophobicContact CZ3-CE2 4.22Å; Y233-F267 WeakPolarHBondContact O-CZ 3.23Å; L262-F267 HydrophobicContact CB-CB 3.89Å; L262-F267 HydrophobicContact CB-CD1 4.32Å; L262-F267 HydrophobicContact CB-CG 4.25Å; L262-F267 HydrophobicContact CD1-CD1 4.47Å; L262-F267 HydrophobicContact CD2-CB 4.44Å; L262-F267 HydrophobicContact CD2-CD2 4.47Å; L262-F267 HydrophobicContact CD2-CG 4.31Å; L262-F267 WeakPolarHBondContact O-CB 3.3Å; L262-F267 PolarHBondContact O-N 3.33Å; F267-F283 HydrophobicContact CB-CD1 4.32Å; F267-F283 HydrophobicContact CB-CE1 4.32Å; F267-F283 HydrophobicContact CD2-CB 3.96Å; F267-F283 AromaticContact CD2-CD1 3.76Å; F267-F283 HydrophobicContact CD2-CD1 3.76Å; F267-F283 HydrophobicContact CD2-CE1 4.46Å; F267-F283 AromaticContact CD2-CG 3.91Å; F267-F283 HydrophobicContact CD2-CG 3.91Å; F267-F283 HydrophobicContact CE2-CB 4.07Å; F267-F283 HydrophobicContact CE2-CG 4.49Å; F267-V287 HydrophobicContact CE2-CG2 4.12Å; F267-V287 HydrophobicContact CZ-CG2 4.32Å |
| 268 | P | 76.2 | Confident | 74.5 | Confident | 11 Ų | 11 | 72.7 Ų | 72.7 | 7% | 0.071 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 143.1 | -171.2 | 23.5 | -33.7 | 0 | 0 | 0 | 113.1 | W232 Q234 R238 S272 | W232-P268 HydrophobicContact CB-CG 4.17Å; W232-P268 HydrophobicContact CD2-CG 4.1Å; W232-P268 HydrophobicContact CG-CG 3.81Å; Q234-P268 PolarHBondContact NE2-O 2.83Å; R238-P268 PolarHBondContact NH1-O 2.99Å; P268-S272 WeakPolarHBondContact CB-OG 3.49Å |
| 269 | A | 78.3 | Confident | 72.7 | Confident | 55 Ų | 55 | 76.2 Ų | 76.2 | 46% | 0.455 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 153.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | G271 S272 | A269-G271 PolarHBondContact O-N 2.9Å; A269-S272 PolarHBondContact N-OG 2.9Å; A269-S272 WeakPolarHBondContact O-CB 3.5Å; A269-S272 PolarHBondContact O-N 2.87Å; A269-S272 VanDerWaalsContact O-N 3.11Å; A269-S272 PolarHBondContact O-OG 2.86Å |
| 270 | Y | 76.3 | Confident | 71.2 | Confident | 91 Ų | 91 | 75.8 Ų | 75.8 | 36% | 0.357 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 129.7 | 176.1 | -160.6 | -115.5 | 0 | 0 | 0 | 110.4 | S198 Y199 G202 Q234 R238 R239 S272 | S198-Y270 PolarHBondContact O-OH 3.24Å; Y199-Y270 PolarHBondContact O-OH 3.05Å; G202-Y270 VanDerWaalsContact CA-CE2 3.49Å; Q234-Y270 HydrophobicContact CB-CD2 3.99Å; Q234-Y270 HydrophobicContact CB-CE2 4.13Å; Q234-Y270 HydrophobicContact CG-CD2 3.74Å; Q234-Y270 HydrophobicContact CG-CE2 4.15Å; R238-Y270 HydrophobicContact CB-CD2 4.08Å; R238-Y270 HydrophobicContact CB-CG 4.38Å; R239-Y270 HydrophobicContact CG-CE2 3.74Å; Y270-S272 VanDerWaalsContact C-N 3.34Å; Y270-S272 PolarHBondContact O-N 2.86Å |
| 271 | G | 72.1 | Confident | 70 | Confident | 31 Ų | 31 | 72.1 Ų | 72.1 | 32% | 0.32 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 9.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | N201 G202 A269 | N201-G271 WeakPolarHBondContact O-CA 3.11Å; N201-G271 PolarHBondContact O-N 2.84Å; G202-G271 VanDerWaalsContact O-CA 3.25Å; G202-G271 WeakPolarHBondContact O-CA 3.37Å; A269-G271 PolarHBondContact O-N 2.9Å |
| 272 | S | 69.3 | Low | 68.9 | Low | 53 Ų | 53 | 77 Ų | 77 | 37% | 0.371 | 46% | 0.46 | S | S | . | . | trans | -87.7 | 127.8 | 175.4 | 64.4 | 0 | 0 | 0 | 0 | 113.1 | P268 A269 Y270 F274 | P268-S272 WeakPolarHBondContact CB-OG 3.49Å; A269-S272 PolarHBondContact N-OG 2.9Å; A269-S272 WeakPolarHBondContact O-CB 3.5Å; A269-S272 PolarHBondContact O-N 2.87Å; A269-S272 VanDerWaalsContact O-N 3.11Å; A269-S272 PolarHBondContact O-OG 2.86Å; Y270-S272 VanDerWaalsContact C-N 3.34Å; Y270-S272 PolarHBondContact O-N 2.86Å; S272-F274 PolarHBondContact O-N 2.85Å | ||
| 273 | N | 59.3 | Low | 68.4 | Low | 142 Ų | 142 | 78.1 Ų | 78.1 | 76% | 0.759 | 46% | 0.464 | S | S | * | . | trans | -77.5 | 106.9 | 176.6 | -76.5 | -25.1 | 0 | 0 | 0 | 110.8 | V203 | V203-N273 WeakPolarHBondContact CG2-OD1 3.34Š| ||
| 274 | F | 56.9 | Low | 68.1 | Low | 89 Ų | 89 | 77.1 Ų | 77.1 | 39% | 0.39 | 46% | 0.456 | S | S | . | . | trans | -94.4 | 150.8 | -177.8 | -162.5 | -103.2 | 0 | 0 | 0 | 112.7 | W232 S272 D278 | W232-F274 HydrophobicContact CZ2-CE1 4.37Å; W232-F274 AromaticContact NE1-CD1 3.47Å; W232-F274 AromaticContact NE1-CE1 3.84Å; S272-F274 PolarHBondContact O-N 2.85Å; F274-D278 HydrophobicContact CE1-CB 4.19Å; F274-D278 HydrophobicContact CZ-CB 4.3Å | ||
| 275 | K | 53.3 | Low | 68 | Low | 182 Ų | 182 | 75.1 Ų | 75.1 | 79% | 0.791 | 45% | 0.447 | S | S | * | . | trans | -98.1 | 136.2 | 174.4 | -69 | -175.2 | 178.2 | -178.6 | 0 | 110 | S277 | K275-S277 VanDerWaalsContact C-N 3.29Å; K275-S277 PolarHBondContact O-N 2.81Å | ||
| 276 | S | 51.4 | Low | 68.2 | Low | 113 Ų | 113 | 73 Ų | 73 | 79% | 0.79 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | 47.1 | -157.6 | 62.8 | 0 | 0 | 0 | 0 | 116.7 | ||
| 277 | S | 49.7 | Very low | 68.5 | Low | 96 Ų | 96 | 70.8 Ų | 70.8 | 67% | 0.671 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -30 | -179.2 | 52.6 | 0 | 0 | 0 | 0 | 115.1 | K275 | K275-S277 VanDerWaalsContact C-N 3.29Å; K275-S277 PolarHBondContact O-N 2.81Å |
| 278 | D | 54.2 | Low | 68.9 | Low | 91 Ų | 91 | 74.1 Ų | 74.1 | 49% | 0.487 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -108.5 | 141.1 | -161.5 | -55.8 | -1.7 | 0 | 0 | 0 | 111.4 | W232 F274 | W232-D278 HydrophobicContact CZ2-CB 4.32Å; F274-D278 HydrophobicContact CE1-CB 4.19Å; F274-D278 HydrophobicContact CZ-CB 4.3Å |
| 279 | S | 54.8 | Low | 69.6 | Low | 73 Ų | 73 | 74.6 Ų | 74.6 | 51% | 0.51 | 43% | 0.429 | S | S | . | . | trans | -85.2 | 127.1 | -169.7 | 50.2 | 0 | 0 | 0 | 0 | 113.5 | T281 | S279-T281 VanDerWaalsContact C-N 3.3Å; S279-T281 PolarHBondContact O-N 2.82Å | ||
| 280 | P | 59.8 | Low | 70.3 | Confident | 39 Ų | 39 | 72 Ų | 72 | 25% | 0.253 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -15.8 | -173.2 | 27.6 | -35.1 | 0 | 0 | 0 | 114.9 | V231 W232 Q282 F283 N284 | V231-P280 WeakPolarHBondContact O-CB 3.43Å; W232-P280 HydrophobicContact CD2-CB 4.39Å; W232-P280 HydrophobicContact CE3-CB 4Å; W232-P280 HydrophobicContact CH2-CB 4.32Å; W232-P280 HydrophobicContact CZ3-CB 3.98Å; P280-Q282 PolarHBondContact O-N 3.11Å; P280-F283 PolarHBondContact O-N 3.4Å; P280-N284 PolarHBondContact O-OD1 3.15Å |
| 281 | T | 64 | Low | 71 | Confident | 69 Ų | 69 | 68.7 Ų | 68.7 | 42% | 0.423 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.9 | -31 | -176.7 | 41.9 | 0 | 0 | 0 | 0 | 113.9 | S279 F283 S383 | S279-T281 VanDerWaalsContact C-N 3.3Å; S279-T281 PolarHBondContact O-N 2.82Å; T281-F283 PolarHBondContact O-N 3.07Å; T281-S383 WeakPolarHBondContact CG2-OG 3.35Å |
| 282 | Q | 66.7 | Low | 71.9 | Confident | 152 Ų | 152 | 67.2 Ų | 67.2 | 71% | 0.71 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.1 | -27.7 | -180 | -174.9 | 174.6 | 5.8 | 0 | 0 | 113 | P280 | P280-Q282 PolarHBondContact O-N 3.11Å |
| 283 | F | 77.9 | Confident | 73 | Confident | 22 Ų | 22 | 64.7 Ų | 64.7 | 10% | 0.096 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -102.9 | -24.2 | -171.6 | -66.3 | -93.9 | 0 | 0 | 0 | 113.9 | W232 C265 F267 P280 T281 S285 L286 V287 | W232-F283 AromaticContact CH2-CD2 3.76Å; W232-F283 HydrophobicContact CH2-CD2 3.76Å; W232-F283 HydrophobicContact CH2-CE2 4.01Å; W232-F283 HydrophobicContact CZ3-CB 4.15Å; W232-F283 AromaticContact CZ3-CD2 3.51Å; W232-F283 HydrophobicContact CZ3-CD2 3.51Å; W232-F283 HydrophobicContact CZ3-CE2 4.17Å; W232-F283 AromaticContact CZ3-CG 3.98Å; W232-F283 HydrophobicContact CZ3-CG 3.98Å; C265-F283 HydrophobicContact CB-CE1 3.77Å; C265-F283 HydrophobicContact CB-CZ 4.48Å; C265-F283 WeakPolarHBondContact O-CE1 3.4Å; C265-F283 VanDerWaalsContact O-CZ 3.27Å; C265-F283 WeakPolarHBondContact O-CZ 3.18Å; F267-F283 HydrophobicContact CB-CD1 4.32Å; F267-F283 HydrophobicContact CB-CE1 4.32Å; F267-F283 HydrophobicContact CD2-CB 3.96Å; F267-F283 AromaticContact CD2-CD1 3.76Å; F267-F283 HydrophobicContact CD2-CD1 3.76Å; F267-F283 HydrophobicContact CD2-CE1 4.46Å; F267-F283 AromaticContact CD2-CG 3.91Å; F267-F283 HydrophobicContact CD2-CG 3.91Å; F267-F283 HydrophobicContact CE2-CB 4.07Å; F267-F283 HydrophobicContact CE2-CG 4.49Å; P280-F283 PolarHBondContact O-N 3.4Å; T281-F283 PolarHBondContact O-N 3.07Å; F283-S285 VanDerWaalsContact C-N 3.34Å; F283-S285 PolarHBondContact O-N 2.84Å; F283-L286 WeakPolarHBondContact O-CB 3.13Å; F283-L286 PolarHBondContact O-N 2.82Å; F283-V287 PolarHBondContact O-N 2.93Å |
| 284 | N | 79 | Confident | 74.6 | Confident | 55 Ų | 55 | 58 Ų | 58 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -54.5 | -45.5 | -174.4 | -70.9 | -16.3 | 0 | 0 | 0 | 112.8 | P280 L286 V287 T288 | P280-N284 PolarHBondContact O-OD1 3.15Å; N284-L286 VanDerWaalsContact C-N 3.35Å; N284-L286 PolarHBondContact O-N 3.16Å; N284-V287 PolarHBondContact O-N 2.88Å; N284-T288 PolarHBondContact O-N 3.31Å; N284-T288 PolarHBondContact O-OG1 2.94Å |
| 285 | S | 83.3 | Confident | 76.4 | Confident | 79 Ų | 79 | 53.8 Ų | 53.8 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.4 | -36.5 | 178.3 | -167.6 | 0 | 0 | 0 | 0 | 112.8 | F283 D289 | F283-S285 VanDerWaalsContact C-N 3.34Å; F283-S285 PolarHBondContact O-N 2.84Å; S285-D289 WeakPolarHBondContact O-CB 3.18Å; S285-D289 VanDerWaalsContact O-CG 3.22Å; S285-D289 PolarHBondContact O-N 2.93Å |
| 286 | L | 87.8 | Confident | 78.4 | Confident | 33 Ų | 33 | 45.2 Ų | 45.2 | 17% | 0.173 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.1 | -43.1 | 177.2 | 175.8 | 61.4 | 0 | 0 | 0 | 110.7 | Q17 L262 F283 N284 D289 L290 | Q17-L286 HydrophobicContact CG-CD1 3.89Å; L262-L286 HydrophobicContact CD2-CD2 4.04Å; L262-L286 HydrophobicContact CD2-CG 4.32Å; F283-L286 WeakPolarHBondContact O-CB 3.13Å; F283-L286 PolarHBondContact O-N 2.82Å; N284-L286 VanDerWaalsContact C-N 3.35Å; N284-L286 PolarHBondContact O-N 3.16Å; L286-D289 PolarHBondContact O-N 3.46Å; L286-L290 HydrophobicContact CD1-CD1 3.9Å; L286-L290 HydrophobicContact CD1-CG 4.15Å; L286-L290 HydrophobicContact CG-CD1 3.93Å; L286-L290 WeakPolarHBondContact O-CB 3.27Å; L286-L290 WeakPolarHBondContact O-CD1 3.41Å; L286-L290 WeakPolarHBondContact O-CG 3.47Å; L286-L290 PolarHBondContact O-N 2.79Å |
| 287 | V | 88.5 | Confident | 80.5 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 4% | 0.036 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.7 | -51.3 | 176.7 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | P235 L262 F267 F283 N284 D289 L290 E291 | P235-V287 HydrophobicContact CB-CG1 4.11Å; L262-V287 HydrophobicContact CD2-CG2 4.1Å; F267-V287 HydrophobicContact CE2-CG2 4.12Å; F267-V287 HydrophobicContact CZ-CG2 4.32Å; F283-V287 PolarHBondContact O-N 2.93Å; N284-V287 PolarHBondContact O-N 2.88Å; V287-D289 PolarHBondContact O-N 2.87Å; V287-L290 PolarHBondContact O-N 2.9Å; V287-E291 HydrophobicContact CG1-CG 4.14Å; V287-E291 WeakPolarHBondContact O-CB 3.28Å; V287-E291 VanDerWaalsContact O-CG 3.3Å; V287-E291 WeakPolarHBondContact O-CG 3.48Å; V287-E291 PolarHBondContact O-N 3.15Å |
| 288 | T | 88.3 | Confident | 82.8 | Confident | 75 Ų | 75 | 35.3 Ų | 35.3 | 46% | 0.46 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.9 | -37 | 178.9 | -58.6 | 0 | 0 | 0 | 0 | 113.2 | N284 G292 | N284-T288 PolarHBondContact O-N 3.31Å; N284-T288 PolarHBondContact O-OG1 2.94Å; T288-G292 PolarHBondContact O-N 2.96Å |
| 289 | D | 90.7 | Very high | 84.7 | Confident | 21 Ų | 21 | 31.9 Ų | 31.9 | 11% | 0.112 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.8 | -38.2 | 176 | -77.9 | -16.2 | 0 | 0 | 0 | 112.4 | N14 G15 S16 Q17 S285 L286 V287 L293 | N14-D289 PolarHBondContact ND2-O 3.28Å; G15-D289 WeakPolarHBondContact CA-OD1 3.45Å; S16-D289 VanDerWaalsContact CB-OD2 3.26Å; S16-D289 WeakPolarHBondContact CB-OD2 3.3Å; S16-D289 PolarHBondContact N-OD2 3.43Å; S16-D289 PolarHBondContact OG-OD2 2.83Å; Q17-D289 HydrophobicContact CB-CB 4.29Å; Q17-D289 HydrophobicContact CG-CB 3.86Å; S285-D289 WeakPolarHBondContact O-CB 3.18Å; S285-D289 VanDerWaalsContact O-CG 3.22Å; S285-D289 PolarHBondContact O-N 2.93Å; L286-D289 PolarHBondContact O-N 3.46Å; V287-D289 PolarHBondContact O-N 2.87Å; D289-L293 PolarHBondContact O-N 3.4Å |
| 290 | L | 92.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -72.8 | -42.5 | 175.5 | -67.8 | 168.4 | 0 | 0 | 0 | 112 | Q17 I30 W237 A258 L262 L286 V287 G292 L293 L294 | Q17-L290 HydrophobicContact CG-CD2 4.18Å; Q17-L290 HydrophobicContact CG-CG 4.37Å; I30-L290 HydrophobicContact CD1-CD2 3.8Å; I30-L290 HydrophobicContact CG2-CD2 3.95Å; W237-L290 HydrophobicContact CH2-CB 3.63Å; W237-L290 HydrophobicContact CH2-CD1 4.22Å; W237-L290 HydrophobicContact CZ3-CB 3.93Å; A258-L290 HydrophobicContact CB-CD1 4.35Å; A258-L290 HydrophobicContact CB-CD2 4.2Å; L262-L290 HydrophobicContact CD2-CD1 4.22Å; L262-L290 HydrophobicContact CG-CD1 4.25Å; L286-L290 HydrophobicContact CD1-CD1 3.9Å; L286-L290 HydrophobicContact CD1-CG 4.15Å; L286-L290 HydrophobicContact CG-CD1 3.93Å; L286-L290 WeakPolarHBondContact O-CB 3.27Å; L286-L290 WeakPolarHBondContact O-CD1 3.41Å; L286-L290 WeakPolarHBondContact O-CG 3.47Å; L286-L290 PolarHBondContact O-N 2.79Å; V287-L290 PolarHBondContact O-N 2.9Å; L290-G292 VanDerWaalsContact C-N 3.28Å; L290-G292 PolarHBondContact O-N 3.34Å; L290-L293 WeakPolarHBondContact O-CB 3.31Å; L290-L293 PolarHBondContact O-N 3.14Å; L290-L294 WeakPolarHBondContact O-CB 3.18Å; L290-L294 WeakPolarHBondContact O-CG 3.4Å; L290-L294 PolarHBondContact O-N 3.15Å |
| 291 | E | 91.7 | Very high | 88.2 | Confident | 21 Ų | 21 | 26.9 Ų | 26.9 | 10% | 0.098 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.9 | -40.8 | 176.3 | -75.2 | 176.2 | 149.2 | 0 | 0 | 111 | G183 G184 P235 V236 W237 V287 L293 L294 M295 | G183-E291 CarbonylContact O-C 3.59Å; G183-E291 WeakPolarHBondContact O-CB 3.39Å; G184-E291 VanDerWaalsContact CA-O 3.3Å; G184-E291 WeakPolarHBondContact CA-O 3.38Å; P235-E291 VanDerWaalsContact CA-OE1 3.31Å; P235-E291 WeakPolarHBondContact CA-OE1 3.32Å; V236-E291 HydrophobicContact CB-CG 4.49Å; V236-E291 WeakPolarHBondContact CG2-OE1 3.19Å; V236-E291 PolarHBondContact N-OE1 3.25Å; W237-E291 HydrophobicContact CE3-CG 4.35Å; W237-E291 HydrophobicContact CZ3-CG 3.85Å; V287-E291 HydrophobicContact CG1-CG 4.14Å; V287-E291 WeakPolarHBondContact O-CB 3.28Å; V287-E291 VanDerWaalsContact O-CG 3.3Å; V287-E291 WeakPolarHBondContact O-CG 3.48Å; V287-E291 PolarHBondContact O-N 3.15Å; E291-L293 VanDerWaalsContact C-N 3.32Å; E291-L293 PolarHBondContact O-N 2.99Å; E291-L294 CarbonylContact O-C 3.52Å; E291-L294 PolarHBondContact O-N 3.44Å; E291-M295 PolarHBondContact O-N 3.38Å; E291-M295 VanDerWaalsContact O-N 3.11Å |
| 292 | G | 90.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.1 | -34.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114 | M1 G183 T288 L290 M295 | M1-G292 WeakPolarHBondContact CE-O 3.45Å; G183-G292 PolarHBondContact O-N 2.99Å; T288-G292 PolarHBondContact O-N 2.96Å; L290-G292 VanDerWaalsContact C-N 3.28Å; L290-G292 PolarHBondContact O-N 3.34Å; G292-M295 WeakPolarHBondContact O-CE 3.36Å |
| 293 | L | 92.4 | Very high | 91 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -76.1 | -30.3 | 174.1 | -70.4 | 172.4 | 0 | 0 | 0 | 113.1 | M1 I12 N14 Q17 L19 D289 L290 E291 | M1-L293 HydrophobicContact CG-CD2 4.44Å; I12-L293 HydrophobicContact CG2-CD2 4.18Å; N14-L293 HydrophobicContact CB-CD1 4.43Å; N14-L293 HydrophobicContact CB-CD2 3.59Å; N14-L293 HydrophobicContact CB-CG 3.7Å; Q17-L293 HydrophobicContact CB-CD1 3.78Å; L19-L293 HydrophobicContact CB-CD1 4.48Å; L19-L293 HydrophobicContact CB-CD2 4.18Å; D289-L293 PolarHBondContact O-N 3.4Å; L290-L293 WeakPolarHBondContact O-CB 3.31Å; L290-L293 PolarHBondContact O-N 3.14Å; E291-L293 VanDerWaalsContact C-N 3.32Å; E291-L293 PolarHBondContact O-N 2.99Å |
| 294 | L | 94 | Very high | 91.8 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -115.8 | 33.8 | -168.5 | -57.5 | 179.3 | 0 | 0 | 0 | 112.9 | I30 W237 I251 P254 I255 A258 L290 E291 | I30-L294 HydrophobicContact CD1-CD1 4.26Å; W237-L294 HydrophobicContact CE3-CB 4.09Å; W237-L294 HydrophobicContact CE3-CD1 4.11Å; W237-L294 HydrophobicContact CH2-CD1 4.27Å; W237-L294 HydrophobicContact CZ3-CB 4.33Å; W237-L294 HydrophobicContact CZ3-CD1 4Å; I251-L294 HydrophobicContact CD1-CB 4.33Å; I251-L294 HydrophobicContact CD1-CD2 4.48Å; P254-L294 HydrophobicContact CB-CD2 3.93Å; P254-L294 HydrophobicContact CG-CD2 3.88Å; I255-L294 HydrophobicContact CG1-CB 4.47Å; I255-L294 HydrophobicContact CG1-CD1 4.11Å; I255-L294 HydrophobicContact CG1-CD2 4.39Å; A258-L294 HydrophobicContact CB-CD1 3.63Å; L290-L294 WeakPolarHBondContact O-CB 3.18Å; L290-L294 WeakPolarHBondContact O-CG 3.4Å; L290-L294 PolarHBondContact O-N 3.15Å; E291-L294 CarbonylContact O-C 3.52Å; E291-L294 PolarHBondContact O-N 3.44Å |
| 295 | M | 93.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -54.7 | 133.6 | -176 | 62.7 | -177.3 | 60.3 | 0 | 0 | 113.4 | M1 G50 I68 F180 N247 E291 G292 | M1-M295 HydrophobicContact CE-CE 3.83Å; G50-M295 VanDerWaalsContact CA-CE 3.49Å; I68-M295 HydrophobicContact CD1-SD 4.1Å; F180-M295 HydrophobicContact CB-SD 4.25Å; F180-M295 HydrophobicContact CD2-CE 4.11Å; F180-M295 HydrophobicContact CD2-SD 3.37Å; F180-M295 WeakPolarHBondContact CD2-SD 3.39Å; F180-M295 HydrophobicContact CE2-CE 4.26Å; F180-M295 HydrophobicContact CE2-SD 3.89Å; F180-M295 HydrophobicContact CG-SD 3.96Å; N247-M295 PolarHBondContact ND2-O 2.99Å; E291-M295 PolarHBondContact O-N 3.38Å; E291-M295 VanDerWaalsContact O-N 3.11Å; G292-M295 WeakPolarHBondContact O-CE 3.36Å | ||
| 296 | P | 95.7 | Very high | 92.9 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.013 | 9% | 0.086 | C | C | . | . | trans | -67.7 | 134 | 164.6 | -17.3 | 30.6 | 0 | 0 | 0 | 111.1 | T188 V236 F245 | T188-P296 HydrophobicContact CG2-CB 3.98Å; V236-P296 HydrophobicContact CG1-CG 3.52Å; F245-P296 HydrophobicContact CD2-CB 3.92Å; F245-P296 HydrophobicContact CE1-CG 4.42Å; F245-P296 HydrophobicContact CE2-CB 3.93Å; F245-P296 HydrophobicContact CE2-CG 4.28Å; F245-P296 HydrophobicContact CG-CB 4.32Å; F245-P296 HydrophobicContact CZ-CB 4.3Å; F245-P296 HydrophobicContact CZ-CG 4.16Å | ||
| 297 | I | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 136.6 | 169.1 | -59.8 | 172.4 | 0 | 0 | 0 | 107.5 | I52 I68 I86 F178 Y179 F180 W246 N247 | I52-I297 HydrophobicContact CB-CD1 4.18Å; I52-I297 HydrophobicContact CG1-CD1 3.93Å; I52-I297 HydrophobicContact CG2-CD1 4.08Å; I68-I297 HydrophobicContact CD1-CD1 4.31Å; I86-I297 HydrophobicContact CD1-CD1 4.33Å; I86-I297 HydrophobicContact CD1-CG2 4.31Å; F178-I297 HydrophobicContact CB-CG2 4.17Å; F178-I297 HydrophobicContact CD1-CG2 4.03Å; Y179-I297 WeakPolarHBondContact O-CA 3.3Å; F180-I297 HydrophobicContact CB-CG1 4.27Å; W246-I297 VanDerWaalsContact CB-O 3.27Å; W246-I297 WeakPolarHBondContact CB-O 3.44Å; W246-I297 HydrophobicContact CE3-CB 4.35Å; W246-I297 HydrophobicContact CE3-CG2 4.05Å; W246-I297 PolarHBondContact N-O 2.81Å; N247-I297 HydrophobicContact CB-CB 4.31Å; N247-I297 HydrophobicContact CB-CD1 4.16Å; N247-I297 HydrophobicContact CB-CG1 4.46Å; N247-I297 PolarHBondContact OD1-N 2.73Å |
| 298 | V | 96 | Very high | 92.9 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.006 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 136.7 | 179.8 | -175.2 | 0 | 0 | 0 | 0 | 110.2 | F178 Y179 L187 T188 F244 R522 | F178-V298 WeakPolarHBondContact CA-O 3.49Å; Y179-V298 PolarHBondContact N-O 3.35Å; Y179-V298 PolarHBondContact O-N 3.23Å; L187-V298 HydrophobicContact CB-CG2 4Å; T188-V298 HydrophobicContact CG2-CG2 3.87Å; F244-V298 HydrophobicContact CB-CG1 4.36Å; V298-R522 HydrophobicContact CG1-CB 4.08Å; V298-R522 HydrophobicContact CG1-CG 3.85Å |
| 299 | Q | 94.9 | Very high | 92.7 | Very high | 20 Ų | 20 | 12.6 Ų | 12.6 | 9% | 0.093 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 132.6 | 173.8 | 178.6 | 169.5 | 95.4 | 0 | 0 | 111.1 | Y177 F178 R523 I760 | Y177-Q299 CarbonylContact O-C 3.47Å; Y177-Q299 VanDerWaalsContact O-CA 3.32Å; Y177-Q299 WeakPolarHBondContact O-CA 3.45Å; F178-Q299 HydrophobicContact CD1-CB 4.08Å; F178-Q299 HydrophobicContact CE1-CB 3.87Å; F178-Q299 HydrophobicContact CE1-CG 4.13Å; F178-Q299 VanDerWaalsContact CE1-NE2 3.27Å; Q299-R523 PolarHBondContact O-N 3.34Å; Q299-I760 HydrophobicContact CG-CD1 4.02Å; Q299-I760 HydrophobicContact CG-CG2 4.33Å; Q299-I760 VanDerWaalsContact OE1-CG2 3.28Å |
| 300 | G | 93.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.4 | -128.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y177 S521 | Y177-G300 WeakPolarHBondContact CB-O 3.3Å; Y177-G300 PolarHBondContact O-N 3.18Å; G300-S521 WeakPolarHBondContact CA-O 3.25Å |
| 301 | Y | 94.4 | Very high | 90.9 | Very high | 6 Ų | 6 | 16.7 Ų | 16.7 | 2% | 0.024 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 136 | -179.7 | -179.6 | -108.5 | 0 | 0 | 0 | 110.7 | H303 S521 T752 N753 A756 | Y301-H303 HydrophobicContact CE1-CB 3.61Å; Y301-H303 WeakPolarHBondContact OH-CB 3.37Å; Y301-H303 PolarHBondContact OH-ND1 3.39Å; Y301-S521 PolarHBondContact N-O 3.05Å; Y301-S521 PolarHBondContact O-N 3.38Å; Y301-T752 HydrophobicContact CE2-CG2 4.22Å; Y301-T752 VanDerWaalsContact OH-CG2 3.29Å; Y301-T752 WeakPolarHBondContact OH-CG2 3.46Å; Y301-N753 VanDerWaalsContact CD1-CA 3.45Å; Y301-N753 HydrophobicContact CD1-CB 3.61Å; Y301-N753 HydrophobicContact CE1-CB 3.84Å; Y301-A756 HydrophobicContact CD2-CB 3.48Å; Y301-A756 VanDerWaalsContact CD2-CB 3.48Å; Y301-A756 HydrophobicContact CE2-CB 4.21Å; Y301-A756 HydrophobicContact CG-CB 3.76Å |
| 302 | V | 95.6 | Very high | 89.4 | Confident | 3 Ų | 3 | 19.6 Ų | 19.6 | 2% | 0.018 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 132.3 | 173.8 | -164.7 | 0 | 0 | 0 | 0 | 109.1 | V83 Y179 F304 I518 I519 F520 | V83-V302 HydrophobicContact CG1-CB 4.28Å; V83-V302 HydrophobicContact CG1-CG1 4.2Å; V83-V302 HydrophobicContact CG1-CG2 4.2Å; Y179-V302 HydrophobicContact CD1-CB 3.98Å; Y179-V302 HydrophobicContact CD1-CG2 3.73Å; Y179-V302 HydrophobicContact CD2-CG2 4.08Å; Y179-V302 HydrophobicContact CE1-CB 3.67Å; Y179-V302 HydrophobicContact CE1-CG2 3.83Å; Y179-V302 HydrophobicContact CE2-CG2 4.22Å; Y179-V302 HydrophobicContact CG-CG2 3.83Å; Y179-V302 VanDerWaalsContact CZ-N 3.27Å; Y179-V302 PolarHBondContact OH-N 3.41Å; Y179-V302 PolarHBondContact OH-O 3.03Å; V302-F304 HydrophobicContact CG1-CD2 4.33Å; V302-F304 HydrophobicContact CG1-CE2 3.69Å; V302-F304 HydrophobicContact CG1-CZ 4.39Å; V302-I518 HydrophobicContact CG1-CG2 4.41Å; V302-I519 WeakPolarHBondContact CA-O 3.26Å; V302-F520 HydrophobicContact CB-CD2 4.43Å; V302-F520 HydrophobicContact CG1-CD2 3.71Å; V302-F520 HydrophobicContact CG1-CE2 4.04Å; V302-F520 HydrophobicContact CG1-CG 4.13Å; V302-F520 HydrophobicContact CG2-CD1 3.73Å; V302-F520 HydrophobicContact CG2-CD2 3.82Å; V302-F520 HydrophobicContact CG2-CE1 3.54Å; V302-F520 HydrophobicContact CG2-CE2 3.65Å; V302-F520 HydrophobicContact CG2-CG 3.85Å; V302-F520 HydrophobicContact CG2-CZ 3.49Å; V302-F520 VanDerWaalsContact CG2-CZ 3.49Å |
| 303 | H | 94.3 | Very high | 87.7 | Confident | 53 Ų | 53 | 29.2 Ų | 29.2 | 25% | 0.245 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 140.1 | 178.3 | -168.3 | 94.1 | 0 | 0 | 0 | 111.1 | Y301 E305 I518 I519 | Y301-H303 HydrophobicContact CE1-CB 3.61Å; Y301-H303 WeakPolarHBondContact OH-CB 3.37Å; Y301-H303 PolarHBondContact OH-ND1 3.39Å; H303-E305 IonicContact CD2-OE1 3.02Å; H303-E305 IonicContact CE1-OE1 2.66Å; H303-E305 IonicContact NE2-OE1 3.26Å; H303-E305 PolarHBondContact NE2-OE1 3.39Å; H303-I518 WeakPolarHBondContact O-CA 3.28Å; H303-I518 WeakPolarHBondContact O-CG2 3.47Å; H303-I519 PolarHBondContact N-O 2.81Å; H303-I519 PolarHBondContact O-N 3.07Å |
| 304 | F | 95.1 | Very high | 86.3 | Confident | 34 Ų | 34 | 31.6 Ų | 31.6 | 15% | 0.149 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 134.7 | -179.6 | -63.3 | -112.1 | 0 | 0 | 0 | 108.6 | V74 I76 L77 V83 V302 T516 I518 | V74-F304 HydrophobicContact CB-CE2 4.42Å; V74-F304 HydrophobicContact CG1-CD2 4.02Å; V74-F304 HydrophobicContact CG1-CE2 4.06Å; I76-F304 VanDerWaalsContact O-CE1 3.31Å; I76-F304 WeakPolarHBondContact O-CE1 3.37Å; L77-F304 HydrophobicContact CD2-CE1 4.22Å; L77-F304 HydrophobicContact CD2-CZ 3.96Å; L77-F304 HydrophobicContact CG-CZ 4.41Å; V83-F304 HydrophobicContact CB-CE2 4.41Å; V83-F304 HydrophobicContact CB-CZ 4.47Å; V83-F304 HydrophobicContact CG2-CZ 4.28Å; V302-F304 HydrophobicContact CG1-CD2 4.33Å; V302-F304 HydrophobicContact CG1-CE2 3.69Å; V302-F304 HydrophobicContact CG1-CZ 4.39Å; F304-T516 HydrophobicContact CD1-CG2 4.36Å; F304-I518 HydrophobicContact CD1-CB 4.31Å; F304-I518 HydrophobicContact CD1-CD1 3.8Å; F304-I518 HydrophobicContact CD1-CG1 3.67Å; F304-I518 HydrophobicContact CD1-CG2 3.78Å; F304-I518 HydrophobicContact CD2-CG2 4.12Å; F304-I518 HydrophobicContact CE1-CD1 3.58Å; F304-I518 HydrophobicContact CE1-CG1 3.94Å; F304-I518 HydrophobicContact CE1-CG2 3.76Å; F304-I518 HydrophobicContact CE2-CG2 4.1Å; F304-I518 HydrophobicContact CG-CG1 4.42Å; F304-I518 HydrophobicContact CG-CG2 3.96Å; F304-I518 HydrophobicContact CZ-CG2 3.92Å |
| 305 | E | 94 | Very high | 84.8 | Confident | 48 Ų | 48 | 38.3 Ų | 38.3 | 22% | 0.224 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 142.7 | 166.5 | -71.3 | -67.4 | 168.4 | 0 | 0 | 109.3 | H303 F307 T516 V517 T745 M749 | H303-E305 IonicContact CD2-OE1 3.02Å; H303-E305 IonicContact CE1-OE1 2.66Å; H303-E305 IonicContact NE2-OE1 3.26Å; H303-E305 PolarHBondContact NE2-OE1 3.39Å; E305-F307 HydrophobicContact CB-CE2 3.76Å; E305-F307 HydrophobicContact CB-CZ 4.05Å; E305-T516 WeakPolarHBondContact O-CA 3.33Å; E305-V517 PolarHBondContact N-O 3.28Å; E305-V517 PolarHBondContact O-N 3.05Å; E305-T745 HydrophobicContact CB-CG2 4.13Å; E305-T745 HydrophobicContact CG-CG2 3.71Å; E305-M749 HydrophobicContact CB-CE 4.02Å; E305-M749 HydrophobicContact CB-SD 3.85Å; E305-M749 HydrophobicContact CG-CE 3.92Å; E305-M749 HydrophobicContact CG-CG 3.74Å; E305-M749 HydrophobicContact CG-SD 3.57Å; E305-M749 VanDerWaalsContact CG-SD 3.57Å |
| 306 | E | 91.6 | Very high | 83.7 | Confident | 32 Ų | 32 | 39.8 Ų | 39.8 | 15% | 0.15 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 129.9 | -179.2 | -175.7 | -178.5 | 167.3 | 0 | 0 | 109.4 | V321 K323 H514 | E306-V321 HydrophobicContact CB-CB 4.09Å; E306-V321 HydrophobicContact CB-CG2 4.32Å; E306-V321 HydrophobicContact CG-CB 4.17Å; E306-V321 HydrophobicContact CG-CG2 3.92Å; E306-V321 WeakPolarHBondContact O-CB 3.16Å; E306-V321 PolarHBondContact O-N 3.08Å; E306-K323 WeakPolarHBondContact OE2-CE 3.47Å; E306-K323 IonicContact OE2-NZ 3.95Å; E306-K323 PolarHBondContact OE2-NZ 3.08Å; E306-H514 IonicContact OE1-CE1 2.72Å; E306-H514 IonicContact OE1-CG 3.68Å; E306-H514 IonicContact OE1-ND1 2.92Å; E306-H514 PolarHBondContact OE1-ND1 3.32Å |
| 307 | F | 90 | Very high | 82.4 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 135.5 | -177.5 | -57.3 | -94.1 | 0 | 0 | 0 | 108.5 | E305 V318 V320 V515 V517 F742 T745 V746 | E305-F307 HydrophobicContact CB-CE2 3.76Å; E305-F307 HydrophobicContact CB-CZ 4.05Å; F307-V318 HydrophobicContact CB-CG1 4.16Å; F307-V318 HydrophobicContact CD1-CG1 3.75Å; F307-V318 HydrophobicContact CG-CG1 4.41Å; F307-V320 HydrophobicContact CD1-CG2 3.83Å; F307-V320 HydrophobicContact CE1-CG2 3.77Å; F307-V515 PolarHBondContact N-O 2.66Å; F307-V515 PolarHBondContact O-N 3.23Å; F307-V517 HydrophobicContact CD2-CG2 3.9Å; F307-V517 HydrophobicContact CE2-CB 3.96Å; F307-V517 HydrophobicContact CE2-CG2 3.54Å; F307-F742 HydrophobicContact CB-CD2 4.22Å; F307-F742 HydrophobicContact CB-CE2 4.26Å; F307-F742 AromaticContact CD1-CD2 3.49Å; F307-F742 HydrophobicContact CD1-CD2 3.49Å; F307-F742 VanDerWaalsContact CD1-CD2 3.49Å; F307-F742 HydrophobicContact CD1-CE2 4.03Å; F307-F742 HydrophobicContact CD1-CG 4.28Å; F307-F742 HydrophobicContact CD2-CD2 4.02Å; F307-F742 AromaticContact CD2-CE2 3.66Å; F307-F742 HydrophobicContact CD2-CE2 3.66Å; F307-F742 HydrophobicContact CE1-CB 4.36Å; F307-F742 AromaticContact CE1-CD2 3.7Å; F307-F742 HydrophobicContact CE1-CD2 3.7Å; F307-F742 HydrophobicContact CE1-CE2 4.24Å; F307-F742 HydrophobicContact CE1-CG 4.13Å; F307-F742 HydrophobicContact CE2-CD2 4.22Å; F307-F742 AromaticContact CE2-CE2 3.91Å; F307-F742 HydrophobicContact CE2-CE2 3.91Å; F307-F742 HydrophobicContact CE2-CZ 4.43Å; F307-F742 AromaticContact CG-CD2 3.65Å; F307-F742 HydrophobicContact CG-CD2 3.65Å; F307-F742 AromaticContact CG-CE2 3.72Å; F307-F742 HydrophobicContact CG-CE2 3.72Å; F307-F742 HydrophobicContact CZ-CD2 4.06Å; F307-F742 HydrophobicContact CZ-CE2 4.17Å; F307-F742 HydrophobicContact CZ-CG 4.49Å; F307-T745 HydrophobicContact CE1-CG2 3.83Å; F307-T745 HydrophobicContact CZ-CG2 3.53Å; F307-V746 HydrophobicContact CZ-CG2 4.44Å |
| 308 | V | 86 | Confident | 81.5 | Confident | 10 Ų | 10 | 45 Ų | 45 | 6% | 0.061 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 123.9 | 161.7 | -170.3 | 0 | 0 | 0 | 0 | 108.2 | V318 N319 V321 M512 E513 | V308-V318 WeakPolarHBondContact O-CA 3.36Å; V308-N319 HydrophobicContact CB-CB 4.47Å; V308-N319 PolarHBondContact N-O 3.18Å; V308-N319 PolarHBondContact O-N 3Å; V308-V321 HydrophobicContact CG2-CG2 3.63Å; V308-M512 HydrophobicContact CG1-CB 4.09Å; V308-M512 HydrophobicContact CG1-CE 3.74Å; V308-M512 HydrophobicContact CG1-CG 4.47Å; V308-M512 HydrophobicContact CG1-SD 3.55Å; V308-M512 VanDerWaalsContact CG1-SD 3.55Å; V308-E513 WeakPolarHBondContact CA-O 3.25Å |
| 309 | L | 82.8 | Confident | 80.5 | Confident | 12 Ų | 12 | 48.9 Ų | 48.9 | 6% | 0.063 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 123.2 | 173 | -56.6 | -173.1 | 0 | 0 | 0 | 108.3 | L316 V318 E513 V515 L726 L731 F742 | L309-L316 HydrophobicContact CB-CD1 4.16Å; L309-V318 HydrophobicContact CD2-CB 4.34Å; L309-V318 HydrophobicContact CD2-CG1 4.02Å; L309-V318 HydrophobicContact CD2-CG2 3.6Å; L309-E513 PolarHBondContact N-O 3.49Å; L309-E513 PolarHBondContact O-N 3.03Å; L309-V515 HydrophobicContact CD1-CB 4.49Å; L309-V515 HydrophobicContact CD1-CG2 3.67Å; L309-V515 HydrophobicContact CG-CG2 3.97Å; L309-L726 HydrophobicContact CD1-CD2 4.49Å; L309-L731 HydrophobicContact CD1-CB 3.96Å; L309-L731 HydrophobicContact CD1-CD1 3.93Å; L309-F742 HydrophobicContact CD2-CD2 4.5Å |
| 310 | D | 75.3 | Confident | 79.5 | Confident | 24 Ų | 24 | 48.9 Ų | 48.9 | 13% | 0.128 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 133.3 | -179.7 | -169.5 | 4.9 | 0 | 0 | 0 | 110 | L312 L316 Q317 M512 | D310-L312 WeakPolarHBondContact OD2-CD1 3.4Å; D310-L312 WeakPolarHBondContact OD2-CD2 3.35Å; D310-L312 VanDerWaalsContact OD2-CG 3.24Å; D310-L312 WeakPolarHBondContact OD2-CG 3.4Å; D310-L316 CarbonylContact O-C 3.2Å; D310-L316 WeakPolarHBondContact O-CA 3.46Å; D310-Q317 PolarHBondContact N-O 2.96Å; D310-Q317 PolarHBondContact O-N 3.36Å; D310-M512 HydrophobicContact CB-SD 3.64Å; D310-M512 VanDerWaalsContact CG-SD 3.55Å |
| 311 | R | 70.2 | Confident | 78.6 | Confident | 83 Ų | 83 | 51 Ų | 51 | 31% | 0.313 | 26% | 0.26 | S | S | . | . | trans | -107.5 | 49.5 | -171.5 | -165.9 | 168.1 | -82.9 | -83.2 | 3 | 111.8 | Q313 H315 L731 E736 | R311-Q313 PolarHBondContact O-N 3.11Å; R311-H315 CarbonylContact C-O 3.57Å; R311-L731 PolarHBondContact NH2-O 3.22Å; R311-E736 IonicContact CZ-OE1 3.62Å; R311-E736 IonicContact CZ-OE2 3.55Å; R311-E736 IonicContact NH1-OE1 3.54Å; R311-E736 PolarHBondContact NH1-OE1 3.37Å; R311-E736 IonicContact NH1-OE2 2.61Å; R311-E736 PolarHBondContact NH1-OE2 3.15Å; R311-E736 IonicContact NH2-OE1 3.58Å; R311-E736 IonicContact NH2-OE2 2.74Å; R311-E736 PolarHBondContact NH2-OE2 2.97Å | ||
| 312 | L | 61 | Low | 76.7 | Confident | 81 Ų | 81 | 58.1 Ų | 58.1 | 42% | 0.424 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -62.2 | 124.2 | 179.4 | -61.9 | 179.4 | 0 | 0 | 0 | 111.8 | D310 G314 H315 | D310-L312 WeakPolarHBondContact OD2-CD1 3.4Å; D310-L312 WeakPolarHBondContact OD2-CD2 3.35Å; D310-L312 VanDerWaalsContact OD2-CG 3.24Å; D310-L312 WeakPolarHBondContact OD2-CG 3.4Å; L312-G314 PolarHBondContact O-N 2.9Å; L312-G314 VanDerWaalsContact O-N 3.09Å; L312-H315 PolarHBondContact N-O 3.11Å; L312-H315 PolarHBondContact O-N 2.77Å |
| 313 | Q | 55.6 | Low | 74.2 | Confident | 202 Ų | 202 | 64.5 Ų | 64.5 | 94% | 0.944 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | 54.9 | 28.8 | 173.8 | -57.5 | -179.4 | -13.5 | 0 | 0 | 114.1 | R311 H315 | R311-Q313 PolarHBondContact O-N 3.11Å; Q313-H315 VanDerWaalsContact C-N 3.31Å; Q313-H315 PolarHBondContact O-N 3.47Å |
| 314 | G | 61.6 | Low | 71.1 | Confident | 50 Ų | 50 | 67.4 Ų | 67.4 | 52% | 0.515 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | 85.7 | -8.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L312 | L312-G314 PolarHBondContact O-N 2.9Å; L312-G314 VanDerWaalsContact O-N 3.09Å |
| 315 | H | 63 | Low | 67.9 | Low | 144 Ų | 144 | 75.9 Ų | 75.9 | 67% | 0.667 | 38% | 0.377 | S | S | * | . | trans | -95.5 | 131 | 173.4 | -70.8 | -54.8 | 0 | 0 | 0 | 111.2 | R311 L312 Q313 Q317 | R311-H315 CarbonylContact C-O 3.57Å; L312-H315 PolarHBondContact N-O 3.11Å; L312-H315 PolarHBondContact O-N 2.77Å; Q313-H315 VanDerWaalsContact C-N 3.31Å; Q313-H315 PolarHBondContact O-N 3.47Å; H315-Q317 PolarHBondContact O-N 2.69Å; H315-Q317 VanDerWaalsContact O-N 3.16Å | ||
| 316 | L | 69.8 | Low | 64.6 | Low | 30 Ų | 30 | 81.2 Ų | 81.2 | 16% | 0.157 | 40% | 0.402 | C | S | . | . | trans | -77 | 98.1 | 173.8 | -168.9 | 66.9 | 0 | 0 | 0 | 110.3 | L309 D310 L732 P739 | L309-L316 HydrophobicContact CB-CD1 4.16Å; D310-L316 CarbonylContact O-C 3.2Å; D310-L316 WeakPolarHBondContact O-CA 3.46Å; L316-L732 HydrophobicContact CD2-CD1 3.81Å; L316-P739 HydrophobicContact CD2-CG 3.99Å; L316-P739 HydrophobicContact CG-CG 4.33Å | ||
| 317 | Q | 69.9 | Low | 61.5 | Low | 96 Ų | 96 | 89 Ų | 89 | 45% | 0.449 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 147.5 | 167.4 | -59.5 | -164.9 | 17 | 0 | 0 | 110 | D310 H315 | D310-Q317 PolarHBondContact N-O 2.96Å; D310-Q317 PolarHBondContact O-N 3.36Å; H315-Q317 PolarHBondContact O-N 2.69Å; H315-Q317 VanDerWaalsContact O-N 3.16Å |
| 318 | V | 76 | Confident | 58.5 | Low | 15 Ų | 15 | 95.9 Ų | 95.9 | 9% | 0.091 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 115.6 | 177.9 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | F307 V308 L309 P739 F742 | F307-V318 HydrophobicContact CB-CG1 4.16Å; F307-V318 HydrophobicContact CD1-CG1 3.75Å; F307-V318 HydrophobicContact CG-CG1 4.41Å; V308-V318 WeakPolarHBondContact O-CA 3.36Å; L309-V318 HydrophobicContact CD2-CB 4.34Å; L309-V318 HydrophobicContact CD2-CG1 4.02Å; L309-V318 HydrophobicContact CD2-CG2 3.6Å; V318-P739 HydrophobicContact CB-CB 4.37Å; V318-P739 HydrophobicContact CG2-CB 3.53Å; V318-P739 HydrophobicContact CG2-CG 3.56Å; V318-F742 HydrophobicContact CG1-CB 4.2Å; V318-F742 HydrophobicContact CG1-CD2 4.24Å; V318-F742 HydrophobicContact CG2-CB 4.49Å |
| 319 | N | 76.6 | Confident | 55.6 | Low | 84 Ų | 84 | 104.7 Ų | 104.7 | 45% | 0.449 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 111 | 173.4 | -69.4 | -61.7 | 0 | 0 | 0 | 108.9 | V308 V321 | V308-N319 HydrophobicContact CB-CB 4.47Å; V308-N319 PolarHBondContact N-O 3.18Å; V308-N319 PolarHBondContact O-N 3Å; N319-V321 PolarHBondContact O-N 2.81Å |
| 320 | V | 73.8 | Confident | 52.9 | Low | 19 Ų | 19 | 112.9 Ų | 112.9 | 12% | 0.115 | 55% | 0.546 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 120.8 | 169.4 | 177.2 | 0 | 0 | 0 | 0 | 108.1 | F307 K322 E741 | F307-V320 HydrophobicContact CD1-CG2 3.83Å; F307-V320 HydrophobicContact CE1-CG2 3.77Å; V320-K322 HydrophobicContact CG1-CG 4.36Å; V320-K322 PolarHBondContact O-N 3.18Å; V320-E741 HydrophobicContact CG2-CG 3.76Å |
| 321 | V | 73 | Confident | 50.6 | Low | 45 Ų | 45 | 117.6 Ų | 117.6 | 27% | 0.273 | 58% | 0.581 | S | S | . | * | trans | -72.7 | 81.7 | 177 | -173.4 | 0 | 0 | 0 | 0 | 108.6 | E306 V308 N319 K323 | E306-V321 HydrophobicContact CB-CB 4.09Å; E306-V321 HydrophobicContact CB-CG2 4.32Å; E306-V321 HydrophobicContact CG-CB 4.17Å; E306-V321 HydrophobicContact CG-CG2 3.92Å; E306-V321 WeakPolarHBondContact O-CB 3.16Å; E306-V321 PolarHBondContact O-N 3.08Å; V308-V321 HydrophobicContact CG2-CG2 3.63Å; N319-V321 PolarHBondContact O-N 2.81Å; V321-K323 HydrophobicContact CG1-CG 4.29Å; V321-K323 PolarHBondContact O-N 2.96Å | ||
| 322 | K | 55 | Low | 48.6 | Very low | 155 Ų | 155 | 121.5 Ų | 121.5 | 67% | 0.674 | 61% | 0.609 | S | S | * | * | trans | -64.4 | 86.9 | 171.7 | -72.3 | 166.7 | -174.5 | 128.8 | 0 | 108.4 | V320 T324 E741 | V320-K322 HydrophobicContact CG1-CG 4.36Å; V320-K322 PolarHBondContact O-N 3.18Å; K322-T324 VanDerWaalsContact C-N 3.31Å; K322-T324 PolarHBondContact O-N 2.98Å; K322-E741 IonicContact NZ-OE1 3.97Å; K322-E741 PolarHBondContact NZ-OE1 2.72Å | ||
| 323 | K | 44.6 | Very low | 47.1 | Very low | 137 Ų | 137 | 123 Ų | 123 | 60% | 0.596 | 63% | 0.626 | S | S | * | * | trans | -57.8 | 95.8 | 170.4 | -75 | 173.8 | -179.7 | 164.3 | 0 | 108.4 | E306 V321 | E306-K323 WeakPolarHBondContact OE2-CE 3.47Å; E306-K323 IonicContact OE2-NZ 3.95Å; E306-K323 PolarHBondContact OE2-NZ 3.08Å; V321-K323 HydrophobicContact CG1-CG 4.29Å; V321-K323 PolarHBondContact O-N 2.96Å | ||
| 324 | T | 27.7 | Very low | 45.9 | Very low | 114 Ų | 114 | 119.7 Ų | 119.7 | 70% | 0.699 | 61% | 0.614 | S | S | * | * | trans | -51.6 | 142.7 | 165.2 | 35.1 | 0 | 0 | 0 | 0 | 108.1 | K322 E326 | K322-T324 VanDerWaalsContact C-N 3.31Å; K322-T324 PolarHBondContact O-N 2.98Å; T324-E326 PolarHBondContact O-N 3.35Å | ||
| 325 | K | 28.9 | Very low | 44.3 | Very low | 212 Ų | 212 | 123 Ų | 123 | 92% | 0.922 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -79.2 | 60.9 | -171.5 | -72.9 | -176 | 174.3 | 176.3 | 0 | 112 | ||
| 326 | E | 23.9 | Very low | 42.7 | Very low | 161 Ų | 161 | 121.5 Ų | 121.5 | 75% | 0.752 | 63% | 0.633 | S | S | * | * | trans | -134.5 | 49.8 | 179.1 | -64 | -166.6 | 136.1 | 0 | 0 | 111.3 | T324 I328 | T324-E326 PolarHBondContact O-N 3.35Å; E326-I328 PolarHBondContact O-N 3.32Å | ||
| 327 | F | 27.3 | Very low | 40.6 | Very low | 195 Ų | 195 | 127.3 Ų | 127.3 | 86% | 0.855 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -69.9 | 119.7 | 146 | -101.3 | -86.2 | 0 | 0 | 0 | 107.1 | E329 | F327-E329 PolarHBondContact O-N 3.4Å; F327-E329 VanDerWaalsContact O-N 3.16Å |
| 328 | I | 27.4 | Very low | 38.6 | Very low | 144 Ų | 144 | 130.6 Ų | 130.6 | 74% | 0.738 | 68% | 0.682 | S | S | * | * | trans | -72.4 | 107.5 | -156.3 | -63.1 | 168.2 | 0 | 0 | 0 | 111.9 | E326 K330 | E326-I328 PolarHBondContact O-N 3.32Å; I328-K330 HydrophobicContact CG2-CB 3.92Å; I328-K330 PolarHBondContact O-N 2.8Å | ||
| 329 | E | 25 | Very low | 36.3 | Very low | 196 Ų | 196 | 133.1 Ų | 133.1 | 92% | 0.916 | 71% | 0.712 | S | S | * | * | trans | -71.9 | 68.4 | 164.6 | -72.4 | -167.8 | 150.1 | 0 | 0 | 110.9 | F327 | F327-E329 PolarHBondContact O-N 3.4Å; F327-E329 VanDerWaalsContact O-N 3.16Å | ||
| 330 | K | 25.3 | Very low | 33.9 | Very low | 183 Ų | 183 | 135.7 Ų | 135.7 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | trans | -166.3 | 92.7 | 172.4 | -114.1 | 164.3 | -172.8 | 179.4 | 0 | 115 | I328 | I328-K330 HydrophobicContact CG2-CB 3.92Å; I328-K330 PolarHBondContact O-N 2.8Å | ||
| 331 | S | 27.8 | Very low | 31.6 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -172.2 | 143.3 | 137.6 | 34.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 332 | N | 26.5 | Very low | 29.3 | Very low | 166 Ų | 166 | 150.7 Ų | 150.7 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -133.7 | 109.7 | 177 | -78.2 | -45.3 | 0 | 0 | 0 | 108.6 | ||||
| 333 | S | 30.3 | Very low | 28 | Very low | 112 Ų | 112 | 151 Ų | 151 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | 180 | 111 | 150.5 | 50.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 334 | D | 29.6 | Very low | 27.1 | Very low | 132 Ų | 132 | 150.9 Ų | 150.9 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | trans | 19.2 | 99.7 | 143.6 | -51.5 | -25.4 | 0 | 0 | 0 | 120.5 | ||||
| 335 | S | 28.5 | Very low | 27 | Very low | 119 Ų | 119 | 152.5 Ų | 152.5 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | -175.2 | 156.3 | 128.2 | 34.8 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 336 | P | 29.8 | Very low | 26.9 | Very low | 113 Ų | 113 | 147.9 Ų | 147.9 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -111.6 | 168.5 | 178.4 | 40.6 | -32.9 | 0 | 0 | 0 | 114.3 | ||||
| 337 | L | 26.1 | Very low | 27.1 | Very low | 152 Ų | 152 | 145.7 Ų | 145.7 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | trans | 86.1 | 123 | 164.1 | -66.5 | 162 | 0 | 0 | 0 | 119.4 | ||||
| 338 | I | 27.8 | Very low | 27.1 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | 68.5 | 135.6 | 146.3 | -58.1 | 164 | 0 | 0 | 0 | 118.1 | ||||
| 339 | G | 26.4 | Very low | 27.1 | Very low | 69 Ų | 69 | 141 Ų | 141 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | 104.6 | 126 | 160.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 340 | V | 26.6 | Very low | 27.2 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | trans | -103.5 | 105.2 | 161.3 | 175.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 341 | E | 26.5 | Very low | 27.4 | Very low | 181 Ų | 181 | 135 Ų | 135 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -132.2 | 130.6 | 162.9 | -74.2 | -162.6 | 143.8 | 0 | 0 | 110.1 | ||||
| 342 | F | 24.4 | Very low | 27.3 | Very low | 198 Ų | 198 | 136.3 Ų | 136.3 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | trans | -94.5 | 125.3 | 164.9 | -89.3 | -98.9 | 0 | 0 | 0 | 108.3 | ||||
| 343 | L | 27.6 | Very low | 27.6 | Very low | 163 Ų | 163 | 136.9 Ų | 136.9 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | -140.2 | 153.4 | 162.2 | -103.8 | 172 | 0 | 0 | 0 | 111 | ||||
| 344 | N | 24.9 | Very low | 27.4 | Very low | 133 Ų | 133 | 139.9 Ų | 139.9 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | -102.2 | 151 | -158.5 | -81.7 | -44.4 | 0 | 0 | 0 | 114.8 | ||||
| 345 | N | 27.3 | Very low | 27.5 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | 53.7 | 121 | 147.4 | -61.7 | -23.4 | 0 | 0 | 0 | 120.6 | ||||
| 346 | S | 26.8 | Very low | 27.4 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | -172.3 | 117.2 | 95.5 | 63.7 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 347 | V | 27.2 | Very low | 27.4 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 70% | 0.697 | 79% | 0.786 | S | S | * | * | trans | 14.4 | 130.7 | 141.2 | -175.2 | 0 | 0 | 0 | 0 | 120.9 | T349 | V347-T349 HydrophobicContact CG1-CG2 3.76Š| ||
| 348 | N | 28.1 | Very low | 27.4 | Very low | 150 Ų | 150 | 143.1 Ų | 143.1 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | -171.4 | 97.3 | 129.4 | -93.2 | -19.6 | 0 | 0 | 0 | 109.8 | |||||
| 349 | T | 26.9 | Very low | 27.4 | Very low | 91 Ų | 91 | 142.2 Ų | 142.2 | 56% | 0.558 | 77% | 0.771 | S | S | * | * | 65.9 | 101.1 | 87.7 | 61.9 | 0 | 0 | 0 | 0 | 116.4 | V347 | V347-T349 HydrophobicContact CG1-CG2 3.76Š| |||
| 350 | N | 26.6 | Very low | 27.7 | Very low | 148 Ų | 148 | 146.6 Ų | 146.6 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | 164.8 | 150.9 | 104.1 | -86 | -31.1 | 0 | 0 | 0 | 115 | |||||
| 351 | S | 29.2 | Very low | 27.7 | Very low | 105 Ų | 105 | 143 Ų | 143 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | 67.5 | 146.9 | 159 | 71.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 352 | N | 26.7 | Very low | 28 | Very low | 150 Ų | 150 | 143 Ų | 143 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | cis | -164.9 | -177.4 | -26.1 | -108 | 2.6 | 0 | 0 | 0 | 108.3 | ||||
| 353 | E | 31.9 | Very low | 28.1 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | trans | 69.9 | 91.7 | 172.9 | -60.8 | 172.9 | -165.7 | 0 | 0 | 113.7 | ||||
| 354 | E | 26.5 | Very low | 28.4 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | 70 | 104.8 | 69.4 | -62.8 | -166.6 | 147.9 | 0 | 0 | 114.7 | |||||
| 355 | D | 30.9 | Very low | 28.3 | Very low | 170 Ų | 170 | 145.9 Ų | 145.9 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | -155.2 | 148.1 | 114.4 | -136.4 | -23.8 | 0 | 0 | 0 | 110.3 | |||||
| 356 | Q | 27 | Very low | 28.2 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 61% | 0.612 | 78% | 0.782 | S | S | * | * | trans | -119.2 | 144.3 | -168 | -55.4 | -178.7 | 24.3 | 0 | 0 | 113.8 | N358 | Q356-N358 PolarHBondContact OE1-ND2 2.91Š| ||
| 357 | I | 29.4 | Very low | 28.1 | Very low | 174 Ų | 174 | 146 Ų | 146 | 89% | 0.892 | 79% | 0.786 | S | S | * | * | trans | -132.9 | 117.9 | 139.4 | -64.9 | -170.6 | 0 | 0 | 0 | 110.2 | ||||
| 358 | N | 25.9 | Very low | 28.1 | Very low | 109 Ų | 109 | 147 Ų | 147 | 58% | 0.583 | 79% | 0.792 | S | S | * | * | trans | -111.4 | 159.1 | -175.8 | -102.9 | -54.6 | 0 | 0 | 0 | 110.7 | Q356 | Q356-N358 PolarHBondContact OE1-ND2 2.91Š| ||
| 359 | I | 28 | Very low | 28 | Very low | 147 Ų | 147 | 145 Ų | 145 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | cis | -114.8 | -129.8 | -1.8 | -30.8 | 162.2 | 0 | 0 | 0 | 108.1 | ||||
| 360 | I | 32.9 | Very low | 27.9 | Very low | 160 Ų | 160 | 147.4 Ų | 147.4 | 82% | 0.821 | 80% | 0.796 | S | S | * | * | cis | -141 | 148.1 | 3.4 | -55.7 | 166.2 | 0 | 0 | 0 | 107.4 | ||||
| 361 | G | 27.3 | Very low | 27.8 | Very low | 63 Ų | 63 | 150.6 Ų | 150.6 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | trans | -149.2 | 177.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 362 | L | 32.9 | Very low | 27.6 | Very low | 181 Ų | 181 | 149.7 Ų | 149.7 | 95% | 0.948 | 80% | 0.804 | S | S | * | * | trans | -126.1 | 110.1 | 170.1 | -87.8 | 169.6 | 0 | 0 | 0 | 109.5 | ||||
| 363 | N | 26 | Very low | 27.5 | Very low | 157 Ų | 157 | 144.3 Ų | 144.3 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | trans | -84.6 | 136.7 | 172.2 | -71.9 | -37.8 | 0 | 0 | 0 | 109.9 | ||||
| 364 | N | 33.3 | Very low | 27.1 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | trans | -150.9 | 148.2 | 133.5 | -119.9 | -25.9 | 0 | 0 | 0 | 113.1 | ||||
| 365 | R | 24.3 | Very low | 27.1 | Very low | 232 Ų | 232 | 141.9 Ų | 141.9 | 88% | 0.875 | 77% | 0.77 | S | S | * | * | trans | -77.5 | 135.4 | -162.4 | -60.8 | 163.2 | 174.1 | 165.2 | -4.8 | 112.7 | ||||
| 366 | C | 25.5 | Very low | 26.9 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 83% | 0.831 | 75% | 0.746 | S | S | * | * | trans | -141.8 | 116.9 | 139.7 | -91.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 367 | T | 22.9 | Very low | 26.8 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | trans | -98.4 | 125.1 | 169.4 | 43.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 368 | V | 28.5 | Very low | 26.7 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -128.9 | 141.6 | 177.6 | -178.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 369 | D | 24.6 | Very low | 26.7 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 58% | 0.583 | 75% | 0.745 | S | S | * | * | trans | -76 | 147 | -165.5 | -162.7 | 3.6 | 0 | 0 | 0 | 112.9 | R371 | D369-R371 PolarHBondContact O-N 3.48Å; D369-R371 IonicContact OD1-NE 2.73Å; D369-R371 IonicContact OD2-CZ 3.57Å; D369-R371 IonicContact OD2-NE 3.14Å; D369-R371 PolarHBondContact OD2-NE 2.9Å; D369-R371 IonicContact OD2-NH2 2.76Å; D369-R371 PolarHBondContact OD2-NH2 2.99Å | ||
| 370 | V | 26.1 | Very low | 26.6 | Very low | 141 Ų | 141 | 140 Ų | 140 | 86% | 0.855 | 75% | 0.75 | S | S | * | * | trans | -89.7 | 77.8 | -179.5 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 371 | R | 23.9 | Very low | 26.5 | Very low | 214 Ų | 214 | 136.1 Ų | 136.1 | 81% | 0.808 | 74% | 0.735 | S | S | * | * | trans | -146.1 | 124.9 | 176.8 | -57.8 | -171.6 | -156.5 | -129.1 | -0.6 | 114 | D369 | D369-R371 PolarHBondContact O-N 3.48Å; D369-R371 IonicContact OD1-NE 2.73Å; D369-R371 IonicContact OD2-CZ 3.57Å; D369-R371 IonicContact OD2-NE 3.14Å; D369-R371 PolarHBondContact OD2-NE 2.9Å; D369-R371 IonicContact OD2-NH2 2.76Å; D369-R371 PolarHBondContact OD2-NH2 2.99Å | ||
| 372 | G | 25.1 | Very low | 26.4 | Very low | 87 Ų | 87 | 138.3 Ų | 138.3 | 90% | 0.897 | 74% | 0.74 | S | S | * | * | trans | 108.4 | 143.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 373 | G | 25.6 | Very low | 26.2 | Very low | 36 Ų | 36 | 133.4 Ų | 133.4 | 37% | 0.371 | 72% | 0.721 | S | S | . | * | trans | 98.4 | 66.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113 | S558 | G373-S558 CarbonylContact C-O 3.47Å; G373-S558 WeakPolarHBondContact CA-O 3.44Å | ||
| 374 | R | 23.6 | Very low | 26.1 | Very low | 208 Ų | 208 | 135.1 Ų | 135.1 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | 71 | 24.6 | 61.4 | -103 | -170.9 | -176.5 | -171.3 | 0.3 | 116.6 | A376 S558 E559 | R374-A376 PolarHBondContact O-N 2.67Å; R374-S558 CarbonylContact C-O 3.56Å; R374-E559 HydrophobicContact CB-CG 4.34Å | |||
| 375 | T | 26.1 | Very low | 25.9 | Very low | 94 Ų | 94 | 135 Ų | 135 | 58% | 0.577 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 131.1 | 166 | 42.7 | 0 | 0 | 0 | 0 | 111.5 | S558 | T375-S558 PolarHBondContact N-O 2.77Å; T375-S558 VanDerWaalsContact N-O 3.08Å |
| 376 | A | 26.9 | Very low | 26 | Very low | 50 Ų | 50 | 129.6 Ų | 129.6 | 41% | 0.413 | 71% | 0.705 | S | S | . | * | P | Polyproline II helix | trans | -77.6 | 138.9 | -161.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R374 H688 | R374-A376 PolarHBondContact O-N 2.67Å; A376-H688 HydrophobicContact CB-CB 3.95Å |
| 377 | H | 25.2 | Very low | 26.2 | Very low | 183 Ų | 183 | 130.8 Ų | 130.8 | 85% | 0.847 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 135.4 | 162.3 | -71.3 | -96.1 | 0 | 0 | 0 | 111 | ||
| 378 | Y | 26.1 | Very low | 26.4 | Very low | 174 Ų | 174 | 130.3 Ų | 130.3 | 68% | 0.682 | 70% | 0.695 | S | S | * | * | trans | -147.5 | 122.3 | 142.1 | -98.8 | -76.5 | 0 | 0 | 0 | 112.4 | H688 | Y378-H688 WeakPolarHBondContact CD2-O 3.42Å; Y378-H688 VanDerWaalsContact CE2-O 3.3Å; Y378-H688 WeakPolarHBondContact CE2-O 3.24Å | ||
| 379 | L | 26.3 | Very low | 26.4 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 52% | 0.524 | 70% | 0.7 | S | S | . | * | trans | 64.5 | 69.8 | 154.6 | -63.4 | 161.4 | 0 | 0 | 0 | 120.2 | ||||
| 380 | Q | 26.6 | Very low | 26.5 | Very low | 185 Ų | 185 | 128.8 Ų | 128.8 | 86% | 0.864 | 70% | 0.702 | S | S | * | * | -108 | 130.3 | 122.5 | -82.1 | -168.1 | -16.3 | 0 | 0 | 109.2 | S382 | Q380-S382 PolarHBondContact O-N 2.93Š| |||
| 381 | P | 30.1 | Very low | 26.5 | Very low | 78 Ų | 78 | 130.4 Ų | 130.4 | 51% | 0.506 | 70% | 0.704 | S | S | . | * | trans | -85.4 | 102 | 176 | 32.2 | -31.7 | 0 | 0 | 0 | 110.8 | Y233 | Y233-P381 HydrophobicContact CE2-CG 4.15Å; Y233-P381 WeakPolarHBondContact OH-CD 3.28Å | ||
| 382 | S | 24.4 | Very low | 26.7 | Very low | 109 Ų | 109 | 125 Ų | 125 | 76% | 0.762 | 70% | 0.699 | S | S | * | * | trans | -70.8 | 139.4 | 164.4 | 51.5 | 0 | 0 | 0 | 0 | 110.4 | Q380 | Q380-S382 PolarHBondContact O-N 2.93Š| ||
| 383 | S | 29.3 | Very low | 26.7 | Very low | 78 Ų | 78 | 126.9 Ų | 126.9 | 55% | 0.545 | 69% | 0.693 | S | S | . | * | trans | -132.7 | 105.6 | 162.8 | 32.3 | 0 | 0 | 0 | 0 | 108.6 | T281 | T281-S383 WeakPolarHBondContact CG2-OG 3.35Š| ||
| 384 | Y | 24.8 | Very low | 26.8 | Very low | 194 Ų | 194 | 133.5 Ų | 133.5 | 76% | 0.761 | 71% | 0.711 | S | S | * | * | trans | -70.6 | 144 | 163.6 | -86.1 | -102.4 | 0 | 0 | 0 | 109.1 | ||||
| 385 | N | 28.9 | Very low | 27 | Very low | 163 Ų | 163 | 132 Ų | 132 | 87% | 0.872 | 71% | 0.713 | S | S | * | * | -148.8 | 144.2 | 122.8 | -110 | -18.8 | 0 | 0 | 0 | 109.4 | |||||
| 386 | N | 25.7 | Very low | 27.1 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 63% | 0.631 | 71% | 0.711 | S | S | * | * | trans | -83.7 | 155.3 | -178 | -57.7 | -46.3 | 0 | 0 | 0 | 110.3 | ||||
| 387 | D | 30.2 | Very low | 27.2 | Very low | 147 Ų | 147 | 135 Ų | 135 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | -157.4 | 96 | 121.1 | -112.6 | -32.6 | 0 | 0 | 0 | 113.5 | |||||
| 388 | N | 26.5 | Very low | 27.2 | Very low | 134 Ų | 134 | 134 Ų | 134 | 72% | 0.717 | 73% | 0.728 | S | S | * | * | trans | 56.6 | 161.7 | 130.9 | -74.8 | -62.3 | 0 | 0 | 0 | 123.7 | ||||
| 389 | V | 27.9 | Very low | 27.3 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 92% | 0.921 | 74% | 0.735 | S | S | * | * | trans | 72.1 | 111.1 | 177.6 | -166.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 390 | G | 26.4 | Very low | 27.3 | Very low | 59 Ų | 59 | 135.2 Ų | 135.2 | 61% | 0.608 | 74% | 0.738 | S | S | * | * | cis | 169.6 | 176.7 | -4.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 391 | I | 27.6 | Very low | 27.4 | Very low | 175 Ų | 175 | 132.9 Ų | 132.9 | 90% | 0.897 | 74% | 0.739 | S | S | * | * | trans | 71.4 | 126.9 | 177.7 | -49.8 | 169.2 | 0 | 0 | 0 | 113.3 | ||||
| 392 | S | 26.7 | Very low | 27.1 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | cis | -174.6 | 173.9 | -15.6 | 65.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 393 | V | 26.1 | Very low | 27.3 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | cis | 175.8 | 137.3 | -24.9 | 145.6 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 394 | K | 27 | Very low | 27.3 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | cis | -148.1 | -169.4 | -20.7 | -95.5 | -170.7 | 174.7 | -168.5 | 0 | 103.9 | ||||
| 395 | Q | 29 | Very low | 27.3 | Very low | 175 Ų | 175 | 135.8 Ų | 135.8 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | cis | -140.7 | 160.5 | 12.5 | -75.7 | 177 | -131.8 | 0 | 0 | 108.6 | ||||
| 396 | A | 26.8 | Very low | 27.4 | Very low | 64 Ų | 64 | 133.3 Ų | 133.3 | 53% | 0.529 | 76% | 0.756 | S | S | . | * | cis | 91.9 | 107.5 | 16.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 397 | V | 30.4 | Very low | 27.4 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 87% | 0.873 | 76% | 0.764 | S | S | * | * | trans | -131.6 | 142.6 | 149.3 | 178.8 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 398 | E | 25.2 | Very low | 27.2 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | trans | -111.3 | -153.6 | -159.1 | -62.3 | 170 | 116.6 | 0 | 0 | 113.2 | ||||
| 399 | F | 27.7 | Very low | 27.4 | Very low | 190 Ų | 190 | 133.6 Ų | 133.6 | 83% | 0.833 | 77% | 0.767 | S | S | * | * | trans | 84.7 | 134.5 | 178.4 | -58.2 | -76.9 | 0 | 0 | 0 | 117.5 | ||||
| 400 | D | 27.3 | Very low | 27.5 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 59% | 0.588 | 77% | 0.769 | S | S | * | * | cis | -162.4 | 123.8 | -21.4 | -156.4 | -21.7 | 0 | 0 | 0 | 109.8 | S402 | D400-S402 PolarHBondContact O-N 3.34Š| ||
| 401 | P | 27 | Very low | 27.5 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -90.3 | 56.3 | -173.3 | 36.7 | -37.3 | 0 | 0 | 0 | 114.4 | ||
| 402 | S | 25.2 | Very low | 27.7 | Very low | 89 Ų | 89 | 135.9 Ų | 135.9 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | trans | -151.6 | 50.8 | -174.3 | 70.7 | 0 | 0 | 0 | 0 | 118.4 | D400 | D400-S402 PolarHBondContact O-N 3.34Š| ||
| 403 | V | 27.7 | Very low | 27.9 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | trans | -139.3 | 149.8 | 168.7 | -151.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 404 | F | 30 | Very low | 28.1 | Very low | 189 Ų | 189 | 134.9 Ų | 134.9 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | trans | 73.8 | 63.5 | 172.2 | -60 | -67.1 | 0 | 0 | 0 | 118.7 | ||||
| 405 | S | 24.6 | Very low | 28.3 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | -78.4 | 127.9 | 135.5 | 57.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 406 | S | 30.8 | Very low | 28.2 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -144.8 | 103.6 | 163.1 | 51.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 407 | T | 25.6 | Very low | 28.3 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | trans | -60.6 | 146.5 | 177.2 | 45.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 408 | L | 26.8 | Very low | 28.3 | Very low | 178 Ų | 178 | 128.3 Ų | 128.3 | 93% | 0.932 | 76% | 0.757 | S | S | * | * | trans | -140.6 | 117.4 | 136.1 | -97.9 | 174.4 | 0 | 0 | 0 | 109.1 | ||||
| 409 | P | 30.3 | Very low | 28.3 | Very low | 98 Ų | 98 | 126.6 Ų | 126.6 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | -103.2 | 156 | -178.7 | 37.8 | -32.4 | 0 | 0 | 0 | 112.8 | ||||
| 410 | F | 29.2 | Very low | 28.5 | Very low | 218 Ų | 218 | 121.5 Ų | 121.5 | 96% | 0.956 | 76% | 0.758 | S | S | * | * | trans | -137.4 | 150.2 | 146.1 | -106.1 | -81.3 | 0 | 0 | 0 | 109.9 | ||||
| 411 | S | 27.3 | Very low | 28.6 | Very low | 102 Ų | 102 | 122.6 Ų | 122.6 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | -126.9 | -178.5 | -162 | 60.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 412 | S | 31.8 | Very low | 28.8 | Very low | 113 Ų | 113 | 120.1 Ų | 120.1 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | 85.7 | 147.9 | 173.7 | 83.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 413 | S | 30.5 | Very low | 28.9 | Very low | 97 Ų | 97 | 125.2 Ų | 125.2 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | cis | -176.9 | 147 | -32.3 | 47.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 414 | S | 29.8 | Very low | 29 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | 61.8 | 157.9 | 163.9 | 25.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 415 | S | 31 | Very low | 29.1 | Very low | 107 Ų | 107 | 127.8 Ų | 127.8 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | cis | -155.7 | -178.8 | -8.9 | 40.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 416 | S | 27.9 | Very low | 29.2 | Very low | 95 Ų | 95 | 127.1 Ų | 127.1 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | trans | -44 | 173.1 | 167.4 | 60.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 417 | T | 28.7 | Very low | 29.2 | Very low | 108 Ų | 108 | 127 Ų | 127 | 66% | 0.663 | 78% | 0.775 | S | S | * | * | cis | -171.4 | 151.3 | 45.5 | -26.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 418 | T | 29.2 | Very low | 29.2 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | trans | 56.8 | 109.7 | 144.8 | 40.1 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 419 | T | 26 | Very low | 29.3 | Very low | 127 Ų | 127 | 124 Ų | 124 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | 52.5 | 122.6 | 122.9 | 63.1 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 420 | G | 32.7 | Very low | 29.3 | Very low | 82 Ų | 82 | 126.5 Ų | 126.5 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | -137.8 | 129.9 | 147 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 421 | T | 28.3 | Very low | 29.2 | Very low | 134 Ų | 134 | 124.9 Ų | 124.9 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | -113.6 | 136.6 | -169.8 | 60.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 422 | G | 31.3 | Very low | 29.2 | Very low | 83 Ų | 83 | 127.7 Ų | 127.7 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | trans | -139.2 | 121.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 423 | K | 27 | Very low | 28.8 | Very low | 195 Ų | 195 | 127 Ų | 127 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | trans | -101.5 | 138.2 | -172.7 | -64.7 | 174.9 | 179.8 | 173.4 | 0 | 112.9 | ||||
| 424 | K | 31.3 | Very low | 28.8 | Very low | 185 Ų | 185 | 130.7 Ų | 130.7 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -173.2 | 99.9 | 137.3 | -102.3 | 159.4 | -177.5 | -177 | 0 | 108.3 | ||||
| 425 | Q | 30.5 | Very low | 28.8 | Very low | 178 Ų | 178 | 130.7 Ų | 130.7 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | 86.7 | 101.3 | 86.2 | -85.2 | -179 | -41.7 | 0 | 0 | 113.7 | |||||
| 426 | S | 26.5 | Very low | 28.5 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -93.4 | 164.3 | 157 | 55 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 427 | P | 32.3 | Very low | 28.6 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | -134 | 165.9 | 90.5 | 38.8 | -26.9 | 0 | 0 | 0 | 111.9 | |||||
| 428 | S | 25.4 | Very low | 28.4 | Very low | 93 Ų | 93 | 135.6 Ų | 135.6 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | cis | 79.9 | 158.7 | 23.5 | 91.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 429 | I | 28.7 | Very low | 28.3 | Very low | 152 Ų | 152 | 137.7 Ų | 137.7 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | 67.2 | 140.9 | -170 | -24.5 | 175 | 0 | 0 | 0 | 111.5 | ||||
| 430 | I | 30.4 | Very low | 28.2 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 77% | 0.774 | 78% | 0.781 | S | S | * | * | cis | -136.3 | 123.9 | 15.7 | -61.9 | 159.4 | 0 | 0 | 0 | 106.4 | ||||
| 431 | K | 26.1 | Very low | 28 | Very low | 184 Ų | 184 | 141.4 Ų | 141.4 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | 69.7 | 93.1 | 57.9 | -149.3 | -170.5 | -165.8 | -172.8 | 0 | 115.6 | |||||
| 432 | L | 27.1 | Very low | 27.9 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | -151.4 | 128.6 | 152.3 | -117.6 | 166.8 | 0 | 0 | 0 | 111.5 | ||||
| 433 | S | 24.5 | Very low | 27.6 | Very low | 98 Ų | 98 | 143.1 Ų | 143.1 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | trans | -149.5 | 121 | -172.4 | 56.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 434 | Q | 30.2 | Very low | 27.8 | Very low | 174 Ų | 174 | 139.8 Ų | 139.8 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | trans | -165 | 145.6 | 174.7 | -100.3 | 155.6 | 20.9 | 0 | 0 | 107.8 | ||||
| 435 | S | 29.2 | Very low | 27.8 | Very low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | cis | -164.6 | 160.8 | -10.2 | 36.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 436 | N | 25.3 | Very low | 27.6 | Very low | 158 Ų | 158 | 137.6 Ų | 137.6 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | -79.1 | 152.7 | -174.2 | -51.2 | -38.9 | 0 | 0 | 0 | 115.2 | ||||
| 437 | S | 29.6 | Very low | 27.7 | Very low | 106 Ų | 106 | 142 Ų | 142 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | trans | -156.7 | 121.6 | 140.8 | 51.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 438 | L | 25 | Very low | 27.4 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | 67.9 | 129.2 | 66.7 | -64 | 167.8 | 0 | 0 | 0 | 111.6 | |||||
| 439 | M | 27.9 | Very low | 27.5 | Very low | 155 Ų | 155 | 143 Ų | 143 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | cis | -149.1 | 165.2 | 12.6 | -88 | -137.4 | -143.6 | 0 | 0 | 114.9 | ||||
| 440 | N | 24 | Very low | 27.3 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | trans | -13.7 | 155.9 | 149.9 | -47 | -32 | 0 | 0 | 0 | 120.1 | ||||
| 441 | I | 27.8 | Very low | 27.1 | Very low | 157 Ų | 157 | 143.4 Ų | 143.4 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | -178.2 | 139.2 | 110.4 | -93.7 | 159.9 | 0 | 0 | 0 | 113.1 | |||||
| 442 | S | 27 | Very low | 27.2 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | trans | 17.5 | 128.4 | 166.8 | 60.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 443 | N | 24.1 | Very low | 27.2 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | 57.1 | 113.6 | 73.6 | -83 | 1.9 | 0 | 0 | 0 | 116.2 | |||||
| 444 | D | 31.5 | Very low | 27.5 | Very low | 125 Ų | 125 | 140.1 Ų | 140.1 | 67% | 0.668 | 76% | 0.755 | S | S | * | * | -169.8 | 136.6 | 119.2 | -113.4 | 11 | 0 | 0 | 0 | 116.7 | |||||
| 445 | K | 29.9 | Very low | 27.2 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 64% | 0.635 | 75% | 0.747 | S | S | * | * | trans | 42.1 | 116.2 | 136 | -61.8 | -176.6 | -167 | 75.9 | 0 | 120.6 | ||||
| 446 | E | 26.9 | Very low | 27 | Very low | 171 Ų | 171 | 136.8 Ų | 136.8 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | 76.5 | 122.1 | 74.7 | -76.5 | -172.3 | 135.7 | 0 | 0 | 116.5 | |||||
| 447 | K | 29.2 | Very low | 27.1 | Very low | 199 Ų | 199 | 132.4 Ų | 132.4 | 87% | 0.865 | 74% | 0.742 | S | S | * | * | trans | 156.3 | 157.5 | 132.5 | -86.7 | 176.2 | 178.3 | -178.9 | 0 | 112.8 | ||||
| 448 | S | 25.9 | Very low | 26.8 | Very low | 81 Ų | 81 | 132.3 Ų | 132.3 | 57% | 0.566 | 74% | 0.742 | S | S | * | * | 173.6 | 136 | -52.6 | 52.7 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 449 | I | 26.6 | Very low | 26.8 | Very low | 141 Ų | 141 | 132.2 Ų | 132.2 | 72% | 0.723 | 74% | 0.742 | S | S | * | * | trans | 69 | 156.1 | 156.2 | -55.8 | 155.4 | 0 | 0 | 0 | 112.6 | I451 | I449-I451 HydrophobicContact CG2-CD1 4.07Å; I449-I451 HydrophobicContact CG2-CG1 4.32Å | ||
| 450 | E | 25.9 | Very low | 26.6 | Very low | 181 Ų | 181 | 129.5 Ų | 129.5 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | cis | -114 | 155.5 | 12.1 | -60.1 | 164 | 150.3 | 0 | 0 | 110.6 | ||||
| 451 | I | 25.7 | Very low | 26.7 | Very low | 132 Ų | 132 | 130.8 Ų | 130.8 | 68% | 0.677 | 74% | 0.743 | S | S | * | * | cis | 78.7 | 97 | 22.1 | -50.4 | -176.4 | 0 | 0 | 0 | 116.2 | I449 | I449-I451 HydrophobicContact CG2-CD1 4.07Å; I449-I451 HydrophobicContact CG2-CG1 4.32Å | ||
| 452 | T | 28.1 | Very low | 26.6 | Very low | 143 Ų | 143 | 129.5 Ų | 129.5 | 88% | 0.877 | 74% | 0.737 | S | S | * | * | trans | -160.2 | 123.2 | 137 | 1.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 453 | T | 26.1 | Very low | 26.7 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | -92.7 | -169.4 | 161.5 | 50.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 454 | P | 31.4 | Very low | 26.8 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 69% | 0.688 | 74% | 0.739 | S | S | * | * | cis | -151.7 | -170 | 14.5 | 39.5 | -13.6 | 0 | 0 | 0 | 119 | ||||
| 455 | S | 25 | Very low | 26.7 | Very low | 94 Ų | 94 | 132.7 Ų | 132.7 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | trans | 70.7 | 110.9 | 136.3 | 67.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 456 | S | 23.9 | Very low | 26.6 | Very low | 120 Ų | 120 | 130.7 Ų | 130.7 | 84% | 0.839 | 75% | 0.745 | S | S | * | * | 65.8 | 128.6 | 121.5 | 69.4 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 457 | G | 27.5 | Very low | 26.5 | Very low | 65 Ų | 65 | 130.8 Ų | 130.8 | 67% | 0.67 | 75% | 0.745 | S | S | * | * | trans | 153.6 | 100.3 | 158.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 458 | S | 22.9 | Very low | 26.4 | Very low | 104 Ų | 104 | 127.1 Ų | 127.1 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | 76.5 | 130.8 | 61.6 | 76.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 459 | N | 26.5 | Very low | 26.3 | Very low | 148 Ų | 148 | 129 Ų | 129 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | trans | 77.8 | 122.8 | -179.7 | -48.3 | -17.2 | 0 | 0 | 0 | 113.5 | ||||
| 460 | S | 22.5 | Very low | 26.3 | Very low | 97 Ų | 97 | 128.4 Ų | 128.4 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | cis | 91.3 | 109.2 | 31.5 | 79.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 461 | I | 27.3 | Very low | 26.1 | Very low | 157 Ų | 157 | 126.3 Ų | 126.3 | 81% | 0.805 | 75% | 0.748 | S | S | * | * | trans | 172.8 | 110.8 | 158.5 | -90.3 | 147 | 0 | 0 | 0 | 102.8 | ||||
| 462 | I | 24.6 | Very low | 26 | Very low | 131 Ų | 131 | 126.5 Ų | 126.5 | 67% | 0.672 | 75% | 0.751 | S | S | * | * | 77.2 | 99.1 | 57.9 | -59.5 | 168.1 | 0 | 0 | 0 | 112.7 | |||||
| 463 | E | 29.5 | Very low | 25.8 | Very low | 183 Ų | 183 | 126.2 Ų | 126.2 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | trans | -175.4 | 102.4 | 144 | -103.1 | 166.8 | -163 | 0 | 0 | 105.4 | ||||
| 464 | N | 25.7 | Very low | 25.7 | Very low | 133 Ų | 133 | 124.4 Ų | 124.4 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | 54.6 | 116.9 | 73 | -62.1 | -15.7 | 0 | 0 | 0 | 111.4 | |||||
| 465 | T | 29.7 | Very low | 25.5 | Very low | 128 Ų | 128 | 125.6 Ų | 125.6 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | -145.2 | 135 | 61.9 | 25.6 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 466 | V | 27.7 | Very low | 25.4 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | 51.7 | 102.5 | 114.7 | 179.4 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 467 | E | 24.9 | Very low | 25.5 | Very low | 173 Ų | 173 | 128.6 Ų | 128.6 | 81% | 0.808 | 75% | 0.752 | S | S | * | * | 67.8 | 135.5 | 94.1 | -66.7 | 178.3 | 149.4 | 0 | 0 | 114.6 | |||||
| 468 | T | 28.2 | Very low | 25.5 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | -157.5 | 138.4 | 78 | -60.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 469 | V | 23.3 | Very low | 25.9 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | trans | -91.5 | 135.1 | 167.7 | 173.3 | 0 | 0 | 0 | 0 | 109.6 | L471 | V469-L471 HydrophobicContact CG1-CD1 4.32Å; V469-L471 HydrophobicContact CG1-CG 4.28Å | ||
| 470 | C | 25.9 | Very low | 26 | Very low | 128 Ų | 128 | 129 Ų | 129 | 87% | 0.865 | 75% | 0.746 | S | S | * | * | trans | -127.3 | 122.1 | 162.7 | -83.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 471 | L | 22.7 | Very low | 26.7 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | trans | -114.8 | 142 | 178.1 | -89.5 | 162.5 | 0 | 0 | 0 | 110.4 | V469 | V469-L471 HydrophobicContact CG1-CD1 4.32Å; V469-L471 HydrophobicContact CG1-CG 4.28Å | ||
| 472 | N | 23.5 | Very low | 27 | Very low | 135 Ų | 135 | 128.7 Ų | 128.7 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | 66 | 166.8 | 156.5 | -59.9 | -23.4 | 0 | 0 | 0 | 118.9 | ||||
| 473 | T | 23.4 | Very low | 27.4 | Very low | 137 Ų | 137 | 129.4 Ų | 129.4 | 84% | 0.84 | 74% | 0.742 | S | S | * | * | trans | 71 | 142.2 | 174.1 | 71.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 474 | S | 24.6 | Very low | 27.3 | Very low | 88 Ų | 88 | 127.5 Ų | 127.5 | 62% | 0.615 | 74% | 0.737 | S | S | * | * | cis | -169 | 167.4 | -15.7 | 51.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 475 | N | 25.4 | Very low | 27.5 | Very low | 132 Ų | 132 | 125.3 Ų | 125.3 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | 65.2 | 117 | 151.3 | -64.2 | -10.5 | 0 | 0 | 0 | 117.6 | ||||
| 476 | M | 24.1 | Very low | 27.6 | Very low | 174 Ų | 174 | 127.6 Ų | 127.6 | 86% | 0.857 | 73% | 0.731 | S | S | * | * | 94.7 | 134.2 | 64.5 | -88.1 | -167 | 175.4 | 0 | 0 | 112.7 | |||||
| 477 | A | 25.6 | Very low | 28 | Very low | 102 Ų | 102 | 127.9 Ų | 127.9 | 84% | 0.843 | 73% | 0.729 | S | S | * | * | trans | 62.7 | 153.7 | 170 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 478 | S | 26.8 | Very low | 28.2 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | cis | -161.5 | -179.1 | -24.2 | 56.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 479 | S | 31.6 | Very low | 28.6 | Very low | 83 Ų | 83 | 125.5 Ų | 125.5 | 58% | 0.58 | 72% | 0.723 | S | S | * | * | cis | -167.3 | 153.9 | 17 | -6.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 480 | N | 29.8 | Very low | 29 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | trans | 62.8 | 157.8 | 148.9 | -53.9 | 4.8 | 0 | 0 | 0 | 118.1 | ||||
| 481 | D | 37.1 | Very low | 29.4 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 68% | 0.684 | 72% | 0.721 | S | S | * | * | cis | -125.8 | 136.4 | 6.5 | -90.7 | -66.8 | 0 | 0 | 0 | 110 | ||||
| 482 | N | 31.9 | Very low | 29.7 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | 56.3 | 132.3 | 97 | -64.2 | -51.7 | 0 | 0 | 0 | 114.5 | |||||
| 483 | L | 33.1 | Very low | 30.3 | Very low | 146 Ų | 146 | 127.8 Ų | 127.8 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | cis | -145.4 | 142.8 | 28.3 | -92.8 | 101.6 | 0 | 0 | 0 | 113.5 | ||||
| 484 | L | 28.4 | Very low | 30.6 | Very low | 143 Ų | 143 | 127 Ų | 127 | 75% | 0.749 | 71% | 0.706 | S | S | * | * | 39.2 | 144.7 | 114.2 | -73.4 | 145.7 | 0 | 0 | 0 | 120.2 | |||||
| 485 | S | 30.1 | Very low | 31 | Very low | 86 Ų | 86 | 130.4 Ų | 130.4 | 60% | 0.601 | 71% | 0.714 | S | S | * | * | cis | -175.3 | 157.4 | 8.8 | 56.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 486 | K | 31.7 | Very low | 31.2 | Very low | 176 Ų | 176 | 130.3 Ų | 130.3 | 77% | 0.765 | 71% | 0.713 | S | S | * | * | trans | 72.1 | 155.2 | 142.7 | -73.7 | 171.7 | 166.6 | -162.9 | 0 | 120.1 | ||||
| 487 | D | 35.1 | Very low | 31.6 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 59% | 0.594 | 71% | 0.714 | S | S | * | * | cis | -155.2 | 138.8 | -6.2 | -113.9 | -28.9 | 0 | 0 | 0 | 113.9 | ||||
| 488 | N | 30.4 | Very low | 31.7 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | trans | 63.8 | 156.7 | 145.1 | -66 | -40.5 | 0 | 0 | 0 | 126.6 | ||||
| 489 | P | 35.3 | Very low | 31.9 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 67% | 0.669 | 71% | 0.714 | S | S | * | * | trans | -124 | -173.4 | -170.2 | 45.2 | -30.6 | 0 | 0 | 0 | 114.7 | ||||
| 490 | Y | 32.4 | Very low | 31.9 | Very low | 214 Ų | 214 | 133.6 Ų | 133.6 | 84% | 0.839 | 72% | 0.721 | S | S | * | * | trans | -164.3 | 142.8 | 143.1 | -101.5 | -66.8 | 0 | 0 | 0 | 113.3 | ||||
| 491 | D | 33.3 | Very low | 31.8 | Very low | 134 Ų | 134 | 135.5 Ų | 135.5 | 72% | 0.717 | 73% | 0.725 | S | S | * | * | trans | 37.7 | 158.7 | 153.1 | -77.3 | -50.1 | 0 | 0 | 0 | 124.6 | ||||
| 492 | S | 31.1 | Very low | 31.7 | Very low | 79 Ų | 79 | 136.4 Ų | 136.4 | 55% | 0.552 | 73% | 0.73 | S | S | * | * | -169.2 | 167.6 | -53.6 | 50.2 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 493 | N | 34.5 | Very low | 31.6 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | trans | 74.4 | 86.1 | 164.3 | -59.1 | -53.7 | 0 | 0 | 0 | 120.3 | ||||
| 494 | N | 30.6 | Very low | 31.7 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 65% | 0.647 | 75% | 0.746 | S | S | * | * | 59.6 | 103.4 | 106.7 | -168.5 | 24.1 | 0 | 0 | 0 | 119.7 | |||||
| 495 | M | 32.2 | Very low | 31.7 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 79% | 0.788 | 75% | 0.75 | S | S | * | * | -162.7 | 154.6 | 114.3 | -104.4 | -60.7 | 159.9 | 0 | 0 | 112.2 | |||||
| 496 | N | 30 | Very low | 31.8 | Very low | 129 Ų | 129 | 144.1 Ų | 144.1 | 69% | 0.69 | 76% | 0.756 | S | S | * | * | trans | -75.2 | 139.8 | -174.4 | -65.8 | -47 | 0 | 0 | 0 | 113.4 | ||||
| 497 | N | 32.2 | Very low | 32.1 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 87% | 0.866 | 75% | 0.754 | S | S | * | * | -162.7 | 145.4 | 122.8 | -99.1 | -33.8 | 0 | 0 | 0 | 111.3 | |||||
| 498 | N | 28.6 | Very low | 32.3 | Very low | 168 Ų | 168 | 143.7 Ų | 143.7 | 90% | 0.898 | 76% | 0.758 | S | S | * | * | trans | -85.8 | 115.9 | -170.6 | -71.2 | -35.3 | 0 | 0 | 0 | 112.5 | ||||
| 499 | S | 29.9 | Very low | 33.1 | Very low | 100 Ų | 100 | 140.6 Ų | 140.6 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | trans | -131.4 | 85.2 | 164.8 | 61.1 | 0 | 0 | 0 | 0 | 110.2 | H501 | S499-H501 PolarHBondContact O-N 2.89Š| ||
| 500 | S | 31.3 | Very low | 33.6 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | -75 | 86.5 | -179.1 | 55.3 | 0 | 0 | 0 | 0 | 111.6 | N502 | S500-N502 PolarHBondContact O-N 3.11Š| ||
| 501 | H | 29.5 | Very low | 34.8 | Very low | 179 Ų | 179 | 141 Ų | 141 | 83% | 0.829 | 74% | 0.737 | S | S | * | * | trans | -62.7 | 100.7 | 164.6 | -88.2 | -79 | 0 | 0 | 0 | 109.7 | S499 H503 | S499-H501 PolarHBondContact O-N 2.89Å; H501-H503 PolarHBondContact O-N 3.24Å | ||
| 502 | N | 33.8 | Very low | 36.2 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | trans | -71 | 111.3 | 174 | -81.5 | -23.6 | 0 | 0 | 0 | 110.1 | S500 L504 | S500-N502 PolarHBondContact O-N 3.11Å; N502-L504 PolarHBondContact O-N 3.5Å; N502-L504 VanDerWaalsContact O-N 3.09Å | ||
| 503 | H | 31.1 | Very low | 38.4 | Very low | 189 Ų | 189 | 136.9 Ų | 136.9 | 88% | 0.875 | 71% | 0.706 | S | S | * | * | trans | -61.4 | 109.3 | 171.4 | -117.7 | -76 | 0 | 0 | 0 | 109.9 | H501 K505 | H501-H503 PolarHBondContact O-N 3.24Å; H503-K505 PolarHBondContact O-N 3.33Å; H503-K505 VanDerWaalsContact O-N 3.09Å | ||
| 504 | L | 33.6 | Very low | 40.8 | Very low | 165 Ų | 165 | 133.6 Ų | 133.6 | 86% | 0.864 | 69% | 0.686 | S | S | * | * | trans | -64.6 | 108.9 | 168 | -82.6 | 161.9 | 0 | 0 | 0 | 108.8 | N502 | N502-L504 PolarHBondContact O-N 3.5Å; N502-L504 VanDerWaalsContact O-N 3.09Å | ||
| 505 | K | 29.6 | Very low | 43.7 | Very low | 190 Ų | 190 | 127.9 Ų | 127.9 | 83% | 0.826 | 66% | 0.655 | S | S | * | * | trans | -64.6 | 135.2 | 165.3 | -99.7 | 180 | 174.7 | 174.8 | 0 | 108.5 | H503 M507 | H503-K505 PolarHBondContact O-N 3.33Å; H503-K505 VanDerWaalsContact O-N 3.09Å; K505-M507 PolarHBondContact O-N 3.45Å | ||
| 506 | P | 31.8 | Very low | 46.6 | Very low | 112 Ų | 112 | 121.2 Ų | 121.2 | 73% | 0.727 | 62% | 0.624 | S | S | * | * | trans | -61.2 | 132.6 | 171.1 | 26.5 | -33.4 | 0 | 0 | 0 | 109.5 | I508 | P506-I508 PolarHBondContact O-N 3.05Š| ||
| 507 | M | 37.1 | Very low | 49.7 | Very low | 148 Ų | 148 | 115.1 Ų | 115.1 | 73% | 0.729 | 59% | 0.591 | S | S | * | * | trans | -67.7 | 98.9 | 174.6 | 176.1 | 172.7 | 156.7 | 0 | 0 | 108.8 | K505 I509 | K505-M507 PolarHBondContact O-N 3.45Å; M507-I509 PolarHBondContact O-N 2.92Å | ||
| 508 | I | 40.7 | Very low | 52.8 | Low | 130 Ų | 130 | 107.5 Ų | 107.5 | 67% | 0.667 | 55% | 0.55 | S | S | * | * | trans | -68 | 104.2 | 168.5 | -59.2 | 174.6 | 0 | 0 | 0 | 106.3 | P506 R510 | P506-I508 PolarHBondContact O-N 3.05Å; I508-R510 HydrophobicContact CG2-CG 4.22Å; I508-R510 PolarHBondContact O-N 3.44Å; I508-R510 VanDerWaalsContact O-N 3.08Å | ||
| 509 | I | 46.9 | Very low | 56.1 | Low | 76 Ų | 76 | 99.5 Ų | 99.5 | 39% | 0.39 | 51% | 0.508 | S | S | . | . | trans | -57.3 | 114.5 | 171.4 | -59.7 | 173.7 | 0 | 0 | 0 | 107.2 | M507 E513 | M507-I509 PolarHBondContact O-N 2.92Å; I509-E513 WeakPolarHBondContact CG2-OE1 3.37Å | ||
| 510 | R | 46.2 | Very low | 59.3 | Low | 190 Ų | 190 | 94.9 Ų | 94.9 | 72% | 0.717 | 48% | 0.475 | S | S | * | . | trans | -113.8 | 124.3 | 176.1 | -77.3 | -172.8 | 177.1 | -175.1 | -3 | 108.8 | I508 | I508-R510 HydrophobicContact CG2-CG 4.22Å; I508-R510 PolarHBondContact O-N 3.44Å; I508-R510 VanDerWaalsContact O-N 3.08Å | ||
| 511 | D | 56.9 | Low | 62.4 | Low | 135 Ų | 135 | 90 Ų | 90 | 72% | 0.722 | 44% | 0.441 | S | S | * | . | S | Bend | trans | 62.1 | 96.9 | 150.2 | -42.1 | -32.1 | 0 | 0 | 0 | 116.9 | ||
| 512 | M | 62.5 | Low | 65.6 | Low | 97 Ų | 97 | 81.6 Ų | 81.6 | 48% | 0.478 | 40% | 0.402 | S | S | . | . | trans | 61.2 | 96 | 159 | -63 | -82.1 | -91.1 | 0 | 0 | 117.8 | V308 D310 | V308-M512 HydrophobicContact CG1-CB 4.09Å; V308-M512 HydrophobicContact CG1-CE 3.74Å; V308-M512 HydrophobicContact CG1-CG 4.47Å; V308-M512 HydrophobicContact CG1-SD 3.55Å; V308-M512 VanDerWaalsContact CG1-SD 3.55Å; D310-M512 HydrophobicContact CB-SD 3.64Å; D310-M512 VanDerWaalsContact CG-SD 3.55Å | ||
| 513 | E | 77.3 | Confident | 68.5 | Low | 31 Ų | 31 | 74.8 Ų | 74.8 | 15% | 0.145 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 129.2 | 176.1 | -71.5 | -166.6 | -131 | 0 | 0 | 113.7 | V308 L309 I509 I557 L731 | V308-E513 WeakPolarHBondContact CA-O 3.25Å; L309-E513 PolarHBondContact N-O 3.49Å; L309-E513 PolarHBondContact O-N 3.03Å; I509-E513 WeakPolarHBondContact CG2-OE1 3.37Å; E513-I557 WeakPolarHBondContact OE2-CD1 3.47Å; E513-I557 WeakPolarHBondContact OE2-CG1 3.45Å; E513-L731 WeakPolarHBondContact OE2-CD2 3.44Å |
| 514 | H | 85.4 | Confident | 71.5 | Confident | 73 Ų | 73 | 66.1 Ų | 66.1 | 34% | 0.338 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 122.2 | 175.8 | -78.6 | -117.2 | 0 | 0 | 0 | 111.9 | E306 N556 | E306-H514 IonicContact OE1-CE1 2.72Å; E306-H514 IonicContact OE1-CG 3.68Å; E306-H514 IonicContact OE1-ND1 2.92Å; E306-H514 PolarHBondContact OE1-ND1 3.32Å; H514-N556 HydrophobicContact CB-CB 4.13Å; H514-N556 PolarHBondContact O-N 2.78Å |
| 515 | V | 90.6 | Very high | 74.3 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 121.1 | -178.7 | -179.2 | 0 | 0 | 0 | 0 | 109.9 | F307 L309 L553 H554 T555 L731 | F307-V515 PolarHBondContact N-O 2.66Å; F307-V515 PolarHBondContact O-N 3.23Å; L309-V515 HydrophobicContact CD1-CB 4.49Å; L309-V515 HydrophobicContact CD1-CG2 3.67Å; L309-V515 HydrophobicContact CG-CG2 3.97Å; V515-L553 HydrophobicContact CG1-CD1 3.45Å; V515-L553 VanDerWaalsContact CG1-CD1 3.45Å; V515-L553 HydrophobicContact CG1-CG 4.31Å; V515-H554 WeakPolarHBondContact CA-O 3.46Å; V515-T555 HydrophobicContact CG2-CG2 4.24Å; V515-L731 HydrophobicContact CG2-CD1 3.72Å |
| 516 | T | 94 | Very high | 77.2 | Confident | 21 Ų | 21 | 53 Ų | 53 | 13% | 0.129 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 128.4 | 175.9 | -57.2 | 0 | 0 | 0 | 0 | 110.3 | F304 E305 I518 H554 | F304-T516 HydrophobicContact CD1-CG2 4.36Å; E305-T516 WeakPolarHBondContact O-CA 3.33Å; T516-I518 HydrophobicContact CG2-CD1 4.47Å; T516-I518 HydrophobicContact CG2-CG1 3.95Å; T516-H554 PolarHBondContact N-O 2.88Å; T516-H554 PolarHBondContact O-N 3.22Å |
| 517 | V | 95.6 | Very high | 79.9 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 131.2 | 170.3 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | E305 F307 I552 L553 I722 F742 M749 | E305-V517 PolarHBondContact N-O 3.28Å; E305-V517 PolarHBondContact O-N 3.05Å; F307-V517 HydrophobicContact CD2-CG2 3.9Å; F307-V517 HydrophobicContact CE2-CB 3.96Å; F307-V517 HydrophobicContact CE2-CG2 3.54Å; V517-I552 WeakPolarHBondContact CA-O 3.39Å; V517-L553 HydrophobicContact CG2-CD1 3.86Å; V517-I722 HydrophobicContact CG1-CD1 4.44Å; V517-F742 HydrophobicContact CG2-CE2 4.12Å; V517-F742 HydrophobicContact CG2-CZ 3.69Å; V517-M749 HydrophobicContact CB-CE 4.22Å; V517-M749 HydrophobicContact CG1-CE 4.06Å; V517-M749 HydrophobicContact CG1-SD 4.34Å; V517-M749 VanDerWaalsContact O-CE 3.32Å; V517-M749 WeakPolarHBondContact O-CE 3.38Å |
| 518 | I | 96.9 | Very high | 82.3 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 132.4 | -179.4 | -36.4 | 171 | 0 | 0 | 0 | 108.4 | L77 P78 V302 H303 F304 T516 Q551 I552 | L77-I518 HydrophobicContact CD2-CD1 4.07Å; L77-I518 HydrophobicContact CD2-CG2 4.4Å; P78-I518 HydrophobicContact CG-CD1 4.26Å; V302-I518 HydrophobicContact CG1-CG2 4.41Å; H303-I518 WeakPolarHBondContact O-CA 3.28Å; H303-I518 WeakPolarHBondContact O-CG2 3.47Å; F304-I518 HydrophobicContact CD1-CB 4.31Å; F304-I518 HydrophobicContact CD1-CD1 3.8Å; F304-I518 HydrophobicContact CD1-CG1 3.67Å; F304-I518 HydrophobicContact CD1-CG2 3.78Å; F304-I518 HydrophobicContact CD2-CG2 4.12Å; F304-I518 HydrophobicContact CE1-CD1 3.58Å; F304-I518 HydrophobicContact CE1-CG1 3.94Å; F304-I518 HydrophobicContact CE1-CG2 3.76Å; F304-I518 HydrophobicContact CE2-CG2 4.1Å; F304-I518 HydrophobicContact CG-CG1 4.42Å; F304-I518 HydrophobicContact CG-CG2 3.96Å; F304-I518 HydrophobicContact CZ-CG2 3.92Å; T516-I518 HydrophobicContact CG2-CD1 4.47Å; T516-I518 HydrophobicContact CG2-CG1 3.95Å; I518-Q551 WeakPolarHBondContact O-CA 3.36Å; I518-I552 HydrophobicContact CB-CB 4.08Å; I518-I552 HydrophobicContact CD1-CB 4.16Å; I518-I552 HydrophobicContact CD1-CD1 4.34Å; I518-I552 HydrophobicContact CD1-CG2 4.1Å; I518-I552 HydrophobicContact CG1-CB 4.28Å; I518-I552 PolarHBondContact N-O 3.16Å; I518-I552 PolarHBondContact O-N 3.22Å |
| 519 | I | 97.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 123 | 166.6 | -60.1 | -177.3 | 0 | 0 | 0 | 107.8 | V302 H303 T549 M749 W750 N753 | V302-I519 WeakPolarHBondContact CA-O 3.26Å; H303-I519 PolarHBondContact N-O 2.81Å; H303-I519 PolarHBondContact O-N 3.07Å; I519-T549 HydrophobicContact CG2-CG2 3.93Å; I519-M749 HydrophobicContact CD1-CB 3.57Å; I519-M749 HydrophobicContact CD1-CE 4.42Å; I519-M749 HydrophobicContact CG1-CB 4.41Å; I519-M749 HydrophobicContact CG1-CE 4.06Å; I519-W750 HydrophobicContact CD1-CB 4.46Å; I519-W750 VanDerWaalsContact CD1-CD1 3.4Å; I519-W750 HydrophobicContact CD1-CD2 4.03Å; I519-W750 HydrophobicContact CD1-CG 3.75Å; I519-N753 HydrophobicContact CG2-CB 4.41Å |
| 520 | F | 97.2 | Very high | 86.1 | Confident | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.018 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 105.7 | 176.2 | -155 | -48.3 | 0 | 0 | 0 | 109.3 | L77 V83 L187 V302 R522 E550 | L77-F520 HydrophobicContact CD1-CE2 4.29Å; L77-F520 HydrophobicContact CD2-CD2 4.32Å; V83-F520 HydrophobicContact CG2-CE2 4.17Å; L187-F520 HydrophobicContact CB-CZ 4.05Å; L187-F520 HydrophobicContact CD1-CZ 4.38Å; L187-F520 HydrophobicContact CD2-CE2 4.38Å; V302-F520 HydrophobicContact CB-CD2 4.43Å; V302-F520 HydrophobicContact CG1-CD2 3.71Å; V302-F520 HydrophobicContact CG1-CE2 4.04Å; V302-F520 HydrophobicContact CG1-CG 4.13Å; V302-F520 HydrophobicContact CG2-CD1 3.73Å; V302-F520 HydrophobicContact CG2-CD2 3.82Å; V302-F520 HydrophobicContact CG2-CE1 3.54Å; V302-F520 HydrophobicContact CG2-CE2 3.65Å; V302-F520 HydrophobicContact CG2-CG 3.85Å; V302-F520 HydrophobicContact CG2-CZ 3.49Å; V302-F520 VanDerWaalsContact CG2-CZ 3.49Å; F520-R522 HydrophobicContact CD1-CG 3.72Å; F520-R522 HydrophobicContact CE1-CG 3.66Å; F520-E550 HydrophobicContact CB-CB 4.41Å; F520-E550 PolarHBondContact N-O 2.63Å; F520-E550 PolarHBondContact O-N 2.99Å |
| 521 | S | 97 | Very high | 87.7 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.007 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 129.6 | 170.9 | -70.8 | 0 | 0 | 0 | 0 | 111.1 | G300 Y301 E548 T549 N753 | G300-S521 WeakPolarHBondContact CA-O 3.25Å; Y301-S521 PolarHBondContact N-O 3.05Å; Y301-S521 PolarHBondContact O-N 3.38Å; S521-E548 CarbonylContact C-O 3.55Å; S521-E548 VanDerWaalsContact CA-O 3.25Å; S521-E548 WeakPolarHBondContact CA-O 3.26Å; S521-T549 WeakPolarHBondContact OG-CG2 3.49Å; S521-T549 PolarHBondContact OG-OG1 3.19Å; S521-N753 WeakPolarHBondContact CB-OD1 3.33Å; S521-N753 VanDerWaalsContact OG-CG 3.22Å; S521-N753 PolarHBondContact OG-ND2 3.39Å; S521-N753 VanDerWaalsContact OG-ND2 3.07Å; S521-N753 PolarHBondContact OG-OD1 3.04Å |
| 522 | R | 96.6 | Very high | 88.5 | Confident | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 124.5 | 175.2 | -59.1 | 177.7 | -78.3 | -77 | -11.9 | 109.7 | L187 T188 F244 V298 F520 V547 E548 E550 | L187-R522 WeakPolarHBondContact O-CD 3.38Å; T188-R522 WeakPolarHBondContact O-CD 3.36Å; T188-R522 PolarHBondContact O-NE 3.43Å; F244-R522 HydrophobicContact CB-CB 4.48Å; F244-R522 HydrophobicContact CD1-CB 3.52Å; F244-R522 HydrophobicContact CD2-CB 4.29Å; F244-R522 HydrophobicContact CE1-CB 3.7Å; F244-R522 VanDerWaalsContact CE1-O 3.28Å; F244-R522 WeakPolarHBondContact CE1-O 3.46Å; F244-R522 HydrophobicContact CE2-CB 4.42Å; F244-R522 HydrophobicContact CG-CB 3.84Å; F244-R522 HydrophobicContact CZ-CB 4.15Å; V298-R522 HydrophobicContact CG1-CB 4.08Å; V298-R522 HydrophobicContact CG1-CG 3.85Å; F520-R522 HydrophobicContact CD1-CG 3.72Å; F520-R522 HydrophobicContact CE1-CG 3.66Å; R522-V547 VanDerWaalsContact O-CA 3.28Å; R522-V547 WeakPolarHBondContact O-CA 3.46Å; R522-V547 WeakPolarHBondContact O-CG1 3.38Å; R522-E548 IonicContact CZ-OE2 2.76Å; R522-E548 PolarHBondContact N-O 3.05Å; R522-E548 IonicContact NE-OE2 2.78Å; R522-E548 PolarHBondContact NE-OE2 2.78Å; R522-E548 IonicContact NH2-OE2 3.12Å; R522-E548 PolarHBondContact NH2-OE2 3.07Å; R522-E548 PolarHBondContact O-N 3.01Å; R522-E550 IonicContact CZ-OE2 2.71Å; R522-E550 IonicContact NH1-OE2 3.72Å; R522-E550 PolarHBondContact NH1-OE2 2.9Å; R522-E550 IonicContact NH2-OE2 3.67Å; R522-E550 PolarHBondContact NH2-OE2 3.16Å; R522-E550 VanDerWaalsContact NH2-OE2 3.13Å |
| 523 | R | 94.4 | Very high | 89.3 | Confident | 5 Ų | 5 | 19 Ų | 19 | 2% | 0.019 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 133.1 | 177.7 | -177.8 | -177.7 | -178.6 | -132 | 7.5 | 110.3 | Q299 G529 N545 V547 I760 | Q299-R523 PolarHBondContact O-N 3.34Å; R523-G529 PolarHBondContact NH2-O 3.49Å; R523-N545 PolarHBondContact NH2-OD1 2.88Å; R523-V547 HydrophobicContact CB-CG2 4.09Å; R523-V547 HydrophobicContact CG-CG2 4.08Å; R523-I760 VanDerWaalsContact NH1-CG2 3.34Å |
| 524 | S | 94.5 | Very high | 89.6 | Confident | 6 Ų | 6 | 19.5 Ų | 19.5 | 4% | 0.042 | 8% | 0.084 | C | C | . | . | trans | -69.3 | 145.1 | 179.6 | -170.7 | 0 | 0 | 0 | 0 | 112.9 | R243 Y526 Y546 | R243-S524 CarbonylContact O-C 3.55Å; R243-S524 WeakPolarHBondContact O-CA 3.42Å; R243-S524 PolarHBondContact O-OG 2.63Å; S524-Y526 PolarHBondContact OG-N 3.2Å; S524-Y546 PolarHBondContact N-O 3.18Å | ||
| 525 | C | 92.4 | Very high | 89.8 | Confident | 13 Ų | 13 | 16.3 Ų | 16.3 | 9% | 0.088 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -76.7 | -31 | 174.3 | -48.7 | 0 | 0 | 0 | 0 | 111.5 | R243 W246 A528 | R243-C525 PolarHBondContact O-N 2.71Å; R243-C525 PolarHBondContact O-SG 3.05Å; W246-C525 VanDerWaalsContact CA-SG 3.5Å; C525-A528 WeakPolarHBondContact O-CB 3.28Å; C525-A528 PolarHBondContact O-N 2.96Å |
| 526 | Y | 90.9 | Very high | 89.8 | Confident | 68 Ų | 68 | 16.3 Ų | 16.3 | 27% | 0.267 | 7% | 0.069 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 135 | 179.9 | -55.4 | -34.9 | 0 | 0 | 0 | 111.2 | E242 R243 S524 A528 H542 | E242-Y526 WeakPolarHBondContact CB-OH 3.24Å; E242-Y526 PolarHBondContact OE2-OH 3.5Å; R243-Y526 HydrophobicContact CB-CE2 4.45Å; R243-Y526 HydrophobicContact CG-CD2 4.13Å; R243-Y526 HydrophobicContact CG-CE2 3.7Å; S524-Y526 PolarHBondContact OG-N 3.2Å; Y526-A528 PolarHBondContact O-N 3.39Å; Y526-H542 AromaticContact CD2-CD2 3.6Å; Y526-H542 AromaticContact CD2-CE1 3.86Å; Y526-H542 AromaticContact CD2-CG 3.85Å; Y526-H542 AromaticContact CD2-NE2 3.64Å; Y526-H542 AromaticContact CE2-NE2 3.79Å; Y526-H542 AromaticContact CG-ND1 3.96Å |
| 527 | R | 88.6 | Confident | 89.8 | Confident | 65 Ų | 65 | 15.3 Ų | 15.3 | 25% | 0.245 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 27.9 | -177.5 | -156.2 | 177.8 | 174.4 | 85.3 | -4 | 114.2 | R535 G536 I537 H542 A544 | R527-R535 VanDerWaalsContact CZ-O 3.3Å; R527-R535 PolarHBondContact NE-O 3.41Å; R527-R535 PolarHBondContact NH2-O 3.18Å; R527-G536 VanDerWaalsContact CD-O 3.28Å; R527-G536 WeakPolarHBondContact CD-O 3.34Å; R527-G536 PolarHBondContact NE-O 2.86Å; R527-I537 PolarHBondContact NE-O 3.33Å; R527-I537 PolarHBondContact NH1-O 2.87Å; R527-I537 VanDerWaalsContact NH1-O 3.13Å; R527-I537 PolarHBondContact NH2-O 2.85Å; R527-H542 WeakPolarHBondContact CD-O 3.23Å; R527-A544 HydrophobicContact CB-CB 4.48Å; R527-A544 HydrophobicContact CG-CB 3.96Å |
| 528 | A | 87.3 | Confident | 89.6 | Confident | 6 Ų | 6 | 16.6 Ų | 16.6 | 5% | 0.05 | 7% | 0.07 | C | C | . | . | trans | -67.2 | 142.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | C525 Y526 Q803 I806 I810 | C525-A528 WeakPolarHBondContact O-CB 3.28Å; C525-A528 PolarHBondContact O-N 2.96Å; Y526-A528 PolarHBondContact O-N 3.39Å; A528-Q803 PolarHBondContact O-NE2 2.8Å; A528-I806 HydrophobicContact CB-CG2 4.25Å; A528-I810 HydrophobicContact CB-CD1 3.86Å | ||
| 529 | G | 82.8 | Confident | 89.4 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -179.8 | -160.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | R523 N545 | R523-G529 PolarHBondContact NH2-O 3.49Å; G529-N545 PolarHBondContact O-OD1 3.5Å | ||
| 530 | T | 83.2 | Confident | 89.2 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 12% | 0.122 | C | C | . | . | trans | -100.4 | 159.9 | -177.9 | 68.8 | 0 | 0 | 0 | 0 | 113 | Y532 R533 R534 E799 R802 Q803 I806 | T530-Y532 PolarHBondContact O-N 3.16Å; T530-R533 PolarHBondContact O-N 3.11Å; T530-R533 VanDerWaalsContact O-N 3.1Å; T530-R533 WeakPolarHBondContact OG1-CB 3.35Å; T530-R534 PolarHBondContact O-N 2.92Å; T530-E799 WeakPolarHBondContact CB-OE2 3.48Å; T530-E799 HydrophobicContact CG2-CB 4.41Å; T530-E799 HydrophobicContact CG2-CG 4.03Å; T530-E799 VanDerWaalsContact OG1-CD 3.27Å; T530-E799 WeakPolarHBondContact OG1-CG 3.35Å; T530-E799 PolarHBondContact OG1-OE2 2.82Å; T530-R802 HydrophobicContact CG2-CB 4Å; T530-R802 HydrophobicContact CG2-CG 3.75Å; T530-Q803 HydrophobicContact CG2-CB 4.46Å; T530-I806 HydrophobicContact CG2-CD1 4.19Å | ||
| 531 | R | 80 | Confident | 89 | Confident | 30 Ų | 30 | 27.4 Ų | 27.4 | 11% | 0.113 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -34.9 | -168.5 | -171.4 | 175 | 179.7 | -150.6 | -0.4 | 115.4 | R535 D705 Y761 A762 | R531-R535 VanDerWaalsContact CG-NH2 3.32Å; R531-R535 VanDerWaalsContact O-CZ 3.26Å; R531-R535 PolarHBondContact O-NE 3.29Å; R531-R535 PolarHBondContact O-NH2 2.83Å; R531-D705 WeakPolarHBondContact CG-OD1 3.42Å; R531-D705 IonicContact CZ-OD1 3.4Å; R531-D705 IonicContact CZ-OD2 2.99Å; R531-D705 VanDerWaalsContact NE-CG 3.31Å; R531-D705 IonicContact NE-OD1 2.8Å; R531-D705 PolarHBondContact NE-OD1 2.89Å; R531-D705 IonicContact NE-OD2 3.77Å; R531-D705 PolarHBondContact NE-OD2 2.83Å; R531-D705 IonicContact NH2-OD1 3.62Å; R531-D705 IonicContact NH2-OD2 3.13Å; R531-D705 PolarHBondContact NH2-OD2 2.87Å; R531-Y761 HydrophobicContact CB-CE1 4.08Å; R531-Y761 HydrophobicContact CB-CE2 4.25Å; R531-Y761 HydrophobicContact CG-CE1 3.85Å; R531-Y761 PolarHBondContact N-O 3.39Å; R531-A762 HydrophobicContact CB-CB 4.47Å |
| 532 | Y | 74.7 | Confident | 88.8 | Confident | 20 Ų | 20 | 28.6 Ų | 28.6 | 8% | 0.078 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115 | 1.5 | -177.2 | -55.9 | -83.2 | 0 | 0 | 0 | 114.3 | T530 P586 R796 E799 | T530-Y532 PolarHBondContact O-N 3.16Å; Y532-P586 HydrophobicContact CD1-CG 3.94Å; Y532-P586 HydrophobicContact CE1-CG 4.03Å; Y532-R796 HydrophobicContact CD2-CB 4.36Å; Y532-R796 HydrophobicContact CD2-CG 3.72Å; Y532-R796 HydrophobicContact CE2-CG 4.37Å; Y532-R796 HydrophobicContact CG-CG 4.2Å; Y532-R796 PolarHBondContact OH-NH2 3.18Å; Y532-R796 VanDerWaalsContact OH-NH2 3.1Å; Y532-E799 WeakPolarHBondContact CD2-OE1 3.3Å; Y532-E799 PolarHBondContact N-OE2 3.04Å |
| 533 | R | 78.6 | Confident | 88.7 | Confident | 52 Ų | 52 | 28.6 Ų | 28.6 | 20% | 0.196 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -28.8 | 179.4 | -72.7 | -83.5 | 161.2 | 174.4 | -10.8 | 114.7 | T530 E799 Q803 E817 | T530-R533 PolarHBondContact O-N 3.11Å; T530-R533 VanDerWaalsContact O-N 3.1Å; T530-R533 WeakPolarHBondContact OG1-CB 3.35Å; R533-E799 HydrophobicContact CG-CB 4.36Å; R533-Q803 HydrophobicContact CB-CB 4.47Å; R533-Q803 HydrophobicContact CB-CG 4.23Å; R533-E817 VanDerWaalsContact CD-OE1 3.3Å; R533-E817 WeakPolarHBondContact CD-OE1 3.4Å; R533-E817 IonicContact CZ-OE1 2.71Å; R533-E817 IonicContact NE-OE1 3.66Å; R533-E817 IonicContact NH1-OE1 3.8Å; R533-E817 PolarHBondContact NH1-OE1 2.86Å |
| 534 | R | 85 | Confident | 88.5 | Confident | 40 Ų | 40 | 28.4 Ų | 28.4 | 15% | 0.151 | 13% | 0.125 | C | C | . | . | trans | -131.2 | 109.8 | 175.9 | -55.8 | -68 | -173.1 | -117.5 | -5.1 | 110.4 | T530 A544 N545 D807 E817 | T530-R534 PolarHBondContact O-N 2.92Å; R534-A544 HydrophobicContact CB-CB 4.37Å; R534-N545 PolarHBondContact O-ND2 3.44Å; R534-D807 IonicContact CZ-OD1 2.69Å; R534-D807 IonicContact NE-OD1 3.61Å; R534-D807 VanDerWaalsContact NH2-CG 3.29Å; R534-D807 IonicContact NH2-OD1 3.94Å; R534-D807 PolarHBondContact NH2-OD1 2.89Å; R534-D807 IonicContact NH2-OD2 2.81Å; R534-D807 PolarHBondContact NH2-OD2 3.4Å; R534-E817 IonicContact CZ-OE2 3.13Å; R534-E817 IonicContact NH1-OE1 2.8Å; R534-E817 IonicContact NH1-OE2 3.66Å; R534-E817 PolarHBondContact NH1-OE2 2.83Å; R534-E817 IonicContact NH2-OE2 3.59Å; R534-E817 PolarHBondContact NH2-OE2 2.85Å | ||
| 535 | R | 89 | Confident | 88.1 | Confident | 6 Ų | 6 | 28.2 Ų | 28.2 | 2% | 0.023 | 12% | 0.124 | C | C | . | . | trans | -133.8 | 167.2 | 174.4 | -70.4 | -176 | 174.3 | -99.2 | -34.4 | 109.4 | R527 R531 W577 L704 D705 Y761 | R527-R535 VanDerWaalsContact CZ-O 3.3Å; R527-R535 PolarHBondContact NE-O 3.41Å; R527-R535 PolarHBondContact NH2-O 3.18Å; R531-R535 VanDerWaalsContact CG-NH2 3.32Å; R531-R535 VanDerWaalsContact O-CZ 3.26Å; R531-R535 PolarHBondContact O-NE 3.29Å; R531-R535 PolarHBondContact O-NH2 2.83Å; R535-W577 CarbonylContact C-O 3.55Å; R535-W577 HydrophobicContact CB-CD2 4.31Å; R535-W577 HydrophobicContact CB-CE3 4.34Å; R535-W577 HydrophobicContact CB-CH2 4.45Å; R535-W577 HydrophobicContact CB-CZ2 4.36Å; R535-W577 HydrophobicContact CB-CZ3 4.44Å; R535-W577 WeakPolarHBondContact CB-O 3.29Å; R535-W577 HydrophobicContact CG-CH2 4.42Å; R535-W577 HydrophobicContact CG-CZ3 4.48Å; R535-W577 VanDerWaalsContact NH1-CH2 3.31Å; R535-L704 PolarHBondContact NH1-O 3.01Å; R535-D705 IonicContact CZ-OD1 2.86Å; R535-D705 IonicContact NH1-OD1 2.75Å; R535-D705 IonicContact NH2-OD1 3.23Å; R535-D705 PolarHBondContact NH2-OD1 3.43Å; R535-D705 IonicContact NH2-OD2 2.69Å; R535-Y761 PolarHBondContact NH2-OH 3.18Å; R535-Y761 VanDerWaalsContact NH2-OH 3.08Å | ||
| 536 | G | 90.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 64.4 | -159.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115 | R527 A544 S572 L575 W577 | R527-G536 VanDerWaalsContact CD-O 3.28Å; R527-G536 WeakPolarHBondContact CD-O 3.34Å; R527-G536 PolarHBondContact NE-O 2.86Å; G536-A544 WeakPolarHBondContact O-CB 3.47Å; G536-A544 PolarHBondContact O-N 2.99Å; G536-S572 PolarHBondContact N-OG 2.96Å; G536-L575 CarbonylContact C-O 3.54Å; G536-L575 WeakPolarHBondContact CA-O 3.43Å; G536-W577 VanDerWaalsContact CA-CD1 3.46Å; G536-W577 VanDerWaalsContact CA-NE1 3.33Å |
| 537 | I | 93.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 11% | 0.11 | C | C | . | . | B | Isolated β-bridge | trans | -102.3 | 160.4 | -173.1 | -154.1 | 164.8 | 0 | 0 | 0 | 113 | R527 H542 V543 P574 L575 Y576 A600 | R527-I537 PolarHBondContact NE-O 3.33Å; R527-I537 PolarHBondContact NH1-O 2.87Å; R527-I537 VanDerWaalsContact NH1-O 3.13Å; R527-I537 PolarHBondContact NH2-O 2.85Å; I537-H542 CarbonylContact C-O 3.5Å; I537-H542 WeakPolarHBondContact CA-O 3.41Å; I537-V543 HydrophobicContact CD1-CG1 4.39Å; I537-V543 HydrophobicContact CG1-CG1 4.21Å; I537-P574 HydrophobicContact CD1-CB 4.05Å; I537-L575 VanDerWaalsContact CG2-C 3.44Å; I537-L575 PolarHBondContact N-O 3.44Å; I537-Y576 HydrophobicContact CG2-CD1 4Å; I537-Y576 HydrophobicContact CG2-CD2 3.9Å; I537-Y576 HydrophobicContact CG2-CE1 4.07Å; I537-Y576 HydrophobicContact CG2-CE2 3.97Å; I537-Y576 HydrophobicContact CG2-CG 3.93Å; I537-Y576 WeakPolarHBondContact O-CD1 3.5Å; I537-A600 HydrophobicContact CD1-CB 3.92Å; I537-A600 VanDerWaalsContact CD1-O 3.3Å; I537-A600 WeakPolarHBondContact CD1-O 3.49Å; I537-A600 HydrophobicContact CG1-CB 4.34Å; I537-A600 HydrophobicContact CG2-CB 3.86Å |
| 538 | D | 92.1 | Very high | 88.7 | Confident | 28 Ų | 28 | 22 Ų | 22 | 15% | 0.15 | 10% | 0.099 | C | C | . | . | trans | -105.1 | 174.4 | 166.9 | 74.4 | 17.7 | 0 | 0 | 0 | 113.5 | N540 G541 H542 | D538-N540 PolarHBondContact O-N 2.94Å; D538-N540 WeakPolarHBondContact OD1-CA 3.07Å; D538-N540 WeakPolarHBondContact OD1-CB 3.38Å; D538-N540 PolarHBondContact OD1-N 2.67Å; D538-G541 PolarHBondContact O-N 2.95Å; D538-G541 PolarHBondContact OD1-N 3.19Å; D538-H542 PolarHBondContact N-O 3.36Å; D538-H542 IonicContact OD1-CG 2.96Å; D538-H542 PolarHBondContact OD1-N 3.13Å; D538-H542 IonicContact OD1-ND1 3.87Å; D538-H542 PolarHBondContact OD1-ND1 2.8Å; D538-H542 IonicContact OD2-CG 3.91Å; D538-H542 IonicContact OD2-ND1 3.03Å; D538-H542 PolarHBondContact OD2-ND1 3.01Å | ||
| 539 | K | 92.3 | Very high | 89.2 | Confident | 154 Ų | 154 | 21.7 Ų | 21.7 | 67% | 0.67 | 10% | 0.097 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -18.5 | 177.5 | 61.2 | 164.6 | -170.4 | 174.6 | 0 | 115.3 | Y576 | K539-Y576 VanDerWaalsContact CA-OH 3.24Å; K539-Y576 WeakPolarHBondContact CA-OH 3.32Å; K539-Y576 PolarHBondContact N-OH 3.43Å |
| 540 | N | 92.5 | Very high | 89.9 | Confident | 79 Ų | 79 | 21.9 Ų | 21.9 | 42% | 0.422 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -7.7 | 177.2 | -62.9 | -4.4 | 0 | 0 | 0 | 110.8 | D538 H542 R607 | D538-N540 PolarHBondContact O-N 2.94Å; D538-N540 WeakPolarHBondContact OD1-CA 3.07Å; D538-N540 WeakPolarHBondContact OD1-CB 3.38Å; D538-N540 PolarHBondContact OD1-N 2.67Å; N540-H542 VanDerWaalsContact CB-CE1 3.4Å; N540-H542 WeakPolarHBondContact CB-CE1 3.42Å; N540-R607 VanDerWaalsContact O-CZ 3.28Å; N540-R607 PolarHBondContact O-NH1 3.19Å; N540-R607 PolarHBondContact O-NH2 2.79Å |
| 541 | G | 92.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.098 | C | C | . | . | S | Bend | trans | 89.1 | 21.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D538 Y604 | D538-G541 PolarHBondContact O-N 2.95Å; D538-G541 PolarHBondContact OD1-N 3.19Å; G541-Y604 WeakPolarHBondContact O-CB 3.5Å; G541-Y604 VanDerWaalsContact O-CD2 3.22Å; G541-Y604 WeakPolarHBondContact O-CD2 2.99Å |
| 542 | H | 93.9 | Very high | 91.3 | Very high | 25 Ų | 25 | 20.6 Ų | 20.6 | 12% | 0.116 | 9% | 0.093 | C | C | . | . | P | Polyproline II helix | trans | -95.3 | 130.5 | 177 | -44.8 | 126.8 | 0 | 0 | 0 | 111.9 | Y526 R527 I537 D538 N540 R607 | Y526-H542 AromaticContact CD2-CD2 3.6Å; Y526-H542 AromaticContact CD2-CE1 3.86Å; Y526-H542 AromaticContact CD2-CG 3.85Å; Y526-H542 AromaticContact CD2-NE2 3.64Å; Y526-H542 AromaticContact CE2-NE2 3.79Å; Y526-H542 AromaticContact CG-ND1 3.96Å; R527-H542 WeakPolarHBondContact CD-O 3.23Å; I537-H542 CarbonylContact C-O 3.5Å; I537-H542 WeakPolarHBondContact CA-O 3.41Å; D538-H542 PolarHBondContact N-O 3.36Å; D538-H542 IonicContact OD1-CG 2.96Å; D538-H542 PolarHBondContact OD1-N 3.13Å; D538-H542 IonicContact OD1-ND1 3.87Å; D538-H542 PolarHBondContact OD1-ND1 2.8Å; D538-H542 IonicContact OD2-CG 3.91Å; D538-H542 IonicContact OD2-ND1 3.03Å; D538-H542 PolarHBondContact OD2-ND1 3.01Å; N540-H542 VanDerWaalsContact CB-CE1 3.4Å; N540-H542 WeakPolarHBondContact CB-CE1 3.42Å; H542-R607 PolarHBondContact NE2-NH2 2.87Å |
| 543 | V | 93.2 | Very high | 92.3 | Very high | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.018 | 9% | 0.089 | C | C | . | . | B | Isolated β-bridge | trans | -86.1 | 143.1 | 175.4 | -57.4 | 0 | 0 | 0 | 0 | 112.5 | I537 N545 Y546 P574 Y604 | I537-V543 HydrophobicContact CD1-CG1 4.39Å; I537-V543 HydrophobicContact CG1-CG1 4.21Å; V543-N545 PolarHBondContact O-N 2.85Å; V543-Y546 HydrophobicContact CG2-CD2 4Å; V543-P574 HydrophobicContact CG1-CB 3.68Å; V543-Y604 HydrophobicContact CB-CE2 4.2Å; V543-Y604 HydrophobicContact CG1-CD1 4.28Å; V543-Y604 HydrophobicContact CG1-CD2 3.89Å; V543-Y604 HydrophobicContact CG1-CE1 4.07Å; V543-Y604 HydrophobicContact CG1-CE2 3.64Å; V543-Y604 HydrophobicContact CG1-CG 4.18Å; V543-Y604 HydrophobicContact CG2-CE2 3.65Å; V543-Y604 WeakPolarHBondContact CG2-OH 3.35Å |
| 544 | A | 90.5 | Very high | 93 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 133.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | R527 R534 G536 Y546 S572 | R527-A544 HydrophobicContact CB-CB 4.48Å; R527-A544 HydrophobicContact CG-CB 3.96Å; R534-A544 HydrophobicContact CB-CB 4.37Å; G536-A544 WeakPolarHBondContact O-CB 3.47Å; G536-A544 PolarHBondContact O-N 2.99Å; A544-Y546 VanDerWaalsContact C-N 3.35Å; A544-Y546 PolarHBondContact O-N 3.16Å; A544-S572 VanDerWaalsContact O-CB 3.26Å; A544-S572 WeakPolarHBondContact O-CB 3.44Å; A544-S572 PolarHBondContact O-N 3.45Å; A544-S572 VanDerWaalsContact O-N 3.16Å |
| 545 | N | 86 | Confident | 93.3 | Very high | 3 Ų | 3 | 16.8 Ų | 16.8 | 2% | 0.016 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 35.4 | 173.5 | -45.1 | -76.8 | 0 | 0 | 0 | 114.6 | R523 G529 R534 V543 V547 Y761 | R523-N545 PolarHBondContact NH2-OD1 2.88Å; G529-N545 PolarHBondContact O-OD1 3.5Å; R534-N545 PolarHBondContact O-ND2 3.44Å; V543-N545 PolarHBondContact O-N 2.85Å; N545-V547 PolarHBondContact O-N 2.63Å; N545-Y761 HydrophobicContact CB-CD2 4.4Å; N545-Y761 HydrophobicContact CB-CE2 4.39Å; N545-Y761 VanDerWaalsContact CG-CE2 3.44Å; N545-Y761 WeakPolarHBondContact ND2-CE2 3.49Å; N545-Y761 VanDerWaalsContact OD1-CD2 3.29Å; N545-Y761 WeakPolarHBondContact OD1-CD2 3.35Å |
| 546 | Y | 93.8 | Very high | 92.6 | Very high | 11 Ų | 11 | 20 Ų | 20 | 4% | 0.043 | 10% | 0.097 | C | C | . | . | trans | -56.6 | 134.2 | 166.9 | -173.2 | -96.5 | 0 | 0 | 0 | 111.2 | R243 F244 S524 V543 A544 E548 C569 R570 Y604 H608 | R243-Y546 PolarHBondContact NH1-OH 2.71Å; F244-Y546 HydrophobicContact CE1-CD1 4.48Å; F244-Y546 HydrophobicContact CZ-CD1 4.33Å; F244-Y546 HydrophobicContact CZ-CE1 4.11Å; S524-Y546 PolarHBondContact N-O 3.18Å; V543-Y546 HydrophobicContact CG2-CD2 4Å; A544-Y546 VanDerWaalsContact C-N 3.35Å; A544-Y546 PolarHBondContact O-N 3.16Å; Y546-E548 HydrophobicContact CE1-CG 4.18Å; Y546-C569 HydrophobicContact CE2-CB 4.34Å; Y546-C569 PolarHBondContact OH-SG 2.84Å; Y546-C569 VanDerWaalsContact OH-SG 3.33Å; Y546-R570 CarbonylContact C-O 3.58Å; Y546-R570 WeakPolarHBondContact CA-O 3.09Å; Y546-Y604 HydrophobicContact CD2-CE2 4.37Å; Y546-Y604 WeakPolarHBondContact CD2-OH 3.02Å; Y546-Y604 HydrophobicContact CE2-CE2 4.43Å; Y546-Y604 WeakPolarHBondContact CE2-OH 3.31Å; Y546-H608 AromaticContact CE2-CE1 3.87Å; Y546-H608 AromaticContact CE2-NE2 3.31Å; Y546-H608 VanDerWaalsContact CE2-NE2 3.31Å; Y546-H608 WeakPolarHBondContact CE2-NE2 3.35Å; Y546-H608 AromaticContact CZ-NE2 3.47Å; Y546-H608 PolarHBondContact OH-NE2 3.45Å | ||
| 547 | V | 95.2 | Very high | 91.6 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.018 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 124.4 | 175.7 | 178.4 | 0 | 0 | 0 | 0 | 109.3 | R522 R523 N545 R570 I757 | R522-V547 VanDerWaalsContact O-CA 3.28Å; R522-V547 WeakPolarHBondContact O-CA 3.46Å; R522-V547 WeakPolarHBondContact O-CG1 3.38Å; R523-V547 HydrophobicContact CB-CG2 4.09Å; R523-V547 HydrophobicContact CG-CG2 4.08Å; N545-V547 PolarHBondContact O-N 2.63Å; V547-R570 HydrophobicContact CB-CG 3.91Å; V547-R570 PolarHBondContact N-O 3.38Å; V547-R570 PolarHBondContact O-N 3.07Å; V547-I757 HydrophobicContact CG2-CG2 4.22Å |
| 548 | E | 96.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 133.2 | 159.3 | -89.1 | -179.3 | -158.8 | 0 | 0 | 108.9 | R193 R243 F244 S521 R522 Y546 L567 | R193-E548 IonicContact NH2-OE1 2.73Å; R193-E548 PolarHBondContact NH2-OE1 3.02Å; R243-E548 IonicContact CZ-OE1 3.86Å; R243-E548 IonicContact NH1-OE1 3.62Å; R243-E548 IonicContact NH2-OE1 3.92Å; R243-E548 PolarHBondContact NH2-OE1 2.93Å; F244-E548 HydrophobicContact CE2-CB 4.47Å; F244-E548 HydrophobicContact CE2-CG 4.24Å; F244-E548 HydrophobicContact CZ-CB 3.88Å; F244-E548 HydrophobicContact CZ-CG 3.8Å; S521-E548 CarbonylContact C-O 3.55Å; S521-E548 VanDerWaalsContact CA-O 3.25Å; S521-E548 WeakPolarHBondContact CA-O 3.26Å; R522-E548 IonicContact CZ-OE2 2.76Å; R522-E548 PolarHBondContact N-O 3.05Å; R522-E548 IonicContact NE-OE2 2.78Å; R522-E548 PolarHBondContact NE-OE2 2.78Å; R522-E548 IonicContact NH2-OE2 3.12Å; R522-E548 PolarHBondContact NH2-OE2 3.07Å; R522-E548 PolarHBondContact O-N 3.01Å; Y546-E548 HydrophobicContact CE1-CG 4.18Å; E548-L567 HydrophobicContact CB-CD1 4.13Å; E548-L567 HydrophobicContact CG-CD1 4.1Å; E548-L567 HydrophobicContact CG-CD2 4.29Å; E548-L567 HydrophobicContact CG-CG 4.48Å |
| 549 | T | 97.6 | Very high | 89 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 112.5 | 166.8 | -59.3 | 0 | 0 | 0 | 0 | 108.7 | I519 S521 Q568 W750 | I519-T549 HydrophobicContact CG2-CG2 3.93Å; S521-T549 WeakPolarHBondContact OG-CG2 3.49Å; S521-T549 PolarHBondContact OG-OG1 3.19Å; T549-Q568 PolarHBondContact N-O 2.96Å; T549-Q568 PolarHBondContact O-N 3.49Å; T549-W750 HydrophobicContact CG2-CH2 3.36Å; T549-W750 HydrophobicContact CG2-CZ2 4.05Å; T549-W750 HydrophobicContact CG2-CZ3 3.79Å |
| 550 | E | 97.4 | Very high | 88.3 | Confident | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.019 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 133.3 | 176.4 | -175.6 | 177.5 | -171.2 | 0 | 0 | 109.7 | W190 T191 F520 R522 I552 V565 L567 | W190-E550 WeakPolarHBondContact CA-OE2 3.49Å; W190-E550 VanDerWaalsContact CB-OE2 3.29Å; W190-E550 WeakPolarHBondContact CB-OE2 3.34Å; T191-E550 WeakPolarHBondContact CB-OE1 3.13Å; T191-E550 PolarHBondContact N-OE1 2.82Å; T191-E550 PolarHBondContact OG1-OE1 3.27Å; F520-E550 HydrophobicContact CB-CB 4.41Å; F520-E550 PolarHBondContact N-O 2.63Å; F520-E550 PolarHBondContact O-N 2.99Å; R522-E550 IonicContact CZ-OE2 2.71Å; R522-E550 IonicContact NH1-OE2 3.72Å; R522-E550 PolarHBondContact NH1-OE2 2.9Å; R522-E550 IonicContact NH2-OE2 3.67Å; R522-E550 PolarHBondContact NH2-OE2 3.16Å; R522-E550 VanDerWaalsContact NH2-OE2 3.13Å; E550-I552 HydrophobicContact CG-CD1 4.45Å; E550-I552 HydrophobicContact CG-CG1 4.01Å; E550-V565 HydrophobicContact CG-CG1 3.47Å; E550-V565 VanDerWaalsContact CG-CG1 3.47Å; E550-V565 VanDerWaalsContact OE1-CG1 3.3Å; E550-V565 WeakPolarHBondContact OE1-CG1 3.22Å; E550-L567 HydrophobicContact CB-CD1 3.87Å; E550-L567 HydrophobicContact CG-CD1 4.44Å |
| 551 | Q | 96.9 | Very high | 88 | Confident | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.009 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 117.4 | 175.2 | 179.4 | 171.5 | -100.9 | 0 | 0 | 108.7 | I518 V565 F566 A718 I722 | I518-Q551 WeakPolarHBondContact O-CA 3.36Å; Q551-V565 WeakPolarHBondContact O-CA 3.14Å; Q551-F566 PolarHBondContact N-O 3.47Å; Q551-F566 PolarHBondContact O-N 2.91Å; Q551-A718 PolarHBondContact NE2-O 3.03Å; Q551-I722 HydrophobicContact CG-CD1 4.26Å; Q551-I722 HydrophobicContact CG-CG1 4.49Å; Q551-I722 VanDerWaalsContact NE2-CG1 3.34Å; Q551-I722 VanDerWaalsContact OE1-CD1 3.3Å |
| 552 | I | 96.5 | Very high | 88 | Confident | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 133.6 | -178.6 | -53.1 | 172.2 | 0 | 0 | 0 | 108.6 | L77 P78 V517 I518 E550 T563 V564 V565 | L77-I552 HydrophobicContact CD2-CD1 4.18Å; P78-I552 HydrophobicContact CG-CG2 4.01Å; V517-I552 WeakPolarHBondContact CA-O 3.39Å; I518-I552 HydrophobicContact CB-CB 4.08Å; I518-I552 HydrophobicContact CD1-CB 4.16Å; I518-I552 HydrophobicContact CD1-CD1 4.34Å; I518-I552 HydrophobicContact CD1-CG2 4.1Å; I518-I552 HydrophobicContact CG1-CB 4.28Å; I518-I552 PolarHBondContact N-O 3.16Å; I518-I552 PolarHBondContact O-N 3.22Å; E550-I552 HydrophobicContact CG-CD1 4.45Å; E550-I552 HydrophobicContact CG-CG1 4.01Å; I552-T563 HydrophobicContact CG2-CG2 3.94Å; I552-V564 WeakPolarHBondContact CA-O 3.16Å; I552-V565 HydrophobicContact CB-CG2 4.39Å; I552-V565 HydrophobicContact CG1-CG1 4.08Å; I552-V565 HydrophobicContact CG1-CG2 4.04Å; I552-V565 HydrophobicContact CG2-CG2 4.1Å |
| 553 | L | 95.3 | Very high | 88 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 117.1 | 170.9 | -177.4 | 71.9 | 0 | 0 | 0 | 107.3 | V515 V517 T563 V564 Q725 L726 I729 | V515-L553 HydrophobicContact CG1-CD1 3.45Å; V515-L553 VanDerWaalsContact CG1-CD1 3.45Å; V515-L553 HydrophobicContact CG1-CG 4.31Å; V517-L553 HydrophobicContact CG2-CD1 3.86Å; L553-T563 WeakPolarHBondContact O-CA 3.42Å; L553-V564 HydrophobicContact CB-CB 4.4Å; L553-V564 PolarHBondContact N-O 3.34Å; L553-V564 PolarHBondContact O-N 2.81Å; L553-Q725 HydrophobicContact CD2-CB 3.89Å; L553-L726 HydrophobicContact CD1-CD2 4.32Å; L553-L726 HydrophobicContact CD2-CD2 3.88Å; L553-L726 HydrophobicContact CD2-CG 4.05Å; L553-I729 HydrophobicContact CD2-CD1 3.79Å |
| 554 | H | 93.6 | Very high | 88.1 | Confident | 32 Ų | 32 | 24.3 Ų | 24.3 | 15% | 0.148 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 131.2 | -178.9 | -175.6 | 62.2 | 0 | 0 | 0 | 110.8 | P78 V515 T516 N556 H562 T563 | P78-H554 HydrophobicContact CG-CB 3.85Å; V515-H554 WeakPolarHBondContact CA-O 3.46Å; T516-H554 PolarHBondContact N-O 2.88Å; T516-H554 PolarHBondContact O-N 3.22Å; H554-N556 PolarHBondContact CD2-OD1 3.17Å; H554-N556 VanDerWaalsContact CD2-OD1 3.3Å; H554-N556 PolarHBondContact NE2-OD1 3.43Å; H554-H562 WeakPolarHBondContact CA-O 3.41Å; H554-H562 PolarHBondContact ND1-O 3.32Å; H554-T563 PolarHBondContact CE1-OG1 3.45Å; H554-T563 PolarHBondContact ND1-OG1 3.35Å |
| 555 | T | 89.7 | Confident | 88.3 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 125.6 | -179.8 | 70.5 | 0 | 0 | 0 | 0 | 110.6 | V515 I557 P561 H562 I729 L731 | V515-T555 HydrophobicContact CG2-CG2 4.24Å; T555-I557 PolarHBondContact O-N 2.84Å; T555-I557 VanDerWaalsContact O-N 3.12Å; T555-P561 WeakPolarHBondContact O-CA 3.35Å; T555-H562 PolarHBondContact N-O 3.15Å; T555-H562 PolarHBondContact OG1-N 3.44Å; T555-I729 HydrophobicContact CG2-CD1 4.2Å; T555-I729 HydrophobicContact CG2-CG2 4.47Å; T555-L731 HydrophobicContact CG2-CD1 3.94Å |
| 556 | N | 75.2 | Confident | 88.8 | Confident | 72 Ų | 72 | 24.1 Ų | 24.1 | 39% | 0.385 | 13% | 0.126 | S | C | . | . | trans | -87.6 | 45 | -179.9 | -67.2 | -24.3 | 0 | 0 | 0 | 111.3 | H514 H554 S558 | H514-N556 HydrophobicContact CB-CB 4.13Å; H514-N556 PolarHBondContact O-N 2.78Å; H554-N556 PolarHBondContact CD2-OD1 3.17Å; H554-N556 VanDerWaalsContact CD2-OD1 3.3Å; H554-N556 PolarHBondContact NE2-OD1 3.43Å; N556-S558 PolarHBondContact O-N 3.34Å | ||
| 557 | I | 69.9 | Low | 89 | Confident | 37 Ų | 37 | 23.6 Ų | 23.6 | 19% | 0.19 | 12% | 0.124 | C | C | . | . | trans | -69.3 | 120.9 | -179.7 | -60.3 | 175.2 | 0 | 0 | 0 | 108.3 | E513 T555 E559 F560 | E513-I557 WeakPolarHBondContact OE2-CD1 3.47Å; E513-I557 WeakPolarHBondContact OE2-CG1 3.45Å; T555-I557 PolarHBondContact O-N 2.84Å; T555-I557 VanDerWaalsContact O-N 3.12Å; I557-E559 PolarHBondContact O-N 2.8Å; I557-F560 CarbonylContact O-C 3.6Å; I557-F560 PolarHBondContact O-N 3.1Å | ||
| 558 | S | 63.4 | Low | 89 | Confident | 71 Ų | 71 | 23.5 Ų | 23.5 | 50% | 0.497 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -63.2 | -4.6 | -157.6 | -47.1 | 0 | 0 | 0 | 0 | 117.7 | G373 R374 T375 N556 | G373-S558 CarbonylContact C-O 3.47Å; G373-S558 WeakPolarHBondContact CA-O 3.44Å; R374-S558 CarbonylContact C-O 3.56Å; T375-S558 PolarHBondContact N-O 2.77Å; T375-S558 VanDerWaalsContact N-O 3.08Å; N556-S558 PolarHBondContact O-N 3.34Å |
| 559 | E | 68.4 | Low | 89 | Confident | 91 Ų | 91 | 23.5 Ų | 23.5 | 43% | 0.425 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -122.7 | -31.5 | 170.8 | -58.8 | -161.2 | 128.2 | 0 | 0 | 112.4 | R374 I557 | R374-E559 HydrophobicContact CB-CG 4.34Å; I557-E559 PolarHBondContact O-N 2.8Å |
| 560 | F | 77.1 | Confident | 88.8 | Confident | 99 Ų | 99 | 23.5 Ų | 23.5 | 43% | 0.434 | 12% | 0.123 | S | C | . | . | trans | -137.9 | 84.3 | -170.1 | -53.7 | -54.5 | 0 | 0 | 0 | 111.8 | I557 H562 H688 | I557-F560 CarbonylContact O-C 3.6Å; I557-F560 PolarHBondContact O-N 3.1Å; F560-H562 PolarHBondContact O-CD2 2.9Å; F560-H688 AromaticContact CD1-CD2 3.88Å; F560-H688 AromaticContact CD1-CE1 3.15Å; F560-H688 WeakPolarHBondContact CD1-CE1 3.33Å; F560-H688 AromaticContact CD1-CG 3.98Å; F560-H688 AromaticContact CD1-ND1 3.54Å; F560-H688 AromaticContact CD1-NE2 3.36Å; F560-H688 WeakPolarHBondContact CD1-NE2 3.38Å; F560-H688 AromaticContact CE1-CE1 3.92Å; F560-H688 AromaticContact CE1-NE2 3.7Å; F560-H688 AromaticContact CG-CE1 3.68Å | ||
| 561 | P | 86.8 | Confident | 88.6 | Confident | 29 Ų | 29 | 23.3 Ų | 23.3 | 19% | 0.188 | 12% | 0.122 | C | C | . | . | trans | -68 | 139.7 | 176.9 | 27.2 | -34.3 | 0 | 0 | 0 | 111.7 | T555 | T555-P561 WeakPolarHBondContact O-CA 3.35Š| ||
| 562 | H | 91.7 | Very high | 88.3 | Confident | 39 Ų | 39 | 23.5 Ų | 23.5 | 18% | 0.181 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 134 | 172.2 | -61.4 | -104 | 0 | 0 | 0 | 109.9 | H554 T555 F560 W685 T687 | H554-H562 WeakPolarHBondContact CA-O 3.41Å; H554-H562 PolarHBondContact ND1-O 3.32Å; T555-H562 PolarHBondContact N-O 3.15Å; T555-H562 PolarHBondContact OG1-N 3.44Å; F560-H562 PolarHBondContact O-CD2 2.9Å; H562-W685 AromaticContact CG-NE1 3.79Å; H562-W685 AromaticContact ND1-CE2 3.69Å; H562-W685 AromaticContact ND1-CZ2 3.68Å; H562-W685 AromaticContact ND1-NE1 3.19Å; H562-W685 PolarHBondContact ND1-NE1 2.78Å; H562-W685 VanDerWaalsContact ND1-NE1 3.19Å; H562-T687 VanDerWaalsContact ND1-CG2 3.28Å; H562-T687 WeakPolarHBondContact ND1-CG2 3.3Å |
| 563 | T | 94.1 | Very high | 88.1 | Confident | 14 Ų | 14 | 23.4 Ų | 23.4 | 9% | 0.086 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 118.5 | 173.5 | -58.6 | 0 | 0 | 0 | 0 | 108.5 | P78 I552 L553 H554 V565 I686 | P78-T563 HydrophobicContact CB-CG2 3.96Å; P78-T563 HydrophobicContact CG-CG2 4.01Å; I552-T563 HydrophobicContact CG2-CG2 3.94Å; L553-T563 WeakPolarHBondContact O-CA 3.42Å; H554-T563 PolarHBondContact CE1-OG1 3.45Å; H554-T563 PolarHBondContact ND1-OG1 3.35Å; T563-V565 HydrophobicContact CG2-CG2 4.03Å; T563-I686 PolarHBondContact N-O 2.94Å; T563-I686 PolarHBondContact O-N 2.61Å |
| 564 | V | 95 | Very high | 88.1 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 128.9 | -175.1 | -158.3 | 0 | 0 | 0 | 0 | 109.5 | I552 L553 Y683 C684 W685 Q725 I729 | I552-V564 WeakPolarHBondContact CA-O 3.16Å; L553-V564 HydrophobicContact CB-CB 4.4Å; L553-V564 PolarHBondContact N-O 3.34Å; L553-V564 PolarHBondContact O-N 2.81Å; V564-Y683 HydrophobicContact CG1-CD2 3.2Å; V564-Y683 HydrophobicContact CG1-CE2 3.34Å; V564-Y683 HydrophobicContact CG1-CG 3.98Å; V564-C684 CarbonylContact C-O 3.05Å; V564-C684 WeakPolarHBondContact CA-O 3.29Å; V564-C684 WeakPolarHBondContact CG1-O 3.2Å; V564-W685 HydrophobicContact CG1-CB 4.42Å; V564-W685 HydrophobicContact CG1-CG 4.45Å; V564-W685 HydrophobicContact CG2-CG 4.19Å; V564-Q725 HydrophobicContact CG1-CB 4.31Å; V564-Q725 HydrophobicContact CG1-CG 3.76Å; V564-I729 HydrophobicContact CG2-CD1 3.85Å; V564-I729 HydrophobicContact CG2-CG1 4.34Å |
| 565 | V | 95.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 130.7 | -165.8 | -173.3 | 0 | 0 | 0 | 0 | 111.5 | W190 T191 E550 Q551 I552 T563 Y683 C684 | W190-V565 HydrophobicContact CE3-CG1 3.9Å; W190-V565 HydrophobicContact CZ3-CG1 3.98Å; T191-V565 HydrophobicContact CG2-CG2 4.22Å; E550-V565 HydrophobicContact CG-CG1 3.47Å; E550-V565 VanDerWaalsContact CG-CG1 3.47Å; E550-V565 VanDerWaalsContact OE1-CG1 3.3Å; E550-V565 WeakPolarHBondContact OE1-CG1 3.22Å; Q551-V565 WeakPolarHBondContact O-CA 3.14Å; I552-V565 HydrophobicContact CB-CG2 4.39Å; I552-V565 HydrophobicContact CG1-CG1 4.08Å; I552-V565 HydrophobicContact CG1-CG2 4.04Å; I552-V565 HydrophobicContact CG2-CG2 4.1Å; T563-V565 HydrophobicContact CG2-CG2 4.03Å; V565-Y683 WeakPolarHBondContact O-CB 3.27Å; V565-C684 HydrophobicContact CB-CB 4.11Å; V565-C684 PolarHBondContact N-O 2.78Å; V565-C684 PolarHBondContact O-N 3.05Å |
| 566 | F | 96.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 124.5 | 177.6 | 176.3 | -130.2 | 0 | 0 | 0 | 110.4 | Q551 Q568 F699 M721 | Q551-F566 PolarHBondContact N-O 3.47Å; Q551-F566 PolarHBondContact O-N 2.91Å; F566-Q568 HydrophobicContact CD1-CG 4.14Å; F566-Q568 HydrophobicContact CE1-CG 3.54Å; F566-Q568 HydrophobicContact CE2-CG 4.34Å; F566-Q568 HydrophobicContact CZ-CG 3.65Å; F566-F699 HydrophobicContact CE2-CD2 4.01Å; F566-F699 HydrophobicContact CE2-CE2 4.19Å; F566-F699 AromaticContact CZ-CD2 3.71Å; F566-F699 HydrophobicContact CZ-CD2 3.71Å; F566-F699 AromaticContact CZ-CE2 3.85Å; F566-F699 HydrophobicContact CZ-CE2 3.85Å; F566-M721 HydrophobicContact CB-CG 3.91Å; F566-M721 HydrophobicContact CD1-CB 3.74Å; F566-M721 HydrophobicContact CD1-CG 3.72Å; F566-M721 HydrophobicContact CD2-CE 3.77Å; F566-M721 HydrophobicContact CD2-CG 4.05Å; F566-M721 HydrophobicContact CE1-CB 3.87Å; F566-M721 HydrophobicContact CE1-CG 4.17Å; F566-M721 HydrophobicContact CE2-CE 3.59Å; F566-M721 HydrophobicContact CE2-CG 4.48Å; F566-M721 HydrophobicContact CG-CB 4.21Å; F566-M721 HydrophobicContact CG-CE 4.35Å; F566-M721 HydrophobicContact CG-CG 3.65Å; F566-M721 HydrophobicContact CZ-CB 4.45Å; F566-M721 HydrophobicContact CZ-CE 4.02Å |
| 567 | L | 97 | Very high | 89 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.7 | 179.5 | -168.6 | 75.6 | 0 | 0 | 0 | 111.1 | W190 E548 E550 F612 Q695 | W190-L567 HydrophobicContact CB-CD1 4.29Å; W190-L567 HydrophobicContact CD2-CB 4.48Å; W190-L567 HydrophobicContact CD2-CD1 4.43Å; W190-L567 HydrophobicContact CD2-CD2 4.1Å; W190-L567 HydrophobicContact CE3-CB 4.27Å; W190-L567 HydrophobicContact CG-CD1 4.33Å; W190-L567 HydrophobicContact CG-CD2 4.25Å; W190-L567 HydrophobicContact CH2-CB 4.31Å; W190-L567 HydrophobicContact CZ2-CD2 4.2Å; W190-L567 HydrophobicContact CZ3-CB 4.18Å; E548-L567 HydrophobicContact CB-CD1 4.13Å; E548-L567 HydrophobicContact CG-CD1 4.1Å; E548-L567 HydrophobicContact CG-CD2 4.29Å; E548-L567 HydrophobicContact CG-CG 4.48Å; E550-L567 HydrophobicContact CB-CD1 3.87Å; E550-L567 HydrophobicContact CG-CD1 4.44Å; L567-F612 HydrophobicContact CD2-CZ 3.82Å; L567-Q695 PolarHBondContact O-NE2 3.15Å |
| 568 | Q | 95.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 142 | 171.6 | -62.5 | -175.8 | 72 | 0 | 0 | 110.6 | T549 F566 Q714 | T549-Q568 PolarHBondContact N-O 2.96Å; T549-Q568 PolarHBondContact O-N 3.49Å; F566-Q568 HydrophobicContact CD1-CG 4.14Å; F566-Q568 HydrophobicContact CE1-CG 3.54Å; F566-Q568 HydrophobicContact CE2-CG 4.34Å; F566-Q568 HydrophobicContact CZ-CG 3.65Å; Q568-Q714 HydrophobicContact CB-CG 4.44Å; Q568-Q714 PolarHBondContact NE2-O 3.25Å; Q568-Q714 VanDerWaalsContact OE1-CA 3.28Å; Q568-Q714 PolarHBondContact OE1-O 2.92Å |
| 569 | C | 95.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 155 | 177.8 | -76.2 | 0 | 0 | 0 | 0 | 112.4 | Y546 L698 F699 H700 V701 Q714 | Y546-C569 HydrophobicContact CE2-CB 4.34Å; Y546-C569 PolarHBondContact OH-SG 2.84Å; Y546-C569 VanDerWaalsContact OH-SG 3.33Å; C569-L698 HydrophobicContact CB-CD1 4.11Å; C569-L698 HydrophobicContact CB-CD2 4.06Å; C569-L698 HydrophobicContact CB-CG 4.34Å; C569-F699 PolarHBondContact N-O 3.45Å; C569-H700 WeakPolarHBondContact O-CA 3.36Å; C569-V701 PolarHBondContact O-N 3.19Å; C569-Q714 PolarHBondContact O-NE2 3.08Å; C569-Q714 VanDerWaalsContact O-NE2 3.16Å |
| 570 | R | 94.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 156.3 | 170.2 | 55 | 170.6 | 160.5 | 178.8 | -21.6 | 111.2 | Y546 V547 V701 C706 N711 | Y546-R570 CarbonylContact C-O 3.58Å; Y546-R570 WeakPolarHBondContact CA-O 3.09Å; V547-R570 HydrophobicContact CB-CG 3.91Å; V547-R570 PolarHBondContact N-O 3.38Å; V547-R570 PolarHBondContact O-N 3.07Å; R570-V701 VanDerWaalsContact CA-O 3.24Å; R570-V701 WeakPolarHBondContact CA-O 3.42Å; R570-V701 WeakPolarHBondContact CB-O 3.49Å; R570-C706 WeakPolarHBondContact CD-O 3.38Å; R570-C706 PolarHBondContact NH1-O 2.91Å; R570-C706 VanDerWaalsContact NH1-O 3.16Å; R570-N711 PolarHBondContact NH2-OD1 3.01Å |
| 571 | G | 91.5 | Very high | 90 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.4 | -176.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | C706 | G571-C706 WeakPolarHBondContact O-CB 3.41Å |
| 572 | S | 91.7 | Very high | 89 | Confident | 6 Ų | 6 | 10.5 Ų | 10.5 | 4% | 0.042 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -67.3 | 157.2 | 167.1 | -159.1 | 0 | 0 | 0 | 0 | 111 | G536 A544 W577 | G536-S572 PolarHBondContact N-OG 2.96Å; A544-S572 VanDerWaalsContact O-CB 3.26Å; A544-S572 WeakPolarHBondContact O-CB 3.44Å; A544-S572 PolarHBondContact O-N 3.45Å; A544-S572 VanDerWaalsContact O-N 3.16Å; S572-W577 VanDerWaalsContact OG-CZ2 3.23Å; S572-W577 WeakPolarHBondContact OG-CZ2 3.2Å |
| 573 | V | 92.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | trans | -57.3 | 130.5 | 174.5 | -174.9 | 0 | 0 | 0 | 0 | 109.4 | L575 W577 L621 L632 F636 | V573-L575 HydrophobicContact CG1-CD1 4.21Å; V573-L575 HydrophobicContact CG1-CG 4.21Å; V573-L575 PolarHBondContact O-N 3.39Å; V573-W577 HydrophobicContact CB-CZ2 4.43Å; V573-W577 HydrophobicContact CG2-CZ2 4.29Å; V573-W577 PolarHBondContact O-NE1 2.99Å; V573-W577 VanDerWaalsContact O-NE1 3.16Å; V573-L621 HydrophobicContact CG2-CD1 3.98Å; V573-L632 HydrophobicContact CB-CD1 4.32Å; V573-L632 HydrophobicContact CB-CD2 4.23Å; V573-L632 HydrophobicContact CB-CG 4.31Å; V573-L632 HydrophobicContact CG1-CD1 4.12Å; V573-L632 HydrophobicContact CG1-CG 4.2Å; V573-L632 HydrophobicContact CG2-CD2 3.75Å; V573-L632 HydrophobicContact CG2-CG 4.08Å; V573-F636 HydrophobicContact CG1-CB 3.87Å; V573-F636 HydrophobicContact CG1-CD1 3.95Å; V573-F636 HydrophobicContact CG1-CD2 3.87Å; V573-F636 HydrophobicContact CG1-CE1 4.42Å; V573-F636 HydrophobicContact CG1-CE2 4.37Å; V573-F636 HydrophobicContact CG1-CG 3.65Å | ||
| 574 | P | 93.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -77.4 | 56.4 | -171.5 | 32.8 | -38.3 | 0 | 0 | 0 | 113.7 | I537 V543 F601 Y604 W605 F636 | I537-P574 HydrophobicContact CD1-CB 4.05Å; V543-P574 HydrophobicContact CG1-CB 3.68Å; P574-F601 HydrophobicContact CB-CD2 4.47Å; P574-F601 HydrophobicContact CG-CD2 4.03Å; P574-F601 HydrophobicContact CG-CE2 4.15Å; P574-Y604 HydrophobicContact CB-CD1 3.6Å; P574-Y604 HydrophobicContact CB-CE1 4Å; P574-Y604 HydrophobicContact CB-CG 4.2Å; P574-Y604 HydrophobicContact CG-CD1 4.17Å; P574-Y604 HydrophobicContact CG-CE1 4.36Å; P574-W605 HydrophobicContact CG-CZ2 3.95Å; P574-F636 VanDerWaalsContact CD-CE2 3.47Å; P574-F636 HydrophobicContact CG-CD2 4.16Å; P574-F636 HydrophobicContact CG-CE2 3.46Å; P574-F636 VanDerWaalsContact CG-CE2 3.46Å; P574-F636 HydrophobicContact CG-CZ 4.16Å |
| 575 | L | 94.5 | Very high | 85.1 | Confident | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -135.6 | 165.1 | 178.4 | -63.5 | 179.9 | 0 | 0 | 0 | 110.4 | G536 I537 V573 W577 N597 F601 L632 A635 F636 H639 | G536-L575 CarbonylContact C-O 3.54Å; G536-L575 WeakPolarHBondContact CA-O 3.43Å; I537-L575 VanDerWaalsContact CG2-C 3.44Å; I537-L575 PolarHBondContact N-O 3.44Å; V573-L575 HydrophobicContact CG1-CD1 4.21Å; V573-L575 HydrophobicContact CG1-CG 4.21Å; V573-L575 PolarHBondContact O-N 3.39Å; L575-W577 VanDerWaalsContact O-CD1 3.24Å; L575-W577 PolarHBondContact O-N 3.12Å; L575-N597 HydrophobicContact CD2-CB 4.13Å; L575-F601 HydrophobicContact CD2-CD2 4.33Å; L575-L632 HydrophobicContact CD1-CD1 4.2Å; L575-A635 HydrophobicContact CD1-CB 3.74Å; L575-F636 HydrophobicContact CD1-CB 4.12Å; L575-H639 HydrophobicContact CD2-CB 4.05Å; L575-H639 WeakPolarHBondContact CD2-CD2 3.43Å |
| 576 | Y | 92.8 | Very high | 83.9 | Confident | 28 Ų | 28 | 18.8 Ų | 18.8 | 11% | 0.11 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -81.5 | 99.3 | 171.7 | -68.9 | -80.2 | 0 | 0 | 0 | 110.7 | I537 K539 L590 E591 K592 E596 N597 A600 | I537-Y576 HydrophobicContact CG2-CD1 4Å; I537-Y576 HydrophobicContact CG2-CD2 3.9Å; I537-Y576 HydrophobicContact CG2-CE1 4.07Å; I537-Y576 HydrophobicContact CG2-CE2 3.97Å; I537-Y576 HydrophobicContact CG2-CG 3.93Å; I537-Y576 WeakPolarHBondContact O-CD1 3.5Å; K539-Y576 VanDerWaalsContact CA-OH 3.24Å; K539-Y576 WeakPolarHBondContact CA-OH 3.32Å; K539-Y576 PolarHBondContact N-OH 3.43Å; Y576-L590 WeakPolarHBondContact O-CA 3.48Å; Y576-E591 PolarHBondContact O-N 2.91Å; Y576-K592 HydrophobicContact CD1-CG 3.86Å; Y576-K592 HydrophobicContact CD2-CB 3.7Å; Y576-K592 HydrophobicContact CD2-CG 3.66Å; Y576-K592 HydrophobicContact CE1-CG 4.38Å; Y576-K592 HydrophobicContact CE2-CB 4.44Å; Y576-K592 HydrophobicContact CE2-CG 4.2Å; Y576-K592 HydrophobicContact CG-CB 3.84Å; Y576-K592 HydrophobicContact CG-CG 3.44Å; Y576-K592 VanDerWaalsContact CG-CG 3.44Å; Y576-E596 HydrophobicContact CE2-CB 4.38Å; Y576-E596 WeakPolarHBondContact CE2-O 3.38Å; Y576-N597 PolarHBondContact N-OD1 3.35Å; Y576-A600 HydrophobicContact CE2-CB 3.71Å |
| 577 | W | 91.8 | Very high | 83 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 150.4 | 179.7 | 70.1 | -81.9 | 0 | 0 | 0 | 113.2 | R535 G536 S572 V573 L575 Q579 I588 L589 L590 L632 L704 | R535-W577 CarbonylContact C-O 3.55Å; R535-W577 HydrophobicContact CB-CD2 4.31Å; R535-W577 HydrophobicContact CB-CE3 4.34Å; R535-W577 HydrophobicContact CB-CH2 4.45Å; R535-W577 HydrophobicContact CB-CZ2 4.36Å; R535-W577 HydrophobicContact CB-CZ3 4.44Å; R535-W577 WeakPolarHBondContact CB-O 3.29Å; R535-W577 HydrophobicContact CG-CH2 4.42Å; R535-W577 HydrophobicContact CG-CZ3 4.48Å; R535-W577 VanDerWaalsContact NH1-CH2 3.31Å; G536-W577 VanDerWaalsContact CA-CD1 3.46Å; G536-W577 VanDerWaalsContact CA-NE1 3.33Å; S572-W577 VanDerWaalsContact OG-CZ2 3.23Å; S572-W577 WeakPolarHBondContact OG-CZ2 3.2Å; V573-W577 HydrophobicContact CB-CZ2 4.43Å; V573-W577 HydrophobicContact CG2-CZ2 4.29Å; V573-W577 PolarHBondContact O-NE1 2.99Å; V573-W577 VanDerWaalsContact O-NE1 3.16Å; L575-W577 VanDerWaalsContact O-CD1 3.24Å; L575-W577 PolarHBondContact O-N 3.12Å; W577-Q579 HydrophobicContact CE3-CG 4.46Å; W577-Q579 HydrophobicContact CZ3-CG 4.21Å; W577-I588 HydrophobicContact CE3-CG2 4.03Å; W577-L589 CarbonylContact C-O 3.54Å; W577-L589 WeakPolarHBondContact CA-O 3.2Å; W577-L589 WeakPolarHBondContact CB-O 3.26Å; W577-L590 HydrophobicContact CB-CD2 4Å; W577-L632 HydrophobicContact CB-CD1 4.09Å; W577-L632 HydrophobicContact CD2-CD1 4.01Å; W577-L632 HydrophobicContact CD2-CD2 3.76Å; W577-L632 HydrophobicContact CE3-CD2 3.92Å; W577-L632 HydrophobicContact CG-CD1 3.71Å; W577-L632 HydrophobicContact CG-CD2 4.36Å; W577-L632 HydrophobicContact CH2-CD2 3.8Å; W577-L632 HydrophobicContact CZ2-CD2 3.67Å; W577-L632 HydrophobicContact CZ3-CD2 3.91Å; W577-L704 HydrophobicContact CH2-CD1 3.58Å; W577-L704 HydrophobicContact CH2-CG 4.25Å; W577-L704 HydrophobicContact CZ3-CD1 3.58Å |
| 578 | S | 86.6 | Confident | 82.5 | Confident | 15 Ų | 15 | 22.9 Ų | 22.9 | 11% | 0.105 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 168.9 | -178.7 | 64.8 | 0 | 0 | 0 | 0 | 114.1 | L589 E591 | S578-L589 PolarHBondContact N-O 3.47Å; S578-L589 PolarHBondContact O-N 2.78Å; S578-E591 WeakPolarHBondContact CB-OE1 3.48Å; S578-E591 PolarHBondContact OG-OE1 2.75Å |
| 579 | Q | 81.5 | Confident | 82 | Confident | 15 Ų | 15 | 27 Ų | 27 | 7% | 0.07 | 15% | 0.145 | C | C | . | . | trans | -151.4 | 55.8 | -173.6 | -79.8 | -167.8 | -73.3 | 0 | 0 | 110.2 | W577 P586 I588 | W577-Q579 HydrophobicContact CE3-CG 4.46Å; W577-Q579 HydrophobicContact CZ3-CG 4.21Å; Q579-P586 HydrophobicContact CB-CB 4.26Å; Q579-P586 HydrophobicContact CB-CG 3.84Å; Q579-P586 HydrophobicContact CG-CG 4.45Å; Q579-P586 PolarHBondContact NE2-O 3.41Å; Q579-P586 WeakPolarHBondContact O-CG 3.33Å; Q579-I588 HydrophobicContact CG-CG1 4.05Å | ||
| 580 | T | 69 | Low | 81.6 | Confident | 54 Ų | 54 | 30.6 Ų | 30.6 | 33% | 0.331 | 16% | 0.164 | S | C | . | . | trans | -78.2 | -18.7 | -165.1 | 47.2 | 0 | 0 | 0 | 0 | 116.3 | E837 | T580-E837 PolarHBondContact OG1-OE1 3.5Š| ||
| 581 | S | 62.6 | Low | 81.2 | Confident | 12 Ų | 12 | 35.3 Ų | 35.3 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | trans | -71.6 | 153 | -167.3 | -157.1 | 0 | 0 | 0 | 0 | 114.1 | V583 R796 E837 | S581-V583 VanDerWaalsContact C-N 3.25Å; S581-V583 PolarHBondContact O-N 2.89Å; S581-R796 PolarHBondContact O-NH1 2.9Å; S581-E837 WeakPolarHBondContact CB-OE2 3.3Å; S581-E837 PolarHBondContact OG-OE2 3.06Å | ||
| 582 | L | 64.7 | Low | 81.1 | Confident | 36 Ų | 36 | 39.1 Ų | 39.1 | 19% | 0.188 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -82.4 | 4.5 | 175 | -60.1 | 173.9 | 0 | 0 | 0 | 113.5 | R796 L797 S830 V834 | L582-R796 HydrophobicContact CD2-CG 4.13Å; L582-L797 HydrophobicContact CD1-CD2 4.38Å; L582-L797 HydrophobicContact CD2-CD2 4.19Å; L582-S830 WeakPolarHBondContact CD1-O 3.38Å; L582-V834 HydrophobicContact CB-CG1 4.44Å; L582-V834 HydrophobicContact CB-CG2 3.8Å; L582-V834 HydrophobicContact CD1-CB 4.35Å; L582-V834 HydrophobicContact CD1-CG2 3.83Å; L582-V834 HydrophobicContact CG-CG2 3.62Å |
| 583 | V | 65.6 | Low | 80.9 | Confident | 64 Ų | 64 | 41.3 Ų | 41.3 | 39% | 0.388 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -60 | 136.2 | 163.5 | 177.3 | 0 | 0 | 0 | 0 | 108.6 | S581 N585 P586 R796 | S581-V583 VanDerWaalsContact C-N 3.25Å; S581-V583 PolarHBondContact O-N 2.89Å; V583-N585 VanDerWaalsContact C-N 3.33Å; V583-N585 PolarHBondContact O-N 3.15Å; V583-P586 WeakPolarHBondContact O-CD 3.45Å; V583-R796 PolarHBondContact O-NH1 3.22Å |
| 584 | Y | 62.9 | Low | 80.8 | Confident | 110 Ų | 110 | 46.2 Ų | 46.2 | 43% | 0.431 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -47.8 | -53.2 | -173.5 | -178.7 | -98.3 | 0 | 0 | 0 | 112.3 | P586 Y793 R796 | Y584-P586 VanDerWaalsContact O-CD 3.31Å; Y584-P586 WeakPolarHBondContact O-CD 3.36Å; Y584-Y793 AromaticContact CD2-CD2 3.73Å; Y584-Y793 HydrophobicContact CD2-CD2 3.73Å; Y584-Y793 HydrophobicContact CD2-CE2 4.25Å; Y584-Y793 HydrophobicContact CD2-CG 4.23Å; Y584-Y793 HydrophobicContact CE2-CD2 4.44Å; Y584-R796 PolarHBondContact O-NH1 3.26Å; Y584-R796 PolarHBondContact O-NH2 3.36Å |
| 585 | N | 70.3 | Confident | 80.7 | Confident | 46 Ų | 46 | 51.4 Ų | 51.4 | 25% | 0.246 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -106.2 | 94.9 | 167.7 | -76.6 | -0.1 | 0 | 0 | 0 | 110.3 | V583 E1317 | V583-N585 VanDerWaalsContact C-N 3.33Å; V583-N585 PolarHBondContact O-N 3.15Å; N585-E1317 PolarHBondContact ND2-OE2 3.26Å |
| 586 | P | 71.3 | Confident | 80.6 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 4% | 0.039 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 144.8 | 179.7 | 29 | -35.1 | 0 | 0 | 0 | 111.7 | Y532 Q579 V583 Y584 | Y532-P586 HydrophobicContact CD1-CG 3.94Å; Y532-P586 HydrophobicContact CE1-CG 4.03Å; Q579-P586 HydrophobicContact CB-CB 4.26Å; Q579-P586 HydrophobicContact CB-CG 3.84Å; Q579-P586 HydrophobicContact CG-CG 4.45Å; Q579-P586 PolarHBondContact NE2-O 3.41Å; Q579-P586 WeakPolarHBondContact O-CG 3.33Å; V583-P586 WeakPolarHBondContact O-CD 3.45Å; Y584-P586 VanDerWaalsContact O-CD 3.31Å; Y584-P586 WeakPolarHBondContact O-CD 3.36Å |
| 587 | P | 77.2 | Confident | 80.5 | Confident | 69 Ų | 69 | 53.2 Ų | 53.2 | 45% | 0.448 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 147.5 | 175.3 | 30.1 | -35.4 | 0 | 0 | 0 | 110.9 | ||
| 588 | I | 86 | Confident | 80.7 | Confident | 17 Ų | 17 | 54.4 Ų | 54.4 | 9% | 0.087 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 128.5 | 169.5 | -60.3 | 172.8 | 0 | 0 | 0 | 107.9 | W577 Q579 L632 L704 | W577-I588 HydrophobicContact CE3-CG2 4.03Å; Q579-I588 HydrophobicContact CG-CG1 4.05Å; I588-L632 HydrophobicContact CD1-CB 4.34Å; I588-L632 HydrophobicContact CG2-CB 4.41Å; I588-L704 HydrophobicContact CD1-CD1 3.47Å; I588-L704 VanDerWaalsContact CD1-CD1 3.47Å; I588-L704 HydrophobicContact CG1-CD1 4.08Å |
| 589 | L | 84.9 | Confident | 81 | Confident | 89 Ų | 89 | 59.1 Ų | 59.1 | 47% | 0.466 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131.3 | 174 | -57.4 | 177.3 | 0 | 0 | 0 | 108.7 | W577 S578 | W577-L589 CarbonylContact C-O 3.54Å; W577-L589 WeakPolarHBondContact CA-O 3.2Å; W577-L589 WeakPolarHBondContact CB-O 3.26Å; S578-L589 PolarHBondContact N-O 3.47Å; S578-L589 PolarHBondContact O-N 2.78Å |
| 590 | L | 88.9 | Confident | 81.6 | Confident | 75 Ų | 75 | 58.5 Ų | 58.5 | 39% | 0.393 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 124.3 | 166.8 | -60.1 | 178.5 | 0 | 0 | 0 | 107.6 | Y576 W577 I631 L632 A635 | Y576-L590 WeakPolarHBondContact O-CA 3.48Å; W577-L590 HydrophobicContact CB-CD2 4Å; L590-I631 HydrophobicContact CD1-CG2 4.24Å; L590-I631 HydrophobicContact CG-CG2 4.45Å; L590-L632 HydrophobicContact CD2-CD1 4.07Å; L590-A635 HydrophobicContact CD1-CB 3.98Å; L590-A635 HydrophobicContact CD2-CB 4.47Å |
| 591 | E | 85.8 | Confident | 82.8 | Confident | 99 Ų | 99 | 55.9 Ų | 55.9 | 46% | 0.463 | 29% | 0.289 | S | S | . | . | trans | -92.7 | -18.2 | -165.7 | -53.7 | -174.8 | 131.5 | 0 | 0 | 114 | Y576 S578 | Y576-E591 PolarHBondContact O-N 2.91Å; S578-E591 WeakPolarHBondContact CB-OE1 3.48Å; S578-E591 PolarHBondContact OG-OE1 2.75Å | ||
| 592 | K | 89.3 | Confident | 84.4 | Confident | 80 Ų | 80 | 59 Ų | 59 | 35% | 0.348 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -136.1 | 163.2 | -166.5 | -68 | -56.1 | -148.6 | 153.6 | 0 | 113.4 | Y576 E596 N597 | Y576-K592 HydrophobicContact CD1-CG 3.86Å; Y576-K592 HydrophobicContact CD2-CB 3.7Å; Y576-K592 HydrophobicContact CD2-CG 3.66Å; Y576-K592 HydrophobicContact CE1-CG 4.38Å; Y576-K592 HydrophobicContact CE2-CB 4.44Å; Y576-K592 HydrophobicContact CE2-CG 4.2Å; Y576-K592 HydrophobicContact CG-CB 3.84Å; Y576-K592 HydrophobicContact CG-CG 3.44Å; Y576-K592 VanDerWaalsContact CG-CG 3.44Å; K592-E596 HydrophobicContact CB-CB 4.11Å; K592-E596 WeakPolarHBondContact CD-OE1 3.36Å; K592-E596 VanDerWaalsContact CE-OE1 3.25Å; K592-E596 WeakPolarHBondContact CE-OE1 3.43Å; K592-E596 IonicContact NZ-OE1 2.64Å; K592-E596 PolarHBondContact NZ-OE1 2.73Å; K592-N597 PolarHBondContact O-ND2 3.27Å; K592-N597 VanDerWaalsContact O-ND2 3.11Å |
| 593 | S | 87.7 | Confident | 85.8 | Confident | 52 Ų | 52 | 60.9 Ų | 60.9 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | trans | -65.7 | 163.2 | 176.3 | 66.1 | 0 | 0 | 0 | 0 | 112.8 | T595 E596 N597 | S593-T595 VanDerWaalsContact C-N 3.3Å; S593-T595 PolarHBondContact O-N 2.84Å; S593-T595 PolarHBondContact OG-OG1 2.99Å; S593-E596 WeakPolarHBondContact CB-OE2 3.4Å; S593-E596 PolarHBondContact N-OE2 3.41Å; S593-E596 PolarHBondContact O-N 3.45Å; S593-E596 VanDerWaalsContact OG-CG 3.29Å; S593-E596 WeakPolarHBondContact OG-CG 3.41Å; S593-E596 PolarHBondContact OG-N 3.46Å; S593-E596 PolarHBondContact OG-OE2 3.49Å; S593-N597 PolarHBondContact O-N 3.37Å; S593-N597 VanDerWaalsContact O-N 3.08Å; S593-N597 PolarHBondContact O-ND2 3.46Å | ||
| 594 | Q | 89.9 | Confident | 87.2 | Confident | 102 Ų | 102 | 58.2 Ų | 58.2 | 48% | 0.477 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.5 | -34.7 | 179.5 | -167.6 | 175.6 | -65.5 | 0 | 0 | 112.3 | Q598 H639 L642 | Q594-Q598 PolarHBondContact O-N 3.08Å; Q594-H639 PolarHBondContact O-CE1 2.87Å; Q594-H639 VanDerWaalsContact O-CE1 3.24Å; Q594-L642 HydrophobicContact CG-CD1 4.3Å |
| 595 | T | 91.4 | Very high | 88.7 | Confident | 110 Ų | 110 | 53.3 Ų | 53.3 | 68% | 0.675 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -68.6 | -48.2 | 178.4 | 44.5 | 0 | 0 | 0 | 0 | 111.9 | S593 N597 Q598 E599 | S593-T595 VanDerWaalsContact C-N 3.3Å; S593-T595 PolarHBondContact O-N 2.84Å; S593-T595 PolarHBondContact OG-OG1 2.99Å; T595-N597 VanDerWaalsContact C-N 3.3Å; T595-N597 PolarHBondContact O-N 3.36Å; T595-Q598 PolarHBondContact O-N 2.84Å; T595-E599 PolarHBondContact O-N 2.96Å |
| 596 | E | 91.9 | Very high | 89.8 | Confident | 60 Ų | 60 | 54.1 Ų | 54.1 | 28% | 0.28 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.5 | -41.4 | 175 | -69.9 | 169.1 | 107.6 | 0 | 0 | 112.1 | Y576 K592 S593 A600 | Y576-E596 HydrophobicContact CE2-CB 4.38Å; Y576-E596 WeakPolarHBondContact CE2-O 3.38Å; K592-E596 HydrophobicContact CB-CB 4.11Å; K592-E596 WeakPolarHBondContact CD-OE1 3.36Å; K592-E596 VanDerWaalsContact CE-OE1 3.25Å; K592-E596 WeakPolarHBondContact CE-OE1 3.43Å; K592-E596 IonicContact NZ-OE1 2.64Å; K592-E596 PolarHBondContact NZ-OE1 2.73Å; S593-E596 WeakPolarHBondContact CB-OE2 3.4Å; S593-E596 PolarHBondContact N-OE2 3.41Å; S593-E596 PolarHBondContact O-N 3.45Å; S593-E596 VanDerWaalsContact OG-CG 3.29Å; S593-E596 WeakPolarHBondContact OG-CG 3.41Å; S593-E596 PolarHBondContact OG-N 3.46Å; S593-E596 PolarHBondContact OG-OE2 3.49Å; E596-A600 PolarHBondContact O-N 3.43Å |
| 597 | N | 92.3 | Very high | 90.7 | Very high | 6 Ų | 6 | 57.9 Ų | 57.9 | 3% | 0.032 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.4 | -46 | 175.3 | -84.1 | -78.2 | 0 | 0 | 0 | 111.7 | L575 Y576 K592 S593 T595 E599 A600 F601 H639 | L575-N597 HydrophobicContact CD2-CB 4.13Å; Y576-N597 PolarHBondContact N-OD1 3.35Å; K592-N597 PolarHBondContact O-ND2 3.27Å; K592-N597 VanDerWaalsContact O-ND2 3.11Å; S593-N597 PolarHBondContact O-N 3.37Å; S593-N597 VanDerWaalsContact O-N 3.08Å; S593-N597 PolarHBondContact O-ND2 3.46Å; T595-N597 VanDerWaalsContact C-N 3.3Å; T595-N597 PolarHBondContact O-N 3.36Å; N597-E599 VanDerWaalsContact C-N 3.35Å; N597-E599 PolarHBondContact O-N 2.95Å; N597-A600 PolarHBondContact O-N 2.89Å; N597-F601 WeakPolarHBondContact O-CB 3.46Å; N597-F601 PolarHBondContact O-N 3.15Å; N597-H639 VanDerWaalsContact CB-CE1 3.48Å; N597-H639 WeakPolarHBondContact CB-CE1 3.07Å; N597-H639 WeakPolarHBondContact CB-NE2 3.13Å |
| 598 | Q | 94.1 | Very high | 91.4 | Very high | 26 Ų | 26 | 55 Ų | 55 | 12% | 0.121 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.7 | -39.5 | -179.5 | -164.2 | 67.3 | 47.1 | 0 | 0 | 112.3 | Q594 T595 F601 N602 H639 | Q594-Q598 PolarHBondContact O-N 3.08Å; T595-Q598 PolarHBondContact O-N 2.84Å; Q598-F601 PolarHBondContact O-N 3.34Å; Q598-N602 PolarHBondContact NE2-OD1 3.21Å; Q598-N602 WeakPolarHBondContact O-CB 3.4Å; Q598-N602 PolarHBondContact O-N 3.45Å; Q598-N602 PolarHBondContact O-OD1 3.1Å; Q598-H639 PolarHBondContact NE2-O 3.22Å; Q598-H639 PolarHBondContact OE1-ND1 2.98Å; Q598-H639 PolarHBondContact OE1-O 3.1Å |
| 599 | E | 93.7 | Very high | 91.7 | Very high | 113 Ų | 113 | 56.7 Ų | 56.7 | 53% | 0.528 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.6 | -47.2 | 178.3 | -165 | -158 | 143.3 | 0 | 0 | 111.5 | T595 N597 K603 | T595-E599 PolarHBondContact O-N 2.96Å; N597-E599 VanDerWaalsContact C-N 3.35Å; N597-E599 PolarHBondContact O-N 2.95Å; E599-K603 VanDerWaalsContact O-CG 3.32Å; E599-K603 WeakPolarHBondContact O-CG 3.35Å; E599-K603 PolarHBondContact O-N 2.71Å; E599-K603 VanDerWaalsContact O-N 3.12Å; E599-K603 WeakPolarHBondContact OE1-CE 3.36Å; E599-K603 IonicContact OE1-NZ 2.71Å; E599-K603 PolarHBondContact OE1-NZ 3.44Å |
| 600 | A | 94.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 60 Ų | 60 | 2% | 0.017 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I537 Y576 E596 N597 K603 Y604 | I537-A600 HydrophobicContact CD1-CB 3.92Å; I537-A600 VanDerWaalsContact CD1-O 3.3Å; I537-A600 WeakPolarHBondContact CD1-O 3.49Å; I537-A600 HydrophobicContact CG1-CB 4.34Å; I537-A600 HydrophobicContact CG2-CB 3.86Å; Y576-A600 HydrophobicContact CE2-CB 3.71Å; E596-A600 PolarHBondContact O-N 3.43Å; N597-A600 PolarHBondContact O-N 2.89Å; A600-K603 PolarHBondContact O-N 3.22Å; A600-Y604 PolarHBondContact O-N 2.99Å |
| 601 | F | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.5 | -48.1 | 175.5 | 178.7 | -80.5 | 0 | 0 | 0 | 111.5 | P574 L575 N597 Q598 K603 Y604 W605 F636 H639 I640 L648 | P574-F601 HydrophobicContact CB-CD2 4.47Å; P574-F601 HydrophobicContact CG-CD2 4.03Å; P574-F601 HydrophobicContact CG-CE2 4.15Å; L575-F601 HydrophobicContact CD2-CD2 4.33Å; N597-F601 WeakPolarHBondContact O-CB 3.46Å; N597-F601 PolarHBondContact O-N 3.15Å; Q598-F601 PolarHBondContact O-N 3.34Å; F601-K603 VanDerWaalsContact C-N 3.34Å; F601-K603 PolarHBondContact O-N 2.88Å; F601-Y604 WeakPolarHBondContact O-CB 3.44Å; F601-Y604 PolarHBondContact O-N 2.58Å; F601-Y604 VanDerWaalsContact O-N 3.14Å; F601-W605 AromaticContact CD1-CD1 3.6Å; F601-W605 AromaticContact CD1-NE1 3.86Å; F601-W605 AromaticContact CD2-NE1 3.81Å; F601-W605 AromaticContact CE1-CD1 3.32Å; F601-W605 AromaticContact CE1-NE1 3.4Å; F601-W605 AromaticContact CE2-NE1 3.39Å; F601-W605 AromaticContact CZ-CD1 3.62Å; F601-W605 AromaticContact CZ-NE1 3.14Å; F601-W605 VanDerWaalsContact O-CD1 3.24Å; F601-W605 PolarHBondContact O-N 3.21Å; F601-F636 AromaticContact CE2-CD2 3.93Å; F601-F636 HydrophobicContact CE2-CD2 3.93Å; F601-F636 AromaticContact CE2-CE2 3.8Å; F601-F636 HydrophobicContact CE2-CE2 3.8Å; F601-H639 HydrophobicContact CD2-CB 3.78Å; F601-H639 WeakPolarHBondContact CE1-O 3.41Å; F601-H639 HydrophobicContact CE2-CB 3.87Å; F601-H639 HydrophobicContact CG-CB 4.17Å; F601-H639 HydrophobicContact CZ-CB 4.36Å; F601-I640 HydrophobicContact CE2-CG1 4.01Å; F601-I640 HydrophobicContact CZ-CB 4.28Å; F601-I640 HydrophobicContact CZ-CG1 3.6Å; F601-L648 HydrophobicContact CE1-CD2 4.16Å; F601-L648 HydrophobicContact CZ-CD2 4.07Å |
| 602 | N | 94.6 | Very high | 91.9 | Very high | 76 Ų | 76 | 55 Ų | 55 | 41% | 0.406 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 177.9 | -70.8 | 4.2 | 0 | 0 | 0 | 110.9 | Q598 Y604 W605 S606 | Q598-N602 PolarHBondContact NE2-OD1 3.21Å; Q598-N602 WeakPolarHBondContact O-CB 3.4Å; Q598-N602 PolarHBondContact O-N 3.45Å; Q598-N602 PolarHBondContact O-OD1 3.1Å; N602-Y604 VanDerWaalsContact C-N 3.27Å; N602-Y604 PolarHBondContact O-N 2.79Å; N602-W605 PolarHBondContact O-N 3.18Å; N602-S606 VanDerWaalsContact O-CB 3.3Å; N602-S606 WeakPolarHBondContact O-CB 3.45Å; N602-S606 PolarHBondContact O-N 2.87Å; N602-S606 PolarHBondContact O-OG 3.26Å |
| 603 | K | 94.3 | Very high | 92 | Very high | 77 Ų | 77 | 55.1 Ų | 55.1 | 34% | 0.335 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.7 | -25.6 | 174.9 | -75.1 | 168.3 | 169.1 | 175.3 | 0 | 114.4 | E599 A600 F601 S606 R607 | E599-K603 VanDerWaalsContact O-CG 3.32Å; E599-K603 WeakPolarHBondContact O-CG 3.35Å; E599-K603 PolarHBondContact O-N 2.71Å; E599-K603 VanDerWaalsContact O-N 3.12Å; E599-K603 WeakPolarHBondContact OE1-CE 3.36Å; E599-K603 IonicContact OE1-NZ 2.71Å; E599-K603 PolarHBondContact OE1-NZ 3.44Å; A600-K603 PolarHBondContact O-N 3.22Å; F601-K603 VanDerWaalsContact C-N 3.34Å; F601-K603 PolarHBondContact O-N 2.88Å; K603-S606 PolarHBondContact O-OG 2.92Å; K603-R607 PolarHBondContact O-NH1 2.78Å |
| 604 | Y | 94.4 | Very high | 92.3 | Very high | 8 Ų | 8 | 57 Ų | 57 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -75 | -50.3 | 176.5 | 178.8 | -118.9 | 0 | 0 | 0 | 111.4 | G541 V543 Y546 P574 A600 F601 N602 H608 H700 | G541-Y604 WeakPolarHBondContact O-CB 3.5Å; G541-Y604 VanDerWaalsContact O-CD2 3.22Å; G541-Y604 WeakPolarHBondContact O-CD2 2.99Å; V543-Y604 HydrophobicContact CB-CE2 4.2Å; V543-Y604 HydrophobicContact CG1-CD1 4.28Å; V543-Y604 HydrophobicContact CG1-CD2 3.89Å; V543-Y604 HydrophobicContact CG1-CE1 4.07Å; V543-Y604 HydrophobicContact CG1-CE2 3.64Å; V543-Y604 HydrophobicContact CG1-CG 4.18Å; V543-Y604 HydrophobicContact CG2-CE2 3.65Å; V543-Y604 WeakPolarHBondContact CG2-OH 3.35Å; Y546-Y604 HydrophobicContact CD2-CE2 4.37Å; Y546-Y604 WeakPolarHBondContact CD2-OH 3.02Å; Y546-Y604 HydrophobicContact CE2-CE2 4.43Å; Y546-Y604 WeakPolarHBondContact CE2-OH 3.31Å; P574-Y604 HydrophobicContact CB-CD1 3.6Å; P574-Y604 HydrophobicContact CB-CE1 4Å; P574-Y604 HydrophobicContact CB-CG 4.2Å; P574-Y604 HydrophobicContact CG-CD1 4.17Å; P574-Y604 HydrophobicContact CG-CE1 4.36Å; A600-Y604 PolarHBondContact O-N 2.99Å; F601-Y604 WeakPolarHBondContact O-CB 3.44Å; F601-Y604 PolarHBondContact O-N 2.58Å; F601-Y604 VanDerWaalsContact O-N 3.14Å; N602-Y604 VanDerWaalsContact C-N 3.27Å; N602-Y604 PolarHBondContact O-N 2.79Å; Y604-H608 AromaticContact CD2-CE1 3.91Å; Y604-H608 AromaticContact CE2-CE1 3.41Å; Y604-H608 VanDerWaalsContact CE2-CE1 3.41Å; Y604-H608 WeakPolarHBondContact CE2-CE1 3.29Å; Y604-H608 AromaticContact CZ-CE1 3.5Å; Y604-H608 PolarHBondContact O-ND1 3.38Å; Y604-H700 AromaticContact CE1-NE2 3.88Å; Y604-H700 AromaticContact CZ-NE2 3.74Å; Y604-H700 PolarHBondContact OH-CD2 2.67Å; Y604-H700 PolarHBondContact OH-NE2 2.77Å |
| 605 | W | 94.9 | Very high | 92.5 | Very high | 6 Ų | 6 | 52.2 Ų | 52.2 | 2% | 0.023 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -74.4 | -33.4 | -177.9 | -59.8 | 118.7 | 0 | 0 | 0 | 112.7 | P574 F601 N602 R607 H608 F609 I615 I617 F636 L648 H700 | P574-W605 HydrophobicContact CG-CZ2 3.95Å; F601-W605 AromaticContact CD1-CD1 3.6Å; F601-W605 AromaticContact CD1-NE1 3.86Å; F601-W605 AromaticContact CD2-NE1 3.81Å; F601-W605 AromaticContact CE1-CD1 3.32Å; F601-W605 AromaticContact CE1-NE1 3.4Å; F601-W605 AromaticContact CE2-NE1 3.39Å; F601-W605 AromaticContact CZ-CD1 3.62Å; F601-W605 AromaticContact CZ-NE1 3.14Å; F601-W605 VanDerWaalsContact O-CD1 3.24Å; F601-W605 PolarHBondContact O-N 3.21Å; N602-W605 PolarHBondContact O-N 3.18Å; W605-R607 PolarHBondContact O-N 3.37Å; W605-R607 VanDerWaalsContact O-N 3.13Å; W605-H608 PolarHBondContact O-N 3.31Å; W605-F609 HydrophobicContact CB-CD2 4.17Å; W605-F609 HydrophobicContact CB-CE2 3.82Å; W605-F609 WeakPolarHBondContact O-CD2 3.38Å; W605-F609 PolarHBondContact O-N 3.17Å; W605-I615 HydrophobicContact CE3-CD1 3.83Å; W605-I615 HydrophobicContact CE3-CG2 4.27Å; W605-I615 HydrophobicContact CZ3-CD1 4.35Å; W605-I615 HydrophobicContact CZ3-CG2 3.81Å; W605-I617 HydrophobicContact CH2-CD1 3.95Å; W605-I617 HydrophobicContact CH2-CG1 3.73Å; W605-I617 HydrophobicContact CZ2-CD1 3.52Å; W605-I617 HydrophobicContact CZ2-CG1 3.87Å; W605-F636 HydrophobicContact CZ2-CE2 4.47Å; W605-L648 HydrophobicContact CD2-CD1 3.85Å; W605-L648 HydrophobicContact CD2-CD2 4.29Å; W605-L648 HydrophobicContact CE3-CD1 3.97Å; W605-L648 HydrophobicContact CG-CD1 4.27Å; W605-L648 HydrophobicContact CG-CD2 4.08Å; W605-L648 HydrophobicContact CZ2-CD1 4.41Å; W605-L648 HydrophobicContact CZ3-CD1 4.32Å; W605-H700 HydrophobicContact CH2-CB 4.29Å; W605-H700 AromaticContact CH2-CG 3.76Å; W605-H700 AromaticContact CH2-ND1 3.75Å; W605-H700 HydrophobicContact CZ3-CB 4.31Å |
| 606 | S | 92.9 | Very high | 92.6 | Very high | 63 Ų | 63 | 47.4 Ų | 47.4 | 44% | 0.441 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.1 | -28.3 | 177.5 | 70.2 | 0 | 0 | 0 | 0 | 113.6 | N602 K603 Q610 | N602-S606 VanDerWaalsContact O-CB 3.3Å; N602-S606 WeakPolarHBondContact O-CB 3.45Å; N602-S606 PolarHBondContact O-N 2.87Å; N602-S606 PolarHBondContact O-OG 3.26Å; K603-S606 PolarHBondContact O-OG 2.92Å; S606-Q610 WeakPolarHBondContact O-CG 3.36Å |
| 607 | R | 90.9 | Very high | 92.8 | Very high | 86 Ų | 86 | 44.5 Ų | 44.5 | 33% | 0.325 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -72.7 | -42.5 | 171.7 | -69.9 | -177 | 178.8 | 91.1 | -15.8 | 112.5 | N540 H542 K603 W605 F609 Q610 | N540-R607 VanDerWaalsContact O-CZ 3.28Å; N540-R607 PolarHBondContact O-NH1 3.19Å; N540-R607 PolarHBondContact O-NH2 2.79Å; H542-R607 PolarHBondContact NE2-NH2 2.87Å; K603-R607 PolarHBondContact O-NH1 2.78Å; W605-R607 PolarHBondContact O-N 3.37Å; W605-R607 VanDerWaalsContact O-N 3.13Å; R607-F609 VanDerWaalsContact C-N 3.27Å; R607-F609 PolarHBondContact O-N 3.06Å; R607-Q610 VanDerWaalsContact O-CB 3.31Å; R607-Q610 WeakPolarHBondContact O-CB 3.35Å; R607-Q610 PolarHBondContact O-N 3.42Å |
| 608 | H | 91.9 | Very high | 92.9 | Very high | 8 Ų | 8 | 44.2 Ų | 44.2 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.1 | -33.5 | 179.1 | -69.3 | 81.9 | 0 | 0 | 0 | 111.6 | Y546 Y604 W605 Q610 E611 F612 I615 | Y546-H608 AromaticContact CE2-CE1 3.87Å; Y546-H608 AromaticContact CE2-NE2 3.31Å; Y546-H608 VanDerWaalsContact CE2-NE2 3.31Å; Y546-H608 WeakPolarHBondContact CE2-NE2 3.35Å; Y546-H608 AromaticContact CZ-NE2 3.47Å; Y546-H608 PolarHBondContact OH-NE2 3.45Å; Y604-H608 AromaticContact CD2-CE1 3.91Å; Y604-H608 AromaticContact CE2-CE1 3.41Å; Y604-H608 VanDerWaalsContact CE2-CE1 3.41Å; Y604-H608 WeakPolarHBondContact CE2-CE1 3.29Å; Y604-H608 AromaticContact CZ-CE1 3.5Å; Y604-H608 PolarHBondContact O-ND1 3.38Å; W605-H608 PolarHBondContact O-N 3.31Å; H608-Q610 PolarHBondContact O-N 3.33Å; H608-E611 PolarHBondContact O-N 3.35Å; H608-F612 PolarHBondContact O-N 3.37Å; H608-I615 HydrophobicContact CB-CD1 3.32Å; H608-I615 HydrophobicContact CB-CG1 4.41Å |
| 609 | F | 92.9 | Very high | 92.8 | Very high | 52 Ų | 52 | 43 Ų | 43 | 23% | 0.228 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -2 | 172.3 | -65.6 | -56.8 | 0 | 0 | 0 | 114.7 | W605 R607 I615 N645 H647 L648 | W605-F609 HydrophobicContact CB-CD2 4.17Å; W605-F609 HydrophobicContact CB-CE2 3.82Å; W605-F609 WeakPolarHBondContact O-CD2 3.38Å; W605-F609 PolarHBondContact O-N 3.17Å; R607-F609 VanDerWaalsContact C-N 3.27Å; R607-F609 PolarHBondContact O-N 3.06Å; F609-I615 HydrophobicContact CD1-CD1 3.87Å; F609-I615 HydrophobicContact CD1-CG1 4.2Å; F609-I615 HydrophobicContact CD2-CD1 4.35Å; F609-I615 HydrophobicContact CE1-CB 4.34Å; F609-I615 HydrophobicContact CE1-CD1 3.52Å; F609-I615 HydrophobicContact CE1-CG1 3.66Å; F609-I615 HydrophobicContact CE2-CD1 4.04Å; F609-I615 HydrophobicContact CG-CD1 4.26Å; F609-I615 HydrophobicContact CZ-CB 4.48Å; F609-I615 HydrophobicContact CZ-CD1 3.61Å; F609-I615 HydrophobicContact CZ-CG1 4.09Å; F609-N645 WeakPolarHBondContact CE2-ND2 3.27Å; F609-H647 HydrophobicContact CD1-CB 4.17Å; F609-H647 HydrophobicContact CE1-CB 3.45Å; F609-H647 VanDerWaalsContact CE1-CB 3.45Å; F609-H647 HydrophobicContact CZ-CB 3.89Å; F609-L648 HydrophobicContact CZ-CB 4.03Å; F609-L648 HydrophobicContact CZ-CD1 4.14Å |
| 610 | Q | 87.9 | Confident | 92.7 | Very high | 158 Ų | 158 | 37.6 Ų | 37.6 | 74% | 0.738 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -15.5 | 165.6 | -64 | 167.1 | -30 | 0 | 0 | 112.2 | S606 R607 H608 | S606-Q610 WeakPolarHBondContact O-CG 3.36Å; R607-Q610 VanDerWaalsContact O-CB 3.31Å; R607-Q610 WeakPolarHBondContact O-CB 3.35Å; R607-Q610 PolarHBondContact O-N 3.42Å; H608-Q610 PolarHBondContact O-N 3.33Å |
| 611 | E | 84.1 | Confident | 92.4 | Very high | 63 Ų | 63 | 37.6 Ų | 37.6 | 29% | 0.294 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -29.8 | -177.1 | -63.2 | 177.3 | -152.8 | 0 | 0 | 112.8 | R193 R243 H608 | R193-E611 IonicContact CZ-OE1 3.86Å; R193-E611 IonicContact CZ-OE2 3.41Å; R193-E611 IonicContact NH1-OE1 3.72Å; R193-E611 PolarHBondContact NH1-OE1 3.44Å; R193-E611 IonicContact NH1-OE2 3.6Å; R193-E611 PolarHBondContact NH1-OE2 3.18Å; R193-E611 VanDerWaalsContact NH1-OE2 3.14Å; R193-E611 IonicContact NH2-OE1 2.83Å; R193-E611 IonicContact NH2-OE2 3.94Å; R193-E611 PolarHBondContact NH2-OE2 3.04Å; R243-E611 IonicContact CZ-OE1 2.68Å; R243-E611 IonicContact NH1-OE1 3.79Å; R243-E611 IonicContact NH2-OE1 3.33Å; H608-E611 PolarHBondContact O-N 3.35Å |
| 612 | F | 92.1 | Very high | 91.8 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | trans | -133.4 | 135.4 | -171.6 | -58.5 | -76.8 | 0 | 0 | 0 | 112.1 | W190 L567 H608 R696 L698 | W190-F612 HydrophobicContact CZ2-CE1 4.23Å; W190-F612 HydrophobicContact CZ2-CZ 4.21Å; L567-F612 HydrophobicContact CD2-CZ 3.82Å; H608-F612 PolarHBondContact O-N 3.37Å; F612-R696 CarbonylContact C-O 3.51Å; F612-R696 WeakPolarHBondContact CA-O 3.33Å; F612-R696 WeakPolarHBondContact CB-O 3.47Å; F612-L698 HydrophobicContact CB-CB 4.2Å; F612-L698 HydrophobicContact CD1-CB 3.98Å; F612-L698 HydrophobicContact CD2-CB 3.92Å; F612-L698 HydrophobicContact CD2-CD2 3.79Å; F612-L698 HydrophobicContact CD2-CG 4.36Å; F612-L698 HydrophobicContact CE1-CB 4.41Å; F612-L698 HydrophobicContact CE2-CB 4.36Å; F612-L698 HydrophobicContact CE2-CD1 4.41Å; F612-L698 HydrophobicContact CE2-CD2 3.86Å; F612-L698 HydrophobicContact CE2-CG 4.44Å; F612-L698 HydrophobicContact CG-CB 3.73Å; F612-L698 HydrophobicContact CG-CD2 4.47Å; F612-L698 HydrophobicContact CZ-CD1 4.34Å | ||
| 613 | E | 91.6 | Very high | 91 | Very high | 83 Ų | 83 | 36.6 Ų | 36.6 | 39% | 0.388 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -65.5 | -36.5 | 179.5 | -173.6 | -160.8 | 105 | 0 | 0 | 112.2 | H647 R696 W697 | E613-H647 PolarHBondContact O-ND1 2.81Å; E613-R696 HydrophobicContact CB-CB 4.13Å; E613-R696 PolarHBondContact N-O 3.09Å; E613-R696 VanDerWaalsContact OE2-CD 3.3Å; E613-R696 WeakPolarHBondContact OE2-CD 3.32Å; E613-R696 IonicContact OE2-NH1 3.73Å; E613-W697 PolarHBondContact OE1-NE1 2.9Å |
| 614 | R | 93.2 | Very high | 90.1 | Very high | 90 Ų | 90 | 34.3 Ų | 34.3 | 34% | 0.34 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 152.6 | 178.8 | -67.8 | -177.5 | 173.9 | -95.1 | -2.7 | 111.4 | E646 H647 W697 L698 | R614-E646 PolarHBondContact NH1-O 3.39Å; R614-H647 WeakPolarHBondContact CA-O 3.38Å; R614-H647 HydrophobicContact CG-CB 4.23Å; R614-W697 HydrophobicContact CB-CD2 3.97Å; R614-W697 HydrophobicContact CB-CG 3.89Å; R614-W697 VanDerWaalsContact CD-CZ2 3.48Å; R614-W697 CarbonylContact O-C 3.3Å; R614-W697 VanDerWaalsContact O-CA 3.23Å; R614-W697 WeakPolarHBondContact O-CA 3.42Å; R614-L698 PolarHBondContact O-N 3.02Å |
| 615 | I | 94.4 | Very high | 88.8 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 130.8 | -177.7 | -55.1 | 169.9 | 0 | 0 | 0 | 108.8 | W605 H608 F609 H647 L648 A649 H700 | W605-I615 HydrophobicContact CE3-CD1 3.83Å; W605-I615 HydrophobicContact CE3-CG2 4.27Å; W605-I615 HydrophobicContact CZ3-CD1 4.35Å; W605-I615 HydrophobicContact CZ3-CG2 3.81Å; H608-I615 HydrophobicContact CB-CD1 3.32Å; H608-I615 HydrophobicContact CB-CG1 4.41Å; F609-I615 HydrophobicContact CD1-CD1 3.87Å; F609-I615 HydrophobicContact CD1-CG1 4.2Å; F609-I615 HydrophobicContact CD2-CD1 4.35Å; F609-I615 HydrophobicContact CE1-CB 4.34Å; F609-I615 HydrophobicContact CE1-CD1 3.52Å; F609-I615 HydrophobicContact CE1-CG1 3.66Å; F609-I615 HydrophobicContact CE2-CD1 4.04Å; F609-I615 HydrophobicContact CG-CD1 4.26Å; F609-I615 HydrophobicContact CZ-CB 4.48Å; F609-I615 HydrophobicContact CZ-CD1 3.61Å; F609-I615 HydrophobicContact CZ-CG1 4.09Å; I615-H647 PolarHBondContact N-O 3.04Å; I615-L648 HydrophobicContact CB-CD1 3.92Å; I615-L648 HydrophobicContact CD1-CD1 4.43Å; I615-L648 HydrophobicContact CG2-CD1 4.07Å; I615-A649 PolarHBondContact O-N 2.62Å; I615-H700 HydrophobicContact CG2-CB 4.17Å |
| 616 | L | 94.3 | Very high | 87.7 | Confident | 9 Ų | 9 | 55.9 Ų | 55.9 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 109.3 | 173 | -174.7 | 62.5 | 0 | 0 | 0 | 109.8 | V618 A649 I651 L677 F681 L698 F699 H700 | L616-V618 HydrophobicContact CG-CG2 4.28Å; L616-A649 HydrophobicContact CD1-CB 3.51Å; L616-I651 HydrophobicContact CD1-CD1 3.9Å; L616-I651 HydrophobicContact CD1-CG1 4.03Å; L616-I651 HydrophobicContact CD2-CD1 4.13Å; L616-I651 HydrophobicContact CG-CD1 4.37Å; L616-L677 HydrophobicContact CD2-CD1 3.9Å; L616-F681 HydrophobicContact CB-CE1 4.46Å; L616-F681 HydrophobicContact CB-CZ 3.71Å; L616-F681 HydrophobicContact CD2-CE2 3.98Å; L616-F681 HydrophobicContact CD2-CZ 3.75Å; L616-F681 HydrophobicContact CG-CZ 4.4Å; L616-L698 PolarHBondContact N-O 3.44Å; L616-F699 HydrophobicContact CD2-CD1 4.09Å; L616-F699 HydrophobicContact CD2-CE1 3.78Å; L616-H700 PolarHBondContact O-N 3.48Å |
| 617 | I | 94.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 121.9 | 171.5 | -55.9 | 172.5 | 0 | 0 | 0 | 108.3 | W605 N619 F636 I640 L648 A649 Y650 I651 H700 N702 | W605-I617 HydrophobicContact CH2-CD1 3.95Å; W605-I617 HydrophobicContact CH2-CG1 3.73Å; W605-I617 HydrophobicContact CZ2-CD1 3.52Å; W605-I617 HydrophobicContact CZ2-CG1 3.87Å; I617-N619 HydrophobicContact CG2-CB 4.47Å; I617-F636 HydrophobicContact CD1-CE2 4.37Å; I617-F636 HydrophobicContact CD1-CZ 3.99Å; I617-F636 HydrophobicContact CG2-CE1 3.71Å; I617-F636 HydrophobicContact CG2-CZ 3.59Å; I617-I640 HydrophobicContact CD1-CD1 3.83Å; I617-I640 HydrophobicContact CD1-CG1 4.04Å; I617-L648 HydrophobicContact CD1-CD1 3.79Å; I617-L648 HydrophobicContact CD1-CD2 4.15Å; I617-L648 HydrophobicContact CD1-CG 3.88Å; I617-L648 HydrophobicContact CG1-CD1 3.98Å; I617-L648 HydrophobicContact CG1-CG 4.48Å; I617-A649 PolarHBondContact N-O 2.96Å; I617-Y650 HydrophobicContact CB-CD2 4.02Å; I617-Y650 HydrophobicContact CD1-CD2 4.49Å; I617-Y650 HydrophobicContact CG2-CD2 3.78Å; I617-Y650 HydrophobicContact CG2-CE2 4.29Å; I617-I651 PolarHBondContact O-N 3.42Å; I617-H700 WeakPolarHBondContact CA-O 3.37Å; I617-N702 VanDerWaalsContact CG2-OD1 3.31Å; I617-N702 WeakPolarHBondContact CG2-OD1 3.2Å |
| 618 | V | 93.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 99.7 | 170.6 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | L616 L620 L670 F699 H700 V701 N702 V713 F717 | L616-V618 HydrophobicContact CG-CG2 4.28Å; V618-L620 HydrophobicContact CG1-CD2 3.9Å; V618-L670 HydrophobicContact CG1-CD1 4.41Å; V618-L670 HydrophobicContact CG1-CD2 4.01Å; V618-F699 HydrophobicContact CG2-CD1 4.37Å; V618-H700 PolarHBondContact N-O 3.18Å; V618-V701 HydrophobicContact CB-CG1 4.43Å; V618-V701 HydrophobicContact CB-CG2 4.34Å; V618-V701 WeakPolarHBondContact O-CA 3.23Å; V618-N702 PolarHBondContact O-N 2.85Å; V618-N702 PolarHBondContact O-OD1 3.32Å; V618-V713 HydrophobicContact CG1-CG1 4.32Å; V618-F717 HydrophobicContact CG1-CZ 4.38Å; V618-F717 HydrophobicContact CG2-CE2 4.15Å; V618-F717 HydrophobicContact CG2-CZ 4.2Å |
| 619 | N | 93.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 110.6 | -174.9 | -178.9 | 29.9 | 0 | 0 | 0 | 111 | I617 L621 F636 Y650 I651 F653 N702 | I617-N619 HydrophobicContact CG2-CB 4.47Å; N619-L621 VanDerWaalsContact C-N 3.33Å; N619-L621 WeakPolarHBondContact OD1-CB 3.34Å; N619-L621 WeakPolarHBondContact OD1-CD1 3.27Å; N619-L621 VanDerWaalsContact OD1-CG 3.22Å; N619-L621 WeakPolarHBondContact OD1-CG 3.48Å; N619-L621 PolarHBondContact OD1-N 3.18Å; N619-F636 HydrophobicContact CB-CD1 4.5Å; N619-F636 HydrophobicContact CB-CE1 4.16Å; N619-Y650 HydrophobicContact CB-CD2 4.38Å; N619-Y650 HydrophobicContact CB-CE2 3.47Å; N619-Y650 VanDerWaalsContact CB-CE2 3.47Å; N619-Y650 PolarHBondContact ND2-OH 3.08Å; N619-I651 PolarHBondContact N-O 3.39Å; N619-F653 PolarHBondContact O-N 3.03Å; N619-N702 WeakPolarHBondContact CA-OD1 3.2Å; N619-N702 PolarHBondContact OD1-ND2 3.36Å |
| 620 | L | 90.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -92.9 | 16.2 | -177.6 | -52.1 | -179.9 | 0 | 0 | 0 | 113.6 | V618 F653 F655 L670 V701 N702 C703 R709 T710 V713 | V618-L620 HydrophobicContact CG1-CD2 3.9Å; L620-F653 WeakPolarHBondContact CA-O 3.38Å; L620-F653 HydrophobicContact CD2-CB 4.35Å; L620-F653 HydrophobicContact CD2-CD1 4.05Å; L620-F655 HydrophobicContact CB-CB 4.28Å; L620-L670 HydrophobicContact CD2-CD2 4.42Å; L620-V701 HydrophobicContact CD1-CG1 3.73Å; L620-V701 HydrophobicContact CG-CG1 4.11Å; L620-N702 WeakPolarHBondContact CB-O 3.39Å; L620-N702 PolarHBondContact N-O 3.33Å; L620-C703 HydrophobicContact CB-CB 4.29Å; L620-R709 HydrophobicContact CB-CB 4.41Å; L620-R709 HydrophobicContact CD1-CB 3.82Å; L620-R709 PolarHBondContact O-NH1 2.94Å; L620-T710 HydrophobicContact CD1-CG2 4.15Å; L620-V713 HydrophobicContact CD1-CB 4.09Å; L620-V713 HydrophobicContact CD1-CG2 3.61Å; L620-V713 HydrophobicContact CD2-CG2 3.97Å; L620-V713 HydrophobicContact CG-CG2 4.46Å | ||
| 621 | L | 88.3 | Confident | 85.8 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | trans | -72.2 | 143.8 | 175.6 | -72.6 | 173.9 | 0 | 0 | 0 | 111.6 | V573 N619 E629 L632 T633 L704 | V573-L621 HydrophobicContact CG2-CD1 3.98Å; N619-L621 VanDerWaalsContact C-N 3.33Å; N619-L621 WeakPolarHBondContact OD1-CB 3.34Å; N619-L621 WeakPolarHBondContact OD1-CD1 3.27Å; N619-L621 VanDerWaalsContact OD1-CG 3.22Å; N619-L621 WeakPolarHBondContact OD1-CG 3.48Å; N619-L621 PolarHBondContact OD1-N 3.18Å; L621-E629 VanDerWaalsContact CA-OE2 3.31Å; L621-E629 WeakPolarHBondContact CA-OE2 3.47Å; L621-E629 HydrophobicContact CB-CB 4.42Å; L621-E629 HydrophobicContact CD2-CB 4.07Å; L621-E629 HydrophobicContact CD2-CG 4.16Å; L621-E629 WeakPolarHBondContact CD2-OE2 3.39Å; L621-L632 HydrophobicContact CD1-CB 4.23Å; L621-L632 HydrophobicContact CD1-CD2 4.16Å; L621-L632 HydrophobicContact CD1-CG 4.03Å; L621-L632 HydrophobicContact CD2-CD2 4.41Å; L621-T633 VanDerWaalsContact CB-OG1 3.24Å; L621-T633 WeakPolarHBondContact CB-OG1 3.32Å; L621-L704 HydrophobicContact CD2-CB 3.74Å; L621-L704 HydrophobicContact CD2-CD1 4.34Å; L621-L704 VanDerWaalsContact CD2-N 3.26Å | ||
| 622 | S | 82.1 | Confident | 86.1 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | trans | -75.4 | 150 | 173.6 | -66.4 | 0 | 0 | 0 | 0 | 113.2 | E629 T630 T633 D654 H656 | S622-E629 PolarHBondContact N-OE2 3.2Å; S622-E629 WeakPolarHBondContact O-CB 3.27Å; S622-T630 PolarHBondContact O-N 3.36Å; S622-T633 PolarHBondContact O-OG1 3.47Å; S622-D654 VanDerWaalsContact CA-CG 3.44Å; S622-D654 WeakPolarHBondContact CA-OD1 3.47Å; S622-D654 WeakPolarHBondContact CA-OD2 3.27Å; S622-D654 WeakPolarHBondContact CB-OD1 3.45Å; S622-D654 VanDerWaalsContact CB-OD2 3.23Å; S622-D654 WeakPolarHBondContact CB-OD2 3.48Å; S622-D654 PolarHBondContact OG-OD1 3.29Å; S622-D654 PolarHBondContact OG-OD2 3.28Å; S622-H656 WeakPolarHBondContact OG-CB 3.46Å; S622-H656 PolarHBondContact OG-CD2 2.89Å | ||
| 623 | S | 78.9 | Confident | 86.1 | Confident | 53 Ų | 53 | 52.7 Ų | 52.7 | 37% | 0.371 | 24% | 0.239 | S | C | . | . | trans | -138 | 118.1 | -164.2 | -60.3 | 0 | 0 | 0 | 0 | 111.3 | D654 | S623-D654 PolarHBondContact N-OD2 3.04Š| ||
| 624 | G | 75 | Confident | 86.2 | Confident | 30 Ų | 30 | 52.8 Ų | 52.8 | 31% | 0.309 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 145.9 | 161.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K626 H627 T630 | G624-K626 PolarHBondContact O-N 2.84Å; G624-H627 PolarHBondContact O-N 2.87Å; G624-T630 PolarHBondContact N-OG1 2.94Å; G624-T630 PolarHBondContact O-OG1 3.38Å |
| 625 | R | 68.6 | Low | 86.1 | Confident | 267 Ų | 267 | 48.7 Ų | 48.7 | 100% | 1.008 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -18.4 | -170.6 | -63.4 | -176.2 | -177.2 | 174.8 | 2 | 115.2 | ||
| 626 | K | 70.3 | Confident | 86.1 | Confident | 200 Ų | 200 | 48.6 Ų | 48.6 | 87% | 0.87 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -21.6 | 176.7 | -64.1 | -175.5 | 179.9 | -178.9 | 0 | 113.8 | G624 | G624-K626 PolarHBondContact O-N 2.84Š|
| 627 | H | 73.9 | Confident | 86.1 | Confident | 68 Ų | 68 | 51 Ų | 51 | 32% | 0.315 | 24% | 0.24 | S | C | . | . | trans | -93.9 | 134.3 | -172.6 | -62.8 | -85.7 | 0 | 0 | 0 | 111.5 | G624 E629 T630 | G624-H627 PolarHBondContact O-N 2.87Å; H627-E629 VanDerWaalsContact C-N 3.27Å; H627-E629 PolarHBondContact O-N 3.33Å; H627-T630 WeakPolarHBondContact O-CB 3.34Å; H627-T630 PolarHBondContact O-N 3.33Å; H627-T630 PolarHBondContact O-OG1 3.36Å | ||
| 628 | R | 79.2 | Confident | 86 | Confident | 162 Ų | 162 | 56.4 Ų | 56.4 | 61% | 0.611 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -24.5 | 178.1 | -60.2 | -176.8 | -171.4 | 172.5 | 7 | 112.7 | T630 | R628-T630 VanDerWaalsContact C-N 3.26Å; R628-T630 PolarHBondContact O-N 3.11Å |
| 629 | E | 86.2 | Confident | 86 | Confident | 20 Ų | 20 | 56.7 Ų | 56.7 | 9% | 0.093 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -26.5 | 178.3 | -66.6 | -168.8 | 179 | 0 | 0 | 112.9 | L621 S622 H627 I631 L632 T633 L704 R709 | L621-E629 VanDerWaalsContact CA-OE2 3.31Å; L621-E629 WeakPolarHBondContact CA-OE2 3.47Å; L621-E629 HydrophobicContact CB-CB 4.42Å; L621-E629 HydrophobicContact CD2-CB 4.07Å; L621-E629 HydrophobicContact CD2-CG 4.16Å; L621-E629 WeakPolarHBondContact CD2-OE2 3.39Å; S622-E629 PolarHBondContact N-OE2 3.2Å; S622-E629 WeakPolarHBondContact O-CB 3.27Å; H627-E629 VanDerWaalsContact C-N 3.27Å; H627-E629 PolarHBondContact O-N 3.33Å; E629-I631 PolarHBondContact O-N 2.94Å; E629-I631 VanDerWaalsContact O-N 3.15Å; E629-L632 WeakPolarHBondContact O-CA 3.38Å; E629-L632 WeakPolarHBondContact O-CB 3.48Å; E629-L632 PolarHBondContact O-N 3.37Å; E629-T633 PolarHBondContact O-N 3.11Å; E629-T633 PolarHBondContact O-OG1 2.89Å; E629-L704 HydrophobicContact CG-CB 4.4Å; E629-L704 HydrophobicContact CG-CD1 4.36Å; E629-L704 HydrophobicContact CG-CD2 4.15Å; E629-L704 VanDerWaalsContact OE1-CB 3.27Å; E629-L704 WeakPolarHBondContact OE1-CB 3.46Å; E629-L704 VanDerWaalsContact OE1-CD2 3.32Å; E629-L704 WeakPolarHBondContact OE1-CD2 3.48Å; E629-R709 IonicContact OE1-CZ 2.63Å; E629-R709 IonicContact OE1-NH1 2.99Å; E629-R709 PolarHBondContact OE1-NH1 3.42Å; E629-R709 IonicContact OE1-NH2 3.59Å; E629-R709 PolarHBondContact OE1-NH2 3.13Å; E629-R709 IonicContact OE2-CZ 2.66Å; E629-R709 IonicContact OE2-NH1 2.94Å; E629-R709 PolarHBondContact OE2-NH1 3.41Å; E629-R709 IonicContact OE2-NH2 3.67Å; E629-R709 PolarHBondContact OE2-NH2 2.83Å |
| 630 | T | 88 | Confident | 86 | Confident | 19 Ų | 19 | 57.4 Ų | 57.4 | 12% | 0.117 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -53.6 | -36.6 | -179.9 | -49.1 | 0 | 0 | 0 | 0 | 113.4 | S622 G624 H627 R628 L632 T633 D634 | S622-T630 PolarHBondContact O-N 3.36Å; G624-T630 PolarHBondContact N-OG1 2.94Å; G624-T630 PolarHBondContact O-OG1 3.38Å; H627-T630 WeakPolarHBondContact O-CB 3.34Å; H627-T630 PolarHBondContact O-N 3.33Å; H627-T630 PolarHBondContact O-OG1 3.36Å; R628-T630 VanDerWaalsContact C-N 3.26Å; R628-T630 PolarHBondContact O-N 3.11Å; T630-L632 PolarHBondContact O-N 3.23Å; T630-T633 PolarHBondContact O-N 3.07Å; T630-D634 WeakPolarHBondContact O-CB 3.06Å; T630-D634 VanDerWaalsContact O-CG 3.22Å; T630-D634 PolarHBondContact O-N 2.86Å |
| 631 | I | 89.4 | Confident | 86.1 | Confident | 94 Ų | 94 | 62.2 Ų | 62.2 | 48% | 0.482 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.1 | -36.4 | 176.6 | -60.6 | 173 | 0 | 0 | 0 | 111.3 | L590 E629 A635 | L590-I631 HydrophobicContact CD1-CG2 4.24Å; L590-I631 HydrophobicContact CG-CG2 4.45Å; E629-I631 PolarHBondContact O-N 2.94Å; E629-I631 VanDerWaalsContact O-N 3.15Å; I631-A635 WeakPolarHBondContact O-CB 3.44Å; I631-A635 PolarHBondContact O-N 3.39Å |
| 632 | L | 91.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -83.5 | -35.8 | 178.9 | -171.3 | 60.4 | 0 | 0 | 0 | 111.6 | V573 L575 W577 I588 L590 L621 E629 T630 F636 L704 | V573-L632 HydrophobicContact CB-CD1 4.32Å; V573-L632 HydrophobicContact CB-CD2 4.23Å; V573-L632 HydrophobicContact CB-CG 4.31Å; V573-L632 HydrophobicContact CG1-CD1 4.12Å; V573-L632 HydrophobicContact CG1-CG 4.2Å; V573-L632 HydrophobicContact CG2-CD2 3.75Å; V573-L632 HydrophobicContact CG2-CG 4.08Å; L575-L632 HydrophobicContact CD1-CD1 4.2Å; W577-L632 HydrophobicContact CB-CD1 4.09Å; W577-L632 HydrophobicContact CD2-CD1 4.01Å; W577-L632 HydrophobicContact CD2-CD2 3.76Å; W577-L632 HydrophobicContact CE3-CD2 3.92Å; W577-L632 HydrophobicContact CG-CD1 3.71Å; W577-L632 HydrophobicContact CG-CD2 4.36Å; W577-L632 HydrophobicContact CH2-CD2 3.8Å; W577-L632 HydrophobicContact CZ2-CD2 3.67Å; W577-L632 HydrophobicContact CZ3-CD2 3.91Å; I588-L632 HydrophobicContact CD1-CB 4.34Å; I588-L632 HydrophobicContact CG2-CB 4.41Å; L590-L632 HydrophobicContact CD2-CD1 4.07Å; L621-L632 HydrophobicContact CD1-CB 4.23Å; L621-L632 HydrophobicContact CD1-CD2 4.16Å; L621-L632 HydrophobicContact CD1-CG 4.03Å; L621-L632 HydrophobicContact CD2-CD2 4.41Å; E629-L632 WeakPolarHBondContact O-CA 3.38Å; E629-L632 WeakPolarHBondContact O-CB 3.48Å; E629-L632 PolarHBondContact O-N 3.37Å; T630-L632 PolarHBondContact O-N 3.23Å; L632-F636 VanDerWaalsContact O-CB 3.24Å; L632-F636 WeakPolarHBondContact O-CB 3.32Å; L632-F636 PolarHBondContact O-N 3.14Å; L632-L704 HydrophobicContact CD2-CD1 4.09Å |
| 633 | T | 91.9 | Very high | 86.6 | Confident | 7 Ų | 7 | 67.4 Ų | 67.4 | 4% | 0.043 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.5 | -50.4 | 173.5 | -55.1 | 0 | 0 | 0 | 0 | 111.8 | L621 S622 E629 T630 A635 F636 L637 | L621-T633 VanDerWaalsContact CB-OG1 3.24Å; L621-T633 WeakPolarHBondContact CB-OG1 3.32Å; S622-T633 PolarHBondContact O-OG1 3.47Å; E629-T633 PolarHBondContact O-N 3.11Å; E629-T633 PolarHBondContact O-OG1 2.89Å; T630-T633 PolarHBondContact O-N 3.07Å; T633-A635 VanDerWaalsContact C-N 3.3Å; T633-A635 PolarHBondContact O-N 3.17Å; T633-F636 PolarHBondContact O-N 2.84Å; T633-F636 VanDerWaalsContact O-N 3.15Å; T633-L637 WeakPolarHBondContact O-CB 3.44Å; T633-L637 PolarHBondContact O-N 2.95Å |
| 634 | D | 92.1 | Very high | 86.9 | Confident | 84 Ų | 84 | 73.7 Ų | 73.7 | 45% | 0.449 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62 | -38.7 | -179.9 | -68.1 | -7.2 | 0 | 0 | 0 | 111.5 | T630 R638 | T630-D634 WeakPolarHBondContact O-CB 3.06Å; T630-D634 VanDerWaalsContact O-CG 3.22Å; T630-D634 PolarHBondContact O-N 2.86Å; D634-R638 VanDerWaalsContact O-CB 3.29Å; D634-R638 WeakPolarHBondContact O-CB 3.23Å; D634-R638 PolarHBondContact O-N 3.24Å; D634-R638 VanDerWaalsContact O-N 3.12Å |
| 635 | A | 92.6 | Very high | 87.6 | Confident | 4 Ų | 4 | 75 Ų | 75 | 3% | 0.033 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.5 | -45.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L575 L590 I631 T633 R638 H639 | L575-A635 HydrophobicContact CD1-CB 3.74Å; L590-A635 HydrophobicContact CD1-CB 3.98Å; L590-A635 HydrophobicContact CD2-CB 4.47Å; I631-A635 WeakPolarHBondContact O-CB 3.44Å; I631-A635 PolarHBondContact O-N 3.39Å; T633-A635 VanDerWaalsContact C-N 3.3Å; T633-A635 PolarHBondContact O-N 3.17Å; A635-R638 WeakPolarHBondContact O-CB 3.29Å; A635-R638 PolarHBondContact O-N 2.96Å; A635-H639 PolarHBondContact O-CD2 3.31Å; A635-H639 PolarHBondContact O-N 2.9Å |
| 636 | F | 94.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.9 | -45.7 | -178.4 | -175.7 | -147.5 | 0 | 0 | 0 | 112 | V573 P574 L575 F601 W605 I617 N619 L632 T633 R638 H639 I640 Y650 N702 | V573-F636 HydrophobicContact CG1-CB 3.87Å; V573-F636 HydrophobicContact CG1-CD1 3.95Å; V573-F636 HydrophobicContact CG1-CD2 3.87Å; V573-F636 HydrophobicContact CG1-CE1 4.42Å; V573-F636 HydrophobicContact CG1-CE2 4.37Å; V573-F636 HydrophobicContact CG1-CG 3.65Å; P574-F636 VanDerWaalsContact CD-CE2 3.47Å; P574-F636 HydrophobicContact CG-CD2 4.16Å; P574-F636 HydrophobicContact CG-CE2 3.46Å; P574-F636 VanDerWaalsContact CG-CE2 3.46Å; P574-F636 HydrophobicContact CG-CZ 4.16Å; L575-F636 HydrophobicContact CD1-CB 4.12Å; F601-F636 AromaticContact CE2-CD2 3.93Å; F601-F636 HydrophobicContact CE2-CD2 3.93Å; F601-F636 AromaticContact CE2-CE2 3.8Å; F601-F636 HydrophobicContact CE2-CE2 3.8Å; W605-F636 HydrophobicContact CZ2-CE2 4.47Å; I617-F636 HydrophobicContact CD1-CE2 4.37Å; I617-F636 HydrophobicContact CD1-CZ 3.99Å; I617-F636 HydrophobicContact CG2-CE1 3.71Å; I617-F636 HydrophobicContact CG2-CZ 3.59Å; N619-F636 HydrophobicContact CB-CD1 4.5Å; N619-F636 HydrophobicContact CB-CE1 4.16Å; L632-F636 VanDerWaalsContact O-CB 3.24Å; L632-F636 WeakPolarHBondContact O-CB 3.32Å; L632-F636 PolarHBondContact O-N 3.14Å; T633-F636 PolarHBondContact O-N 2.84Å; T633-F636 VanDerWaalsContact O-N 3.15Å; F636-R638 VanDerWaalsContact C-N 3.34Å; F636-R638 PolarHBondContact O-N 3.23Å; F636-H639 PolarHBondContact O-N 3.37Å; F636-I640 HydrophobicContact CD1-CD1 4.35Å; F636-I640 HydrophobicContact CD2-CD1 4Å; F636-I640 HydrophobicContact CD2-CG1 4.29Å; F636-I640 HydrophobicContact CE1-CD1 4.29Å; F636-I640 HydrophobicContact CE2-CD1 3.91Å; F636-I640 HydrophobicContact CE2-CG1 4.2Å; F636-I640 HydrophobicContact CG-CD1 4.22Å; F636-I640 HydrophobicContact CZ-CD1 4.09Å; F636-I640 WeakPolarHBondContact O-CG1 3.46Å; F636-I640 PolarHBondContact O-N 2.97Å; F636-Y650 HydrophobicContact CD1-CE2 4.08Å; F636-Y650 HydrophobicContact CE1-CD2 4.46Å; F636-Y650 HydrophobicContact CE1-CE2 4Å; F636-N702 WeakPolarHBondContact CE1-OD1 3.5Å |
| 637 | L | 93 | Very high | 89.5 | Confident | 60 Ų | 60 | 64.4 Ų | 64.4 | 31% | 0.314 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.7 | -43.1 | 174.5 | -177.2 | 60.2 | 0 | 0 | 0 | 111.6 | T633 H639 I640 L641 Y650 | T633-L637 WeakPolarHBondContact O-CB 3.44Å; T633-L637 PolarHBondContact O-N 2.95Å; L637-H639 VanDerWaalsContact C-N 3.33Å; L637-H639 PolarHBondContact O-N 3.29Å; L637-I640 PolarHBondContact O-N 2.9Å; L637-L641 HydrophobicContact CD1-CD1 4.36Å; L637-L641 HydrophobicContact CD1-CG 4.39Å; L637-L641 HydrophobicContact CG-CD1 4.1Å; L637-L641 WeakPolarHBondContact O-CG 3.43Å; L637-L641 PolarHBondContact O-N 2.57Å; L637-Y650 HydrophobicContact CD1-CD1 4.08Å; L637-Y650 HydrophobicContact CD1-CE1 3.93Å |
| 638 | R | 93.8 | Very high | 90.4 | Very high | 113 Ų | 113 | 61.8 Ų | 61.8 | 43% | 0.426 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.9 | -43.4 | 174.9 | -171.4 | -178.4 | -57.7 | 112.3 | 9.8 | 112.1 | D634 A635 F636 L641 L642 | D634-R638 VanDerWaalsContact O-CB 3.29Å; D634-R638 WeakPolarHBondContact O-CB 3.23Å; D634-R638 PolarHBondContact O-N 3.24Å; D634-R638 VanDerWaalsContact O-N 3.12Å; A635-R638 WeakPolarHBondContact O-CB 3.29Å; A635-R638 PolarHBondContact O-N 2.96Å; F636-R638 VanDerWaalsContact C-N 3.34Å; F636-R638 PolarHBondContact O-N 3.23Å; R638-L641 PolarHBondContact O-N 3Å; R638-L642 HydrophobicContact CG-CD1 3.96Å; R638-L642 WeakPolarHBondContact O-CB 3.41Å; R638-L642 WeakPolarHBondContact O-CD1 3.29Å; R638-L642 WeakPolarHBondContact O-CG 3.25Å; R638-L642 PolarHBondContact O-N 3.48Å |
| 639 | H | 94.1 | Very high | 91 | Very high | 6 Ų | 6 | 56.4 Ų | 56.4 | 3% | 0.028 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.5 | -29.5 | 179.9 | -75.6 | -61.9 | 0 | 0 | 0 | 114.1 | L575 Q594 N597 Q598 F601 A635 F636 L637 S643 | L575-H639 HydrophobicContact CD2-CB 4.05Å; L575-H639 WeakPolarHBondContact CD2-CD2 3.43Å; Q594-H639 PolarHBondContact O-CE1 2.87Å; Q594-H639 VanDerWaalsContact O-CE1 3.24Å; N597-H639 VanDerWaalsContact CB-CE1 3.48Å; N597-H639 WeakPolarHBondContact CB-CE1 3.07Å; N597-H639 WeakPolarHBondContact CB-NE2 3.13Å; Q598-H639 PolarHBondContact NE2-O 3.22Å; Q598-H639 PolarHBondContact OE1-ND1 2.98Å; Q598-H639 PolarHBondContact OE1-O 3.1Å; F601-H639 HydrophobicContact CD2-CB 3.78Å; F601-H639 WeakPolarHBondContact CE1-O 3.41Å; F601-H639 HydrophobicContact CE2-CB 3.87Å; F601-H639 HydrophobicContact CG-CB 4.17Å; F601-H639 HydrophobicContact CZ-CB 4.36Å; A635-H639 PolarHBondContact O-CD2 3.31Å; A635-H639 PolarHBondContact O-N 2.9Å; F636-H639 PolarHBondContact O-N 3.37Å; L637-H639 VanDerWaalsContact C-N 3.33Å; L637-H639 PolarHBondContact O-N 3.29Å; H639-S643 PolarHBondContact O-N 2.92Å |
| 640 | I | 93.2 | Very high | 91.2 | Very high | 15 Ų | 15 | 58.2 Ų | 58.2 | 8% | 0.077 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.3 | -55.8 | 168.8 | -65.8 | 158.8 | 0 | 0 | 0 | 109.4 | F601 I617 F636 L637 L642 S643 Y650 | F601-I640 HydrophobicContact CE2-CG1 4.01Å; F601-I640 HydrophobicContact CZ-CB 4.28Å; F601-I640 HydrophobicContact CZ-CG1 3.6Å; I617-I640 HydrophobicContact CD1-CD1 3.83Å; I617-I640 HydrophobicContact CD1-CG1 4.04Å; F636-I640 HydrophobicContact CD1-CD1 4.35Å; F636-I640 HydrophobicContact CD2-CD1 4Å; F636-I640 HydrophobicContact CD2-CG1 4.29Å; F636-I640 HydrophobicContact CE1-CD1 4.29Å; F636-I640 HydrophobicContact CE2-CD1 3.91Å; F636-I640 HydrophobicContact CE2-CG1 4.2Å; F636-I640 HydrophobicContact CG-CD1 4.22Å; F636-I640 HydrophobicContact CZ-CD1 4.09Å; F636-I640 WeakPolarHBondContact O-CG1 3.46Å; F636-I640 PolarHBondContact O-N 2.97Å; L637-I640 PolarHBondContact O-N 2.9Å; I640-L642 VanDerWaalsContact C-N 3.27Å; I640-L642 PolarHBondContact O-N 2.94Å; I640-S643 WeakPolarHBondContact O-CB 3.44Å; I640-S643 PolarHBondContact O-N 2.76Å; I640-S643 PolarHBondContact O-OG 2.91Å; I640-Y650 HydrophobicContact CD1-CD2 3.26Å; I640-Y650 HydrophobicContact CD1-CE2 3.74Å; I640-Y650 HydrophobicContact CD1-CG 3.81Å |
| 641 | L | 92.6 | Very high | 91.4 | Very high | 102 Ų | 102 | 59.3 Ų | 59.3 | 53% | 0.534 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.7 | -36.9 | 180 | -67.4 | 169.8 | 0 | 0 | 0 | 113.1 | L637 R638 S643 T1262 | L637-L641 HydrophobicContact CD1-CD1 4.36Å; L637-L641 HydrophobicContact CD1-CG 4.39Å; L637-L641 HydrophobicContact CG-CD1 4.1Å; L637-L641 WeakPolarHBondContact O-CG 3.43Å; L637-L641 PolarHBondContact O-N 2.57Å; R638-L641 PolarHBondContact O-N 3Å; L641-S643 VanDerWaalsContact C-N 3.34Å; L641-S643 PolarHBondContact O-N 3Å; L641-T1262 HydrophobicContact CD2-CG2 4.48Å |
| 642 | L | 91.8 | Very high | 91.3 | Very high | 83 Ų | 83 | 56.9 Ų | 56.9 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -70 | -24.7 | 175.8 | -76 | 169.7 | 0 | 0 | 0 | 114.2 | Q594 R638 I640 K644 | Q594-L642 HydrophobicContact CG-CD1 4.3Å; R638-L642 HydrophobicContact CG-CD1 3.96Å; R638-L642 WeakPolarHBondContact O-CB 3.41Å; R638-L642 WeakPolarHBondContact O-CD1 3.29Å; R638-L642 WeakPolarHBondContact O-CG 3.25Å; R638-L642 PolarHBondContact O-N 3.48Å; I640-L642 VanDerWaalsContact C-N 3.27Å; I640-L642 PolarHBondContact O-N 2.94Å; L642-K644 VanDerWaalsContact C-N 3.34Å |
| 643 | S | 88.3 | Confident | 91.1 | Very high | 29 Ų | 29 | 57.3 Ų | 57.3 | 20% | 0.203 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -74.6 | -23.1 | 178.1 | 72.3 | 0 | 0 | 0 | 0 | 113.8 | H639 I640 L641 N645 | H639-S643 PolarHBondContact O-N 2.92Å; I640-S643 WeakPolarHBondContact O-CB 3.44Å; I640-S643 PolarHBondContact O-N 2.76Å; I640-S643 PolarHBondContact O-OG 2.91Å; L641-S643 VanDerWaalsContact C-N 3.34Å; L641-S643 PolarHBondContact O-N 3Å; S643-N645 PolarHBondContact O-N 3.35Å; S643-N645 VanDerWaalsContact O-N 3.09Å |
| 644 | K | 86 | Confident | 90.6 | Very high | 185 Ų | 185 | 57.6 Ų | 57.6 | 80% | 0.804 | 30% | 0.296 | S | S | * | . | trans | 48.5 | 32.5 | 179.2 | -60.6 | -171.1 | 175.3 | -169.5 | 0 | 114.8 | L642 | L642-K644 VanDerWaalsContact C-N 3.34Š| ||
| 645 | N | 88 | Confident | 89.7 | Confident | 58 Ų | 58 | 53.7 Ų | 53.7 | 31% | 0.31 | 28% | 0.275 | S | S | . | . | trans | -97 | 108.7 | -176.2 | -171.8 | -26 | 0 | 0 | 0 | 111.2 | F609 S643 H647 L648 | F609-N645 WeakPolarHBondContact CE2-ND2 3.27Å; S643-N645 PolarHBondContact O-N 3.35Å; S643-N645 VanDerWaalsContact O-N 3.09Å; N645-H647 PolarHBondContact O-N 3.37Å; N645-H647 VanDerWaalsContact O-N 3.11Å; N645-H647 VanDerWaalsContact OD1-CB 3.29Å; N645-H647 WeakPolarHBondContact OD1-CB 3.37Å; N645-H647 PolarHBondContact OD1-N 3.33Å; N645-L648 HydrophobicContact CB-CB 4.23Å; N645-L648 WeakPolarHBondContact O-CB 3.48Å; N645-L648 PolarHBondContact O-N 2.74Å | ||
| 646 | E | 88.9 | Confident | 88.7 | Confident | 164 Ų | 164 | 57.1 Ų | 57.1 | 77% | 0.766 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -14.1 | -179.5 | -61.4 | 177.7 | -171.3 | 0 | 0 | 114.2 | R614 | R614-E646 PolarHBondContact NH1-O 3.39Š|
| 647 | H | 90.5 | Very high | 87.5 | Confident | 80 Ų | 80 | 60 Ų | 60 | 37% | 0.37 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -4.7 | 174.5 | -58.6 | -108.2 | 0 | 0 | 0 | 112.8 | F609 E613 R614 I615 N645 | F609-H647 HydrophobicContact CD1-CB 4.17Å; F609-H647 HydrophobicContact CE1-CB 3.45Å; F609-H647 VanDerWaalsContact CE1-CB 3.45Å; F609-H647 HydrophobicContact CZ-CB 3.89Å; E613-H647 PolarHBondContact O-ND1 2.81Å; R614-H647 WeakPolarHBondContact CA-O 3.38Å; R614-H647 HydrophobicContact CG-CB 4.23Å; I615-H647 PolarHBondContact N-O 3.04Å; N645-H647 PolarHBondContact O-N 3.37Å; N645-H647 VanDerWaalsContact O-N 3.11Å; N645-H647 VanDerWaalsContact OD1-CB 3.29Å; N645-H647 WeakPolarHBondContact OD1-CB 3.37Å; N645-H647 PolarHBondContact OD1-N 3.33Å |
| 648 | L | 92.3 | Very high | 86.1 | Confident | 13 Ų | 13 | 61.4 Ų | 61.4 | 7% | 0.068 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 86 | -178.9 | -166.4 | 63.6 | 0 | 0 | 0 | 111.5 | F601 W605 F609 I615 I617 N645 | F601-L648 HydrophobicContact CE1-CD2 4.16Å; F601-L648 HydrophobicContact CZ-CD2 4.07Å; W605-L648 HydrophobicContact CD2-CD1 3.85Å; W605-L648 HydrophobicContact CD2-CD2 4.29Å; W605-L648 HydrophobicContact CE3-CD1 3.97Å; W605-L648 HydrophobicContact CG-CD1 4.27Å; W605-L648 HydrophobicContact CG-CD2 4.08Å; W605-L648 HydrophobicContact CZ2-CD1 4.41Å; W605-L648 HydrophobicContact CZ3-CD1 4.32Å; F609-L648 HydrophobicContact CZ-CB 4.03Å; F609-L648 HydrophobicContact CZ-CD1 4.14Å; I615-L648 HydrophobicContact CB-CD1 3.92Å; I615-L648 HydrophobicContact CD1-CD1 4.43Å; I615-L648 HydrophobicContact CG2-CD1 4.07Å; I617-L648 HydrophobicContact CD1-CD1 3.79Å; I617-L648 HydrophobicContact CD1-CD2 4.15Å; I617-L648 HydrophobicContact CD1-CG 3.88Å; I617-L648 HydrophobicContact CG1-CD1 3.98Å; I617-L648 HydrophobicContact CG1-CG 4.48Å; N645-L648 HydrophobicContact CB-CB 4.23Å; N645-L648 WeakPolarHBondContact O-CB 3.48Å; N645-L648 PolarHBondContact O-N 2.74Å |
| 649 | A | 91.3 | Very high | 84.6 | Confident | 49 Ų | 49 | 56.2 Ų | 56.2 | 41% | 0.405 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 148.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I615 L616 I617 | I615-A649 PolarHBondContact O-N 2.62Å; L616-A649 HydrophobicContact CD1-CB 3.51Å; I617-A649 PolarHBondContact N-O 2.96Å |
| 650 | Y | 92.2 | Very high | 82.9 | Confident | 57 Ų | 57 | 63 Ų | 63 | 22% | 0.224 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 132.7 | -178.5 | 170.6 | -91.9 | 0 | 0 | 0 | 112.1 | I617 N619 F636 L637 I640 | I617-Y650 HydrophobicContact CB-CD2 4.02Å; I617-Y650 HydrophobicContact CD1-CD2 4.49Å; I617-Y650 HydrophobicContact CG2-CD2 3.78Å; I617-Y650 HydrophobicContact CG2-CE2 4.29Å; N619-Y650 HydrophobicContact CB-CD2 4.38Å; N619-Y650 HydrophobicContact CB-CE2 3.47Å; N619-Y650 VanDerWaalsContact CB-CE2 3.47Å; N619-Y650 PolarHBondContact ND2-OH 3.08Å; F636-Y650 HydrophobicContact CD1-CE2 4.08Å; F636-Y650 HydrophobicContact CE1-CD2 4.46Å; F636-Y650 HydrophobicContact CE1-CE2 4Å; L637-Y650 HydrophobicContact CD1-CD1 4.08Å; L637-Y650 HydrophobicContact CD1-CE1 3.93Å; I640-Y650 HydrophobicContact CD1-CD2 3.26Å; I640-Y650 HydrophobicContact CD1-CE2 3.74Å; I640-Y650 HydrophobicContact CD1-CG 3.81Å |
| 651 | I | 90.7 | Very high | 81 | Confident | 43 Ų | 43 | 69.1 Ų | 69.1 | 22% | 0.221 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 117 | 170.5 | -63.6 | 174.4 | 0 | 0 | 0 | 108.2 | L616 I617 N619 L670 I674 | L616-I651 HydrophobicContact CD1-CD1 3.9Å; L616-I651 HydrophobicContact CD1-CG1 4.03Å; L616-I651 HydrophobicContact CD2-CD1 4.13Å; L616-I651 HydrophobicContact CG-CD1 4.37Å; I617-I651 PolarHBondContact O-N 3.42Å; N619-I651 PolarHBondContact N-O 3.39Å; I651-L670 HydrophobicContact CG2-CD1 3.95Å; I651-I674 HydrophobicContact CD1-CG2 3.36Å |
| 652 | G | 88.8 | Confident | 79.1 | Confident | 42 Ų | 42 | 65.2 Ų | 65.2 | 43% | 0.433 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 118.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 653 | F | 86.6 | Confident | 77.5 | Confident | 9 Ų | 9 | 66.4 Ų | 66.4 | 4% | 0.039 | 33% | 0.333 | C | S | . | . | trans | -126.2 | 103.9 | 178 | -178.2 | -98.6 | 0 | 0 | 0 | 109.1 | N619 L620 F655 F658 L670 | N619-F653 PolarHBondContact O-N 3.03Å; L620-F653 WeakPolarHBondContact CA-O 3.38Å; L620-F653 HydrophobicContact CD2-CB 4.35Å; L620-F653 HydrophobicContact CD2-CD1 4.05Å; F653-F655 VanDerWaalsContact C-N 3.29Å; F653-F655 HydrophobicContact CD1-CB 4.28Å; F653-F655 HydrophobicContact CD1-CD2 4.49Å; F653-F655 HydrophobicContact CE1-CB 4.43Å; F653-F655 HydrophobicContact CE1-CD2 4.2Å; F653-F655 PolarHBondContact O-N 3.49Å; F653-F658 HydrophobicContact CD1-CD2 4.46Å; F653-F658 AromaticContact CD2-CD2 3.55Å; F653-F658 HydrophobicContact CD2-CD2 3.55Å; F653-F658 AromaticContact CD2-CE2 3.7Å; F653-F658 HydrophobicContact CD2-CE2 3.7Å; F653-F658 HydrophobicContact CD2-CG 4.21Å; F653-F658 HydrophobicContact CD2-CZ 4.45Å; F653-F658 HydrophobicContact CE1-CB 4.04Å; F653-F658 HydrophobicContact CE1-CD2 4.23Å; F653-F658 HydrophobicContact CE1-CG 4.39Å; F653-F658 HydrophobicContact CE2-CB 3.88Å; F653-F658 AromaticContact CE2-CD1 3.99Å; F653-F658 HydrophobicContact CE2-CD1 3.99Å; F653-F658 AromaticContact CE2-CD2 3.24Å; F653-F658 HydrophobicContact CE2-CD2 3.24Å; F653-F658 HydrophobicContact CE2-CE1 4.36Å; F653-F658 AromaticContact CE2-CE2 3.7Å; F653-F658 HydrophobicContact CE2-CE2 3.7Å; F653-F658 AromaticContact CE2-CG 3.42Å; F653-F658 HydrophobicContact CE2-CG 3.42Å; F653-F658 VanDerWaalsContact CE2-CG 3.42Å; F653-F658 HydrophobicContact CE2-CZ 4.24Å; F653-F658 HydrophobicContact CG-CD2 4.17Å; F653-F658 HydrophobicContact CZ-CB 3.41Å; F653-F658 VanDerWaalsContact CZ-CB 3.41Å; F653-F658 HydrophobicContact CZ-CD1 4.34Å; F653-F658 AromaticContact CZ-CD2 3.64Å; F653-F658 HydrophobicContact CZ-CD2 3.64Å; F653-F658 AromaticContact CZ-CG 3.54Å; F653-F658 HydrophobicContact CZ-CG 3.54Å; F653-L670 HydrophobicContact CB-CD1 4.16Å; F653-L670 HydrophobicContact CD1-CB 4.44Å; F653-L670 HydrophobicContact CD1-CD2 4.08Å; F653-L670 HydrophobicContact CD2-CB 3.84Å; F653-L670 HydrophobicContact CD2-CD1 4.09Å; F653-L670 HydrophobicContact CD2-CG 4.39Å; F653-L670 HydrophobicContact CE1-CB 4.28Å; F653-L670 HydrophobicContact CE1-CD2 4.43Å; F653-L670 HydrophobicContact CE2-CB 3.67Å; F653-L670 HydrophobicContact CG-CB 4.22Å; F653-L670 HydrophobicContact CG-CD1 4.13Å; F653-L670 HydrophobicContact CG-CD2 4.16Å; F653-L670 HydrophobicContact CG-CG 4.4Å; F653-L670 HydrophobicContact CZ-CB 3.9Å | ||
| 654 | D | 81.1 | Confident | 76 | Confident | 14 Ų | 14 | 65.2 Ų | 65.2 | 8% | 0.075 | 32% | 0.324 | C | S | . | . | trans | -70 | 91.4 | 177.2 | -168.2 | -27.3 | 0 | 0 | 0 | 110.1 | S622 S623 H656 D657 F658 | S622-D654 VanDerWaalsContact CA-CG 3.44Å; S622-D654 WeakPolarHBondContact CA-OD1 3.47Å; S622-D654 WeakPolarHBondContact CA-OD2 3.27Å; S622-D654 WeakPolarHBondContact CB-OD1 3.45Å; S622-D654 VanDerWaalsContact CB-OD2 3.23Å; S622-D654 WeakPolarHBondContact CB-OD2 3.48Å; S622-D654 PolarHBondContact OG-OD1 3.29Å; S622-D654 PolarHBondContact OG-OD2 3.28Å; S623-D654 PolarHBondContact N-OD2 3.04Å; D654-H656 PolarHBondContact O-N 3.39Å; D654-H656 WeakPolarHBondContact OD1-CB 3.32Å; D654-H656 PolarHBondContact OD1-N 3.3Å; D654-D657 HydrophobicContact CB-CB 4.08Å; D654-D657 PolarHBondContact O-N 2.93Å; D654-D657 VanDerWaalsContact O-N 3.08Å; D654-D657 PolarHBondContact OD1-N 3.5Å; D654-F658 WeakPolarHBondContact O-CD2 3.29Å; D654-F658 PolarHBondContact O-N 3.07Å | ||
| 655 | F | 74.3 | Confident | 74.7 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.009 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.7 | -24.7 | -177.2 | -175 | -81.6 | 0 | 0 | 0 | 112.8 | L620 F653 C659 F664 R709 L712 V713 | L620-F655 HydrophobicContact CB-CB 4.28Å; F653-F655 VanDerWaalsContact C-N 3.29Å; F653-F655 HydrophobicContact CD1-CB 4.28Å; F653-F655 HydrophobicContact CD1-CD2 4.49Å; F653-F655 HydrophobicContact CE1-CB 4.43Å; F653-F655 HydrophobicContact CE1-CD2 4.2Å; F653-F655 PolarHBondContact O-N 3.49Å; F655-C659 WeakPolarHBondContact O-CB 3.31Å; F655-C659 PolarHBondContact O-N 2.9Å; F655-C659 PolarHBondContact O-SG 3Å; F655-C659 VanDerWaalsContact O-SG 3.35Å; F655-F664 HydrophobicContact CE1-CD1 4.02Å; F655-F664 AromaticContact CE1-CE1 3.8Å; F655-F664 HydrophobicContact CE1-CE1 3.8Å; F655-F664 AromaticContact CZ-CD1 3.71Å; F655-F664 HydrophobicContact CZ-CD1 3.71Å; F655-F664 AromaticContact CZ-CE1 3.86Å; F655-F664 HydrophobicContact CZ-CE1 3.86Å; F655-R709 HydrophobicContact CD1-CB 4.24Å; F655-R709 HydrophobicContact CD1-CG 3.73Å; F655-R709 HydrophobicContact CD2-CB 4.37Å; F655-R709 HydrophobicContact CE1-CB 4.27Å; F655-R709 HydrophobicContact CE1-CG 3.87Å; F655-R709 HydrophobicContact CE2-CB 4.4Å; F655-R709 HydrophobicContact CG-CB 4.29Å; F655-R709 HydrophobicContact CG-CG 4.17Å; F655-R709 HydrophobicContact CZ-CB 4.34Å; F655-R709 HydrophobicContact CZ-CG 4.43Å; F655-L712 HydrophobicContact CE2-CD2 4.18Å; F655-L712 HydrophobicContact CZ-CD2 3.96Å; F655-V713 HydrophobicContact CD2-CG2 4.41Å; F655-V713 HydrophobicContact CE2-CG2 4.29Å |
| 656 | H | 71.1 | Confident | 73.7 | Confident | 75 Ų | 75 | 62.6 Ų | 62.6 | 35% | 0.347 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -75.7 | -41 | 173.6 | -80.5 | -103 | 0 | 0 | 0 | 111.5 | S622 D654 R660 R709 | S622-H656 WeakPolarHBondContact OG-CB 3.46Å; S622-H656 PolarHBondContact OG-CD2 2.89Å; D654-H656 PolarHBondContact O-N 3.39Å; D654-H656 WeakPolarHBondContact OD1-CB 3.32Å; D654-H656 PolarHBondContact OD1-N 3.3Å; H656-R660 WeakPolarHBondContact O-CG 3.44Å; H656-R660 PolarHBondContact O-N 3.33Å; H656-R660 VanDerWaalsContact O-N 3.15Å; H656-R709 PolarHBondContact NE2-NH2 3.13Å |
| 657 | D | 68 | Low | 72.6 | Confident | 62 Ų | 62 | 54.8 Ų | 54.8 | 33% | 0.332 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -75.3 | -39.7 | -177.6 | -91.3 | 14.2 | 0 | 0 | 0 | 113.4 | D654 R660 | D654-D657 HydrophobicContact CB-CB 4.08Å; D654-D657 PolarHBondContact O-N 2.93Å; D654-D657 VanDerWaalsContact O-N 3.08Å; D654-D657 PolarHBondContact OD1-N 3.5Å; D657-R660 WeakPolarHBondContact O-CG 3.41Å; D657-R660 IonicContact OD1-CZ 2.91Å; D657-R660 IonicContact OD1-NE 2.69Å; D657-R660 PolarHBondContact OD1-NE 3.26Å; D657-R660 IonicContact OD1-NH2 3.63Å; D657-R660 PolarHBondContact OD1-NH2 3.27Å; D657-R660 IonicContact OD2-CZ 2.94Å; D657-R660 IonicContact OD2-NE 2.76Å; D657-R660 IonicContact OD2-NH2 3.73Å; D657-R660 PolarHBondContact OD2-NH2 2.76Å |
| 658 | F | 65 | Low | 71.7 | Confident | 89 Ų | 89 | 53.8 Ų | 53.8 | 39% | 0.39 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -70.3 | -37 | 172.9 | -74.9 | -75.7 | 0 | 0 | 0 | 112.6 | F653 D654 N666 V669 | F653-F658 HydrophobicContact CD1-CD2 4.46Å; F653-F658 AromaticContact CD2-CD2 3.55Å; F653-F658 HydrophobicContact CD2-CD2 3.55Å; F653-F658 AromaticContact CD2-CE2 3.7Å; F653-F658 HydrophobicContact CD2-CE2 3.7Å; F653-F658 HydrophobicContact CD2-CG 4.21Å; F653-F658 HydrophobicContact CD2-CZ 4.45Å; F653-F658 HydrophobicContact CE1-CB 4.04Å; F653-F658 HydrophobicContact CE1-CD2 4.23Å; F653-F658 HydrophobicContact CE1-CG 4.39Å; F653-F658 HydrophobicContact CE2-CB 3.88Å; F653-F658 AromaticContact CE2-CD1 3.99Å; F653-F658 HydrophobicContact CE2-CD1 3.99Å; F653-F658 AromaticContact CE2-CD2 3.24Å; F653-F658 HydrophobicContact CE2-CD2 3.24Å; F653-F658 HydrophobicContact CE2-CE1 4.36Å; F653-F658 AromaticContact CE2-CE2 3.7Å; F653-F658 HydrophobicContact CE2-CE2 3.7Å; F653-F658 AromaticContact CE2-CG 3.42Å; F653-F658 HydrophobicContact CE2-CG 3.42Å; F653-F658 VanDerWaalsContact CE2-CG 3.42Å; F653-F658 HydrophobicContact CE2-CZ 4.24Å; F653-F658 HydrophobicContact CG-CD2 4.17Å; F653-F658 HydrophobicContact CZ-CB 3.41Å; F653-F658 VanDerWaalsContact CZ-CB 3.41Å; F653-F658 HydrophobicContact CZ-CD1 4.34Å; F653-F658 AromaticContact CZ-CD2 3.64Å; F653-F658 HydrophobicContact CZ-CD2 3.64Å; F653-F658 AromaticContact CZ-CG 3.54Å; F653-F658 HydrophobicContact CZ-CG 3.54Å; D654-F658 WeakPolarHBondContact O-CD2 3.29Å; D654-F658 PolarHBondContact O-N 3.07Å; F658-N666 WeakPolarHBondContact O-CB 3.18Å; F658-N666 PolarHBondContact O-ND2 2.71Å; F658-V669 HydrophobicContact CE1-CG1 4.22Å |
| 659 | C | 61.6 | Low | 71.2 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 3% | 0.027 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 24.1 | -178.1 | -50 | 0 | 0 | 0 | 0 | 114.3 | F655 S662 Q663 F664 | F655-C659 WeakPolarHBondContact O-CB 3.31Å; F655-C659 PolarHBondContact O-N 2.9Å; F655-C659 PolarHBondContact O-SG 3Å; F655-C659 VanDerWaalsContact O-SG 3.35Å; C659-S662 PolarHBondContact O-N 2.67Å; C659-Q663 PolarHBondContact O-N 3.46Å; C659-F664 HydrophobicContact CB-CD1 3.98Å; C659-F664 HydrophobicContact CB-CE1 4.49Å; C659-F664 HydrophobicContact CB-CG 4.47Å |
| 660 | R | 58.4 | Low | 70.8 | Confident | 147 Ų | 147 | 54.8 Ų | 54.8 | 56% | 0.555 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -50.1 | 149.5 | 175.9 | -73.1 | 178.4 | -179.6 | 177.3 | 1.6 | 111.1 | H656 D657 S662 Q663 | H656-R660 WeakPolarHBondContact O-CG 3.44Å; H656-R660 PolarHBondContact O-N 3.33Å; H656-R660 VanDerWaalsContact O-N 3.15Å; D657-R660 WeakPolarHBondContact O-CG 3.41Å; D657-R660 IonicContact OD1-CZ 2.91Å; D657-R660 IonicContact OD1-NE 2.69Å; D657-R660 PolarHBondContact OD1-NE 3.26Å; D657-R660 IonicContact OD1-NH2 3.63Å; D657-R660 PolarHBondContact OD1-NH2 3.27Å; D657-R660 IonicContact OD2-CZ 2.94Å; D657-R660 IonicContact OD2-NE 2.76Å; D657-R660 IonicContact OD2-NH2 3.73Å; D657-R660 PolarHBondContact OD2-NH2 2.76Å; R660-S662 PolarHBondContact O-N 2.74Å; R660-Q663 WeakPolarHBondContact O-CB 3.35Å; R660-Q663 PolarHBondContact O-N 2.76Å; R660-Q663 VanDerWaalsContact O-N 3.1Å |
| 661 | N | 53.5 | Low | 70.4 | Confident | 145 Ų | 145 | 53.8 Ų | 53.8 | 78% | 0.775 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | 55.6 | 29.6 | -175.3 | -55.1 | -14.1 | 0 | 0 | 0 | 114.1 | Q663 | N661-Q663 HydrophobicContact CB-CG 4.48Å; N661-Q663 PolarHBondContact O-N 3.18Å |
| 662 | S | 53 | Low | 70 | Confident | 20 Ų | 20 | 55.4 Ų | 55.4 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | 56.8 | 24.2 | -173.6 | -77.9 | 0 | 0 | 0 | 0 | 115.1 | C659 R660 F664 R777 E1315 | C659-S662 PolarHBondContact O-N 2.67Å; R660-S662 PolarHBondContact O-N 2.74Å; S662-F664 WeakPolarHBondContact O-CD2 3.14Å; S662-F664 PolarHBondContact O-N 3Å; S662-R777 WeakPolarHBondContact OG-CD 2.99Å; S662-R777 PolarHBondContact OG-NE 2.79Å; S662-R777 PolarHBondContact OG-NH1 3.32Å; S662-E1315 WeakPolarHBondContact CA-OE2 3.43Å; S662-E1315 WeakPolarHBondContact OG-CG 3.33Å; S662-E1315 PolarHBondContact OG-OE2 2.97Å |
| 663 | Q | 56.9 | Low | 69.6 | Low | 108 Ų | 108 | 56.5 Ų | 56.5 | 51% | 0.505 | 31% | 0.306 | S | S | . | . | trans | -79.6 | 56.3 | 173.7 | -64.1 | -171.9 | -7.3 | 0 | 0 | 110.9 | C659 R660 N661 Q665 N666 | C659-Q663 PolarHBondContact O-N 3.46Å; R660-Q663 WeakPolarHBondContact O-CB 3.35Å; R660-Q663 PolarHBondContact O-N 2.76Å; R660-Q663 VanDerWaalsContact O-N 3.1Å; N661-Q663 HydrophobicContact CB-CG 4.48Å; N661-Q663 PolarHBondContact O-N 3.18Å; Q663-Q665 PolarHBondContact O-N 2.88Å; Q663-N666 WeakPolarHBondContact O-CB 3.44Å; Q663-N666 PolarHBondContact O-N 3Å; Q663-N666 PolarHBondContact O-ND2 3.31Å; Q663-N666 PolarHBondContact O-OD1 2.84Å | ||
| 664 | F | 57.8 | Low | 69.6 | Low | 3 Ų | 3 | 56.2 Ų | 56.2 | 1% | 0.013 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -59.2 | -11.6 | 175.8 | -56.9 | -84.3 | 0 | 0 | 0 | 113.9 | F655 C659 S662 N666 A667 L712 K768 Y771 E1315 | F655-F664 HydrophobicContact CE1-CD1 4.02Å; F655-F664 AromaticContact CE1-CE1 3.8Å; F655-F664 HydrophobicContact CE1-CE1 3.8Å; F655-F664 AromaticContact CZ-CD1 3.71Å; F655-F664 HydrophobicContact CZ-CD1 3.71Å; F655-F664 AromaticContact CZ-CE1 3.86Å; F655-F664 HydrophobicContact CZ-CE1 3.86Å; C659-F664 HydrophobicContact CB-CD1 3.98Å; C659-F664 HydrophobicContact CB-CE1 4.49Å; C659-F664 HydrophobicContact CB-CG 4.47Å; S662-F664 WeakPolarHBondContact O-CD2 3.14Å; S662-F664 PolarHBondContact O-N 3Å; F664-N666 PolarHBondContact O-N 3.04Å; F664-A667 WeakPolarHBondContact O-CB 3.35Å; F664-A667 PolarHBondContact O-N 3Å; F664-L712 HydrophobicContact CB-CD2 4.4Å; F664-L712 HydrophobicContact CD1-CD2 4.06Å; F664-K768 HydrophobicContact CE1-CD 3.89Å; F664-K768 HydrophobicContact CZ-CD 3.75Å; F664-K768 HydrophobicContact CZ-CG 4.4Å; F664-Y771 HydrophobicContact CB-CD1 3.88Å; F664-Y771 HydrophobicContact CB-CD2 4.01Å; F664-Y771 HydrophobicContact CB-CE1 3.42Å; F664-Y771 VanDerWaalsContact CB-CE1 3.42Å; F664-Y771 HydrophobicContact CB-CE2 3.56Å; F664-Y771 HydrophobicContact CB-CG 4.19Å; F664-Y771 HydrophobicContact CD2-CD1 4.21Å; F664-Y771 AromaticContact CD2-CD2 3.37Å; F664-Y771 HydrophobicContact CD2-CD2 3.37Å; F664-Y771 HydrophobicContact CD2-CE1 4.47Å; F664-Y771 AromaticContact CD2-CE2 3.67Å; F664-Y771 HydrophobicContact CD2-CE2 3.67Å; F664-Y771 AromaticContact CD2-CG 3.7Å; F664-Y771 HydrophobicContact CD2-CG 3.7Å; F664-Y771 HydrophobicContact CE2-CD2 4.05Å; F664-Y771 HydrophobicContact CE2-CG 4.21Å; F664-Y771 HydrophobicContact CG-CD1 4.02Å; F664-Y771 AromaticContact CG-CD2 3.95Å; F664-Y771 HydrophobicContact CG-CD2 3.95Å; F664-Y771 HydrophobicContact CG-CE1 4.08Å; F664-Y771 AromaticContact CG-CE2 4Å; F664-Y771 HydrophobicContact CG-CE2 4Å; F664-Y771 AromaticContact CG-CG 3.99Å; F664-Y771 HydrophobicContact CG-CG 3.99Å; F664-E1315 WeakPolarHBondContact CZ-OE1 3.45Å |
| 665 | Q | 59.6 | Low | 69.7 | Low | 132 Ų | 132 | 61 Ų | 61 | 62% | 0.617 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -56.9 | -33.6 | 167.3 | -68.2 | -179.1 | -4 | 0 | 0 | 110.6 | Q663 A667 S668 Y771 | Q663-Q665 PolarHBondContact O-N 2.88Å; Q665-A667 PolarHBondContact O-N 2.77Å; Q665-A667 VanDerWaalsContact O-N 3.08Å; Q665-S668 WeakPolarHBondContact O-CB 3.44Å; Q665-S668 PolarHBondContact O-N 3.03Å; Q665-S668 PolarHBondContact O-OG 2.89Å; Q665-Y771 PolarHBondContact N-OH 2.94Å |
| 666 | N | 66.1 | Low | 70 | Confident | 57 Ų | 57 | 65.9 Ų | 65.9 | 31% | 0.305 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -63.2 | -11.5 | 174 | -54.6 | -7.1 | 0 | 0 | 0 | 113.3 | F658 Q663 F664 S668 V669 | F658-N666 WeakPolarHBondContact O-CB 3.18Å; F658-N666 PolarHBondContact O-ND2 2.71Å; Q663-N666 WeakPolarHBondContact O-CB 3.44Å; Q663-N666 PolarHBondContact O-N 3Å; Q663-N666 PolarHBondContact O-ND2 3.31Å; Q663-N666 PolarHBondContact O-OD1 2.84Å; F664-N666 PolarHBondContact O-N 3.04Å; N666-S668 PolarHBondContact O-N 2.8Å; N666-V669 VanDerWaalsContact O-CB 3.26Å; N666-V669 WeakPolarHBondContact O-CB 3.3Å; N666-V669 VanDerWaalsContact O-CG2 3.29Å; N666-V669 WeakPolarHBondContact O-CG2 3.5Å; N666-V669 PolarHBondContact O-N 3.17Å |
| 667 | A | 64.9 | Low | 70.6 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -67.2 | -11.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F664 Q665 V669 L670 M716 | F664-A667 WeakPolarHBondContact O-CB 3.35Å; F664-A667 PolarHBondContact O-N 3Å; Q665-A667 PolarHBondContact O-N 2.77Å; Q665-A667 VanDerWaalsContact O-N 3.08Å; A667-V669 PolarHBondContact O-N 2.74Å; A667-L670 WeakPolarHBondContact O-CB 3.47Å; A667-L670 PolarHBondContact O-N 3.24Å; A667-M716 HydrophobicContact CB-CE 3.62Å; A667-M716 HydrophobicContact CB-SD 3.81Å; A667-M716 WeakPolarHBondContact O-CE 3.39Å |
| 668 | S | 71.6 | Confident | 71.3 | Confident | 59 Ų | 59 | 62.9 Ų | 62.9 | 41% | 0.413 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.7 | -22.8 | 164.6 | 67.3 | 0 | 0 | 0 | 0 | 113.4 | Q665 N666 L670 L671 S672 | Q665-S668 WeakPolarHBondContact O-CB 3.44Å; Q665-S668 PolarHBondContact O-N 3.03Å; Q665-S668 PolarHBondContact O-OG 2.89Å; N666-S668 PolarHBondContact O-N 2.8Å; S668-L670 VanDerWaalsContact C-N 3.29Å; S668-L670 PolarHBondContact O-N 2.97Å; S668-L671 WeakPolarHBondContact O-CA 3.31Å; S668-L671 VanDerWaalsContact O-CB 3.27Å; S668-L671 WeakPolarHBondContact O-CB 3.44Å; S668-L671 PolarHBondContact O-N 3.02Å; S668-S672 PolarHBondContact O-N 2.64Å; S668-S672 PolarHBondContact O-OG 3.45Å |
| 669 | V | 81.8 | Confident | 72 | Confident | 76 Ų | 76 | 67.5 Ų | 67.5 | 46% | 0.461 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.7 | -39.3 | 175.7 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | F658 N666 A667 L671 G673 | F658-V669 HydrophobicContact CE1-CG1 4.22Å; N666-V669 VanDerWaalsContact O-CB 3.26Å; N666-V669 WeakPolarHBondContact O-CB 3.3Å; N666-V669 VanDerWaalsContact O-CG2 3.29Å; N666-V669 WeakPolarHBondContact O-CG2 3.5Å; N666-V669 PolarHBondContact O-N 3.17Å; A667-V669 PolarHBondContact O-N 2.74Å; V669-L671 VanDerWaalsContact C-N 3.25Å; V669-L671 PolarHBondContact O-N 2.64Å; V669-G673 PolarHBondContact O-N 3.4Å |
| 670 | L | 84.1 | Confident | 73.1 | Confident | 7 Ų | 7 | 71.1 Ų | 71.1 | 4% | 0.037 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.6 | -37.1 | 170.6 | 176 | 60.8 | 0 | 0 | 0 | 111.6 | V618 L620 I651 F653 A667 S668 I674 V713 F717 | V618-L670 HydrophobicContact CG1-CD1 4.41Å; V618-L670 HydrophobicContact CG1-CD2 4.01Å; L620-L670 HydrophobicContact CD2-CD2 4.42Å; I651-L670 HydrophobicContact CG2-CD1 3.95Å; F653-L670 HydrophobicContact CB-CD1 4.16Å; F653-L670 HydrophobicContact CD1-CB 4.44Å; F653-L670 HydrophobicContact CD1-CD2 4.08Å; F653-L670 HydrophobicContact CD2-CB 3.84Å; F653-L670 HydrophobicContact CD2-CD1 4.09Å; F653-L670 HydrophobicContact CD2-CG 4.39Å; F653-L670 HydrophobicContact CE1-CB 4.28Å; F653-L670 HydrophobicContact CE1-CD2 4.43Å; F653-L670 HydrophobicContact CE2-CB 3.67Å; F653-L670 HydrophobicContact CG-CB 4.22Å; F653-L670 HydrophobicContact CG-CD1 4.13Å; F653-L670 HydrophobicContact CG-CD2 4.16Å; F653-L670 HydrophobicContact CG-CG 4.4Å; F653-L670 HydrophobicContact CZ-CB 3.9Å; A667-L670 WeakPolarHBondContact O-CB 3.47Å; A667-L670 PolarHBondContact O-N 3.24Å; S668-L670 VanDerWaalsContact C-N 3.29Å; S668-L670 PolarHBondContact O-N 2.97Å; L670-I674 WeakPolarHBondContact O-CG1 3.19Å; L670-I674 PolarHBondContact O-N 3.2Å; L670-V713 HydrophobicContact CD2-CG1 3.89Å; L670-V713 HydrophobicContact CD2-CG2 4.27Å; L670-F717 HydrophobicContact CD2-CE1 4.36Å; L670-F717 HydrophobicContact CD2-CZ 4.23Å; L670-F717 HydrophobicContact CG-CE1 4.49Å |
| 671 | L | 82.9 | Confident | 74.2 | Confident | 35 Ų | 35 | 64.1 Ų | 64.1 | 18% | 0.183 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -71.6 | -47.2 | -177.3 | -169.1 | 72.5 | 0 | 0 | 0 | 111.7 | S668 V669 G673 I674 E675 F678 F717 V720 | S668-L671 WeakPolarHBondContact O-CA 3.31Å; S668-L671 VanDerWaalsContact O-CB 3.27Å; S668-L671 WeakPolarHBondContact O-CB 3.44Å; S668-L671 PolarHBondContact O-N 3.02Å; V669-L671 VanDerWaalsContact C-N 3.25Å; V669-L671 PolarHBondContact O-N 2.64Å; L671-G673 VanDerWaalsContact C-N 3.3Å; L671-G673 PolarHBondContact O-N 3.02Å; L671-I674 CarbonylContact O-C 3.56Å; L671-I674 WeakPolarHBondContact O-CG1 3.35Å; L671-I674 PolarHBondContact O-N 3.43Å; L671-I674 VanDerWaalsContact O-N 3.15Å; L671-E675 PolarHBondContact O-N 2.94Å; L671-E675 VanDerWaalsContact O-N 3.09Å; L671-F678 HydrophobicContact CD1-CE2 3.83Å; L671-F678 HydrophobicContact CD1-CZ 4.16Å; L671-F717 HydrophobicContact CD1-CD1 4.1Å; L671-V720 HydrophobicContact CD1-CG2 3.8Å; L671-V720 HydrophobicContact CD2-CG2 3.7Å; L671-V720 HydrophobicContact CG-CG2 4.16Å |
| 672 | S | 81.9 | Confident | 75.8 | Confident | 78 Ų | 78 | 62 Ų | 62 | 55% | 0.545 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.4 | -37.6 | 174.7 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | S668 I674 E675 | S668-S672 PolarHBondContact O-N 2.64Å; S668-S672 PolarHBondContact O-OG 3.45Å; S672-I674 PolarHBondContact O-N 3.1Å; S672-I674 VanDerWaalsContact O-N 3.14Å; S672-E675 PolarHBondContact O-N 3.25Å |
| 673 | G | 82.3 | Confident | 77.7 | Confident | 64 Ų | 64 | 61.2 Ų | 61.2 | 66% | 0.66 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -5.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | V669 L671 | V669-G673 PolarHBondContact O-N 3.4Å; L671-G673 VanDerWaalsContact C-N 3.3Å; L671-G673 PolarHBondContact O-N 3.02Å |
| 674 | I | 85.8 | Confident | 79.4 | Confident | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.1 | 9 | 177.3 | 69.2 | 179.3 | 0 | 0 | 0 | 113.2 | I651 L670 L671 S672 D676 L677 F678 F699 F717 | I651-I674 HydrophobicContact CD1-CG2 3.36Å; L670-I674 WeakPolarHBondContact O-CG1 3.19Å; L670-I674 PolarHBondContact O-N 3.2Å; L671-I674 CarbonylContact O-C 3.56Å; L671-I674 WeakPolarHBondContact O-CG1 3.35Å; L671-I674 PolarHBondContact O-N 3.43Å; L671-I674 VanDerWaalsContact O-N 3.15Å; S672-I674 PolarHBondContact O-N 3.1Å; S672-I674 VanDerWaalsContact O-N 3.14Å; I674-D676 VanDerWaalsContact C-N 3.34Å; I674-D676 PolarHBondContact O-N 2.87Å; I674-L677 HydrophobicContact CB-CD1 4.08Å; I674-L677 HydrophobicContact CB-CG 4.46Å; I674-L677 HydrophobicContact CG2-CD1 4.16Å; I674-L677 WeakPolarHBondContact O-CB 3.1Å; I674-L677 PolarHBondContact O-N 3.3Å; I674-F678 HydrophobicContact CD1-CE2 3.73Å; I674-F678 HydrophobicContact CD1-CZ 4.25Å; I674-F678 HydrophobicContact CG1-CD2 4.25Å; I674-F678 HydrophobicContact CG1-CE2 3.74Å; I674-F678 PolarHBondContact O-N 2.9Å; I674-F699 HydrophobicContact CD1-CE1 4.07Å; I674-F699 HydrophobicContact CD1-CZ 4.5Å; I674-F717 HydrophobicContact CD1-CD1 4.03Å; I674-F717 HydrophobicContact CD1-CE1 3.37Å; I674-F717 HydrophobicContact CD1-CZ 3.64Å |
| 675 | E | 82 | Confident | 81.1 | Confident | 116 Ų | 116 | 57.6 Ų | 57.6 | 54% | 0.542 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -41.9 | -168.5 | -169.5 | 166.5 | 165.2 | 0 | 0 | 112.1 | L671 S672 L677 F678 | L671-E675 PolarHBondContact O-N 2.94Å; L671-E675 VanDerWaalsContact O-N 3.09Å; S672-E675 PolarHBondContact O-N 3.25Å; E675-L677 VanDerWaalsContact C-N 3.31Å; E675-L677 PolarHBondContact O-N 2.82Å; E675-F678 WeakPolarHBondContact O-CB 3.14Å; E675-F678 PolarHBondContact O-N 2.98Å |
| 676 | D | 81.6 | Confident | 82.7 | Confident | 103 Ų | 103 | 52.6 Ų | 52.6 | 55% | 0.551 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -27.6 | 175.6 | -68.5 | -51.9 | 0 | 0 | 0 | 113.5 | I674 F678 R679 | I674-D676 VanDerWaalsContact C-N 3.34Å; I674-D676 PolarHBondContact O-N 2.87Å; D676-F678 VanDerWaalsContact C-N 3.28Å; D676-F678 PolarHBondContact O-N 3.31Å; D676-R679 WeakPolarHBondContact O-CB 3.23Å; D676-R679 WeakPolarHBondContact O-CG 3.44Å; D676-R679 PolarHBondContact O-N 3.27Å; D676-R679 IonicContact OD1-CZ 3.36Å; D676-R679 IonicContact OD1-NE 3.2Å; D676-R679 PolarHBondContact OD1-NE 3.24Å; D676-R679 IonicContact OD1-NH2 2.94Å; D676-R679 PolarHBondContact OD1-NH2 3.18Å |
| 677 | L | 83.3 | Confident | 83.8 | Confident | 57 Ų | 57 | 50.7 Ų | 50.7 | 30% | 0.298 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.8 | -33.6 | 176.9 | -55.5 | -178 | 0 | 0 | 0 | 111.4 | L616 I674 E675 R679 N680 F681 | L616-L677 HydrophobicContact CD2-CD1 3.9Å; I674-L677 HydrophobicContact CB-CD1 4.08Å; I674-L677 HydrophobicContact CB-CG 4.46Å; I674-L677 HydrophobicContact CG2-CD1 4.16Å; I674-L677 WeakPolarHBondContact O-CB 3.1Å; I674-L677 PolarHBondContact O-N 3.3Å; E675-L677 VanDerWaalsContact C-N 3.31Å; E675-L677 PolarHBondContact O-N 2.82Å; L677-R679 PolarHBondContact O-N 2.98Å; L677-R679 VanDerWaalsContact O-N 3.11Å; L677-N680 WeakPolarHBondContact O-CB 3.32Å; L677-N680 PolarHBondContact O-N 2.87Å; L677-F681 HydrophobicContact CB-CD2 4.37Å; L677-F681 HydrophobicContact CB-CE2 4Å; L677-F681 WeakPolarHBondContact O-CD2 3.27Å; L677-F681 PolarHBondContact O-N 3.28Å |
| 678 | F | 83.3 | Confident | 84.6 | Confident | 18 Ų | 18 | 52.8 Ų | 52.8 | 8% | 0.079 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.1 | -28.3 | 177.2 | -83.5 | -82 | 0 | 0 | 0 | 113.3 | L671 I674 E675 D676 N680 F699 F717 V720 M721 | L671-F678 HydrophobicContact CD1-CE2 3.83Å; L671-F678 HydrophobicContact CD1-CZ 4.16Å; I674-F678 HydrophobicContact CD1-CE2 3.73Å; I674-F678 HydrophobicContact CD1-CZ 4.25Å; I674-F678 HydrophobicContact CG1-CD2 4.25Å; I674-F678 HydrophobicContact CG1-CE2 3.74Å; I674-F678 PolarHBondContact O-N 2.9Å; E675-F678 WeakPolarHBondContact O-CB 3.14Å; E675-F678 PolarHBondContact O-N 2.98Å; D676-F678 VanDerWaalsContact C-N 3.28Å; D676-F678 PolarHBondContact O-N 3.31Å; F678-N680 VanDerWaalsContact C-N 3.28Å; F678-N680 PolarHBondContact O-N 2.72Å; F678-F699 HydrophobicContact CD1-CE2 4.26Å; F678-F699 HydrophobicContact CD1-CZ 4.21Å; F678-F699 AromaticContact CE1-CE2 3.83Å; F678-F699 HydrophobicContact CE1-CE2 3.83Å; F678-F699 AromaticContact CE1-CZ 3.74Å; F678-F699 HydrophobicContact CE1-CZ 3.74Å; F678-F699 HydrophobicContact CE2-CZ 4.28Å; F678-F699 HydrophobicContact CZ-CE2 4.28Å; F678-F699 AromaticContact CZ-CZ 3.77Å; F678-F699 HydrophobicContact CZ-CZ 3.77Å; F678-F717 HydrophobicContact CE1-CB 4.08Å; F678-F717 HydrophobicContact CZ-CB 3.8Å; F678-F717 AromaticContact CZ-CD1 3.85Å; F678-F717 HydrophobicContact CZ-CD1 3.85Å; F678-F717 AromaticContact CZ-CG 3.92Å; F678-F717 HydrophobicContact CZ-CG 3.92Å; F678-V720 HydrophobicContact CD1-CG1 4.26Å; F678-V720 HydrophobicContact CD2-CG1 4.32Å; F678-V720 HydrophobicContact CE1-CG1 4.38Å; F678-V720 HydrophobicContact CE2-CG1 4.41Å; F678-V720 HydrophobicContact CG-CG1 4.24Å; F678-V720 HydrophobicContact CZ-CG1 4.47Å; F678-M721 HydrophobicContact CD1-CE 3.99Å |
| 679 | R | 80.1 | Confident | 85.1 | Confident | 185 Ų | 185 | 56 Ų | 56 | 70% | 0.698 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.3 | -36.8 | 175.5 | -53.9 | -177.5 | -166.2 | -149.4 | 8.5 | 111.6 | D676 L677 | D676-R679 WeakPolarHBondContact O-CB 3.23Å; D676-R679 WeakPolarHBondContact O-CG 3.44Å; D676-R679 PolarHBondContact O-N 3.27Å; D676-R679 IonicContact OD1-CZ 3.36Å; D676-R679 IonicContact OD1-NE 3.2Å; D676-R679 PolarHBondContact OD1-NE 3.24Å; D676-R679 IonicContact OD1-NH2 2.94Å; D676-R679 PolarHBondContact OD1-NH2 3.18Å; L677-R679 PolarHBondContact O-N 2.98Å; L677-R679 VanDerWaalsContact O-N 3.11Å |
| 680 | N | 83.2 | Confident | 85.2 | Confident | 81 Ų | 81 | 53.9 Ų | 53.9 | 43% | 0.433 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -83.7 | -30.4 | -176.9 | -63.2 | -23.8 | 0 | 0 | 0 | 113.1 | L677 F678 K682 W697 | L677-N680 WeakPolarHBondContact O-CB 3.32Å; L677-N680 PolarHBondContact O-N 2.87Å; F678-N680 VanDerWaalsContact C-N 3.28Å; F678-N680 PolarHBondContact O-N 2.72Å; N680-K682 PolarHBondContact O-N 3.33Å; N680-W697 HydrophobicContact CB-CD2 4.3Å; N680-W697 HydrophobicContact CB-CE3 4Å; N680-W697 HydrophobicContact CB-CH2 3.46Å; N680-W697 VanDerWaalsContact CB-CH2 3.46Å; N680-W697 HydrophobicContact CB-CZ2 3.75Å; N680-W697 HydrophobicContact CB-CZ3 3.59Å |
| 681 | F | 83 | Confident | 85.4 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.8 | -36.3 | 179.3 | -87.3 | -80.8 | 0 | 0 | 0 | 113.9 | L616 L677 W697 F699 M721 | L616-F681 HydrophobicContact CB-CE1 4.46Å; L616-F681 HydrophobicContact CB-CZ 3.71Å; L616-F681 HydrophobicContact CD2-CE2 3.98Å; L616-F681 HydrophobicContact CD2-CZ 3.75Å; L616-F681 HydrophobicContact CG-CZ 4.4Å; L677-F681 HydrophobicContact CB-CD2 4.37Å; L677-F681 HydrophobicContact CB-CE2 4Å; L677-F681 WeakPolarHBondContact O-CD2 3.27Å; L677-F681 PolarHBondContact O-N 3.28Å; F681-W697 HydrophobicContact CD1-CB 3.44Å; F681-W697 VanDerWaalsContact CD1-CB 3.44Å; F681-W697 WeakPolarHBondContact CD1-O 3.48Å; F681-W697 HydrophobicContact CD2-CE3 4.34Å; F681-W697 HydrophobicContact CE1-CB 3.59Å; F681-W697 HydrophobicContact CE1-CE3 4.44Å; F681-W697 HydrophobicContact CE2-CE3 4.19Å; F681-W697 HydrophobicContact CG-CB 4.17Å; F681-W697 HydrophobicContact CZ-CB 4.44Å; F681-W697 HydrophobicContact CZ-CE3 4.23Å; F681-F699 HydrophobicContact CB-CE2 4.43Å; F681-F699 AromaticContact CD1-CD2 3.73Å; F681-F699 HydrophobicContact CD1-CD2 3.73Å; F681-F699 AromaticContact CD1-CE2 3.6Å; F681-F699 HydrophobicContact CD1-CE2 3.6Å; F681-F699 HydrophobicContact CD1-CZ 4.3Å; F681-F699 HydrophobicContact CD2-CD2 4.42Å; F681-F699 HydrophobicContact CD2-CE1 4.39Å; F681-F699 AromaticContact CD2-CE2 3.53Å; F681-F699 HydrophobicContact CD2-CE2 3.53Å; F681-F699 AromaticContact CD2-CZ 3.53Å; F681-F699 HydrophobicContact CD2-CZ 3.53Å; F681-F699 HydrophobicContact CE1-CD1 4.28Å; F681-F699 AromaticContact CE1-CD2 3.58Å; F681-F699 HydrophobicContact CE1-CD2 3.58Å; F681-F699 HydrophobicContact CE1-CE1 4.36Å; F681-F699 AromaticContact CE1-CE2 3.68Å; F681-F699 HydrophobicContact CE1-CE2 3.68Å; F681-F699 AromaticContact CE1-CG 3.92Å; F681-F699 HydrophobicContact CE1-CG 3.92Å; F681-F699 HydrophobicContact CE1-CZ 4.09Å; F681-F699 HydrophobicContact CE2-CD1 4.36Å; F681-F699 HydrophobicContact CE2-CD2 4.29Å; F681-F699 AromaticContact CE2-CE1 3.68Å; F681-F699 HydrophobicContact CE2-CE1 3.68Å; F681-F699 AromaticContact CE2-CE2 3.6Å; F681-F699 HydrophobicContact CE2-CE2 3.6Å; F681-F699 AromaticContact CE2-CZ 3.26Å; F681-F699 HydrophobicContact CE2-CZ 3.26Å; F681-F699 HydrophobicContact CG-CD2 4.18Å; F681-F699 AromaticContact CG-CE2 3.57Å; F681-F699 HydrophobicContact CG-CE2 3.57Å; F681-F699 HydrophobicContact CG-CZ 4.08Å; F681-F699 AromaticContact CZ-CD1 3.89Å; F681-F699 HydrophobicContact CZ-CD1 3.89Å; F681-F699 AromaticContact CZ-CD2 3.9Å; F681-F699 HydrophobicContact CZ-CD2 3.9Å; F681-F699 AromaticContact CZ-CE1 3.68Å; F681-F699 HydrophobicContact CZ-CE1 3.68Å; F681-F699 AromaticContact CZ-CE2 3.68Å; F681-F699 HydrophobicContact CZ-CE2 3.68Å; F681-F699 HydrophobicContact CZ-CG 4.01Å; F681-F699 AromaticContact CZ-CZ 3.58Å; F681-F699 HydrophobicContact CZ-CZ 3.58Å; F681-M721 HydrophobicContact CB-CE 4.47Å |
| 682 | K | 86.7 | Confident | 85.7 | Confident | 100 Ų | 100 | 59.5 Ų | 59.5 | 44% | 0.435 | 32% | 0.32 | S | S | . | . | trans | 53 | -158.3 | -168.9 | -56.6 | 177.9 | -175.4 | 177.1 | 0 | 110.7 | N680 M721 | N680-K682 PolarHBondContact O-N 3.33Å; K682-M721 WeakPolarHBondContact O-CE 3.44Å | ||
| 683 | Y | 92.4 | Very high | 86.1 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | trans | -162.8 | 164.4 | 177.1 | 42.5 | -103.1 | 0 | 0 | 0 | 106.7 | V564 V565 W685 C693 E694 Q695 M721 T724 Q725 K728 | V564-Y683 HydrophobicContact CG1-CD2 3.2Å; V564-Y683 HydrophobicContact CG1-CE2 3.34Å; V564-Y683 HydrophobicContact CG1-CG 3.98Å; V565-Y683 WeakPolarHBondContact O-CB 3.27Å; Y683-W685 HydrophobicContact CD2-CB 4.19Å; Y683-W685 HydrophobicContact CE2-CB 4.08Å; Y683-W685 HydrophobicContact CE2-CD2 4.36Å; Y683-W685 HydrophobicContact CE2-CE3 4.12Å; Y683-W685 HydrophobicContact CE2-CG 4.41Å; Y683-C693 PolarHBondContact O-SG 2.88Å; Y683-C693 VanDerWaalsContact O-SG 3.38Å; Y683-E694 CarbonylContact O-C 3.02Å; Y683-E694 VanDerWaalsContact O-C 3.3Å; Y683-Q695 PolarHBondContact O-N 2.57Å; Y683-M721 HydrophobicContact CD1-CE 4.44Å; Y683-M721 HydrophobicContact CD1-SD 3.5Å; Y683-M721 VanDerWaalsContact CD1-SD 3.5Å; Y683-M721 HydrophobicContact CE1-SD 4.12Å; Y683-M721 HydrophobicContact CG-SD 4.46Å; Y683-T724 HydrophobicContact CE1-CG2 4.45Å; Y683-Q725 HydrophobicContact CD1-CG 3.82Å; Y683-Q725 HydrophobicContact CD2-CG 4.41Å; Y683-Q725 HydrophobicContact CE1-CG 3.62Å; Y683-Q725 HydrophobicContact CE2-CG 4.27Å; Y683-Q725 HydrophobicContact CG-CG 4.17Å; Y683-K728 WeakPolarHBondContact OH-CB 3.42Å; Y683-K728 VanDerWaalsContact OH-CD 3.29Å; Y683-K728 WeakPolarHBondContact OH-CD 3.26Å | ||
| 684 | C | 93.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 132.7 | 167.8 | -168.8 | 0 | 0 | 0 | 0 | 109.2 | W190 Q192 V564 V565 C693 | W190-C684 HydrophobicContact CH2-CB 4.49Å; W190-C684 HydrophobicContact CZ3-CB 4.16Å; Q192-C684 HydrophobicContact CB-CB 4.08Å; Q192-C684 HydrophobicContact CG-CB 4.3Å; Q192-C684 VanDerWaalsContact OE1-CB 3.27Å; V564-C684 CarbonylContact C-O 3.05Å; V564-C684 WeakPolarHBondContact CA-O 3.29Å; V564-C684 WeakPolarHBondContact CG1-O 3.2Å; V565-C684 HydrophobicContact CB-CB 4.11Å; V565-C684 PolarHBondContact N-O 2.78Å; V565-C684 PolarHBondContact O-N 3.05Å; C684-C693 CarbonylContact C-O 3.51Å; C684-C693 VanDerWaalsContact CA-O 3.31Å; C684-C693 WeakPolarHBondContact CA-O 3.47Å |
| 685 | W | 94.1 | Very high | 86.9 | Confident | 35 Ų | 35 | 57.5 Ų | 57.5 | 13% | 0.133 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 117.4 | 171.3 | -167.7 | -1 | 0 | 0 | 0 | 109.2 | H562 V564 Y683 V691 I692 C693 K728 I729 | H562-W685 AromaticContact CG-NE1 3.79Å; H562-W685 AromaticContact ND1-CE2 3.69Å; H562-W685 AromaticContact ND1-CZ2 3.68Å; H562-W685 AromaticContact ND1-NE1 3.19Å; H562-W685 PolarHBondContact ND1-NE1 2.78Å; H562-W685 VanDerWaalsContact ND1-NE1 3.19Å; V564-W685 HydrophobicContact CG1-CB 4.42Å; V564-W685 HydrophobicContact CG1-CG 4.45Å; V564-W685 HydrophobicContact CG2-CG 4.19Å; Y683-W685 HydrophobicContact CD2-CB 4.19Å; Y683-W685 HydrophobicContact CE2-CB 4.08Å; Y683-W685 HydrophobicContact CE2-CD2 4.36Å; Y683-W685 HydrophobicContact CE2-CE3 4.12Å; Y683-W685 HydrophobicContact CE2-CG 4.41Å; W685-V691 CarbonylContact O-C 3.58Å; W685-V691 WeakPolarHBondContact O-CA 3.43Å; W685-I692 HydrophobicContact CB-CB 4.27Å; W685-I692 HydrophobicContact CD2-CB 4.44Å; W685-I692 HydrophobicContact CD2-CD1 4.3Å; W685-I692 HydrophobicContact CD2-CG2 4.38Å; W685-I692 HydrophobicContact CE3-CG2 4.01Å; W685-I692 HydrophobicContact CG-CB 4.31Å; W685-I692 PolarHBondContact O-N 3.1Å; W685-C693 WeakPolarHBondContact CB-SG 3.49Å; W685-C693 PolarHBondContact N-O 2.91Å; W685-K728 HydrophobicContact CH2-CB 4.35Å; W685-K728 HydrophobicContact CZ3-CB 4.32Å; W685-I729 HydrophobicContact CZ2-CG1 4.12Å |
| 686 | I | 91.5 | Very high | 87.3 | Confident | 26 Ų | 26 | 57.8 Ų | 57.8 | 13% | 0.133 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 143 | -179.3 | -54.5 | 158.9 | 0 | 0 | 0 | 108.1 | T191 T195 T563 V691 | T191-I686 HydrophobicContact CG2-CD1 3.55Å; T195-I686 HydrophobicContact CG2-CD1 3.68Å; T195-I686 HydrophobicContact CG2-CG1 4.17Å; T563-I686 PolarHBondContact N-O 2.94Å; T563-I686 PolarHBondContact O-N 2.61Å; I686-V691 HydrophobicContact CG1-CG2 4.37Å |
| 687 | T | 89.2 | Confident | 87.9 | Confident | 17 Ų | 17 | 55.1 Ų | 55.1 | 10% | 0.104 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 178 | 174.9 | 64.6 | 0 | 0 | 0 | 0 | 110.2 | H562 N689 G690 I692 | H562-T687 VanDerWaalsContact ND1-CG2 3.28Å; H562-T687 WeakPolarHBondContact ND1-CG2 3.3Å; T687-N689 PolarHBondContact O-N 2.87Å; T687-N689 VanDerWaalsContact O-N 3.1Å; T687-N689 PolarHBondContact OG1-N 3.16Å; T687-G690 PolarHBondContact N-O 3.02Å; T687-G690 PolarHBondContact O-N 3.28Å; T687-G690 PolarHBondContact OG1-O 3.27Å; T687-I692 HydrophobicContact CG2-CD1 3.44Å; T687-I692 VanDerWaalsContact CG2-CD1 3.44Å; T687-I692 HydrophobicContact CG2-CG1 4.12Å |
| 688 | H | 82.5 | Confident | 88.5 | Confident | 45 Ų | 45 | 52.4 Ų | 52.4 | 21% | 0.208 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -25.9 | 169.1 | 67.4 | -78.1 | 0 | 0 | 0 | 114.5 | A376 Y378 F560 | A376-H688 HydrophobicContact CB-CB 3.95Å; Y378-H688 WeakPolarHBondContact CD2-O 3.42Å; Y378-H688 VanDerWaalsContact CE2-O 3.3Å; Y378-H688 WeakPolarHBondContact CE2-O 3.24Å; F560-H688 AromaticContact CD1-CD2 3.88Å; F560-H688 AromaticContact CD1-CE1 3.15Å; F560-H688 WeakPolarHBondContact CD1-CE1 3.33Å; F560-H688 AromaticContact CD1-CG 3.98Å; F560-H688 AromaticContact CD1-ND1 3.54Å; F560-H688 AromaticContact CD1-NE2 3.36Å; F560-H688 WeakPolarHBondContact CD1-NE2 3.38Å; F560-H688 AromaticContact CE1-CE1 3.92Å; F560-H688 AromaticContact CE1-NE2 3.7Å; F560-H688 AromaticContact CG-CE1 3.68Å |
| 689 | N | 82 | Confident | 89 | Confident | 125 Ų | 125 | 51.5 Ų | 51.5 | 67% | 0.668 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 3.7 | 176.5 | -69.9 | -28.2 | 0 | 0 | 0 | 114 | T687 | T687-N689 PolarHBondContact O-N 2.87Å; T687-N689 VanDerWaalsContact O-N 3.1Å; T687-N689 PolarHBondContact OG1-N 3.16Å |
| 690 | G | 84.2 | Confident | 89.7 | Confident | 32 Ų | 32 | 42.7 Ų | 42.7 | 33% | 0.33 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 103.7 | -155.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T687 | T687-G690 PolarHBondContact N-O 3.02Å; T687-G690 PolarHBondContact O-N 3.28Å; T687-G690 PolarHBondContact OG1-O 3.27Å |
| 691 | V | 87.5 | Confident | 90.2 | Very high | 62 Ų | 62 | 38.9 Ų | 38.9 | 38% | 0.376 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 118.8 | -174.7 | -171.3 | 0 | 0 | 0 | 0 | 110.3 | T195 W685 I686 C693 E694 | T195-V691 HydrophobicContact CG2-CG2 4.23Å; W685-V691 CarbonylContact O-C 3.58Å; W685-V691 WeakPolarHBondContact O-CA 3.43Å; I686-V691 HydrophobicContact CG1-CG2 4.37Å; V691-C693 VanDerWaalsContact CG1-O 3.31Å; V691-C693 WeakPolarHBondContact CG1-O 3.22Å; V691-E694 HydrophobicContact CG1-CG 3.97Å |
| 692 | I | 89.8 | Confident | 90.6 | Very high | 98 Ų | 98 | 38.9 Ų | 38.9 | 50% | 0.503 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -41 | 174.3 | -67.6 | -177.6 | 0 | 0 | 0 | 110.8 | W685 T687 | W685-I692 HydrophobicContact CB-CB 4.27Å; W685-I692 HydrophobicContact CD2-CB 4.44Å; W685-I692 HydrophobicContact CD2-CD1 4.3Å; W685-I692 HydrophobicContact CD2-CG2 4.38Å; W685-I692 HydrophobicContact CE3-CG2 4.01Å; W685-I692 HydrophobicContact CG-CB 4.31Å; W685-I692 PolarHBondContact O-N 3.1Å; T687-I692 HydrophobicContact CG2-CD1 3.44Å; T687-I692 VanDerWaalsContact CG2-CD1 3.44Å; T687-I692 HydrophobicContact CG2-CG1 4.12Å |
| 693 | C | 90.5 | Very high | 90.5 | Very high | 34 Ų | 34 | 34.2 Ų | 34.2 | 23% | 0.23 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 160.7 | 175.3 | 61.2 | 0 | 0 | 0 | 0 | 111.9 | Y683 C684 W685 V691 | Y683-C693 PolarHBondContact O-SG 2.88Å; Y683-C693 VanDerWaalsContact O-SG 3.38Å; C684-C693 CarbonylContact C-O 3.51Å; C684-C693 VanDerWaalsContact CA-O 3.31Å; C684-C693 WeakPolarHBondContact CA-O 3.47Å; W685-C693 WeakPolarHBondContact CB-SG 3.49Å; W685-C693 PolarHBondContact N-O 2.91Å; V691-C693 VanDerWaalsContact CG1-O 3.31Å; V691-C693 WeakPolarHBondContact CG1-O 3.22Å |
| 694 | E | 91 | Very high | 90 | Very high | 68 Ų | 68 | 35.1 Ų | 35.1 | 32% | 0.318 | 18% | 0.18 | S | C | . | . | trans | -116.6 | 148.3 | 180 | -64.6 | 176.8 | 136.8 | 0 | 0 | 110.4 | Q192 Y683 V691 R696 | Q192-E694 HydrophobicContact CG-CG 4.43Å; Y683-E694 CarbonylContact O-C 3.02Å; Y683-E694 VanDerWaalsContact O-C 3.3Å; V691-E694 HydrophobicContact CG1-CG 3.97Å; E694-R696 PolarHBondContact O-N 2.68Å | ||
| 695 | Q | 93.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | trans | -74.8 | 121.1 | 162.9 | -168.6 | 178.1 | -29.3 | 0 | 0 | 108.4 | W190 Q192 L567 Y683 W697 | W190-Q695 HydrophobicContact CH2-CB 4.11Å; Q192-Q695 PolarHBondContact NE2-O 3.33Å; L567-Q695 PolarHBondContact O-NE2 3.15Å; Y683-Q695 PolarHBondContact O-N 2.57Å; Q695-W697 WeakPolarHBondContact CG-O 3.48Å; Q695-W697 PolarHBondContact NE2-O 2.99Å | ||
| 696 | R | 91.4 | Very high | 87.1 | Confident | 122 Ų | 122 | 34.6 Ų | 34.6 | 46% | 0.46 | 18% | 0.18 | S | C | . | . | trans | -108.4 | -20.8 | 178.6 | -68.4 | -167.4 | 178.9 | -177.1 | -3.4 | 114.2 | F612 E613 E694 | F612-R696 CarbonylContact C-O 3.51Å; F612-R696 WeakPolarHBondContact CA-O 3.33Å; F612-R696 WeakPolarHBondContact CB-O 3.47Å; E613-R696 HydrophobicContact CB-CB 4.13Å; E613-R696 PolarHBondContact N-O 3.09Å; E613-R696 VanDerWaalsContact OE2-CD 3.3Å; E613-R696 WeakPolarHBondContact OE2-CD 3.32Å; E613-R696 IonicContact OE2-NH1 3.73Å; E694-R696 PolarHBondContact O-N 2.68Å | ||
| 697 | W | 93.9 | Very high | 86.3 | Confident | 47 Ų | 47 | 33.5 Ų | 33.5 | 18% | 0.178 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 149.9 | 179.2 | -59.2 | 8.9 | 0 | 0 | 0 | 110.8 | E613 R614 N680 F681 Q695 | E613-W697 PolarHBondContact OE1-NE1 2.9Å; R614-W697 HydrophobicContact CB-CD2 3.97Å; R614-W697 HydrophobicContact CB-CG 3.89Å; R614-W697 VanDerWaalsContact CD-CZ2 3.48Å; R614-W697 CarbonylContact O-C 3.3Å; R614-W697 VanDerWaalsContact O-CA 3.23Å; R614-W697 WeakPolarHBondContact O-CA 3.42Å; N680-W697 HydrophobicContact CB-CD2 4.3Å; N680-W697 HydrophobicContact CB-CE3 4Å; N680-W697 HydrophobicContact CB-CH2 3.46Å; N680-W697 VanDerWaalsContact CB-CH2 3.46Å; N680-W697 HydrophobicContact CB-CZ2 3.75Å; N680-W697 HydrophobicContact CB-CZ3 3.59Å; F681-W697 HydrophobicContact CD1-CB 3.44Å; F681-W697 VanDerWaalsContact CD1-CB 3.44Å; F681-W697 WeakPolarHBondContact CD1-O 3.48Å; F681-W697 HydrophobicContact CD2-CE3 4.34Å; F681-W697 HydrophobicContact CE1-CB 3.59Å; F681-W697 HydrophobicContact CE1-CE3 4.44Å; F681-W697 HydrophobicContact CE2-CE3 4.19Å; F681-W697 HydrophobicContact CG-CB 4.17Å; F681-W697 HydrophobicContact CZ-CB 4.44Å; F681-W697 HydrophobicContact CZ-CE3 4.23Å; Q695-W697 WeakPolarHBondContact CG-O 3.48Å; Q695-W697 PolarHBondContact NE2-O 2.99Å |
| 698 | L | 94.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 128.1 | -177 | -179.9 | 65.2 | 0 | 0 | 0 | 113.1 | C569 F612 R614 L616 | C569-L698 HydrophobicContact CB-CD1 4.11Å; C569-L698 HydrophobicContact CB-CD2 4.06Å; C569-L698 HydrophobicContact CB-CG 4.34Å; F612-L698 HydrophobicContact CB-CB 4.2Å; F612-L698 HydrophobicContact CD1-CB 3.98Å; F612-L698 HydrophobicContact CD2-CB 3.92Å; F612-L698 HydrophobicContact CD2-CD2 3.79Å; F612-L698 HydrophobicContact CD2-CG 4.36Å; F612-L698 HydrophobicContact CE1-CB 4.41Å; F612-L698 HydrophobicContact CE2-CB 4.36Å; F612-L698 HydrophobicContact CE2-CD1 4.41Å; F612-L698 HydrophobicContact CE2-CD2 3.86Å; F612-L698 HydrophobicContact CE2-CG 4.44Å; F612-L698 HydrophobicContact CG-CB 3.73Å; F612-L698 HydrophobicContact CG-CD2 4.47Å; F612-L698 HydrophobicContact CZ-CD1 4.34Å; R614-L698 PolarHBondContact O-N 3.02Å; L616-L698 PolarHBondContact N-O 3.44Å |
| 699 | F | 94.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 121.5 | 163.2 | -74.4 | -81.1 | 0 | 0 | 0 | 110.1 | F566 C569 L616 V618 I674 F678 F681 F717 | F566-F699 HydrophobicContact CE2-CD2 4.01Å; F566-F699 HydrophobicContact CE2-CE2 4.19Å; F566-F699 AromaticContact CZ-CD2 3.71Å; F566-F699 HydrophobicContact CZ-CD2 3.71Å; F566-F699 AromaticContact CZ-CE2 3.85Å; F566-F699 HydrophobicContact CZ-CE2 3.85Å; C569-F699 PolarHBondContact N-O 3.45Å; L616-F699 HydrophobicContact CD2-CD1 4.09Å; L616-F699 HydrophobicContact CD2-CE1 3.78Å; V618-F699 HydrophobicContact CG2-CD1 4.37Å; I674-F699 HydrophobicContact CD1-CE1 4.07Å; I674-F699 HydrophobicContact CD1-CZ 4.5Å; F678-F699 HydrophobicContact CD1-CE2 4.26Å; F678-F699 HydrophobicContact CD1-CZ 4.21Å; F678-F699 AromaticContact CE1-CE2 3.83Å; F678-F699 HydrophobicContact CE1-CE2 3.83Å; F678-F699 AromaticContact CE1-CZ 3.74Å; F678-F699 HydrophobicContact CE1-CZ 3.74Å; F678-F699 HydrophobicContact CE2-CZ 4.28Å; F678-F699 HydrophobicContact CZ-CE2 4.28Å; F678-F699 AromaticContact CZ-CZ 3.77Å; F678-F699 HydrophobicContact CZ-CZ 3.77Å; F681-F699 HydrophobicContact CB-CE2 4.43Å; F681-F699 AromaticContact CD1-CD2 3.73Å; F681-F699 HydrophobicContact CD1-CD2 3.73Å; F681-F699 AromaticContact CD1-CE2 3.6Å; F681-F699 HydrophobicContact CD1-CE2 3.6Å; F681-F699 HydrophobicContact CD1-CZ 4.3Å; F681-F699 HydrophobicContact CD2-CD2 4.42Å; F681-F699 HydrophobicContact CD2-CE1 4.39Å; F681-F699 AromaticContact CD2-CE2 3.53Å; F681-F699 HydrophobicContact CD2-CE2 3.53Å; F681-F699 AromaticContact CD2-CZ 3.53Å; F681-F699 HydrophobicContact CD2-CZ 3.53Å; F681-F699 HydrophobicContact CE1-CD1 4.28Å; F681-F699 AromaticContact CE1-CD2 3.58Å; F681-F699 HydrophobicContact CE1-CD2 3.58Å; F681-F699 HydrophobicContact CE1-CE1 4.36Å; F681-F699 AromaticContact CE1-CE2 3.68Å; F681-F699 HydrophobicContact CE1-CE2 3.68Å; F681-F699 AromaticContact CE1-CG 3.92Å; F681-F699 HydrophobicContact CE1-CG 3.92Å; F681-F699 HydrophobicContact CE1-CZ 4.09Å; F681-F699 HydrophobicContact CE2-CD1 4.36Å; F681-F699 HydrophobicContact CE2-CD2 4.29Å; F681-F699 AromaticContact CE2-CE1 3.68Å; F681-F699 HydrophobicContact CE2-CE1 3.68Å; F681-F699 AromaticContact CE2-CE2 3.6Å; F681-F699 HydrophobicContact CE2-CE2 3.6Å; F681-F699 AromaticContact CE2-CZ 3.26Å; F681-F699 HydrophobicContact CE2-CZ 3.26Å; F681-F699 HydrophobicContact CG-CD2 4.18Å; F681-F699 AromaticContact CG-CE2 3.57Å; F681-F699 HydrophobicContact CG-CE2 3.57Å; F681-F699 HydrophobicContact CG-CZ 4.08Å; F681-F699 AromaticContact CZ-CD1 3.89Å; F681-F699 HydrophobicContact CZ-CD1 3.89Å; F681-F699 AromaticContact CZ-CD2 3.9Å; F681-F699 HydrophobicContact CZ-CD2 3.9Å; F681-F699 AromaticContact CZ-CE1 3.68Å; F681-F699 HydrophobicContact CZ-CE1 3.68Å; F681-F699 AromaticContact CZ-CE2 3.68Å; F681-F699 HydrophobicContact CZ-CE2 3.68Å; F681-F699 HydrophobicContact CZ-CG 4.01Å; F681-F699 AromaticContact CZ-CZ 3.58Å; F681-F699 HydrophobicContact CZ-CZ 3.58Å; F699-F717 HydrophobicContact CB-CD2 4.46Å; F699-F717 AromaticContact CD1-CD2 3.68Å; F699-F717 HydrophobicContact CD1-CD2 3.68Å; F699-F717 AromaticContact CD1-CE2 3.49Å; F699-F717 HydrophobicContact CD1-CE2 3.49Å; F699-F717 VanDerWaalsContact CD1-CE2 3.49Å; F699-F717 HydrophobicContact CD1-CZ 4.37Å; F699-F717 HydrophobicContact CD2-CD2 4.43Å; F699-F717 AromaticContact CE1-CD2 3.88Å; F699-F717 HydrophobicContact CE1-CD2 3.88Å; F699-F717 AromaticContact CE1-CE2 3.74Å; F699-F717 HydrophobicContact CE1-CE2 3.74Å; F699-F717 HydrophobicContact CE1-CG 4.49Å; F699-F717 HydrophobicContact CE1-CZ 4.26Å; F699-F717 AromaticContact CG-CD2 3.97Å; F699-F717 HydrophobicContact CG-CD2 3.97Å; F699-F717 HydrophobicContact CG-CE2 4.18Å; F699-F717 HydrophobicContact CZ-CD2 4.33Å |
| 700 | H | 94.8 | Very high | 86 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 100 | 172.3 | 179.7 | -75.3 | 0 | 0 | 0 | 110.4 | C569 Y604 W605 I615 L616 I617 V618 | C569-H700 WeakPolarHBondContact O-CA 3.36Å; Y604-H700 AromaticContact CE1-NE2 3.88Å; Y604-H700 AromaticContact CZ-NE2 3.74Å; Y604-H700 PolarHBondContact OH-CD2 2.67Å; Y604-H700 PolarHBondContact OH-NE2 2.77Å; W605-H700 HydrophobicContact CH2-CB 4.29Å; W605-H700 AromaticContact CH2-CG 3.76Å; W605-H700 AromaticContact CH2-ND1 3.75Å; W605-H700 HydrophobicContact CZ3-CB 4.31Å; I615-H700 HydrophobicContact CG2-CB 4.17Å; L616-H700 PolarHBondContact O-N 3.48Å; I617-H700 WeakPolarHBondContact CA-O 3.37Å; V618-H700 PolarHBondContact N-O 3.18Å |
| 701 | V | 94.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 121.4 | -175.4 | -168 | 0 | 0 | 0 | 0 | 110.8 | C569 R570 V618 L620 T710 V713 Q714 F717 | C569-V701 PolarHBondContact O-N 3.19Å; R570-V701 VanDerWaalsContact CA-O 3.24Å; R570-V701 WeakPolarHBondContact CA-O 3.42Å; R570-V701 WeakPolarHBondContact CB-O 3.49Å; V618-V701 HydrophobicContact CB-CG1 4.43Å; V618-V701 HydrophobicContact CB-CG2 4.34Å; V618-V701 WeakPolarHBondContact O-CA 3.23Å; L620-V701 HydrophobicContact CD1-CG1 3.73Å; L620-V701 HydrophobicContact CG-CG1 4.11Å; V701-T710 HydrophobicContact CG1-CG2 3.96Å; V701-V713 HydrophobicContact CG1-CB 4.3Å; V701-V713 HydrophobicContact CG1-CG1 4.12Å; V701-V713 HydrophobicContact CG2-CG1 4.45Å; V701-Q714 HydrophobicContact CB-CG 4.28Å; V701-Q714 HydrophobicContact CG2-CG 3.84Å; V701-F717 HydrophobicContact CG2-CE2 4.08Å |
| 702 | N | 91.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 161.9 | -178.6 | 76.1 | -84.1 | 0 | 0 | 0 | 112.7 | I617 V618 N619 L620 F636 | I617-N702 VanDerWaalsContact CG2-OD1 3.31Å; I617-N702 WeakPolarHBondContact CG2-OD1 3.2Å; V618-N702 PolarHBondContact O-N 2.85Å; V618-N702 PolarHBondContact O-OD1 3.32Å; N619-N702 WeakPolarHBondContact CA-OD1 3.2Å; N619-N702 PolarHBondContact OD1-ND2 3.36Å; L620-N702 WeakPolarHBondContact CB-O 3.39Å; L620-N702 PolarHBondContact N-O 3.33Å; F636-N702 WeakPolarHBondContact CE1-OD1 3.5Å |
| 703 | C | 84.5 | Confident | 86.3 | Confident | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.014 | 9% | 0.087 | C | C | . | . | trans | -165.9 | 169.2 | -171.5 | 177.2 | 0 | 0 | 0 | 0 | 108.9 | L620 D705 R709 T710 | L620-C703 HydrophobicContact CB-CB 4.29Å; C703-D705 VanDerWaalsContact CB-O 3.26Å; C703-D705 WeakPolarHBondContact CB-O 3.36Å; C703-D705 PolarHBondContact O-N 3.2Å; C703-D705 PolarHBondContact SG-N 3.46Å; C703-D705 PolarHBondContact SG-O 2.86Å; C703-R709 VanDerWaalsContact SG-CD 3.51Å; C703-T710 HydrophobicContact CB-CG2 3.53Å | ||
| 704 | L | 80.1 | Confident | 86.5 | Confident | 23 Ų | 23 | 17.2 Ų | 17.2 | 12% | 0.12 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -59.7 | -33.4 | 169.1 | -167.2 | 76.1 | 0 | 0 | 0 | 111.4 | R535 W577 I588 L621 E629 L632 | R535-L704 PolarHBondContact NH1-O 3.01Å; W577-L704 HydrophobicContact CH2-CD1 3.58Å; W577-L704 HydrophobicContact CH2-CG 4.25Å; W577-L704 HydrophobicContact CZ3-CD1 3.58Å; I588-L704 HydrophobicContact CD1-CD1 3.47Å; I588-L704 VanDerWaalsContact CD1-CD1 3.47Å; I588-L704 HydrophobicContact CG1-CD1 4.08Å; L621-L704 HydrophobicContact CD2-CB 3.74Å; L621-L704 HydrophobicContact CD2-CD1 4.34Å; L621-L704 VanDerWaalsContact CD2-N 3.26Å; E629-L704 HydrophobicContact CG-CB 4.4Å; E629-L704 HydrophobicContact CG-CD1 4.36Å; E629-L704 HydrophobicContact CG-CD2 4.15Å; E629-L704 VanDerWaalsContact OE1-CB 3.27Å; E629-L704 WeakPolarHBondContact OE1-CB 3.46Å; E629-L704 VanDerWaalsContact OE1-CD2 3.32Å; E629-L704 WeakPolarHBondContact OE1-CD2 3.48Å; L632-L704 HydrophobicContact CD2-CD1 4.09Å |
| 705 | D | 68.2 | Low | 86.6 | Confident | 15 Ų | 15 | 14.3 Ų | 14.3 | 8% | 0.08 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -128.7 | 117.1 | 166.8 | -71.7 | -77.9 | 0 | 0 | 0 | 109.2 | R531 R535 C703 L707 | R531-D705 WeakPolarHBondContact CG-OD1 3.42Å; R531-D705 IonicContact CZ-OD1 3.4Å; R531-D705 IonicContact CZ-OD2 2.99Å; R531-D705 VanDerWaalsContact NE-CG 3.31Å; R531-D705 IonicContact NE-OD1 2.8Å; R531-D705 PolarHBondContact NE-OD1 2.89Å; R531-D705 IonicContact NE-OD2 3.77Å; R531-D705 PolarHBondContact NE-OD2 2.83Å; R531-D705 IonicContact NH2-OD1 3.62Å; R531-D705 IonicContact NH2-OD2 3.13Å; R531-D705 PolarHBondContact NH2-OD2 2.87Å; R535-D705 IonicContact CZ-OD1 2.86Å; R535-D705 IonicContact NH1-OD1 2.75Å; R535-D705 IonicContact NH2-OD1 3.23Å; R535-D705 PolarHBondContact NH2-OD1 3.43Å; R535-D705 IonicContact NH2-OD2 2.69Å; C703-D705 VanDerWaalsContact CB-O 3.26Å; C703-D705 WeakPolarHBondContact CB-O 3.36Å; C703-D705 PolarHBondContact O-N 3.2Å; C703-D705 PolarHBondContact SG-N 3.46Å; C703-D705 PolarHBondContact SG-O 2.86Å; D705-L707 PolarHBondContact O-N 2.8Å |
| 706 | C | 59.9 | Low | 86.4 | Confident | 9 Ų | 9 | 15.9 Ų | 15.9 | 6% | 0.061 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 44.7 | -174.9 | 60.5 | 0 | 0 | 0 | 0 | 113.6 | R570 G571 T710 | R570-C706 WeakPolarHBondContact CD-O 3.38Å; R570-C706 PolarHBondContact NH1-O 2.91Å; R570-C706 VanDerWaalsContact NH1-O 3.16Å; G571-C706 WeakPolarHBondContact O-CB 3.41Å; C706-T710 PolarHBondContact O-OG1 2.85Å |
| 707 | L | 73.5 | Confident | 86.5 | Confident | 3 Ų | 3 | 10.1 Ų | 10.1 | 2% | 0.016 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -142.6 | -88.2 | -164.4 | -175.2 | 76.1 | 0 | 0 | 0 | 111.9 | D705 R709 T710 N711 I757 S758 | D705-L707 PolarHBondContact O-N 2.8Å; L707-R709 PolarHBondContact O-N 3.19Å; L707-T710 PolarHBondContact N-OG1 3.1Å; L707-T710 VanDerWaalsContact N-OG1 3.15Å; L707-T710 PolarHBondContact O-N 2.69Å; L707-T710 PolarHBondContact O-OG1 3.01Å; L707-N711 WeakPolarHBondContact O-CB 3.48Å; L707-N711 PolarHBondContact O-N 3Å; L707-I757 HydrophobicContact CD1-CB 4.24Å; L707-I757 HydrophobicContact CD1-CG2 4.09Å; L707-S758 VanDerWaalsContact CD2-CB 3.47Å; L707-S758 VanDerWaalsContact CD2-OG 3.29Å; L707-S758 WeakPolarHBondContact CD2-OG 3.14Å |
| 708 | D | 74.4 | Confident | 86.5 | Confident | 27 Ų | 27 | 7.9 Ų | 7.9 | 14% | 0.144 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -66.1 | -44.5 | -163 | -56.7 | -38.6 | 0 | 0 | 0 | 111.2 | A766 M767 R792 | D708-A766 VanDerWaalsContact OD1-CA 3.27Å; D708-A766 WeakPolarHBondContact OD1-CA 3.24Å; D708-A766 WeakPolarHBondContact OD1-CB 3.34Å; D708-M767 WeakPolarHBondContact CB-O 3.37Å; D708-M767 PolarHBondContact OD1-N 2.57Å; D708-R792 IonicContact OD1-NH2 3.64Å; D708-R792 PolarHBondContact OD1-NH2 3.2Å; D708-R792 IonicContact OD2-CZ 3.99Å; D708-R792 IonicContact OD2-NH1 3.75Å; D708-R792 PolarHBondContact OD2-NH1 2.86Å; D708-R792 IonicContact OD2-NH2 2.99Å; D708-R792 PolarHBondContact OD2-NH2 2.87Å |
| 709 | R | 84.2 | Confident | 86.4 | Confident | 26 Ų | 26 | 9.1 Ų | 9.1 | 10% | 0.098 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -72.6 | -46.4 | 173.2 | -52.8 | -175.6 | -151.2 | 151.5 | 9.6 | 112.2 | L620 E629 F655 H656 C703 L707 N711 L712 V713 | L620-R709 HydrophobicContact CB-CB 4.41Å; L620-R709 HydrophobicContact CD1-CB 3.82Å; L620-R709 PolarHBondContact O-NH1 2.94Å; E629-R709 IonicContact OE1-CZ 2.63Å; E629-R709 IonicContact OE1-NH1 2.99Å; E629-R709 PolarHBondContact OE1-NH1 3.42Å; E629-R709 IonicContact OE1-NH2 3.59Å; E629-R709 PolarHBondContact OE1-NH2 3.13Å; E629-R709 IonicContact OE2-CZ 2.66Å; E629-R709 IonicContact OE2-NH1 2.94Å; E629-R709 PolarHBondContact OE2-NH1 3.41Å; E629-R709 IonicContact OE2-NH2 3.67Å; E629-R709 PolarHBondContact OE2-NH2 2.83Å; F655-R709 HydrophobicContact CD1-CB 4.24Å; F655-R709 HydrophobicContact CD1-CG 3.73Å; F655-R709 HydrophobicContact CD2-CB 4.37Å; F655-R709 HydrophobicContact CE1-CB 4.27Å; F655-R709 HydrophobicContact CE1-CG 3.87Å; F655-R709 HydrophobicContact CE2-CB 4.4Å; F655-R709 HydrophobicContact CG-CB 4.29Å; F655-R709 HydrophobicContact CG-CG 4.17Å; F655-R709 HydrophobicContact CZ-CB 4.34Å; F655-R709 HydrophobicContact CZ-CG 4.43Å; H656-R709 PolarHBondContact NE2-NH2 3.13Å; C703-R709 VanDerWaalsContact SG-CD 3.51Å; L707-R709 PolarHBondContact O-N 3.19Å; R709-N711 PolarHBondContact O-N 2.86Å; R709-L712 PolarHBondContact O-N 2.79Å; R709-V713 PolarHBondContact O-N 3.43Å |
| 710 | T | 89.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -68.4 | -36.5 | -171 | 67.5 | 0 | 0 | 0 | 0 | 112.6 | L620 V701 C703 C706 L707 L712 V713 Q714 | L620-T710 HydrophobicContact CD1-CG2 4.15Å; V701-T710 HydrophobicContact CG1-CG2 3.96Å; C703-T710 HydrophobicContact CB-CG2 3.53Å; C706-T710 PolarHBondContact O-OG1 2.85Å; L707-T710 PolarHBondContact N-OG1 3.1Å; L707-T710 VanDerWaalsContact N-OG1 3.15Å; L707-T710 PolarHBondContact O-N 2.69Å; L707-T710 PolarHBondContact O-OG1 3.01Å; T710-L712 VanDerWaalsContact C-N 3.29Å; T710-L712 PolarHBondContact O-N 2.78Å; T710-V713 PolarHBondContact O-N 3.33Å; T710-Q714 WeakPolarHBondContact O-CB 3.38Å; T710-Q714 WeakPolarHBondContact O-CG 3.32Å; T710-Q714 PolarHBondContact O-N 3.32Å |
| 711 | N | 91.1 | Very high | 86.1 | Confident | 5 Ų | 5 | 10.9 Ų | 10.9 | 3% | 0.027 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -68.9 | -29 | -179.2 | -165.1 | 97.6 | 0 | 0 | 0 | 112 | R570 L707 R709 C715 W750 G754 | R570-N711 PolarHBondContact NH2-OD1 3.01Å; L707-N711 WeakPolarHBondContact O-CB 3.48Å; L707-N711 PolarHBondContact O-N 3Å; R709-N711 PolarHBondContact O-N 2.86Å; N711-C715 VanDerWaalsContact O-CB 3.22Å; N711-C715 WeakPolarHBondContact O-CB 3.36Å; N711-C715 PolarHBondContact O-N 3.05Å; N711-C715 VanDerWaalsContact O-N 3.14Å; N711-W750 PolarHBondContact ND2-O 2.85Å; N711-G754 VanDerWaalsContact OD1-CA 3.22Å; N711-G754 WeakPolarHBondContact OD1-CA 3.31Å; N711-G754 PolarHBondContact OD1-N 3.39Å |
| 712 | L | 86.9 | Confident | 86 | Confident | 14 Ų | 14 | 11 Ų | 11 | 7% | 0.073 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -68.5 | -48.6 | 171 | -179.9 | 60.6 | 0 | 0 | 0 | 110.9 | F655 F664 R709 T710 C715 M716 Y771 | F655-L712 HydrophobicContact CE2-CD2 4.18Å; F655-L712 HydrophobicContact CZ-CD2 3.96Å; F664-L712 HydrophobicContact CB-CD2 4.4Å; F664-L712 HydrophobicContact CD1-CD2 4.06Å; R709-L712 PolarHBondContact O-N 2.79Å; T710-L712 VanDerWaalsContact C-N 3.29Å; T710-L712 PolarHBondContact O-N 2.78Å; L712-C715 WeakPolarHBondContact O-CB 3.18Å; L712-C715 PolarHBondContact O-N 2.98Å; L712-C715 VanDerWaalsContact O-N 3.15Å; L712-M716 WeakPolarHBondContact O-CG 3.3Å; L712-M716 PolarHBondContact O-N 3.26Å; L712-Y771 HydrophobicContact CD1-CD1 3.68Å; L712-Y771 HydrophobicContact CD1-CE1 3.84Å; L712-Y771 HydrophobicContact CD2-CD1 3.63Å; L712-Y771 HydrophobicContact CD2-CE1 3.85Å; L712-Y771 HydrophobicContact CG-CD1 4.32Å; L712-Y771 HydrophobicContact CG-CE1 4.49Å |
| 713 | V | 90.2 | Very high | 86 | Confident | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.1 | -45.1 | -179.6 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | V618 L620 F655 L670 V701 R709 T710 C715 M716 F717 | V618-V713 HydrophobicContact CG1-CG1 4.32Å; L620-V713 HydrophobicContact CD1-CB 4.09Å; L620-V713 HydrophobicContact CD1-CG2 3.61Å; L620-V713 HydrophobicContact CD2-CG2 3.97Å; L620-V713 HydrophobicContact CG-CG2 4.46Å; F655-V713 HydrophobicContact CD2-CG2 4.41Å; F655-V713 HydrophobicContact CE2-CG2 4.29Å; L670-V713 HydrophobicContact CD2-CG1 3.89Å; L670-V713 HydrophobicContact CD2-CG2 4.27Å; V701-V713 HydrophobicContact CG1-CB 4.3Å; V701-V713 HydrophobicContact CG1-CG1 4.12Å; V701-V713 HydrophobicContact CG2-CG1 4.45Å; R709-V713 PolarHBondContact O-N 3.43Å; T710-V713 PolarHBondContact O-N 3.33Å; V713-C715 VanDerWaalsContact C-N 3.28Å; V713-C715 PolarHBondContact O-N 3.24Å; V713-M716 HydrophobicContact CB-CE 4.41Å; V713-M716 HydrophobicContact CG2-CE 4.03Å; V713-M716 PolarHBondContact O-N 2.81Å; V713-M716 VanDerWaalsContact O-N 3.15Å; V713-F717 HydrophobicContact CG1-CD1 4.4Å; V713-F717 HydrophobicContact CG1-CD2 4.3Å; V713-F717 HydrophobicContact CG1-CE1 3.71Å; V713-F717 HydrophobicContact CG1-CE2 3.61Å; V713-F717 HydrophobicContact CG1-CZ 3.28Å; V713-F717 WeakPolarHBondContact O-CD1 3.43Å; V713-F717 WeakPolarHBondContact O-CG 3.43Å; V713-F717 PolarHBondContact O-N 3.23Å; V713-F717 VanDerWaalsContact O-N 3.09Å |
| 714 | Q | 93.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61 | -34.9 | 173.7 | -70.5 | -176.8 | -43.4 | 0 | 0 | 112.7 | Q568 C569 V701 T710 A718 W750 | Q568-Q714 HydrophobicContact CB-CG 4.44Å; Q568-Q714 PolarHBondContact NE2-O 3.25Å; Q568-Q714 VanDerWaalsContact OE1-CA 3.28Å; Q568-Q714 PolarHBondContact OE1-O 2.92Å; C569-Q714 PolarHBondContact O-NE2 3.08Å; C569-Q714 VanDerWaalsContact O-NE2 3.16Å; V701-Q714 HydrophobicContact CB-CG 4.28Å; V701-Q714 HydrophobicContact CG2-CG 3.84Å; T710-Q714 WeakPolarHBondContact O-CB 3.38Å; T710-Q714 WeakPolarHBondContact O-CG 3.32Å; T710-Q714 PolarHBondContact O-N 3.32Å; Q714-A718 WeakPolarHBondContact O-CB 3.18Å; Q714-A718 PolarHBondContact O-N 3.25Å; Q714-W750 HydrophobicContact CB-CE3 4.42Å; Q714-W750 HydrophobicContact CB-CH2 3.92Å; Q714-W750 HydrophobicContact CB-CZ3 3.56Å |
| 715 | C | 93.3 | Very high | 86.9 | Confident | 6 Ų | 6 | 13.4 Ų | 13.4 | 4% | 0.041 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66.5 | -39.8 | 174.2 | -178.7 | 0 | 0 | 0 | 0 | 112.3 | N711 L712 V713 A718 V719 W750 T772 | N711-C715 VanDerWaalsContact O-CB 3.22Å; N711-C715 WeakPolarHBondContact O-CB 3.36Å; N711-C715 PolarHBondContact O-N 3.05Å; N711-C715 VanDerWaalsContact O-N 3.14Å; L712-C715 WeakPolarHBondContact O-CB 3.18Å; L712-C715 PolarHBondContact O-N 2.98Å; L712-C715 VanDerWaalsContact O-N 3.15Å; V713-C715 VanDerWaalsContact C-N 3.28Å; V713-C715 PolarHBondContact O-N 3.24Å; C715-A718 PolarHBondContact O-N 3.08Å; C715-V719 WeakPolarHBondContact O-CB 3.49Å; C715-V719 VanDerWaalsContact O-CG2 3.31Å; C715-V719 WeakPolarHBondContact O-CG2 3.25Å; C715-V719 PolarHBondContact O-N 3.3Å; C715-W750 HydrophobicContact CB-CB 3.85Å; C715-W750 HydrophobicContact CB-CD2 3.96Å; C715-W750 HydrophobicContact CB-CE3 4.11Å; C715-W750 HydrophobicContact CB-CG 3.84Å; C715-W750 WeakPolarHBondContact SG-CB 3.25Å; C715-T772 HydrophobicContact CB-CG2 4.16Å |
| 716 | M | 89.9 | Confident | 87.9 | Confident | 35 Ų | 35 | 13 Ų | 13 | 17% | 0.172 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.4 | -47.7 | 175.3 | -64 | -169.7 | -60 | 0 | 0 | 111.5 | A667 L712 V713 A718 V719 V720 | A667-M716 HydrophobicContact CB-CE 3.62Å; A667-M716 HydrophobicContact CB-SD 3.81Å; A667-M716 WeakPolarHBondContact O-CE 3.39Å; L712-M716 WeakPolarHBondContact O-CG 3.3Å; L712-M716 PolarHBondContact O-N 3.26Å; V713-M716 HydrophobicContact CB-CE 4.41Å; V713-M716 HydrophobicContact CG2-CE 4.03Å; V713-M716 PolarHBondContact O-N 2.81Å; V713-M716 VanDerWaalsContact O-N 3.15Å; M716-A718 VanDerWaalsContact C-N 3.29Å; M716-A718 PolarHBondContact O-N 3.1Å; M716-V719 PolarHBondContact O-N 3.2Å; M716-V720 PolarHBondContact O-N 2.94Å; M716-V720 VanDerWaalsContact O-N 3.14Å |
| 717 | F | 93.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.8 | -40.1 | 178.1 | -59.4 | -9 | 0 | 0 | 0 | 111.4 | V618 L670 L671 I674 F678 F699 V701 V713 M721 | V618-F717 HydrophobicContact CG1-CZ 4.38Å; V618-F717 HydrophobicContact CG2-CE2 4.15Å; V618-F717 HydrophobicContact CG2-CZ 4.2Å; L670-F717 HydrophobicContact CD2-CE1 4.36Å; L670-F717 HydrophobicContact CD2-CZ 4.23Å; L670-F717 HydrophobicContact CG-CE1 4.49Å; L671-F717 HydrophobicContact CD1-CD1 4.1Å; I674-F717 HydrophobicContact CD1-CD1 4.03Å; I674-F717 HydrophobicContact CD1-CE1 3.37Å; I674-F717 HydrophobicContact CD1-CZ 3.64Å; F678-F717 HydrophobicContact CE1-CB 4.08Å; F678-F717 HydrophobicContact CZ-CB 3.8Å; F678-F717 AromaticContact CZ-CD1 3.85Å; F678-F717 HydrophobicContact CZ-CD1 3.85Å; F678-F717 AromaticContact CZ-CG 3.92Å; F678-F717 HydrophobicContact CZ-CG 3.92Å; F699-F717 HydrophobicContact CB-CD2 4.46Å; F699-F717 AromaticContact CD1-CD2 3.68Å; F699-F717 HydrophobicContact CD1-CD2 3.68Å; F699-F717 AromaticContact CD1-CE2 3.49Å; F699-F717 HydrophobicContact CD1-CE2 3.49Å; F699-F717 VanDerWaalsContact CD1-CE2 3.49Å; F699-F717 HydrophobicContact CD1-CZ 4.37Å; F699-F717 HydrophobicContact CD2-CD2 4.43Å; F699-F717 AromaticContact CE1-CD2 3.88Å; F699-F717 HydrophobicContact CE1-CD2 3.88Å; F699-F717 AromaticContact CE1-CE2 3.74Å; F699-F717 HydrophobicContact CE1-CE2 3.74Å; F699-F717 HydrophobicContact CE1-CG 4.49Å; F699-F717 HydrophobicContact CE1-CZ 4.26Å; F699-F717 AromaticContact CG-CD2 3.97Å; F699-F717 HydrophobicContact CG-CD2 3.97Å; F699-F717 HydrophobicContact CG-CE2 4.18Å; F699-F717 HydrophobicContact CZ-CD2 4.33Å; V701-F717 HydrophobicContact CG2-CE2 4.08Å; V713-F717 HydrophobicContact CG1-CD1 4.4Å; V713-F717 HydrophobicContact CG1-CD2 4.3Å; V713-F717 HydrophobicContact CG1-CE1 3.71Å; V713-F717 HydrophobicContact CG1-CE2 3.61Å; V713-F717 HydrophobicContact CG1-CZ 3.28Å; V713-F717 WeakPolarHBondContact O-CD1 3.43Å; V713-F717 WeakPolarHBondContact O-CG 3.43Å; V713-F717 PolarHBondContact O-N 3.23Å; V713-F717 VanDerWaalsContact O-N 3.09Å; F717-M721 WeakPolarHBondContact O-CB 3.5Å; F717-M721 PolarHBondContact O-N 3.3Å |
| 718 | A | 93.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.7 | -37.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q551 Q714 C715 M716 M721 I722 W750 | Q551-A718 PolarHBondContact NE2-O 3.03Å; Q714-A718 WeakPolarHBondContact O-CB 3.18Å; Q714-A718 PolarHBondContact O-N 3.25Å; C715-A718 PolarHBondContact O-N 3.08Å; M716-A718 VanDerWaalsContact C-N 3.29Å; M716-A718 PolarHBondContact O-N 3.1Å; A718-M721 PolarHBondContact O-N 2.8Å; A718-I722 WeakPolarHBondContact O-CG1 3.41Å; A718-I722 PolarHBondContact O-N 2.9Å; A718-W750 HydrophobicContact CB-CD2 4.48Å; A718-W750 VanDerWaalsContact CB-CE2 3.46Å; A718-W750 HydrophobicContact CB-CH2 4.26Å; A718-W750 HydrophobicContact CB-CZ2 3.35Å |
| 719 | V | 92.1 | Very high | 90.7 | Very high | 26 Ų | 26 | 21.4 Ų | 21.4 | 16% | 0.158 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69.9 | -44.1 | 177.5 | 163 | 0 | 0 | 0 | 0 | 111.5 | C715 M716 M721 I722 T723 L738 L743 V746 | C715-V719 WeakPolarHBondContact O-CB 3.49Å; C715-V719 VanDerWaalsContact O-CG2 3.31Å; C715-V719 WeakPolarHBondContact O-CG2 3.25Å; C715-V719 PolarHBondContact O-N 3.3Å; M716-V719 PolarHBondContact O-N 3.2Å; V719-M721 VanDerWaalsContact C-N 3.3Å; V719-M721 PolarHBondContact O-N 2.71Å; V719-I722 PolarHBondContact O-N 3.22Å; V719-T723 PolarHBondContact O-N 2.88Å; V719-T723 PolarHBondContact O-OG1 3.27Å; V719-L738 HydrophobicContact CG1-CD1 3.97Å; V719-L743 HydrophobicContact CB-CD1 4.41Å; V719-L743 HydrophobicContact CG1-CD1 3.58Å; V719-L743 HydrophobicContact CG2-CD1 3.83Å; V719-V746 HydrophobicContact CG2-CG1 4.23Å |
| 720 | V | 90.7 | Very high | 90.8 | Very high | 35 Ų | 35 | 22.1 Ų | 22.1 | 21% | 0.212 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.4 | -41.7 | 172.2 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | L671 F678 M716 T723 T724 | L671-V720 HydrophobicContact CD1-CG2 3.8Å; L671-V720 HydrophobicContact CD2-CG2 3.7Å; L671-V720 HydrophobicContact CG-CG2 4.16Å; F678-V720 HydrophobicContact CD1-CG1 4.26Å; F678-V720 HydrophobicContact CD2-CG1 4.32Å; F678-V720 HydrophobicContact CE1-CG1 4.38Å; F678-V720 HydrophobicContact CE2-CG1 4.41Å; F678-V720 HydrophobicContact CG-CG1 4.24Å; F678-V720 HydrophobicContact CZ-CG1 4.47Å; M716-V720 PolarHBondContact O-N 2.94Å; M716-V720 VanDerWaalsContact O-N 3.14Å; V720-T723 WeakPolarHBondContact O-CB 3.36Å; V720-T723 PolarHBondContact O-N 2.95Å; V720-T724 PolarHBondContact O-N 2.6Å; V720-T724 PolarHBondContact O-OG1 3Å |
| 721 | M | 93.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 22.6 Ų | 22.6 | 2% | 0.015 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.4 | -45 | 179 | -166.7 | 58.6 | 83.6 | 0 | 0 | 112.4 | F566 F678 F681 K682 Y683 F717 A718 V719 T723 T724 Q725 | F566-M721 HydrophobicContact CB-CG 3.91Å; F566-M721 HydrophobicContact CD1-CB 3.74Å; F566-M721 HydrophobicContact CD1-CG 3.72Å; F566-M721 HydrophobicContact CD2-CE 3.77Å; F566-M721 HydrophobicContact CD2-CG 4.05Å; F566-M721 HydrophobicContact CE1-CB 3.87Å; F566-M721 HydrophobicContact CE1-CG 4.17Å; F566-M721 HydrophobicContact CE2-CE 3.59Å; F566-M721 HydrophobicContact CE2-CG 4.48Å; F566-M721 HydrophobicContact CG-CB 4.21Å; F566-M721 HydrophobicContact CG-CE 4.35Å; F566-M721 HydrophobicContact CG-CG 3.65Å; F566-M721 HydrophobicContact CZ-CB 4.45Å; F566-M721 HydrophobicContact CZ-CE 4.02Å; F678-M721 HydrophobicContact CD1-CE 3.99Å; F681-M721 HydrophobicContact CB-CE 4.47Å; K682-M721 WeakPolarHBondContact O-CE 3.44Å; Y683-M721 HydrophobicContact CD1-CE 4.44Å; Y683-M721 HydrophobicContact CD1-SD 3.5Å; Y683-M721 VanDerWaalsContact CD1-SD 3.5Å; Y683-M721 HydrophobicContact CE1-SD 4.12Å; Y683-M721 HydrophobicContact CG-SD 4.46Å; F717-M721 WeakPolarHBondContact O-CB 3.5Å; F717-M721 PolarHBondContact O-N 3.3Å; A718-M721 PolarHBondContact O-N 2.8Å; V719-M721 VanDerWaalsContact C-N 3.3Å; V719-M721 PolarHBondContact O-N 2.71Å; M721-T723 VanDerWaalsContact C-N 3.31Å; M721-T723 PolarHBondContact O-N 2.8Å; M721-T724 WeakPolarHBondContact O-CB 3.45Å; M721-T724 PolarHBondContact O-N 2.99Å; M721-T724 VanDerWaalsContact O-N 3.16Å; M721-Q725 HydrophobicContact CG-CG 4.24Å; M721-Q725 WeakPolarHBondContact O-CB 3.4Å; M721-Q725 WeakPolarHBondContact O-CG 3.44Å; M721-Q725 PolarHBondContact O-N 2.71Å; M721-Q725 HydrophobicContact SD-CG 4.44Å |
| 722 | I | 92.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.7 | -38.9 | 175.1 | -67.7 | 160.3 | 0 | 0 | 0 | 111.3 | V517 Q551 A718 V719 T724 Q725 L726 L738 F742 V746 | V517-I722 HydrophobicContact CG1-CD1 4.44Å; Q551-I722 HydrophobicContact CG-CD1 4.26Å; Q551-I722 HydrophobicContact CG-CG1 4.49Å; Q551-I722 VanDerWaalsContact NE2-CG1 3.34Å; Q551-I722 VanDerWaalsContact OE1-CD1 3.3Å; A718-I722 WeakPolarHBondContact O-CG1 3.41Å; A718-I722 PolarHBondContact O-N 2.9Å; V719-I722 PolarHBondContact O-N 3.22Å; I722-T724 VanDerWaalsContact C-N 3.29Å; I722-T724 PolarHBondContact O-N 2.76Å; I722-Q725 PolarHBondContact O-N 3.43Å; I722-L726 HydrophobicContact CG2-CD1 3.63Å; I722-L726 HydrophobicContact CG2-CG 4.02Å; I722-L726 WeakPolarHBondContact O-CB 3.09Å; I722-L726 WeakPolarHBondContact O-CG 3.42Å; I722-L726 PolarHBondContact O-N 2.71Å; I722-L738 HydrophobicContact CG2-CD2 4.25Å; I722-F742 HydrophobicContact CG2-CE1 3.67Å; I722-F742 HydrophobicContact CG2-CZ 3.96Å; I722-V746 HydrophobicContact CD1-CG1 3.9Å; I722-V746 HydrophobicContact CD1-CG2 4.26Å |
| 723 | T | 91.4 | Very high | 90.2 | Very high | 29 Ų | 29 | 22.7 Ų | 22.7 | 18% | 0.178 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.9 | -46.5 | 174.8 | -50.5 | 0 | 0 | 0 | 0 | 110.5 | V719 V720 M721 K727 L732 L738 | V719-T723 PolarHBondContact O-N 2.88Å; V719-T723 PolarHBondContact O-OG1 3.27Å; V720-T723 WeakPolarHBondContact O-CB 3.36Å; V720-T723 PolarHBondContact O-N 2.95Å; M721-T723 VanDerWaalsContact C-N 3.31Å; M721-T723 PolarHBondContact O-N 2.8Å; T723-K727 HydrophobicContact CG2-CD 4.42Å; T723-K727 WeakPolarHBondContact O-CB 3.33Å; T723-K727 VanDerWaalsContact O-CG 3.27Å; T723-K727 WeakPolarHBondContact O-CG 3.43Å; T723-K727 PolarHBondContact O-N 3.2Å; T723-K727 VanDerWaalsContact O-N 3.13Å; T723-L732 HydrophobicContact CG2-CD2 4.08Å; T723-L738 HydrophobicContact CG2-CG 4.35Å; T723-L738 WeakPolarHBondContact OG1-CD1 3.37Å; T723-L738 VanDerWaalsContact OG1-CG 3.32Å; T723-L738 WeakPolarHBondContact OG1-CG 3.35Å |
| 724 | T | 90.4 | Very high | 89.9 | Confident | 48 Ų | 48 | 27.8 Ų | 27.8 | 29% | 0.294 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -66.3 | -41.6 | 177.8 | -54.7 | 0 | 0 | 0 | 0 | 112.1 | Y683 V720 M721 I722 K727 K728 | Y683-T724 HydrophobicContact CE1-CG2 4.45Å; V720-T724 PolarHBondContact O-N 2.6Å; V720-T724 PolarHBondContact O-OG1 3Å; M721-T724 WeakPolarHBondContact O-CB 3.45Å; M721-T724 PolarHBondContact O-N 2.99Å; M721-T724 VanDerWaalsContact O-N 3.16Å; I722-T724 VanDerWaalsContact C-N 3.29Å; I722-T724 PolarHBondContact O-N 2.76Å; T724-K727 PolarHBondContact O-N 2.78Å; T724-K728 WeakPolarHBondContact O-CG 3.38Å; T724-K728 PolarHBondContact O-N 2.92Å |
| 725 | Q | 92.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.9 | -49.3 | -179.6 | -70.7 | 168.7 | -27.2 | 0 | 0 | 111.3 | L553 V564 Y683 M721 I722 K727 K728 I729 | L553-Q725 HydrophobicContact CD2-CB 3.89Å; V564-Q725 HydrophobicContact CG1-CB 4.31Å; V564-Q725 HydrophobicContact CG1-CG 3.76Å; Y683-Q725 HydrophobicContact CD1-CG 3.82Å; Y683-Q725 HydrophobicContact CD2-CG 4.41Å; Y683-Q725 HydrophobicContact CE1-CG 3.62Å; Y683-Q725 HydrophobicContact CE2-CG 4.27Å; Y683-Q725 HydrophobicContact CG-CG 4.17Å; M721-Q725 HydrophobicContact CG-CG 4.24Å; M721-Q725 WeakPolarHBondContact O-CB 3.4Å; M721-Q725 WeakPolarHBondContact O-CG 3.44Å; M721-Q725 PolarHBondContact O-N 2.71Å; M721-Q725 HydrophobicContact SD-CG 4.44Å; I722-Q725 PolarHBondContact O-N 3.43Å; Q725-K727 VanDerWaalsContact C-N 3.28Å; Q725-K727 PolarHBondContact O-N 2.91Å; Q725-K728 PolarHBondContact O-N 2.64Å; Q725-K728 VanDerWaalsContact O-N 3.13Å; Q725-I729 VanDerWaalsContact O-CG1 3.31Å; Q725-I729 WeakPolarHBondContact O-CG1 3.28Å; Q725-I729 PolarHBondContact O-N 3.35Å |
| 726 | L | 90.8 | Very high | 88.8 | Confident | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.2 | -34.4 | 176.5 | -71.6 | 171.5 | 0 | 0 | 0 | 112.5 | L309 L553 I722 G730 L731 L732 L738 F742 | L309-L726 HydrophobicContact CD1-CD2 4.49Å; L553-L726 HydrophobicContact CD1-CD2 4.32Å; L553-L726 HydrophobicContact CD2-CD2 3.88Å; L553-L726 HydrophobicContact CD2-CG 4.05Å; I722-L726 HydrophobicContact CG2-CD1 3.63Å; I722-L726 HydrophobicContact CG2-CG 4.02Å; I722-L726 WeakPolarHBondContact O-CB 3.09Å; I722-L726 WeakPolarHBondContact O-CG 3.42Å; I722-L726 PolarHBondContact O-N 2.71Å; L726-G730 PolarHBondContact O-N 3.13Å; L726-G730 VanDerWaalsContact O-N 3.13Å; L726-L731 HydrophobicContact CD2-CB 4.15Å; L726-L731 HydrophobicContact CD2-CD1 3.88Å; L726-L731 HydrophobicContact CD2-CG 4.39Å; L726-L731 PolarHBondContact O-N 2.86Å; L726-L732 HydrophobicContact CB-CB 3.89Å; L726-L732 HydrophobicContact CB-CD2 4.42Å; L726-L732 PolarHBondContact O-N 3.49Å; L726-L738 HydrophobicContact CD1-CD2 3.66Å; L726-F742 HydrophobicContact CD1-CE1 4.2Å; L726-F742 HydrophobicContact CD1-CE2 4.5Å; L726-F742 HydrophobicContact CD1-CZ 3.99Å |
| 727 | K | 89.8 | Confident | 88.5 | Confident | 67 Ų | 67 | 41.8 Ų | 41.8 | 29% | 0.291 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.5 | -40.1 | 172.5 | -74.9 | -179.6 | -176.4 | -168.4 | 0 | 113.1 | T723 T724 Q725 G730 L732 G733 P734 E736 | T723-K727 HydrophobicContact CG2-CD 4.42Å; T723-K727 WeakPolarHBondContact O-CB 3.33Å; T723-K727 VanDerWaalsContact O-CG 3.27Å; T723-K727 WeakPolarHBondContact O-CG 3.43Å; T723-K727 PolarHBondContact O-N 3.2Å; T723-K727 VanDerWaalsContact O-N 3.13Å; T724-K727 PolarHBondContact O-N 2.78Å; Q725-K727 VanDerWaalsContact C-N 3.28Å; Q725-K727 PolarHBondContact O-N 2.91Å; K727-G730 PolarHBondContact O-N 3.35Å; K727-L732 WeakPolarHBondContact CA-O 3.49Å; K727-L732 HydrophobicContact CG-CB 4.04Å; K727-L732 HydrophobicContact CG-CD2 4.08Å; K727-L732 HydrophobicContact CG-CG 4.12Å; K727-G733 VanDerWaalsContact CE-O 3.23Å; K727-G733 WeakPolarHBondContact CE-O 3.36Å; K727-P734 WeakPolarHBondContact CE-O 3.27Å; K727-P734 PolarHBondContact NZ-O 2.93Å; K727-E736 WeakPolarHBondContact CE-O 3.41Å; K727-E736 PolarHBondContact NZ-O 3.26Å |
| 728 | K | 88.9 | Confident | 88.1 | Confident | 122 Ų | 122 | 42.7 Ų | 42.7 | 53% | 0.53 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -77.5 | -24.8 | 177.8 | -63.9 | -153.3 | -152.2 | 171.4 | 0 | 114.5 | Y683 W685 T724 Q725 G730 | Y683-K728 WeakPolarHBondContact OH-CB 3.42Å; Y683-K728 VanDerWaalsContact OH-CD 3.29Å; Y683-K728 WeakPolarHBondContact OH-CD 3.26Å; W685-K728 HydrophobicContact CH2-CB 4.35Å; W685-K728 HydrophobicContact CZ3-CB 4.32Å; T724-K728 WeakPolarHBondContact O-CG 3.38Å; T724-K728 PolarHBondContact O-N 2.92Å; Q725-K728 PolarHBondContact O-N 2.64Å; Q725-K728 VanDerWaalsContact O-N 3.13Å; K728-G730 VanDerWaalsContact C-N 3.29Å |
| 729 | I | 88 | Confident | 87.8 | Confident | 28 Ų | 28 | 44 Ų | 44 | 14% | 0.144 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -74.6 | -24.9 | 169.8 | -58 | 160.5 | 0 | 0 | 0 | 110.5 | L553 T555 V564 W685 Q725 L731 | L553-I729 HydrophobicContact CD2-CD1 3.79Å; T555-I729 HydrophobicContact CG2-CD1 4.2Å; T555-I729 HydrophobicContact CG2-CG2 4.47Å; V564-I729 HydrophobicContact CG2-CD1 3.85Å; V564-I729 HydrophobicContact CG2-CG1 4.34Å; W685-I729 HydrophobicContact CZ2-CG1 4.12Å; Q725-I729 VanDerWaalsContact O-CG1 3.31Å; Q725-I729 WeakPolarHBondContact O-CG1 3.28Å; Q725-I729 PolarHBondContact O-N 3.35Å; I729-L731 HydrophobicContact CB-CG 4.17Å; I729-L731 HydrophobicContact CG2-CD1 4.13Å; I729-L731 HydrophobicContact CG2-CD2 3.98Å; I729-L731 HydrophobicContact CG2-CG 3.75Å |
| 730 | G | 85.9 | Confident | 87.5 | Confident | 40 Ų | 40 | 47.3 Ų | 47.3 | 41% | 0.412 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | 3.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L726 K727 K728 L732 | L726-G730 PolarHBondContact O-N 3.13Å; L726-G730 VanDerWaalsContact O-N 3.13Å; K727-G730 PolarHBondContact O-N 3.35Å; K728-G730 VanDerWaalsContact C-N 3.29Å; G730-L732 VanDerWaalsContact C-N 3.32Å |
| 731 | L | 85.2 | Confident | 87.3 | Confident | 10 Ų | 10 | 49.1 Ų | 49.1 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -74.8 | -28.1 | -179.1 | -48.8 | -168.8 | 0 | 0 | 0 | 111.8 | L309 R311 E513 V515 T555 L726 I729 | L309-L731 HydrophobicContact CD1-CB 3.96Å; L309-L731 HydrophobicContact CD1-CD1 3.93Å; R311-L731 PolarHBondContact NH2-O 3.22Å; E513-L731 WeakPolarHBondContact OE2-CD2 3.44Å; V515-L731 HydrophobicContact CG2-CD1 3.72Å; T555-L731 HydrophobicContact CG2-CD1 3.94Å; L726-L731 HydrophobicContact CD2-CB 4.15Å; L726-L731 HydrophobicContact CD2-CD1 3.88Å; L726-L731 HydrophobicContact CD2-CG 4.39Å; L726-L731 PolarHBondContact O-N 2.86Å; I729-L731 HydrophobicContact CB-CG 4.17Å; I729-L731 HydrophobicContact CG2-CD1 4.13Å; I729-L731 HydrophobicContact CG2-CD2 3.98Å; I729-L731 HydrophobicContact CG2-CG 3.75Å |
| 732 | L | 86.3 | Confident | 87.2 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -116.8 | 130.9 | 176.6 | -167.5 | 66.3 | 0 | 0 | 0 | 109 | L316 T723 L726 K727 G730 E736 L738 | L316-L732 HydrophobicContact CD2-CD1 3.81Å; T723-L732 HydrophobicContact CG2-CD2 4.08Å; L726-L732 HydrophobicContact CB-CB 3.89Å; L726-L732 HydrophobicContact CB-CD2 4.42Å; L726-L732 PolarHBondContact O-N 3.49Å; K727-L732 WeakPolarHBondContact CA-O 3.49Å; K727-L732 HydrophobicContact CG-CB 4.04Å; K727-L732 HydrophobicContact CG-CD2 4.08Å; K727-L732 HydrophobicContact CG-CG 4.12Å; G730-L732 VanDerWaalsContact C-N 3.32Å; L732-E736 HydrophobicContact CD1-CB 3.49Å; L732-E736 VanDerWaalsContact CD1-CB 3.49Å; L732-E736 HydrophobicContact CG-CB 3.81Å; L732-L738 HydrophobicContact CD2-CD2 4.09Å |
| 733 | G | 82.6 | Confident | 87 | Confident | 17 Ų | 17 | 51.1 Ų | 51.1 | 18% | 0.175 | 29% | 0.288 | C | S | . | . | trans | -66.5 | 161.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K727 E735 E736 | K727-G733 VanDerWaalsContact CE-O 3.23Å; K727-G733 WeakPolarHBondContact CE-O 3.36Å; G733-E735 VanDerWaalsContact C-N 3.29Å; G733-E735 PolarHBondContact O-N 3.08Å; G733-E736 PolarHBondContact N-OE2 3.23Å; G733-E736 PolarHBondContact O-N 3.42Å | ||
| 734 | P | 83.8 | Confident | 86.9 | Confident | 106 Ų | 106 | 56.3 Ų | 56.3 | 69% | 0.688 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -38.9 | -173.5 | 22.1 | -33.2 | 0 | 0 | 0 | 113.1 | K727 | K727-P734 WeakPolarHBondContact CE-O 3.27Å; K727-P734 PolarHBondContact NZ-O 2.93Å |
| 735 | E | 82.4 | Confident | 86.9 | Confident | 172 Ų | 172 | 55.1 Ų | 55.1 | 80% | 0.804 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -0.9 | 176.5 | -57.5 | -48.9 | 131.3 | 0 | 0 | 113.9 | G733 | G733-E735 VanDerWaalsContact C-N 3.29Å; G733-E735 PolarHBondContact O-N 3.08Å |
| 736 | E | 81.6 | Confident | 86.9 | Confident | 55 Ų | 55 | 55.2 Ų | 55.2 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 139.9 | -178.2 | -65.5 | -176.8 | 164 | 0 | 0 | 111.4 | R311 K727 L732 G733 | R311-E736 IonicContact CZ-OE1 3.62Å; R311-E736 IonicContact CZ-OE2 3.55Å; R311-E736 IonicContact NH1-OE1 3.54Å; R311-E736 PolarHBondContact NH1-OE1 3.37Å; R311-E736 IonicContact NH1-OE2 2.61Å; R311-E736 PolarHBondContact NH1-OE2 3.15Å; R311-E736 IonicContact NH2-OE1 3.58Å; R311-E736 IonicContact NH2-OE2 2.74Å; R311-E736 PolarHBondContact NH2-OE2 2.97Å; K727-E736 WeakPolarHBondContact CE-O 3.41Å; K727-E736 PolarHBondContact NZ-O 3.26Å; L732-E736 HydrophobicContact CD1-CB 3.49Å; L732-E736 VanDerWaalsContact CD1-CB 3.49Å; L732-E736 HydrophobicContact CG-CB 3.81Å; G733-E736 PolarHBondContact N-OE2 3.23Å; G733-E736 PolarHBondContact O-N 3.42Å |
| 737 | C | 83.1 | Confident | 86.9 | Confident | 108 Ų | 108 | 57.2 Ų | 57.2 | 73% | 0.73 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -92.9 | 154.3 | 173.6 | -72.2 | 0 | 0 | 0 | 0 | 110.8 | P739 | C737-P739 WeakPolarHBondContact O-CD 3.31Š|
| 738 | L | 85.6 | Confident | 86.9 | Confident | 19 Ų | 19 | 58.8 Ų | 58.8 | 10% | 0.099 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -54.3 | 126.3 | 173.4 | -73 | 176.6 | 0 | 0 | 0 | 111 | V719 I722 T723 L726 L732 T740 F742 L743 | V719-L738 HydrophobicContact CG1-CD1 3.97Å; I722-L738 HydrophobicContact CG2-CD2 4.25Å; T723-L738 HydrophobicContact CG2-CG 4.35Å; T723-L738 WeakPolarHBondContact OG1-CD1 3.37Å; T723-L738 VanDerWaalsContact OG1-CG 3.32Å; T723-L738 WeakPolarHBondContact OG1-CG 3.35Å; L726-L738 HydrophobicContact CD1-CD2 3.66Å; L732-L738 HydrophobicContact CD2-CD2 4.09Å; L738-T740 PolarHBondContact O-N 3.4Å; L738-F742 HydrophobicContact CD2-CD1 4.03Å; L738-F742 HydrophobicContact CD2-CE1 4.13Å; L738-L743 HydrophobicContact CB-CB 4.43Å; L738-L743 HydrophobicContact CD1-CD1 4.45Å |
| 739 | P | 87.3 | Confident | 87.2 | Confident | 28 Ų | 28 | 53 Ų | 53 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 139.3 | 177.5 | -29.8 | 38.3 | 0 | 0 | 0 | 112.6 | L316 V318 C737 E741 F742 L743 | L316-P739 HydrophobicContact CD2-CG 3.99Å; L316-P739 HydrophobicContact CG-CG 4.33Å; V318-P739 HydrophobicContact CB-CB 4.37Å; V318-P739 HydrophobicContact CG2-CB 3.53Å; V318-P739 HydrophobicContact CG2-CG 3.56Å; C737-P739 WeakPolarHBondContact O-CD 3.31Å; P739-E741 VanDerWaalsContact C-N 3.26Å; P739-E741 PolarHBondContact O-N 3.05Å; P739-E741 VanDerWaalsContact O-N 3.11Å; P739-F742 HydrophobicContact CB-CB 4.45Å; P739-F742 WeakPolarHBondContact O-CA 3.48Å; P739-F742 WeakPolarHBondContact O-CB 3.49Å; P739-F742 PolarHBondContact O-N 3.01Å; P739-L743 PolarHBondContact O-N 2.93Å |
| 740 | T | 86.1 | Confident | 87.4 | Confident | 96 Ų | 96 | 51.7 Ų | 51.7 | 59% | 0.589 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -58.1 | -31.8 | -169 | -49.1 | 0 | 0 | 0 | 0 | 114.2 | L738 R744 | L738-T740 PolarHBondContact O-N 3.4Å; T740-R744 VanDerWaalsContact O-CB 3.26Å; T740-R744 WeakPolarHBondContact O-CB 3.37Å; T740-R744 PolarHBondContact O-N 2.95Å; T740-R744 VanDerWaalsContact O-N 3.11Å |
| 741 | E | 86.3 | Confident | 87.6 | Confident | 72 Ų | 72 | 49.9 Ų | 49.9 | 34% | 0.336 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -73.7 | -42.3 | 175 | -171.9 | 157.9 | 166 | 0 | 0 | 111.9 | V320 K322 P739 R744 T745 | V320-E741 HydrophobicContact CG2-CG 3.76Å; K322-E741 IonicContact NZ-OE1 3.97Å; K322-E741 PolarHBondContact NZ-OE1 2.72Å; P739-E741 VanDerWaalsContact C-N 3.26Å; P739-E741 PolarHBondContact O-N 3.05Å; P739-E741 VanDerWaalsContact O-N 3.11Å; E741-R744 PolarHBondContact O-N 2.86Å; E741-T745 PolarHBondContact O-N 2.92Å; E741-T745 PolarHBondContact O-OG1 3.41Å; E741-T745 VanDerWaalsContact O-OG1 3.12Å |
| 742 | F | 89.7 | Confident | 87.8 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.9 | -52.3 | 173.5 | -170.3 | -80.8 | 0 | 0 | 0 | 111.1 | F307 L309 V318 V517 I722 L726 L738 P739 R744 T745 V746 | F307-F742 HydrophobicContact CB-CD2 4.22Å; F307-F742 HydrophobicContact CB-CE2 4.26Å; F307-F742 AromaticContact CD1-CD2 3.49Å; F307-F742 HydrophobicContact CD1-CD2 3.49Å; F307-F742 VanDerWaalsContact CD1-CD2 3.49Å; F307-F742 HydrophobicContact CD1-CE2 4.03Å; F307-F742 HydrophobicContact CD1-CG 4.28Å; F307-F742 HydrophobicContact CD2-CD2 4.02Å; F307-F742 AromaticContact CD2-CE2 3.66Å; F307-F742 HydrophobicContact CD2-CE2 3.66Å; F307-F742 HydrophobicContact CE1-CB 4.36Å; F307-F742 AromaticContact CE1-CD2 3.7Å; F307-F742 HydrophobicContact CE1-CD2 3.7Å; F307-F742 HydrophobicContact CE1-CE2 4.24Å; F307-F742 HydrophobicContact CE1-CG 4.13Å; F307-F742 HydrophobicContact CE2-CD2 4.22Å; F307-F742 AromaticContact CE2-CE2 3.91Å; F307-F742 HydrophobicContact CE2-CE2 3.91Å; F307-F742 HydrophobicContact CE2-CZ 4.43Å; F307-F742 AromaticContact CG-CD2 3.65Å; F307-F742 HydrophobicContact CG-CD2 3.65Å; F307-F742 AromaticContact CG-CE2 3.72Å; F307-F742 HydrophobicContact CG-CE2 3.72Å; F307-F742 HydrophobicContact CZ-CD2 4.06Å; F307-F742 HydrophobicContact CZ-CE2 4.17Å; F307-F742 HydrophobicContact CZ-CG 4.49Å; L309-F742 HydrophobicContact CD2-CD2 4.5Å; V318-F742 HydrophobicContact CG1-CB 4.2Å; V318-F742 HydrophobicContact CG1-CD2 4.24Å; V318-F742 HydrophobicContact CG2-CB 4.49Å; V517-F742 HydrophobicContact CG2-CE2 4.12Å; V517-F742 HydrophobicContact CG2-CZ 3.69Å; I722-F742 HydrophobicContact CG2-CE1 3.67Å; I722-F742 HydrophobicContact CG2-CZ 3.96Å; L726-F742 HydrophobicContact CD1-CE1 4.2Å; L726-F742 HydrophobicContact CD1-CE2 4.5Å; L726-F742 HydrophobicContact CD1-CZ 3.99Å; L738-F742 HydrophobicContact CD2-CD1 4.03Å; L738-F742 HydrophobicContact CD2-CE1 4.13Å; P739-F742 HydrophobicContact CB-CB 4.45Å; P739-F742 WeakPolarHBondContact O-CA 3.48Å; P739-F742 WeakPolarHBondContact O-CB 3.49Å; P739-F742 PolarHBondContact O-N 3.01Å; F742-R744 PolarHBondContact O-N 3.37Å; F742-T745 PolarHBondContact O-N 2.95Å; F742-V746 HydrophobicContact CD1-CG2 3.98Å; F742-V746 HydrophobicContact CE1-CG2 3.67Å; F742-V746 HydrophobicContact CZ-CG2 4.3Å; F742-V746 WeakPolarHBondContact O-CG2 3.26Å; F742-V746 PolarHBondContact O-N 2.81Å |
| 743 | L | 89.9 | Confident | 88.1 | Confident | 45 Ų | 45 | 50.1 Ų | 50.1 | 24% | 0.236 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.5 | -46.3 | 178.8 | 176.8 | 60.4 | 0 | 0 | 0 | 112 | V719 L738 P739 T745 V746 Q747 | V719-L743 HydrophobicContact CB-CD1 4.41Å; V719-L743 HydrophobicContact CG1-CD1 3.58Å; V719-L743 HydrophobicContact CG2-CD1 3.83Å; L738-L743 HydrophobicContact CB-CB 4.43Å; L738-L743 HydrophobicContact CD1-CD1 4.45Å; P739-L743 PolarHBondContact O-N 2.93Å; L743-T745 PolarHBondContact O-N 3.15Å; L743-V746 PolarHBondContact O-N 3.47Å; L743-Q747 HydrophobicContact CD1-CG 4.26Å; L743-Q747 VanDerWaalsContact O-CB 3.3Å; L743-Q747 WeakPolarHBondContact O-CB 3.44Å; L743-Q747 VanDerWaalsContact O-CG 3.29Å; L743-Q747 WeakPolarHBondContact O-CG 3.4Å; L743-Q747 PolarHBondContact O-N 3.42Å |
| 744 | R | 88.7 | Confident | 88.5 | Confident | 138 Ų | 138 | 49.4 Ų | 49.4 | 52% | 0.521 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 179.9 | -172.3 | -173.2 | -62 | 130.6 | -0.7 | 112.2 | T740 E741 F742 H748 | T740-R744 VanDerWaalsContact O-CB 3.26Å; T740-R744 WeakPolarHBondContact O-CB 3.37Å; T740-R744 PolarHBondContact O-N 2.95Å; T740-R744 VanDerWaalsContact O-N 3.11Å; E741-R744 PolarHBondContact O-N 2.86Å; F742-R744 PolarHBondContact O-N 3.37Å; R744-H748 WeakPolarHBondContact O-CB 3.44Å; R744-H748 PolarHBondContact O-N 3.17Å |
| 745 | T | 91.1 | Very high | 88.7 | Confident | 23 Ų | 23 | 45 Ų | 45 | 14% | 0.141 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.4 | -47.1 | 177 | -61.8 | 0 | 0 | 0 | 0 | 111 | E305 F307 E741 F742 L743 Q747 H748 M749 | E305-T745 HydrophobicContact CB-CG2 4.13Å; E305-T745 HydrophobicContact CG-CG2 3.71Å; F307-T745 HydrophobicContact CE1-CG2 3.83Å; F307-T745 HydrophobicContact CZ-CG2 3.53Å; E741-T745 PolarHBondContact O-N 2.92Å; E741-T745 PolarHBondContact O-OG1 3.41Å; E741-T745 VanDerWaalsContact O-OG1 3.12Å; F742-T745 PolarHBondContact O-N 2.95Å; L743-T745 PolarHBondContact O-N 3.15Å; T745-Q747 VanDerWaalsContact C-N 3.33Å; T745-Q747 PolarHBondContact O-N 2.82Å; T745-H748 WeakPolarHBondContact O-CA 3.28Å; T745-H748 WeakPolarHBondContact O-CB 3.48Å; T745-H748 PolarHBondContact O-N 3.41Å; T745-M749 WeakPolarHBondContact O-CG 3.42Å; T745-M749 PolarHBondContact O-N 3.36Å |
| 746 | V | 92.2 | Very high | 89 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.8 | -44.8 | 174.4 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | F307 V719 I722 F742 L743 H748 M749 W750 | F307-V746 HydrophobicContact CZ-CG2 4.44Å; V719-V746 HydrophobicContact CG2-CG1 4.23Å; I722-V746 HydrophobicContact CD1-CG1 3.9Å; I722-V746 HydrophobicContact CD1-CG2 4.26Å; F742-V746 HydrophobicContact CD1-CG2 3.98Å; F742-V746 HydrophobicContact CE1-CG2 3.67Å; F742-V746 HydrophobicContact CZ-CG2 4.3Å; F742-V746 WeakPolarHBondContact O-CG2 3.26Å; F742-V746 PolarHBondContact O-N 2.81Å; L743-V746 PolarHBondContact O-N 3.47Å; V746-H748 VanDerWaalsContact C-N 3.3Å; V746-H748 PolarHBondContact O-N 2.88Å; V746-M749 PolarHBondContact O-N 2.88Å; V746-W750 PolarHBondContact O-N 3.29Å |
| 747 | Q | 90.7 | Very high | 89.4 | Confident | 48 Ų | 48 | 34.7 Ų | 34.7 | 22% | 0.224 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.4 | -40.3 | 172.6 | -81.6 | 176 | -8.3 | 0 | 0 | 112.6 | L743 T745 W750 A751 T772 | L743-Q747 HydrophobicContact CD1-CG 4.26Å; L743-Q747 VanDerWaalsContact O-CB 3.3Å; L743-Q747 WeakPolarHBondContact O-CB 3.44Å; L743-Q747 VanDerWaalsContact O-CG 3.29Å; L743-Q747 WeakPolarHBondContact O-CG 3.4Å; L743-Q747 PolarHBondContact O-N 3.42Å; T745-Q747 VanDerWaalsContact C-N 3.33Å; T745-Q747 PolarHBondContact O-N 2.82Å; Q747-W750 PolarHBondContact O-N 2.77Å; Q747-A751 WeakPolarHBondContact O-CB 3.42Å; Q747-A751 PolarHBondContact O-N 3.27Å; Q747-T772 WeakPolarHBondContact CB-O 3.44Å |
| 748 | H | 90.4 | Very high | 89.6 | Confident | 99 Ų | 99 | 29.5 Ų | 29.5 | 46% | 0.458 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -68.4 | -39.4 | 176.5 | -165.6 | 91.4 | 0 | 0 | 0 | 113.3 | R744 T745 V746 A751 T752 | R744-H748 WeakPolarHBondContact O-CB 3.44Å; R744-H748 PolarHBondContact O-N 3.17Å; T745-H748 WeakPolarHBondContact O-CA 3.28Å; T745-H748 WeakPolarHBondContact O-CB 3.48Å; T745-H748 PolarHBondContact O-N 3.41Å; V746-H748 VanDerWaalsContact C-N 3.3Å; V746-H748 PolarHBondContact O-N 2.88Å; H748-A751 PolarHBondContact O-N 3Å; H748-T752 WeakPolarHBondContact O-CB 3.49Å; H748-T752 PolarHBondContact O-N 2.81Å; H748-T752 PolarHBondContact O-OG1 3.06Å |
| 749 | M | 93.5 | Very high | 89.5 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.8 | -49.9 | 173.1 | -59.1 | 163.9 | 79.9 | 0 | 0 | 110.1 | E305 V517 I519 T745 V746 A751 T752 N753 | E305-M749 HydrophobicContact CB-CE 4.02Å; E305-M749 HydrophobicContact CB-SD 3.85Å; E305-M749 HydrophobicContact CG-CE 3.92Å; E305-M749 HydrophobicContact CG-CG 3.74Å; E305-M749 HydrophobicContact CG-SD 3.57Å; E305-M749 VanDerWaalsContact CG-SD 3.57Å; V517-M749 HydrophobicContact CB-CE 4.22Å; V517-M749 HydrophobicContact CG1-CE 4.06Å; V517-M749 HydrophobicContact CG1-SD 4.34Å; V517-M749 VanDerWaalsContact O-CE 3.32Å; V517-M749 WeakPolarHBondContact O-CE 3.38Å; I519-M749 HydrophobicContact CD1-CB 3.57Å; I519-M749 HydrophobicContact CD1-CE 4.42Å; I519-M749 HydrophobicContact CG1-CB 4.41Å; I519-M749 HydrophobicContact CG1-CE 4.06Å; T745-M749 WeakPolarHBondContact O-CG 3.42Å; T745-M749 PolarHBondContact O-N 3.36Å; V746-M749 PolarHBondContact O-N 2.88Å; M749-A751 PolarHBondContact O-N 2.95Å; M749-T752 PolarHBondContact O-N 3.23Å; M749-N753 WeakPolarHBondContact O-CB 3.35Å; M749-N753 PolarHBondContact O-N 3.25Å |
| 750 | W | 93.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62 | -38.9 | 178 | -89 | 98.3 | 0 | 0 | 0 | 113.2 | I519 T549 N711 Q714 C715 A718 V746 Q747 T752 N753 G754 T772 | I519-W750 HydrophobicContact CD1-CB 4.46Å; I519-W750 VanDerWaalsContact CD1-CD1 3.4Å; I519-W750 HydrophobicContact CD1-CD2 4.03Å; I519-W750 HydrophobicContact CD1-CG 3.75Å; T549-W750 HydrophobicContact CG2-CH2 3.36Å; T549-W750 HydrophobicContact CG2-CZ2 4.05Å; T549-W750 HydrophobicContact CG2-CZ3 3.79Å; N711-W750 PolarHBondContact ND2-O 2.85Å; Q714-W750 HydrophobicContact CB-CE3 4.42Å; Q714-W750 HydrophobicContact CB-CH2 3.92Å; Q714-W750 HydrophobicContact CB-CZ3 3.56Å; C715-W750 HydrophobicContact CB-CB 3.85Å; C715-W750 HydrophobicContact CB-CD2 3.96Å; C715-W750 HydrophobicContact CB-CE3 4.11Å; C715-W750 HydrophobicContact CB-CG 3.84Å; C715-W750 WeakPolarHBondContact SG-CB 3.25Å; A718-W750 HydrophobicContact CB-CD2 4.48Å; A718-W750 VanDerWaalsContact CB-CE2 3.46Å; A718-W750 HydrophobicContact CB-CH2 4.26Å; A718-W750 HydrophobicContact CB-CZ2 3.35Å; V746-W750 PolarHBondContact O-N 3.29Å; Q747-W750 PolarHBondContact O-N 2.77Å; W750-T752 VanDerWaalsContact C-N 3.34Å; W750-N753 WeakPolarHBondContact O-CB 3.2Å; W750-G754 PolarHBondContact O-N 3.38Å; W750-G754 VanDerWaalsContact O-N 3.07Å; W750-T772 HydrophobicContact CB-CG2 4.32Å |
| 751 | A | 88.9 | Confident | 89 | Confident | 2 Ų | 2 | 26 Ų | 26 | 2% | 0.017 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.4 | -36.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q747 H748 M749 G754 D755 T772 R773 | Q747-A751 WeakPolarHBondContact O-CB 3.42Å; Q747-A751 PolarHBondContact O-N 3.27Å; H748-A751 PolarHBondContact O-N 3Å; M749-A751 PolarHBondContact O-N 2.95Å; A751-G754 PolarHBondContact O-N 3.24Å; A751-D755 PolarHBondContact O-N 2.93Å; A751-T772 HydrophobicContact CB-CG2 3.9Å; A751-R773 HydrophobicContact CB-CB 4.45Å; A751-R773 HydrophobicContact CB-CG 3.23Å |
| 752 | T | 90.6 | Very high | 88.5 | Confident | 19 Ų | 19 | 22.9 Ų | 22.9 | 12% | 0.117 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -77.2 | -32.1 | -180 | -52.1 | 0 | 0 | 0 | 0 | 111.6 | Y301 H748 M749 W750 G754 D755 A756 R773 | Y301-T752 HydrophobicContact CE2-CG2 4.22Å; Y301-T752 VanDerWaalsContact OH-CG2 3.29Å; Y301-T752 WeakPolarHBondContact OH-CG2 3.46Å; H748-T752 WeakPolarHBondContact O-CB 3.49Å; H748-T752 PolarHBondContact O-N 2.81Å; H748-T752 PolarHBondContact O-OG1 3.06Å; M749-T752 PolarHBondContact O-N 3.23Å; W750-T752 VanDerWaalsContact C-N 3.34Å; T752-G754 VanDerWaalsContact C-N 3.33Å; T752-G754 PolarHBondContact O-N 2.89Å; T752-D755 PolarHBondContact O-N 3.3Å; T752-A756 WeakPolarHBondContact O-CB 3.39Å; T752-A756 PolarHBondContact O-N 2.96Å; T752-R773 PolarHBondContact OG1-NH2 2.67Å |
| 753 | N | 93 | Very high | 87.8 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -55.6 | -46.6 | 163.5 | -177.5 | 30 | 0 | 0 | 0 | 111.6 | Y301 I519 S521 M749 W750 D755 A756 I757 | Y301-N753 VanDerWaalsContact CD1-CA 3.45Å; Y301-N753 HydrophobicContact CD1-CB 3.61Å; Y301-N753 HydrophobicContact CE1-CB 3.84Å; I519-N753 HydrophobicContact CG2-CB 4.41Å; S521-N753 WeakPolarHBondContact CB-OD1 3.33Å; S521-N753 VanDerWaalsContact OG-CG 3.22Å; S521-N753 PolarHBondContact OG-ND2 3.39Å; S521-N753 VanDerWaalsContact OG-ND2 3.07Å; S521-N753 PolarHBondContact OG-OD1 3.04Å; M749-N753 WeakPolarHBondContact O-CB 3.35Å; M749-N753 PolarHBondContact O-N 3.25Å; W750-N753 WeakPolarHBondContact O-CB 3.2Å; N753-D755 PolarHBondContact O-N 3.07Å; N753-A756 PolarHBondContact O-N 3.47Å; N753-I757 WeakPolarHBondContact O-CG1 3.45Å; N753-I757 PolarHBondContact O-N 2.85Å |
| 754 | G | 90.1 | Very high | 87 | Confident | 2 Ų | 2 | 22.5 Ų | 22.5 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.5 | -48.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N711 W750 A751 T752 A756 S758 | N711-G754 VanDerWaalsContact OD1-CA 3.22Å; N711-G754 WeakPolarHBondContact OD1-CA 3.31Å; N711-G754 PolarHBondContact OD1-N 3.39Å; W750-G754 PolarHBondContact O-N 3.38Å; W750-G754 VanDerWaalsContact O-N 3.07Å; A751-G754 PolarHBondContact O-N 3.24Å; T752-G754 VanDerWaalsContact C-N 3.33Å; T752-G754 PolarHBondContact O-N 2.89Å; G754-A756 VanDerWaalsContact C-N 3.31Å; G754-A756 PolarHBondContact O-N 2.86Å; G754-S758 VanDerWaalsContact O-CB 3.25Å; G754-S758 WeakPolarHBondContact O-CB 3.29Å; G754-S758 PolarHBondContact O-N 3.39Å |
| 755 | D | 87.3 | Confident | 86.2 | Confident | 14 Ų | 14 | 16.6 Ų | 16.6 | 8% | 0.075 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.5 | -30.7 | 177.8 | -78.6 | -30.3 | 0 | 0 | 0 | 114.3 | A751 T752 N753 R759 S765 A766 R773 | A751-D755 PolarHBondContact O-N 2.93Å; T752-D755 PolarHBondContact O-N 3.3Å; N753-D755 PolarHBondContact O-N 3.07Å; D755-R759 WeakPolarHBondContact O-CG 3.42Å; D755-R759 PolarHBondContact O-N 3.04Å; D755-R759 PolarHBondContact O-NE 2.88Å; D755-S765 VanDerWaalsContact OD1-CB 3.24Å; D755-S765 WeakPolarHBondContact OD1-CB 3.3Å; D755-A766 WeakPolarHBondContact OD1-CB 3.42Å; D755-A766 PolarHBondContact OD1-N 3.12Å; D755-R773 IonicContact OD2-CZ 2.69Å; D755-R773 IonicContact OD2-NH1 3.64Å; D755-R773 PolarHBondContact OD2-NH1 2.72Å; D755-R773 IonicContact OD2-NH2 3.44Å; D755-R773 PolarHBondContact OD2-NH2 2.83Å |
| 756 | A | 89.5 | Confident | 85.2 | Confident | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.008 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -71.9 | -56.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y177 Y301 T752 N753 G754 S758 R759 I760 | Y177-A756 HydrophobicContact CD1-CB 3.82Å; Y177-A756 HydrophobicContact CE1-CB 3.51Å; Y301-A756 HydrophobicContact CD2-CB 3.48Å; Y301-A756 VanDerWaalsContact CD2-CB 3.48Å; Y301-A756 HydrophobicContact CE2-CB 4.21Å; Y301-A756 HydrophobicContact CG-CB 3.76Å; T752-A756 WeakPolarHBondContact O-CB 3.39Å; T752-A756 PolarHBondContact O-N 2.96Å; N753-A756 PolarHBondContact O-N 3.47Å; G754-A756 VanDerWaalsContact C-N 3.31Å; G754-A756 PolarHBondContact O-N 2.86Å; A756-S758 PolarHBondContact O-N 3.06Å; A756-R759 PolarHBondContact O-N 3.34Å; A756-I760 WeakPolarHBondContact O-CG1 3.3Å; A756-I760 PolarHBondContact O-N 3.23Å; A756-I760 VanDerWaalsContact O-N 3.13Å |
| 757 | I | 90.2 | Very high | 84 | Confident | 9 Ų | 9 | 17.7 Ų | 17.7 | 5% | 0.046 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.4 | -33.3 | 178.3 | -59 | -55.8 | 0 | 0 | 0 | 111.2 | V547 L707 N753 I760 Y761 | V547-I757 HydrophobicContact CG2-CG2 4.22Å; L707-I757 HydrophobicContact CD1-CB 4.24Å; L707-I757 HydrophobicContact CD1-CG2 4.09Å; N753-I757 WeakPolarHBondContact O-CG1 3.45Å; N753-I757 PolarHBondContact O-N 2.85Å; I757-I760 HydrophobicContact CD1-CD1 3.92Å; I757-I760 PolarHBondContact O-N 2.87Å; I757-Y761 WeakPolarHBondContact O-CB 3.48Å; I757-Y761 PolarHBondContact O-N 3.34Å; I757-Y761 VanDerWaalsContact O-N 3.08Å |
| 758 | S | 86.2 | Confident | 82.6 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.2 | -43.8 | 172.1 | -174.7 | 0 | 0 | 0 | 0 | 112.7 | L707 G754 A756 I760 Y761 A762 G763 T764 S765 A766 R792 | L707-S758 VanDerWaalsContact CD2-CB 3.47Å; L707-S758 VanDerWaalsContact CD2-OG 3.29Å; L707-S758 WeakPolarHBondContact CD2-OG 3.14Å; G754-S758 VanDerWaalsContact O-CB 3.25Å; G754-S758 WeakPolarHBondContact O-CB 3.29Å; G754-S758 PolarHBondContact O-N 3.39Å; A756-S758 PolarHBondContact O-N 3.06Å; S758-I760 VanDerWaalsContact C-N 3.28Å; S758-I760 PolarHBondContact O-N 3.12Å; S758-Y761 PolarHBondContact O-N 2.86Å; S758-A762 PolarHBondContact O-N 2.92Å; S758-G763 PolarHBondContact O-N 3.43Å; S758-T764 CarbonylContact C-O 3.49Å; S758-T764 WeakPolarHBondContact CB-O 3.41Å; S758-T764 PolarHBondContact OG-O 2.74Å; S758-S765 PolarHBondContact OG-O 3.26Å; S758-A766 PolarHBondContact OG-N 3.02Å; S758-R792 PolarHBondContact OG-NH2 2.94Å |
| 759 | R | 84.8 | Confident | 81 | Confident | 52 Ų | 52 | 13 Ų | 13 | 20% | 0.196 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -69 | -28.7 | -179.3 | -81.1 | -175.8 | -91.1 | -178 | 2.8 | 112.2 | D174 Y177 D755 A756 G763 T764 R802 | D174-R759 IonicContact OD2-NH1 3.17Å; Y177-R759 HydrophobicContact CE2-CB 3.71Å; Y177-R759 WeakPolarHBondContact OH-CD 3.15Å; Y177-R759 VanDerWaalsContact OH-CZ 3.23Å; Y177-R759 PolarHBondContact OH-NE 3.12Å; Y177-R759 VanDerWaalsContact OH-NE 3.08Å; D755-R759 WeakPolarHBondContact O-CG 3.42Å; D755-R759 PolarHBondContact O-N 3.04Å; D755-R759 PolarHBondContact O-NE 2.88Å; A756-R759 PolarHBondContact O-N 3.34Å; R759-G763 WeakPolarHBondContact O-CA 3.36Å; R759-G763 PolarHBondContact O-N 3.2Å; R759-T764 WeakPolarHBondContact CA-O 3.47Å; R759-T764 VanDerWaalsContact CG-O 3.27Å; R759-T764 WeakPolarHBondContact CG-O 3.36Å; R759-T764 PolarHBondContact N-O 3.07Å; R759-R802 PolarHBondContact O-NH2 3.09Å; R759-R802 VanDerWaalsContact O-NH2 3.14Å |
| 760 | I | 85.1 | Confident | 79.1 | Confident | 8 Ų | 8 | 13.9 Ų | 13.9 | 4% | 0.041 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.2 | -57.4 | 169.4 | -57.7 | 168.9 | 0 | 0 | 0 | 110.2 | Y177 Q299 R523 A756 I757 S758 R802 | Y177-I760 HydrophobicContact CD2-CG1 3.71Å; Y177-I760 HydrophobicContact CG-CD1 4Å; Y177-I760 HydrophobicContact CG-CG1 3.71Å; Q299-I760 HydrophobicContact CG-CD1 4.02Å; Q299-I760 HydrophobicContact CG-CG2 4.33Å; Q299-I760 VanDerWaalsContact OE1-CG2 3.28Å; R523-I760 VanDerWaalsContact NH1-CG2 3.34Å; A756-I760 WeakPolarHBondContact O-CG1 3.3Å; A756-I760 PolarHBondContact O-N 3.23Å; A756-I760 VanDerWaalsContact O-N 3.13Å; I757-I760 HydrophobicContact CD1-CD1 3.92Å; I757-I760 PolarHBondContact O-N 2.87Å; S758-I760 VanDerWaalsContact C-N 3.28Å; S758-I760 PolarHBondContact O-N 3.12Å; I760-R802 PolarHBondContact O-NH2 3.38Å |
| 761 | Y | 77 | Confident | 77.3 | Confident | 8 Ų | 8 | 15.2 Ų | 15.2 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -74.9 | -49 | -170.1 | 176.4 | -128.8 | 0 | 0 | 0 | 115.2 | R531 R535 N545 I757 S758 | R531-Y761 HydrophobicContact CB-CE1 4.08Å; R531-Y761 HydrophobicContact CB-CE2 4.25Å; R531-Y761 HydrophobicContact CG-CE1 3.85Å; R531-Y761 PolarHBondContact N-O 3.39Å; R535-Y761 PolarHBondContact NH2-OH 3.18Å; R535-Y761 VanDerWaalsContact NH2-OH 3.08Å; N545-Y761 HydrophobicContact CB-CD2 4.4Å; N545-Y761 HydrophobicContact CB-CE2 4.39Å; N545-Y761 VanDerWaalsContact CG-CE2 3.44Å; N545-Y761 WeakPolarHBondContact ND2-CE2 3.49Å; N545-Y761 VanDerWaalsContact OD1-CD2 3.29Å; N545-Y761 WeakPolarHBondContact OD1-CD2 3.35Å; I757-Y761 WeakPolarHBondContact O-CB 3.48Å; I757-Y761 PolarHBondContact O-N 3.34Å; I757-Y761 VanDerWaalsContact O-N 3.08Å; S758-Y761 PolarHBondContact O-N 2.86Å |
| 762 | A | 76.3 | Confident | 75.9 | Confident | 8 Ų | 8 | 15.6 Ų | 15.6 | 7% | 0.066 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -4.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R531 S758 T764 R792 | R531-A762 HydrophobicContact CB-CB 4.47Å; S758-A762 PolarHBondContact O-N 2.92Å; A762-T764 PolarHBondContact O-N 2.97Å; A762-R792 HydrophobicContact CB-CG 4.4Å |
| 763 | G | 75.3 | Confident | 75 | Confident | 30 Ų | 30 | 16.9 Ų | 16.9 | 31% | 0.309 | 9% | 0.091 | S | C | . | . | S | Bend | trans | 71.5 | 8.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | S758 R759 L795 | S758-G763 PolarHBondContact O-N 3.43Å; R759-G763 WeakPolarHBondContact O-CA 3.36Å; R759-G763 PolarHBondContact O-N 3.2Å; G763-L795 WeakPolarHBondContact O-CD1 3.32Å |
| 764 | T | 71.8 | Confident | 73 | Confident | 8 Ų | 8 | 20.8 Ų | 20.8 | 5% | 0.049 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -126.9 | 166.3 | 172.4 | 70.6 | 0 | 0 | 0 | 0 | 110.3 | S758 R759 A762 Y788 R792 L795 | S758-T764 CarbonylContact C-O 3.49Å; S758-T764 WeakPolarHBondContact CB-O 3.41Å; S758-T764 PolarHBondContact OG-O 2.74Å; R759-T764 WeakPolarHBondContact CA-O 3.47Å; R759-T764 VanDerWaalsContact CG-O 3.27Å; R759-T764 WeakPolarHBondContact CG-O 3.36Å; R759-T764 PolarHBondContact N-O 3.07Å; A762-T764 PolarHBondContact O-N 2.97Å; T764-Y788 HydrophobicContact CG2-CD1 4.41Å; T764-R792 HydrophobicContact CG2-CG 3.67Å; T764-R792 WeakPolarHBondContact OG1-CG 3.24Å; T764-R792 PolarHBondContact OG1-NE 3.27Å; T764-L795 HydrophobicContact CG2-CD1 3.86Å |
| 765 | S | 73.4 | Confident | 71.4 | Confident | 14 Ų | 14 | 21.8 Ų | 21.8 | 10% | 0.098 | 13% | 0.125 | C | C | . | . | P | Polyproline II helix | trans | -54.3 | 164.7 | 159.3 | -65.7 | 0 | 0 | 0 | 0 | 112.1 | D755 S758 Y788 R792 | D755-S765 VanDerWaalsContact OD1-CB 3.24Å; D755-S765 WeakPolarHBondContact OD1-CB 3.3Å; S758-S765 PolarHBondContact OG-O 3.26Å; S765-Y788 VanDerWaalsContact CB-CZ 3.45Å; S765-Y788 PolarHBondContact OG-OH 2.61Å; S765-R792 PolarHBondContact O-NH2 2.91Å |
| 766 | A | 69.8 | Low | 69.6 | Low | 8 Ų | 8 | 24.1 Ų | 24.1 | 7% | 0.066 | 14% | 0.142 | C | C | . | . | P | Polyproline II helix | trans | -66 | 144.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | D708 D755 S758 | D708-A766 VanDerWaalsContact OD1-CA 3.27Å; D708-A766 WeakPolarHBondContact OD1-CA 3.24Å; D708-A766 WeakPolarHBondContact OD1-CB 3.34Å; D755-A766 WeakPolarHBondContact OD1-CB 3.42Å; D755-A766 PolarHBondContact OD1-N 3.12Å; S758-A766 PolarHBondContact OG-N 3.02Å |
| 767 | M | 66 | Low | 68.2 | Low | 40 Ų | 40 | 26.9 Ų | 26.9 | 20% | 0.197 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 154.5 | 166.6 | -70.2 | 172.7 | 65.6 | 0 | 0 | 108.6 | D708 G769 D785 S789 R792 | D708-M767 WeakPolarHBondContact CB-O 3.37Å; D708-M767 PolarHBondContact OD1-N 2.57Å; M767-G769 PolarHBondContact O-N 3.2Å; M767-D785 VanDerWaalsContact CA-OD1 3.32Å; M767-D785 WeakPolarHBondContact CA-OD1 3.21Å; M767-D785 HydrophobicContact CE-CB 4.12Å; M767-D785 HydrophobicContact CG-CB 4.4Å; M767-S789 WeakPolarHBondContact CE-OG 3.21Å; M767-R792 PolarHBondContact SD-NH1 2.75Å |
| 768 | K | 62.5 | Low | 66.9 | Low | 43 Ų | 43 | 28.6 Ų | 28.6 | 19% | 0.187 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 5.3 | -173.3 | -46 | 177.5 | 178.8 | -143.1 | 0 | 114.4 | F664 D770 Y771 D785 E1315 | F664-K768 HydrophobicContact CE1-CD 3.89Å; F664-K768 HydrophobicContact CZ-CD 3.75Å; F664-K768 HydrophobicContact CZ-CG 4.4Å; K768-D770 PolarHBondContact O-N 3.12Å; K768-Y771 VanDerWaalsContact O-CB 3.31Å; K768-Y771 WeakPolarHBondContact O-CB 3.43Å; K768-Y771 PolarHBondContact O-N 3.02Å; K768-D785 PolarHBondContact N-OD1 3.06Å; K768-D785 PolarHBondContact N-OD2 3.32Å; K768-E1315 WeakPolarHBondContact CE-OE1 3.39Å; K768-E1315 IonicContact NZ-OE1 3.59Å; K768-E1315 PolarHBondContact NZ-OE1 2.78Å; K768-E1315 IonicContact NZ-OE2 2.71Å |
| 769 | G | 55.4 | Low | 65.5 | Low | 6 Ų | 6 | 32.1 Ų | 32.1 | 6% | 0.062 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -5.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | M767 R773 | M767-G769 PolarHBondContact O-N 3.2Å; G769-R773 WeakPolarHBondContact O-CG 3.17Å; G769-R773 PolarHBondContact O-NH1 3.44Å |
| 770 | D | 54.7 | Low | 64.6 | Low | 20 Ų | 20 | 34.7 Ų | 34.7 | 11% | 0.107 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -39.9 | 162.2 | -95.9 | 18.7 | 0 | 0 | 0 | 111.4 | K768 T772 R773 T774 T778 G781 R784 | K768-D770 PolarHBondContact O-N 3.12Å; D770-T772 VanDerWaalsContact C-N 3.32Å; D770-T772 PolarHBondContact O-N 3.14Å; D770-R773 WeakPolarHBondContact O-CA 3.19Å; D770-R773 WeakPolarHBondContact O-CB 2.86Å; D770-R773 PolarHBondContact O-N 2.94Å; D770-T774 PolarHBondContact O-N 3.16Å; D770-T774 PolarHBondContact O-OG1 2.84Å; D770-T778 HydrophobicContact CB-CG2 4.49Å; D770-T778 WeakPolarHBondContact OD2-CG2 3.35Å; D770-T778 PolarHBondContact OD2-OG1 3.41Å; D770-G781 WeakPolarHBondContact OD2-CA 3.49Å; D770-G781 PolarHBondContact OD2-N 3.45Å; D770-R784 IonicContact OD1-CZ 2.99Å; D770-R784 IonicContact OD1-NH1 3.69Å; D770-R784 PolarHBondContact OD1-NH1 2.96Å; D770-R784 IonicContact OD1-NH2 3.74Å; D770-R784 PolarHBondContact OD1-NH2 3.3Å; D770-R784 IonicContact OD2-CZ 2.71Å; D770-R784 IonicContact OD2-NH2 2.67Å; D770-R784 PolarHBondContact OD2-NH2 2.61Å |
| 771 | Y | 54.6 | Low | 63.8 | Low | 28 Ų | 28 | 34.6 Ų | 34.6 | 11% | 0.11 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.7 | -43 | -177.5 | -173.3 | -90 | 0 | 0 | 0 | 111.4 | F664 Q665 L712 K768 R773 T774 G775 S776 | F664-Y771 HydrophobicContact CB-CD1 3.88Å; F664-Y771 HydrophobicContact CB-CD2 4.01Å; F664-Y771 HydrophobicContact CB-CE1 3.42Å; F664-Y771 VanDerWaalsContact CB-CE1 3.42Å; F664-Y771 HydrophobicContact CB-CE2 3.56Å; F664-Y771 HydrophobicContact CB-CG 4.19Å; F664-Y771 HydrophobicContact CD2-CD1 4.21Å; F664-Y771 AromaticContact CD2-CD2 3.37Å; F664-Y771 HydrophobicContact CD2-CD2 3.37Å; F664-Y771 HydrophobicContact CD2-CE1 4.47Å; F664-Y771 AromaticContact CD2-CE2 3.67Å; F664-Y771 HydrophobicContact CD2-CE2 3.67Å; F664-Y771 AromaticContact CD2-CG 3.7Å; F664-Y771 HydrophobicContact CD2-CG 3.7Å; F664-Y771 HydrophobicContact CE2-CD2 4.05Å; F664-Y771 HydrophobicContact CE2-CG 4.21Å; F664-Y771 HydrophobicContact CG-CD1 4.02Å; F664-Y771 AromaticContact CG-CD2 3.95Å; F664-Y771 HydrophobicContact CG-CD2 3.95Å; F664-Y771 HydrophobicContact CG-CE1 4.08Å; F664-Y771 AromaticContact CG-CE2 4Å; F664-Y771 HydrophobicContact CG-CE2 4Å; F664-Y771 AromaticContact CG-CG 3.99Å; F664-Y771 HydrophobicContact CG-CG 3.99Å; Q665-Y771 PolarHBondContact N-OH 2.94Å; L712-Y771 HydrophobicContact CD1-CD1 3.68Å; L712-Y771 HydrophobicContact CD1-CE1 3.84Å; L712-Y771 HydrophobicContact CD2-CD1 3.63Å; L712-Y771 HydrophobicContact CD2-CE1 3.85Å; L712-Y771 HydrophobicContact CG-CD1 4.32Å; L712-Y771 HydrophobicContact CG-CE1 4.49Å; K768-Y771 VanDerWaalsContact O-CB 3.31Å; K768-Y771 WeakPolarHBondContact O-CB 3.43Å; K768-Y771 PolarHBondContact O-N 3.02Å; Y771-R773 PolarHBondContact O-N 2.87Å; Y771-R773 VanDerWaalsContact O-N 3.17Å; Y771-T774 PolarHBondContact O-N 3.11Å; Y771-G775 WeakPolarHBondContact CE2-O 3.16Å; Y771-G775 VanDerWaalsContact CZ-C 3.49Å; Y771-G775 WeakPolarHBondContact O-CA 3.46Å; Y771-G775 PolarHBondContact O-N 2.94Å; Y771-G775 PolarHBondContact OH-O 3.48Å; Y771-S776 VanDerWaalsContact CD2-N 3.33Å |
| 772 | T | 60.4 | Low | 63.3 | Low | 10 Ų | 10 | 35.1 Ų | 35.1 | 6% | 0.061 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62 | -20.5 | 173.9 | -43.9 | 0 | 0 | 0 | 0 | 113.1 | C715 Q747 W750 A751 D770 | C715-T772 HydrophobicContact CB-CG2 4.16Å; Q747-T772 WeakPolarHBondContact CB-O 3.44Å; W750-T772 HydrophobicContact CB-CG2 4.32Å; A751-T772 HydrophobicContact CB-CG2 3.9Å; D770-T772 VanDerWaalsContact C-N 3.32Å; D770-T772 PolarHBondContact O-N 3.14Å |
| 773 | R | 72.2 | Confident | 62.9 | Low | 45 Ų | 45 | 41 Ų | 41 | 17% | 0.17 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -92.2 | -29 | 178.6 | -67.3 | -179.8 | 167.6 | 100.4 | -4.1 | 114.5 | A751 T752 D755 G769 D770 Y771 | A751-R773 HydrophobicContact CB-CB 4.45Å; A751-R773 HydrophobicContact CB-CG 3.23Å; T752-R773 PolarHBondContact OG1-NH2 2.67Å; D755-R773 IonicContact OD2-CZ 2.69Å; D755-R773 IonicContact OD2-NH1 3.64Å; D755-R773 PolarHBondContact OD2-NH1 2.72Å; D755-R773 IonicContact OD2-NH2 3.44Å; D755-R773 PolarHBondContact OD2-NH2 2.83Å; G769-R773 WeakPolarHBondContact O-CG 3.17Å; G769-R773 PolarHBondContact O-NH1 3.44Å; D770-R773 WeakPolarHBondContact O-CA 3.19Å; D770-R773 WeakPolarHBondContact O-CB 2.86Å; D770-R773 PolarHBondContact O-N 2.94Å; Y771-R773 PolarHBondContact O-N 2.87Å; Y771-R773 VanDerWaalsContact O-N 3.17Å |
| 774 | T | 51.3 | Low | 62.6 | Low | 82 Ų | 82 | 42.9 Ų | 42.9 | 50% | 0.503 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -130.3 | -0.3 | -169.4 | 48.6 | 0 | 0 | 0 | 0 | 114.9 | D770 Y771 S776 | D770-T774 PolarHBondContact O-N 3.16Å; D770-T774 PolarHBondContact O-OG1 2.84Å; Y771-T774 PolarHBondContact O-N 3.11Å; T774-S776 PolarHBondContact O-N 3.15Å; T774-S776 VanDerWaalsContact O-N 3.08Å; T774-S776 PolarHBondContact OG1-O 2.57Å |
| 775 | G | 55.9 | Low | 62.6 | Low | 23 Ų | 23 | 43.3 Ų | 43.3 | 24% | 0.237 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 59.9 | 18.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y771 | Y771-G775 WeakPolarHBondContact CE2-O 3.16Å; Y771-G775 VanDerWaalsContact CZ-C 3.49Å; Y771-G775 WeakPolarHBondContact O-CA 3.46Å; Y771-G775 PolarHBondContact O-N 2.94Å; Y771-G775 PolarHBondContact OH-O 3.48Å |
| 776 | S | 48.5 | Very low | 62.4 | Low | 63 Ų | 63 | 44.5 Ų | 44.5 | 44% | 0.441 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -162.3 | 148.9 | -173.6 | -75.3 | 0 | 0 | 0 | 0 | 110.3 | Y771 T774 | Y771-S776 VanDerWaalsContact CD2-N 3.33Å; T774-S776 PolarHBondContact O-N 3.15Å; T774-S776 VanDerWaalsContact O-N 3.08Å; T774-S776 PolarHBondContact OG1-O 2.57Å |
| 777 | R | 60 | Low | 62.5 | Low | 60 Ų | 60 | 46.5 Ų | 46.5 | 23% | 0.226 | 26% | 0.26 | C | S | . | . | trans | -83.9 | 131.2 | -178.5 | -171.3 | 179.5 | -164.8 | 80.9 | 6.3 | 110.5 | S662 L782 I1314 E1315 | S662-R777 WeakPolarHBondContact OG-CD 2.99Å; S662-R777 PolarHBondContact OG-NE 2.79Å; S662-R777 PolarHBondContact OG-NH1 3.32Å; R777-L782 HydrophobicContact CG-CD1 4.27Å; R777-I1314 PolarHBondContact NE-O 2.77Å; R777-I1314 PolarHBondContact NH2-O 2.99Å; R777-E1315 IonicContact CZ-OE1 2.77Å; R777-E1315 VanDerWaalsContact NH1-CG 3.32Å; R777-E1315 IonicContact NH1-OE1 2.63Å; R777-E1315 PolarHBondContact NH1-OE1 3.1Å; R777-E1315 IonicContact NH2-OE1 3.58Å | ||
| 778 | T | 64.5 | Low | 62.9 | Low | 45 Ų | 45 | 47.1 Ų | 47.1 | 28% | 0.276 | 26% | 0.26 | S | S | . | . | trans | -107.6 | 145.9 | 177.5 | 93.7 | 0 | 0 | 0 | 0 | 111.6 | D770 N780 G781 L782 | D770-T778 HydrophobicContact CB-CG2 4.49Å; D770-T778 WeakPolarHBondContact OD2-CG2 3.35Å; D770-T778 PolarHBondContact OD2-OG1 3.41Å; T778-N780 PolarHBondContact O-N 2.78Å; T778-N780 PolarHBondContact OG1-N 3Å; T778-G781 WeakPolarHBondContact O-CA 3.34Å; T778-G781 PolarHBondContact O-N 3Å; T778-G781 PolarHBondContact OG1-N 3.15Å; T778-L782 PolarHBondContact O-N 3.03Å | ||
| 779 | V | 55.1 | Low | 63.2 | Low | 74 Ų | 74 | 46.2 Ų | 46.2 | 45% | 0.448 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.2 | -30.4 | 174.2 | -175.8 | 0 | 0 | 0 | 0 | 111.8 | L782 M783 | V779-L782 WeakPolarHBondContact O-CB 3.27Å; V779-L782 PolarHBondContact O-N 3Å; V779-M783 HydrophobicContact CG1-CE 4.44Å; V779-M783 PolarHBondContact O-N 3.28Å; V779-M783 VanDerWaalsContact O-N 3.12Å |
| 780 | N | 67.6 | Low | 64 | Low | 106 Ų | 106 | 49.1 Ų | 49.1 | 57% | 0.567 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -73.2 | -26.9 | 173.7 | -78.6 | -47.3 | 0 | 0 | 0 | 113.1 | T778 R784 | T778-N780 PolarHBondContact O-N 2.78Å; T778-N780 PolarHBondContact OG1-N 3Å; N780-R784 WeakPolarHBondContact O-CG 3.2Å; N780-R784 PolarHBondContact O-N 3.1Å; N780-R784 PolarHBondContact O-NE 3.14Å; N780-R784 PolarHBondContact O-NH2 3.33Å |
| 781 | G | 66.8 | Low | 64.7 | Low | 5 Ų | 5 | 49.6 Ų | 49.6 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.5 | -47.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | D770 T778 M783 R784 D785 | D770-G781 WeakPolarHBondContact OD2-CA 3.49Å; D770-G781 PolarHBondContact OD2-N 3.45Å; T778-G781 WeakPolarHBondContact O-CA 3.34Å; T778-G781 PolarHBondContact O-N 3Å; T778-G781 PolarHBondContact OG1-N 3.15Å; G781-M783 PolarHBondContact O-N 2.77Å; G781-R784 CarbonylContact O-C 3.14Å; G781-R784 WeakPolarHBondContact O-CA 3.22Å; G781-R784 VanDerWaalsContact O-CB 3.3Å; G781-R784 WeakPolarHBondContact O-CB 3.29Å; G781-R784 PolarHBondContact O-N 2.76Å; G781-D785 PolarHBondContact O-N 2.64Å |
| 782 | L | 67.6 | Low | 65.6 | Low | 20 Ų | 20 | 48.6 Ų | 48.6 | 11% | 0.105 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -46.7 | -53 | 173.8 | -137.9 | 60.1 | 0 | 0 | 0 | 112.9 | R777 T778 V779 R784 D785 G786 I1314 | R777-L782 HydrophobicContact CG-CD1 4.27Å; T778-L782 PolarHBondContact O-N 3.03Å; V779-L782 WeakPolarHBondContact O-CB 3.27Å; V779-L782 PolarHBondContact O-N 3Å; L782-R784 VanDerWaalsContact C-N 3.3Å; L782-R784 PolarHBondContact O-N 2.77Å; L782-D785 PolarHBondContact O-N 3.27Å; L782-G786 PolarHBondContact O-N 2.99Å; L782-G786 VanDerWaalsContact O-N 3.13Å; L782-I1314 HydrophobicContact CD1-CB 3.91Å; L782-I1314 VanDerWaalsContact CD1-O 3.3Å; L782-I1314 WeakPolarHBondContact CD1-O 3.47Å; L782-I1314 HydrophobicContact CD2-CB 3.91Å; L782-I1314 HydrophobicContact CD2-CD1 3.84Å; L782-I1314 HydrophobicContact CD2-CG1 3.95Å; L782-I1314 HydrophobicContact CG-CB 3.9Å; L782-I1314 HydrophobicContact CG-CD1 4.09Å; L782-I1314 HydrophobicContact CG-CG1 4.33Å |
| 783 | M | 68.2 | Low | 65.9 | Low | 132 Ų | 132 | 52 Ų | 52 | 65% | 0.65 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -71.7 | -21.7 | 177.8 | -66.3 | -168.9 | -177.4 | 0 | 0 | 113.7 | V779 G781 V787 | V779-M783 HydrophobicContact CG1-CE 4.44Å; V779-M783 PolarHBondContact O-N 3.28Å; V779-M783 VanDerWaalsContact O-N 3.12Å; G781-M783 PolarHBondContact O-N 2.77Å; M783-V787 WeakPolarHBondContact O-CG2 3.3Å; M783-V787 PolarHBondContact O-N 3.2Å |
| 784 | R | 68.6 | Low | 65.8 | Low | 68 Ų | 68 | 54.4 Ų | 54.4 | 26% | 0.257 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -75.9 | -47.3 | 172.2 | -89.7 | 177.9 | -77 | 156.8 | 0.1 | 110.6 | D770 N780 G781 L782 G786 V787 Y788 | D770-R784 IonicContact OD1-CZ 2.99Å; D770-R784 IonicContact OD1-NH1 3.69Å; D770-R784 PolarHBondContact OD1-NH1 2.96Å; D770-R784 IonicContact OD1-NH2 3.74Å; D770-R784 PolarHBondContact OD1-NH2 3.3Å; D770-R784 IonicContact OD2-CZ 2.71Å; D770-R784 IonicContact OD2-NH2 2.67Å; D770-R784 PolarHBondContact OD2-NH2 2.61Å; N780-R784 WeakPolarHBondContact O-CG 3.2Å; N780-R784 PolarHBondContact O-N 3.1Å; N780-R784 PolarHBondContact O-NE 3.14Å; N780-R784 PolarHBondContact O-NH2 3.33Å; G781-R784 CarbonylContact O-C 3.14Å; G781-R784 WeakPolarHBondContact O-CA 3.22Å; G781-R784 VanDerWaalsContact O-CB 3.3Å; G781-R784 WeakPolarHBondContact O-CB 3.29Å; G781-R784 PolarHBondContact O-N 2.76Å; L782-R784 VanDerWaalsContact C-N 3.3Å; L782-R784 PolarHBondContact O-N 2.77Å; R784-G786 VanDerWaalsContact C-N 3.35Å; R784-G786 PolarHBondContact O-N 3.38Å; R784-V787 CarbonylContact O-C 3.5Å; R784-V787 WeakPolarHBondContact O-CA 3.32Å; R784-V787 WeakPolarHBondContact O-CB 3.28Å; R784-V787 PolarHBondContact O-N 2.6Å; R784-Y788 HydrophobicContact CB-CD2 4.29Å; R784-Y788 HydrophobicContact CB-CE2 3.74Å; R784-Y788 HydrophobicContact CG-CE2 4.39Å; R784-Y788 WeakPolarHBondContact O-CD2 3.37Å; R784-Y788 PolarHBondContact O-N 3.08Å |
| 785 | D | 72.7 | Confident | 66.9 | Low | 17 Ų | 17 | 52.6 Ų | 52.6 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.9 | -45.7 | 177.2 | -75.9 | -0.1 | 0 | 0 | 0 | 111.4 | M767 K768 G781 L782 V787 Y788 S789 | M767-D785 VanDerWaalsContact CA-OD1 3.32Å; M767-D785 WeakPolarHBondContact CA-OD1 3.21Å; M767-D785 HydrophobicContact CE-CB 4.12Å; M767-D785 HydrophobicContact CG-CB 4.4Å; K768-D785 PolarHBondContact N-OD1 3.06Å; K768-D785 PolarHBondContact N-OD2 3.32Å; G781-D785 PolarHBondContact O-N 2.64Å; L782-D785 PolarHBondContact O-N 3.27Å; D785-V787 VanDerWaalsContact C-N 3.32Å; D785-V787 PolarHBondContact O-N 3.37Å; D785-Y788 CarbonylContact O-C 3.54Å; D785-Y788 WeakPolarHBondContact O-CA 3.46Å; D785-Y788 PolarHBondContact O-N 3.28Å; D785-Y788 VanDerWaalsContact O-N 3.08Å; D785-S789 PolarHBondContact O-N 2.91Å; D785-S789 PolarHBondContact O-OG 3.47Å |
| 786 | G | 67.5 | Low | 67.6 | Low | 39 Ų | 39 | 52.2 Ų | 52.2 | 40% | 0.402 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.2 | -37.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L782 R784 V790 | L782-G786 PolarHBondContact O-N 2.99Å; L782-G786 VanDerWaalsContact O-N 3.13Å; R784-G786 VanDerWaalsContact C-N 3.35Å; R784-G786 PolarHBondContact O-N 3.38Å; G786-V790 WeakPolarHBondContact O-CG2 3.48Å; G786-V790 PolarHBondContact O-N 3.41Å |
| 787 | V | 72 | Confident | 68.5 | Low | 50 Ų | 50 | 52.2 Ų | 52.2 | 30% | 0.303 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -71.3 | -35 | 173.3 | 170 | 0 | 0 | 0 | 0 | 111.5 | M783 R784 D785 S791 M1435 | M783-V787 WeakPolarHBondContact O-CG2 3.3Å; M783-V787 PolarHBondContact O-N 3.2Å; R784-V787 CarbonylContact O-C 3.5Å; R784-V787 WeakPolarHBondContact O-CA 3.32Å; R784-V787 WeakPolarHBondContact O-CB 3.28Å; R784-V787 PolarHBondContact O-N 2.6Å; D785-V787 VanDerWaalsContact C-N 3.32Å; D785-V787 PolarHBondContact O-N 3.37Å; V787-S791 VanDerWaalsContact O-CB 3.31Å; V787-S791 WeakPolarHBondContact O-CB 3.4Å; V787-S791 PolarHBondContact O-N 2.75Å; V787-S791 PolarHBondContact O-OG 3.46Å; V787-M1435 HydrophobicContact CG2-CE 4.27Å |
| 788 | Y | 75.7 | Confident | 69 | Low | 54 Ų | 54 | 53.8 Ų | 53.8 | 21% | 0.212 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.4 | -39.9 | 174.1 | -62.2 | -42.9 | 0 | 0 | 0 | 111.8 | T764 S765 R784 D785 V790 S791 R792 | T764-Y788 HydrophobicContact CG2-CD1 4.41Å; S765-Y788 VanDerWaalsContact CB-CZ 3.45Å; S765-Y788 PolarHBondContact OG-OH 2.61Å; R784-Y788 HydrophobicContact CB-CD2 4.29Å; R784-Y788 HydrophobicContact CB-CE2 3.74Å; R784-Y788 HydrophobicContact CG-CE2 4.39Å; R784-Y788 WeakPolarHBondContact O-CD2 3.37Å; R784-Y788 PolarHBondContact O-N 3.08Å; D785-Y788 CarbonylContact O-C 3.54Å; D785-Y788 WeakPolarHBondContact O-CA 3.46Å; D785-Y788 PolarHBondContact O-N 3.28Å; D785-Y788 VanDerWaalsContact O-N 3.08Å; Y788-V790 PolarHBondContact O-N 2.92Å; Y788-S791 CarbonylContact O-C 3.59Å; Y788-S791 PolarHBondContact O-N 2.96Å; Y788-S791 VanDerWaalsContact O-N 3.13Å; Y788-R792 WeakPolarHBondContact O-CB 3.48Å; Y788-R792 VanDerWaalsContact O-CG 3.3Å; Y788-R792 WeakPolarHBondContact O-CG 3.41Å; Y788-R792 PolarHBondContact O-N 3.39Å |
| 789 | S | 68.3 | Low | 69.5 | Low | 24 Ų | 24 | 52.1 Ų | 52.1 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.1 | -49.7 | 172.8 | -64.5 | 0 | 0 | 0 | 0 | 112.3 | M767 D785 S791 R792 Y793 | M767-S789 WeakPolarHBondContact CE-OG 3.21Å; D785-S789 PolarHBondContact O-N 2.91Å; D785-S789 PolarHBondContact O-OG 3.47Å; S789-S791 VanDerWaalsContact C-N 3.27Å; S789-S791 PolarHBondContact O-N 2.74Å; S789-R792 PolarHBondContact O-N 2.74Å; S789-Y793 PolarHBondContact O-N 3.46Å |
| 790 | V | 71.4 | Confident | 70.4 | Confident | 67 Ų | 67 | 48.8 Ų | 48.8 | 41% | 0.406 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.2 | -36 | 175.8 | 174.2 | 0 | 0 | 0 | 0 | 111.7 | G786 Y788 Y794 M1442 | G786-V790 WeakPolarHBondContact O-CG2 3.48Å; G786-V790 PolarHBondContact O-N 3.41Å; Y788-V790 PolarHBondContact O-N 2.92Å; V790-Y794 PolarHBondContact O-N 2.79Å; V790-M1442 HydrophobicContact CG1-CE 3.67Å |
| 791 | S | 70.1 | Confident | 71 | Confident | 29 Ų | 29 | 44.7 Ų | 44.7 | 20% | 0.203 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.5 | -44.2 | 178.4 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | V787 Y788 S789 Y793 Y794 L795 | V787-S791 VanDerWaalsContact O-CB 3.31Å; V787-S791 WeakPolarHBondContact O-CB 3.4Å; V787-S791 PolarHBondContact O-N 2.75Å; V787-S791 PolarHBondContact O-OG 3.46Å; Y788-S791 CarbonylContact O-C 3.59Å; Y788-S791 PolarHBondContact O-N 2.96Å; Y788-S791 VanDerWaalsContact O-N 3.13Å; S789-S791 VanDerWaalsContact C-N 3.27Å; S789-S791 PolarHBondContact O-N 2.74Å; S791-Y793 VanDerWaalsContact C-N 3.3Å; S791-Y793 PolarHBondContact O-N 3.09Å; S791-Y794 PolarHBondContact O-N 3.3Å; S791-L795 WeakPolarHBondContact O-CB 3.4Å; S791-L795 WeakPolarHBondContact O-CD1 3.22Å; S791-L795 VanDerWaalsContact O-CG 3.22Å; S791-L795 WeakPolarHBondContact O-CG 3.49Å; S791-L795 PolarHBondContact O-N 3.27Å |
| 792 | R | 72.4 | Confident | 71.8 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.1 | -42.2 | 172.9 | -73.1 | 175.3 | 174.8 | -170 | -5.6 | 110.2 | D708 S758 A762 T764 S765 M767 Y788 S789 L795 R796 | D708-R792 IonicContact OD1-NH2 3.64Å; D708-R792 PolarHBondContact OD1-NH2 3.2Å; D708-R792 IonicContact OD2-CZ 3.99Å; D708-R792 IonicContact OD2-NH1 3.75Å; D708-R792 PolarHBondContact OD2-NH1 2.86Å; D708-R792 IonicContact OD2-NH2 2.99Å; D708-R792 PolarHBondContact OD2-NH2 2.87Å; S758-R792 PolarHBondContact OG-NH2 2.94Å; A762-R792 HydrophobicContact CB-CG 4.4Å; T764-R792 HydrophobicContact CG2-CG 3.67Å; T764-R792 WeakPolarHBondContact OG1-CG 3.24Å; T764-R792 PolarHBondContact OG1-NE 3.27Å; S765-R792 PolarHBondContact O-NH2 2.91Å; M767-R792 PolarHBondContact SD-NH1 2.75Å; Y788-R792 WeakPolarHBondContact O-CB 3.48Å; Y788-R792 VanDerWaalsContact O-CG 3.3Å; Y788-R792 WeakPolarHBondContact O-CG 3.41Å; Y788-R792 PolarHBondContact O-N 3.39Å; S789-R792 PolarHBondContact O-N 2.74Å; R792-L795 PolarHBondContact O-N 3.43Å; R792-R796 PolarHBondContact O-N 2.79Å |
| 793 | Y | 68.1 | Low | 72.7 | Confident | 82 Ų | 82 | 45.6 Ų | 45.6 | 32% | 0.322 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.9 | -42.3 | 174.7 | -176.9 | -98.8 | 0 | 0 | 0 | 113.5 | Y584 S789 S791 R796 | Y584-Y793 AromaticContact CD2-CD2 3.73Å; Y584-Y793 HydrophobicContact CD2-CD2 3.73Å; Y584-Y793 HydrophobicContact CD2-CE2 4.25Å; Y584-Y793 HydrophobicContact CD2-CG 4.23Å; Y584-Y793 HydrophobicContact CE2-CD2 4.44Å; S789-Y793 PolarHBondContact O-N 3.46Å; S791-Y793 VanDerWaalsContact C-N 3.3Å; S791-Y793 PolarHBondContact O-N 3.09Å; Y793-R796 WeakPolarHBondContact O-CB 3.47Å; Y793-R796 PolarHBondContact O-N 3.35Å |
| 794 | Y | 70.3 | Confident | 73.5 | Confident | 96 Ų | 96 | 39.3 Ų | 39.3 | 38% | 0.376 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.9 | -39.8 | 174.4 | 175.1 | -103.2 | 0 | 0 | 0 | 112.2 | V790 S791 R796 L797 A1441 | V790-Y794 PolarHBondContact O-N 2.79Å; S791-Y794 PolarHBondContact O-N 3.3Å; Y794-R796 VanDerWaalsContact C-N 3.31Å; Y794-R796 PolarHBondContact O-N 3.09Å; Y794-L797 WeakPolarHBondContact O-CB 3.46Å; Y794-L797 PolarHBondContact O-N 2.81Å; Y794-L797 VanDerWaalsContact O-N 3.16Å; Y794-A1441 HydrophobicContact CE2-CB 4.02Å |
| 795 | L | 72.8 | Confident | 74.4 | Confident | 44 Ų | 44 | 36.1 Ų | 36.1 | 23% | 0.23 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.4 | -30.5 | 177.8 | -72.1 | 164.4 | 0 | 0 | 0 | 112.2 | G763 T764 S791 R792 L797 R798 E799 | G763-L795 WeakPolarHBondContact O-CD1 3.32Å; T764-L795 HydrophobicContact CG2-CD1 3.86Å; S791-L795 WeakPolarHBondContact O-CB 3.4Å; S791-L795 WeakPolarHBondContact O-CD1 3.22Å; S791-L795 VanDerWaalsContact O-CG 3.22Å; S791-L795 WeakPolarHBondContact O-CG 3.49Å; S791-L795 PolarHBondContact O-N 3.27Å; R792-L795 PolarHBondContact O-N 3.43Å; L795-L797 PolarHBondContact O-N 3.13Å; L795-L797 VanDerWaalsContact O-N 3.12Å; L795-R798 CarbonylContact O-C 3.28Å; L795-R798 WeakPolarHBondContact O-CA 3.44Å; L795-R798 WeakPolarHBondContact O-CB 3.4Å; L795-R798 PolarHBondContact O-N 3.48Å; L795-E799 PolarHBondContact O-N 2.79Å |
| 796 | R | 71.8 | Confident | 75.2 | Confident | 15 Ų | 15 | 36 Ų | 36 | 6% | 0.057 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -54.1 | -31.1 | 171.2 | -160 | -171.9 | -59.6 | 172 | 11.8 | 112.9 | Y532 S581 L582 V583 Y584 R792 Y793 Y794 R798 E799 | Y532-R796 HydrophobicContact CD2-CB 4.36Å; Y532-R796 HydrophobicContact CD2-CG 3.72Å; Y532-R796 HydrophobicContact CE2-CG 4.37Å; Y532-R796 HydrophobicContact CG-CG 4.2Å; Y532-R796 PolarHBondContact OH-NH2 3.18Å; Y532-R796 VanDerWaalsContact OH-NH2 3.1Å; S581-R796 PolarHBondContact O-NH1 2.9Å; L582-R796 HydrophobicContact CD2-CG 4.13Å; V583-R796 PolarHBondContact O-NH1 3.22Å; Y584-R796 PolarHBondContact O-NH1 3.26Å; Y584-R796 PolarHBondContact O-NH2 3.36Å; R792-R796 PolarHBondContact O-N 2.79Å; Y793-R796 WeakPolarHBondContact O-CB 3.47Å; Y793-R796 PolarHBondContact O-N 3.35Å; Y794-R796 VanDerWaalsContact C-N 3.31Å; Y794-R796 PolarHBondContact O-N 3.09Å; R796-R798 VanDerWaalsContact C-N 3.3Å; R796-R798 PolarHBondContact O-N 3.08Å; R796-E799 WeakPolarHBondContact CA-OE1 3.41Å; R796-E799 PolarHBondContact O-N 3.35Å |
| 797 | L | 66.2 | Low | 76.2 | Confident | 63 Ų | 63 | 34.4 Ų | 34.4 | 33% | 0.33 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -17.9 | 175.1 | -55.5 | 176.1 | 0 | 0 | 0 | 113.6 | L582 Y794 L795 | L582-L797 HydrophobicContact CD1-CD2 4.38Å; L582-L797 HydrophobicContact CD2-CD2 4.19Å; Y794-L797 WeakPolarHBondContact O-CB 3.46Å; Y794-L797 PolarHBondContact O-N 2.81Å; Y794-L797 VanDerWaalsContact O-N 3.16Å; L795-L797 PolarHBondContact O-N 3.13Å; L795-L797 VanDerWaalsContact O-N 3.12Å |
| 798 | R | 71.7 | Confident | 77 | Confident | 92 Ų | 92 | 32.5 Ų | 32.5 | 35% | 0.347 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -9.8 | 172.7 | -76.7 | -177 | 63.6 | 150.6 | -0.2 | 113.7 | E165 L795 R796 I800 T801 R802 | E165-R798 IonicContact OE2-CZ 3.78Å; E165-R798 IonicContact OE2-NE 2.74Å; E165-R798 IonicContact OE2-NH2 3.94Å; E165-R798 PolarHBondContact OE2-NH2 2.94Å; L795-R798 CarbonylContact O-C 3.28Å; L795-R798 WeakPolarHBondContact O-CA 3.44Å; L795-R798 WeakPolarHBondContact O-CB 3.4Å; L795-R798 PolarHBondContact O-N 3.48Å; R796-R798 VanDerWaalsContact C-N 3.3Å; R796-R798 PolarHBondContact O-N 3.08Å; R798-I800 PolarHBondContact O-N 3.41Å; R798-T801 PolarHBondContact O-N 2.91Å; R798-R802 PolarHBondContact O-N 3.05Å |
| 799 | E | 74.6 | Confident | 77.6 | Confident | 10 Ų | 10 | 30 Ų | 30 | 5% | 0.047 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.4 | -26.5 | -172.8 | -85 | -176.1 | -139.4 | 0 | 0 | 114 | T530 Y532 R533 L795 R796 R802 Q803 | T530-E799 WeakPolarHBondContact CB-OE2 3.48Å; T530-E799 HydrophobicContact CG2-CB 4.41Å; T530-E799 HydrophobicContact CG2-CG 4.03Å; T530-E799 VanDerWaalsContact OG1-CD 3.27Å; T530-E799 WeakPolarHBondContact OG1-CG 3.35Å; T530-E799 PolarHBondContact OG1-OE2 2.82Å; Y532-E799 WeakPolarHBondContact CD2-OE1 3.3Å; Y532-E799 PolarHBondContact N-OE2 3.04Å; R533-E799 HydrophobicContact CG-CB 4.36Å; L795-E799 PolarHBondContact O-N 2.79Å; R796-E799 WeakPolarHBondContact CA-OE1 3.41Å; R796-E799 PolarHBondContact O-N 3.35Å; E799-R802 PolarHBondContact O-N 3.02Å; E799-Q803 WeakPolarHBondContact O-CB 3.35Å; E799-Q803 PolarHBondContact O-N 3.13Å |
| 800 | I | 74.6 | Confident | 78.5 | Confident | 5 Ų | 5 | 31.4 Ų | 31.4 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.2 | -51.8 | 173.9 | -71.8 | 163.1 | 0 | 0 | 0 | 111.6 | R798 R802 Q803 A804 M820 L821 | R798-I800 PolarHBondContact O-N 3.41Å; I800-R802 VanDerWaalsContact C-N 3.3Å; I800-R802 PolarHBondContact O-N 2.86Å; I800-Q803 PolarHBondContact O-N 2.66Å; I800-A804 WeakPolarHBondContact O-CB 3.18Å; I800-A804 PolarHBondContact O-N 3.42Å; I800-M820 HydrophobicContact CB-CE 4.33Å; I800-M820 HydrophobicContact CD1-CE 3.58Å; I800-M820 HydrophobicContact CG1-CE 3.74Å; I800-M820 HydrophobicContact CG2-CE 3.6Å; I800-L821 HydrophobicContact CG2-CD1 3.97Å; I800-L821 HydrophobicContact CG2-CD2 4.01Å; I800-L821 HydrophobicContact CG2-CG 3.82Å |
| 801 | T | 78.6 | Confident | 79.2 | Confident | 20 Ų | 20 | 29.3 Ų | 29.3 | 12% | 0.123 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.6 | -39.3 | 177.7 | -45.5 | 0 | 0 | 0 | 0 | 111.2 | R161 I162 E165 R798 A805 | R161-T801 HydrophobicContact CB-CG2 4.36Å; I162-T801 HydrophobicContact CD1-CG2 4.31Å; E165-T801 HydrophobicContact CB-CG2 4.34Å; R798-T801 PolarHBondContact O-N 2.91Å; T801-A805 WeakPolarHBondContact O-CB 3.25Å; T801-A805 PolarHBondContact O-N 3.41Å |
| 802 | R | 84.1 | Confident | 79.9 | Confident | 44 Ų | 44 | 31.2 Ų | 31.2 | 17% | 0.166 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.9 | -42.7 | -179.5 | -171.4 | 176 | -179.3 | 83.8 | -6 | 112.4 | E165 M169 T530 R759 I760 R798 E799 I800 A805 I806 | E165-R802 HydrophobicContact CG-CB 4.4Å; E165-R802 WeakPolarHBondContact OE1-CG 3.2Å; E165-R802 IonicContact OE1-NH1 3.61Å; E165-R802 PolarHBondContact OE1-NH1 3.06Å; M169-R802 HydrophobicContact CE-CB 4.46Å; M169-R802 HydrophobicContact CE-CG 3.53Å; M169-R802 WeakPolarHBondContact CE-O 3.24Å; T530-R802 HydrophobicContact CG2-CB 4Å; T530-R802 HydrophobicContact CG2-CG 3.75Å; R759-R802 PolarHBondContact O-NH2 3.09Å; R759-R802 VanDerWaalsContact O-NH2 3.14Å; I760-R802 PolarHBondContact O-NH2 3.38Å; R798-R802 PolarHBondContact O-N 3.05Å; E799-R802 PolarHBondContact O-N 3.02Å; I800-R802 VanDerWaalsContact C-N 3.3Å; I800-R802 PolarHBondContact O-N 2.86Å; R802-A805 PolarHBondContact O-N 3.49Å; R802-I806 HydrophobicContact CG-CD1 4.28Å; R802-I806 VanDerWaalsContact O-CG1 3.3Å; R802-I806 WeakPolarHBondContact O-CG1 3.43Å; R802-I806 PolarHBondContact O-N 3.12Å |
| 803 | Q | 86.7 | Confident | 80 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.2 | -43.3 | 176.3 | -175.6 | 62.4 | 52.5 | 0 | 0 | 110.8 | A528 T530 R533 E799 I800 A805 I806 D807 E817 | A528-Q803 PolarHBondContact O-NE2 2.8Å; T530-Q803 HydrophobicContact CG2-CB 4.46Å; R533-Q803 HydrophobicContact CB-CB 4.47Å; R533-Q803 HydrophobicContact CB-CG 4.23Å; E799-Q803 WeakPolarHBondContact O-CB 3.35Å; E799-Q803 PolarHBondContact O-N 3.13Å; I800-Q803 PolarHBondContact O-N 2.66Å; Q803-A805 VanDerWaalsContact C-N 3.33Å; Q803-A805 PolarHBondContact O-N 3.3Å; Q803-I806 WeakPolarHBondContact O-CB 3.45Å; Q803-I806 PolarHBondContact O-N 3.44Å; Q803-I806 VanDerWaalsContact O-N 3.15Å; Q803-D807 PolarHBondContact NE2-OD1 3.26Å; Q803-D807 WeakPolarHBondContact O-CB 3.43Å; Q803-D807 PolarHBondContact O-N 3.47Å; Q803-E817 HydrophobicContact CB-CG 4.09Å; Q803-E817 HydrophobicContact CG-CB 4.49Å; Q803-E817 HydrophobicContact CG-CG 3.98Å |
| 804 | A | 85 | Confident | 80.2 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.7 | -39.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I162 I800 D807 L808 E817 L818 L821 | I162-A804 HydrophobicContact CD1-CB 4.19Å; I800-A804 WeakPolarHBondContact O-CB 3.18Å; I800-A804 PolarHBondContact O-N 3.42Å; A804-D807 PolarHBondContact O-N 2.88Å; A804-L808 VanDerWaalsContact O-CB 3.29Å; A804-L808 WeakPolarHBondContact O-CB 3.49Å; A804-L808 PolarHBondContact O-N 3.42Å; A804-E817 HydrophobicContact CB-CB 4.12Å; A804-L818 HydrophobicContact CB-CD2 3.83Å; A804-L818 HydrophobicContact CB-CG 4.03Å; A804-L821 HydrophobicContact CB-CD1 3.32Å |
| 805 | A | 87.8 | Confident | 80.6 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.1 | -37.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E165 L166 M169 T801 R802 Q803 F809 | E165-A805 HydrophobicContact CB-CB 4.34Å; E165-A805 HydrophobicContact CG-CB 4.07Å; L166-A805 HydrophobicContact CD2-CB 3.75Å; L166-A805 WeakPolarHBondContact CD2-O 3.5Å; L166-A805 HydrophobicContact CG-CB 4.24Å; M169-A805 HydrophobicContact CE-CB 3.98Å; M169-A805 HydrophobicContact SD-CB 4.47Å; T801-A805 WeakPolarHBondContact O-CB 3.25Å; T801-A805 PolarHBondContact O-N 3.41Å; R802-A805 PolarHBondContact O-N 3.49Å; Q803-A805 VanDerWaalsContact C-N 3.33Å; Q803-A805 PolarHBondContact O-N 3.3Å; A805-F809 PolarHBondContact O-N 3.48Å; A805-F809 VanDerWaalsContact O-N 3.14Å |
| 806 | I | 89 | Confident | 80.7 | Confident | 15 Ų | 15 | 38.4 Ų | 38.4 | 8% | 0.077 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.3 | -49.6 | 173 | -70.5 | 164.2 | 0 | 0 | 0 | 111 | M169 A528 T530 R802 Q803 L808 F809 I810 | M169-I806 HydrophobicContact CE-CD1 4.16Å; M169-I806 HydrophobicContact CE-CG1 3.68Å; M169-I806 HydrophobicContact SD-CG1 4.2Å; A528-I806 HydrophobicContact CB-CG2 4.25Å; T530-I806 HydrophobicContact CG2-CD1 4.19Å; R802-I806 HydrophobicContact CG-CD1 4.28Å; R802-I806 VanDerWaalsContact O-CG1 3.3Å; R802-I806 WeakPolarHBondContact O-CG1 3.43Å; R802-I806 PolarHBondContact O-N 3.12Å; Q803-I806 WeakPolarHBondContact O-CB 3.45Å; Q803-I806 PolarHBondContact O-N 3.44Å; Q803-I806 VanDerWaalsContact O-N 3.15Å; I806-L808 VanDerWaalsContact C-N 3.28Å; I806-L808 PolarHBondContact O-N 3.15Å; I806-F809 PolarHBondContact O-N 2.94Å; I806-I810 HydrophobicContact CG2-CD1 3.69Å; I806-I810 WeakPolarHBondContact O-CD1 3.45Å; I806-I810 WeakPolarHBondContact O-CG1 3.2Å; I806-I810 PolarHBondContact O-N 3.3Å |
| 807 | D | 89.8 | Confident | 81 | Confident | 6 Ų | 6 | 38.1 Ų | 38.1 | 3% | 0.032 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57 | -43 | 179 | -67.4 | -34.4 | 0 | 0 | 0 | 110.5 | R534 Q803 A804 I810 G811 N812 S815 L818 | R534-D807 IonicContact CZ-OD1 2.69Å; R534-D807 IonicContact NE-OD1 3.61Å; R534-D807 VanDerWaalsContact NH2-CG 3.29Å; R534-D807 IonicContact NH2-OD1 3.94Å; R534-D807 PolarHBondContact NH2-OD1 2.89Å; R534-D807 IonicContact NH2-OD2 2.81Å; R534-D807 PolarHBondContact NH2-OD2 3.4Å; Q803-D807 PolarHBondContact NE2-OD1 3.26Å; Q803-D807 WeakPolarHBondContact O-CB 3.43Å; Q803-D807 PolarHBondContact O-N 3.47Å; A804-D807 PolarHBondContact O-N 2.88Å; D807-I810 PolarHBondContact O-N 3.28Å; D807-G811 PolarHBondContact O-N 2.87Å; D807-G811 VanDerWaalsContact O-N 3.1Å; D807-N812 HydrophobicContact CB-CB 4.07Å; D807-N812 WeakPolarHBondContact O-CB 3.41Å; D807-N812 PolarHBondContact O-N 3.28Å; D807-S815 WeakPolarHBondContact OD2-CB 3.33Å; D807-S815 PolarHBondContact OD2-OG 2.86Å; D807-L818 HydrophobicContact CB-CD1 4.37Å |
| 808 | L | 87.9 | Confident | 81.5 | Confident | 9 Ų | 9 | 35.4 Ų | 35.4 | 5% | 0.047 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.9 | -39.5 | -179.6 | -162.9 | 74.4 | 0 | 0 | 0 | 113.3 | I55 Y57 I162 A804 I806 I810 G811 L818 | I55-L808 HydrophobicContact CD1-CB 4.42Å; I55-L808 HydrophobicContact CD1-CD2 3.81Å; I55-L808 HydrophobicContact CD1-CG 3.85Å; I55-L808 HydrophobicContact CG1-CD2 4.01Å; I55-L808 HydrophobicContact CG1-CG 4.02Å; Y57-L808 HydrophobicContact CD1-CD2 3.8Å; Y57-L808 HydrophobicContact CE1-CD2 4.47Å; I162-L808 HydrophobicContact CG2-CD2 4.08Å; A804-L808 VanDerWaalsContact O-CB 3.29Å; A804-L808 WeakPolarHBondContact O-CB 3.49Å; A804-L808 PolarHBondContact O-N 3.42Å; I806-L808 VanDerWaalsContact C-N 3.28Å; I806-L808 PolarHBondContact O-N 3.15Å; L808-I810 PolarHBondContact O-N 2.78Å; L808-G811 PolarHBondContact O-N 3.32Å; L808-L818 HydrophobicContact CB-CD1 4.25Å; L808-L818 HydrophobicContact CB-CD2 4.27Å; L808-L818 HydrophobicContact CD1-CD1 3.83Å; L808-L818 HydrophobicContact CD1-CD2 4.16Å |
| 809 | F | 88.5 | Confident | 81.5 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.009 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.7 | -31.9 | 173.7 | -90 | -43.9 | 0 | 0 | 0 | 112.5 | I55 L166 M169 L170 W246 L250 A805 I806 | I55-F809 HydrophobicContact CD1-CD1 3.86Å; I55-F809 HydrophobicContact CD1-CE1 4.31Å; L166-F809 HydrophobicContact CB-CE2 3.97Å; L166-F809 HydrophobicContact CB-CZ 3.73Å; L166-F809 HydrophobicContact CD2-CD1 3.99Å; L166-F809 HydrophobicContact CD2-CD2 3.33Å; L166-F809 HydrophobicContact CD2-CE1 3.84Å; L166-F809 HydrophobicContact CD2-CE2 3.2Å; L166-F809 HydrophobicContact CD2-CG 3.75Å; L166-F809 HydrophobicContact CD2-CZ 3.46Å; L166-F809 VanDerWaalsContact CD2-CZ 3.46Å; L166-F809 HydrophobicContact CG-CE2 4.14Å; L166-F809 HydrophobicContact CG-CZ 4.09Å; M169-F809 HydrophobicContact SD-CD2 4.31Å; M169-F809 HydrophobicContact SD-CE2 4.16Å; L170-F809 HydrophobicContact CD1-CE1 4.31Å; L170-F809 HydrophobicContact CD1-CZ 3.68Å; L170-F809 HydrophobicContact CG-CZ 4.03Å; W246-F809 HydrophobicContact CH2-CB 4.34Å; W246-F809 AromaticContact CH2-CD1 3.72Å; W246-F809 HydrophobicContact CH2-CD1 3.72Å; W246-F809 AromaticContact CH2-CD2 3.93Å; W246-F809 HydrophobicContact CH2-CD2 3.93Å; W246-F809 AromaticContact CH2-CE1 3.83Å; W246-F809 HydrophobicContact CH2-CE1 3.83Å; W246-F809 AromaticContact CH2-CE2 4Å; W246-F809 HydrophobicContact CH2-CE2 4Å; W246-F809 AromaticContact CH2-CG 3.78Å; W246-F809 HydrophobicContact CH2-CG 3.78Å; W246-F809 AromaticContact CH2-CZ 3.96Å; W246-F809 HydrophobicContact CH2-CZ 3.96Å; W246-F809 HydrophobicContact CZ2-CB 3.68Å; W246-F809 AromaticContact CZ2-CD1 3.91Å; W246-F809 HydrophobicContact CZ2-CD1 3.91Å; W246-F809 AromaticContact CZ2-CD2 3.49Å; W246-F809 HydrophobicContact CZ2-CD2 3.49Å; W246-F809 VanDerWaalsContact CZ2-CD2 3.49Å; W246-F809 HydrophobicContact CZ2-CE1 4.34Å; W246-F809 AromaticContact CZ2-CE2 3.92Å; W246-F809 HydrophobicContact CZ2-CE2 3.92Å; W246-F809 AromaticContact CZ2-CG 3.46Å; W246-F809 HydrophobicContact CZ2-CG 3.46Å; W246-F809 VanDerWaalsContact CZ2-CG 3.46Å; W246-F809 HydrophobicContact CZ2-CZ 4.34Å; L250-F809 HydrophobicContact CD1-CD1 3.95Å; A805-F809 PolarHBondContact O-N 3.48Å; A805-F809 VanDerWaalsContact O-N 3.14Å; I806-F809 PolarHBondContact O-N 2.94Å |
| 810 | I | 87.5 | Confident | 81.3 | Confident | 53 Ų | 53 | 35.8 Ų | 35.8 | 27% | 0.272 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -88.7 | -9.1 | -177.7 | -63 | 166.1 | 0 | 0 | 0 | 111.8 | A528 I806 D807 L808 | A528-I810 HydrophobicContact CB-CD1 3.86Å; I806-I810 HydrophobicContact CG2-CD1 3.69Å; I806-I810 WeakPolarHBondContact O-CD1 3.45Å; I806-I810 WeakPolarHBondContact O-CG1 3.2Å; I806-I810 PolarHBondContact O-N 3.3Å; D807-I810 PolarHBondContact O-N 3.28Å; L808-I810 PolarHBondContact O-N 2.78Å |
| 811 | G | 85.3 | Confident | 81 | Confident | 23 Ų | 23 | 36 Ų | 36 | 24% | 0.237 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | 14.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | H249 D807 L808 E813 | H249-G811 WeakPolarHBondContact CD2-CA 3.25Å; H249-G811 VanDerWaalsContact NE2-CA 3.33Å; H249-G811 WeakPolarHBondContact NE2-CA 3.28Å; D807-G811 PolarHBondContact O-N 2.87Å; D807-G811 VanDerWaalsContact O-N 3.1Å; L808-G811 PolarHBondContact O-N 3.32Å; G811-E813 PolarHBondContact O-N 3.22Å |
| 812 | N | 84.2 | Confident | 80.4 | Confident | 70 Ų | 70 | 37.6 Ų | 37.6 | 37% | 0.374 | 20% | 0.199 | S | C | . | . | trans | -82.9 | 62.2 | 177.5 | -177 | 23.5 | 0 | 0 | 0 | 111.2 | D807 Q814 S815 L818 | D807-N812 HydrophobicContact CB-CB 4.07Å; D807-N812 WeakPolarHBondContact O-CB 3.41Å; D807-N812 PolarHBondContact O-N 3.28Å; N812-Q814 PolarHBondContact O-N 2.79Å; N812-Q814 VanDerWaalsContact O-N 3.12Å; N812-S815 WeakPolarHBondContact O-CB 3.47Å; N812-S815 PolarHBondContact O-N 2.81Å; N812-S815 VanDerWaalsContact O-N 3.11Å; N812-L818 WeakPolarHBondContact O-CD1 3.45Å | ||
| 813 | E | 75.4 | Confident | 79.5 | Confident | 125 Ų | 125 | 40.2 Ų | 40.2 | 58% | 0.584 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -26.5 | -174.6 | -62.1 | -169.4 | 156.5 | 0 | 0 | 113.8 | G811 S815 | G811-E813 PolarHBondContact O-N 3.22Å; E813-S815 VanDerWaalsContact C-N 3.27Å; E813-S815 PolarHBondContact O-N 2.69Å |
| 814 | Q | 72.1 | Confident | 78 | Confident | 172 Ų | 172 | 42.3 Ų | 42.3 | 80% | 0.804 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | 10.5 | -179.2 | -60.3 | -175.6 | 1 | 0 | 0 | 113.9 | N812 | N812-Q814 PolarHBondContact O-N 2.79Å; N812-Q814 VanDerWaalsContact O-N 3.12Å |
| 815 | S | 78 | Confident | 76.5 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | trans | -57.7 | 136.3 | -178.6 | 152.3 | 0 | 0 | 0 | 0 | 112.8 | D807 N812 E813 E817 L818 I819 | D807-S815 WeakPolarHBondContact OD2-CB 3.33Å; D807-S815 PolarHBondContact OD2-OG 2.86Å; N812-S815 WeakPolarHBondContact O-CB 3.47Å; N812-S815 PolarHBondContact O-N 2.81Å; N812-S815 VanDerWaalsContact O-N 3.11Å; E813-S815 VanDerWaalsContact C-N 3.27Å; E813-S815 PolarHBondContact O-N 2.69Å; S815-E817 PolarHBondContact O-N 3.34Å; S815-E817 PolarHBondContact OG-N 2.86Å; S815-E817 VanDerWaalsContact OG-N 3.15Å; S815-L818 WeakPolarHBondContact O-CB 3.44Å; S815-L818 PolarHBondContact O-N 3.01Å; S815-L818 VanDerWaalsContact O-N 3.12Å; S815-L818 PolarHBondContact OG-N 2.9Å; S815-I819 WeakPolarHBondContact O-CG1 3.43Å; S815-I819 PolarHBondContact O-N 3.46Å | ||
| 816 | P | 75 | Confident | 74.5 | Confident | 82 Ų | 82 | 44.3 Ų | 44.3 | 53% | 0.532 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.1 | -26.6 | 176.9 | 28.4 | -33.9 | 0 | 0 | 0 | 111.8 | M820 | P816-M820 WeakPolarHBondContact O-CB 3.35Å; P816-M820 PolarHBondContact O-N 3.35Å |
| 817 | E | 79.6 | Confident | 72.5 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.9 | -41.1 | 172 | -76.4 | 75.9 | -149 | 0 | 0 | 112.1 | R533 R534 Q803 A804 S815 L821 | R533-E817 VanDerWaalsContact CD-OE1 3.3Å; R533-E817 WeakPolarHBondContact CD-OE1 3.4Å; R533-E817 IonicContact CZ-OE1 2.71Å; R533-E817 IonicContact NE-OE1 3.66Å; R533-E817 IonicContact NH1-OE1 3.8Å; R533-E817 PolarHBondContact NH1-OE1 2.86Å; R534-E817 IonicContact CZ-OE2 3.13Å; R534-E817 IonicContact NH1-OE1 2.8Å; R534-E817 IonicContact NH1-OE2 3.66Å; R534-E817 PolarHBondContact NH1-OE2 2.83Å; R534-E817 IonicContact NH2-OE2 3.59Å; R534-E817 PolarHBondContact NH2-OE2 2.85Å; Q803-E817 HydrophobicContact CB-CG 4.09Å; Q803-E817 HydrophobicContact CG-CB 4.49Å; Q803-E817 HydrophobicContact CG-CG 3.98Å; A804-E817 HydrophobicContact CB-CB 4.12Å; S815-E817 PolarHBondContact O-N 3.34Å; S815-E817 PolarHBondContact OG-N 2.86Å; S815-E817 VanDerWaalsContact OG-N 3.15Å; E817-L821 WeakPolarHBondContact O-CD1 3.44Å; E817-L821 WeakPolarHBondContact O-CG 3.43Å; E817-L821 PolarHBondContact O-N 3.5Å; E817-L821 VanDerWaalsContact O-N 3.17Å |
| 818 | L | 75.9 | Confident | 70.3 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64 | -52 | 173.7 | -78.2 | 169.8 | 0 | 0 | 0 | 111.4 | Y158 A804 D807 L808 N812 S815 M820 L821 C822 | Y158-L818 VanDerWaalsContact OH-CD2 3.31Å; Y158-L818 WeakPolarHBondContact OH-CD2 3.16Å; A804-L818 HydrophobicContact CB-CD2 3.83Å; A804-L818 HydrophobicContact CB-CG 4.03Å; D807-L818 HydrophobicContact CB-CD1 4.37Å; L808-L818 HydrophobicContact CB-CD1 4.25Å; L808-L818 HydrophobicContact CB-CD2 4.27Å; L808-L818 HydrophobicContact CD1-CD1 3.83Å; L808-L818 HydrophobicContact CD1-CD2 4.16Å; N812-L818 WeakPolarHBondContact O-CD1 3.45Å; S815-L818 WeakPolarHBondContact O-CB 3.44Å; S815-L818 PolarHBondContact O-N 3.01Å; S815-L818 VanDerWaalsContact O-N 3.12Å; S815-L818 PolarHBondContact OG-N 2.9Å; L818-M820 VanDerWaalsContact C-N 3.3Å; L818-M820 PolarHBondContact O-N 2.83Å; L818-L821 PolarHBondContact O-N 2.82Å; L818-C822 PolarHBondContact O-N 3.47Å; L818-C822 PolarHBondContact O-SG 3.11Å; L818-C822 VanDerWaalsContact O-SG 3.4Å |
| 819 | I | 72.8 | Confident | 68.3 | Low | 87 Ų | 87 | 55.3 Ų | 55.3 | 45% | 0.446 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.3 | -44.6 | 179.8 | -64.8 | 165.5 | 0 | 0 | 0 | 111 | S815 L821 C822 N823 | S815-I819 WeakPolarHBondContact O-CG1 3.43Å; S815-I819 PolarHBondContact O-N 3.46Å; I819-L821 VanDerWaalsContact C-N 3.32Å; I819-L821 PolarHBondContact O-N 3.17Å; I819-C822 PolarHBondContact O-N 2.86Å; I819-N823 WeakPolarHBondContact O-CB 3.35Å; I819-N823 VanDerWaalsContact O-CG 3.25Å; I819-N823 PolarHBondContact O-N 3.41Å |
| 820 | M | 68.5 | Low | 66 | Low | 22 Ų | 22 | 55.8 Ų | 55.8 | 11% | 0.108 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.1 | -30.4 | 179 | -173.4 | 173.4 | 62.7 | 0 | 0 | 113.4 | I800 P816 L818 S825 G826 S829 | I800-M820 HydrophobicContact CB-CE 4.33Å; I800-M820 HydrophobicContact CD1-CE 3.58Å; I800-M820 HydrophobicContact CG1-CE 3.74Å; I800-M820 HydrophobicContact CG2-CE 3.6Å; P816-M820 WeakPolarHBondContact O-CB 3.35Å; P816-M820 PolarHBondContact O-N 3.35Å; L818-M820 VanDerWaalsContact C-N 3.3Å; L818-M820 PolarHBondContact O-N 2.83Å; M820-S825 WeakPolarHBondContact CG-OG 3.33Å; M820-S825 PolarHBondContact O-N 2.88Å; M820-S825 PolarHBondContact O-OG 2.9Å; M820-G826 PolarHBondContact O-N 3.01Å; M820-S829 WeakPolarHBondContact CG-OG 3.31Å; M820-S829 VanDerWaalsContact SD-CB 3.51Å; M820-S829 PolarHBondContact SD-OG 2.83Å |
| 821 | L | 69.1 | Low | 64.1 | Low | 10 Ų | 10 | 55.5 Ų | 55.5 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -78.6 | -41.5 | 173.4 | -76.2 | 163.8 | 0 | 0 | 0 | 112.6 | Y158 I162 I800 A804 E817 L818 I819 N823 G824 | Y158-L821 HydrophobicContact CD2-CB 3.75Å; Y158-L821 HydrophobicContact CE2-CB 3.63Å; Y158-L821 HydrophobicContact CE2-CD1 4.49Å; I162-L821 HydrophobicContact CD1-CD1 4.3Å; I800-L821 HydrophobicContact CG2-CD1 3.97Å; I800-L821 HydrophobicContact CG2-CD2 4.01Å; I800-L821 HydrophobicContact CG2-CG 3.82Å; A804-L821 HydrophobicContact CB-CD1 3.32Å; E817-L821 WeakPolarHBondContact O-CD1 3.44Å; E817-L821 WeakPolarHBondContact O-CG 3.43Å; E817-L821 PolarHBondContact O-N 3.5Å; E817-L821 VanDerWaalsContact O-N 3.17Å; L818-L821 PolarHBondContact O-N 2.82Å; I819-L821 VanDerWaalsContact C-N 3.32Å; I819-L821 PolarHBondContact O-N 3.17Å; L821-N823 VanDerWaalsContact C-N 3.32Å; L821-N823 PolarHBondContact O-N 2.86Å; L821-G824 WeakPolarHBondContact O-CA 3.44Å; L821-G824 PolarHBondContact O-N 2.82Å |
| 822 | C | 66.9 | Low | 62.4 | Low | 54 Ų | 54 | 56.4 Ų | 56.4 | 37% | 0.365 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.2 | -40.8 | 175.2 | -70.6 | 0 | 0 | 0 | 0 | 112 | L818 I819 G824 | L818-C822 PolarHBondContact O-N 3.47Å; L818-C822 PolarHBondContact O-SG 3.11Å; L818-C822 VanDerWaalsContact O-SG 3.4Å; I819-C822 PolarHBondContact O-N 2.86Å; C822-G824 PolarHBondContact O-N 3.5Å; C822-G824 VanDerWaalsContact O-N 3.07Å |
| 823 | N | 64.5 | Low | 60.9 | Low | 98 Ų | 98 | 56.2 Ų | 56.2 | 52% | 0.524 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 2.2 | 173.6 | -66.5 | -10.3 | 0 | 0 | 0 | 113 | I819 L821 S825 | I819-N823 WeakPolarHBondContact O-CB 3.35Å; I819-N823 VanDerWaalsContact O-CG 3.25Å; I819-N823 PolarHBondContact O-N 3.41Å; L821-N823 VanDerWaalsContact C-N 3.32Å; L821-N823 PolarHBondContact O-N 2.86Å; N823-S825 VanDerWaalsContact C-N 3.26Å; N823-S825 PolarHBondContact O-N 2.85Å |
| 824 | G | 54.7 | Low | 59.7 | Low | 45 Ų | 45 | 51 Ų | 51 | 46% | 0.464 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 2.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L821 C822 | L821-G824 WeakPolarHBondContact O-CA 3.44Å; L821-G824 PolarHBondContact O-N 2.82Å; C822-G824 PolarHBondContact O-N 3.5Å; C822-G824 VanDerWaalsContact O-N 3.07Å |
| 825 | S | 53.3 | Low | 58.8 | Low | 37 Ų | 37 | 47 Ų | 47 | 26% | 0.259 | 26% | 0.264 | S | S | . | . | trans | -90.9 | -17.7 | -170.1 | 67.9 | 0 | 0 | 0 | 0 | 114.4 | M820 N823 L827 E828 S829 | M820-S825 WeakPolarHBondContact CG-OG 3.33Å; M820-S825 PolarHBondContact O-N 2.88Å; M820-S825 PolarHBondContact O-OG 2.9Å; N823-S825 VanDerWaalsContact C-N 3.26Å; N823-S825 PolarHBondContact O-N 2.85Å; S825-L827 PolarHBondContact O-N 2.88Å; S825-E828 PolarHBondContact O-N 2.84Å; S825-S829 WeakPolarHBondContact O-CB 3.46Å; S825-S829 PolarHBondContact O-N 3.41Å; S825-S829 PolarHBondContact O-OG 3.14Å | ||
| 826 | G | 47.5 | Very low | 57.9 | Low | 4 Ų | 4 | 48.4 Ų | 48.4 | 4% | 0.041 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 11.5 | -167.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | M820 S829 | M820-G826 PolarHBondContact O-N 3.01Å; G826-S829 VanDerWaalsContact CA-OG 3.25Å; G826-S829 WeakPolarHBondContact CA-OG 3.24Å |
| 827 | L | 45.8 | Very low | 57.2 | Low | 111 Ų | 111 | 47.6 Ų | 47.6 | 58% | 0.581 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.1 | -27.9 | 165 | -145.1 | 82.6 | 0 | 0 | 0 | 112.9 | S825 S830 | S825-L827 PolarHBondContact O-N 2.88Å; L827-S830 PolarHBondContact O-OG 3.22Å |
| 828 | E | 44.4 | Very low | 56.3 | Low | 142 Ų | 142 | 53.1 Ų | 53.1 | 66% | 0.664 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -37.6 | 168.7 | -71.1 | 168.7 | 178.5 | 0 | 0 | 109.5 | S825 S830 S831 L832 | S825-E828 PolarHBondContact O-N 2.84Å; E828-S830 PolarHBondContact O-N 3.36Å; E828-S831 CarbonylContact O-C 3.6Å; E828-S831 WeakPolarHBondContact O-CA 3.28Å; E828-S831 WeakPolarHBondContact O-CB 3.37Å; E828-S831 PolarHBondContact O-N 2.97Å; E828-S831 PolarHBondContact O-OG 2.89Å; E828-L832 WeakPolarHBondContact O-CG 3.39Å; E828-L832 PolarHBondContact O-N 3.4Å |
| 829 | S | 44.7 | Very low | 55.6 | Low | 9 Ų | 9 | 52.9 Ų | 52.9 | 6% | 0.063 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.3 | -35.5 | -179.9 | 65.4 | 0 | 0 | 0 | 0 | 114.3 | M820 S825 G826 S831 L832 Q833 | M820-S829 WeakPolarHBondContact CG-OG 3.31Å; M820-S829 VanDerWaalsContact SD-CB 3.51Å; M820-S829 PolarHBondContact SD-OG 2.83Å; S825-S829 WeakPolarHBondContact O-CB 3.46Å; S825-S829 PolarHBondContact O-N 3.41Å; S825-S829 PolarHBondContact O-OG 3.14Å; G826-S829 VanDerWaalsContact CA-OG 3.25Å; G826-S829 WeakPolarHBondContact CA-OG 3.24Å; S829-S831 VanDerWaalsContact C-N 3.28Å; S829-S831 PolarHBondContact O-N 2.93Å; S829-L832 CarbonylContact O-C 3.49Å; S829-L832 PolarHBondContact O-N 3.47Å; S829-L832 VanDerWaalsContact O-N 3.13Å; S829-Q833 WeakPolarHBondContact O-CB 3.31Å; S829-Q833 WeakPolarHBondContact O-CG 3.2Å; S829-Q833 PolarHBondContact O-N 3.06Å |
| 830 | S | 40.6 | Very low | 55.3 | Low | 12 Ų | 12 | 53.1 Ų | 53.1 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.1 | -32.4 | 171.9 | 21.7 | 0 | 0 | 0 | 0 | 112 | L582 L827 E828 V834 | L582-S830 WeakPolarHBondContact CD1-O 3.38Å; L827-S830 PolarHBondContact O-OG 3.22Å; E828-S830 PolarHBondContact O-N 3.36Å; S830-V834 PolarHBondContact O-N 3.4Å |
| 831 | S | 48.2 | Very low | 55.1 | Low | 46 Ų | 46 | 58.2 Ų | 58.2 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -77.3 | -21.6 | 171.8 | 90.7 | 0 | 0 | 0 | 0 | 113.2 | E828 S829 R835 | E828-S831 CarbonylContact O-C 3.6Å; E828-S831 WeakPolarHBondContact O-CA 3.28Å; E828-S831 WeakPolarHBondContact O-CB 3.37Å; E828-S831 PolarHBondContact O-N 2.97Å; E828-S831 PolarHBondContact O-OG 2.89Å; S829-S831 VanDerWaalsContact C-N 3.28Å; S829-S831 PolarHBondContact O-N 2.93Å; S831-R835 WeakPolarHBondContact O-CB 3.42Å; S831-R835 VanDerWaalsContact O-CG 3.26Å; S831-R835 WeakPolarHBondContact O-CG 3.38Å; S831-R835 PolarHBondContact O-N 3.4Å; S831-R835 PolarHBondContact O-NH1 3.4Å; S831-R835 PolarHBondContact OG-NH1 3.34Å; S831-R835 VanDerWaalsContact OG-NH1 3.11Å |
| 832 | L | 49.9 | Very low | 54.9 | Low | 43 Ų | 43 | 60.1 Ų | 60.1 | 23% | 0.225 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -80 | -46.9 | 172.6 | -67.9 | 174.4 | 0 | 0 | 0 | 111 | E828 S829 V834 R835 E836 T1079 | E828-L832 WeakPolarHBondContact O-CG 3.39Å; E828-L832 PolarHBondContact O-N 3.4Å; S829-L832 CarbonylContact O-C 3.49Å; S829-L832 PolarHBondContact O-N 3.47Å; S829-L832 VanDerWaalsContact O-N 3.13Å; L832-V834 VanDerWaalsContact C-N 3.28Å; L832-V834 PolarHBondContact O-N 2.85Å; L832-R835 CarbonylContact O-C 3.51Å; L832-R835 WeakPolarHBondContact O-CA 3.17Å; L832-R835 WeakPolarHBondContact O-CB 3.36Å; L832-R835 PolarHBondContact O-N 2.92Å; L832-E836 WeakPolarHBondContact O-CB 3.45Å; L832-E836 PolarHBondContact O-N 3.08Å; L832-T1079 HydrophobicContact CD2-CG2 3.69Å |
| 833 | Q | 51.4 | Low | 55.1 | Low | 66 Ų | 66 | 57.8 Ų | 57.8 | 31% | 0.308 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -53.1 | -43.6 | 176.4 | -78.3 | 174.3 | -10.9 | 0 | 0 | 111.7 | S829 E836 E837 | S829-Q833 WeakPolarHBondContact O-CB 3.31Å; S829-Q833 WeakPolarHBondContact O-CG 3.2Å; S829-Q833 PolarHBondContact O-N 3.06Å; Q833-E836 WeakPolarHBondContact O-CB 3.33Å; Q833-E836 PolarHBondContact O-N 2.96Å; Q833-E837 WeakPolarHBondContact O-CG 3.47Å; Q833-E837 PolarHBondContact O-N 3.38Å |
| 834 | V | 50.1 | Low | 55.4 | Low | 14 Ų | 14 | 54.1 Ų | 54.1 | 9% | 0.085 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -80.8 | -21.8 | 178 | 173.4 | 0 | 0 | 0 | 0 | 113.6 | L582 S830 L832 R838 | L582-V834 HydrophobicContact CB-CG1 4.44Å; L582-V834 HydrophobicContact CB-CG2 3.8Å; L582-V834 HydrophobicContact CD1-CB 4.35Å; L582-V834 HydrophobicContact CD1-CG2 3.83Å; L582-V834 HydrophobicContact CG-CG2 3.62Å; S830-V834 PolarHBondContact O-N 3.4Å; L832-V834 VanDerWaalsContact C-N 3.28Å; L832-V834 PolarHBondContact O-N 2.85Å; V834-R838 WeakPolarHBondContact O-CB 3.43Å; V834-R838 WeakPolarHBondContact O-CD 3.3Å; V834-R838 WeakPolarHBondContact O-CG 3.27Å; V834-R838 PolarHBondContact O-N 3.3Å |
| 835 | R | 53.6 | Low | 55.9 | Low | 88 Ų | 88 | 58.6 Ų | 58.6 | 33% | 0.332 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.4 | -38.6 | 163.7 | -80.4 | 177.1 | 175.6 | 104.8 | -13.3 | 110.8 | S831 L832 R838 I839 L1086 | S831-R835 WeakPolarHBondContact O-CB 3.42Å; S831-R835 VanDerWaalsContact O-CG 3.26Å; S831-R835 WeakPolarHBondContact O-CG 3.38Å; S831-R835 PolarHBondContact O-N 3.4Å; S831-R835 PolarHBondContact O-NH1 3.4Å; S831-R835 PolarHBondContact OG-NH1 3.34Å; S831-R835 VanDerWaalsContact OG-NH1 3.11Å; L832-R835 CarbonylContact O-C 3.51Å; L832-R835 WeakPolarHBondContact O-CA 3.17Å; L832-R835 WeakPolarHBondContact O-CB 3.36Å; L832-R835 PolarHBondContact O-N 2.92Å; R835-R838 PolarHBondContact O-N 3.33Å; R835-I839 WeakPolarHBondContact O-CB 3.42Å; R835-I839 WeakPolarHBondContact O-CD1 3.12Å; R835-I839 WeakPolarHBondContact O-CG1 3.36Å; R835-I839 PolarHBondContact O-N 2.83Å; R835-L1086 HydrophobicContact CB-CD1 4.17Å |
| 836 | E | 59.9 | Low | 56.8 | Low | 32 Ų | 32 | 57.5 Ų | 57.5 | 15% | 0.15 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.9 | -48.6 | 179.9 | -169 | -177.7 | 164.7 | 0 | 0 | 111.6 | L832 Q833 R838 I839 K840 L1086 | L832-E836 WeakPolarHBondContact O-CB 3.45Å; L832-E836 PolarHBondContact O-N 3.08Å; Q833-E836 WeakPolarHBondContact O-CB 3.33Å; Q833-E836 PolarHBondContact O-N 2.96Å; E836-R838 VanDerWaalsContact C-N 3.32Å; E836-R838 PolarHBondContact O-N 2.87Å; E836-I839 PolarHBondContact O-N 3.13Å; E836-K840 HydrophobicContact CG-CD 4.17Å; E836-K840 VanDerWaalsContact O-CB 3.32Å; E836-K840 WeakPolarHBondContact O-CB 3.47Å; E836-K840 VanDerWaalsContact O-CG 3.29Å; E836-K840 WeakPolarHBondContact O-CG 3.46Å; E836-K840 PolarHBondContact O-N 3.37Å; E836-K840 WeakPolarHBondContact OE1-CE 3.48Å; E836-K840 IonicContact OE1-NZ 3.55Å; E836-K840 PolarHBondContact OE1-NZ 3.04Å; E836-L1086 HydrophobicContact CB-CD1 3.86Å; E836-L1086 HydrophobicContact CB-CG 4.19Å; E836-L1086 HydrophobicContact CG-CB 4.44Å; E836-L1086 HydrophobicContact CG-CD1 4.4Å; E836-L1086 HydrophobicContact CG-CG 4.18Å |
| 837 | E | 59.2 | Low | 58.1 | Low | 64 Ų | 64 | 59.2 Ų | 59.2 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -52.7 | -49.5 | 170.9 | -77 | 178.1 | 173.6 | 0 | 0 | 110.9 | T580 S581 Q833 L841 | T580-E837 PolarHBondContact OG1-OE1 3.5Å; S581-E837 WeakPolarHBondContact CB-OE2 3.3Å; S581-E837 PolarHBondContact OG-OE2 3.06Å; Q833-E837 WeakPolarHBondContact O-CG 3.47Å; Q833-E837 PolarHBondContact O-N 3.38Å; E837-L841 VanDerWaalsContact O-CB 3.28Å; E837-L841 WeakPolarHBondContact O-CB 3.36Å; E837-L841 PolarHBondContact O-N 3.02Å |
| 838 | R | 60.5 | Low | 59.5 | Low | 125 Ų | 125 | 61.3 Ų | 61.3 | 47% | 0.472 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.2 | -40 | -179.9 | -72.7 | 173.9 | -176.6 | -158.1 | -0.4 | 112.9 | V834 R835 E836 L842 | V834-R838 WeakPolarHBondContact O-CB 3.43Å; V834-R838 WeakPolarHBondContact O-CD 3.3Å; V834-R838 WeakPolarHBondContact O-CG 3.27Å; V834-R838 PolarHBondContact O-N 3.3Å; R835-R838 PolarHBondContact O-N 3.33Å; E836-R838 VanDerWaalsContact C-N 3.32Å; E836-R838 PolarHBondContact O-N 2.87Å; R838-L842 WeakPolarHBondContact O-CB 3.46Å; R838-L842 PolarHBondContact O-N 3.17Å |
| 839 | I | 61.9 | Low | 60.8 | Low | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.9 | -40.3 | 179.3 | -75.5 | 166.5 | 0 | 0 | 0 | 110.4 | R835 E836 I843 L862 F894 L1081 L1086 | R835-I839 WeakPolarHBondContact O-CB 3.42Å; R835-I839 WeakPolarHBondContact O-CD1 3.12Å; R835-I839 WeakPolarHBondContact O-CG1 3.36Å; R835-I839 PolarHBondContact O-N 2.83Å; E836-I839 PolarHBondContact O-N 3.13Å; I839-I843 HydrophobicContact CG2-CD1 3.58Å; I839-I843 HydrophobicContact CG2-CG1 4.4Å; I839-I843 VanDerWaalsContact O-CB 3.28Å; I839-I843 WeakPolarHBondContact O-CB 3.44Å; I839-I843 WeakPolarHBondContact O-CD1 3.38Å; I839-I843 WeakPolarHBondContact O-CG1 3.44Å; I839-I843 PolarHBondContact O-N 2.91Å; I839-L862 HydrophobicContact CD1-CD1 4.16Å; I839-F894 HydrophobicContact CG1-CZ 4.18Å; I839-L1081 HydrophobicContact CG2-CD2 4.19Å; I839-L1086 HydrophobicContact CD1-CD1 4.11Å |
| 840 | K | 65.8 | Low | 62.2 | Low | 92 Ų | 92 | 59.4 Ų | 59.4 | 40% | 0.4 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60 | -49.4 | 172.3 | -76 | 173.8 | -179.5 | 169.1 | 0 | 111.9 | E836 I843 G844 K1084 | E836-K840 HydrophobicContact CG-CD 4.17Å; E836-K840 VanDerWaalsContact O-CB 3.32Å; E836-K840 WeakPolarHBondContact O-CB 3.47Å; E836-K840 VanDerWaalsContact O-CG 3.29Å; E836-K840 WeakPolarHBondContact O-CG 3.46Å; E836-K840 PolarHBondContact O-N 3.37Å; E836-K840 WeakPolarHBondContact OE1-CE 3.48Å; E836-K840 IonicContact OE1-NZ 3.55Å; E836-K840 PolarHBondContact OE1-NZ 3.04Å; K840-I843 PolarHBondContact O-N 3.26Å; K840-G844 PolarHBondContact O-N 3.48Å; K840-K1084 WeakPolarHBondContact CE-O 3.45Å |
| 841 | L | 65 | Low | 64.1 | Low | 129 Ų | 129 | 60.5 Ų | 60.5 | 68% | 0.675 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -68.4 | -38.4 | -178.1 | -164.5 | 155.6 | 0 | 0 | 0 | 111.5 | E837 R845 | E837-L841 VanDerWaalsContact O-CB 3.28Å; E837-L841 WeakPolarHBondContact O-CB 3.36Å; E837-L841 PolarHBondContact O-N 3.02Å; L841-R845 WeakPolarHBondContact O-CB 3.33Å; L841-R845 PolarHBondContact O-N 3.49Å; L841-R845 VanDerWaalsContact O-N 3.09Å |
| 842 | L | 65.5 | Low | 65.5 | Low | 50 Ų | 50 | 62.6 Ų | 62.6 | 26% | 0.262 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 170.6 | -178 | 66.9 | 0 | 0 | 0 | 111.8 | R838 R845 C846 V879 T892 | R838-L842 WeakPolarHBondContact O-CB 3.46Å; R838-L842 PolarHBondContact O-N 3.17Å; L842-R845 PolarHBondContact O-N 3.32Å; L842-C846 VanDerWaalsContact O-CB 3.26Å; L842-C846 WeakPolarHBondContact O-CB 3.47Å; L842-C846 PolarHBondContact O-N 2.96Å; L842-C846 PolarHBondContact O-SG 3.44Å; L842-V879 HydrophobicContact CD2-CG2 4.48Å; L842-T892 HydrophobicContact CD2-CG2 3.48Å; L842-T892 VanDerWaalsContact CD2-CG2 3.48Å |
| 843 | I | 71.1 | Confident | 66.7 | Low | 4 Ų | 4 | 67.2 Ų | 67.2 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.3 | -43.8 | -179.9 | -74.9 | 167 | 0 | 0 | 0 | 111.3 | I839 K840 C846 Q847 E860 V879 L1081 | I839-I843 HydrophobicContact CG2-CD1 3.58Å; I839-I843 HydrophobicContact CG2-CG1 4.4Å; I839-I843 VanDerWaalsContact O-CB 3.28Å; I839-I843 WeakPolarHBondContact O-CB 3.44Å; I839-I843 WeakPolarHBondContact O-CD1 3.38Å; I839-I843 WeakPolarHBondContact O-CG1 3.44Å; I839-I843 PolarHBondContact O-N 2.91Å; K840-I843 PolarHBondContact O-N 3.26Å; I843-C846 CarbonylContact O-C 3.56Å; I843-C846 PolarHBondContact O-N 3.11Å; I843-Q847 HydrophobicContact CG2-CG 4.31Å; I843-Q847 WeakPolarHBondContact O-CB 3.36Å; I843-Q847 VanDerWaalsContact O-CG 3.24Å; I843-Q847 WeakPolarHBondContact O-CG 3.47Å; I843-Q847 PolarHBondContact O-N 2.9Å; I843-E860 HydrophobicContact CD1-CB 4.32Å; I843-E860 HydrophobicContact CD1-CG 4.26Å; I843-V879 HydrophobicContact CD1-CG1 4.23Å; I843-V879 HydrophobicContact CG1-CG1 3.81Å; I843-L1081 HydrophobicContact CD1-CD2 3.28Å |
| 844 | G | 69.8 | Low | 68.1 | Low | 21 Ų | 21 | 69.1 Ų | 69.1 | 22% | 0.216 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57 | -51.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | K840 C846 Q847 E848 | K840-G844 PolarHBondContact O-N 3.48Å; G844-C846 VanDerWaalsContact C-N 3.29Å; G844-C846 PolarHBondContact O-N 2.86Å; G844-Q847 WeakPolarHBondContact O-CB 3.49Å; G844-Q847 PolarHBondContact O-N 2.87Å; G844-Q847 VanDerWaalsContact O-N 3.09Å; G844-E848 WeakPolarHBondContact O-CG 3.22Å; G844-E848 PolarHBondContact O-N 3.26Å |
| 845 | R | 66.6 | Low | 69.6 | Low | 140 Ų | 140 | 69.3 Ų | 69.3 | 53% | 0.528 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.7 | -29.3 | 178.4 | -165.7 | 173.9 | -179.7 | 121 | -1.7 | 113.6 | L841 L842 L849 | L841-R845 WeakPolarHBondContact O-CB 3.33Å; L841-R845 PolarHBondContact O-N 3.49Å; L841-R845 VanDerWaalsContact O-N 3.09Å; L842-R845 PolarHBondContact O-N 3.32Å; R845-L849 HydrophobicContact CG-CD1 3.85Å; R845-L849 HydrophobicContact CG-CG 4.44Å; R845-L849 VanDerWaalsContact O-CB 3.25Å; R845-L849 WeakPolarHBondContact O-CB 3.34Å; R845-L849 WeakPolarHBondContact O-CG 3.33Å; R845-L849 PolarHBondContact O-N 3.07Å; R845-L849 VanDerWaalsContact O-N 3.09Å |
| 846 | C | 70.4 | Confident | 71 | Confident | 14 Ų | 14 | 71.5 Ų | 71.5 | 10% | 0.095 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -79.6 | -28.1 | 173.6 | -73.3 | 0 | 0 | 0 | 0 | 112.8 | L842 I843 G844 L850 L881 I890 | L842-C846 VanDerWaalsContact O-CB 3.26Å; L842-C846 WeakPolarHBondContact O-CB 3.47Å; L842-C846 PolarHBondContact O-N 2.96Å; L842-C846 PolarHBondContact O-SG 3.44Å; I843-C846 CarbonylContact O-C 3.56Å; I843-C846 PolarHBondContact O-N 3.11Å; G844-C846 VanDerWaalsContact C-N 3.29Å; G844-C846 PolarHBondContact O-N 2.86Å; C846-L850 HydrophobicContact CB-CD1 4.07Å; C846-L850 VanDerWaalsContact O-CB 3.24Å; C846-L850 WeakPolarHBondContact O-CB 3.49Å; C846-L850 PolarHBondContact O-N 3.05Å; C846-L881 HydrophobicContact CB-CD1 4.11Å; C846-I890 HydrophobicContact CB-CD1 3.8Å |
| 847 | Q | 76 | Confident | 72.1 | Confident | 40 Ų | 40 | 73.1 Ų | 73.1 | 19% | 0.187 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.6 | -46 | 168.7 | -74.8 | 166.9 | -18.4 | 0 | 0 | 109.7 | I843 G844 L849 I851 Y857 | I843-Q847 HydrophobicContact CG2-CG 4.31Å; I843-Q847 WeakPolarHBondContact O-CB 3.36Å; I843-Q847 VanDerWaalsContact O-CG 3.24Å; I843-Q847 WeakPolarHBondContact O-CG 3.47Å; I843-Q847 PolarHBondContact O-N 2.9Å; G844-Q847 WeakPolarHBondContact O-CB 3.49Å; G844-Q847 PolarHBondContact O-N 2.87Å; G844-Q847 VanDerWaalsContact O-N 3.09Å; Q847-L849 PolarHBondContact O-N 3.22Å; Q847-I851 HydrophobicContact CB-CD1 4.07Å; Q847-I851 HydrophobicContact CG-CD1 3.86Å; Q847-I851 WeakPolarHBondContact O-CB 3.41Å; Q847-Y857 HydrophobicContact CG-CE2 4.41Å; Q847-Y857 PolarHBondContact NE2-OH 3.06Å; Q847-Y857 VanDerWaalsContact NE2-OH 3.08Å |
| 848 | E | 74.6 | Confident | 73.2 | Confident | 155 Ų | 155 | 73.8 Ų | 73.8 | 72% | 0.724 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62.6 | -35.1 | 176.1 | -69.6 | 161 | -170.6 | 0 | 0 | 114.2 | G844 | G844-E848 WeakPolarHBondContact O-CG 3.22Å; G844-E848 PolarHBondContact O-N 3.26Å |
| 849 | L | 72 | Confident | 74.3 | Confident | 86 Ų | 86 | 68.8 Ų | 68.8 | 45% | 0.45 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -102.4 | -19.6 | -171.6 | -69.6 | 175.6 | 0 | 0 | 0 | 116 | R845 Q847 | R845-L849 HydrophobicContact CG-CD1 3.85Å; R845-L849 HydrophobicContact CG-CG 4.44Å; R845-L849 VanDerWaalsContact O-CB 3.25Å; R845-L849 WeakPolarHBondContact O-CB 3.34Å; R845-L849 WeakPolarHBondContact O-CG 3.33Å; R845-L849 PolarHBondContact O-N 3.07Å; R845-L849 VanDerWaalsContact O-N 3.09Å; Q847-L849 PolarHBondContact O-N 3.22Å |
| 850 | L | 74.2 | Confident | 75.4 | Confident | 24 Ų | 24 | 70.4 Ų | 70.4 | 13% | 0.126 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -118.8 | -17.8 | -171.1 | -56.9 | 174.5 | 0 | 0 | 0 | 114.4 | C846 R888 I890 Y903 | C846-L850 HydrophobicContact CB-CD1 4.07Å; C846-L850 VanDerWaalsContact O-CB 3.24Å; C846-L850 WeakPolarHBondContact O-CB 3.49Å; C846-L850 PolarHBondContact O-N 3.05Å; L850-R888 PolarHBondContact O-NE 2.75Å; L850-R888 PolarHBondContact O-NH2 2.8Å; L850-I890 HydrophobicContact CD1-CD1 3.49Å; L850-I890 VanDerWaalsContact CD1-CD1 3.49Å; L850-I890 HydrophobicContact CD1-CG1 3.94Å; L850-Y903 HydrophobicContact CD2-CD1 4.08Å; L850-Y903 HydrophobicContact CD2-CE1 3.96Å; L850-Y903 HydrophobicContact CD2-CG 4.44Å |
| 851 | I | 79.9 | Confident | 76.3 | Confident | 35 Ų | 35 | 66.4 Ų | 66.4 | 18% | 0.179 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -92 | 121.3 | -179.5 | -56.6 | -179.5 | 0 | 0 | 0 | 107.9 | Q847 E855 Y857 | Q847-I851 HydrophobicContact CB-CD1 4.07Å; Q847-I851 HydrophobicContact CG-CD1 3.86Å; Q847-I851 WeakPolarHBondContact O-CB 3.41Å; I851-E855 WeakPolarHBondContact CA-OE2 3.38Å; I851-E855 HydrophobicContact CG2-CB 3.89Å; I851-Y857 HydrophobicContact CD1-CD2 3.52Å; I851-Y857 HydrophobicContact CD1-CE2 4.3Å; I851-Y857 HydrophobicContact CD1-CG 4.14Å |
| 852 | E | 77.7 | Confident | 77 | Confident | 91 Ų | 91 | 60.3 Ų | 60.3 | 43% | 0.425 | 31% | 0.305 | S | S | . | . | trans | -77.8 | 150 | -179.9 | -65.3 | 169 | -140.3 | 0 | 0 | 109.1 | D854 E855 R888 R905 | E852-D854 PolarHBondContact O-N 3.23Å; E852-E855 HydrophobicContact CB-CG 4.04Å; E852-E855 PolarHBondContact N-OE2 2.69Å; E852-E855 WeakPolarHBondContact O-CB 3.22Å; E852-E855 PolarHBondContact O-N 3.49Å; E852-R888 IonicContact OE1-NH2 3.98Å; E852-R905 IonicContact OE1-NH1 2.96Å; E852-R905 PolarHBondContact OE1-NH1 2.88Å | ||
| 853 | S | 75.6 | Confident | 77.8 | Confident | 139 Ų | 139 | 58 Ų | 58 | 97% | 0.972 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -10 | -168 | 53.4 | 0 | 0 | 0 | 0 | 115 | ||
| 854 | D | 81.7 | Confident | 78.1 | Confident | 107 Ų | 107 | 58.8 Ų | 58.8 | 57% | 0.572 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | 6 | 175.6 | 77.5 | -25.3 | 0 | 0 | 0 | 113 | E852 K885 | E852-D854 PolarHBondContact O-N 3.23Å; D854-K885 VanDerWaalsContact C-NZ 3.28Å; D854-K885 WeakPolarHBondContact O-CE 3.22Å; D854-K885 PolarHBondContact O-NZ 2.67Å; D854-K885 IonicContact OD1-NZ 3.38Å; D854-K885 PolarHBondContact OD1-NZ 2.98Å; D854-K885 IonicContact OD2-NZ 2.89Å; D854-K885 PolarHBondContact OD2-NZ 3.27Å |
| 855 | E | 80.7 | Confident | 78.3 | Confident | 17 Ų | 17 | 58 Ų | 58 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | trans | -99.1 | 135.3 | 178.4 | -66.5 | -177.9 | 150.2 | 0 | 0 | 112.7 | I851 E852 K885 Y886 R888 | I851-E855 WeakPolarHBondContact CA-OE2 3.38Å; I851-E855 HydrophobicContact CG2-CB 3.89Å; E852-E855 HydrophobicContact CB-CG 4.04Å; E852-E855 PolarHBondContact N-OE2 2.69Å; E852-E855 WeakPolarHBondContact O-CB 3.22Å; E852-E855 PolarHBondContact O-N 3.49Å; E855-K885 HydrophobicContact CG-CD 4.17Å; E855-Y886 WeakPolarHBondContact OE1-CD2 3.26Å; E855-Y886 VanDerWaalsContact OE1-CE2 3.26Å; E855-Y886 WeakPolarHBondContact OE1-CE2 3.13Å; E855-R888 VanDerWaalsContact CD-NH2 3.25Å; E855-R888 IonicContact OE1-CZ 3.08Å; E855-R888 VanDerWaalsContact OE1-CZ 3.23Å; E855-R888 IonicContact OE1-NH1 3.34Å; E855-R888 PolarHBondContact OE1-NH1 2.83Å; E855-R888 IonicContact OE1-NH2 3.14Å; E855-R888 PolarHBondContact OE1-NH2 3.29Å; E855-R888 IonicContact OE2-CZ 2.7Å; E855-R888 IonicContact OE2-NH1 2.73Å; E855-R888 PolarHBondContact OE2-NH1 2.76Å; E855-R888 IonicContact OE2-NH2 3.77Å; E855-R888 PolarHBondContact OE2-NH2 2.73Å | ||
| 856 | K | 82.3 | Confident | 78.6 | Confident | 135 Ų | 135 | 52.3 Ų | 52.3 | 59% | 0.587 | 27% | 0.268 | S | S | * | . | trans | -91.3 | 111.6 | 174.3 | -164.2 | 170 | -174 | 169.9 | 0 | 111.1 | F858 T883 D884 | K856-F858 HydrophobicContact CD-CE1 4.13Å; K856-F858 HydrophobicContact CG-CE1 4.28Å; K856-T883 CarbonylContact O-C 3.59Å; K856-T883 VanDerWaalsContact O-CA 3.22Å; K856-T883 WeakPolarHBondContact O-CA 3.44Å; K856-D884 HydrophobicContact CB-CB 4.04Å; K856-D884 WeakPolarHBondContact CB-OD2 3.36Å; K856-D884 VanDerWaalsContact N-CG 3.26Å; K856-D884 PolarHBondContact N-OD1 3.01Å; K856-D884 PolarHBondContact N-OD2 3.26Å; K856-D884 PolarHBondContact O-N 2.98Å | ||
| 857 | Y | 84.3 | Confident | 78.3 | Confident | 66 Ų | 66 | 55 Ų | 55 | 26% | 0.259 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 132.7 | 169 | -178.8 | -103.1 | 0 | 0 | 0 | 111.8 | Q847 I851 A859 E860 L881 | Q847-Y857 HydrophobicContact CG-CE2 4.41Å; Q847-Y857 PolarHBondContact NE2-OH 3.06Å; Q847-Y857 VanDerWaalsContact NE2-OH 3.08Å; I851-Y857 HydrophobicContact CD1-CD2 3.52Å; I851-Y857 HydrophobicContact CD1-CE2 4.3Å; I851-Y857 HydrophobicContact CD1-CG 4.14Å; Y857-A859 VanDerWaalsContact OH-C 3.22Å; Y857-E860 VanDerWaalsContact OH-CB 3.22Å; Y857-E860 WeakPolarHBondContact OH-CB 3.21Å; Y857-E860 PolarHBondContact OH-N 3.45Å; Y857-E860 PolarHBondContact OH-OE1 3.13Å; Y857-E860 PolarHBondContact OH-OE2 3.46Å; Y857-L881 HydrophobicContact CE2-CB 4.46Å; Y857-L881 HydrophobicContact CE2-CD2 4.25Å |
| 858 | F | 81.7 | Confident | 77.7 | Confident | 77 Ų | 77 | 53.8 Ų | 53.8 | 34% | 0.338 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | -50.1 | 174.5 | -70.1 | -45.8 | 0 | 0 | 0 | 113.7 | K856 I882 D884 S1109 S1112 | K856-F858 HydrophobicContact CD-CE1 4.13Å; K856-F858 HydrophobicContact CG-CE1 4.28Å; F858-I882 PolarHBondContact N-O 3.01Å; F858-D884 HydrophobicContact CE2-CB 3.75Å; F858-D884 HydrophobicContact CZ-CB 3.93Å; F858-S1109 WeakPolarHBondContact CD2-OG 3.16Å; F858-S1112 WeakPolarHBondContact CE2-OG 3.28Å |
| 859 | A | 83.8 | Confident | 77.2 | Confident | 20 Ų | 20 | 51.6 Ų | 51.6 | 17% | 0.165 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 155.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y857 I882 T1105 | Y857-A859 VanDerWaalsContact OH-C 3.22Å; A859-I882 PolarHBondContact N-O 3.41Å; A859-I882 PolarHBondContact O-N 3.26Å; A859-T1105 HydrophobicContact CB-CG2 3.69Å |
| 860 | E | 84.2 | Confident | 76.7 | Confident | 36 Ų | 36 | 52.4 Ų | 52.4 | 17% | 0.168 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 143.8 | 166.2 | 61 | -83 | -121.8 | 0 | 0 | 111.5 | I843 Y857 V880 L881 L1081 K1084 | I843-E860 HydrophobicContact CD1-CB 4.32Å; I843-E860 HydrophobicContact CD1-CG 4.26Å; Y857-E860 VanDerWaalsContact OH-CB 3.22Å; Y857-E860 WeakPolarHBondContact OH-CB 3.21Å; Y857-E860 PolarHBondContact OH-N 3.45Å; Y857-E860 PolarHBondContact OH-OE1 3.13Å; Y857-E860 PolarHBondContact OH-OE2 3.46Å; E860-V880 CarbonylContact C-O 3.57Å; E860-V880 WeakPolarHBondContact CA-O 3.28Å; E860-L881 HydrophobicContact CB-CD2 4.08Å; E860-L1081 HydrophobicContact CB-CD2 4.11Å; E860-L1081 HydrophobicContact CG-CD2 3.43Å; E860-L1081 VanDerWaalsContact CG-CD2 3.43Å; E860-L1081 HydrophobicContact CG-CG 4.05Å; E860-K1084 WeakPolarHBondContact OE1-CE 3.49Å; E860-K1084 WeakPolarHBondContact OE1-CG 3.26Å |
| 861 | C | 84.7 | Confident | 75.8 | Confident | 8 Ų | 8 | 58.1 Ų | 58.1 | 5% | 0.054 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 166.3 | 163.8 | 76.9 | 0 | 0 | 0 | 0 | 112.8 | V880 V1102 | C861-V880 PolarHBondContact N-O 3.21Å; C861-V880 PolarHBondContact O-N 3.42Å; C861-V1102 HydrophobicContact CB-CG2 3.99Å |
| 862 | L | 80.4 | Confident | 74.4 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 115.1 | -176.2 | -161.9 | 79.4 | 0 | 0 | 0 | 108.9 | I839 N877 V879 P1077 L1081 L1086 | I839-L862 HydrophobicContact CD1-CD1 4.16Å; L862-N877 HydrophobicContact CD1-CB 3.9Å; L862-N877 HydrophobicContact CG-CB 4.37Å; L862-V879 HydrophobicContact CD1-CG2 4.04Å; L862-P1077 HydrophobicContact CD2-CG 4.09Å; L862-P1077 HydrophobicContact CG-CG 4.22Å; L862-P1077 WeakPolarHBondContact O-CD 3.46Å; L862-L1081 HydrophobicContact CB-CB 4.36Å; L862-L1086 HydrophobicContact CD2-CD2 4.18Å |
| 863 | L | 83.1 | Confident | 73 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 162.8 | 178.6 | -65.5 | -179.4 | 0 | 0 | 0 | 110.8 | T878 V880 F1074 L1099 V1102 | L863-T878 PolarHBondContact N-O 3.35Å; L863-T878 PolarHBondContact O-N 3Å; L863-V880 HydrophobicContact CB-CG2 4.45Å; L863-V880 HydrophobicContact CD1-CG2 3.97Å; L863-V880 HydrophobicContact CG-CG2 4.26Å; L863-F1074 HydrophobicContact CB-CB 4.16Å; L863-F1074 HydrophobicContact CB-CD1 3.77Å; L863-F1074 HydrophobicContact CB-CE1 4.49Å; L863-F1074 HydrophobicContact CB-CG 4.16Å; L863-F1074 HydrophobicContact CD1-CB 3.82Å; L863-F1074 HydrophobicContact CD1-CD1 4.04Å; L863-F1074 HydrophobicContact CD1-CD2 4.06Å; L863-F1074 HydrophobicContact CD1-CG 3.71Å; L863-F1074 HydrophobicContact CD2-CB 4.41Å; L863-F1074 HydrophobicContact CG-CB 4.36Å; L863-L1099 HydrophobicContact CD2-CD2 4.13Å; L863-V1102 HydrophobicContact CD1-CG1 4.3Å; L863-V1102 HydrophobicContact CD2-CG1 4.35Å |
| 864 | V | 76.2 | Confident | 71.5 | Confident | 22 Ų | 22 | 57.4 Ų | 57.4 | 13% | 0.133 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133.1 | 171.5 | 168.4 | 0 | 0 | 0 | 0 | 109 | Y866 F869 F1074 L1075 P1077 | V864-Y866 PolarHBondContact O-N 3.47Å; V864-F869 HydrophobicContact CG1-CB 4.33Å; V864-F1074 WeakPolarHBondContact O-CA 3.47Å; V864-L1075 HydrophobicContact CB-CB 4.48Å; V864-L1075 PolarHBondContact N-O 3.11Å; V864-L1075 PolarHBondContact O-N 2.72Å; V864-P1077 HydrophobicContact CG2-CB 3.75Å; V864-P1077 HydrophobicContact CG2-CG 3.89Å |
| 865 | S | 73.9 | Confident | 70 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 3% | 0.028 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 121.6 | 174.5 | 176.7 | 0 | 0 | 0 | 0 | 110.4 | Y867 E868 F869 | S865-Y867 PolarHBondContact O-N 3.39Å; S865-E868 VanDerWaalsContact CB-OE2 3.3Å; S865-E868 WeakPolarHBondContact CB-OE2 3.48Å; S865-E868 PolarHBondContact O-N 3.01Å; S865-E868 VanDerWaalsContact O-N 3.12Å; S865-F869 PolarHBondContact O-N 2.8Å; S865-F869 VanDerWaalsContact O-N 3.08Å |
| 866 | Y | 73 | Confident | 68.5 | Low | 20 Ų | 20 | 58 Ų | 58 | 8% | 0.078 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.3 | -34.8 | -179.1 | 176.4 | -112.4 | 0 | 0 | 0 | 111.8 | V864 E868 F869 I870 E919 V929 E1073 L1075 | V864-Y866 PolarHBondContact O-N 3.47Å; Y866-E868 PolarHBondContact O-N 3.02Å; Y866-F869 WeakPolarHBondContact O-CB 3.15Å; Y866-F869 PolarHBondContact O-N 3.12Å; Y866-I870 HydrophobicContact CD1-CD1 3.83Å; Y866-I870 HydrophobicContact CE1-CD1 3.28Å; Y866-I870 HydrophobicContact CE1-CG1 4.11Å; Y866-I870 HydrophobicContact CE2-CD1 4.22Å; Y866-I870 HydrophobicContact CE2-CG1 4.16Å; Y866-I870 HydrophobicContact CG-CD1 4.46Å; Y866-I870 VanDerWaalsContact CZ-CD1 3.46Å; Y866-I870 WeakPolarHBondContact O-CG1 3.2Å; Y866-I870 PolarHBondContact O-N 3.16Å; Y866-E919 HydrophobicContact CE2-CB 4.44Å; Y866-E919 WeakPolarHBondContact OH-CG 3.32Å; Y866-E919 PolarHBondContact OH-OE2 3.44Å; Y866-V929 HydrophobicContact CD2-CG2 4.1Å; Y866-V929 HydrophobicContact CE2-CG2 4.33Å; Y866-V929 HydrophobicContact CG-CG1 4.5Å; Y866-V929 HydrophobicContact CG-CG2 4.39Å; Y866-E1073 WeakPolarHBondContact CB-O 3.41Å; Y866-E1073 HydrophobicContact CD1-CB 4.1Å; Y866-E1073 WeakPolarHBondContact CD1-OE2 3.41Å; Y866-E1073 HydrophobicContact CG-CB 4.28Å; Y866-E1073 PolarHBondContact N-O 2.92Å; Y866-L1075 HydrophobicContact CD2-CD1 3.97Å; Y866-L1075 HydrophobicContact CD2-CD2 3.86Å; Y866-L1075 HydrophobicContact CD2-CG 3.85Å |
| 867 | Y | 64.6 | Low | 67.6 | Low | 72 Ų | 72 | 52.3 Ų | 52.3 | 28% | 0.282 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 176.1 | -173.5 | -102.5 | 0 | 0 | 0 | 113.2 | S865 I870 R871 I995 | S865-Y867 PolarHBondContact O-N 3.39Å; Y867-I870 PolarHBondContact O-N 3.45Å; Y867-R871 HydrophobicContact CE1-CG 4.42Å; Y867-R871 PolarHBondContact O-N 3.06Å; Y867-R871 VanDerWaalsContact O-N 3.13Å; Y867-R871 PolarHBondContact OH-NE 2.84Å; Y867-R871 PolarHBondContact OH-NH2 2.67Å; Y867-I995 HydrophobicContact CD1-CD1 4.4Å; Y867-I995 HydrophobicContact CD1-CG1 4.28Å; Y867-I995 HydrophobicContact CD2-CG1 4.02Å; Y867-I995 HydrophobicContact CG-CD1 4.04Å; Y867-I995 HydrophobicContact CG-CG1 3.85Å |
| 868 | E | 62.7 | Low | 67 | Low | 13 Ų | 13 | 49.2 Ų | 49.2 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -75.8 | -34.7 | -180 | -62.8 | -171.6 | 107.6 | 0 | 0 | 111.7 | S865 Y866 R871 G872 M873 V876 R891 | S865-E868 VanDerWaalsContact CB-OE2 3.3Å; S865-E868 WeakPolarHBondContact CB-OE2 3.48Å; S865-E868 PolarHBondContact O-N 3.01Å; S865-E868 VanDerWaalsContact O-N 3.12Å; Y866-E868 PolarHBondContact O-N 3.02Å; E868-R871 PolarHBondContact O-N 3.3Å; E868-G872 PolarHBondContact O-N 2.92Å; E868-M873 HydrophobicContact CB-CB 4.32Å; E868-M873 PolarHBondContact O-N 2.85Å; E868-V876 WeakPolarHBondContact OE2-CG1 3.34Å; E868-R891 IonicContact OE1-CZ 3.7Å; E868-R891 IonicContact OE1-NH1 2.79Å; E868-R891 PolarHBondContact OE1-NH1 2.91Å; E868-R891 IonicContact OE1-NH2 3.18Å; E868-R891 PolarHBondContact OE1-NH2 2.63Å; E868-R891 IonicContact OE2-NH1 3.96Å |
| 869 | F | 63.8 | Low | 66.8 | Low | 110 Ų | 110 | 45.6 Ų | 45.6 | 48% | 0.482 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.1 | -48.4 | 168.8 | 178.3 | -91.6 | 0 | 0 | 0 | 111.7 | V864 S865 Y866 R871 G872 N927 L1075 | V864-F869 HydrophobicContact CG1-CB 4.33Å; S865-F869 PolarHBondContact O-N 2.8Å; S865-F869 VanDerWaalsContact O-N 3.08Å; Y866-F869 WeakPolarHBondContact O-CB 3.15Å; Y866-F869 PolarHBondContact O-N 3.12Å; F869-R871 VanDerWaalsContact C-N 3.29Å; F869-R871 PolarHBondContact O-N 3Å; F869-G872 PolarHBondContact O-N 2.8Å; F869-N927 WeakPolarHBondContact CE1-ND2 3.48Å; F869-L1075 HydrophobicContact CB-CD1 3.79Å; F869-L1075 HydrophobicContact CD1-CD1 3.62Å; F869-L1075 HydrophobicContact CD2-CD1 3.71Å; F869-L1075 HydrophobicContact CE1-CD1 4.09Å; F869-L1075 HydrophobicContact CE2-CD1 4.16Å; F869-L1075 HydrophobicContact CG-CD1 3.42Å; F869-L1075 VanDerWaalsContact CG-CD1 3.42Å; F869-L1075 HydrophobicContact CZ-CD1 4.34Å |
| 870 | I | 61.7 | Low | 66.8 | Low | 102 Ų | 102 | 44.7 Ų | 44.7 | 52% | 0.523 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.1 | -40.4 | 174.8 | -64.6 | 159.1 | 0 | 0 | 0 | 111.5 | Y866 Y867 G872 | Y866-I870 HydrophobicContact CD1-CD1 3.83Å; Y866-I870 HydrophobicContact CE1-CD1 3.28Å; Y866-I870 HydrophobicContact CE1-CG1 4.11Å; Y866-I870 HydrophobicContact CE2-CD1 4.22Å; Y866-I870 HydrophobicContact CE2-CG1 4.16Å; Y866-I870 HydrophobicContact CG-CD1 4.46Å; Y866-I870 VanDerWaalsContact CZ-CD1 3.46Å; Y866-I870 WeakPolarHBondContact O-CG1 3.2Å; Y866-I870 PolarHBondContact O-N 3.16Å; Y867-I870 PolarHBondContact O-N 3.45Å; I870-G872 PolarHBondContact O-N 3.29Å |
| 871 | R | 56.3 | Low | 66.9 | Low | 144 Ų | 144 | 43 Ų | 43 | 54% | 0.543 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -6.7 | 177.9 | -79.5 | -175 | 168 | -126.9 | 1.4 | 114.3 | Y867 E868 F869 M873 | Y867-R871 HydrophobicContact CE1-CG 4.42Å; Y867-R871 PolarHBondContact O-N 3.06Å; Y867-R871 VanDerWaalsContact O-N 3.13Å; Y867-R871 PolarHBondContact OH-NE 2.84Å; Y867-R871 PolarHBondContact OH-NH2 2.67Å; E868-R871 PolarHBondContact O-N 3.3Å; F869-R871 VanDerWaalsContact C-N 3.29Å; F869-R871 PolarHBondContact O-N 3Å; R871-M873 HydrophobicContact CB-CG 4.39Å; R871-M873 PolarHBondContact O-N 2.82Å |
| 872 | G | 49.8 | Very low | 67 | Low | 54 Ų | 54 | 42.7 Ų | 42.7 | 56% | 0.557 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | 20.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E868 F869 I870 T874 | E868-G872 PolarHBondContact O-N 2.92Å; F869-G872 PolarHBondContact O-N 2.8Å; I870-G872 PolarHBondContact O-N 3.29Å; G872-T874 PolarHBondContact O-N 3.4Å; G872-T874 VanDerWaalsContact O-N 3.14Å |
| 873 | M | 49.6 | Very low | 67.3 | Low | 103 Ų | 103 | 42.7 Ų | 42.7 | 51% | 0.507 | 21% | 0.212 | S | C | . | . | trans | -77.8 | 96.8 | 174.3 | -77.7 | -176.7 | 151.8 | 0 | 0 | 109.2 | E868 R871 | E868-M873 HydrophobicContact CB-CB 4.32Å; E868-M873 PolarHBondContact O-N 2.85Å; R871-M873 HydrophobicContact CB-CG 4.39Å; R871-M873 PolarHBondContact O-N 2.82Å | ||
| 874 | T | 43.6 | Very low | 67.4 | Low | 93 Ų | 93 | 44.6 Ų | 44.6 | 57% | 0.571 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | 128 | -173.1 | 55.2 | 0 | 0 | 0 | 0 | 111.8 | G872 | G872-T874 PolarHBondContact O-N 3.4Å; G872-T874 VanDerWaalsContact O-N 3.14Å |
| 875 | Y | 49.3 | Very low | 67.8 | Low | 125 Ų | 125 | 46.6 Ų | 46.6 | 49% | 0.49 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 30.1 | 170.3 | -42.8 | -73.2 | 0 | 0 | 0 | 118.2 | N877 L1449 | Y875-N877 PolarHBondContact O-N 3.47Å; Y875-N877 VanDerWaalsContact O-N 3.11Å; Y875-L1449 WeakPolarHBondContact OH-CD1 3.3Å |
| 876 | V | 50.2 | Low | 68.4 | Low | 13 Ų | 13 | 49.2 Ų | 49.2 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | trans | -76.5 | 92.1 | 158 | -172.2 | 0 | 0 | 0 | 0 | 108.5 | E868 R891 | E868-V876 WeakPolarHBondContact OE2-CG1 3.34Å; V876-R891 HydrophobicContact CG1-CG 4.04Å | ||
| 877 | N | 63.4 | Low | 69 | Low | 14 Ų | 14 | 48.2 Ų | 48.2 | 8% | 0.075 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 140 | 166.5 | -70.2 | -11.6 | 0 | 0 | 0 | 108.9 | L862 Y875 T892 F894 | L862-N877 HydrophobicContact CD1-CB 3.9Å; L862-N877 HydrophobicContact CG-CB 4.37Å; Y875-N877 PolarHBondContact O-N 3.47Å; Y875-N877 VanDerWaalsContact O-N 3.11Å; N877-T892 PolarHBondContact O-N 3.28Å; N877-T892 PolarHBondContact O-OG1 2.96Å; N877-F894 HydrophobicContact CB-CE2 4.44Å |
| 878 | T | 71.4 | Confident | 69.9 | Low | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 113.8 | 165.2 | -53.5 | 0 | 0 | 0 | 0 | 107.2 | L863 V880 F889 I890 F1074 | L863-T878 PolarHBondContact N-O 3.35Å; L863-T878 PolarHBondContact O-N 3Å; T878-V880 HydrophobicContact CG2-CG2 4.18Å; T878-F889 HydrophobicContact CG2-CB 3.93Å; T878-F889 HydrophobicContact CG2-CD1 4.05Å; T878-I890 WeakPolarHBondContact CA-O 3.06Å; T878-F1074 HydrophobicContact CG2-CE1 4.37Å |
| 879 | V | 77.3 | Confident | 70.7 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 122.5 | 169 | 171.4 | 0 | 0 | 0 | 0 | 106.7 | L842 I843 L862 L881 I890 T892 | L842-V879 HydrophobicContact CD2-CG2 4.48Å; I843-V879 HydrophobicContact CD1-CG1 4.23Å; I843-V879 HydrophobicContact CG1-CG1 3.81Å; L862-V879 HydrophobicContact CD1-CG2 4.04Å; V879-L881 HydrophobicContact CG1-CD2 3.99Å; V879-L881 HydrophobicContact CG1-CG 4.49Å; V879-I890 HydrophobicContact CB-CB 4.34Å; V879-I890 HydrophobicContact CG1-CD1 4.44Å; V879-I890 PolarHBondContact N-O 3.4Å; V879-I890 WeakPolarHBondContact O-CB 3.44Å; V879-I890 PolarHBondContact O-N 2.82Å; V879-T892 HydrophobicContact CB-CG2 4.34Å; V879-T892 HydrophobicContact CG2-CG2 3.81Å |
| 880 | V | 84.1 | Confident | 71.2 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 119.9 | 177.6 | -171.2 | 0 | 0 | 0 | 0 | 108.3 | E860 C861 L863 T878 I882 I887 R888 F889 | E860-V880 CarbonylContact C-O 3.57Å; E860-V880 WeakPolarHBondContact CA-O 3.28Å; C861-V880 PolarHBondContact N-O 3.21Å; C861-V880 PolarHBondContact O-N 3.42Å; L863-V880 HydrophobicContact CB-CG2 4.45Å; L863-V880 HydrophobicContact CD1-CG2 3.97Å; L863-V880 HydrophobicContact CG-CG2 4.26Å; T878-V880 HydrophobicContact CG2-CG2 4.18Å; V880-I882 HydrophobicContact CG1-CG1 4.2Å; V880-I887 HydrophobicContact CG1-CG2 3.36Å; V880-R888 WeakPolarHBondContact CA-O 3.26Å; V880-F889 HydrophobicContact CB-CD1 4.49Å; V880-F889 HydrophobicContact CG1-CD1 4.13Å; V880-F889 HydrophobicContact CG1-CE1 3.94Å; V880-F889 HydrophobicContact CG1-CZ 4.34Å; V880-F889 HydrophobicContact CG2-CD1 3.62Å; V880-F889 HydrophobicContact CG2-CE1 3.82Å |
| 881 | L | 85.5 | Confident | 71.5 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 127.8 | 169.5 | -52.4 | -178.1 | 0 | 0 | 0 | 108.5 | C846 Y857 E860 V879 R888 I890 | C846-L881 HydrophobicContact CB-CD1 4.11Å; Y857-L881 HydrophobicContact CE2-CB 4.46Å; Y857-L881 HydrophobicContact CE2-CD2 4.25Å; E860-L881 HydrophobicContact CB-CD2 4.08Å; V879-L881 HydrophobicContact CG1-CD2 3.99Å; V879-L881 HydrophobicContact CG1-CG 4.49Å; L881-R888 HydrophobicContact CB-CB 4.31Å; L881-R888 PolarHBondContact N-O 2.86Å; L881-R888 PolarHBondContact O-N 2.99Å; L881-I890 HydrophobicContact CD1-CD1 3.75Å; L881-I890 HydrophobicContact CG-CD1 3.88Å |
| 882 | I | 87.1 | Confident | 71.7 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 122.3 | -179.3 | -52.4 | 175 | 0 | 0 | 0 | 108 | F858 A859 V880 I887 T1105 I1106 S1109 | F858-I882 PolarHBondContact N-O 3.01Å; A859-I882 PolarHBondContact N-O 3.41Å; A859-I882 PolarHBondContact O-N 3.26Å; V880-I882 HydrophobicContact CG1-CG1 4.2Å; I882-I887 HydrophobicContact CG1-CG2 4.48Å; I882-T1105 HydrophobicContact CD1-CG2 3.82Å; I882-I1106 HydrophobicContact CD1-CG1 3.86Å; I882-S1109 WeakPolarHBondContact CG2-OG 3.44Å |
| 883 | T | 86.4 | Confident | 72 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 179.1 | 175.6 | 62.3 | 0 | 0 | 0 | 0 | 110.2 | K856 K885 Y886 L908 | K856-T883 CarbonylContact O-C 3.59Å; K856-T883 VanDerWaalsContact O-CA 3.22Å; K856-T883 WeakPolarHBondContact O-CA 3.44Å; T883-K885 VanDerWaalsContact C-N 3.33Å; T883-Y886 PolarHBondContact N-O 2.97Å; T883-Y886 PolarHBondContact OG1-N 2.7Å; T883-Y886 PolarHBondContact OG1-O 2.69Å; T883-L908 WeakPolarHBondContact O-CD1 3.31Å |
| 884 | D | 85.5 | Confident | 71.8 | Confident | 42 Ų | 42 | 28.8 Ų | 28.8 | 23% | 0.225 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -73.7 | -15.1 | 173.5 | 60.7 | -13 | 0 | 0 | 0 | 115.3 | K856 F858 L908 | K856-D884 HydrophobicContact CB-CB 4.04Å; K856-D884 WeakPolarHBondContact CB-OD2 3.36Å; K856-D884 VanDerWaalsContact N-CG 3.26Å; K856-D884 PolarHBondContact N-OD1 3.01Å; K856-D884 PolarHBondContact N-OD2 3.26Å; K856-D884 PolarHBondContact O-N 2.98Å; F858-D884 HydrophobicContact CE2-CB 3.75Å; F858-D884 HydrophobicContact CZ-CB 3.93Å; D884-L908 WeakPolarHBondContact O-CD1 3.42Å |
| 885 | K | 83.9 | Confident | 71.7 | Confident | 64 Ų | 64 | 31.1 Ų | 31.1 | 28% | 0.278 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -112.4 | -39.9 | 177.5 | -62.4 | 174.7 | -153.9 | 156.7 | 0 | 113.5 | D854 E855 T883 L908 | D854-K885 VanDerWaalsContact C-NZ 3.28Å; D854-K885 WeakPolarHBondContact O-CE 3.22Å; D854-K885 PolarHBondContact O-NZ 2.67Å; D854-K885 IonicContact OD1-NZ 3.38Å; D854-K885 PolarHBondContact OD1-NZ 2.98Å; D854-K885 IonicContact OD2-NZ 2.89Å; D854-K885 PolarHBondContact OD2-NZ 3.27Å; E855-K885 HydrophobicContact CG-CD 4.17Å; T883-K885 VanDerWaalsContact C-N 3.33Å; K885-L908 PolarHBondContact O-N 3.03Å |
| 886 | Y | 87.1 | Confident | 71.2 | Confident | 58 Ų | 58 | 29.6 Ų | 29.6 | 23% | 0.227 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 154.2 | -172.3 | -49 | -91.5 | 0 | 0 | 0 | 113.7 | E855 T883 R905 I906 P907 | E855-Y886 WeakPolarHBondContact OE1-CD2 3.26Å; E855-Y886 VanDerWaalsContact OE1-CE2 3.26Å; E855-Y886 WeakPolarHBondContact OE1-CE2 3.13Å; T883-Y886 PolarHBondContact N-O 2.97Å; T883-Y886 PolarHBondContact OG1-N 2.7Å; T883-Y886 PolarHBondContact OG1-O 2.69Å; Y886-R905 HydrophobicContact CD1-CB 4.35Å; Y886-I906 WeakPolarHBondContact CA-O 3.42Å; Y886-P907 HydrophobicContact CD1-CB 4.17Å; Y886-P907 HydrophobicContact CD1-CG 4.06Å; Y886-P907 HydrophobicContact CE1-CB 4.27Å; Y886-P907 HydrophobicContact CE1-CG 4.03Å |
| 887 | I | 85.9 | Confident | 70.7 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 121.1 | 159.1 | -50.1 | -175.1 | 0 | 0 | 0 | 108.1 | V880 I882 F889 I906 L908 I911 I1106 | V880-I887 HydrophobicContact CG1-CG2 3.36Å; I882-I887 HydrophobicContact CG1-CG2 4.48Å; I887-F889 HydrophobicContact CB-CE2 3.93Å; I887-F889 HydrophobicContact CB-CZ 4.33Å; I887-F889 HydrophobicContact CG2-CD2 4.15Å; I887-F889 HydrophobicContact CG2-CE1 4.24Å; I887-F889 HydrophobicContact CG2-CE2 3.44Å; I887-F889 VanDerWaalsContact CG2-CE2 3.44Å; I887-F889 HydrophobicContact CG2-CZ 3.49Å; I887-F889 VanDerWaalsContact CG2-CZ 3.49Å; I887-I906 PolarHBondContact N-O 2.77Å; I887-I906 PolarHBondContact O-N 2.89Å; I887-L908 HydrophobicContact CD1-CD2 3.9Å; I887-L908 HydrophobicContact CG1-CD2 3.65Å; I887-L908 HydrophobicContact CG1-CG 4.43Å; I887-I911 HydrophobicContact CD1-CD1 3.52Å; I887-I911 HydrophobicContact CG1-CD1 4.31Å; I887-I1106 HydrophobicContact CD1-CD1 4.46Å; I887-I1106 HydrophobicContact CD1-CG1 4.12Å; I887-I1106 HydrophobicContact CD1-CG2 3.85Å |
| 888 | R | 83.3 | Confident | 69.4 | Low | 3 Ų | 3 | 45.8 Ų | 45.8 | 1% | 0.011 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 112.3 | 178.4 | -70.2 | 171.6 | 166.1 | 75.4 | 0.3 | 109.7 | L850 E852 E855 V880 L881 I904 R905 | L850-R888 PolarHBondContact O-NE 2.75Å; L850-R888 PolarHBondContact O-NH2 2.8Å; E852-R888 IonicContact OE1-NH2 3.98Å; E855-R888 VanDerWaalsContact CD-NH2 3.25Å; E855-R888 IonicContact OE1-CZ 3.08Å; E855-R888 VanDerWaalsContact OE1-CZ 3.23Å; E855-R888 IonicContact OE1-NH1 3.34Å; E855-R888 PolarHBondContact OE1-NH1 2.83Å; E855-R888 IonicContact OE1-NH2 3.14Å; E855-R888 PolarHBondContact OE1-NH2 3.29Å; E855-R888 IonicContact OE2-CZ 2.7Å; E855-R888 IonicContact OE2-NH1 2.73Å; E855-R888 PolarHBondContact OE2-NH1 2.76Å; E855-R888 IonicContact OE2-NH2 3.77Å; E855-R888 PolarHBondContact OE2-NH2 2.73Å; V880-R888 WeakPolarHBondContact CA-O 3.26Å; L881-R888 HydrophobicContact CB-CB 4.31Å; L881-R888 PolarHBondContact N-O 2.86Å; L881-R888 PolarHBondContact O-N 2.99Å; R888-I904 CarbonylContact C-O 3.53Å; R888-I904 WeakPolarHBondContact CA-O 3.35Å; R888-R905 HydrophobicContact CG-CB 4.35Å |
| 889 | F | 80.3 | Confident | 68.1 | Low | 5 Ų | 5 | 49.9 Ų | 49.9 | 2% | 0.022 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 117.3 | 174 | -61.8 | -91.1 | 0 | 0 | 0 | 109.4 | T878 V880 I887 Y903 I904 I906 I932 L1072 F1074 | T878-F889 HydrophobicContact CG2-CB 3.93Å; T878-F889 HydrophobicContact CG2-CD1 4.05Å; V880-F889 HydrophobicContact CB-CD1 4.49Å; V880-F889 HydrophobicContact CG1-CD1 4.13Å; V880-F889 HydrophobicContact CG1-CE1 3.94Å; V880-F889 HydrophobicContact CG1-CZ 4.34Å; V880-F889 HydrophobicContact CG2-CD1 3.62Å; V880-F889 HydrophobicContact CG2-CE1 3.82Å; I887-F889 HydrophobicContact CB-CE2 3.93Å; I887-F889 HydrophobicContact CB-CZ 4.33Å; I887-F889 HydrophobicContact CG2-CD2 4.15Å; I887-F889 HydrophobicContact CG2-CE1 4.24Å; I887-F889 HydrophobicContact CG2-CE2 3.44Å; I887-F889 VanDerWaalsContact CG2-CE2 3.44Å; I887-F889 HydrophobicContact CG2-CZ 3.49Å; I887-F889 VanDerWaalsContact CG2-CZ 3.49Å; F889-Y903 CarbonylContact O-C 3.56Å; F889-Y903 WeakPolarHBondContact O-CA 3.23Å; F889-I904 PolarHBondContact N-O 2.9Å; F889-I904 PolarHBondContact O-N 2.77Å; F889-I906 HydrophobicContact CD2-CD1 4.2Å; F889-I906 HydrophobicContact CD2-CG1 4.28Å; F889-I906 HydrophobicContact CE2-CD1 3.75Å; F889-I906 HydrophobicContact CE2-CG1 4.06Å; F889-I932 HydrophobicContact CE1-CD1 4.07Å; F889-I932 HydrophobicContact CZ-CD1 3.64Å; F889-L1072 HydrophobicContact CE2-CD1 4.39Å; F889-F1074 HydrophobicContact CD1-CE1 4.14Å; F889-F1074 HydrophobicContact CD1-CE2 4.03Å; F889-F1074 AromaticContact CD1-CZ 3.43Å; F889-F1074 HydrophobicContact CD1-CZ 3.43Å; F889-F1074 VanDerWaalsContact CD1-CZ 3.43Å; F889-F1074 HydrophobicContact CE1-CD2 4.44Å; F889-F1074 HydrophobicContact CE1-CE1 4.31Å; F889-F1074 AromaticContact CE1-CE2 3.46Å; F889-F1074 HydrophobicContact CE1-CE2 3.46Å; F889-F1074 VanDerWaalsContact CE1-CE2 3.46Å; F889-F1074 AromaticContact CE1-CZ 3.39Å; F889-F1074 HydrophobicContact CE1-CZ 3.39Å; F889-F1074 HydrophobicContact CG-CZ 4.41Å; F889-F1074 HydrophobicContact CZ-CE2 4.14Å; F889-F1074 HydrophobicContact CZ-CZ 4.34Å |
| 890 | I | 74.4 | Confident | 66.5 | Low | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 114.1 | -175.7 | -52.3 | 168 | 0 | 0 | 0 | 108.5 | C846 L850 T878 V879 L881 T892 | C846-I890 HydrophobicContact CB-CD1 3.8Å; L850-I890 HydrophobicContact CD1-CD1 3.49Å; L850-I890 VanDerWaalsContact CD1-CD1 3.49Å; L850-I890 HydrophobicContact CD1-CG1 3.94Å; T878-I890 WeakPolarHBondContact CA-O 3.06Å; V879-I890 HydrophobicContact CB-CB 4.34Å; V879-I890 HydrophobicContact CG1-CD1 4.44Å; V879-I890 PolarHBondContact N-O 3.4Å; V879-I890 WeakPolarHBondContact O-CB 3.44Å; V879-I890 PolarHBondContact O-N 2.82Å; L881-I890 HydrophobicContact CD1-CD1 3.75Å; L881-I890 HydrophobicContact CG-CD1 3.88Å; I890-T892 PolarHBondContact O-N 3.03Å |
| 891 | R | 66.8 | Low | 64.7 | Low | 29 Ų | 29 | 61 Ų | 61 | 11% | 0.109 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 114.3 | -180 | -178.3 | -170 | 175.4 | 77.4 | 27 | 110.3 | E868 V876 D893 A902 | E868-R891 IonicContact OE1-CZ 3.7Å; E868-R891 IonicContact OE1-NH1 2.79Å; E868-R891 PolarHBondContact OE1-NH1 2.91Å; E868-R891 IonicContact OE1-NH2 3.18Å; E868-R891 PolarHBondContact OE1-NH2 2.63Å; E868-R891 IonicContact OE2-NH1 3.96Å; V876-R891 HydrophobicContact CG1-CG 4.04Å; R891-D893 IonicContact CZ-OD1 2.82Å; R891-D893 IonicContact CZ-OD2 3.65Å; R891-D893 VanDerWaalsContact NE-CG 3.26Å; R891-D893 IonicContact NE-OD1 3.8Å; R891-D893 PolarHBondContact NE-OD1 2.96Å; R891-D893 VanDerWaalsContact NE-OD1 3.14Å; R891-D893 IonicContact NE-OD2 3.4Å; R891-D893 PolarHBondContact NE-OD2 3.25Å; R891-D893 IonicContact NH2-OD1 2.68Å; R891-D893 PolarHBondContact NH2-OD1 3.25Å; R891-D893 IonicContact NH2-OD2 3.21Å; R891-D893 PolarHBondContact O-N 3.04Å; R891-A902 HydrophobicContact CB-CB 4.48Å; R891-A902 VanDerWaalsContact CB-O 3.29Å; R891-A902 WeakPolarHBondContact CB-O 3.21Å; R891-A902 PolarHBondContact N-O 3.23Å |
| 892 | T | 61.4 | Low | 63.3 | Low | 9 Ų | 9 | 63.2 Ų | 63.2 | 6% | 0.055 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 77.1 | -178 | 77.4 | 0 | 0 | 0 | 0 | 111.7 | L842 N877 V879 I890 F894 | L842-T892 HydrophobicContact CD2-CG2 3.48Å; L842-T892 VanDerWaalsContact CD2-CG2 3.48Å; N877-T892 PolarHBondContact O-N 3.28Å; N877-T892 PolarHBondContact O-OG1 2.96Å; V879-T892 HydrophobicContact CB-CG2 4.34Å; V879-T892 HydrophobicContact CG2-CG2 3.81Å; I890-T892 PolarHBondContact O-N 3.03Å; T892-F894 VanDerWaalsContact C-N 3.27Å; T892-F894 WeakPolarHBondContact O-CD2 3.47Å; T892-F894 PolarHBondContact O-N 3.3Å; T892-F894 WeakPolarHBondContact OG1-CE2 3.16Å; T892-F894 WeakPolarHBondContact OG1-CZ 3.2Å |
| 893 | D | 54.7 | Low | 62.2 | Low | 50 Ų | 50 | 67.2 Ų | 67.2 | 27% | 0.267 | 32% | 0.321 | S | S | . | . | trans | -72.2 | 77.7 | 173.3 | -77.3 | -24.8 | 0 | 0 | 0 | 110.9 | R891 I895 N896 | R891-D893 IonicContact CZ-OD1 2.82Å; R891-D893 IonicContact CZ-OD2 3.65Å; R891-D893 VanDerWaalsContact NE-CG 3.26Å; R891-D893 IonicContact NE-OD1 3.8Å; R891-D893 PolarHBondContact NE-OD1 2.96Å; R891-D893 VanDerWaalsContact NE-OD1 3.14Å; R891-D893 IonicContact NE-OD2 3.4Å; R891-D893 PolarHBondContact NE-OD2 3.25Å; R891-D893 IonicContact NH2-OD1 2.68Å; R891-D893 PolarHBondContact NH2-OD1 3.25Å; R891-D893 IonicContact NH2-OD2 3.21Å; R891-D893 PolarHBondContact O-N 3.04Å; D893-I895 PolarHBondContact O-N 2.78Å; D893-N896 PolarHBondContact O-N 3.23Å | ||
| 894 | F | 47 | Very low | 61.5 | Low | 88 Ų | 88 | 69.7 Ų | 69.7 | 39% | 0.386 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 6 | -179 | -67.3 | -67.1 | 0 | 0 | 0 | 116 | I839 N877 T892 | I839-F894 HydrophobicContact CG1-CZ 4.18Å; N877-F894 HydrophobicContact CB-CE2 4.44Å; T892-F894 VanDerWaalsContact C-N 3.27Å; T892-F894 WeakPolarHBondContact O-CD2 3.47Å; T892-F894 PolarHBondContact O-N 3.3Å; T892-F894 WeakPolarHBondContact OG1-CE2 3.16Å; T892-F894 WeakPolarHBondContact OG1-CZ 3.2Å |
| 895 | I | 41.3 | Very low | 61.1 | Low | 142 Ų | 142 | 71.2 Ų | 71.2 | 73% | 0.728 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | -36.5 | -171.6 | -58.6 | 178.4 | 0 | 0 | 0 | 111.9 | D893 | D893-I895 PolarHBondContact O-N 2.78Š|
| 896 | N | 37.6 | Very low | 61 | Low | 93 Ų | 93 | 68.3 Ų | 68.3 | 50% | 0.497 | 32% | 0.324 | S | S | . | . | trans | -107.6 | 110.1 | 179.7 | -85.4 | 17.8 | 0 | 0 | 0 | 110.8 | D893 N898 N899 | D893-N896 PolarHBondContact O-N 3.23Å; N896-N898 VanDerWaalsContact C-N 3.26Å; N896-N898 PolarHBondContact O-N 3.19Å; N896-N899 HydrophobicContact CB-CB 4.31Å | ||
| 897 | R | 39.6 | Very low | 60.9 | Low | 240 Ų | 240 | 67.3 Ų | 67.3 | 91% | 0.906 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -29.2 | 170.4 | -77.6 | -178.5 | 167.2 | -176.6 | -5.7 | 112.9 | N899 | R897-N899 VanDerWaalsContact C-N 3.35Å; R897-N899 PolarHBondContact O-N 3.39Å |
| 898 | N | 37.4 | Very low | 60.8 | Low | 127 Ų | 127 | 67.4 Ų | 67.4 | 68% | 0.679 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -3.1 | -169.9 | -55.3 | 27.7 | 0 | 0 | 0 | 113.2 | N896 | N896-N898 VanDerWaalsContact C-N 3.26Å; N896-N898 PolarHBondContact O-N 3.19Å |
| 899 | N | 43.8 | Very low | 60.8 | Low | 87 Ų | 87 | 73.6 Ų | 73.6 | 47% | 0.465 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -90.1 | 117.2 | 171.6 | -81 | 1.2 | 0 | 0 | 0 | 109.9 | N896 R897 | N896-N899 HydrophobicContact CB-CB 4.31Å; R897-N899 VanDerWaalsContact C-N 3.35Å; R897-N899 PolarHBondContact O-N 3.39Å |
| 900 | R | 42.4 | Very low | 60.9 | Low | 149 Ų | 149 | 74.2 Ų | 74.2 | 56% | 0.562 | 36% | 0.362 | S | S | * | . | trans | -52.6 | 134.3 | 166.6 | -71.9 | -180 | 175.2 | 149.7 | -5.1 | 109.2 | A902 D949 | R900-A902 PolarHBondContact O-N 3.2Å; R900-D949 IonicContact CZ-OD1 2.78Å; R900-D949 IonicContact NH2-OD1 3.63Å; R900-D949 PolarHBondContact NH2-OD1 3.05Å; R900-D949 IonicContact NH2-OD2 2.79Å | ||
| 901 | P | 47 | Very low | 61.5 | Low | 87 Ų | 87 | 74.1 Ų | 74.1 | 57% | 0.565 | 36% | 0.362 | S | S | * | . | trans | -66 | 108.8 | -174.7 | 25.7 | -34 | 0 | 0 | 0 | 110.9 | Y903 | P901-Y903 PolarHBondContact O-N 3.06Š| ||
| 902 | A | 55.4 | Low | 62.3 | Low | 47 Ų | 47 | 76.6 Ų | 76.6 | 39% | 0.388 | 38% | 0.375 | S | S | . | . | trans | -70.8 | 122.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | R891 R900 | R891-A902 HydrophobicContact CB-CB 4.48Å; R891-A902 VanDerWaalsContact CB-O 3.29Å; R891-A902 WeakPolarHBondContact CB-O 3.21Å; R891-A902 PolarHBondContact N-O 3.23Å; R900-A902 PolarHBondContact O-N 3.2Å | ||
| 903 | Y | 65.7 | Low | 63.4 | Low | 87 Ų | 87 | 81.3 Ų | 81.3 | 34% | 0.341 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 150.7 | 169.3 | 77.5 | -88.4 | 0 | 0 | 0 | 110.8 | L850 F889 P901 | L850-Y903 HydrophobicContact CD2-CD1 4.08Å; L850-Y903 HydrophobicContact CD2-CE1 3.96Å; L850-Y903 HydrophobicContact CD2-CG 4.44Å; F889-Y903 CarbonylContact O-C 3.56Å; F889-Y903 WeakPolarHBondContact O-CA 3.23Å; P901-Y903 PolarHBondContact O-N 3.06Å |
| 904 | I | 70.4 | Confident | 65 | Low | 52 Ų | 52 | 79 Ų | 79 | 27% | 0.267 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 124.7 | 172.4 | -63.8 | 178.7 | 0 | 0 | 0 | 107.7 | R888 F889 I906 F992 | R888-I904 CarbonylContact C-O 3.53Å; R888-I904 WeakPolarHBondContact CA-O 3.35Å; F889-I904 PolarHBondContact N-O 2.9Å; F889-I904 PolarHBondContact O-N 2.77Å; I904-I906 HydrophobicContact CG2-CD1 4.47Å; I904-I906 HydrophobicContact CG2-CG1 3.88Å; I904-F992 HydrophobicContact CD1-CB 4.14Å; I904-F992 HydrophobicContact CD1-CD2 3.44Å; I904-F992 VanDerWaalsContact CD1-CD2 3.44Å; I904-F992 HydrophobicContact CD1-CE2 3.88Å; I904-F992 HydrophobicContact CD1-CG 3.79Å |
| 905 | R | 77.5 | Confident | 66.9 | Low | 73 Ų | 73 | 75.6 Ų | 75.6 | 28% | 0.275 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 123.9 | 166 | 62 | 179.1 | 177.9 | 179.3 | -1.5 | 109.7 | E852 Y886 R888 | E852-R905 IonicContact OE1-NH1 2.96Å; E852-R905 PolarHBondContact OE1-NH1 2.88Å; Y886-R905 HydrophobicContact CD1-CB 4.35Å; R888-R905 HydrophobicContact CG-CB 4.35Å |
| 906 | I | 82.1 | Confident | 69.1 | Low | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 118.7 | 171.7 | -55.3 | -171 | 0 | 0 | 0 | 107.7 | Y886 I887 F889 I904 I911 Y934 L1072 | Y886-I906 WeakPolarHBondContact CA-O 3.42Å; I887-I906 PolarHBondContact N-O 2.77Å; I887-I906 PolarHBondContact O-N 2.89Å; F889-I906 HydrophobicContact CD2-CD1 4.2Å; F889-I906 HydrophobicContact CD2-CG1 4.28Å; F889-I906 HydrophobicContact CE2-CD1 3.75Å; F889-I906 HydrophobicContact CE2-CG1 4.06Å; I904-I906 HydrophobicContact CG2-CD1 4.47Å; I904-I906 HydrophobicContact CG2-CG1 3.88Å; I906-I911 HydrophobicContact CG2-CD1 4.4Å; I906-I911 HydrophobicContact CG2-CG1 3.96Å; I906-Y934 HydrophobicContact CD1-CD1 4.18Å; I906-Y934 HydrophobicContact CD1-CD2 4.3Å; I906-Y934 HydrophobicContact CD1-CE1 4.29Å; I906-Y934 HydrophobicContact CD1-CE2 4.39Å; I906-Y934 HydrophobicContact CD1-CG 4.2Å; I906-Y934 HydrophobicContact CG2-CD2 4.29Å; I906-Y934 HydrophobicContact CG2-CG 4.32Å; I906-L1072 HydrophobicContact CD1-CD1 3.8Å |
| 907 | P | 84.9 | Confident | 71 | Confident | 37 Ų | 37 | 64.7 Ų | 64.7 | 24% | 0.24 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 136.2 | 172 | -20.7 | 31.2 | 0 | 0 | 0 | 111.1 | Y886 L909 S910 P937 | Y886-P907 HydrophobicContact CD1-CB 4.17Å; Y886-P907 HydrophobicContact CD1-CG 4.06Å; Y886-P907 HydrophobicContact CE1-CB 4.27Å; Y886-P907 HydrophobicContact CE1-CG 4.03Å; P907-L909 PolarHBondContact O-N 3.17Å; P907-S910 PolarHBondContact O-N 3.28Å; P907-S910 PolarHBondContact O-OG 2.78Å; P907-P937 HydrophobicContact CG-CG 4.47Å |
| 908 | L | 84 | Confident | 72.7 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -59.6 | -32.2 | 177.5 | -76 | 169.3 | 0 | 0 | 0 | 112.3 | T883 D884 K885 I887 S910 I911 L1110 A1113 N1115 | T883-L908 WeakPolarHBondContact O-CD1 3.31Å; D884-L908 WeakPolarHBondContact O-CD1 3.42Å; K885-L908 PolarHBondContact O-N 3.03Å; I887-L908 HydrophobicContact CD1-CD2 3.9Å; I887-L908 HydrophobicContact CG1-CD2 3.65Å; I887-L908 HydrophobicContact CG1-CG 4.43Å; L908-S910 VanDerWaalsContact C-N 3.27Å; L908-S910 PolarHBondContact O-N 2.99Å; L908-I911 HydrophobicContact CD2-CD1 4.44Å; L908-I911 PolarHBondContact O-N 2.81Å; L908-L1110 HydrophobicContact CB-CD2 4.07Å; L908-L1110 HydrophobicContact CD2-CD2 3.78Å; L908-L1110 HydrophobicContact CD2-CG 3.94Å; L908-L1110 WeakPolarHBondContact O-CD2 3.37Å; L908-A1113 HydrophobicContact CB-CB 3.92Å; L908-A1113 HydrophobicContact CD1-CB 3.97Å; L908-N1115 PolarHBondContact O-ND2 3.49Å |
| 909 | L | 82.9 | Confident | 74.3 | Confident | 134 Ų | 134 | 51 Ų | 51 | 70% | 0.702 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -70.7 | -14.6 | 175.4 | -68.5 | 170 | 0 | 0 | 0 | 114.3 | P907 | P907-L909 PolarHBondContact O-N 3.17Š|
| 910 | S | 83.5 | Confident | 74.9 | Confident | 17 Ų | 17 | 51.6 Ų | 51.6 | 12% | 0.119 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -96.7 | -1.3 | 177.5 | 84.6 | 0 | 0 | 0 | 0 | 113.5 | P907 L908 Y934 K935 | P907-S910 PolarHBondContact O-N 3.28Å; P907-S910 PolarHBondContact O-OG 2.78Å; L908-S910 VanDerWaalsContact C-N 3.27Å; L908-S910 PolarHBondContact O-N 2.99Å; S910-Y934 CarbonylContact O-C 3.57Å; S910-Y934 WeakPolarHBondContact O-CA 3.17Å; S910-Y934 WeakPolarHBondContact O-CB 3.46Å; S910-K935 PolarHBondContact O-N 2.7Å |
| 911 | I | 85 | Confident | 75.3 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 131 | 172.5 | -60.5 | 179.8 | 0 | 0 | 0 | 108.3 | I887 I906 L908 I932 F933 L1110 N1115 L1117 | I887-I911 HydrophobicContact CD1-CD1 3.52Å; I887-I911 HydrophobicContact CG1-CD1 4.31Å; I906-I911 HydrophobicContact CG2-CD1 4.4Å; I906-I911 HydrophobicContact CG2-CG1 3.96Å; L908-I911 HydrophobicContact CD2-CD1 4.44Å; L908-I911 PolarHBondContact O-N 2.81Å; I911-I932 HydrophobicContact CD1-CG2 4.01Å; I911-I932 HydrophobicContact CG1-CG2 4.3Å; I911-I932 HydrophobicContact CG2-CG2 4.14Å; I911-F933 WeakPolarHBondContact CG2-O 3.38Å; I911-L1110 HydrophobicContact CB-CD2 4Å; I911-L1110 HydrophobicContact CD1-CD2 4.23Å; I911-L1110 HydrophobicContact CG2-CD1 4.38Å; I911-L1110 HydrophobicContact CG2-CD2 4.39Å; I911-N1115 PolarHBondContact O-ND2 3.09Å; I911-L1117 HydrophobicContact CG2-CD1 3.96Å; I911-L1117 WeakPolarHBondContact O-CD1 3.47Å |
| 912 | E | 84.9 | Confident | 75.1 | Confident | 81 Ų | 81 | 48.4 Ų | 48.4 | 38% | 0.379 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | -26.5 | -174.4 | -64.1 | -174.6 | 148.3 | 0 | 0 | 113 | F933 K935 Y1069 L1117 | E912-F933 PolarHBondContact N-O 3.45Å; E912-K935 HydrophobicContact CG-CB 4.34Å; E912-Y1069 VanDerWaalsContact OE2-CD1 3.23Å; E912-Y1069 WeakPolarHBondContact OE2-CD1 3.21Å; E912-Y1069 WeakPolarHBondContact OE2-CE1 3.01Å; E912-L1117 WeakPolarHBondContact O-CD2 3.28Å |
| 913 | R | 85 | Confident | 74.3 | Confident | 108 Ų | 108 | 54.8 Ų | 54.8 | 41% | 0.408 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 141 | -176.1 | 171.8 | -169.8 | -170.6 | 121.2 | -5.1 | 111 | E915 F933 I1120 | R913-E915 HydrophobicContact CG-CG 4.19Å; R913-E915 IonicContact CZ-OE1 3.47Å; R913-E915 IonicContact NE-OE1 2.74Å; R913-E915 PolarHBondContact NE-OE1 2.63Å; R913-E915 IonicContact NH2-OE1 3.36Å; R913-E915 PolarHBondContact NH2-OE1 3.21Å; R913-F933 HydrophobicContact CB-CB 3.91Å; R913-F933 HydrophobicContact CB-CD2 4.1Å; R913-F933 HydrophobicContact CB-CG 4.17Å; R913-F933 HydrophobicContact CG-CD2 3.9Å; R913-F933 HydrophobicContact CG-CE2 4.39Å; R913-F933 HydrophobicContact CG-CG 4.36Å; R913-F933 PolarHBondContact N-O 2.98Å; R913-F933 WeakPolarHBondContact O-CB 3.21Å; R913-F933 PolarHBondContact O-N 3.06Å; R913-I1120 HydrophobicContact CG-CD1 3.96Å |
| 914 | L | 88.1 | Confident | 73.5 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 121.7 | 173.7 | -163.1 | 68.2 | 0 | 0 | 0 | 109 | L930 I932 A1103 I1106 I1107 L1119 I1120 | L914-L930 HydrophobicContact CD1-CD1 3.89Å; L914-L930 HydrophobicContact CG-CD1 4.06Å; L914-I932 HydrophobicContact CD1-CB 4.29Å; L914-I932 HydrophobicContact CD1-CG1 3.74Å; L914-I932 HydrophobicContact CD1-CG2 4.38Å; L914-A1103 HydrophobicContact CD2-CB 3.93Å; L914-I1106 HydrophobicContact CD1-CG2 4.4Å; L914-I1106 HydrophobicContact CD2-CB 4.32Å; L914-I1106 HydrophobicContact CD2-CG2 4.02Å; L914-I1107 HydrophobicContact CD2-CD1 3.93Å; L914-I1107 HydrophobicContact CD2-CG1 3.78Å; L914-L1119 HydrophobicContact CB-CD1 4.31Å; L914-L1119 HydrophobicContact CD2-CD1 4.05Å; L914-L1119 HydrophobicContact CG-CD1 3.91Å; L914-I1120 PolarHBondContact O-N 3.26Å |
| 915 | E | 86.3 | Confident | 72.8 | Confident | 17 Ų | 17 | 60.7 Ų | 60.7 | 8% | 0.079 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 146.2 | 176.2 | -61.4 | -168.6 | 154 | 0 | 0 | 111.9 | R913 L930 R931 F933 I1120 | R913-E915 HydrophobicContact CG-CG 4.19Å; R913-E915 IonicContact CZ-OE1 3.47Å; R913-E915 IonicContact NE-OE1 2.74Å; R913-E915 PolarHBondContact NE-OE1 2.63Å; R913-E915 IonicContact NH2-OE1 3.36Å; R913-E915 PolarHBondContact NH2-OE1 3.21Å; E915-L930 WeakPolarHBondContact O-CA 3.44Å; E915-L930 WeakPolarHBondContact O-CD1 3.37Å; E915-R931 HydrophobicContact CB-CB 4.12Å; E915-R931 HydrophobicContact CB-CG 4.33Å; E915-R931 PolarHBondContact N-O 2.84Å; E915-R931 PolarHBondContact O-N 3.22Å; E915-R931 WeakPolarHBondContact OE2-CD 3.45Å; E915-R931 IonicContact OE2-CZ 2.89Å; E915-R931 IonicContact OE2-NH1 3.52Å; E915-R931 PolarHBondContact OE2-NH1 2.99Å; E915-F933 HydrophobicContact CB-CE2 4.33Å; E915-F933 HydrophobicContact CG-CD2 4.39Å; E915-F933 HydrophobicContact CG-CE2 3.69Å; E915-I1120 WeakPolarHBondContact CA-O 3.48Å; E915-I1120 HydrophobicContact CG-CB 4.19Å; E915-I1120 HydrophobicContact CG-CG2 4.45Å |
| 916 | L | 86.6 | Confident | 72.1 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 129.1 | 164.1 | -176.2 | 56.5 | 0 | 0 | 0 | 108.8 | L930 L1096 L1099 R1100 L1119 I1120 E1121 T1122 | L916-L930 HydrophobicContact CD1-CB 4.44Å; L916-L1096 HydrophobicContact CD1-CD1 4.12Å; L916-L1096 HydrophobicContact CD2-CD1 3.65Å; L916-L1096 HydrophobicContact CG-CD1 3.77Å; L916-L1099 HydrophobicContact CD1-CB 3.69Å; L916-L1099 HydrophobicContact CD1-CD1 3.77Å; L916-L1099 HydrophobicContact CD1-CG 4.37Å; L916-L1099 HydrophobicContact CD2-CB 4.38Å; L916-R1100 HydrophobicContact CD2-CB 4.31Å; L916-R1100 HydrophobicContact CD2-CG 3.43Å; L916-R1100 VanDerWaalsContact CD2-CG 3.43Å; L916-L1119 HydrophobicContact CB-CD1 4.05Å; L916-L1119 HydrophobicContact CB-CD2 4.4Å; L916-L1119 HydrophobicContact CB-CG 4.43Å; L916-L1119 HydrophobicContact CD2-CD2 4.35Å; L916-I1120 PolarHBondContact N-O 3.42Å; L916-E1121 WeakPolarHBondContact O-CA 3.36Å; L916-T1122 PolarHBondContact O-N 3.17Å; L916-T1122 PolarHBondContact O-OG1 3.3Å |
| 917 | G | 79.5 | Confident | 71.6 | Confident | 2 Ų | 2 | 68 Ų | 68 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | -178.8 | -170 | 0 | 0 | 0 | 0 | 0 | 115 | F928 V929 T1122 | G917-F928 CarbonylContact O-C 3.5Å; G917-F928 VanDerWaalsContact O-CA 3.27Å; G917-F928 WeakPolarHBondContact O-CA 3.47Å; G917-V929 PolarHBondContact N-O 2.87Å; G917-V929 PolarHBondContact O-N 2.92Å; G917-T1122 WeakPolarHBondContact CA-OG1 3.43Å |
| 918 | L | 74.3 | Confident | 71.5 | Confident | 41 Ų | 41 | 67.9 Ų | 67.9 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 154.2 | 166 | -71.7 | 173 | 0 | 0 | 0 | 110.9 | F928 R931 P1124 | L918-F928 HydrophobicContact CD2-CD1 3.79Å; L918-F928 HydrophobicContact CD2-CE1 3.7Å; L918-F928 HydrophobicContact CD2-CG 4.41Å; L918-F928 HydrophobicContact CD2-CZ 4.26Å; L918-F928 HydrophobicContact CG-CD1 4.29Å; L918-F928 HydrophobicContact CG-CE1 4.13Å; L918-R931 PolarHBondContact O-NH2 3.01Å; L918-P1124 HydrophobicContact CD1-CB 3.99Å |
| 919 | E | 71 | Confident | 71.5 | Confident | 39 Ų | 39 | 67.8 Ų | 67.8 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | trans | -48.6 | 135.9 | 163.1 | 151.7 | -170.1 | 133.2 | 0 | 0 | 111.6 | Y866 A921 S925 N927 V929 | Y866-E919 HydrophobicContact CE2-CB 4.44Å; Y866-E919 WeakPolarHBondContact OH-CG 3.32Å; Y866-E919 PolarHBondContact OH-OE2 3.44Å; E919-A921 HydrophobicContact CG-CB 3.75Å; E919-A921 PolarHBondContact O-N 3.32Å; E919-A921 WeakPolarHBondContact OE1-CB 3.3Å; E919-S925 WeakPolarHBondContact O-CB 3.36Å; E919-S925 PolarHBondContact O-OG 3.31Å; E919-N927 PolarHBondContact N-O 2.88Å; E919-V929 HydrophobicContact CB-CG2 4.25Å | ||
| 920 | P | 55.6 | Low | 71.7 | Confident | 100 Ų | 100 | 61.4 Ų | 61.4 | 65% | 0.649 | 29% | 0.294 | S | S | * | . | trans | -84 | 55.9 | -177.1 | 36.1 | -34.7 | 0 | 0 | 0 | 112.1 | ||||
| 921 | A | 52.4 | Low | 71.9 | Confident | 42 Ų | 42 | 61.8 Ų | 61.8 | 35% | 0.347 | 29% | 0.293 | S | S | . | . | trans | -101 | 132.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | E919 F923 | E919-A921 HydrophobicContact CG-CB 3.75Å; E919-A921 PolarHBondContact O-N 3.32Å; E919-A921 WeakPolarHBondContact OE1-CB 3.3Å; A921-F923 PolarHBondContact O-N 3.16Å; A921-F923 VanDerWaalsContact O-N 3.1Å | ||
| 922 | I | 42.5 | Very low | 72 | Confident | 126 Ų | 126 | 61.6 Ų | 61.6 | 65% | 0.646 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -18.6 | -173.4 | -65.2 | 165.8 | 0 | 0 | 0 | 112.8 | F1003 | I922-F1003 HydrophobicContact CD1-CD2 4.08Å; I922-F1003 HydrophobicContact CD1-CE2 3.68Å |
| 923 | F | 37.1 | Very low | 72 | Confident | 182 Ų | 182 | 59.2 Ų | 59.2 | 80% | 0.798 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.6 | 113.5 | 170.5 | -73.1 | -82.5 | 0 | 0 | 0 | 112.6 | A921 | A921-F923 PolarHBondContact O-N 3.16Å; A921-F923 VanDerWaalsContact O-N 3.1Å |
| 924 | R | 49.1 | Very low | 71.9 | Confident | 232 Ų | 232 | 55.7 Ų | 55.7 | 88% | 0.875 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 56.2 | 165.7 | -55.3 | 179 | 178.6 | 163.5 | 0.2 | 116.1 | ||
| 925 | S | 55.7 | Low | 71.3 | Confident | 31 Ų | 31 | 61.2 Ų | 61.2 | 22% | 0.217 | 29% | 0.291 | C | S | . | . | trans | -57 | 142.5 | 158.2 | 41.7 | 0 | 0 | 0 | 0 | 111.1 | E919 | E919-S925 WeakPolarHBondContact O-CB 3.36Å; E919-S925 PolarHBondContact O-OG 3.31Å | ||
| 926 | K | 64.1 | Low | 70.2 | Confident | 179 Ų | 179 | 63.5 Ų | 63.5 | 78% | 0.778 | 31% | 0.306 | S | S | * | . | trans | -121.8 | -18.8 | 179.5 | -74.7 | -172 | 173.3 | -171.2 | 0 | 114 | ||||
| 927 | N | 72.2 | Confident | 68.8 | Low | 50 Ų | 50 | 65.5 Ų | 65.5 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | trans | -105 | 140.6 | -168.4 | -61.7 | 3.2 | 0 | 0 | 0 | 109.8 | F869 E919 L1075 | F869-N927 WeakPolarHBondContact CE1-ND2 3.48Å; E919-N927 PolarHBondContact N-O 2.88Å; N927-L1075 HydrophobicContact CB-CD2 3.93Å | ||
| 928 | F | 81.2 | Confident | 67.5 | Low | 35 Ų | 35 | 70.9 Ų | 70.9 | 15% | 0.154 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 140.5 | 167.8 | -64.4 | -74.4 | 0 | 0 | 0 | 110.2 | G917 L918 L1075 L1096 L1099 | G917-F928 CarbonylContact O-C 3.5Å; G917-F928 VanDerWaalsContact O-CA 3.27Å; G917-F928 WeakPolarHBondContact O-CA 3.47Å; L918-F928 HydrophobicContact CD2-CD1 3.79Å; L918-F928 HydrophobicContact CD2-CE1 3.7Å; L918-F928 HydrophobicContact CD2-CG 4.41Å; L918-F928 HydrophobicContact CD2-CZ 4.26Å; L918-F928 HydrophobicContact CG-CD1 4.29Å; L918-F928 HydrophobicContact CG-CE1 4.13Å; F928-L1075 VanDerWaalsContact O-CD2 3.24Å; F928-L1075 WeakPolarHBondContact O-CD2 3.39Å; F928-L1096 HydrophobicContact CB-CD1 4.18Å; F928-L1096 HydrophobicContact CD1-CD1 3.79Å; F928-L1096 HydrophobicContact CD2-CB 3.73Å; F928-L1096 HydrophobicContact CD2-CD1 4.36Å; F928-L1096 HydrophobicContact CD2-CG 4.47Å; F928-L1096 HydrophobicContact CE1-CD1 4.21Å; F928-L1096 HydrophobicContact CE1-CD2 4.15Å; F928-L1096 HydrophobicContact CE2-CB 3.95Å; F928-L1096 HydrophobicContact CE2-CD2 4.29Å; F928-L1096 HydrophobicContact CG-CB 4.09Å; F928-L1096 HydrophobicContact CG-CD1 3.86Å; F928-L1096 HydrophobicContact CG-CG 4.45Å; F928-L1096 HydrophobicContact CZ-CB 4.49Å; F928-L1096 HydrophobicContact CZ-CD2 4.02Å; F928-L1099 HydrophobicContact CB-CD1 4.07Å; F928-L1099 WeakPolarHBondContact O-CD1 3.49Å |
| 929 | V | 84.3 | Confident | 65.9 | Low | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 131.3 | -172.9 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | Y866 G917 E919 R931 E1073 F1074 L1075 | Y866-V929 HydrophobicContact CD2-CG2 4.1Å; Y866-V929 HydrophobicContact CE2-CG2 4.33Å; Y866-V929 HydrophobicContact CG-CG1 4.5Å; Y866-V929 HydrophobicContact CG-CG2 4.39Å; G917-V929 PolarHBondContact N-O 2.87Å; G917-V929 PolarHBondContact O-N 2.92Å; E919-V929 HydrophobicContact CB-CG2 4.25Å; V929-R931 HydrophobicContact CG1-CG 4.47Å; V929-E1073 HydrophobicContact CG1-CB 3.69Å; V929-E1073 HydrophobicContact CG1-CG 4.05Å; V929-F1074 WeakPolarHBondContact CA-O 3.13Å; V929-L1075 HydrophobicContact CG2-CD2 3.93Å |
| 930 | L | 88.1 | Confident | 64.1 | Low | 0 Ų | 0 | 83.6 Ų | 83.6 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 125.3 | 167.8 | 175.1 | 62 | 0 | 0 | 0 | 108.6 | L914 E915 L916 F1074 L1099 V1102 A1103 I1106 | L914-L930 HydrophobicContact CD1-CD1 3.89Å; L914-L930 HydrophobicContact CG-CD1 4.06Å; E915-L930 WeakPolarHBondContact O-CA 3.44Å; E915-L930 WeakPolarHBondContact O-CD1 3.37Å; L916-L930 HydrophobicContact CD1-CB 4.44Å; L930-F1074 PolarHBondContact N-O 2.91Å; L930-F1074 PolarHBondContact O-N 2.88Å; L930-L1099 HydrophobicContact CB-CD2 3.99Å; L930-V1102 HydrophobicContact CD2-CG1 3.95Å; L930-A1103 HydrophobicContact CD1-CB 3.8Å; L930-I1106 HydrophobicContact CD2-CD1 4.4Å |
| 931 | R | 86.9 | Confident | 63 | Low | 24 Ų | 24 | 82.2 Ų | 82.2 | 9% | 0.091 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 128.3 | 175.1 | -45.9 | -166.1 | 175.8 | 86.7 | 20.3 | 111.1 | E915 L918 V929 F933 L1072 E1073 | E915-R931 HydrophobicContact CB-CB 4.12Å; E915-R931 HydrophobicContact CB-CG 4.33Å; E915-R931 PolarHBondContact N-O 2.84Å; E915-R931 PolarHBondContact O-N 3.22Å; E915-R931 WeakPolarHBondContact OE2-CD 3.45Å; E915-R931 IonicContact OE2-CZ 2.89Å; E915-R931 IonicContact OE2-NH1 3.52Å; E915-R931 PolarHBondContact OE2-NH1 2.99Å; L918-R931 PolarHBondContact O-NH2 3.01Å; V929-R931 HydrophobicContact CG1-CG 4.47Å; R931-F933 HydrophobicContact CB-CD2 4.15Å; R931-F933 HydrophobicContact CB-CE2 3.6Å; R931-F933 HydrophobicContact CB-CZ 4.38Å; R931-F933 HydrophobicContact CG-CE2 4.42Å; R931-L1072 VanDerWaalsContact CA-O 3.31Å; R931-L1072 WeakPolarHBondContact CA-O 3.11Å; R931-E1073 HydrophobicContact CG-CG 4.11Å; R931-E1073 IonicContact CZ-OE1 3.61Å; R931-E1073 IonicContact NE-OE1 2.78Å; R931-E1073 PolarHBondContact NE-OE1 3.18Å; R931-E1073 IonicContact NH2-OE1 3.79Å; R931-E1073 PolarHBondContact NH2-OE1 3.13Å |
| 932 | I | 87.2 | Confident | 62 | Low | 0 Ų | 0 | 84.7 Ų | 84.7 | 0% | 0 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 107.9 | 174.8 | -48.8 | 179.7 | 0 | 0 | 0 | 107.4 | F889 I911 L914 F1071 L1072 F1074 I1106 | F889-I932 HydrophobicContact CE1-CD1 4.07Å; F889-I932 HydrophobicContact CZ-CD1 3.64Å; I911-I932 HydrophobicContact CD1-CG2 4.01Å; I911-I932 HydrophobicContact CG1-CG2 4.3Å; I911-I932 HydrophobicContact CG2-CG2 4.14Å; L914-I932 HydrophobicContact CD1-CB 4.29Å; L914-I932 HydrophobicContact CD1-CG1 3.74Å; L914-I932 HydrophobicContact CD1-CG2 4.38Å; I932-F1071 CarbonylContact O-C 3.53Å; I932-F1071 WeakPolarHBondContact O-CA 3.46Å; I932-L1072 PolarHBondContact N-O 3.47Å; I932-L1072 PolarHBondContact O-N 2.71Å; I932-F1074 HydrophobicContact CD1-CD2 4.13Å; I932-F1074 HydrophobicContact CD1-CE2 3.96Å; I932-F1074 HydrophobicContact CG1-CD2 4.47Å; I932-I1106 HydrophobicContact CD1-CD1 4.09Å |
| 933 | F | 85.4 | Confident | 61.4 | Low | 31 Ų | 31 | 86.1 Ų | 86.1 | 14% | 0.136 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 133.4 | 175.7 | -64.9 | -104.5 | 0 | 0 | 0 | 109.5 | I911 E912 R913 E915 R931 H1070 F1071 | I911-F933 WeakPolarHBondContact CG2-O 3.38Å; E912-F933 PolarHBondContact N-O 3.45Å; R913-F933 HydrophobicContact CB-CB 3.91Å; R913-F933 HydrophobicContact CB-CD2 4.1Å; R913-F933 HydrophobicContact CB-CG 4.17Å; R913-F933 HydrophobicContact CG-CD2 3.9Å; R913-F933 HydrophobicContact CG-CE2 4.39Å; R913-F933 HydrophobicContact CG-CG 4.36Å; R913-F933 PolarHBondContact N-O 2.98Å; R913-F933 WeakPolarHBondContact O-CB 3.21Å; R913-F933 PolarHBondContact O-N 3.06Å; E915-F933 HydrophobicContact CB-CE2 4.33Å; E915-F933 HydrophobicContact CG-CD2 4.39Å; E915-F933 HydrophobicContact CG-CE2 3.69Å; R931-F933 HydrophobicContact CB-CD2 4.15Å; R931-F933 HydrophobicContact CB-CE2 3.6Å; R931-F933 HydrophobicContact CB-CZ 4.38Å; R931-F933 HydrophobicContact CG-CE2 4.42Å; F933-H1070 WeakPolarHBondContact CA-O 3.41Å; F933-F1071 HydrophobicContact CB-CB 4.47Å; F933-F1071 HydrophobicContact CD1-CB 3.67Å; F933-F1071 HydrophobicContact CD1-CD1 4.39Å; F933-F1071 HydrophobicContact CD1-CG 4.28Å; F933-F1071 HydrophobicContact CD2-CB 4.35Å; F933-F1071 HydrophobicContact CE1-CB 3.89Å; F933-F1071 HydrophobicContact CE1-CD1 4.04Å; F933-F1071 HydrophobicContact CE1-CG 4.03Å; F933-F1071 HydrophobicContact CG-CB 3.91Å; F933-F1071 HydrophobicContact CZ-CB 4.32Å; F933-F1071 HydrophobicContact CZ-CG 4.41Å |
| 934 | Y | 81.8 | Confident | 60.9 | Low | 35 Ų | 35 | 85.8 Ų | 85.8 | 14% | 0.137 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 148.1 | -176.5 | 69.7 | -75 | 0 | 0 | 0 | 111.5 | I906 S910 V936 H1070 L1072 | I906-Y934 HydrophobicContact CD1-CD1 4.18Å; I906-Y934 HydrophobicContact CD1-CD2 4.3Å; I906-Y934 HydrophobicContact CD1-CE1 4.29Å; I906-Y934 HydrophobicContact CD1-CE2 4.39Å; I906-Y934 HydrophobicContact CD1-CG 4.2Å; I906-Y934 HydrophobicContact CG2-CD2 4.29Å; I906-Y934 HydrophobicContact CG2-CG 4.32Å; S910-Y934 CarbonylContact O-C 3.57Å; S910-Y934 WeakPolarHBondContact O-CA 3.17Å; S910-Y934 WeakPolarHBondContact O-CB 3.46Å; Y934-V936 HydrophobicContact CE2-CG2 4.23Å; Y934-H1070 HydrophobicContact CD1-CB 4.38Å; Y934-H1070 HydrophobicContact CE1-CB 3.91Å; Y934-H1070 HydrophobicContact CE2-CB 4.43Å; Y934-H1070 PolarHBondContact N-O 2.74Å; Y934-L1072 HydrophobicContact CE1-CG 4.05Å |
| 935 | K | 75.5 | Confident | 59.9 | Low | 115 Ų | 115 | 79 Ų | 79 | 50% | 0.5 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 132.6 | 166.1 | -165 | -178.6 | 175.7 | -162.7 | 0 | 108.7 | S910 E912 P937 | S910-K935 PolarHBondContact O-N 2.7Å; E912-K935 HydrophobicContact CG-CB 4.34Å; K935-P937 WeakPolarHBondContact O-CD 3.45Å |
| 936 | V | 64.2 | Low | 58.6 | Low | 66 Ų | 66 | 83 Ų | 83 | 40% | 0.4 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 127.4 | 170 | 178.3 | 0 | 0 | 0 | 0 | 108.1 | Y934 H1070 | Y934-V936 HydrophobicContact CE2-CG2 4.23Å; V936-H1070 HydrophobicContact CG2-CB 4.27Å |
| 937 | P | 57.4 | Low | 56.8 | Low | 46 Ų | 46 | 77.6 Ų | 77.6 | 30% | 0.299 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 135.7 | 172.8 | -21.4 | 33.9 | 0 | 0 | 0 | 110.7 | P907 K935 S941 | P907-P937 HydrophobicContact CG-CG 4.47Å; K935-P937 WeakPolarHBondContact O-CD 3.45Å; P937-S941 WeakPolarHBondContact CB-OG 3.24Å |
| 938 | D | 51 | Low | 54.8 | Low | 115 Ų | 115 | 80.8 Ų | 80.8 | 62% | 0.615 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 141.1 | 179.5 | -61.1 | -65.4 | 0 | 0 | 0 | 110.5 | N940 S941 | D938-N940 PolarHBondContact O-N 3.07Å; D938-S941 WeakPolarHBondContact O-CB 3.26Å; D938-S941 PolarHBondContact O-N 3.42Å; D938-S941 PolarHBondContact O-OG 2.9Å |
| 939 | E | 41.1 | Very low | 52.3 | Low | 174 Ų | 174 | 83.8 Ų | 83.8 | 81% | 0.813 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -53.6 | -29.3 | -162.9 | -62.6 | -171.4 | 143.6 | 0 | 0 | 114.7 | S941 I942 | E939-S941 PolarHBondContact O-N 3.45Å; E939-I942 PolarHBondContact O-N 3.12Å |
| 940 | N | 32.7 | Very low | 49.6 | Very low | 172 Ų | 172 | 89.2 Ų | 89.2 | 92% | 0.92 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -66.9 | -12.8 | 177.4 | -65.8 | -27.1 | 0 | 0 | 0 | 114.5 | D938 | D938-N940 PolarHBondContact O-N 3.07Š|
| 941 | S | 34 | Very low | 46.5 | Very low | 72 Ų | 72 | 97.1 Ų | 97.1 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -91.5 | -8.8 | 176.2 | 64.9 | 0 | 0 | 0 | 0 | 113.7 | P937 D938 E939 Q943 | P937-S941 WeakPolarHBondContact CB-OG 3.24Å; D938-S941 WeakPolarHBondContact O-CB 3.26Å; D938-S941 PolarHBondContact O-N 3.42Å; D938-S941 PolarHBondContact O-OG 2.9Å; E939-S941 PolarHBondContact O-N 3.45Å; S941-Q943 PolarHBondContact O-N 3.07Å; S941-Q943 VanDerWaalsContact O-N 3.08Å |
| 942 | I | 30.8 | Very low | 43.7 | Very low | 94 Ų | 94 | 101 Ų | 101 | 48% | 0.482 | 54% | 0.543 | S | S | . | . | trans | -83.3 | 87.1 | 180 | -53.5 | 177.7 | 0 | 0 | 0 | 109.1 | E939 K944 | E939-I942 PolarHBondContact O-N 3.12Å; I942-K944 PolarHBondContact O-N 2.96Å | ||
| 943 | Q | 29.9 | Very low | 40.7 | Very low | 156 Ų | 156 | 108.9 Ų | 108.9 | 73% | 0.729 | 58% | 0.58 | S | S | * | * | trans | -57.5 | 113.4 | 163.4 | -88 | -172.6 | -17.3 | 0 | 0 | 109.5 | S941 S945 | S941-Q943 PolarHBondContact O-N 3.07Å; S941-Q943 VanDerWaalsContact O-N 3.08Å; Q943-S945 PolarHBondContact O-N 3.39Å | ||
| 944 | K | 26.6 | Very low | 37.8 | Very low | 175 Ų | 175 | 114.1 Ų | 114.1 | 76% | 0.761 | 61% | 0.605 | S | S | * | * | trans | -77.9 | 81.6 | -179.7 | -66.1 | 172.4 | -178.2 | 169.9 | 0 | 110.5 | I942 T946 | I942-K944 PolarHBondContact O-N 2.96Å; K944-T946 PolarHBondContact O-N 2.85Å | ||
| 945 | S | 28.5 | Very low | 35.4 | Very low | 89 Ų | 89 | 118.9 Ų | 118.9 | 62% | 0.622 | 64% | 0.637 | S | S | * | * | trans | -72.6 | 78.4 | 166.3 | 61.8 | 0 | 0 | 0 | 0 | 109.9 | Q943 | Q943-S945 PolarHBondContact O-N 3.39Š| ||
| 946 | T | 27.2 | Very low | 33 | Very low | 114 Ų | 114 | 118.5 Ų | 118.5 | 70% | 0.699 | 65% | 0.647 | S | S | * | * | trans | -65.7 | 143.2 | 175.4 | 38.5 | 0 | 0 | 0 | 0 | 111.7 | K944 | K944-T946 PolarHBondContact O-N 2.85Š| ||
| 947 | S | 27.7 | Very low | 31.1 | Very low | 66 Ų | 66 | 124.3 Ų | 124.3 | 46% | 0.462 | 67% | 0.667 | S | S | . | * | trans | 44.9 | 91.3 | 161.7 | 49.2 | 0 | 0 | 0 | 0 | 117.3 | D949 | S947-D949 PolarHBondContact O-N 3.3Š| ||
| 948 | M | 30.1 | Very low | 29.6 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 58% | 0.581 | 70% | 0.697 | S | S | * | * | trans | -71.2 | 107.4 | 143.1 | -81 | -174.8 | 172.1 | 0 | 0 | 108.4 | L950 | M948-L950 PolarHBondContact O-N 3.3Š| ||
| 949 | D | 27.7 | Very low | 28.4 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 52% | 0.519 | 71% | 0.705 | S | S | . | * | trans | -86.3 | 102.9 | 168.7 | -82.1 | -50.1 | 0 | 0 | 0 | 110.5 | R900 S947 N951 | R900-D949 IonicContact CZ-OD1 2.78Å; R900-D949 IonicContact NH2-OD1 3.63Å; R900-D949 PolarHBondContact NH2-OD1 3.05Å; R900-D949 IonicContact NH2-OD2 2.79Å; S947-D949 PolarHBondContact O-N 3.3Å; D949-N951 PolarHBondContact O-N 2.99Å | ||
| 950 | L | 27.1 | Very low | 27.4 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 60% | 0.597 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -77.8 | 48.1 | 176.5 | -72.3 | 162.5 | 0 | 0 | 0 | 111.4 | M948 | M948-L950 PolarHBondContact O-N 3.3Š|
| 951 | N | 23.9 | Very low | 27.1 | Very low | 166 Ų | 166 | 125.5 Ų | 125.5 | 89% | 0.888 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -175.5 | 67.1 | 166.7 | -96.9 | -14.5 | 0 | 0 | 0 | 112.9 | D949 | D949-N951 PolarHBondContact O-N 2.99Š|
| 952 | S | 27.3 | Very low | 26.6 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | trans | -156.9 | 165.9 | 159.1 | 52.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 953 | Q | 25.1 | Very low | 26.4 | Very low | 167 Ų | 167 | 132.2 Ų | 132.2 | 78% | 0.78 | 72% | 0.717 | S | S | * | * | trans | -106.2 | 175.6 | -166.8 | -56.6 | -176.9 | -23.9 | 0 | 0 | 113.8 | ||||
| 954 | Q | 24.5 | Very low | 26.1 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 65% | 0.654 | 72% | 0.717 | S | S | * | * | trans | 75.8 | 99.8 | 157.1 | -64.6 | 168.8 | 28.3 | 0 | 0 | 117.8 | ||||
| 955 | T | 30.8 | Very low | 25.9 | Very low | 135 Ų | 135 | 127 Ų | 127 | 83% | 0.828 | 72% | 0.72 | S | S | * | * | trans | -59.3 | 153.3 | 147.9 | 49.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 956 | P | 25.3 | Very low | 25.8 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | -147.6 | 138 | 125 | 33 | -15.4 | 0 | 0 | 0 | 117.7 | |||||
| 957 | F | 24.8 | Very low | 25.7 | Very low | 188 Ų | 188 | 130.2 Ų | 130.2 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | trans | 48.4 | 125.3 | 134.2 | -74.1 | -100.5 | 0 | 0 | 0 | 123.9 | ||||
| 958 | Q | 25.3 | Very low | 25.5 | Very low | 196 Ų | 196 | 135 Ų | 135 | 92% | 0.916 | 75% | 0.754 | S | S | * | * | -159.4 | 144.1 | 125.5 | -95.1 | 175.4 | 17.7 | 0 | 0 | 106 | |||||
| 959 | S | 25.1 | Very low | 25.3 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | S | Bend | cis | -155.1 | 171.6 | -11.6 | 62 | 0 | 0 | 0 | 0 | 106.1 | ||
| 960 | S | 21.5 | Very low | 25.2 | Very low | 93 Ų | 93 | 141 Ų | 141 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | S | Bend | cis | -93.5 | 146.7 | 16.7 | 52.4 | 0 | 0 | 0 | 0 | 115.4 | ||
| 961 | D | 26.5 | Very low | 25.1 | Very low | 130 Ų | 130 | 143.5 Ų | 143.5 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | trans | 61.6 | 92.9 | 153.5 | -47.6 | -22.7 | 0 | 0 | 0 | 117.5 | ||||
| 962 | L | 23.9 | Very low | 25.1 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | 80.3 | 96.7 | 70 | -71.6 | 166.1 | 0 | 0 | 0 | 113.7 | |||||
| 963 | N | 25.9 | Very low | 24.9 | Very low | 167 Ų | 167 | 145.2 Ų | 145.2 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | -164.9 | 144.7 | 105.5 | -94.6 | -32.4 | 0 | 0 | 0 | 111.2 | |||||
| 964 | S | 22.5 | Very low | 24.9 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -141.5 | 116.1 | -163.5 | 56.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 965 | S | 23.5 | Very low | 24.8 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -177.8 | 93.5 | 160.4 | 51.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 966 | S | 25.2 | Very low | 24.5 | Very low | 126 Ų | 126 | 144.7 Ų | 144.7 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -178 | 24.9 | 155.2 | 52.6 | 0 | 0 | 0 | 0 | 118.1 | ||
| 967 | L | 26.1 | Very low | 24.4 | Very low | 144 Ų | 144 | 145 Ų | 145 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -144.5 | 41.6 | 173.6 | -114.5 | 173.2 | 0 | 0 | 0 | 114.3 | ||
| 968 | L | 24.2 | Very low | 24.3 | Very low | 167 Ų | 167 | 142.7 Ų | 142.7 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -142.5 | 37.1 | -175.6 | -127.7 | 174.6 | 0 | 0 | 0 | 113.6 | ||||
| 969 | K | 24.8 | Very low | 24.1 | Very low | 196 Ų | 196 | 139.1 Ų | 139.1 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | trans | -143.1 | 145.1 | 168.1 | -73.7 | -174.8 | 178.1 | 173.9 | 0 | 108.8 | ||||
| 970 | Q | 24.9 | Very low | 24.1 | Very low | 144 Ų | 144 | 138 Ų | 138 | 67% | 0.673 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 68.3 | 117.1 | -157.3 | -48.6 | -176.7 | 11.3 | 0 | 0 | 111.5 | F1394 | Q970-F1394 VanDerWaalsContact NE2-CE1 3.29Š|
| 971 | M | 25.8 | Very low | 24.3 | Very low | 167 Ų | 167 | 140.8 Ų | 140.8 | 82% | 0.823 | 79% | 0.787 | S | S | * | * | cis | -131.9 | 99.2 | 6.2 | -67.8 | -174.5 | 171.9 | 0 | 0 | 113.1 | ||||
| 972 | E | 23.6 | Very low | 24.1 | Very low | 203 Ų | 203 | 142.3 Ų | 142.3 | 95% | 0.949 | 79% | 0.794 | S | S | * | * | trans | -107.7 | 80.5 | 153.2 | -76.9 | -165.7 | 126.9 | 0 | 0 | 109 | ||||
| 973 | S | 24.1 | Very low | 24.2 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -163.4 | 57.5 | 179.3 | 65.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 974 | S | 24.8 | Very low | 24.3 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -162.2 | 63.9 | 163.2 | 46 | 0 | 0 | 0 | 0 | 114.5 | I976 | S974-I976 PolarHBondContact O-N 3.03Š| ||
| 975 | N | 22.4 | Very low | 24.3 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 94% | 0.936 | 79% | 0.793 | S | S | * | * | trans | -65.8 | 95.2 | 162.7 | -88.6 | -39 | 0 | 0 | 0 | 110.3 | ||||
| 976 | I | 24.1 | Very low | 24.6 | Very low | 147 Ų | 147 | 144.2 Ų | 144.2 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | -124.6 | 107.8 | 165.3 | -60.6 | -176.3 | 0 | 0 | 0 | 109.1 | S974 I978 | S974-I976 PolarHBondContact O-N 3.03Å; I976-I978 HydrophobicContact CG2-CD1 4.2Å | ||
| 977 | S | 22.9 | Very low | 24.7 | Very low | 114 Ų | 114 | 147 Ų | 147 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -80.3 | 122.4 | 179.8 | 54.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 978 | I | 22.9 | Very low | 24.8 | Very low | 141 Ų | 141 | 143.8 Ų | 143.8 | 72% | 0.723 | 76% | 0.762 | S | S | * | * | trans | -130 | 127.4 | 147.2 | -73.4 | 93.3 | 0 | 0 | 0 | 108.7 | I976 S980 | I976-I978 HydrophobicContact CG2-CD1 4.2Å; I978-S980 PolarHBondContact O-N 3.22Å | ||
| 979 | S | 22.1 | Very low | 25.2 | Very low | 121 Ų | 121 | 141.9 Ų | 141.9 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | trans | -90.6 | 91 | -175.5 | 55.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 980 | S | 23.5 | Very low | 25.5 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 61% | 0.608 | 73% | 0.729 | S | S | * | * | trans | -160.9 | 63.9 | 173.3 | 63.1 | 0 | 0 | 0 | 0 | 116.1 | I978 | I978-S980 PolarHBondContact O-N 3.22Š| ||
| 981 | H | 25.7 | Very low | 25.9 | Very low | 152 Ų | 152 | 133.6 Ų | 133.6 | 70% | 0.704 | 72% | 0.723 | S | S | * | * | trans | -172.7 | 86.1 | 148.1 | -96.9 | -46.3 | 0 | 0 | 0 | 112.2 | ||||
| 982 | I | 24.2 | Very low | 26.3 | Very low | 162 Ų | 162 | 127 Ų | 127 | 83% | 0.831 | 69% | 0.69 | S | S | * | * | trans | -90.6 | -10.5 | 176.3 | -70.2 | 172.6 | 0 | 0 | 0 | 112.1 | R984 | I982-R984 PolarHBondContact O-N 3.27Š| ||
| 983 | D | 25.4 | Very low | 26.6 | Very low | 151 Ų | 151 | 119.2 Ų | 119.2 | 81% | 0.807 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 29.7 | -165.9 | -78.6 | -44.4 | 0 | 0 | 0 | 117.2 | ||
| 984 | R | 26.7 | Very low | 27 | Very low | 174 Ų | 174 | 122.1 Ų | 122.1 | 66% | 0.657 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.9 | 8.2 | 179.5 | -71.4 | -172.5 | 175.1 | 176.2 | 0.1 | 116.7 | I982 S986 | I982-R984 PolarHBondContact O-N 3.27Å; R984-S986 PolarHBondContact O-N 2.93Å |
| 985 | M | 23.2 | Very low | 27.3 | Very low | 177 Ų | 177 | 118 Ų | 118 | 87% | 0.872 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 101.7 | 167 | -73.2 | 171.6 | 55.1 | 0 | 0 | 111.1 | ||
| 986 | S | 30 | Very low | 27.7 | Very low | 68 Ų | 68 | 111.4 Ų | 111.4 | 48% | 0.476 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 176 | -18.9 | 166.4 | 45.8 | 0 | 0 | 0 | 0 | 114.9 | R984 A988 V990 | R984-S986 PolarHBondContact O-N 2.93Å; S986-A988 VanDerWaalsContact C-N 3.35Å; S986-A988 PolarHBondContact O-N 3.25Å; S986-V990 VanDerWaalsContact O-CG2 3.29Å; S986-V990 WeakPolarHBondContact O-CG2 3.38Å; S986-V990 PolarHBondContact O-N 2.83Å |
| 987 | R | 27.8 | Very low | 27.8 | Very low | 184 Ų | 184 | 111.8 Ų | 111.8 | 69% | 0.694 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -18.3 | -162.5 | -104 | 177.9 | 163.1 | 92 | -5.8 | 116.6 | ||
| 988 | A | 28.6 | Very low | 28.1 | Very low | 77 Ų | 77 | 112.8 Ų | 112.8 | 64% | 0.636 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -54.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S986 V990 L991 | S986-A988 VanDerWaalsContact C-N 3.35Å; S986-A988 PolarHBondContact O-N 3.25Å; A988-V990 PolarHBondContact O-N 3.2Å; A988-L991 PolarHBondContact O-N 2.83Å; A988-L991 VanDerWaalsContact O-N 3.15Å |
| 989 | D | 31 | Very low | 28.1 | Very low | 127 Ų | 127 | 109.8 Ų | 109.8 | 68% | 0.679 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -27.6 | -178.1 | -50.8 | -78.4 | 0 | 0 | 0 | 112.3 | L991 F992 G993 | D989-L991 PolarHBondContact O-N 2.91Å; D989-F992 PolarHBondContact O-N 2.69Å; D989-G993 VanDerWaalsContact O-CA 3.27Å; D989-G993 WeakPolarHBondContact O-CA 3.31Å; D989-G993 PolarHBondContact O-N 3.23Å |
| 990 | V | 32.2 | Very low | 28.2 | Very low | 58 Ų | 58 | 111.2 Ų | 111.2 | 35% | 0.352 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.6 | -22.2 | 176.3 | 165.8 | 0 | 0 | 0 | 0 | 113.8 | S986 A988 R994 | S986-V990 VanDerWaalsContact O-CG2 3.29Å; S986-V990 WeakPolarHBondContact O-CG2 3.38Å; S986-V990 PolarHBondContact O-N 2.83Å; A988-V990 PolarHBondContact O-N 3.2Å; V990-R994 HydrophobicContact CG1-CG 4.36Å |
| 991 | L | 33.4 | Very low | 28.3 | Very low | 107 Ų | 107 | 112.8 Ų | 112.8 | 56% | 0.56 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.3 | -30 | -177.7 | -93.1 | 158.5 | 0 | 0 | 0 | 114.2 | A988 D989 | A988-L991 PolarHBondContact O-N 2.83Å; A988-L991 VanDerWaalsContact O-N 3.15Å; D989-L991 PolarHBondContact O-N 2.91Å |
| 992 | F | 34.5 | Very low | 28.3 | Very low | 28 Ų | 28 | 110.9 Ų | 110.9 | 12% | 0.123 | 60% | 0.604 | C | S | . | * | H | α-helix | trans | -114.4 | -30.5 | 170.4 | -77.9 | -91.9 | 0 | 0 | 0 | 112.5 | I904 D989 R994 I995 L1072 | I904-F992 HydrophobicContact CD1-CB 4.14Å; I904-F992 HydrophobicContact CD1-CD2 3.44Å; I904-F992 VanDerWaalsContact CD1-CD2 3.44Å; I904-F992 HydrophobicContact CD1-CE2 3.88Å; I904-F992 HydrophobicContact CD1-CG 3.79Å; D989-F992 PolarHBondContact O-N 2.69Å; F992-R994 PolarHBondContact O-N 3.05Å; F992-R994 VanDerWaalsContact O-N 3.14Å; F992-I995 HydrophobicContact CD1-CD1 4.4Å; F992-I995 WeakPolarHBondContact O-CB 3.18Å; F992-I995 WeakPolarHBondContact O-CG1 3.46Å; F992-I995 PolarHBondContact O-N 3.42Å; F992-L1072 HydrophobicContact CD1-CD2 3.79Å |
| 993 | G | 30.1 | Very low | 28.2 | Very low | 40 Ų | 40 | 111.1 Ų | 111.1 | 41% | 0.412 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.5 | -19.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | D989 I995 A996 | D989-G993 VanDerWaalsContact O-CA 3.27Å; D989-G993 WeakPolarHBondContact O-CA 3.31Å; D989-G993 PolarHBondContact O-N 3.23Å; G993-I995 PolarHBondContact O-N 3.02Å; G993-A996 PolarHBondContact O-N 3.43Å |
| 994 | R | 30.6 | Very low | 28.2 | Very low | 166 Ų | 166 | 111.4 Ų | 111.4 | 63% | 0.626 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -5.5 | 171.6 | -83.9 | -174.4 | 168.4 | 178.4 | -2.3 | 114.5 | V990 F992 | V990-R994 HydrophobicContact CG1-CG 4.36Å; F992-R994 PolarHBondContact O-N 3.05Å; F992-R994 VanDerWaalsContact O-N 3.14Å |
| 995 | I | 32.7 | Very low | 28.2 | Very low | 21 Ų | 21 | 110.1 Ų | 110.1 | 11% | 0.108 | 61% | 0.605 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -82 | -25.1 | 177.4 | -62.4 | 172.5 | 0 | 0 | 0 | 111.7 | Y867 F992 G993 H997 | Y867-I995 HydrophobicContact CD1-CD1 4.4Å; Y867-I995 HydrophobicContact CD1-CG1 4.28Å; Y867-I995 HydrophobicContact CD2-CG1 4.02Å; Y867-I995 HydrophobicContact CG-CD1 4.04Å; Y867-I995 HydrophobicContact CG-CG1 3.85Å; F992-I995 HydrophobicContact CD1-CD1 4.4Å; F992-I995 WeakPolarHBondContact O-CB 3.18Å; F992-I995 WeakPolarHBondContact O-CG1 3.46Å; F992-I995 PolarHBondContact O-N 3.42Å; G993-I995 PolarHBondContact O-N 3.02Å; I995-H997 VanDerWaalsContact C-N 3.25Å; I995-H997 PolarHBondContact O-N 3.13Å; I995-H997 VanDerWaalsContact O-N 3.1Å |
| 996 | A | 29.3 | Very low | 28.2 | Very low | 38 Ų | 38 | 108.3 Ų | 108.3 | 31% | 0.314 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.3 | 11.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | G993 | G993-A996 PolarHBondContact O-N 3.43Š|
| 997 | H | 27.7 | Very low | 28 | Very low | 155 Ų | 155 | 112.2 Ų | 112.2 | 72% | 0.718 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132 | 13.3 | -162.6 | -130.5 | -63.2 | 0 | 0 | 0 | 117.4 | I995 S999 | I995-H997 VanDerWaalsContact C-N 3.25Å; I995-H997 PolarHBondContact O-N 3.13Å; I995-H997 VanDerWaalsContact O-N 3.1Å; H997-S999 VanDerWaalsContact C-N 3.33Å; H997-S999 PolarHBondContact O-N 2.86Å; H997-S999 VanDerWaalsContact O-N 3.15Å |
| 998 | V | 27.6 | Very low | 28 | Very low | 134 Ų | 134 | 110 Ų | 110 | 81% | 0.812 | 61% | 0.612 | S | S | * | * | trans | -87.3 | 72.8 | 172.5 | -171.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 999 | S | 24.7 | Very low | 27.8 | Very low | 79 Ų | 79 | 115.5 Ų | 115.5 | 55% | 0.552 | 62% | 0.621 | S | S | * | * | trans | -61.7 | 147.8 | 172.1 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | H997 T1001 | H997-S999 VanDerWaalsContact C-N 3.33Å; H997-S999 PolarHBondContact O-N 2.86Å; H997-S999 VanDerWaalsContact O-N 3.15Å; S999-T1001 PolarHBondContact O-N 3.43Å | ||
| 1000 | T | 24.1 | Very low | 27.7 | Very low | 150 Ų | 150 | 116.4 Ų | 116.4 | 92% | 0.92 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -74 | 60.9 | -177.3 | 52.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1001 | T | 24.3 | Very low | 27.4 | Very low | 121 Ų | 121 | 121.4 Ų | 121.4 | 74% | 0.742 | 66% | 0.656 | S | S | * | * | trans | -147.6 | 74.4 | -175.8 | 52.2 | 0 | 0 | 0 | 0 | 113.4 | S999 | S999-T1001 PolarHBondContact O-N 3.43Š| ||
| 1002 | S | 25.4 | Very low | 27.4 | Very low | 112 Ų | 112 | 121.6 Ų | 121.6 | 78% | 0.783 | 66% | 0.664 | S | S | * | * | trans | -152.9 | 29 | 169.2 | 60 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1003 | F | 22.1 | Very low | 27 | Very low | 166 Ų | 166 | 126.1 Ų | 126.1 | 73% | 0.728 | 69% | 0.693 | S | S | * | * | trans | -125.3 | 95.9 | 166.1 | -83.2 | -86.6 | 0 | 0 | 0 | 110.4 | I922 | I922-F1003 HydrophobicContact CD1-CD2 4.08Å; I922-F1003 HydrophobicContact CD1-CE2 3.68Å | ||
| 1004 | I | 26.1 | Very low | 26.8 | Very low | 157 Ų | 157 | 131.3 Ų | 131.3 | 81% | 0.805 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 174 | 135.4 | 155 | -94.3 | 151.7 | 0 | 0 | 0 | 107 | ||
| 1005 | N | 26.3 | Very low | 26.6 | Very low | 148 Ų | 148 | 130.5 Ų | 130.5 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | trans | 38.3 | 110.2 | 167.1 | -55.8 | -2.7 | 0 | 0 | 0 | 118.1 | ||||
| 1006 | N | 23.7 | Very low | 26.2 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | 73.6 | 132.3 | 51.3 | -159.3 | 39.7 | 0 | 0 | 0 | 114.8 | |||||
| 1007 | E | 25.3 | Very low | 25.9 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | 83.7 | 148.8 | 168.7 | -44.2 | -153.5 | 158.9 | 0 | 0 | 121.9 | ||||
| 1008 | N | 28.5 | Very low | 25.9 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | 75.6 | 84.5 | 157.1 | -58.6 | -37.1 | 0 | 0 | 0 | 121.7 | ||||
| 1009 | K | 24.9 | Very low | 25.7 | Very low | 192 Ų | 192 | 141.1 Ų | 141.1 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | -11.9 | 136.6 | 139.9 | -50 | 160.9 | -176.3 | 166.3 | 0 | 116.5 | ||||
| 1010 | T | 28.3 | Very low | 26.2 | Very low | 146 Ų | 146 | 142.6 Ų | 142.6 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | -169.2 | 178.9 | 105.2 | 22.3 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1011 | N | 25.9 | Very low | 26.3 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | trans | -110.1 | 168.5 | -162.3 | -117.7 | 15.9 | 0 | 0 | 0 | 113.6 | ||||
| 1012 | P | 33.8 | Very low | 26.4 | Very low | 111 Ų | 111 | 141 Ų | 141 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | trans | -98.1 | 172.5 | -157.9 | 39.5 | -39.2 | 0 | 0 | 0 | 115.5 | ||||
| 1013 | V | 26.3 | Very low | 26.4 | Very low | 122 Ų | 122 | 147.2 Ų | 147.2 | 74% | 0.739 | 77% | 0.774 | S | S | * | * | trans | -150.8 | 123 | 164.1 | 125.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1014 | Q | 25.5 | Very low | 26.5 | Very low | 150 Ų | 150 | 143.8 Ų | 143.8 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | 55.1 | 136.5 | 140.1 | -62.5 | 175.5 | -5.1 | 0 | 0 | 125.5 | ||||
| 1015 | H | 26.1 | Very low | 26.5 | Very low | 149 Ų | 149 | 143.5 Ų | 143.5 | 69% | 0.69 | 77% | 0.771 | S | S | * | * | 68.6 | 153.1 | 129.7 | -70.8 | -22.4 | 0 | 0 | 0 | 121.8 | |||||
| 1016 | K | 24.1 | Very low | 26.4 | Very low | 171 Ų | 171 | 141.2 Ų | 141.2 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | cis | -165.9 | 150.9 | -28.8 | -141.5 | -179.2 | -175.9 | -179.2 | 0 | 108.7 | ||||
| 1017 | S | 23.8 | Very low | 26.4 | Very low | 93 Ų | 93 | 144 Ų | 144 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | trans | 17.6 | 135.8 | 149.7 | 59.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 1018 | V | 28 | Very low | 26.5 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 87% | 0.873 | 78% | 0.778 | S | S | * | * | -177.1 | 159.9 | 111.4 | 146.9 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1019 | L | 23.3 | Very low | 26.2 | Very low | 162 Ų | 162 | 144.9 Ų | 144.9 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -93 | 176.9 | -174.1 | -87.5 | 167.9 | 0 | 0 | 0 | 113 | ||||
| 1020 | P | 33.8 | Very low | 26.2 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | trans | -100 | 176.5 | -148.2 | 40.7 | -39.6 | 0 | 0 | 0 | 115.4 | ||||
| 1021 | I | 26.8 | Very low | 26 | Very low | 175 Ų | 175 | 140.6 Ų | 140.6 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | trans | -167.4 | 148.7 | 144.8 | -101.1 | 149.3 | 0 | 0 | 0 | 109.9 | ||||
| 1022 | G | 26.5 | Very low | 26.1 | Very low | 64 Ų | 64 | 140.9 Ų | 140.9 | 66% | 0.66 | 77% | 0.768 | S | S | * | * | trans | 104.7 | 91.7 | 142.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1023 | R | 26.1 | Very low | 25.9 | Very low | 241 Ų | 241 | 143.7 Ų | 143.7 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | 51.4 | 105 | 127.8 | -70.7 | -176.6 | 176.5 | 173 | -1.2 | 121.9 | |||||
| 1024 | S | 24.4 | Very low | 26.1 | Very low | 94 Ų | 94 | 143.9 Ų | 143.9 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | 56.5 | 122.5 | 119.9 | 66.9 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 1025 | N | 24.2 | Very low | 26.3 | Very low | 151 Ų | 151 | 145.7 Ų | 145.7 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | trans | 85.1 | 142.6 | 133.5 | -66.3 | 9.7 | 0 | 0 | 0 | 122.9 | ||||
| 1026 | S | 25.6 | Very low | 26.5 | Very low | 100 Ų | 100 | 144.3 Ų | 144.3 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | 64 | 109.6 | 148.3 | 53.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1027 | E | 23.9 | Very low | 26.9 | Very low | 197 Ų | 197 | 143.1 Ų | 143.1 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | 65.2 | 160.9 | 129.1 | -56.3 | -170.9 | 158.7 | 0 | 0 | 121.5 | |||||
| 1028 | G | 26.9 | Very low | 27.3 | Very low | 74 Ų | 74 | 143.1 Ų | 143.1 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | trans | 91.1 | 96.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1029 | R | 22.9 | Very low | 27.4 | Very low | 233 Ų | 233 | 141.9 Ų | 141.9 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | 76.8 | 132.1 | 53.9 | -140.2 | -163 | -167 | -174.3 | 4.3 | 113.7 | |||||
| 1030 | L | 23.5 | Very low | 27.7 | Very low | 157 Ų | 157 | 138.1 Ų | 138.1 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | 85.1 | 147.3 | 163.3 | -65.1 | 166.9 | 0 | 0 | 0 | 120.2 | ||||
| 1031 | S | 25.5 | Very low | 27.4 | Very low | 92 Ų | 92 | 136.9 Ų | 136.9 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | trans | -97.9 | 161.2 | -174.6 | 48.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1032 | E | 27.9 | Very low | 27.3 | Very low | 168 Ų | 168 | 134.5 Ų | 134.5 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | -169.6 | 130.9 | 122.7 | -100.9 | 159 | -154.5 | 0 | 0 | 108.4 | |||||
| 1033 | H | 28.7 | Very low | 27.7 | Very low | 171 Ų | 171 | 136.1 Ų | 136.1 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | 68.3 | 133.2 | 95.4 | -99.8 | -91 | 0 | 0 | 0 | 112.5 | |||||
| 1034 | E | 30 | Very low | 27.6 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 58% | 0.584 | 75% | 0.752 | S | S | * | * | cis | -167.6 | 160.9 | 41.8 | -113.8 | -177.8 | 153.9 | 0 | 0 | 114.3 | ||||
| 1035 | R | 30.2 | Very low | 27.6 | Very low | 188 Ų | 188 | 131.4 Ų | 131.4 | 71% | 0.709 | 76% | 0.758 | S | S | * | * | trans | 64.9 | 146.8 | 141.3 | -72.8 | -169.5 | -84.5 | -165.1 | -9.1 | 121.4 | ||||
| 1036 | D | 30.2 | Very low | 27.7 | Very low | 121 Ų | 121 | 130.2 Ų | 130.2 | 65% | 0.647 | 76% | 0.756 | S | S | * | * | cis | -160.4 | 173.1 | -1.8 | -130.9 | -34 | 0 | 0 | 0 | 115.4 | ||||
| 1037 | I | 32.4 | Very low | 27.7 | Very low | 146 Ų | 146 | 132 Ų | 132 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | 69.1 | 131.9 | 156.1 | -68 | 158 | 0 | 0 | 0 | 118.2 | ||||
| 1038 | S | 32.7 | Very low | 28 | Very low | 92 Ų | 92 | 126.1 Ų | 126.1 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | cis | -168.2 | 148 | -13.7 | 56.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1039 | S | 29.8 | Very low | 28 | Very low | 119 Ų | 119 | 129.6 Ų | 129.6 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | trans | 28.9 | 145.4 | 149.3 | 60.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1040 | G | 28.9 | Very low | 28.2 | Very low | 82 Ų | 82 | 124.4 Ų | 124.4 | 85% | 0.845 | 75% | 0.746 | S | S | * | * | cis | 151.4 | 161 | 2.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1041 | G | 28.4 | Very low | 28.3 | Very low | 84 Ų | 84 | 123.7 Ų | 123.7 | 87% | 0.866 | 74% | 0.743 | S | S | * | * | trans | 144.7 | 142.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1042 | C | 24.1 | Very low | 28.5 | Very low | 125 Ų | 125 | 125.2 Ų | 125.2 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | -153 | -167.7 | 178.1 | -132.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1043 | P | 34.6 | Very low | 28.4 | Very low | 99 Ų | 99 | 123.2 Ų | 123.2 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | cis | -138.9 | -172.8 | -17.1 | 30.7 | -6.1 | 0 | 0 | 0 | 115.2 | ||||
| 1044 | T | 25.4 | Very low | 28.3 | Very low | 109 Ų | 109 | 118.1 Ų | 118.1 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | trans | 63.7 | 113.5 | 141.7 | 46.4 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 1045 | T | 24.2 | Very low | 28.3 | Very low | 127 Ų | 127 | 119.6 Ų | 119.6 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | 81.3 | 154.3 | 123.2 | 60.8 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 1046 | V | 26.4 | Very low | 28.1 | Very low | 125 Ų | 125 | 115.4 Ų | 115.4 | 76% | 0.758 | 76% | 0.762 | S | S | * | * | trans | 99.1 | 108.1 | 157.7 | -170.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1047 | T | 25.1 | Very low | 27.9 | Very low | 137 Ų | 137 | 117 Ų | 117 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | trans | 11.5 | 139.5 | 155.8 | 61 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1048 | G | 29.6 | Very low | 27.7 | Very low | 75 Ų | 75 | 120 Ų | 120 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | 176.3 | 52.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1049 | D | 27 | Very low | 27.4 | Very low | 147 Ų | 147 | 125.4 Ų | 125.4 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | 32.9 | 147.9 | 151.9 | -81.9 | 13.1 | 0 | 0 | 0 | 126 | ||||
| 1050 | N | 28.1 | Very low | 27.2 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 66% | 0.663 | 80% | 0.796 | S | S | * | * | trans | 81.9 | 101.7 | 149.6 | -71.2 | -44.4 | 0 | 0 | 0 | 122 | ||||
| 1051 | N | 26.3 | Very low | 27.1 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | 60.8 | 115.1 | 130.6 | -53 | -37.5 | 0 | 0 | 0 | 118.7 | ||||
| 1052 | S | 28.2 | Very low | 27 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | -161.5 | 160.8 | 66.2 | 39.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1053 | S | 25.8 | Very low | 27 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | trans | -84.9 | 142 | -167.7 | 57.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1054 | G | 26.4 | Very low | 26.7 | Very low | 64 Ų | 64 | 138.5 Ų | 138.5 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | trans | 153.6 | 70.6 | 151.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1055 | I | 30.9 | Very low | 26.7 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | trans | -161.9 | 125.2 | 142.9 | -93.8 | 140.8 | 0 | 0 | 0 | 106 | Y1140 | I1055-Y1140 WeakPolarHBondContact CD1-OH 3.21Å; I1055-Y1140 WeakPolarHBondContact CG1-OH 3.48Å | ||
| 1056 | S | 25.9 | Very low | 26.9 | Very low | 99 Ų | 99 | 142.5 Ų | 142.5 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | trans | -129.7 | 141.3 | -173 | 54.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1057 | N | 26.3 | Very low | 27.4 | Very low | 156 Ų | 156 | 140.3 Ų | 140.3 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | 46.1 | 74.2 | 142.2 | -56.6 | -5.1 | 0 | 0 | 0 | 118.2 | ||||
| 1058 | F | 26.9 | Very low | 28.3 | Very low | 209 Ų | 209 | 140.1 Ų | 140.1 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | trans | -144.6 | 34.8 | 159.2 | -122.4 | -78.2 | 0 | 0 | 0 | 114.3 | ||||
| 1059 | K | 27 | Very low | 29.3 | Very low | 205 Ų | 205 | 142.8 Ų | 142.8 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -124.2 | 13.6 | -177.5 | -93.8 | -171.3 | 174.4 | -176.8 | 0 | 116 | ||
| 1060 | Q | 26.5 | Very low | 31.2 | Very low | 201 Ų | 201 | 138.6 Ų | 138.6 | 94% | 0.939 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -130.8 | 48 | 179.5 | -75.1 | -173 | -22.1 | 0 | 0 | 114 | ||
| 1061 | A | 25.2 | Very low | 33.3 | Very low | 91 Ų | 91 | 135.3 Ų | 135.3 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | trans | -162.3 | 139.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1062 | I | 27 | Very low | 35.8 | Very low | 143 Ų | 143 | 128.8 Ų | 128.8 | 73% | 0.733 | 69% | 0.693 | S | S | * | * | cis | -132 | 139 | 11.2 | -58.6 | 166.7 | 0 | 0 | 0 | 108.2 | I1064 | I1062-I1064 HydrophobicContact CB-CG1 4.35Å; I1062-I1064 HydrophobicContact CG2-CG1 3.84Å; I1062-I1064 PolarHBondContact O-N 3.11Å | ||
| 1063 | K | 24.2 | Very low | 38.3 | Very low | 210 Ų | 210 | 124 Ų | 124 | 91% | 0.913 | 66% | 0.657 | S | S | * | * | trans | -78.9 | 108.2 | 163.6 | -82.8 | -174.9 | 175.8 | 179.5 | 0 | 108.8 | ||||
| 1064 | I | 27.7 | Very low | 41.1 | Very low | 139 Ų | 139 | 118.1 Ų | 118.1 | 71% | 0.713 | 62% | 0.616 | S | S | * | * | trans | -97.9 | 135.3 | 172.3 | -58.1 | -179.2 | 0 | 0 | 0 | 108.7 | I1062 | I1062-I1064 HydrophobicContact CB-CG1 4.35Å; I1062-I1064 HydrophobicContact CG2-CG1 3.84Å; I1062-I1064 PolarHBondContact O-N 3.11Å | ||
| 1065 | P | 26.4 | Very low | 43.8 | Very low | 104 Ų | 104 | 115.6 Ų | 115.6 | 68% | 0.675 | 59% | 0.587 | S | S | * | * | trans | -66.3 | 159.5 | -178.9 | -22.2 | 34.4 | 0 | 0 | 0 | 114.4 | T1067 | P1065-T1067 PolarHBondContact O-N 3.23Š| ||
| 1066 | K | 28.1 | Very low | 46.3 | Very low | 216 Ų | 216 | 108.6 Ų | 108.6 | 94% | 0.939 | 55% | 0.551 | S | S | * | * | trans | -82.4 | 89.5 | 171.3 | -68.3 | -177.1 | 178.2 | -177.9 | 0 | 110.8 | ||||
| 1067 | T | 37 | Very low | 48.6 | Very low | 78 Ų | 78 | 104.6 Ų | 104.6 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | trans | -138.1 | 127 | 167.4 | 47.8 | 0 | 0 | 0 | 0 | 109.3 | P1065 Y1069 | P1065-T1067 PolarHBondContact O-N 3.23Å; T1067-Y1069 WeakPolarHBondContact O-CD2 3.33Å; T1067-Y1069 PolarHBondContact O-N 3.35Å; T1067-Y1069 WeakPolarHBondContact OG1-CE2 3.25Å; T1067-Y1069 VanDerWaalsContact OG1-CZ 3.29Å; T1067-Y1069 PolarHBondContact OG1-OH 3.44Å | ||
| 1068 | T | 44.8 | Very low | 50.5 | Low | 133 Ų | 133 | 103.4 Ų | 103.4 | 82% | 0.816 | 52% | 0.516 | S | S | * | . | trans | -83.1 | 91.7 | -174.9 | 40.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1069 | Y | 50.4 | Low | 52.4 | Low | 132 Ų | 132 | 94.6 Ų | 94.6 | 52% | 0.518 | 48% | 0.48 | S | S | . | . | trans | -81.5 | 129.4 | 172.9 | -61.1 | -74.8 | 0 | 0 | 0 | 111.1 | E912 T1067 | E912-Y1069 VanDerWaalsContact OE2-CD1 3.23Å; E912-Y1069 WeakPolarHBondContact OE2-CD1 3.21Å; E912-Y1069 WeakPolarHBondContact OE2-CE1 3.01Å; T1067-Y1069 WeakPolarHBondContact O-CD2 3.33Å; T1067-Y1069 PolarHBondContact O-N 3.35Å; T1067-Y1069 WeakPolarHBondContact OG1-CE2 3.25Å; T1067-Y1069 VanDerWaalsContact OG1-CZ 3.29Å; T1067-Y1069 PolarHBondContact OG1-OH 3.44Å | ||
| 1070 | H | 65.6 | Low | 54.6 | Low | 58 Ų | 58 | 87 Ų | 87 | 27% | 0.269 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 144.3 | 171.7 | -69.7 | -109.6 | 0 | 0 | 0 | 110 | F933 Y934 V936 | F933-H1070 WeakPolarHBondContact CA-O 3.41Å; Y934-H1070 HydrophobicContact CD1-CB 4.38Å; Y934-H1070 HydrophobicContact CE1-CB 3.91Å; Y934-H1070 HydrophobicContact CE2-CB 4.43Å; Y934-H1070 PolarHBondContact N-O 2.74Å; V936-H1070 HydrophobicContact CG2-CB 4.27Å |
| 1071 | F | 73.3 | Confident | 56.6 | Low | 55 Ų | 55 | 77.6 Ų | 77.6 | 24% | 0.241 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 151.5 | 176.8 | 65 | -83.2 | 0 | 0 | 0 | 112.7 | I932 F933 E1073 | I932-F1071 CarbonylContact O-C 3.53Å; I932-F1071 WeakPolarHBondContact O-CA 3.46Å; F933-F1071 HydrophobicContact CB-CB 4.47Å; F933-F1071 HydrophobicContact CD1-CB 3.67Å; F933-F1071 HydrophobicContact CD1-CD1 4.39Å; F933-F1071 HydrophobicContact CD1-CG 4.28Å; F933-F1071 HydrophobicContact CD2-CB 4.35Å; F933-F1071 HydrophobicContact CE1-CB 3.89Å; F933-F1071 HydrophobicContact CE1-CD1 4.04Å; F933-F1071 HydrophobicContact CE1-CG 4.03Å; F933-F1071 HydrophobicContact CG-CB 3.91Å; F933-F1071 HydrophobicContact CZ-CB 4.32Å; F933-F1071 HydrophobicContact CZ-CG 4.41Å; F1071-E1073 HydrophobicContact CD2-CG 3.72Å; F1071-E1073 HydrophobicContact CE2-CG 3.67Å |
| 1072 | L | 77.5 | Confident | 58.3 | Low | 4 Ų | 4 | 78.9 Ų | 78.9 | 2% | 0.021 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 136.2 | 170.5 | -63.1 | 175.7 | 0 | 0 | 0 | 109.5 | F889 I906 R931 I932 Y934 F992 F1074 | F889-L1072 HydrophobicContact CE2-CD1 4.39Å; I906-L1072 HydrophobicContact CD1-CD1 3.8Å; R931-L1072 VanDerWaalsContact CA-O 3.31Å; R931-L1072 WeakPolarHBondContact CA-O 3.11Å; I932-L1072 PolarHBondContact N-O 3.47Å; I932-L1072 PolarHBondContact O-N 2.71Å; Y934-L1072 HydrophobicContact CE1-CG 4.05Å; F992-L1072 HydrophobicContact CD1-CD2 3.79Å; L1072-F1074 HydrophobicContact CB-CD2 4.26Å; L1072-F1074 HydrophobicContact CB-CE2 3.5Å; L1072-F1074 HydrophobicContact CB-CZ 4Å; L1072-F1074 HydrophobicContact CD1-CE2 4.07Å; L1072-F1074 HydrophobicContact CD1-CZ 4.05Å; L1072-F1074 HydrophobicContact CG-CE2 4.42Å |
| 1073 | E | 81.6 | Confident | 59.9 | Low | 24 Ų | 24 | 77.2 Ų | 77.2 | 11% | 0.112 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 126.5 | 177.2 | -69.5 | -160.4 | 113.6 | 0 | 0 | 111.4 | Y866 V929 R931 F1071 | Y866-E1073 WeakPolarHBondContact CB-O 3.41Å; Y866-E1073 HydrophobicContact CD1-CB 4.1Å; Y866-E1073 WeakPolarHBondContact CD1-OE2 3.41Å; Y866-E1073 HydrophobicContact CG-CB 4.28Å; Y866-E1073 PolarHBondContact N-O 2.92Å; V929-E1073 HydrophobicContact CG1-CB 3.69Å; V929-E1073 HydrophobicContact CG1-CG 4.05Å; R931-E1073 HydrophobicContact CG-CG 4.11Å; R931-E1073 IonicContact CZ-OE1 3.61Å; R931-E1073 IonicContact NE-OE1 2.78Å; R931-E1073 PolarHBondContact NE-OE1 3.18Å; R931-E1073 IonicContact NH2-OE1 3.79Å; R931-E1073 PolarHBondContact NH2-OE1 3.13Å; F1071-E1073 HydrophobicContact CD2-CG 3.72Å; F1071-E1073 HydrophobicContact CE2-CG 3.67Å |
| 1074 | F | 85.1 | Confident | 61.5 | Low | 2 Ų | 2 | 72 Ų | 72 | 1% | 0.009 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 139.2 | -176.8 | -66.4 | -75 | 0 | 0 | 0 | 113 | L863 V864 T878 F889 V929 L930 I932 L1072 | L863-F1074 HydrophobicContact CB-CB 4.16Å; L863-F1074 HydrophobicContact CB-CD1 3.77Å; L863-F1074 HydrophobicContact CB-CE1 4.49Å; L863-F1074 HydrophobicContact CB-CG 4.16Å; L863-F1074 HydrophobicContact CD1-CB 3.82Å; L863-F1074 HydrophobicContact CD1-CD1 4.04Å; L863-F1074 HydrophobicContact CD1-CD2 4.06Å; L863-F1074 HydrophobicContact CD1-CG 3.71Å; L863-F1074 HydrophobicContact CD2-CB 4.41Å; L863-F1074 HydrophobicContact CG-CB 4.36Å; V864-F1074 WeakPolarHBondContact O-CA 3.47Å; T878-F1074 HydrophobicContact CG2-CE1 4.37Å; F889-F1074 HydrophobicContact CD1-CE1 4.14Å; F889-F1074 HydrophobicContact CD1-CE2 4.03Å; F889-F1074 AromaticContact CD1-CZ 3.43Å; F889-F1074 HydrophobicContact CD1-CZ 3.43Å; F889-F1074 VanDerWaalsContact CD1-CZ 3.43Å; F889-F1074 HydrophobicContact CE1-CD2 4.44Å; F889-F1074 HydrophobicContact CE1-CE1 4.31Å; F889-F1074 AromaticContact CE1-CE2 3.46Å; F889-F1074 HydrophobicContact CE1-CE2 3.46Å; F889-F1074 VanDerWaalsContact CE1-CE2 3.46Å; F889-F1074 AromaticContact CE1-CZ 3.39Å; F889-F1074 HydrophobicContact CE1-CZ 3.39Å; F889-F1074 HydrophobicContact CG-CZ 4.41Å; F889-F1074 HydrophobicContact CZ-CE2 4.14Å; F889-F1074 HydrophobicContact CZ-CZ 4.34Å; V929-F1074 WeakPolarHBondContact CA-O 3.13Å; L930-F1074 PolarHBondContact N-O 2.91Å; L930-F1074 PolarHBondContact O-N 2.88Å; I932-F1074 HydrophobicContact CD1-CD2 4.13Å; I932-F1074 HydrophobicContact CD1-CE2 3.96Å; I932-F1074 HydrophobicContact CG1-CD2 4.47Å; L1072-F1074 HydrophobicContact CB-CD2 4.26Å; L1072-F1074 HydrophobicContact CB-CE2 3.5Å; L1072-F1074 HydrophobicContact CB-CZ 4Å; L1072-F1074 HydrophobicContact CD1-CE2 4.07Å; L1072-F1074 HydrophobicContact CD1-CZ 4.05Å; L1072-F1074 HydrophobicContact CG-CE2 4.42Å |
| 1075 | L | 82.6 | Confident | 62.5 | Low | 12 Ų | 12 | 68.1 Ų | 68.1 | 6% | 0.063 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 152.6 | 164.7 | -64 | 177.8 | 0 | 0 | 0 | 110.3 | V864 Y866 F869 N927 F928 V929 P1077 | V864-L1075 HydrophobicContact CB-CB 4.48Å; V864-L1075 PolarHBondContact N-O 3.11Å; V864-L1075 PolarHBondContact O-N 2.72Å; Y866-L1075 HydrophobicContact CD2-CD1 3.97Å; Y866-L1075 HydrophobicContact CD2-CD2 3.86Å; Y866-L1075 HydrophobicContact CD2-CG 3.85Å; F869-L1075 HydrophobicContact CB-CD1 3.79Å; F869-L1075 HydrophobicContact CD1-CD1 3.62Å; F869-L1075 HydrophobicContact CD2-CD1 3.71Å; F869-L1075 HydrophobicContact CE1-CD1 4.09Å; F869-L1075 HydrophobicContact CE2-CD1 4.16Å; F869-L1075 HydrophobicContact CG-CD1 3.42Å; F869-L1075 VanDerWaalsContact CG-CD1 3.42Å; F869-L1075 HydrophobicContact CZ-CD1 4.34Å; N927-L1075 HydrophobicContact CB-CD2 3.93Å; F928-L1075 VanDerWaalsContact O-CD2 3.24Å; F928-L1075 WeakPolarHBondContact O-CD2 3.39Å; V929-L1075 HydrophobicContact CG2-CD2 3.93Å; L1075-P1077 WeakPolarHBondContact O-CD 3.36Å |
| 1076 | Q | 82.9 | Confident | 64.2 | Low | 9 Ų | 9 | 63.8 Ų | 63.8 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 118.8 | 161 | 173.4 | 61.8 | 67.3 | 0 | 0 | 108.5 | T1079 V1089 T1095 A1098 L1099 | Q1076-T1079 PolarHBondContact NE2-O 2.97Å; Q1076-V1089 HydrophobicContact CG-CB 4.45Å; Q1076-V1089 HydrophobicContact CG-CG1 4.08Å; Q1076-V1089 HydrophobicContact CG-CG2 4.25Å; Q1076-T1095 HydrophobicContact CB-CG2 3.9Å; Q1076-T1095 HydrophobicContact CG-CG2 4.3Å; Q1076-A1098 HydrophobicContact CG-CB 3.71Å; Q1076-L1099 HydrophobicContact CB-CD2 3.77Å; Q1076-L1099 HydrophobicContact CB-CG 3.82Å |
| 1077 | P | 74.5 | Confident | 65.9 | Low | 16 Ų | 16 | 56.1 Ų | 56.1 | 10% | 0.104 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 158.9 | 168.6 | 19 | -28.1 | 0 | 0 | 0 | 112.6 | L862 V864 L1075 T1079 | L862-P1077 HydrophobicContact CD2-CG 4.09Å; L862-P1077 HydrophobicContact CG-CG 4.22Å; L862-P1077 WeakPolarHBondContact O-CD 3.46Å; V864-P1077 HydrophobicContact CG2-CB 3.75Å; V864-P1077 HydrophobicContact CG2-CG 3.89Å; L1075-P1077 WeakPolarHBondContact O-CD 3.36Å; P1077-T1079 WeakPolarHBondContact CG-O 3.37Å; P1077-T1079 CarbonylContact O-C 3.56Å; P1077-T1079 PolarHBondContact O-N 3.39Å |
| 1078 | D | 65.9 | Low | 67 | Low | 130 Ų | 130 | 55.1 Ų | 55.1 | 70% | 0.695 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -54.6 | 0.6 | 174.8 | -50.3 | -10.9 | 0 | 0 | 0 | 115.2 | P1088 V1089 | D1078-P1088 WeakPolarHBondContact O-CA 3.35Å; D1078-V1089 PolarHBondContact O-N 2.95Å |
| 1079 | T | 66.8 | Low | 68 | Low | 24 Ų | 24 | 49.5 Ų | 49.5 | 15% | 0.147 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 137.5 | 171.2 | 53.1 | 0 | 0 | 0 | 0 | 109.2 | L832 Q1076 P1077 V1087 | L832-T1079 HydrophobicContact CD2-CG2 3.69Å; Q1076-T1079 PolarHBondContact NE2-O 2.97Å; P1077-T1079 WeakPolarHBondContact CG-O 3.37Å; P1077-T1079 CarbonylContact O-C 3.56Å; P1077-T1079 PolarHBondContact O-N 3.39Å; T1079-V1087 CarbonylContact C-O 3.59Å; T1079-V1087 WeakPolarHBondContact CA-O 3.4Å |
| 1080 | R | 73.4 | Confident | 68.6 | Low | 45 Ų | 45 | 45.7 Ų | 45.7 | 17% | 0.17 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 146.1 | 176.3 | 172.4 | 173 | 174.5 | -165 | 1.2 | 110.2 | L1086 V1087 V1089 | R1080-L1086 WeakPolarHBondContact O-CA 3.38Å; R1080-V1087 PolarHBondContact N-O 2.86Å; R1080-V1087 PolarHBondContact O-N 2.84Å; R1080-V1089 HydrophobicContact CB-CG2 3.44Å; R1080-V1089 VanDerWaalsContact CB-CG2 3.44Å |
| 1081 | L | 68.5 | Low | 68.5 | Low | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 130.1 | 170.9 | -164.9 | 59 | 0 | 0 | 0 | 110.5 | I839 I843 E860 L862 V1085 L1086 | I839-L1081 HydrophobicContact CG2-CD2 4.19Å; I843-L1081 HydrophobicContact CD1-CD2 3.28Å; E860-L1081 HydrophobicContact CB-CD2 4.11Å; E860-L1081 HydrophobicContact CG-CD2 3.43Å; E860-L1081 VanDerWaalsContact CG-CD2 3.43Å; E860-L1081 HydrophobicContact CG-CG 4.05Å; L862-L1081 HydrophobicContact CB-CB 4.36Å; L1081-V1085 WeakPolarHBondContact CA-O 3.35Å; L1081-L1086 HydrophobicContact CB-CD2 4.33Å; L1081-L1086 HydrophobicContact CD1-CD2 3.92Å; L1081-L1086 HydrophobicContact CD1-CG 4.4Å |
| 1082 | F | 62 | Low | 68.3 | Low | 118 Ų | 118 | 48.1 Ų | 48.1 | 52% | 0.518 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 122.8 | -179.7 | -176.4 | -94.9 | 0 | 0 | 0 | 109.4 | K1084 V1085 V1087 | F1082-K1084 PolarHBondContact O-N 3.33Å; F1082-V1085 PolarHBondContact N-O 3.03Å; F1082-V1085 WeakPolarHBondContact O-CB 3.14Å; F1082-V1085 PolarHBondContact O-N 3.17Å; F1082-V1087 HydrophobicContact CB-CG2 4.1Å |
| 1083 | N | 59 | Low | 67.9 | Low | 107 Ų | 107 | 53.7 Ų | 53.7 | 57% | 0.572 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.2 | 46.3 | -171.5 | -72 | 0.6 | 0 | 0 | 0 | 113.3 | V1085 | N1083-V1085 PolarHBondContact O-N 3.12Å; N1083-V1085 VanDerWaalsContact O-N 3.1Å |
| 1084 | K | 57.6 | Low | 67.5 | Low | 102 Ų | 102 | 58 Ų | 58 | 44% | 0.443 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 1.9 | -174 | -60.2 | -177.8 | 179.7 | -167.5 | 0 | 116.3 | K840 E860 F1082 | K840-K1084 WeakPolarHBondContact CE-O 3.45Å; E860-K1084 WeakPolarHBondContact OE1-CE 3.49Å; E860-K1084 WeakPolarHBondContact OE1-CG 3.26Å; F1082-K1084 PolarHBondContact O-N 3.33Å |
| 1085 | V | 50.5 | Low | 67 | Low | 56 Ų | 56 | 59 Ų | 59 | 34% | 0.339 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 142.6 | 176.4 | -178.6 | 0 | 0 | 0 | 0 | 111 | L1081 F1082 N1083 | L1081-V1085 WeakPolarHBondContact CA-O 3.35Å; F1082-V1085 PolarHBondContact N-O 3.03Å; F1082-V1085 WeakPolarHBondContact O-CB 3.14Å; F1082-V1085 PolarHBondContact O-N 3.17Å; N1083-V1085 PolarHBondContact O-N 3.12Å; N1083-V1085 VanDerWaalsContact O-N 3.1Å |
| 1086 | L | 61.7 | Low | 66.9 | Low | 13 Ų | 13 | 59.5 Ų | 59.5 | 7% | 0.068 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 107.9 | 172.5 | -72.1 | 179.4 | 0 | 0 | 0 | 111.1 | R835 E836 I839 L862 R1080 L1081 | R835-L1086 HydrophobicContact CB-CD1 4.17Å; E836-L1086 HydrophobicContact CB-CD1 3.86Å; E836-L1086 HydrophobicContact CB-CG 4.19Å; E836-L1086 HydrophobicContact CG-CB 4.44Å; E836-L1086 HydrophobicContact CG-CD1 4.4Å; E836-L1086 HydrophobicContact CG-CG 4.18Å; I839-L1086 HydrophobicContact CD1-CD1 4.11Å; L862-L1086 HydrophobicContact CD2-CD2 4.18Å; R1080-L1086 WeakPolarHBondContact O-CA 3.38Å; L1081-L1086 HydrophobicContact CB-CD2 4.33Å; L1081-L1086 HydrophobicContact CD1-CD2 3.92Å; L1081-L1086 HydrophobicContact CD1-CG 4.4Å |
| 1087 | V | 62.8 | Low | 66.8 | Low | 55 Ų | 55 | 64.1 Ų | 64.1 | 33% | 0.333 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 129.7 | 176.5 | -174.2 | 0 | 0 | 0 | 0 | 109.2 | T1079 R1080 F1082 | T1079-V1087 CarbonylContact C-O 3.59Å; T1079-V1087 WeakPolarHBondContact CA-O 3.4Å; R1080-V1087 PolarHBondContact N-O 2.86Å; R1080-V1087 PolarHBondContact O-N 2.84Å; F1082-V1087 HydrophobicContact CB-CG2 4.1Å |
| 1088 | P | 61.5 | Low | 67.1 | Low | 58 Ų | 58 | 63.6 Ų | 63.6 | 38% | 0.377 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 143 | 172.6 | -23 | 34.2 | 0 | 0 | 0 | 112 | D1078 | D1078-P1088 WeakPolarHBondContact O-CA 3.35Å |
| 1089 | V | 65.1 | Low | 68 | Low | 15 Ų | 15 | 57.4 Ų | 57.4 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | trans | -115.6 | 108.9 | 173.5 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | Q1076 D1078 R1080 A1098 | Q1076-V1089 HydrophobicContact CG-CB 4.45Å; Q1076-V1089 HydrophobicContact CG-CG1 4.08Å; Q1076-V1089 HydrophobicContact CG-CG2 4.25Å; D1078-V1089 PolarHBondContact O-N 2.95Å; R1080-V1089 HydrophobicContact CB-CG2 3.44Å; R1080-V1089 VanDerWaalsContact CB-CG2 3.44Å; V1089-A1098 HydrophobicContact CG1-CB 4.26Å; V1089-A1098 HydrophobicContact CG2-CB 4.48Å | ||
| 1090 | P | 63.2 | Low | 69 | Low | 52 Ų | 52 | 59.5 Ų | 59.5 | 34% | 0.338 | 32% | 0.32 | S | S | . | . | trans | -58.4 | 144.8 | 172.8 | -28.6 | 38.9 | 0 | 0 | 0 | 113.1 | G1092 E1094 T1095 | P1090-G1092 PolarHBondContact O-N 2.9Å; P1090-E1094 WeakPolarHBondContact CB-OE1 3.47Å; P1090-E1094 VanDerWaalsContact CD-OE2 3.28Å; P1090-E1094 WeakPolarHBondContact CD-OE2 3.37Å; P1090-E1094 VanDerWaalsContact CG-OE1 3.26Å; P1090-E1094 WeakPolarHBondContact CG-OE1 3.05Å; P1090-T1095 PolarHBondContact O-OG1 3.34Å | ||
| 1091 | P | 63.4 | Low | 69.5 | Low | 124 Ų | 124 | 60.4 Ų | 60.4 | 81% | 0.805 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -75.5 | 118.1 | 178.6 | 29.7 | -33.9 | 0 | 0 | 0 | 111.1 | T1095 | P1091-T1095 WeakPolarHBondContact CA-OG1 3.16Š|
| 1092 | G | 68.1 | Low | 70.4 | Confident | 39 Ų | 39 | 60.3 Ų | 60.3 | 40% | 0.402 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 148.9 | -139 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P1090 E1094 T1095 L1096 | P1090-G1092 PolarHBondContact O-N 2.9Å; G1092-E1094 VanDerWaalsContact C-N 3.28Å; G1092-E1094 PolarHBondContact O-N 2.88Å; G1092-T1095 PolarHBondContact N-OG1 2.91Å; G1092-T1095 WeakPolarHBondContact O-CB 3.36Å; G1092-T1095 PolarHBondContact O-N 2.85Å; G1092-T1095 VanDerWaalsContact O-N 3.09Å; G1092-T1095 PolarHBondContact O-OG1 2.81Å; G1092-L1096 PolarHBondContact O-N 2.98Å |
| 1093 | D | 69.5 | Low | 71.6 | Confident | 121 Ų | 121 | 54.7 Ų | 54.7 | 65% | 0.647 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -66.7 | -28 | 179.9 | -67.8 | -36.7 | 0 | 0 | 0 | 112.5 | T1095 L1096 Q1097 | D1093-T1095 VanDerWaalsContact C-N 3.26Å; D1093-T1095 PolarHBondContact O-N 2.93Å; D1093-L1096 WeakPolarHBondContact O-CA 3.44Å; D1093-L1096 WeakPolarHBondContact O-CB 3.4Å; D1093-L1096 PolarHBondContact O-N 2.88Å; D1093-Q1097 WeakPolarHBondContact O-CG 3.29Å; D1093-Q1097 PolarHBondContact O-N 2.86Å |
| 1094 | E | 73.2 | Confident | 72.9 | Confident | 114 Ų | 114 | 52.3 Ų | 52.3 | 53% | 0.533 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.9 | -34.6 | 170.4 | -71.5 | -175.4 | -106.4 | 0 | 0 | 112.5 | P1090 G1092 L1096 Q1097 A1098 | P1090-E1094 WeakPolarHBondContact CB-OE1 3.47Å; P1090-E1094 VanDerWaalsContact CD-OE2 3.28Å; P1090-E1094 WeakPolarHBondContact CD-OE2 3.37Å; P1090-E1094 VanDerWaalsContact CG-OE1 3.26Å; P1090-E1094 WeakPolarHBondContact CG-OE1 3.05Å; G1092-E1094 VanDerWaalsContact C-N 3.28Å; G1092-E1094 PolarHBondContact O-N 2.88Å; E1094-L1096 VanDerWaalsContact C-N 3.3Å; E1094-L1096 PolarHBondContact O-N 3.45Å; E1094-Q1097 PolarHBondContact O-N 2.94Å; E1094-A1098 WeakPolarHBondContact O-CB 3.12Å; E1094-A1098 PolarHBondContact O-N 3.14Å |
| 1095 | T | 73.8 | Confident | 74.2 | Confident | 25 Ų | 25 | 49.2 Ų | 49.2 | 15% | 0.153 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.3 | -37.8 | 173.2 | -37.9 | 0 | 0 | 0 | 0 | 111.3 | Q1076 P1090 P1091 G1092 D1093 L1099 | Q1076-T1095 HydrophobicContact CB-CG2 3.9Å; Q1076-T1095 HydrophobicContact CG-CG2 4.3Å; P1090-T1095 PolarHBondContact O-OG1 3.34Å; P1091-T1095 WeakPolarHBondContact CA-OG1 3.16Å; G1092-T1095 PolarHBondContact N-OG1 2.91Å; G1092-T1095 WeakPolarHBondContact O-CB 3.36Å; G1092-T1095 PolarHBondContact O-N 2.85Å; G1092-T1095 VanDerWaalsContact O-N 3.09Å; G1092-T1095 PolarHBondContact O-OG1 2.81Å; D1093-T1095 VanDerWaalsContact C-N 3.26Å; D1093-T1095 PolarHBondContact O-N 2.93Å; T1095-L1099 PolarHBondContact O-N 3.31Å |
| 1096 | L | 81 | Confident | 76 | Confident | 22 Ų | 22 | 46.6 Ų | 46.6 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.3 | -44.7 | 174.3 | 177.2 | 65.2 | 0 | 0 | 0 | 111.8 | L916 F928 G1092 D1093 E1094 A1098 L1099 R1100 | L916-L1096 HydrophobicContact CD1-CD1 4.12Å; L916-L1096 HydrophobicContact CD2-CD1 3.65Å; L916-L1096 HydrophobicContact CG-CD1 3.77Å; F928-L1096 HydrophobicContact CB-CD1 4.18Å; F928-L1096 HydrophobicContact CD1-CD1 3.79Å; F928-L1096 HydrophobicContact CD2-CB 3.73Å; F928-L1096 HydrophobicContact CD2-CD1 4.36Å; F928-L1096 HydrophobicContact CD2-CG 4.47Å; F928-L1096 HydrophobicContact CE1-CD1 4.21Å; F928-L1096 HydrophobicContact CE1-CD2 4.15Å; F928-L1096 HydrophobicContact CE2-CB 3.95Å; F928-L1096 HydrophobicContact CE2-CD2 4.29Å; F928-L1096 HydrophobicContact CG-CB 4.09Å; F928-L1096 HydrophobicContact CG-CD1 3.86Å; F928-L1096 HydrophobicContact CG-CG 4.45Å; F928-L1096 HydrophobicContact CZ-CB 4.49Å; F928-L1096 HydrophobicContact CZ-CD2 4.02Å; G1092-L1096 PolarHBondContact O-N 2.98Å; D1093-L1096 WeakPolarHBondContact O-CA 3.44Å; D1093-L1096 WeakPolarHBondContact O-CB 3.4Å; D1093-L1096 PolarHBondContact O-N 2.88Å; E1094-L1096 VanDerWaalsContact C-N 3.3Å; E1094-L1096 PolarHBondContact O-N 3.45Å; L1096-A1098 VanDerWaalsContact C-N 3.32Å; L1096-A1098 PolarHBondContact O-N 3.32Å; L1096-L1099 PolarHBondContact O-N 2.89Å; L1096-R1100 WeakPolarHBondContact O-CG 3.42Å; L1096-R1100 PolarHBondContact O-N 3.01Å |
| 1097 | Q | 81.4 | Confident | 77.2 | Confident | 105 Ų | 105 | 47.3 Ų | 47.3 | 49% | 0.491 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 178.1 | -60.9 | -70.3 | 38.3 | 0 | 0 | 111.5 | D1093 E1094 R1100 V1101 | D1093-Q1097 WeakPolarHBondContact O-CG 3.29Å; D1093-Q1097 PolarHBondContact O-N 2.86Å; E1094-Q1097 PolarHBondContact O-N 2.94Å; Q1097-R1100 WeakPolarHBondContact O-CB 3.25Å; Q1097-R1100 PolarHBondContact O-N 3.42Å; Q1097-V1101 WeakPolarHBondContact O-CG2 3.35Å; Q1097-V1101 PolarHBondContact O-N 3.47Å; Q1097-V1101 VanDerWaalsContact O-N 3.1Å |
| 1098 | A | 80.8 | Confident | 78.2 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 5% | 0.05 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q1076 V1089 E1094 L1096 R1100 V1101 V1102 | Q1076-A1098 HydrophobicContact CG-CB 3.71Å; V1089-A1098 HydrophobicContact CG1-CB 4.26Å; V1089-A1098 HydrophobicContact CG2-CB 4.48Å; E1094-A1098 WeakPolarHBondContact O-CB 3.12Å; E1094-A1098 PolarHBondContact O-N 3.14Å; L1096-A1098 VanDerWaalsContact C-N 3.32Å; L1096-A1098 PolarHBondContact O-N 3.32Å; A1098-R1100 PolarHBondContact O-N 3.48Å; A1098-V1101 PolarHBondContact O-N 3.45Å; A1098-V1102 PolarHBondContact O-N 3.41Å |
| 1099 | L | 85.6 | Confident | 79.3 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62 | -39.1 | 173.3 | -74 | 179.8 | 0 | 0 | 0 | 112.8 | L863 L916 F928 L930 Q1076 T1095 L1096 V1101 V1102 A1103 | L863-L1099 HydrophobicContact CD2-CD2 4.13Å; L916-L1099 HydrophobicContact CD1-CB 3.69Å; L916-L1099 HydrophobicContact CD1-CD1 3.77Å; L916-L1099 HydrophobicContact CD1-CG 4.37Å; L916-L1099 HydrophobicContact CD2-CB 4.38Å; F928-L1099 HydrophobicContact CB-CD1 4.07Å; F928-L1099 WeakPolarHBondContact O-CD1 3.49Å; L930-L1099 HydrophobicContact CB-CD2 3.99Å; Q1076-L1099 HydrophobicContact CB-CD2 3.77Å; Q1076-L1099 HydrophobicContact CB-CG 3.82Å; T1095-L1099 PolarHBondContact O-N 3.31Å; L1096-L1099 PolarHBondContact O-N 2.89Å; L1099-V1101 VanDerWaalsContact C-N 3.34Å; L1099-V1101 PolarHBondContact O-N 3.08Å; L1099-V1102 PolarHBondContact O-N 3.1Å; L1099-A1103 WeakPolarHBondContact O-CB 3.28Å; L1099-A1103 PolarHBondContact O-N 2.89Å |
| 1100 | R | 86.3 | Confident | 80.4 | Confident | 67 Ų | 67 | 46.9 Ų | 46.9 | 25% | 0.253 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.4 | -43.9 | 174.5 | -81.5 | 173.6 | 165.9 | 147.1 | 2.8 | 112.5 | L916 L1096 Q1097 A1098 A1103 S1104 E1121 | L916-R1100 HydrophobicContact CD2-CB 4.31Å; L916-R1100 HydrophobicContact CD2-CG 3.43Å; L916-R1100 VanDerWaalsContact CD2-CG 3.43Å; L1096-R1100 WeakPolarHBondContact O-CG 3.42Å; L1096-R1100 PolarHBondContact O-N 3.01Å; Q1097-R1100 WeakPolarHBondContact O-CB 3.25Å; Q1097-R1100 PolarHBondContact O-N 3.42Å; A1098-R1100 PolarHBondContact O-N 3.48Å; R1100-A1103 PolarHBondContact O-N 2.89Å; R1100-S1104 WeakPolarHBondContact O-CB 3.32Å; R1100-S1104 PolarHBondContact O-N 2.78Å; R1100-S1104 PolarHBondContact O-OG 2.98Å; R1100-E1121 IonicContact CZ-OE1 2.77Å; R1100-E1121 IonicContact CZ-OE2 2.71Å; R1100-E1121 IonicContact NE-OE1 2.74Å; R1100-E1121 PolarHBondContact NE-OE1 3.44Å; R1100-E1121 IonicContact NE-OE2 3.78Å; R1100-E1121 IonicContact NH2-OE1 2.64Å; R1100-E1121 PolarHBondContact NH2-OE1 3.37Å; R1100-E1121 IonicContact NH2-OE2 2.74Å; R1100-E1121 PolarHBondContact NH2-OE2 3.03Å |
| 1101 | V | 85.2 | Confident | 81.4 | Confident | 65 Ų | 65 | 48.7 Ų | 48.7 | 39% | 0.394 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69 | -39.2 | 179.7 | -176.1 | 0 | 0 | 0 | 0 | 110.8 | Q1097 A1098 L1099 A1103 S1104 T1105 | Q1097-V1101 WeakPolarHBondContact O-CG2 3.35Å; Q1097-V1101 PolarHBondContact O-N 3.47Å; Q1097-V1101 VanDerWaalsContact O-N 3.1Å; A1098-V1101 PolarHBondContact O-N 3.45Å; L1099-V1101 VanDerWaalsContact C-N 3.34Å; L1099-V1101 PolarHBondContact O-N 3.08Å; V1101-A1103 PolarHBondContact O-N 3.06Å; V1101-S1104 PolarHBondContact O-N 3.03Å; V1101-T1105 PolarHBondContact O-N 3.36Å; V1101-T1105 PolarHBondContact O-OG1 3.03Å; V1101-T1105 VanDerWaalsContact O-OG1 3.12Å |
| 1102 | V | 85.8 | Confident | 82.3 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 172.9 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | C861 L863 L930 A1098 L1099 S1104 T1105 I1106 | C861-V1102 HydrophobicContact CB-CG2 3.99Å; L863-V1102 HydrophobicContact CD1-CG1 4.3Å; L863-V1102 HydrophobicContact CD2-CG1 4.35Å; L930-V1102 HydrophobicContact CD2-CG1 3.95Å; A1098-V1102 PolarHBondContact O-N 3.41Å; L1099-V1102 PolarHBondContact O-N 3.1Å; V1102-S1104 VanDerWaalsContact C-N 3.3Å; V1102-S1104 PolarHBondContact O-N 3.3Å; V1102-T1105 PolarHBondContact O-N 3.41Å; V1102-I1106 HydrophobicContact CG1-CD1 4.11Å; V1102-I1106 WeakPolarHBondContact O-CG1 3.35Å; V1102-I1106 PolarHBondContact O-N 3.26Å; V1102-I1106 VanDerWaalsContact O-N 3.08Å |
| 1103 | A | 88.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.1 | -37.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | L914 L930 L1099 R1100 V1101 I1106 I1107 L1119 | L914-A1103 HydrophobicContact CD2-CB 3.93Å; L930-A1103 HydrophobicContact CD1-CB 3.8Å; L1099-A1103 WeakPolarHBondContact O-CB 3.28Å; L1099-A1103 PolarHBondContact O-N 2.89Å; R1100-A1103 PolarHBondContact O-N 2.89Å; V1101-A1103 PolarHBondContact O-N 3.06Å; A1103-I1106 PolarHBondContact O-N 3.03Å; A1103-I1107 WeakPolarHBondContact O-CG1 3.34Å; A1103-I1107 PolarHBondContact O-N 2.8Å; A1103-L1119 HydrophobicContact CB-CD1 3.91Å; A1103-L1119 HydrophobicContact CB-CD2 3.87Å |
| 1104 | S | 86.3 | Confident | 83.5 | Confident | 56 Ų | 56 | 42.4 Ų | 42.4 | 39% | 0.392 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.3 | -41.9 | 177 | -57.3 | 0 | 0 | 0 | 0 | 112 | R1100 V1101 V1102 I1106 I1107 I1108 | R1100-S1104 WeakPolarHBondContact O-CB 3.32Å; R1100-S1104 PolarHBondContact O-N 2.78Å; R1100-S1104 PolarHBondContact O-OG 2.98Å; V1101-S1104 PolarHBondContact O-N 3.03Å; V1102-S1104 VanDerWaalsContact C-N 3.3Å; V1102-S1104 PolarHBondContact O-N 3.3Å; S1104-I1106 VanDerWaalsContact C-N 3.32Å; S1104-I1106 PolarHBondContact O-N 3.42Å; S1104-I1107 PolarHBondContact O-N 3.37Å; S1104-I1108 WeakPolarHBondContact O-CG1 3.47Å; S1104-I1108 PolarHBondContact O-N 3.49Å |
| 1105 | T | 85.3 | Confident | 83.8 | Confident | 38 Ų | 38 | 38.4 Ų | 38.4 | 23% | 0.233 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.9 | -39.6 | 174.6 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | A859 I882 V1101 V1102 I1108 S1109 | A859-T1105 HydrophobicContact CB-CG2 3.69Å; I882-T1105 HydrophobicContact CD1-CG2 3.82Å; V1101-T1105 PolarHBondContact O-N 3.36Å; V1101-T1105 PolarHBondContact O-OG1 3.03Å; V1101-T1105 VanDerWaalsContact O-OG1 3.12Å; V1102-T1105 PolarHBondContact O-N 3.41Å; T1105-I1108 PolarHBondContact O-N 3.44Å; T1105-S1109 PolarHBondContact O-N 2.86Å; T1105-S1109 VanDerWaalsContact O-N 3.11Å; T1105-S1109 PolarHBondContact O-OG 2.95Å |
| 1106 | I | 86.9 | Confident | 84.1 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.3 | -45.3 | 173.8 | -69.1 | 169.7 | 0 | 0 | 0 | 110.5 | I882 I887 L914 L930 I932 V1102 A1103 S1104 S1109 L1110 | I882-I1106 HydrophobicContact CD1-CG1 3.86Å; I887-I1106 HydrophobicContact CD1-CD1 4.46Å; I887-I1106 HydrophobicContact CD1-CG1 4.12Å; I887-I1106 HydrophobicContact CD1-CG2 3.85Å; L914-I1106 HydrophobicContact CD1-CG2 4.4Å; L914-I1106 HydrophobicContact CD2-CB 4.32Å; L914-I1106 HydrophobicContact CD2-CG2 4.02Å; L930-I1106 HydrophobicContact CD2-CD1 4.4Å; I932-I1106 HydrophobicContact CD1-CD1 4.09Å; V1102-I1106 HydrophobicContact CG1-CD1 4.11Å; V1102-I1106 WeakPolarHBondContact O-CG1 3.35Å; V1102-I1106 PolarHBondContact O-N 3.26Å; V1102-I1106 VanDerWaalsContact O-N 3.08Å; A1103-I1106 PolarHBondContact O-N 3.03Å; S1104-I1106 VanDerWaalsContact C-N 3.32Å; S1104-I1106 PolarHBondContact O-N 3.42Å; I1106-S1109 PolarHBondContact O-N 2.91Å; I1106-L1110 HydrophobicContact CG2-CD1 3.8Å; I1106-L1110 HydrophobicContact CG2-CG 4.32Å; I1106-L1110 WeakPolarHBondContact O-CB 3.19Å; I1106-L1110 VanDerWaalsContact O-CG 3.31Å; I1106-L1110 WeakPolarHBondContact O-CG 3.36Å; I1106-L1110 PolarHBondContact O-N 3.05Å |
| 1107 | I | 87.4 | Confident | 84.3 | Confident | 28 Ų | 28 | 43.5 Ų | 43.5 | 14% | 0.144 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 177.8 | -73.7 | 171.7 | 0 | 0 | 0 | 112.6 | L914 A1103 S1104 S1109 L1110 H1111 L1119 | L914-I1107 HydrophobicContact CD2-CD1 3.93Å; L914-I1107 HydrophobicContact CD2-CG1 3.78Å; A1103-I1107 WeakPolarHBondContact O-CG1 3.34Å; A1103-I1107 PolarHBondContact O-N 2.8Å; S1104-I1107 PolarHBondContact O-N 3.37Å; I1107-S1109 PolarHBondContact O-N 3.41Å; I1107-L1110 HydrophobicContact CG1-CD1 4.45Å; I1107-L1110 PolarHBondContact O-N 3.17Å; I1107-H1111 WeakPolarHBondContact O-CB 3.38Å; I1107-H1111 PolarHBondContact O-CD2 2.88Å; I1107-H1111 PolarHBondContact O-N 2.85Å; I1107-L1119 HydrophobicContact CD1-CB 3.61Å |
| 1108 | I | 84.7 | Confident | 84.4 | Confident | 117 Ų | 117 | 46.7 Ų | 46.7 | 60% | 0.6 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -58.9 | -40.8 | 174.5 | -70.1 | 163.1 | 0 | 0 | 0 | 110.6 | S1104 T1105 S1112 | S1104-I1108 WeakPolarHBondContact O-CG1 3.47Å; S1104-I1108 PolarHBondContact O-N 3.49Å; T1105-I1108 PolarHBondContact O-N 3.44Å; I1108-S1112 PolarHBondContact O-N 2.75Å |
| 1109 | S | 84.6 | Confident | 84.6 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.3 | -43.3 | 178.8 | -49.7 | 0 | 0 | 0 | 0 | 111.5 | F858 I882 T1105 I1106 I1107 H1111 S1112 A1113 | F858-S1109 WeakPolarHBondContact CD2-OG 3.16Å; I882-S1109 WeakPolarHBondContact CG2-OG 3.44Å; T1105-S1109 PolarHBondContact O-N 2.86Å; T1105-S1109 VanDerWaalsContact O-N 3.11Å; T1105-S1109 PolarHBondContact O-OG 2.95Å; I1106-S1109 PolarHBondContact O-N 2.91Å; I1107-S1109 PolarHBondContact O-N 3.41Å; S1109-H1111 PolarHBondContact O-N 3.38Å; S1109-S1112 PolarHBondContact O-N 2.64Å; S1109-S1112 VanDerWaalsContact O-N 3.13Å; S1109-S1112 PolarHBondContact O-OG 3.45Å; S1109-A1113 PolarHBondContact O-N 2.97Å |
| 1110 | L | 86.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.5 | -47.4 | 172.3 | -75.1 | 166 | 0 | 0 | 0 | 111.9 | L908 I911 I1106 I1107 S1112 A1113 G1114 N1115 L1117 | L908-L1110 HydrophobicContact CB-CD2 4.07Å; L908-L1110 HydrophobicContact CD2-CD2 3.78Å; L908-L1110 HydrophobicContact CD2-CG 3.94Å; L908-L1110 WeakPolarHBondContact O-CD2 3.37Å; I911-L1110 HydrophobicContact CB-CD2 4Å; I911-L1110 HydrophobicContact CD1-CD2 4.23Å; I911-L1110 HydrophobicContact CG2-CD1 4.38Å; I911-L1110 HydrophobicContact CG2-CD2 4.39Å; I1106-L1110 HydrophobicContact CG2-CD1 3.8Å; I1106-L1110 HydrophobicContact CG2-CG 4.32Å; I1106-L1110 WeakPolarHBondContact O-CB 3.19Å; I1106-L1110 VanDerWaalsContact O-CG 3.31Å; I1106-L1110 WeakPolarHBondContact O-CG 3.36Å; I1106-L1110 PolarHBondContact O-N 3.05Å; I1107-L1110 HydrophobicContact CG1-CD1 4.45Å; I1107-L1110 PolarHBondContact O-N 3.17Å; L1110-S1112 VanDerWaalsContact C-N 3.32Å; L1110-S1112 PolarHBondContact O-N 2.92Å; L1110-A1113 CarbonylContact O-C 3.51Å; L1110-A1113 PolarHBondContact O-N 2.92Å; L1110-A1113 VanDerWaalsContact O-N 3.12Å; L1110-G1114 PolarHBondContact O-N 2.83Å; L1110-N1115 CarbonylContact C-O 3.52Å; L1110-N1115 VanDerWaalsContact C-O 3.28Å; L1110-N1115 HydrophobicContact CB-CB 4.37Å; L1110-N1115 WeakPolarHBondContact CB-O 3.47Å; L1110-N1115 HydrophobicContact CD2-CB 4.13Å; L1110-N1115 PolarHBondContact O-N 3.16Å; L1110-L1117 HydrophobicContact CD1-CB 4.41Å; L1110-L1117 HydrophobicContact CD1-CD1 4.21Å |
| 1111 | H | 85.7 | Confident | 84.2 | Confident | 90 Ų | 90 | 52.1 Ų | 52.1 | 42% | 0.417 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63 | -37.4 | 176.6 | -77.4 | -144.4 | 0 | 0 | 0 | 111.9 | I1107 S1109 A1113 G1114 N1115 | I1107-H1111 WeakPolarHBondContact O-CB 3.38Å; I1107-H1111 PolarHBondContact O-CD2 2.88Å; I1107-H1111 PolarHBondContact O-N 2.85Å; S1109-H1111 PolarHBondContact O-N 3.38Å; H1111-A1113 VanDerWaalsContact C-N 3.27Å; H1111-A1113 PolarHBondContact O-N 3.39Å; H1111-G1114 PolarHBondContact O-N 3.13Å; H1111-N1115 PolarHBondContact CD2-O 3.38Å |
| 1112 | S | 82.1 | Confident | 83.4 | Confident | 67 Ų | 67 | 52 Ų | 52 | 47% | 0.469 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.7 | -29.9 | 174.8 | 78.1 | 0 | 0 | 0 | 0 | 113.1 | F858 I1108 S1109 L1110 G1114 | F858-S1112 WeakPolarHBondContact CE2-OG 3.28Å; I1108-S1112 PolarHBondContact O-N 2.75Å; S1109-S1112 PolarHBondContact O-N 2.64Å; S1109-S1112 VanDerWaalsContact O-N 3.13Å; S1109-S1112 PolarHBondContact O-OG 3.45Å; L1110-S1112 VanDerWaalsContact C-N 3.32Å; L1110-S1112 PolarHBondContact O-N 2.92Å; S1112-G1114 VanDerWaalsContact C-N 3.29Å |
| 1113 | A | 81 | Confident | 82 | Confident | 32 Ų | 32 | 60.5 Ų | 60.5 | 26% | 0.264 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 6.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L908 S1109 L1110 H1111 | L908-A1113 HydrophobicContact CB-CB 3.92Å; L908-A1113 HydrophobicContact CD1-CB 3.97Å; S1109-A1113 PolarHBondContact O-N 2.97Å; L1110-A1113 CarbonylContact O-C 3.51Å; L1110-A1113 PolarHBondContact O-N 2.92Å; L1110-A1113 VanDerWaalsContact O-N 3.12Å; H1111-A1113 VanDerWaalsContact C-N 3.27Å; H1111-A1113 PolarHBondContact O-N 3.39Å |
| 1114 | G | 80.5 | Confident | 80.2 | Confident | 53 Ų | 53 | 64.1 Ų | 64.1 | 55% | 0.546 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 3.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116 | L1110 H1111 S1112 | L1110-G1114 PolarHBondContact O-N 2.83Å; H1111-G1114 PolarHBondContact O-N 3.13Å; S1112-G1114 VanDerWaalsContact C-N 3.29Å |
| 1115 | N | 80.6 | Confident | 78.1 | Confident | 30 Ų | 30 | 67.1 Ų | 67.1 | 16% | 0.16 | 37% | 0.373 | C | S | . | . | trans | -93.7 | 99.4 | -179.5 | -165.8 | 3.5 | 0 | 0 | 0 | 111 | L908 I911 L1110 H1111 L1117 | L908-N1115 PolarHBondContact O-ND2 3.49Å; I911-N1115 PolarHBondContact O-ND2 3.09Å; L1110-N1115 CarbonylContact C-O 3.52Å; L1110-N1115 VanDerWaalsContact C-O 3.28Å; L1110-N1115 HydrophobicContact CB-CB 4.37Å; L1110-N1115 WeakPolarHBondContact CB-O 3.47Å; L1110-N1115 HydrophobicContact CD2-CB 4.13Å; L1110-N1115 PolarHBondContact O-N 3.16Å; H1111-N1115 PolarHBondContact CD2-O 3.38Å; N1115-L1117 PolarHBondContact O-N 3Å; N1115-L1117 VanDerWaalsContact O-N 3.12Å | ||
| 1116 | N | 80.9 | Confident | 75.9 | Confident | 124 Ų | 124 | 73 Ų | 73 | 66% | 0.663 | 40% | 0.401 | S | S | * | . | trans | -84.8 | 78.5 | -174.5 | -66.1 | -60.9 | 0 | 0 | 0 | 112.2 | ||||
| 1117 | L | 84.3 | Confident | 73.4 | Confident | 31 Ų | 31 | 79.3 Ų | 79.3 | 16% | 0.162 | 43% | 0.429 | C | S | . | . | trans | -104.4 | 132.3 | 178 | -65.4 | -179 | 0 | 0 | 0 | 113.1 | I911 E912 L1110 N1115 | I911-L1117 HydrophobicContact CG2-CD1 3.96Å; I911-L1117 WeakPolarHBondContact O-CD1 3.47Å; E912-L1117 WeakPolarHBondContact O-CD2 3.28Å; L1110-L1117 HydrophobicContact CD1-CB 4.41Å; L1110-L1117 HydrophobicContact CD1-CD1 4.21Å; N1115-L1117 PolarHBondContact O-N 3Å; N1115-L1117 VanDerWaalsContact O-N 3.12Å | ||
| 1118 | E | 82.5 | Confident | 70.9 | Confident | 172 Ų | 172 | 84.3 Ų | 84.3 | 80% | 0.804 | 46% | 0.455 | S | S | * | . | trans | -87.1 | 150.4 | 173 | -62.2 | -168.5 | 156.1 | 0 | 0 | 112.7 | I1120 | E1118-I1120 PolarHBondContact O-N 2.93Š| ||
| 1119 | L | 85.4 | Confident | 68.7 | Low | 40 Ų | 40 | 83.7 Ų | 83.7 | 21% | 0.209 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 117 | 172.1 | -176.6 | 58.4 | 0 | 0 | 0 | 111 | L914 L916 A1103 I1107 E1121 | L914-L1119 HydrophobicContact CB-CD1 4.31Å; L914-L1119 HydrophobicContact CD2-CD1 4.05Å; L914-L1119 HydrophobicContact CG-CD1 3.91Å; L916-L1119 HydrophobicContact CB-CD1 4.05Å; L916-L1119 HydrophobicContact CB-CD2 4.4Å; L916-L1119 HydrophobicContact CB-CG 4.43Å; L916-L1119 HydrophobicContact CD2-CD2 4.35Å; A1103-L1119 HydrophobicContact CB-CD1 3.91Å; A1103-L1119 HydrophobicContact CB-CD2 3.87Å; I1107-L1119 HydrophobicContact CD1-CB 3.61Å; L1119-E1121 HydrophobicContact CD2-CG 4.16Å; L1119-E1121 HydrophobicContact CG-CG 4.19Å; L1119-E1121 PolarHBondContact O-N 3.17Å |
| 1120 | I | 85.1 | Confident | 66.3 | Low | 67 Ų | 67 | 93.2 Ų | 93.2 | 34% | 0.344 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 95 | 175.6 | -57.8 | -179 | 0 | 0 | 0 | 109.5 | R913 L914 E915 L916 E1118 T1122 | R913-I1120 HydrophobicContact CG-CD1 3.96Å; L914-I1120 PolarHBondContact O-N 3.26Å; E915-I1120 WeakPolarHBondContact CA-O 3.48Å; E915-I1120 HydrophobicContact CG-CB 4.19Å; E915-I1120 HydrophobicContact CG-CG2 4.45Å; L916-I1120 PolarHBondContact N-O 3.42Å; E1118-I1120 PolarHBondContact O-N 2.93Å; I1120-T1122 HydrophobicContact CG2-CG2 4.44Å; I1120-T1122 PolarHBondContact O-N 3.29Å |
| 1121 | E | 78.8 | Confident | 64 | Low | 80 Ų | 80 | 98.6 Ų | 98.6 | 37% | 0.374 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 109.6 | 171.7 | -68.4 | -160.3 | 176.4 | 0 | 0 | 112.2 | L916 R1100 L1119 K1123 | L916-E1121 WeakPolarHBondContact O-CA 3.36Å; R1100-E1121 IonicContact CZ-OE1 2.77Å; R1100-E1121 IonicContact CZ-OE2 2.71Å; R1100-E1121 IonicContact NE-OE1 2.74Å; R1100-E1121 PolarHBondContact NE-OE1 3.44Å; R1100-E1121 IonicContact NE-OE2 3.78Å; R1100-E1121 IonicContact NH2-OE1 2.64Å; R1100-E1121 PolarHBondContact NH2-OE1 3.37Å; R1100-E1121 IonicContact NH2-OE2 2.74Å; R1100-E1121 PolarHBondContact NH2-OE2 3.03Å; L1119-E1121 HydrophobicContact CD2-CG 4.16Å; L1119-E1121 HydrophobicContact CG-CG 4.19Å; L1119-E1121 PolarHBondContact O-N 3.17Å; E1121-K1123 PolarHBondContact O-N 3.41Å |
| 1122 | T | 69.5 | Low | 61.6 | Low | 61 Ų | 61 | 104.8 Ų | 104.8 | 37% | 0.374 | 53% | 0.533 | S | S | . | . | trans | -84 | 105.1 | 173.2 | 56.6 | 0 | 0 | 0 | 0 | 110.5 | L916 G917 I1120 | L916-T1122 PolarHBondContact O-N 3.17Å; L916-T1122 PolarHBondContact O-OG1 3.3Å; G917-T1122 WeakPolarHBondContact CA-OG1 3.43Å; I1120-T1122 HydrophobicContact CG2-CG2 4.44Å; I1120-T1122 PolarHBondContact O-N 3.29Å | ||
| 1123 | K | 54.5 | Low | 59.7 | Low | 182 Ų | 182 | 109.5 Ų | 109.5 | 79% | 0.791 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 141.9 | -179.9 | -68.2 | 178.7 | -179.1 | 173.3 | 0 | 111.4 | E1121 | E1121-K1123 PolarHBondContact O-N 3.41Š|
| 1124 | P | 50.8 | Low | 57.5 | Low | 76 Ų | 76 | 110.5 Ų | 110.5 | 49% | 0.494 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 139.7 | 173.8 | 26 | -34.5 | 0 | 0 | 0 | 110.7 | L918 I1126 | L918-P1124 HydrophobicContact CD1-CB 3.99Å; P1124-I1126 PolarHBondContact O-N 2.97Å |
| 1125 | P | 44 | Very low | 55.3 | Low | 119 Ų | 119 | 116 Ų | 116 | 77% | 0.773 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -62 | 130.1 | -176.5 | 23.4 | -33 | 0 | 0 | 0 | 111.5 | K1127 | P1125-K1127 PolarHBondContact O-N 3.04Å; P1125-K1127 VanDerWaalsContact O-N 3.08Å |
| 1126 | I | 37.9 | Very low | 53.1 | Low | 161 Ų | 161 | 120.5 Ų | 120.5 | 83% | 0.826 | 60% | 0.597 | S | S | * | * | trans | -67.9 | 110 | -164.5 | -61.4 | 174.7 | 0 | 0 | 0 | 112 | P1124 | P1124-I1126 PolarHBondContact O-N 2.97Š| ||
| 1127 | K | 34.4 | Very low | 51.1 | Low | 135 Ų | 135 | 118.9 Ų | 118.9 | 59% | 0.587 | 59% | 0.592 | S | S | * | * | trans | 40.3 | 91 | 160.1 | -78 | -165.8 | 168.5 | -154.8 | 0 | 116.8 | P1125 Q1129 R1130 | P1125-K1127 PolarHBondContact O-N 3.04Å; P1125-K1127 VanDerWaalsContact O-N 3.08Å; K1127-Q1129 HydrophobicContact CB-CB 4.21Å; K1127-Q1129 HydrophobicContact CD-CB 4.44Å; K1127-Q1129 PolarHBondContact O-N 2.87Å; K1127-R1130 PolarHBondContact O-N 3.3Å; K1127-R1130 VanDerWaalsContact O-N 3.08Å | ||
| 1128 | L | 34.6 | Very low | 48.7 | Very low | 132 Ų | 132 | 126.2 Ų | 126.2 | 69% | 0.691 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.3 | -10.4 | 155.9 | -113.2 | 154 | 0 | 0 | 0 | 114.2 | R1130 L1131 R1132 | L1128-R1130 VanDerWaalsContact C-N 3.28Å; L1128-R1130 PolarHBondContact O-N 2.93Å; L1128-L1131 HydrophobicContact CD2-CB 3.93Å; L1128-L1131 HydrophobicContact CD2-CD1 4.09Å; L1128-L1131 HydrophobicContact CG-CD1 4.36Å; L1128-L1131 PolarHBondContact O-N 2.85Å; L1128-R1132 PolarHBondContact O-N 3.01Å |
| 1129 | Q | 39.3 | Very low | 46.7 | Very low | 104 Ų | 104 | 122.4 Ų | 122.4 | 49% | 0.486 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.5 | -35.3 | 167.5 | -102.3 | 174.5 | -7.6 | 0 | 0 | 113.2 | K1127 | K1127-Q1129 HydrophobicContact CB-CB 4.21Å; K1127-Q1129 HydrophobicContact CD-CB 4.44Å; K1127-Q1129 PolarHBondContact O-N 2.87Å |
| 1130 | R | 34.7 | Very low | 44.3 | Very low | 202 Ų | 202 | 127.6 Ų | 127.6 | 76% | 0.762 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -31.6 | 176 | -78.7 | -176 | 172 | 168 | -2.4 | 113.2 | K1127 L1128 R1132 Q1133 | K1127-R1130 PolarHBondContact O-N 3.3Å; K1127-R1130 VanDerWaalsContact O-N 3.08Å; L1128-R1130 VanDerWaalsContact C-N 3.28Å; L1128-R1130 PolarHBondContact O-N 2.93Å; R1130-R1132 VanDerWaalsContact C-N 3.27Å; R1130-R1132 PolarHBondContact O-N 3.18Å; R1130-Q1133 PolarHBondContact O-N 2.7Å |
| 1131 | L | 38.2 | Very low | 41.8 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 59% | 0.586 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -71.3 | -19.9 | 174.5 | -83.2 | 166.2 | 0 | 0 | 0 | 113.2 | L1128 Q1133 | L1128-L1131 HydrophobicContact CD2-CB 3.93Å; L1128-L1131 HydrophobicContact CD2-CD1 4.09Å; L1128-L1131 HydrophobicContact CG-CD1 4.36Å; L1128-L1131 PolarHBondContact O-N 2.85Å; L1131-Q1133 PolarHBondContact O-N 2.95Å |
| 1132 | R | 35 | Very low | 39.6 | Very low | 221 Ų | 221 | 132.1 Ų | 132.1 | 83% | 0.834 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -74.5 | -5 | 167.5 | -75.4 | -176 | 173.2 | 168.9 | -0.8 | 114.2 | L1128 R1130 | L1128-R1132 PolarHBondContact O-N 3.01Å; R1130-R1132 VanDerWaalsContact C-N 3.27Å; R1130-R1132 PolarHBondContact O-N 3.18Å |
| 1133 | Q | 41.1 | Very low | 37.8 | Very low | 165 Ų | 165 | 136 Ų | 136 | 77% | 0.771 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -116.1 | 3.5 | 179.6 | -65.2 | 178.4 | -40 | 0 | 0 | 112.7 | R1130 L1131 | R1130-Q1133 PolarHBondContact O-N 2.7Å; L1131-Q1133 PolarHBondContact O-N 2.95Å |
| 1134 | A | 36.4 | Very low | 36.7 | Very low | 53 Ų | 53 | 131.4 Ų | 131.4 | 44% | 0.438 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -99.8 | 124.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1136 | A1134-L1136 PolarHBondContact O-N 3.23Å; A1134-L1136 VanDerWaalsContact O-N 3.13Å |
| 1135 | N | 34.1 | Very low | 35.7 | Very low | 168 Ų | 168 | 131.5 Ų | 131.5 | 90% | 0.898 | 68% | 0.677 | S | S | * | * | trans | -70.2 | 103.9 | 176.2 | -73 | -38.2 | 0 | 0 | 0 | 110.7 | ||||
| 1136 | L | 34.3 | Very low | 35.1 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 66% | 0.66 | 68% | 0.677 | S | S | * | * | trans | -74.4 | 141.1 | 168.7 | -91.6 | 81 | 0 | 0 | 0 | 111 | A1134 | A1134-L1136 PolarHBondContact O-N 3.23Å; A1134-L1136 VanDerWaalsContact O-N 3.13Å | ||
| 1137 | P | 37.8 | Very low | 34.8 | Very low | 89 Ų | 89 | 133.3 Ų | 133.3 | 58% | 0.578 | 68% | 0.675 | S | S | * | * | trans | -61.7 | 148 | 179.5 | -25 | 35 | 0 | 0 | 0 | 114.3 | A1139 Y1140 | P1137-A1139 PolarHBondContact O-N 3.5Å; P1137-Y1140 PolarHBondContact O-N 3.12Å | ||
| 1138 | K | 35 | Very low | 34.7 | Very low | 185 Ų | 185 | 131.5 Ų | 131.5 | 80% | 0.804 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -54.3 | -23.8 | -179 | -69.2 | -177.5 | 176.8 | 179.2 | 0 | 114.8 | Y1140 Q1141 | K1138-Y1140 PolarHBondContact O-N 3.43Å; K1138-Q1141 PolarHBondContact O-N 3.1Å |
| 1139 | A | 40 | Very low | 34.5 | Very low | 92 Ų | 92 | 131.8 Ų | 131.8 | 76% | 0.76 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -65.5 | -17.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P1137 | P1137-A1139 PolarHBondContact O-N 3.5Š|
| 1140 | Y | 34.1 | Very low | 34 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 59% | 0.588 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -108.6 | 15.8 | -178.8 | -71.7 | -83.2 | 0 | 0 | 0 | 114 | I1055 P1137 K1138 P1142 | I1055-Y1140 WeakPolarHBondContact CD1-OH 3.21Å; I1055-Y1140 WeakPolarHBondContact CG1-OH 3.48Å; P1137-Y1140 PolarHBondContact O-N 3.12Å; K1138-Y1140 PolarHBondContact O-N 3.43Å; Y1140-P1142 WeakPolarHBondContact O-CD 3.39Å |
| 1141 | Q | 34.1 | Very low | 33.8 | Very low | 145 Ų | 145 | 125 Ų | 125 | 68% | 0.678 | 68% | 0.683 | S | S | * | * | trans | -86.2 | 113 | 169.1 | -68.7 | -175.3 | -35.2 | 0 | 0 | 109.5 | K1138 | K1138-Q1141 PolarHBondContact O-N 3.1Š| ||
| 1142 | P | 31 | Very low | 33.3 | Very low | 97 Ų | 97 | 123.1 Ų | 123.1 | 63% | 0.63 | 69% | 0.691 | S | S | * | * | trans | -64.3 | 148 | 170.4 | 28.5 | -34.2 | 0 | 0 | 0 | 109.8 | Y1140 V1144 | Y1140-P1142 WeakPolarHBondContact O-CD 3.39Å; P1142-V1144 VanDerWaalsContact C-N 3.29Å; P1142-V1144 PolarHBondContact O-N 3.31Å | ||
| 1143 | P | 31.7 | Very low | 33.2 | Very low | 142 Ų | 142 | 120 Ų | 120 | 92% | 0.922 | 69% | 0.691 | S | S | * | * | trans | -73.4 | 81.1 | -175.7 | 30.6 | -35.9 | 0 | 0 | 0 | 111.5 | ||||
| 1144 | V | 32.1 | Very low | 32.5 | Very low | 86 Ų | 86 | 123.6 Ų | 123.6 | 52% | 0.521 | 70% | 0.697 | S | S | . | * | trans | -101.1 | 112.8 | 167.7 | -177.1 | 0 | 0 | 0 | 0 | 107.4 | P1142 L1146 | P1142-V1144 VanDerWaalsContact C-N 3.29Å; P1142-V1144 PolarHBondContact O-N 3.31Å; V1144-L1146 WeakPolarHBondContact O-CD1 3.44Å; V1144-L1146 PolarHBondContact O-N 2.84Å; V1144-L1146 VanDerWaalsContact O-N 3.09Å | ||
| 1145 | D | 30.9 | Very low | 32.2 | Very low | 78 Ų | 78 | 125.7 Ų | 125.7 | 42% | 0.417 | 71% | 0.714 | S | S | . | * | trans | -63.3 | 110.1 | 176.7 | 166 | 40.2 | 0 | 0 | 0 | 110.8 | Q1147 T1148 | D1145-Q1147 PolarHBondContact O-N 3.4Å; D1145-Q1147 WeakPolarHBondContact OD1-CB 3.35Å; D1145-Q1147 PolarHBondContact OD1-N 3.49Å; D1145-T1148 PolarHBondContact O-N 3.19Å; D1145-T1148 PolarHBondContact O-OG1 2.78Å; D1145-T1148 VanDerWaalsContact O-OG1 3.14Å; D1145-T1148 WeakPolarHBondContact OD2-CB 3.48Å; D1145-T1148 VanDerWaalsContact OD2-CG2 3.31Å; D1145-T1148 WeakPolarHBondContact OD2-CG2 3.32Å; D1145-T1148 PolarHBondContact OD2-N 2.84Å; D1145-T1148 VanDerWaalsContact OD2-N 3.1Å; D1145-T1148 PolarHBondContact OD2-OG1 3.2Å | ||
| 1146 | L | 30.5 | Very low | 31.8 | Very low | 147 Ų | 147 | 126.5 Ų | 126.5 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -69.9 | -12.3 | 178.4 | -101.6 | 75.9 | 0 | 0 | 0 | 113.4 | V1144 | V1144-L1146 WeakPolarHBondContact O-CD1 3.44Å; V1144-L1146 PolarHBondContact O-N 2.84Å; V1144-L1146 VanDerWaalsContact O-N 3.09Å |
| 1147 | Q | 32.1 | Very low | 31.5 | Very low | 170 Ų | 170 | 123.4 Ų | 123.4 | 79% | 0.794 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -76.7 | -23.8 | 175.6 | -55.9 | -164.1 | 6.7 | 0 | 0 | 112.7 | D1145 | D1145-Q1147 PolarHBondContact O-N 3.4Å; D1145-Q1147 WeakPolarHBondContact OD1-CB 3.35Å; D1145-Q1147 PolarHBondContact OD1-N 3.49Å |
| 1148 | T | 31.5 | Very low | 31 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 60% | 0.595 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -91.8 | -16.5 | 178.1 | 38.6 | 0 | 0 | 0 | 0 | 115.4 | D1145 | D1145-T1148 PolarHBondContact O-N 3.19Å; D1145-T1148 PolarHBondContact O-OG1 2.78Å; D1145-T1148 VanDerWaalsContact O-OG1 3.14Å; D1145-T1148 WeakPolarHBondContact OD2-CB 3.48Å; D1145-T1148 VanDerWaalsContact OD2-CG2 3.31Å; D1145-T1148 WeakPolarHBondContact OD2-CG2 3.32Å; D1145-T1148 PolarHBondContact OD2-N 2.84Å; D1145-T1148 VanDerWaalsContact OD2-N 3.1Å; D1145-T1148 PolarHBondContact OD2-OG1 3.2Å |
| 1149 | L | 29.6 | Very low | 30.7 | Very low | 138 Ų | 138 | 134 Ų | 134 | 72% | 0.723 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -90.8 | -16.6 | 172.2 | -104 | 76.1 | 0 | 0 | 0 | 114.8 | S1151 | L1149-S1151 VanDerWaalsContact C-N 3.34Å; L1149-S1151 PolarHBondContact O-N 3.46Å |
| 1150 | G | 30.4 | Very low | 30 | Very low | 71 Ų | 71 | 138.3 Ų | 138.3 | 73% | 0.732 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -78.6 | -6.9 | -177 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1151 | S | 30 | Very low | 29.6 | Very low | 92 Ų | 92 | 135.8 Ų | 135.8 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -114.9 | -2.4 | -161.4 | 51.3 | 0 | 0 | 0 | 0 | 115.8 | L1149 L1153 | L1149-S1151 VanDerWaalsContact C-N 3.34Å; L1149-S1151 PolarHBondContact O-N 3.46Å; S1151-L1153 PolarHBondContact O-N 3.31Å |
| 1152 | G | 27.2 | Very low | 29.2 | Very low | 74 Ų | 74 | 133.5 Ų | 133.5 | 76% | 0.763 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -83 | -1.3 | -179 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 1153 | L | 32.7 | Very low | 28.9 | Very low | 156 Ų | 156 | 135 Ų | 135 | 82% | 0.817 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -115.8 | 45.7 | -167.5 | -84.8 | 167.2 | 0 | 0 | 0 | 115.1 | S1151 | S1151-L1153 PolarHBondContact O-N 3.31Š|
| 1154 | R | 27.9 | Very low | 28.6 | Very low | 239 Ų | 239 | 133.7 Ų | 133.7 | 90% | 0.902 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -174 | 136.6 | 148.2 | -110.8 | 162.3 | -84.3 | -151.6 | -2.3 | 113.4 | ||
| 1155 | A | 28.5 | Very low | 28.4 | Very low | 97 Ų | 97 | 133.8 Ų | 133.8 | 80% | 0.802 | 72% | 0.72 | S | S | * | * | trans | 68.9 | 161.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1156 | M | 26.6 | Very low | 28.3 | Very low | 186 Ų | 186 | 137 Ų | 137 | 92% | 0.916 | 74% | 0.736 | S | S | * | * | trans | 64.8 | 110.6 | -172.9 | -51.6 | -70.9 | -81.5 | 0 | 0 | 113.8 | ||||
| 1157 | G | 28.1 | Very low | 28.2 | Very low | 61 Ų | 61 | 141.5 Ų | 141.5 | 63% | 0.629 | 74% | 0.743 | S | S | * | * | cis | 95.2 | 99.5 | 0.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1158 | R | 26.7 | Very low | 28.1 | Very low | 257 Ų | 257 | 136.8 Ų | 136.8 | 97% | 0.97 | 74% | 0.74 | S | S | * | * | trans | 73 | 141.6 | 177.6 | -59.1 | -175 | 175.5 | -167.4 | -0.8 | 116.7 | ||||
| 1159 | R | 28.6 | Very low | 28.1 | Very low | 238 Ų | 238 | 143 Ų | 143 | 90% | 0.898 | 75% | 0.753 | S | S | * | * | trans | -39.3 | 158.6 | 171 | -57.4 | 165.2 | 167.1 | 166.4 | -7.3 | 113.5 | ||||
| 1160 | R | 26.6 | Very low | 28.3 | Very low | 184 Ų | 184 | 144.3 Ų | 144.3 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | -169.4 | 131.6 | 106 | -102.4 | -178.6 | 151.3 | -178.2 | -22.1 | 115.9 | |||||
| 1161 | E | 25.9 | Very low | 28.3 | Very low | 96 Ų | 96 | 150.6 Ų | 150.6 | 45% | 0.449 | 76% | 0.756 | S | S | . | * | trans | 49 | 111.2 | 131 | -68.4 | 153.5 | -163.9 | 0 | 0 | 120.7 | ||||
| 1162 | S | 24 | Very low | 28.4 | Very low | 98 Ų | 98 | 153.4 Ų | 153.4 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | S | Bend | -75.5 | 118.5 | 105.2 | 64 | 0 | 0 | 0 | 0 | 107.7 | |||
| 1163 | Q | 25.5 | Very low | 28.6 | Very low | 128 Ų | 128 | 154.1 Ų | 154.1 | 60% | 0.598 | 76% | 0.755 | S | S | * | * | S | Bend | cis | -138 | 171.8 | 6.2 | -58.1 | 174.1 | -113.6 | 0 | 0 | 110 | ||
| 1164 | T | 26.1 | Very low | 28.4 | Very low | 114 Ų | 114 | 157.9 Ų | 157.9 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | trans | 82 | 72.9 | 165.4 | 65.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1165 | S | 27.3 | Very low | 28.5 | Very low | 89 Ų | 89 | 152.1 Ų | 152.1 | 62% | 0.622 | 75% | 0.75 | S | S | * | * | 105.4 | 131.9 | 118 | 79.8 | 0 | 0 | 0 | 0 | 123 | |||||
| 1166 | L | 28 | Very low | 28.5 | Very low | 145 Ų | 145 | 152.2 Ų | 152.2 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | trans | 70.9 | 109.4 | 142.2 | -67.1 | 164.2 | 0 | 0 | 0 | 124 | ||||
| 1167 | R | 28.6 | Very low | 28.6 | Very low | 241 Ų | 241 | 150.7 Ų | 150.7 | 91% | 0.909 | 74% | 0.739 | S | S | * | * | trans | 63 | 124 | 135 | -67.8 | -179.5 | 172.6 | -173.3 | -2.2 | 122.9 | ||||
| 1168 | G | 30.9 | Very low | 28.6 | Very low | 72 Ų | 72 | 153.3 Ų | 153.3 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | 137.2 | 88.8 | 118 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 1169 | R | 31.5 | Very low | 28.7 | Very low | 228 Ų | 228 | 148.5 Ų | 148.5 | 86% | 0.86 | 73% | 0.732 | S | S | * | * | trans | 44.6 | 119.3 | 137 | -64.1 | -172.6 | 168.7 | 167.4 | -2.8 | 121.4 | ||||
| 1170 | H | 33.5 | Very low | 28.6 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | 82.3 | 151.2 | 89.7 | -66.8 | -33.6 | 0 | 0 | 0 | 116.1 | |||||
| 1171 | R | 31.1 | Very low | 28.9 | Very low | 203 Ų | 203 | 140.1 Ų | 140.1 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | cis | -160.9 | 149.2 | -3.8 | -133.5 | -173.8 | 161.4 | 153.7 | -5.5 | 112 | ||||
| 1172 | M | 31 | Very low | 29 | Very low | 151 Ų | 151 | 143.1 Ų | 143.1 | 74% | 0.744 | 75% | 0.745 | S | S | * | * | trans | 36.9 | 156.5 | 134 | -74.7 | 177.8 | 158 | 0 | 0 | 124 | ||||
| 1173 | S | 30.7 | Very low | 29.5 | Very low | 90 Ų | 90 | 143.2 Ų | 143.2 | 63% | 0.629 | 74% | 0.743 | S | S | * | * | cis | 179.9 | 154.3 | -11.7 | 53.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1174 | R | 29.8 | Very low | 29.6 | Very low | 234 Ų | 234 | 143.4 Ų | 143.4 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | trans | 67.2 | 169.5 | 153.6 | -77.3 | -174.9 | 164.3 | 166.9 | -5.6 | 116.9 | ||||
| 1175 | T | 29.9 | Very low | 29.7 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | cis | -172.2 | 162.5 | -23.1 | 32.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1176 | S | 28.4 | Very low | 29.8 | Very low | 99 Ų | 99 | 147.8 Ų | 147.8 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | cis | 179.5 | 175.6 | -22 | 55.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1177 | L | 28 | Very low | 29.8 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | trans | 90.1 | 138.9 | 165.7 | -72.7 | 162.9 | 0 | 0 | 0 | 121 | ||||
| 1178 | T | 28.2 | Very low | 30 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | trans | 73.9 | 132 | 148.1 | 41.2 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 1179 | H | 29.8 | Very low | 29.8 | Very low | 156 Ų | 156 | 143.5 Ų | 143.5 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | trans | 76.3 | 116.5 | 148 | -76.1 | -61.8 | 0 | 0 | 0 | 124.9 | ||||
| 1180 | N | 26.8 | Very low | 29.8 | Very low | 134 Ų | 134 | 139 Ų | 139 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | trans | 75.8 | 155.8 | 132.1 | -61.8 | 6.1 | 0 | 0 | 0 | 123.6 | ||||
| 1181 | S | 31.3 | Very low | 29.6 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | trans | 67.6 | 90.3 | 158.1 | 31.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1182 | I | 29.4 | Very low | 29.4 | Very low | 159 Ų | 159 | 134 Ų | 134 | 82% | 0.815 | 75% | 0.752 | S | S | * | * | -3.9 | 142.8 | 114.6 | -57 | 171.3 | 0 | 0 | 0 | 115.5 | |||||
| 1183 | P | 34.7 | Very low | 29.5 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | cis | -139.8 | -158.7 | -18.7 | 41.1 | -20.3 | 0 | 0 | 0 | 115 | ||||
| 1184 | D | 27.7 | Very low | 29.3 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | 83.9 | 107.8 | 143.3 | -72.8 | -7.5 | 0 | 0 | 0 | 126.2 | ||||
| 1185 | T | 27.6 | Very low | 29.3 | Very low | 110 Ų | 110 | 131 Ų | 131 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | 91.2 | 145.5 | 124.8 | 66.4 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 1186 | H | 29.7 | Very low | 29.2 | Very low | 186 Ų | 186 | 132.1 Ų | 132.1 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | trans | 72.2 | 143.6 | 151.6 | -69.3 | -55.7 | 0 | 0 | 0 | 124 | ||||
| 1187 | G | 28.3 | Very low | 29.3 | Very low | 69 Ų | 69 | 133.2 Ų | 133.2 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | trans | 97.8 | 140.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1188 | I | 31.1 | Very low | 29.2 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 86% | 0.862 | 76% | 0.763 | S | S | * | * | cis | -144.9 | 151 | -6.1 | -68.1 | -177.1 | 0 | 0 | 0 | 109 | ||||
| 1189 | T | 27.8 | Very low | 29.4 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -102.3 | 143.7 | 179.9 | 49 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1190 | V | 30.3 | Very low | 29.2 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | -144 | 112.1 | 160.6 | -177.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1191 | V | 29.6 | Very low | 29.1 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | 26.1 | 126.6 | 131.2 | -173.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1192 | N | 27.2 | Very low | 28.8 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | cis | 96.9 | 111.5 | 23.4 | -165.8 | 53.7 | 0 | 0 | 0 | 115.8 | ||||
| 1193 | S | 32.8 | Very low | 28.7 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -162 | 149.2 | 160.5 | 56.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1194 | N | 26 | Very low | 28.2 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -108.7 | 164.9 | -174.3 | -66.7 | -31.7 | 0 | 0 | 0 | 112.3 | ||||
| 1195 | N | 30.8 | Very low | 28.2 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | -166.7 | 163.7 | 122.4 | -100.8 | -20.7 | 0 | 0 | 0 | 113.9 | |||||
| 1196 | N | 27.2 | Very low | 28.2 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | trans | -76.2 | 175.5 | -175.9 | -55.9 | -37.5 | 0 | 0 | 0 | 111.5 | ||||
| 1197 | T | 30.8 | Very low | 28.2 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | cis | -150.7 | 158.7 | 29.4 | 48.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1198 | N | 26.6 | Very low | 28.2 | Very low | 153 Ų | 153 | 145.4 Ų | 145.4 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 13.4 | 126.9 | 150.2 | -53.8 | -5.4 | 0 | 0 | 0 | 119.8 | ||||
| 1199 | D | 31.4 | Very low | 28.1 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | -160.6 | 178.5 | 97.9 | -139.7 | -31.3 | 0 | 0 | 0 | 112.9 | |||||
| 1200 | K | 26 | Very low | 28.2 | Very low | 186 Ų | 186 | 140.5 Ų | 140.5 | 81% | 0.809 | 78% | 0.778 | S | S | * | * | trans | -88.7 | 162.4 | -164.3 | -62.9 | 168.4 | -176.5 | 169.1 | 0 | 115.4 | ||||
| 1201 | S | 24 | Very low | 28.2 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | 97.4 | 119.6 | 152.7 | 81.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1202 | Q | 26.1 | Very low | 28.2 | Very low | 177 Ų | 177 | 141.3 Ų | 141.3 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | 45.7 | 139.6 | 139.3 | -51.7 | -171.7 | 1.7 | 0 | 0 | 124.7 | ||||
| 1203 | T | 25.9 | Very low | 28.4 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | 95.5 | 135 | 148.4 | 78 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1204 | S | 25.5 | Very low | 28.3 | Very low | 95 Ų | 95 | 142.5 Ų | 142.5 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | trans | 79 | 120.3 | 142.6 | 78.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1205 | F | 27.6 | Very low | 28.6 | Very low | 223 Ų | 223 | 143.8 Ų | 143.8 | 98% | 0.978 | 76% | 0.762 | S | S | * | * | trans | -106 | 73.5 | 162 | -111 | -80.6 | 0 | 0 | 0 | 111.7 | ||||
| 1206 | S | 27.2 | Very low | 28.5 | Very low | 99 Ų | 99 | 145.6 Ų | 145.6 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | trans | -126.7 | 86.6 | 172.1 | 65.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 1207 | K | 29.2 | Very low | 28.7 | Very low | 206 Ų | 206 | 145.5 Ų | 145.5 | 90% | 0.896 | 76% | 0.756 | S | S | * | * | trans | -142.2 | 88.2 | 177.7 | -96.1 | 167.3 | -177.8 | 164.7 | 0 | 112.8 | ||||
| 1208 | L | 30.1 | Very low | 28.7 | Very low | 160 Ų | 160 | 148.8 Ų | 148.8 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -138.1 | 81.6 | 157.8 | -106.5 | 171.3 | 0 | 0 | 0 | 111 | ||
| 1209 | N | 28.8 | Very low | 28.9 | Very low | 150 Ų | 150 | 149.7 Ų | 149.7 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | trans | 47.7 | 75.7 | 158.2 | -65.5 | -10.7 | 0 | 0 | 0 | 119.4 | ||||
| 1210 | G | 28.7 | Very low | 28.8 | Very low | 46 Ų | 46 | 150.4 Ų | 150.4 | 47% | 0.474 | 76% | 0.761 | S | S | . | * | trans | -83.6 | -4.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1211 | N | 29.8 | Very low | 28.9 | Very low | 131 Ų | 131 | 151 Ų | 151 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -19.3 | -162.3 | -74.4 | 5.2 | 0 | 0 | 0 | 116 | ||
| 1212 | L | 30.3 | Very low | 29 | Very low | 145 Ų | 145 | 153.4 Ų | 153.4 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -4.9 | 179.8 | -143.5 | 74.1 | 0 | 0 | 0 | 114.4 | ||
| 1213 | I | 32.5 | Very low | 29 | Very low | 111 Ų | 111 | 150.7 Ų | 150.7 | 57% | 0.569 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | -31.7 | -179.3 | -66.1 | 174.9 | 0 | 0 | 0 | 111.4 | Q1215 R1216 L1217 | I1213-Q1215 VanDerWaalsContact C-N 3.25Å; I1213-Q1215 PolarHBondContact O-N 3.24Å; I1213-R1216 PolarHBondContact O-N 2.98Å; I1213-R1216 VanDerWaalsContact O-N 3.16Å; I1213-L1217 HydrophobicContact CG2-CD1 3.59Å; I1213-L1217 HydrophobicContact CG2-CG 4.16Å; I1213-L1217 PolarHBondContact O-N 3.48Å |
| 1214 | K | 29.5 | Very low | 29 | Very low | 167 Ų | 167 | 154.6 Ų | 154.6 | 73% | 0.726 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -25 | 176.1 | -79.3 | -175.6 | 173.8 | -179.2 | 0 | 114.4 | ||
| 1215 | Q | 33.5 | Very low | 29.1 | Very low | 162 Ų | 162 | 158.2 Ų | 158.2 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -24.4 | 174.4 | -78.4 | -179.6 | -27.9 | 0 | 0 | 113.8 | I1213 | I1213-Q1215 VanDerWaalsContact C-N 3.25Å; I1213-Q1215 PolarHBondContact O-N 3.24Å |
| 1216 | R | 28.2 | Very low | 29 | Very low | 196 Ų | 196 | 152.5 Ų | 152.5 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -2.2 | -177.5 | -81.2 | -170.8 | 170.2 | -174.3 | -1.7 | 115.4 | I1213 | I1213-R1216 PolarHBondContact O-N 2.98Å; I1213-R1216 VanDerWaalsContact O-N 3.16Å |
| 1217 | L | 30.9 | Very low | 29 | Very low | 142 Ų | 142 | 157.8 Ų | 157.8 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -106.7 | 14.8 | 174.9 | -66.9 | 177.1 | 0 | 0 | 0 | 114 | I1213 | I1213-L1217 HydrophobicContact CG2-CD1 3.59Å; I1213-L1217 HydrophobicContact CG2-CG 4.16Å; I1213-L1217 PolarHBondContact O-N 3.48Å |
| 1218 | K | 31 | Very low | 28.9 | Very low | 190 Ų | 190 | 154.7 Ų | 154.7 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -87.5 | 0.5 | 169.4 | -86.6 | -167 | 171.4 | -171 | 0 | 114 | ||
| 1219 | Q | 29.7 | Very low | 28.7 | Very low | 171 Ų | 171 | 155.6 Ų | 155.6 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -132.5 | 96 | -179.3 | -70 | 178 | -12.4 | 0 | 0 | 110.2 | ||
| 1220 | I | 30.3 | Very low | 28.6 | Very low | 170 Ų | 170 | 151.7 Ų | 151.7 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | trans | 175.7 | 114.4 | 151.6 | -91 | 149.6 | 0 | 0 | 0 | 105.7 | ||||
| 1221 | K | 27.2 | Very low | 28.5 | Very low | 197 Ų | 197 | 160 Ų | 160 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | trans | -95.1 | 147.1 | 166.7 | -69.2 | 179.9 | 176.4 | -179.7 | 0 | 108.2 | ||||
| 1222 | L | 27.1 | Very low | 28.2 | Very low | 163 Ų | 163 | 160.1 Ų | 160.1 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | 175.6 | 158.6 | 150.5 | -97.5 | 159.6 | 0 | 0 | 0 | 108.6 | ||||
| 1223 | P | 27.1 | Very low | 28.1 | Very low | 120 Ų | 120 | 162.1 Ų | 162.1 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | -105.4 | 179.9 | -97.5 | 38.8 | -36.3 | 0 | 0 | 0 | 115 | |||||
| 1224 | K | 24.7 | Very low | 27.7 | Very low | 202 Ų | 202 | 165.6 Ų | 165.6 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | trans | -103.4 | 151.1 | 168.7 | -65.9 | -178.9 | 177.1 | -178 | 0 | 110.4 | ||||
| 1225 | L | 26.9 | Very low | 27.4 | Very low | 172 Ų | 172 | 162.5 Ų | 162.5 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | trans | -131.8 | 150.2 | 148.3 | -82.7 | 169.6 | 0 | 0 | 0 | 109 | ||||
| 1226 | P | 26.5 | Very low | 26.9 | Very low | 103 Ų | 103 | 160 Ų | 160 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | trans | -120.5 | 163.2 | -168.7 | 41.5 | -30.2 | 0 | 0 | 0 | 114.9 | ||||
| 1227 | F | 26.5 | Very low | 26.6 | Very low | 210 Ų | 210 | 159.2 Ų | 159.2 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -151.8 | 142.9 | 148.7 | -90.8 | -67.2 | 0 | 0 | 0 | 111.4 | ||||
| 1228 | N | 27 | Very low | 26.3 | Very low | 141 Ų | 141 | 158.8 Ų | 158.8 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | 172.8 | 154.5 | -178.8 | -101.8 | -11.2 | 0 | 0 | 0 | 105.8 | ||||
| 1229 | F | 27.5 | Very low | 26.1 | Very low | 179 Ų | 179 | 157.3 Ų | 157.3 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | cis | -162.6 | 146.1 | 3.7 | -137.8 | -55.4 | 0 | 0 | 0 | 110.3 | ||||
| 1230 | G | 25.6 | Very low | 26 | Very low | 68 Ų | 68 | 154.3 Ų | 154.3 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | 79.8 | -179.4 | 145.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1231 | R | 26.7 | Very low | 25.8 | Very low | 219 Ų | 219 | 149.5 Ų | 149.5 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | cis | -173.3 | 155.8 | -29.2 | -136.6 | -173.9 | -173.1 | -177.3 | 1.2 | 109.5 | ||||
| 1232 | N | 24.5 | Very low | 25.9 | Very low | 134 Ų | 134 | 146.3 Ų | 146.3 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | trans | 72.2 | 121.6 | 163.9 | -50.8 | -13.4 | 0 | 0 | 0 | 118.7 | ||||
| 1233 | M | 27.2 | Very low | 25.8 | Very low | 187 Ų | 187 | 146 Ų | 146 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | -150.7 | -179.7 | 106.3 | -98 | -53.3 | 179.4 | 0 | 0 | 109.6 | |||||
| 1234 | K | 23.6 | Very low | 26.1 | Very low | 185 Ų | 185 | 145.3 Ų | 145.3 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -130.4 | 155.9 | -172.1 | -63.2 | 176.5 | 174 | -179.4 | 0 | 112.3 | ||||
| 1235 | S | 23.6 | Very low | 26.4 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | 64.1 | 157.9 | 143.5 | 55.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1236 | T | 22.4 | Very low | 26.5 | Very low | 110 Ų | 110 | 139 Ų | 139 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | cis | -165.4 | 141.3 | 2.9 | 1.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1237 | F | 23.7 | Very low | 26.5 | Very low | 179 Ų | 179 | 141.7 Ų | 141.7 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | 62.4 | 165.5 | 150.5 | -79 | -145.1 | 0 | 0 | 0 | 116 | ||||
| 1238 | E | 24.3 | Very low | 26.6 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 62% | 0.621 | 73% | 0.733 | S | S | * | * | cis | -156.8 | 160.3 | -2.6 | -130.3 | 171.4 | 162.5 | 0 | 0 | 111.3 | ||||
| 1239 | Q | 26.8 | Very low | 26.8 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | 43.7 | 154.5 | 144.9 | -75.5 | 174.4 | 56.1 | 0 | 0 | 122.3 | ||||
| 1240 | S | 26 | Very low | 26.9 | Very low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | cis | -172.7 | 154.1 | -3.9 | 45.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1241 | G | 27.9 | Very low | 27.1 | Very low | 69 Ų | 69 | 137.2 Ų | 137.2 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | trans | 81.5 | 157.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1242 | N | 27.6 | Very low | 27.2 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 70% | 0.695 | 72% | 0.719 | S | S | * | * | cis | -160 | 162.9 | -5.7 | -118.3 | 34.2 | 0 | 0 | 0 | 111.5 | ||||
| 1243 | E | 26.8 | Very low | 27.4 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 73% | 0.729 | 72% | 0.718 | S | S | * | * | trans | 40.9 | 134.8 | 161.9 | -74.9 | 101.9 | -146.9 | 0 | 0 | 122.2 | ||||
| 1244 | V | 31.9 | Very low | 27.4 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 65% | 0.648 | 71% | 0.71 | S | S | * | * | cis | 80.1 | 139.1 | 16.1 | -171.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1245 | P | 31.7 | Very low | 27.6 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | cis | -120.8 | -172.5 | 19.2 | 17.6 | 10.5 | 0 | 0 | 0 | 115.1 | ||||
| 1246 | E | 29 | Very low | 27.8 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 63% | 0.626 | 71% | 0.709 | S | S | * | * | cis | 73.9 | 141.8 | 34.2 | -41 | -177.5 | 117.5 | 0 | 0 | 116.2 | ||||
| 1247 | K | 26.8 | Very low | 28 | Very low | 158 Ų | 158 | 138.3 Ų | 138.3 | 69% | 0.687 | 72% | 0.718 | S | S | * | * | cis | -142.7 | 173.7 | 6.7 | -82.2 | 100 | -177.9 | 165 | 0 | 109.2 | ||||
| 1248 | V | 28.6 | Very low | 28.1 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 79% | 0.794 | 72% | 0.715 | S | S | * | * | cis | 95.5 | 114.1 | 10.2 | 179 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1249 | N | 29.9 | Very low | 28.2 | Very low | 134 Ų | 134 | 136.2 Ų | 136.2 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | 145.1 | 159.9 | 124.4 | -137.2 | 2.8 | 0 | 0 | 0 | 119.3 | |||||
| 1250 | N | 30.7 | Very low | 28.3 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 66% | 0.663 | 72% | 0.724 | S | S | * | * | trans | 75.5 | 157.5 | 149.6 | -72 | -17.1 | 0 | 0 | 0 | 122.2 | ||||
| 1251 | T | 29.2 | Very low | 28.4 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 71% | 0.712 | 73% | 0.73 | S | S | * | * | cis | -163.3 | 179.5 | -3.5 | 18 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1252 | K | 29.7 | Very low | 28.5 | Very low | 159 Ų | 159 | 139.1 Ų | 139.1 | 69% | 0.691 | 73% | 0.727 | S | S | * | * | trans | 94.2 | 154.3 | 155.9 | -62.5 | -177.6 | 165 | -84.9 | 0 | 118.9 | ||||
| 1253 | E | 27.7 | Very low | 28.7 | Very low | 149 Ų | 149 | 139.7 Ų | 139.7 | 70% | 0.696 | 73% | 0.729 | S | S | * | * | cis | -174.1 | 166.4 | -20.6 | -100.4 | 165.6 | 178.5 | 0 | 0 | 107.4 | ||||
| 1254 | V | 27.6 | Very low | 28.9 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | -140.7 | 156.8 | -65 | -164.1 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 1255 | R | 27.6 | Very low | 28.9 | Very low | 219 Ų | 219 | 137.6 Ų | 137.6 | 83% | 0.826 | 73% | 0.727 | S | S | * | * | trans | 163.7 | 120.4 | 134.4 | -90.1 | -162.7 | 171.3 | 106.4 | 2.7 | 116.8 | ||||
| 1256 | D | 27.2 | Very low | 28.8 | Very low | 125 Ų | 125 | 142 Ų | 142 | 67% | 0.668 | 73% | 0.729 | S | S | * | * | 64.3 | 128.9 | 124.4 | -48.6 | -21 | 0 | 0 | 0 | 125.6 | |||||
| 1257 | E | 26.9 | Very low | 28.7 | Very low | 183 Ų | 183 | 138.5 Ų | 138.5 | 86% | 0.855 | 73% | 0.729 | S | S | * | * | trans | 80.5 | 114.8 | 145.9 | -72.7 | -175.7 | -174.6 | 0 | 0 | 125 | ||||
| 1258 | S | 26 | Very low | 28.9 | Very low | 104 Ų | 104 | 141.4 Ų | 141.4 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | 105.2 | 108.5 | 134.3 | 76 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1259 | I | 26.6 | Very low | 29 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | trans | 57.1 | 91.8 | 136.7 | -47.6 | 168.2 | 0 | 0 | 0 | 118.9 | ||||
| 1260 | S | 28.2 | Very low | 28.9 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | 171.9 | 120.3 | 116 | 59.4 | 0 | 0 | 0 | 0 | 111.9 | T1262 | S1260-T1262 PolarHBondContact O-N 3.36Å; S1260-T1262 VanDerWaalsContact O-N 3.09Å | |||
| 1261 | E | 28.3 | Very low | 29 | Very low | 190 Ų | 190 | 140.6 Ų | 140.6 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | trans | -85 | 78.5 | -176.7 | -68.1 | -169.2 | 150.6 | 0 | 0 | 113.8 | ||||
| 1262 | T | 30.3 | Very low | 28.9 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 64% | 0.644 | 76% | 0.761 | S | S | * | * | trans | -95.3 | 99.7 | 154.8 | 49.1 | 0 | 0 | 0 | 0 | 109.7 | L641 S1260 D1264 | L641-T1262 HydrophobicContact CD2-CG2 4.48Å; S1260-T1262 PolarHBondContact O-N 3.36Å; S1260-T1262 VanDerWaalsContact O-N 3.09Å; T1262-D1264 PolarHBondContact O-N 3.08Å; T1262-D1264 VanDerWaalsContact O-N 3.08Å | ||
| 1263 | I | 32.7 | Very low | 28.7 | Very low | 141 Ų | 141 | 144.1 Ų | 144.1 | 72% | 0.723 | 76% | 0.764 | S | S | * | * | trans | -74.3 | 96.7 | -178.4 | -53.6 | 177.2 | 0 | 0 | 0 | 110.2 | C1265 | I1263-C1265 VanDerWaalsContact CG2-SG 3.58Å; I1263-C1265 PolarHBondContact O-N 3.4Å | ||
| 1264 | D | 29.5 | Very low | 28.6 | Very low | 105 Ų | 105 | 145.8 Ų | 145.8 | 56% | 0.561 | 77% | 0.769 | S | S | * | * | trans | -88.6 | 87 | 174.1 | -165.8 | 4.2 | 0 | 0 | 0 | 111.1 | T1262 R1266 | T1262-D1264 PolarHBondContact O-N 3.08Å; T1262-D1264 VanDerWaalsContact O-N 3.08Å; D1264-R1266 PolarHBondContact O-N 3.3Å; D1264-R1266 IonicContact OD1-CZ 2.73Å; D1264-R1266 VanDerWaalsContact OD1-CZ 3.29Å; D1264-R1266 IonicContact OD1-NE 2.95Å; D1264-R1266 PolarHBondContact OD1-NE 2.88Å; D1264-R1266 IonicContact OD1-NH2 3.29Å; D1264-R1266 PolarHBondContact OD1-NH2 3.28Å; D1264-R1266 IonicContact OD2-CZ 3.42Å; D1264-R1266 IonicContact OD2-NE 2.67Å; D1264-R1266 IonicContact OD2-NH2 3.45Å; D1264-R1266 PolarHBondContact OD2-NH2 3.24Å | ||
| 1265 | C | 33.7 | Very low | 28.5 | Very low | 115 Ų | 115 | 147.2 Ų | 147.2 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | trans | -71.7 | 65.6 | 176.7 | -67.5 | 0 | 0 | 0 | 0 | 113 | I1263 | I1263-C1265 VanDerWaalsContact CG2-SG 3.58Å; I1263-C1265 PolarHBondContact O-N 3.4Å | ||
| 1266 | R | 28.8 | Very low | 28.4 | Very low | 200 Ų | 200 | 146 Ų | 146 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -127.5 | 74 | 173.8 | -82 | -177.4 | -70.8 | 172.1 | -1 | 112.5 | D1264 | D1264-R1266 PolarHBondContact O-N 3.3Å; D1264-R1266 IonicContact OD1-CZ 2.73Å; D1264-R1266 VanDerWaalsContact OD1-CZ 3.29Å; D1264-R1266 IonicContact OD1-NE 2.95Å; D1264-R1266 PolarHBondContact OD1-NE 2.88Å; D1264-R1266 IonicContact OD1-NH2 3.29Å; D1264-R1266 PolarHBondContact OD1-NH2 3.28Å; D1264-R1266 IonicContact OD2-CZ 3.42Å; D1264-R1266 IonicContact OD2-NE 2.67Å; D1264-R1266 IonicContact OD2-NH2 3.45Å; D1264-R1266 PolarHBondContact OD2-NH2 3.24Å | ||
| 1267 | G | 27.5 | Very low | 28.5 | Very low | 61 Ų | 61 | 148.2 Ų | 148.2 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | trans | 170.9 | 72.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1268 | F | 30.7 | Very low | 28.4 | Very low | 219 Ų | 219 | 145.8 Ų | 145.8 | 96% | 0.961 | 77% | 0.771 | S | S | * | * | trans | -149 | 112.4 | 156 | -84.1 | -64.3 | 0 | 0 | 0 | 110.6 | ||||
| 1269 | C | 30.2 | Very low | 28.5 | Very low | 125 Ų | 125 | 149.7 Ų | 149.7 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | -119.7 | 112.8 | 176.3 | -81.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1270 | S | 28.1 | Very low | 28.5 | Very low | 118 Ų | 118 | 147.8 Ų | 147.8 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | 64.9 | 172.2 | 155.8 | -62.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 1271 | P | 33.3 | Very low | 28.4 | Very low | 129 Ų | 129 | 149.1 Ų | 149.1 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | cis | -109.4 | -149.6 | -6.8 | 40.1 | -28.3 | 0 | 0 | 0 | 113.3 | ||||
| 1272 | K | 26 | Very low | 28.4 | Very low | 176 Ų | 176 | 145.7 Ų | 145.7 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | trans | -122.4 | 171.3 | -159.7 | -59.4 | 172.1 | -176.4 | 166.6 | 0 | 113.4 | ||||
| 1273 | F | 25 | Very low | 28.2 | Very low | 172 Ų | 172 | 150.1 Ų | 150.1 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | 74.6 | 124.9 | 156 | -64.7 | -68.4 | 0 | 0 | 0 | 119.3 | ||||
| 1274 | K | 26.7 | Very low | 28 | Very low | 185 Ų | 185 | 149.5 Ų | 149.5 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | -149.3 | 161.7 | 109.4 | -108.5 | 165.8 | -174.6 | 174.7 | 0 | 110.8 | |||||
| 1275 | L | 25.7 | Very low | 27.9 | Very low | 153 Ų | 153 | 151.1 Ų | 151.1 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | trans | -80.9 | 159.9 | -172.6 | -92.6 | 65.3 | 0 | 0 | 0 | 112.5 | ||||
| 1276 | K | 24.4 | Very low | 27.7 | Very low | 195 Ų | 195 | 152 Ų | 152 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | trans | -69.5 | 136.3 | 157.8 | -64.2 | 176.9 | 177.2 | 179.7 | 0 | 109.3 | ||||
| 1277 | H | 29.5 | Very low | 27.8 | Very low | 171 Ų | 171 | 148.7 Ų | 148.7 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | -161.4 | 135.3 | 128.5 | -110.3 | -72.4 | 0 | 0 | 0 | 113.4 | |||||
| 1278 | N | 25.3 | Very low | 28.1 | Very low | 131 Ų | 131 | 150.9 Ų | 150.9 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | 20.2 | 110 | 155.2 | -64.8 | -12.1 | 0 | 0 | 0 | 122 | ||||
| 1279 | K | 27 | Very low | 28.3 | Very low | 187 Ų | 187 | 149.1 Ų | 149.1 | 81% | 0.813 | 74% | 0.739 | S | S | * | * | 72.5 | 141.7 | 115.3 | -81.6 | -164.1 | 172.9 | -165.5 | 0 | 122.5 | |||||
| 1280 | N | 26.6 | Very low | 28.5 | Very low | 125 Ų | 125 | 149.9 Ų | 149.9 | 67% | 0.668 | 73% | 0.73 | S | S | * | * | trans | 85.1 | 95.5 | 157.8 | -68.9 | 31.4 | 0 | 0 | 0 | 119.2 | ||||
| 1281 | D | 27.2 | Very low | 28.8 | Very low | 129 Ų | 129 | 150.7 Ų | 150.7 | 69% | 0.69 | 73% | 0.725 | S | S | * | * | 74.1 | 115.7 | 120 | -48.8 | -27.2 | 0 | 0 | 0 | 123.1 | |||||
| 1282 | T | 27.5 | Very low | 28.9 | Very low | 118 Ų | 118 | 152.2 Ų | 152.2 | 72% | 0.724 | 72% | 0.721 | S | S | * | * | trans | 84.8 | 107.9 | 137 | 47.7 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1283 | Y | 26.6 | Very low | 29.3 | Very low | 197 Ų | 197 | 150.1 Ų | 150.1 | 77% | 0.773 | 72% | 0.718 | S | S | * | * | trans | 76.6 | 123.8 | 132.8 | -76.3 | -59.5 | 0 | 0 | 0 | 124 | ||||
| 1284 | N | 27.8 | Very low | 29.8 | Very low | 128 Ų | 128 | 148.8 Ų | 148.8 | 68% | 0.684 | 72% | 0.719 | S | S | * | * | trans | 68.9 | 150.7 | 139.8 | -64.6 | -17.4 | 0 | 0 | 0 | 118.9 | ||||
| 1285 | K | 28.6 | Very low | 30.2 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 60% | 0.604 | 72% | 0.715 | S | S | * | * | cis | -173.7 | 151.2 | -16 | -117.5 | 168.8 | 144.3 | -111.8 | 0 | 107.7 | ||||
| 1286 | E | 28.8 | Very low | 30.4 | Very low | 133 Ų | 133 | 145.7 Ų | 145.7 | 62% | 0.621 | 71% | 0.712 | S | S | * | * | trans | 62.2 | 148.9 | 149.2 | -66 | 157.1 | 165 | 0 | 0 | 117.6 | ||||
| 1287 | D | 31.7 | Very low | 30.8 | Very low | 131 Ų | 131 | 142.6 Ų | 142.6 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | cis | -160.6 | 167.2 | -12.2 | -93.5 | -23.1 | 0 | 0 | 0 | 110.9 | ||||
| 1288 | D | 34.1 | Very low | 31 | Very low | 107 Ų | 107 | 141.5 Ų | 141.5 | 57% | 0.572 | 71% | 0.705 | S | S | * | * | trans | 61.7 | 120.4 | 148.1 | -77.1 | -27.9 | 0 | 0 | 0 | 126.3 | ||||
| 1289 | R | 34 | Very low | 31.3 | Very low | 183 Ų | 183 | 143 Ų | 143 | 69% | 0.691 | 71% | 0.713 | S | S | * | * | 62.1 | 157.1 | 122.8 | -65.4 | -174.1 | -99.5 | 158.4 | 4.4 | 122.1 | |||||
| 1290 | E | 34.2 | Very low | 31.4 | Very low | 140 Ų | 140 | 142.8 Ų | 142.8 | 65% | 0.654 | 72% | 0.715 | S | S | * | * | cis | -165.6 | 168.6 | -13.3 | -109.6 | 157.9 | -176.8 | 0 | 0 | 109.2 | ||||
| 1291 | D | 35.1 | Very low | 31.5 | Very low | 135 Ų | 135 | 144.2 Ų | 144.2 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | trans | 62.8 | 154.5 | 158.4 | -52 | -15.1 | 0 | 0 | 0 | 121 | ||||
| 1292 | E | 34.9 | Very low | 31.6 | Very low | 161 Ų | 161 | 145.3 Ų | 145.3 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | cis | -162.5 | 168.2 | -33.3 | -122.4 | 175.7 | 176.3 | 0 | 0 | 110.5 | ||||
| 1293 | D | 34.7 | Very low | 31.6 | Very low | 133 Ų | 133 | 148.3 Ų | 148.3 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | trans | 72.8 | 144.3 | 154.3 | -63.6 | -9.9 | 0 | 0 | 0 | 127.6 | ||||
| 1294 | D | 35.8 | Very low | 31.8 | Very low | 143 Ų | 143 | 148.3 Ų | 148.3 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | trans | 66.1 | 94.9 | 151.5 | -71 | 2.8 | 0 | 0 | 0 | 125.1 | ||||
| 1295 | D | 34 | Very low | 31.8 | Very low | 138 Ų | 138 | 147.4 Ų | 147.4 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | 17.7 | 132.8 | 124.9 | -60.2 | -11.8 | 0 | 0 | 0 | 121.4 | |||||
| 1296 | N | 31.3 | Very low | 31.8 | Very low | 135 Ų | 135 | 147.8 Ų | 147.8 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | 174 | 143.7 | 97.5 | -88.2 | -76.7 | 0 | 0 | 0 | 113.3 | |||||
| 1297 | D | 33 | Very low | 31.7 | Very low | 131 Ų | 131 | 146.1 Ų | 146.1 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | trans | 50.9 | 117.1 | 149.1 | -53.8 | -11.4 | 0 | 0 | 0 | 123.6 | ||||
| 1298 | D | 32.6 | Very low | 31.5 | Very low | 148 Ų | 148 | 145.9 Ų | 145.9 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | 46.3 | 129.5 | 125.7 | -55.1 | -10.9 | 0 | 0 | 0 | 120.6 | |||||
| 1299 | D | 31.3 | Very low | 31.1 | Very low | 162 Ų | 162 | 147 Ų | 147 | 87% | 0.866 | 75% | 0.752 | S | S | * | * | -161.9 | 164.1 | 66.4 | -126.3 | -29.9 | 0 | 0 | 0 | 113.8 | |||||
| 1300 | E | 30.1 | Very low | 30.8 | Very low | 183 Ų | 183 | 145.1 Ų | 145.1 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | trans | -77.6 | 140.3 | -176.2 | -59.6 | -178.2 | 114.4 | 0 | 0 | 115.5 | ||||
| 1301 | I | 28.7 | Very low | 30.3 | Very low | 155 Ų | 155 | 143.4 Ų | 143.4 | 80% | 0.795 | 76% | 0.759 | S | S | * | * | trans | -142.9 | 128 | 154.6 | -67.4 | -168.5 | 0 | 0 | 0 | 112.4 | ||||
| 1302 | D | 29.5 | Very low | 29.8 | Very low | 151 Ų | 151 | 143.6 Ų | 143.6 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | trans | 56.1 | 107.6 | 159.2 | -60 | -19.5 | 0 | 0 | 0 | 122.8 | ||||
| 1303 | E | 27.3 | Very low | 29.4 | Very low | 182 Ų | 182 | 139 Ų | 139 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 117.6 | 143.4 | -86.6 | -157.7 | 153 | 0 | 0 | 110.3 | ||
| 1304 | E | 30.6 | Very low | 28.9 | Very low | 196 Ų | 196 | 137.9 Ų | 137.9 | 92% | 0.916 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 134.1 | 163.4 | -80.3 | -158.1 | 128.7 | 0 | 0 | 111.6 | ||
| 1305 | T | 27.1 | Very low | 28.5 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 67% | 0.669 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 146.6 | 176.7 | 61.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1306 | D | 30 | Very low | 28.3 | Very low | 148 Ų | 148 | 132.8 Ų | 132.8 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | trans | -140.5 | 163.5 | 144.3 | -146.9 | -7.5 | 0 | 0 | 0 | 113.9 | ||||
| 1307 | N | 26.8 | Very low | 28.1 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 52% | 0.524 | 70% | 0.703 | S | S | . | * | trans | -124.1 | 145.4 | -177.6 | -60.8 | -85.2 | 0 | 0 | 0 | 110 | K1374 | N1307-K1374 PolarHBondContact OD1-NZ 2.99Š| ||
| 1308 | T | 27.3 | Very low | 27.8 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 77% | 0.767 | 70% | 0.696 | S | S | * | * | 179.3 | 136.6 | 120.6 | 27 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1309 | D | 26 | Very low | 27.5 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 70% | 0.695 | 70% | 0.695 | S | S | * | * | trans | 41.5 | 142 | 131.6 | -50 | -11.4 | 0 | 0 | 0 | 124.3 | ||||
| 1310 | N | 26 | Very low | 27.1 | Very low | 144 Ų | 144 | 129.4 Ų | 129.4 | 77% | 0.77 | 69% | 0.688 | S | S | * | * | trans | 109.8 | 111.6 | 142.6 | -61.1 | -60.9 | 0 | 0 | 0 | 120.8 | ||||
| 1311 | S | 24.7 | Very low | 26.8 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | trans | 89.6 | 117 | 130.4 | 67.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1312 | D | 25.1 | Very low | 26.7 | Very low | 140 Ų | 140 | 125.7 Ų | 125.7 | 75% | 0.749 | 68% | 0.675 | S | S | * | * | trans | 52 | 118.8 | 132.2 | -57.9 | -8.8 | 0 | 0 | 0 | 122.3 | ||||
| 1313 | C | 25.4 | Very low | 26.5 | Very low | 63 Ų | 63 | 123 Ų | 123 | 43% | 0.426 | 67% | 0.665 | S | S | . | * | 175.3 | 47.7 | 110.3 | -89 | 0 | 0 | 0 | 0 | 118 | |||||
| 1314 | I | 25.4 | Very low | 26.6 | Very low | 111 Ų | 111 | 121.3 Ų | 121.3 | 57% | 0.569 | 66% | 0.661 | S | S | * | * | trans | 33.4 | 99 | 157 | -46.8 | 175 | 0 | 0 | 0 | 117.3 | R777 L782 | R777-I1314 PolarHBondContact NE-O 2.77Å; R777-I1314 PolarHBondContact NH2-O 2.99Å; L782-I1314 HydrophobicContact CD1-CB 3.91Å; L782-I1314 VanDerWaalsContact CD1-O 3.3Å; L782-I1314 WeakPolarHBondContact CD1-O 3.47Å; L782-I1314 HydrophobicContact CD2-CB 3.91Å; L782-I1314 HydrophobicContact CD2-CD1 3.84Å; L782-I1314 HydrophobicContact CD2-CG1 3.95Å; L782-I1314 HydrophobicContact CG-CB 3.9Å; L782-I1314 HydrophobicContact CG-CD1 4.09Å; L782-I1314 HydrophobicContact CG-CG1 4.33Å | ||
| 1315 | E | 25.4 | Very low | 26.5 | Very low | 54 Ų | 54 | 117.4 Ų | 117.4 | 25% | 0.252 | 65% | 0.646 | S | S | . | * | trans | -134.9 | 89.4 | 151.8 | -95.8 | -155.9 | 143.7 | 0 | 0 | 113 | S662 F664 K768 R777 | S662-E1315 WeakPolarHBondContact CA-OE2 3.43Å; S662-E1315 WeakPolarHBondContact OG-CG 3.33Å; S662-E1315 PolarHBondContact OG-OE2 2.97Å; F664-E1315 WeakPolarHBondContact CZ-OE1 3.45Å; K768-E1315 WeakPolarHBondContact CE-OE1 3.39Å; K768-E1315 IonicContact NZ-OE1 3.59Å; K768-E1315 PolarHBondContact NZ-OE1 2.78Å; K768-E1315 IonicContact NZ-OE2 2.71Å; R777-E1315 IonicContact CZ-OE1 2.77Å; R777-E1315 VanDerWaalsContact NH1-CG 3.32Å; R777-E1315 IonicContact NH1-OE1 2.63Å; R777-E1315 PolarHBondContact NH1-OE1 3.1Å; R777-E1315 IonicContact NH2-OE1 3.58Å | ||
| 1316 | D | 30.8 | Very low | 26.5 | Very low | 119 Ų | 119 | 119.3 Ų | 119.3 | 64% | 0.636 | 65% | 0.653 | S | S | * | * | trans | -144 | 143.6 | 173.4 | -68.6 | -74.1 | 0 | 0 | 0 | 110.9 | T1318 | D1316-T1318 HydrophobicContact CB-CG2 3.74Å; D1316-T1318 VanDerWaalsContact CB-OG1 3.25Å; D1316-T1318 WeakPolarHBondContact CB-OG1 3.46Å; D1316-T1318 PolarHBondContact O-N 3.1Å; D1316-T1318 VanDerWaalsContact O-N 3.13Å | ||
| 1317 | E | 27.2 | Very low | 26.6 | Very low | 130 Ų | 130 | 117.3 Ų | 117.3 | 61% | 0.607 | 65% | 0.648 | S | S | * | * | trans | -77.7 | 67.3 | 145.9 | -64 | -162.9 | 146.5 | 0 | 0 | 107.4 | N585 D1319 | N585-E1317 PolarHBondContact ND2-OE2 3.26Å; E1317-D1319 PolarHBondContact O-N 2.88Å | ||
| 1318 | T | 27.4 | Very low | 26.7 | Very low | 90 Ų | 90 | 118.9 Ų | 118.9 | 55% | 0.552 | 66% | 0.663 | S | S | * | * | trans | -64.1 | 128.5 | -162 | -14.9 | 0 | 0 | 0 | 0 | 112 | D1316 I1320 | D1316-T1318 HydrophobicContact CB-CG2 3.74Å; D1316-T1318 VanDerWaalsContact CB-OG1 3.25Å; D1316-T1318 WeakPolarHBondContact CB-OG1 3.46Å; D1316-T1318 PolarHBondContact O-N 3.1Å; D1316-T1318 VanDerWaalsContact O-N 3.13Å; T1318-I1320 PolarHBondContact O-N 2.79Å; T1318-I1320 VanDerWaalsContact O-N 3.15Å | ||
| 1319 | D | 24.6 | Very low | 26.7 | Very low | 142 Ų | 142 | 117.9 Ų | 117.9 | 76% | 0.759 | 66% | 0.661 | S | S | * | * | trans | -59.2 | 115.5 | 161.8 | -69.8 | -66.4 | 0 | 0 | 0 | 108.9 | E1317 D1321 | E1317-D1319 PolarHBondContact O-N 2.88Å; D1319-D1321 VanDerWaalsContact C-N 3.29Å; D1319-D1321 PolarHBondContact O-N 3.39Å | ||
| 1320 | I | 24.8 | Very low | 26.7 | Very low | 143 Ų | 143 | 119.5 Ų | 119.5 | 73% | 0.733 | 67% | 0.665 | S | S | * | * | trans | -85 | 87.3 | 158.2 | -52 | 179.6 | 0 | 0 | 0 | 105.8 | T1318 L1322 | T1318-I1320 PolarHBondContact O-N 2.79Å; T1318-I1320 VanDerWaalsContact O-N 3.15Å; I1320-L1322 HydrophobicContact CG2-CD2 3.9Å; I1320-L1322 HydrophobicContact CG2-CG 3.93Å; I1320-L1322 PolarHBondContact O-N 3.06Å | ||
| 1321 | D | 23.6 | Very low | 26.7 | Very low | 124 Ų | 124 | 119.1 Ų | 119.1 | 66% | 0.663 | 66% | 0.663 | S | S | * | * | trans | -62.4 | 103.7 | 158.1 | -100.7 | -29.1 | 0 | 0 | 0 | 108 | D1319 T1323 | D1319-D1321 VanDerWaalsContact C-N 3.29Å; D1319-D1321 PolarHBondContact O-N 3.39Å; D1321-T1323 HydrophobicContact CB-CG2 4.07Å; D1321-T1323 PolarHBondContact O-N 3.39Å | ||
| 1322 | L | 26.4 | Very low | 26.8 | Very low | 137 Ų | 137 | 121.5 Ų | 121.5 | 72% | 0.717 | 67% | 0.667 | S | S | * | * | trans | -85.6 | 68 | 160.1 | -68.6 | 179.3 | 0 | 0 | 0 | 107.8 | I1320 D1324 | I1320-L1322 HydrophobicContact CG2-CD2 3.9Å; I1320-L1322 HydrophobicContact CG2-CG 3.93Å; I1320-L1322 PolarHBondContact O-N 3.06Å; L1322-D1324 PolarHBondContact O-N 2.73Å | ||
| 1323 | T | 23.9 | Very low | 26.9 | Very low | 95 Ų | 95 | 122.8 Ų | 122.8 | 58% | 0.583 | 67% | 0.669 | S | S | * | * | trans | -73.5 | 76.7 | 164.5 | 49.3 | 0 | 0 | 0 | 0 | 108.7 | D1321 D1325 | D1321-T1323 HydrophobicContact CB-CG2 4.07Å; D1321-T1323 PolarHBondContact O-N 3.39Å; T1323-D1325 VanDerWaalsContact C-N 3.29Å; T1323-D1325 PolarHBondContact O-N 3.08Å | ||
| 1324 | D | 29.8 | Very low | 26.8 | Very low | 145 Ų | 145 | 124.4 Ų | 124.4 | 78% | 0.775 | 68% | 0.681 | S | S | * | * | trans | -89.8 | 64.7 | 168.2 | -77.1 | -38.1 | 0 | 0 | 0 | 109.7 | L1322 | L1322-D1324 PolarHBondContact O-N 2.73Š| ||
| 1325 | D | 27.9 | Very low | 26.8 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 61% | 0.61 | 69% | 0.693 | S | S | * | * | trans | -81.8 | 148.9 | 154.8 | -52.4 | -60.2 | 0 | 0 | 0 | 107.1 | T1323 | T1323-D1325 VanDerWaalsContact C-N 3.29Å; T1323-D1325 PolarHBondContact O-N 3.08Å | ||
| 1326 | D | 28.6 | Very low | 26.8 | Very low | 150 Ų | 150 | 132.9 Ų | 132.9 | 80% | 0.802 | 72% | 0.72 | S | S | * | * | cis | -144.8 | 175.6 | 17.2 | -130.1 | -11.2 | 0 | 0 | 0 | 109.6 | ||||
| 1327 | P | 31.6 | Very low | 26.5 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | trans | -90.7 | 144.3 | -158.3 | 34.3 | -38.4 | 0 | 0 | 0 | 117 | ||||
| 1328 | P | 29.5 | Very low | 26.4 | Very low | 131 Ų | 131 | 139 Ų | 139 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | trans | -89.9 | 126 | 152.9 | -1.1 | 20.7 | 0 | 0 | 0 | 110.5 | ||||
| 1329 | S | 25.7 | Very low | 26.4 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | -94.6 | 175.2 | 178.6 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1330 | E | 27.1 | Very low | 26.4 | Very low | 165 Ų | 165 | 139 Ų | 139 | 77% | 0.771 | 74% | 0.74 | S | S | * | * | trans | 80.6 | 120.8 | 164.3 | -49.4 | -148.6 | 138.4 | 0 | 0 | 119.4 | ||||
| 1331 | D | 25.9 | Very low | 26.5 | Very low | 135 Ų | 135 | 140 Ų | 140 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | trans | -44.9 | 136.7 | 166.8 | -58.8 | -90 | 0 | 0 | 0 | 114.1 | ||||
| 1332 | N | 26.9 | Very low | 26.4 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | -157.6 | 167.8 | 125.6 | -115.6 | -66.6 | 0 | 0 | 0 | 115.9 | |||||
| 1333 | Q | 26.1 | Very low | 26.3 | Very low | 167 Ų | 167 | 143 Ų | 143 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | trans | -84 | 141 | -155.7 | -56.4 | 171.4 | 0.4 | 0 | 0 | 115.7 | ||||
| 1334 | S | 24.9 | Very low | 26.3 | Very low | 97 Ų | 97 | 146.3 Ų | 146.3 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | trans | 80.3 | 162.1 | 143.4 | 84.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1335 | K | 24.8 | Very low | 26 | Very low | 191 Ų | 191 | 143.6 Ų | 143.6 | 83% | 0.83 | 74% | 0.74 | S | S | * | * | trans | 77.5 | 79.2 | 163.4 | -63.2 | 166.1 | -171.1 | 167.4 | 0 | 119.1 | ||||
| 1336 | N | 25.2 | Very low | 25.8 | Very low | 152 Ų | 152 | 145.4 Ų | 145.4 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | 34.3 | 128.3 | 118.4 | -99 | -40.2 | 0 | 0 | 0 | 120.8 | |||||
| 1337 | R | 24.2 | Very low | 25.7 | Very low | 210 Ų | 210 | 147.7 Ų | 147.7 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | trans | 68.3 | 110.2 | 147.8 | -70.7 | 177.2 | 144 | 161.5 | -3.6 | 119.3 | ||||
| 1338 | I | 25.3 | Very low | 25.7 | Very low | 167 Ų | 167 | 147.2 Ų | 147.2 | 86% | 0.856 | 74% | 0.743 | S | S | * | * | -115.4 | 123.8 | 120.6 | -64.9 | -178.7 | 0 | 0 | 0 | 108.5 | |||||
| 1339 | S | 27.7 | Very low | 25.5 | Very low | 86 Ų | 86 | 151 Ų | 151 | 60% | 0.601 | 74% | 0.74 | S | S | * | * | trans | -138.2 | 122.9 | 172.1 | 59 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1340 | M | 25.2 | Very low | 25.4 | Very low | 147 Ų | 147 | 155.1 Ų | 155.1 | 72% | 0.724 | 75% | 0.745 | S | S | * | * | trans | -136.3 | 138.9 | 174.9 | -63.9 | -156.2 | -49.1 | 0 | 0 | 109.9 | ||||
| 1341 | F | 26 | Very low | 25.4 | Very low | 164 Ų | 164 | 150.1 Ų | 150.1 | 72% | 0.719 | 74% | 0.738 | S | S | * | * | cis | -150.3 | 148.1 | 3.7 | -120.5 | -45.8 | 0 | 0 | 0 | 111.7 | ||||
| 1342 | Y | 22.8 | Very low | 25.3 | Very low | 184 Ų | 184 | 155.8 Ų | 155.8 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 142.3 | 116 | 150.1 | -90.9 | -76.7 | 0 | 0 | 0 | 108.7 | ||
| 1343 | Q | 23.1 | Very low | 25.2 | Very low | 140 Ų | 140 | 153.1 Ų | 153.1 | 65% | 0.654 | 74% | 0.743 | S | S | * | * | cis | -160.4 | 172.6 | -12.7 | -150.9 | 173.3 | -19.1 | 0 | 0 | 108.9 | ||||
| 1344 | E | 23.9 | Very low | 25.1 | Very low | 164 Ų | 164 | 152 Ų | 152 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | trans | 71.1 | 142.4 | 169.8 | -58.8 | 174.1 | -164.5 | 0 | 0 | 117.4 | ||||
| 1345 | S | 23.9 | Very low | 25.1 | Very low | 89 Ų | 89 | 155 Ų | 155 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | cis | -159.1 | 161.4 | -26.9 | 72.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1346 | K | 24.5 | Very low | 25.2 | Very low | 152 Ų | 152 | 154.4 Ų | 154.4 | 66% | 0.661 | 74% | 0.743 | S | S | * | * | trans | 66.7 | 92.9 | 158.7 | -62.8 | 172.1 | -177.8 | 177.4 | 0 | 120.2 | ||||
| 1347 | F | 26.5 | Very low | 25.1 | Very low | 197 Ų | 197 | 153.5 Ų | 153.5 | 86% | 0.864 | 74% | 0.739 | S | S | * | * | 6.7 | 165.7 | 114 | -74.8 | -79.9 | 0 | 0 | 0 | 120.2 | |||||
| 1348 | P | 30.9 | Very low | 25.1 | Very low | 96 Ų | 96 | 148.9 Ų | 148.9 | 62% | 0.623 | 73% | 0.734 | S | S | * | * | cis | -147.4 | 154.6 | 22.3 | 29 | -3.9 | 0 | 0 | 0 | 121.3 | ||||
| 1349 | R | 24.4 | Very low | 25 | Very low | 210 Ų | 210 | 146.4 Ų | 146.4 | 79% | 0.792 | 72% | 0.722 | S | S | * | * | trans | 60.8 | 167.4 | 146.7 | -57.6 | 163.1 | -174.1 | 172.5 | -0.8 | 117.7 | ||||
| 1350 | F | 25.2 | Very low | 24.8 | Very low | 191 Ų | 191 | 147.8 Ų | 147.8 | 84% | 0.838 | 72% | 0.719 | S | S | * | * | cis | -124.5 | 166.8 | -11.3 | -77.3 | -95.8 | 0 | 0 | 0 | 107.8 | ||||
| 1351 | G | 25.6 | Very low | 24.7 | Very low | 60 Ų | 60 | 145.1 Ų | 145.1 | 62% | 0.619 | 72% | 0.715 | S | S | * | * | cis | 140.8 | 138.6 | -6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1352 | R | 24.6 | Very low | 24.8 | Very low | 253 Ų | 253 | 146.8 Ų | 146.8 | 96% | 0.955 | 72% | 0.722 | S | S | * | * | trans | 71.4 | 153.9 | 172.5 | -72 | -178.4 | 175.8 | 175.7 | -2.5 | 116.5 | ||||
| 1353 | S | 24.1 | Very low | 25 | Very low | 99 Ų | 99 | 143.4 Ų | 143.4 | 69% | 0.692 | 72% | 0.715 | S | S | * | * | cis | -171.1 | -174.9 | -17.1 | -176.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 1354 | I | 25.1 | Very low | 25 | Very low | 142 Ų | 142 | 145.3 Ų | 145.3 | 73% | 0.728 | 72% | 0.717 | S | S | * | * | trans | 89.8 | 96.1 | 158.1 | -47.6 | -177.4 | 0 | 0 | 0 | 117 | ||||
| 1355 | H | 23.8 | Very low | 25 | Very low | 160 Ų | 160 | 146.3 Ų | 146.3 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | trans | 9.3 | 136.6 | 130.2 | -63.3 | -108.4 | 0 | 0 | 0 | 118.7 | ||||
| 1356 | H | 27.1 | Very low | 25.1 | Very low | 179 Ų | 179 | 148.4 Ų | 148.4 | 83% | 0.829 | 72% | 0.718 | S | S | * | * | -156.9 | 168.7 | 87.7 | -115 | -88.9 | 0 | 0 | 0 | 113.5 | |||||
| 1357 | N | 23.4 | Very low | 25.2 | Very low | 134 Ų | 134 | 143.6 Ų | 143.6 | 72% | 0.717 | 70% | 0.699 | S | S | * | * | trans | -120.2 | 165.5 | -165.5 | -146.5 | 26.9 | 0 | 0 | 0 | 108.6 | ||||
| 1358 | V | 23.7 | Very low | 25 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 69% | 0.685 | 69% | 0.685 | S | S | * | * | trans | 70.1 | 145.2 | 153 | 165.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 1359 | N | 23.3 | Very low | 24.7 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 61% | 0.61 | 68% | 0.678 | S | S | * | * | cis | -153.7 | 168.2 | -17.5 | -114 | 21.5 | 0 | 0 | 0 | 110.9 | ||||
| 1360 | E | 23.6 | Very low | 24.7 | Very low | 115 Ų | 115 | 132 Ų | 132 | 54% | 0.537 | 67% | 0.67 | S | S | . | * | trans | 31.8 | 142.3 | 140.8 | -60.4 | 175 | 117.7 | 0 | 0 | 124 | S1407 | E1360-S1407 WeakPolarHBondContact OE1-CB 3.43Å; E1360-S1407 PolarHBondContact OE1-OG 3.04Å | ||
| 1361 | S | 24.3 | Very low | 24.8 | Very low | 92 Ų | 92 | 131.5 Ų | 131.5 | 64% | 0.643 | 67% | 0.67 | S | S | * | * | trans | 73.2 | 96.1 | 142.3 | 65.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1362 | F | 27.2 | Very low | 24.6 | Very low | 198 Ų | 198 | 134.9 Ų | 134.9 | 87% | 0.868 | 67% | 0.673 | S | S | * | * | trans | -140.3 | 89.4 | 144.9 | -125.2 | -94 | 0 | 0 | 0 | 107.5 | ||||
| 1363 | I | 27 | Very low | 24.7 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 58% | 0.579 | 67% | 0.667 | S | S | * | * | 90.3 | 100.5 | 74.9 | -71.9 | 166.2 | 0 | 0 | 0 | 112.8 | |||||
| 1364 | R | 23.6 | Very low | 24.7 | Very low | 180 Ų | 180 | 134.2 Ų | 134.2 | 68% | 0.679 | 67% | 0.665 | S | S | * | * | trans | 56.7 | 128.1 | 138.1 | -58.8 | -170.6 | 167.5 | -178.5 | -4.6 | 121.5 | L1403 | R1364-L1403 HydrophobicContact CB-CD1 3.85Å; R1364-L1403 HydrophobicContact CB-CD2 4.32Å; R1364-L1403 HydrophobicContact CG-CD1 3.64Å; R1364-L1403 HydrophobicContact CG-CD2 4.01Å; R1364-L1403 HydrophobicContact CG-CG 4.5Å | ||
| 1365 | K | 24.1 | Very low | 24.7 | Very low | 185 Ų | 185 | 132.9 Ų | 132.9 | 80% | 0.804 | 66% | 0.664 | S | S | * | * | trans | 81.2 | 125.6 | 176.4 | -51 | 177.5 | -178.1 | -177.6 | 0 | 114 | I1367 | K1365-I1367 VanDerWaalsContact CA-CD1 3.48Å; K1365-I1367 HydrophobicContact CB-CD1 4.07Å; K1365-I1367 HydrophobicContact CG-CD1 3.9Å | ||
| 1366 | Q | 25.2 | Very low | 24.8 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 62% | 0.621 | 67% | 0.665 | S | S | * | * | cis | -126.2 | 115.6 | 1.1 | -130.5 | 166 | -19.6 | 0 | 0 | 109.3 | L1401 | Q1366-L1401 HydrophobicContact CB-CD1 3.84Å; Q1366-L1401 HydrophobicContact CG-CB 4.1Å; Q1366-L1401 HydrophobicContact CG-CD1 3.72Å | ||
| 1367 | I | 25.8 | Very low | 25 | Very low | 51 Ų | 51 | 127.4 Ų | 127.4 | 26% | 0.262 | 66% | 0.661 | S | S | . | * | 86.8 | 132.8 | 63.8 | -63.3 | 179.8 | 0 | 0 | 0 | 102.6 | K1365 L1401 S1402 L1403 | K1365-I1367 VanDerWaalsContact CA-CD1 3.48Å; K1365-I1367 HydrophobicContact CB-CD1 4.07Å; K1365-I1367 HydrophobicContact CG-CD1 3.9Å; I1367-L1401 HydrophobicContact CB-CB 3.5Å; I1367-L1401 VanDerWaalsContact CG2-CA 3.46Å; I1367-L1401 HydrophobicContact CG2-CB 3.26Å; I1367-L1401 WeakPolarHBondContact CG2-O 3.31Å; I1367-L1401 VanDerWaalsContact O-CB 3.23Å; I1367-L1401 WeakPolarHBondContact O-CB 3.09Å; I1367-L1401 WeakPolarHBondContact O-CD1 3.33Å; I1367-L1401 WeakPolarHBondContact O-CD2 3.43Å; I1367-L1401 WeakPolarHBondContact O-CG 3.5Å; I1367-S1402 VanDerWaalsContact C-N 3.35Å; I1367-S1402 WeakPolarHBondContact CB-O 3.49Å; I1367-S1402 WeakPolarHBondContact CD1-O 3.45Å; I1367-S1402 WeakPolarHBondContact CG1-O 3.27Å; I1367-S1402 WeakPolarHBondContact CG2-O 3.07Å; I1367-L1403 HydrophobicContact CD1-CB 4.36Å; I1367-L1403 HydrophobicContact CD1-CD1 3.69Å; I1367-L1403 HydrophobicContact CD1-CD2 4.43Å; I1367-L1403 HydrophobicContact CD1-CG 3.52Å; I1367-L1403 HydrophobicContact CG1-CB 4.35Å; I1367-L1403 HydrophobicContact CG1-CD1 4.42Å; I1367-L1403 HydrophobicContact CG1-CD2 4.34Å; I1367-L1403 HydrophobicContact CG1-CG 3.69Å | |||
| 1368 | M | 24 | Very low | 25.1 | Very low | 116 Ų | 116 | 125.4 Ų | 125.4 | 57% | 0.571 | 66% | 0.663 | S | S | * | * | cis | -147.6 | -176.6 | 33.8 | -134.9 | 176.9 | -175 | 0 | 0 | 117.9 | L1401 S1402 | M1368-L1401 HydrophobicContact CB-CB 4.3Å; M1368-L1401 HydrophobicContact CB-CD2 3.96Å; M1368-L1401 VanDerWaalsContact CB-N 3.32Å; M1368-L1401 VanDerWaalsContact CG-CA 3.41Å; M1368-L1401 PolarHBondContact SD-N 3.43Å; M1368-S1402 WeakPolarHBondContact CA-OG 3.45Å | ||
| 1369 | A | 24 | Very low | 25.1 | Very low | 57 Ų | 57 | 124.5 Ų | 124.5 | 47% | 0.471 | 66% | 0.661 | S | S | . | * | 26.1 | 116.5 | 129 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 1370 | S | 24.3 | Very low | 25 | Very low | 88 Ų | 88 | 128 Ų | 128 | 62% | 0.615 | 67% | 0.674 | S | S | * | * | 83.1 | 107.8 | 50.7 | 80.4 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1371 | Q | 27.1 | Very low | 25.1 | Very low | 179 Ų | 179 | 126 Ų | 126 | 84% | 0.836 | 68% | 0.677 | S | S | * | * | 58.8 | 109.8 | 81.8 | -60.6 | 165.4 | -73 | 0 | 0 | 112.5 | |||||
| 1372 | L | 22.1 | Very low | 25 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 69% | 0.691 | 68% | 0.684 | S | S | * | * | trans | -179.5 | 178 | 138.6 | -97.7 | 160.5 | 0 | 0 | 0 | 108.9 | ||||
| 1373 | F | 26.1 | Very low | 24.9 | Very low | 188 Ų | 188 | 129.6 Ų | 129.6 | 83% | 0.825 | 68% | 0.679 | S | S | * | * | trans | 62.5 | 112.3 | -177.7 | -49.6 | -76.7 | 0 | 0 | 0 | 115.1 | ||||
| 1374 | K | 24.2 | Very low | 24.7 | Very low | 150 Ų | 150 | 132.2 Ų | 132.2 | 65% | 0.652 | 69% | 0.686 | S | S | * | * | cis | 62.5 | 148.1 | 7.8 | -84.6 | -174 | 175.4 | -179.7 | 0 | 116.9 | N1307 | N1307-K1374 PolarHBondContact OD1-NZ 2.99Š| ||
| 1375 | T | 25.4 | Very low | 24.7 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 70% | 0.699 | 70% | 0.695 | S | S | * | * | trans | 62.8 | 97.9 | 161.7 | 29.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1376 | S | 25.6 | Very low | 24.6 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 77% | 0.769 | 70% | 0.699 | S | S | * | * | trans | -43.3 | 158.5 | 140.2 | -169.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1377 | P | 31.7 | Very low | 24.5 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | cis | -153 | -154.9 | 43.8 | 45.6 | -23.1 | 0 | 0 | 0 | 117.9 | ||||
| 1378 | A | 24.9 | Very low | 24.4 | Very low | 92 Ų | 92 | 139.1 Ų | 139.1 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | trans | 73.4 | 161 | 163.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1379 | S | 23.4 | Very low | 24.5 | Very low | 94 Ų | 94 | 139.2 Ų | 139.2 | 66% | 0.657 | 74% | 0.743 | S | S | * | * | -165.8 | 137.8 | -53.7 | 45.8 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1380 | E | 22.5 | Very low | 24.6 | Very low | 189 Ų | 189 | 145 Ų | 145 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | trans | 56.1 | -167.7 | 157.6 | -71.2 | 165.1 | 131.5 | 0 | 0 | 116.6 | ||||
| 1381 | A | 24.3 | Very low | 24.9 | Very low | 72 Ų | 72 | 145.5 Ų | 145.5 | 60% | 0.595 | 76% | 0.762 | S | S | * | * | -148.6 | 164.8 | -78.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1382 | H | 23.7 | Very low | 24.8 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 79% | 0.787 | 76% | 0.756 | S | S | * | * | trans | 66.3 | 169.9 | 179.3 | -62.4 | -92 | 0 | 0 | 0 | 113.7 | ||||
| 1383 | Y | 23.4 | Very low | 24.9 | Very low | 196 Ų | 196 | 144 Ų | 144 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | cis | -131.5 | -167.4 | 18.4 | -121 | -83.2 | 0 | 0 | 0 | 115.8 | ||||
| 1384 | K | 22.7 | Very low | 24.8 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 73% | 0.726 | 75% | 0.749 | S | S | * | * | trans | -86.3 | 173.5 | -161.4 | -63.5 | 168.2 | -177.1 | 167.9 | 0 | 114.2 | Y1386 | K1384-Y1386 PolarHBondContact O-N 3.21Å; K1384-Y1386 VanDerWaalsContact O-N 3.16Å | ||
| 1385 | Q | 23.5 | Very low | 24.8 | Very low | 185 Ų | 185 | 141 Ų | 141 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -56 | 110.1 | 150.8 | -63.5 | 171.8 | -73.7 | 0 | 0 | 110.7 | ||
| 1386 | Y | 22.9 | Very low | 24.8 | Very low | 227 Ų | 227 | 144.3 Ų | 144.3 | 89% | 0.89 | 76% | 0.757 | S | S | * | * | trans | 173.5 | 143.1 | 134.3 | -107.2 | -79.7 | 0 | 0 | 0 | 108.9 | K1384 | K1384-Y1386 PolarHBondContact O-N 3.21Å; K1384-Y1386 VanDerWaalsContact O-N 3.16Å | ||
| 1387 | S | 22.5 | Very low | 24.7 | Very low | 100 Ų | 100 | 146.7 Ų | 146.7 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | 69.5 | 119.9 | -168.9 | -151.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1388 | Q | 24.7 | Very low | 24.8 | Very low | 183 Ų | 183 | 146.1 Ų | 146.1 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | 57.8 | 123.3 | 69.1 | -57.3 | 175.9 | 2.2 | 0 | 0 | 112.3 | |||||
| 1389 | S | 25.5 | Very low | 24.8 | Very low | 118 Ų | 118 | 147 Ų | 147 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | cis | -160.3 | 169.7 | 4.2 | 52 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1390 | E | 26.1 | Very low | 24.8 | Very low | 178 Ų | 178 | 147.7 Ų | 147.7 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | trans | -26.6 | 168.9 | 157.3 | -72.8 | -174.8 | 155.7 | 0 | 0 | 119.6 | ||||
| 1391 | P | 30.2 | Very low | 24.9 | Very low | 99 Ų | 99 | 141.7 Ų | 141.7 | 64% | 0.643 | 72% | 0.721 | S | S | * | * | cis | -143.6 | -148.2 | -30 | 40.1 | -19 | 0 | 0 | 0 | 112.8 | ||||
| 1392 | D | 26.6 | Very low | 24.9 | Very low | 135 Ų | 135 | 141.3 Ų | 141.3 | 72% | 0.722 | 71% | 0.714 | S | S | * | * | trans | 71.4 | 155.4 | 153.9 | -78.8 | 6 | 0 | 0 | 0 | 120.8 | ||||
| 1393 | L | 23.7 | Very low | 24.9 | Very low | 143 Ų | 143 | 137.3 Ų | 137.3 | 75% | 0.749 | 70% | 0.698 | S | S | * | * | cis | -157.1 | 161.8 | -37.2 | -157.2 | 67.6 | 0 | 0 | 0 | 110.7 | ||||
| 1394 | F | 22.6 | Very low | 25 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 63% | 0.627 | 69% | 0.685 | S | S | * | * | trans | -39.4 | 148.7 | 170.1 | -77 | -147 | 0 | 0 | 0 | 115.5 | Q970 | Q970-F1394 VanDerWaalsContact NE2-CE1 3.29Š| ||
| 1395 | N | 25.6 | Very low | 25.2 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | -174.4 | 138.7 | 120.3 | -101.5 | -62.5 | 0 | 0 | 0 | 117.2 | |||||
| 1396 | K | 25.7 | Very low | 25.3 | Very low | 184 Ų | 184 | 126.3 Ų | 126.3 | 80% | 0.8 | 69% | 0.685 | S | S | * | * | trans | 74.6 | 78.6 | 142.2 | -66.4 | 162.9 | -172.3 | 164.7 | 0 | 123.2 | ||||
| 1397 | I | 23.4 | Very low | 25.6 | Very low | 160 Ų | 160 | 118.7 Ų | 118.7 | 82% | 0.821 | 67% | 0.665 | S | S | * | * | trans | -61 | 161.6 | 135.9 | -67.1 | 166.7 | 0 | 0 | 0 | 110.4 | ||||
| 1398 | P | 33.9 | Very low | 25.9 | Very low | 102 Ų | 102 | 119.1 Ų | 119.1 | 66% | 0.662 | 67% | 0.668 | S | S | * | * | cis | -133.5 | -151.8 | -16.3 | 37 | -15.1 | 0 | 0 | 0 | 114.5 | ||||
| 1399 | T | 24.6 | Very low | 26.1 | Very low | 111 Ų | 111 | 114.9 Ų | 114.9 | 68% | 0.681 | 66% | 0.659 | S | S | * | * | trans | 80.2 | 156.3 | 150.6 | 29.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1400 | L | 23.2 | Very low | 26 | Very low | 108 Ų | 108 | 118 Ų | 118 | 57% | 0.565 | 66% | 0.658 | S | S | * | * | cis | -144.4 | 120.3 | 2.9 | -89.1 | 174.7 | 0 | 0 | 0 | 112.2 | ||||
| 1401 | L | 23.3 | Very low | 26.1 | Very low | 62 Ų | 62 | 115.4 Ų | 115.4 | 33% | 0.325 | 65% | 0.65 | S | S | . | * | 80.8 | 134.4 | 118.7 | -43.9 | -160.8 | 0 | 0 | 0 | 121.7 | Q1366 I1367 M1368 | Q1366-L1401 HydrophobicContact CB-CD1 3.84Å; Q1366-L1401 HydrophobicContact CG-CB 4.1Å; Q1366-L1401 HydrophobicContact CG-CD1 3.72Å; I1367-L1401 HydrophobicContact CB-CB 3.5Å; I1367-L1401 VanDerWaalsContact CG2-CA 3.46Å; I1367-L1401 HydrophobicContact CG2-CB 3.26Å; I1367-L1401 WeakPolarHBondContact CG2-O 3.31Å; I1367-L1401 VanDerWaalsContact O-CB 3.23Å; I1367-L1401 WeakPolarHBondContact O-CB 3.09Å; I1367-L1401 WeakPolarHBondContact O-CD1 3.33Å; I1367-L1401 WeakPolarHBondContact O-CD2 3.43Å; I1367-L1401 WeakPolarHBondContact O-CG 3.5Å; M1368-L1401 HydrophobicContact CB-CB 4.3Å; M1368-L1401 HydrophobicContact CB-CD2 3.96Å; M1368-L1401 VanDerWaalsContact CB-N 3.32Å; M1368-L1401 VanDerWaalsContact CG-CA 3.41Å; M1368-L1401 PolarHBondContact SD-N 3.43Å | |||
| 1402 | S | 24.4 | Very low | 25.9 | Very low | 64 Ų | 64 | 116.6 Ų | 116.6 | 45% | 0.448 | 65% | 0.651 | S | S | . | * | trans | -121.3 | -118.8 | -175.5 | 76.4 | 0 | 0 | 0 | 0 | 122.9 | I1367 M1368 | I1367-S1402 VanDerWaalsContact C-N 3.35Å; I1367-S1402 WeakPolarHBondContact CB-O 3.49Å; I1367-S1402 WeakPolarHBondContact CD1-O 3.45Å; I1367-S1402 WeakPolarHBondContact CG1-O 3.27Å; I1367-S1402 WeakPolarHBondContact CG2-O 3.07Å; M1368-S1402 WeakPolarHBondContact CA-OG 3.45Å | ||
| 1403 | L | 24.1 | Very low | 25.8 | Very low | 87 Ų | 87 | 116.7 Ų | 116.7 | 46% | 0.455 | 65% | 0.651 | S | S | . | * | trans | 179.7 | -171.2 | 163.6 | -118.1 | 174.2 | 0 | 0 | 0 | 119.2 | R1364 I1367 | R1364-L1403 HydrophobicContact CB-CD1 3.85Å; R1364-L1403 HydrophobicContact CB-CD2 4.32Å; R1364-L1403 HydrophobicContact CG-CD1 3.64Å; R1364-L1403 HydrophobicContact CG-CD2 4.01Å; R1364-L1403 HydrophobicContact CG-CG 4.5Å; I1367-L1403 HydrophobicContact CD1-CB 4.36Å; I1367-L1403 HydrophobicContact CD1-CD1 3.69Å; I1367-L1403 HydrophobicContact CD1-CD2 4.43Å; I1367-L1403 HydrophobicContact CD1-CG 3.52Å; I1367-L1403 HydrophobicContact CG1-CB 4.35Å; I1367-L1403 HydrophobicContact CG1-CD1 4.42Å; I1367-L1403 HydrophobicContact CG1-CD2 4.34Å; I1367-L1403 HydrophobicContact CG1-CG 3.69Å | ||
| 1404 | S | 25.1 | Very low | 25.9 | Very low | 69 Ų | 69 | 115.2 Ų | 115.2 | 48% | 0.483 | 65% | 0.652 | S | S | . | * | trans | -134.4 | 151.2 | -155.9 | 73.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1405 | S | 27.3 | Very low | 26.1 | Very low | 100 Ų | 100 | 111.8 Ų | 111.8 | 70% | 0.699 | 66% | 0.657 | S | S | * | * | trans | 57.8 | 130.3 | 135.4 | 67.9 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 1406 | T | 26.5 | Very low | 26.1 | Very low | 147 Ų | 147 | 112.8 Ų | 112.8 | 90% | 0.902 | 66% | 0.662 | S | S | * | * | trans | -161.1 | 179.9 | 133 | 17.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1407 | S | 28.9 | Very low | 26.2 | Very low | 68 Ų | 68 | 110.4 Ų | 110.4 | 48% | 0.476 | 65% | 0.654 | S | S | . | * | trans | -140.1 | -169.8 | -153 | 68.6 | 0 | 0 | 0 | 0 | 115.9 | E1360 | E1360-S1407 WeakPolarHBondContact OE1-CB 3.43Å; E1360-S1407 PolarHBondContact OE1-OG 3.04Å | ||
| 1408 | S | 28.4 | Very low | 26.2 | Very low | 109 Ų | 109 | 110.5 Ų | 110.5 | 76% | 0.762 | 65% | 0.649 | S | S | * | * | trans | 86.6 | 156.9 | 160.4 | 82.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1409 | S | 28.1 | Very low | 25.9 | Very low | 94 Ų | 94 | 113 Ų | 113 | 66% | 0.657 | 65% | 0.651 | S | S | * | * | cis | -171.8 | 156.5 | -37.8 | 61.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1410 | F | 25.2 | Very low | 26 | Very low | 182 Ų | 182 | 114.2 Ų | 114.2 | 80% | 0.798 | 65% | 0.649 | S | S | * | * | trans | 70.3 | 127.3 | 152.8 | -77.6 | -66.3 | 0 | 0 | 0 | 123.9 | ||||
| 1411 | N | 27.1 | Very low | 26.1 | Very low | 125 Ų | 125 | 115.7 Ų | 115.7 | 67% | 0.668 | 65% | 0.653 | S | S | * | * | trans | 66.1 | 159.3 | 140.3 | -78.9 | 24.1 | 0 | 0 | 0 | 120.9 | ||||
| 1412 | D | 26.4 | Very low | 26.2 | Very low | 124 Ų | 124 | 120 Ų | 120 | 66% | 0.663 | 67% | 0.672 | S | S | * | * | cis | -152.8 | 175.6 | 9.1 | -133.4 | -34.3 | 0 | 0 | 0 | 116.1 | ||||
| 1413 | L | 25 | Very low | 26.3 | Very low | 137 Ų | 137 | 125.8 Ų | 125.8 | 72% | 0.717 | 69% | 0.692 | S | S | * | * | trans | 52.5 | 102.1 | 148.3 | -74 | 162.4 | 0 | 0 | 0 | 124.1 | ||||
| 1414 | S | 24.7 | Very low | 26.5 | Very low | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | 45 | 134.6 | 121 | 68.2 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 1415 | G | 26.7 | Very low | 26.4 | Very low | 71 Ų | 71 | 133.4 Ų | 133.4 | 73% | 0.732 | 73% | 0.726 | S | S | * | * | trans | 173.8 | 105.6 | 153 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1416 | N | 25.9 | Very low | 26.4 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | 16.4 | 147.1 | 133.5 | -67 | -4.9 | 0 | 0 | 0 | 120.4 | ||||
| 1417 | H | 27.1 | Very low | 26.3 | Very low | 134 Ų | 134 | 136 Ų | 136 | 62% | 0.62 | 73% | 0.731 | S | S | * | * | cis | -171.9 | 174.8 | 16.3 | -141.1 | -88.5 | 0 | 0 | 0 | 112 | ||||
| 1418 | F | 25 | Very low | 26.3 | Very low | 163 Ų | 163 | 141 Ų | 141 | 72% | 0.715 | 74% | 0.741 | S | S | * | * | trans | 64.4 | 122 | 168.1 | -65.8 | -72.2 | 0 | 0 | 0 | 117.6 | ||||
| 1419 | H | 27.4 | Very low | 26.2 | Very low | 154 Ų | 154 | 145.5 Ų | 145.5 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | 72.7 | 145.2 | 71 | -79.2 | -95 | 0 | 0 | 0 | 113 | |||||
| 1420 | Q | 26.3 | Very low | 26.4 | Very low | 137 Ų | 137 | 146 Ų | 146 | 64% | 0.64 | 75% | 0.748 | S | S | * | * | cis | -153.4 | 155.6 | 19.6 | -151.8 | 164.9 | -41 | 0 | 0 | 112.9 | ||||
| 1421 | E | 25.1 | Very low | 26.8 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 65% | 0.645 | 73% | 0.733 | S | S | * | * | trans | 47.1 | 158.7 | 150.4 | -90.6 | 130.9 | -128.4 | 0 | 0 | 123.1 | ||||
| 1422 | Q | 25.1 | Very low | 27.1 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | cis | -162.1 | 177.2 | -34.6 | -122.7 | -171.8 | 68.4 | 0 | 0 | 109.1 | ||||
| 1423 | Q | 26.7 | Very low | 27.5 | Very low | 185 Ų | 185 | 146.8 Ų | 146.8 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | trans | 67.8 | 143.4 | 174.8 | -41.4 | -172.7 | 15.9 | 0 | 0 | 114.9 | ||||
| 1424 | S | 28.4 | Very low | 28 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | cis | -133.7 | 154.1 | -11.4 | 65.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1425 | K | 23.1 | Very low | 28.5 | Very low | 205 Ų | 205 | 145.9 Ų | 145.9 | 89% | 0.891 | 72% | 0.72 | S | S | * | * | trans | -150.9 | 124.8 | 179.4 | -86.9 | -178.7 | 179.3 | 163 | 0 | 111.8 | ||||
| 1426 | T | 26.4 | Very low | 28.9 | Very low | 135 Ų | 135 | 151 Ų | 151 | 83% | 0.828 | 72% | 0.717 | S | S | * | * | trans | -151.2 | 163.4 | 168.3 | 0.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1427 | L | 26.1 | Very low | 29.5 | Very low | 167 Ų | 167 | 147.9 Ų | 147.9 | 87% | 0.874 | 70% | 0.697 | S | S | * | * | trans | 60.1 | 69.4 | 168.1 | -61.5 | 171.2 | 0 | 0 | 0 | 118.2 | ||||
| 1428 | Y | 27.6 | Very low | 29.9 | Very low | 172 Ų | 172 | 142.8 Ų | 142.8 | 68% | 0.675 | 68% | 0.677 | S | S | * | * | trans | -140.6 | 78 | 160.4 | -129.5 | -85.7 | 0 | 0 | 0 | 112.6 | R1431 | Y1428-R1431 PolarHBondContact OH-NH1 2.96Š| ||
| 1429 | K | 27.2 | Very low | 30.4 | Very low | 204 Ų | 204 | 142.8 Ų | 142.8 | 89% | 0.887 | 67% | 0.673 | S | S | * | * | trans | -161 | 62.7 | -177.8 | -121.2 | 166.1 | -168.8 | 168.3 | 0 | 116.6 | ||||
| 1430 | P | 32.4 | Very low | 30.7 | Very low | 105 Ų | 105 | 143.2 Ų | 143.2 | 68% | 0.682 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -121.8 | -31.4 | 136.5 | -5.2 | 25.3 | 0 | 0 | 0 | 114.9 | K1432 K1433 | P1430-K1432 PolarHBondContact O-N 3.04Å; P1430-K1432 VanDerWaalsContact O-N 3.08Å; P1430-K1433 WeakPolarHBondContact O-CB 3.33Å; P1430-K1433 PolarHBondContact O-N 3.11Å |
| 1431 | R | 33.7 | Very low | 31.2 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 48% | 0.483 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -48.6 | -43.4 | -161.9 | -83.9 | 178.6 | 157.5 | 154.4 | -4.4 | 116.6 | Y1428 K1433 L1434 M1435 | Y1428-R1431 PolarHBondContact OH-NH1 2.96Å; R1431-K1433 VanDerWaalsContact C-N 3.28Å; R1431-K1433 PolarHBondContact O-N 3.38Å; R1431-L1434 PolarHBondContact O-N 3.16Å; R1431-M1435 PolarHBondContact O-N 3.05Å |
| 1432 | K | 32.8 | Very low | 31.4 | Very low | 186 Ų | 186 | 134.8 Ų | 134.8 | 81% | 0.809 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.7 | -11.4 | -179.5 | -82.9 | -170.7 | 176.1 | -179.8 | 0 | 115.1 | P1430 | P1430-K1432 PolarHBondContact O-N 3.04Å; P1430-K1432 VanDerWaalsContact O-N 3.08Å |
| 1433 | K | 34.3 | Very low | 31.6 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 58% | 0.578 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -77.7 | -52.2 | 170.2 | -168.1 | -168.9 | 178.9 | -110 | 0 | 109.9 | P1430 R1431 M1435 R1436 E1437 | P1430-K1433 WeakPolarHBondContact O-CB 3.33Å; P1430-K1433 PolarHBondContact O-N 3.11Å; R1431-K1433 VanDerWaalsContact C-N 3.28Å; R1431-K1433 PolarHBondContact O-N 3.38Å; K1433-M1435 PolarHBondContact O-N 3.44Å; K1433-R1436 CarbonylContact O-C 3.56Å; K1433-R1436 PolarHBondContact O-N 2.89Å; K1433-R1436 VanDerWaalsContact O-N 3.11Å; K1433-E1437 WeakPolarHBondContact CE-OE1 3.26Å; K1433-E1437 VanDerWaalsContact CE-OE2 3.27Å; K1433-E1437 WeakPolarHBondContact CE-OE2 3.45Å; K1433-E1437 HydrophobicContact CG-CG 4.44Å; K1433-E1437 VanDerWaalsContact NZ-CD 3.31Å; K1433-E1437 IonicContact NZ-OE1 2.67Å; K1433-E1437 PolarHBondContact NZ-OE1 3.04Å; K1433-E1437 VanDerWaalsContact NZ-OE1 3.08Å; K1433-E1437 IonicContact NZ-OE2 3.2Å; K1433-E1437 PolarHBondContact NZ-OE2 2.94Å; K1433-E1437 PolarHBondContact O-N 3.07Å |
| 1434 | L | 36.2 | Very low | 31.8 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 55% | 0.55 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -57.3 | -52.6 | -177.7 | -164.6 | 72.6 | 0 | 0 | 0 | 111.7 | R1431 R1436 E1437 S1438 | R1431-L1434 PolarHBondContact O-N 3.16Å; L1434-R1436 VanDerWaalsContact C-N 3.28Å; L1434-R1436 PolarHBondContact O-N 3.38Å; L1434-E1437 CarbonylContact O-C 3.57Å; L1434-E1437 WeakPolarHBondContact O-CA 3.15Å; L1434-E1437 PolarHBondContact O-N 2.95Å; L1434-S1438 PolarHBondContact O-N 2.9Å; L1434-S1438 PolarHBondContact O-OG 3.21Å |
| 1435 | M | 35.6 | Very low | 32 | Very low | 124 Ų | 124 | 130 Ų | 130 | 61% | 0.611 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -53.2 | -42.8 | 175.6 | -89.3 | -178.6 | 162.4 | 0 | 0 | 113 | V787 R1431 K1433 E1437 Y1439 | V787-M1435 HydrophobicContact CG2-CE 4.27Å; R1431-M1435 PolarHBondContact O-N 3.05Å; K1433-M1435 PolarHBondContact O-N 3.44Å; M1435-E1437 VanDerWaalsContact C-N 3.34Å; M1435-Y1439 WeakPolarHBondContact O-CB 3.46Å; M1435-Y1439 PolarHBondContact O-N 3.11Å |
| 1436 | R | 35.2 | Very low | 32.3 | Very low | 179 Ų | 179 | 129.2 Ų | 129.2 | 68% | 0.675 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -71.7 | -27.1 | 177.4 | -86.3 | -177.2 | 164.1 | 179 | -4.3 | 113.2 | K1433 L1434 R1440 | K1433-R1436 CarbonylContact O-C 3.56Å; K1433-R1436 PolarHBondContact O-N 2.89Å; K1433-R1436 VanDerWaalsContact O-N 3.11Å; L1434-R1436 VanDerWaalsContact C-N 3.28Å; L1434-R1436 PolarHBondContact O-N 3.38Å; R1436-R1440 WeakPolarHBondContact O-CB 3.09Å; R1436-R1440 VanDerWaalsContact O-CD 3.26Å; R1436-R1440 WeakPolarHBondContact O-CD 3.42Å; R1436-R1440 WeakPolarHBondContact O-CG 3.19Å; R1436-R1440 PolarHBondContact O-N 2.93Å |
| 1437 | E | 36.9 | Very low | 32.2 | Very low | 86 Ų | 86 | 128.2 Ų | 128.2 | 40% | 0.402 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -80.5 | -37.8 | 176.4 | -72.9 | 177.8 | 161.3 | 0 | 0 | 111.1 | K1433 L1434 M1435 R1440 A1441 | K1433-E1437 WeakPolarHBondContact CE-OE1 3.26Å; K1433-E1437 VanDerWaalsContact CE-OE2 3.27Å; K1433-E1437 WeakPolarHBondContact CE-OE2 3.45Å; K1433-E1437 HydrophobicContact CG-CG 4.44Å; K1433-E1437 VanDerWaalsContact NZ-CD 3.31Å; K1433-E1437 IonicContact NZ-OE1 2.67Å; K1433-E1437 PolarHBondContact NZ-OE1 3.04Å; K1433-E1437 VanDerWaalsContact NZ-OE1 3.08Å; K1433-E1437 IonicContact NZ-OE2 3.2Å; K1433-E1437 PolarHBondContact NZ-OE2 2.94Å; K1433-E1437 PolarHBondContact O-N 3.07Å; L1434-E1437 CarbonylContact O-C 3.57Å; L1434-E1437 WeakPolarHBondContact O-CA 3.15Å; L1434-E1437 PolarHBondContact O-N 2.95Å; M1435-E1437 VanDerWaalsContact C-N 3.34Å; E1437-R1440 CarbonylContact O-C 3.6Å; E1437-R1440 PolarHBondContact O-N 2.81Å; E1437-A1441 WeakPolarHBondContact O-CB 3.34Å; E1437-A1441 PolarHBondContact O-N 2.79Å |
| 1438 | S | 35.6 | Very low | 32.2 | Very low | 28 Ų | 28 | 124.7 Ų | 124.7 | 20% | 0.196 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -60.9 | -49.5 | 168 | -53.7 | 0 | 0 | 0 | 0 | 112 | L1434 R1440 A1441 M1442 | L1434-S1438 PolarHBondContact O-N 2.9Å; L1434-S1438 PolarHBondContact O-OG 3.21Å; S1438-R1440 VanDerWaalsContact C-N 3.3Å; S1438-R1440 PolarHBondContact O-N 3.08Å; S1438-A1441 WeakPolarHBondContact O-CB 3.39Å; S1438-A1441 PolarHBondContact O-N 2.78Å; S1438-M1442 WeakPolarHBondContact O-CG 3.39Å; S1438-M1442 PolarHBondContact O-N 3.22Å |
| 1439 | Y | 36.3 | Very low | 32.1 | Very low | 162 Ų | 162 | 123.7 Ų | 123.7 | 64% | 0.635 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.1 | -34 | 178.3 | -144.6 | -86.3 | 0 | 0 | 0 | 112.1 | M1435 N1443 | M1435-Y1439 WeakPolarHBondContact O-CB 3.46Å; M1435-Y1439 PolarHBondContact O-N 3.11Å; Y1439-N1443 WeakPolarHBondContact O-CB 3.36Å; Y1439-N1443 PolarHBondContact O-N 3.2Å |
| 1440 | R | 34.4 | Very low | 32.1 | Very low | 164 Ų | 164 | 122 Ų | 122 | 62% | 0.619 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -72.2 | -29.9 | 171.1 | -78.8 | 169.8 | 171.4 | -179.1 | -5.7 | 113.1 | R1436 E1437 S1438 K1444 | R1436-R1440 WeakPolarHBondContact O-CB 3.09Å; R1436-R1440 VanDerWaalsContact O-CD 3.26Å; R1436-R1440 WeakPolarHBondContact O-CD 3.42Å; R1436-R1440 WeakPolarHBondContact O-CG 3.19Å; R1436-R1440 PolarHBondContact O-N 2.93Å; E1437-R1440 CarbonylContact O-C 3.6Å; E1437-R1440 PolarHBondContact O-N 2.81Å; S1438-R1440 VanDerWaalsContact C-N 3.3Å; S1438-R1440 PolarHBondContact O-N 3.08Å; R1440-K1444 WeakPolarHBondContact O-CB 3.35Å; R1440-K1444 VanDerWaalsContact O-CG 3.22Å; R1440-K1444 WeakPolarHBondContact O-CG 3.29Å; R1440-K1444 PolarHBondContact O-N 3.14Å |
| 1441 | A | 35.3 | Very low | 31.6 | Very low | 29 Ų | 29 | 124.3 Ų | 124.3 | 24% | 0.24 | 59% | 0.591 | C | S | . | * | H | α-helix | trans | -70.2 | -48.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y794 E1437 S1438 N1443 K1444 S1445 | Y794-A1441 HydrophobicContact CE2-CB 4.02Å; E1437-A1441 WeakPolarHBondContact O-CB 3.34Å; E1437-A1441 PolarHBondContact O-N 2.79Å; S1438-A1441 WeakPolarHBondContact O-CB 3.39Å; S1438-A1441 PolarHBondContact O-N 2.78Å; A1441-N1443 VanDerWaalsContact C-N 3.35Å; A1441-N1443 PolarHBondContact O-N 2.69Å; A1441-K1444 CarbonylContact O-C 3.54Å; A1441-K1444 PolarHBondContact O-N 2.85Å; A1441-K1444 VanDerWaalsContact O-N 3.1Å; A1441-S1445 PolarHBondContact O-N 2.83Å; A1441-S1445 PolarHBondContact O-OG 2.92Å; A1441-S1445 VanDerWaalsContact O-OG 3.1Å |
| 1442 | M | 31.1 | Very low | 31.1 | Very low | 68 Ų | 68 | 125.5 Ų | 125.5 | 34% | 0.335 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -54.1 | -48.6 | 173.3 | -67 | 169.9 | -173.9 | 0 | 0 | 111.8 | V790 S1438 K1444 S1445 K1446 | V790-M1442 HydrophobicContact CG1-CE 3.67Å; S1438-M1442 WeakPolarHBondContact O-CG 3.39Å; S1438-M1442 PolarHBondContact O-N 3.22Å; M1442-K1444 VanDerWaalsContact C-N 3.33Å; M1442-K1444 PolarHBondContact O-N 2.91Å; M1442-S1445 PolarHBondContact O-N 3.49Å; M1442-S1445 PolarHBondContact O-OG 2.97Å; M1442-K1446 PolarHBondContact O-N 3Å |
| 1443 | N | 28.8 | Very low | 30.7 | Very low | 82 Ų | 82 | 127 Ų | 127 | 44% | 0.439 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -72.6 | -23.4 | 179.6 | -70.8 | 4.8 | 0 | 0 | 0 | 113.3 | Y1439 A1441 I1447 | Y1439-N1443 WeakPolarHBondContact O-CB 3.36Å; Y1439-N1443 PolarHBondContact O-N 3.2Å; A1441-N1443 VanDerWaalsContact C-N 3.35Å; A1441-N1443 PolarHBondContact O-N 2.69Å; N1443-I1447 WeakPolarHBondContact O-CB 3.39Å; N1443-I1447 PolarHBondContact O-N 2.79Å |
| 1444 | K | 30.3 | Very low | 30.3 | Very low | 176 Ų | 176 | 128.8 Ų | 128.8 | 77% | 0.765 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -83 | -17.1 | 171.2 | -81 | -177.3 | 169.3 | -166.9 | 0 | 114.4 | R1440 A1441 M1442 | R1440-K1444 WeakPolarHBondContact O-CB 3.35Å; R1440-K1444 VanDerWaalsContact O-CG 3.22Å; R1440-K1444 WeakPolarHBondContact O-CG 3.29Å; R1440-K1444 PolarHBondContact O-N 3.14Å; A1441-K1444 CarbonylContact O-C 3.54Å; A1441-K1444 PolarHBondContact O-N 2.85Å; A1441-K1444 VanDerWaalsContact O-N 3.1Å; M1442-K1444 VanDerWaalsContact C-N 3.33Å; M1442-K1444 PolarHBondContact O-N 2.91Å |
| 1445 | S | 32.2 | Very low | 29.8 | Very low | 91 Ų | 91 | 128.6 Ų | 128.6 | 64% | 0.636 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -92.7 | -17.6 | 171.7 | 55.1 | 0 | 0 | 0 | 0 | 113.1 | A1441 M1442 | A1441-S1445 PolarHBondContact O-N 2.83Å; A1441-S1445 PolarHBondContact O-OG 2.92Å; A1441-S1445 VanDerWaalsContact O-OG 3.1Å; M1442-S1445 PolarHBondContact O-N 3.49Å; M1442-S1445 PolarHBondContact O-OG 2.97Å |
| 1446 | K | 30 | Very low | 29.2 | Very low | 189 Ų | 189 | 129.7 Ų | 129.7 | 82% | 0.822 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -98.5 | -15.6 | 173.9 | -92 | -171.7 | 170.8 | -174.8 | 0 | 115 | M1442 | M1442-K1446 PolarHBondContact O-N 3Å |
| 1447 | I | 24.5 | Very low | 28.7 | Very low | 115 Ų | 115 | 127 Ų | 127 | 59% | 0.59 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -138.7 | 146.8 | -175.6 | -50.2 | -180 | 0 | 0 | 0 | 110.3 | N1443 | N1443-I1447 WeakPolarHBondContact O-CB 3.39Å; N1443-I1447 PolarHBondContact O-N 2.79Å |
| 1448 | S | 26.4 | Very low | 28.1 | Very low | 92 Ų | 92 | 130.1 Ų | 130.1 | 64% | 0.643 | 64% | 0.642 | S | S | * | * | trans | 81.8 | 58.9 | 173.4 | -56.3 | 0 | 0 | 0 | 0 | 118.4 | E1450 | S1448-E1450 VanDerWaalsContact C-N 3.29Å; S1448-E1450 PolarHBondContact O-N 3.17Å | ||
| 1449 | L | 25.3 | Very low | 27.5 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 80% | 0.796 | 67% | 0.672 | S | S | * | * | trans | -80.3 | 82.3 | 139 | -96.7 | 166.2 | 0 | 0 | 0 | 108.1 | Y875 L1451 | Y875-L1449 WeakPolarHBondContact OH-CD1 3.3Å; L1449-L1451 PolarHBondContact O-N 3.09Å | ||
| 1450 | E | 26 | Very low | 27 | Very low | 168 Ų | 168 | 132.9 Ų | 132.9 | 79% | 0.785 | 67% | 0.673 | S | S | * | * | trans | -78.2 | 117.4 | -180 | -76.5 | -159.2 | 155.7 | 0 | 0 | 112.3 | S1448 | S1448-E1450 VanDerWaalsContact C-N 3.29Å; S1448-E1450 PolarHBondContact O-N 3.17Å | ||
| 1451 | L | 22.5 | Very low | 26.5 | Very low | 154 Ų | 154 | 132.6 Ų | 132.6 | 81% | 0.806 | 68% | 0.679 | S | S | * | * | trans | -57.9 | 157.9 | 159.9 | -75.3 | 155.8 | 0 | 0 | 0 | 111.1 | L1449 | L1449-L1451 PolarHBondContact O-N 3.09Š| ||
| 1452 | N | 24.4 | Very low | 26.1 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 81% | 0.813 | 69% | 0.692 | S | S | * | * | trans | 82.3 | 75.8 | 176 | -49.5 | -68 | 0 | 0 | 0 | 117.3 | ||||
| 1453 | R | 23.8 | Very low | 25.7 | Very low | 218 Ų | 218 | 137.3 Ų | 137.3 | 82% | 0.823 | 70% | 0.703 | S | S | * | * | trans | -150.4 | 117.6 | 141.8 | -114.1 | 165.7 | -150.4 | -144.3 | 2.6 | 115 | ||||
| 1454 | F | 26 | Very low | 25.5 | Very low | 170 Ų | 170 | 138 Ų | 138 | 75% | 0.746 | 71% | 0.714 | S | S | * | * | trans | 84.2 | 126.7 | 165.4 | -56.7 | -67.1 | 0 | 0 | 0 | 119.4 | ||||
| 1455 | P | 24.4 | Very low | 25.2 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 66% | 0.662 | 71% | 0.709 | S | S | * | * | trans | -103.9 | 171.6 | 175 | 41.6 | -35.5 | 0 | 0 | 0 | 113.2 | ||||
| 1456 | N | 24.3 | Very low | 24.8 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 78% | 0.781 | 71% | 0.711 | S | S | * | * | trans | 57.9 | 109.2 | 162.5 | -54.9 | -5.4 | 0 | 0 | 0 | 117.6 | ||||
| 1457 | L | 25.3 | Very low | 24.5 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 64% | 0.639 | 71% | 0.706 | S | S | * | * | -170.3 | 163 | 107.3 | -101.6 | 153.4 | 0 | 0 | 0 | 111.3 | R145 | R145-L1457 VanDerWaalsContact NH2-CD1 3.34Š| |||
| 1458 | E | 23 | Very low | 24.5 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 71% | 0.71 | 71% | 0.711 | S | S | * | * | trans | -92.9 | 172.3 | -174 | -68.1 | 146.5 | 124.6 | 0 | 0 | 111.8 | ||||
| 1459 | D | 24.4 | Very low | 24.4 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 83% | 0.829 | 72% | 0.724 | S | S | * | * | trans | 81.1 | 146.6 | 160.5 | -50.9 | -35.2 | 0 | 0 | 0 | 122.2 | ||||
| 1460 | S | 24.2 | Very low | 24.4 | Very low | 93 Ų | 93 | 134.6 Ų | 134.6 | 65% | 0.65 | 72% | 0.717 | S | S | * | * | trans | 67.5 | 104.7 | 165.2 | 59 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1461 | E | 24.9 | Very low | 24.4 | Very low | 159 Ų | 159 | 134 Ų | 134 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | 48.9 | 107.6 | 124.1 | -65.1 | 168.8 | -156.4 | 0 | 0 | 121.2 | P147 | P147-E1461 VanDerWaalsContact CG-O 3.3Å; P147-E1461 WeakPolarHBondContact CG-O 3.34Å | |||
| 1462 | S | 26 | Very low | 24.7 | Very low | 74 Ų | 74 | 130.9 Ų | 130.9 | 52% | 0.517 | 71% | 0.707 | S | S | . | * | 179.4 | 123.3 | 123.4 | 63.1 | 0 | 0 | 0 | 0 | 111.2 | P147 | P147-S1462 WeakPolarHBondContact CB-OG 3.44Š| |||
| 1463 | E | 23 | Very low | 24.8 | Very low | 122 Ų | 122 | 131.3 Ų | 131.3 | 57% | 0.57 | 70% | 0.704 | S | S | * | * | trans | -107.9 | -174.6 | -173.3 | -63.1 | 172.9 | 115.4 | 0 | 0 | 113.8 | L1660 | E1463-L1660 HydrophobicContact CB-CD1 4.23Š| ||
| 1464 | S | 24.3 | Very low | 25 | Very low | 96 Ų | 96 | 127 Ų | 127 | 67% | 0.671 | 70% | 0.701 | S | S | * | * | trans | 87.9 | 168.3 | 161.9 | 81.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 1465 | I | 24.5 | Very low | 25 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 66% | 0.656 | 70% | 0.702 | S | S | * | * | trans | 75.7 | 58.6 | -176 | -36.3 | 179.5 | 0 | 0 | 0 | 116.7 | ||||
| 1466 | I | 23 | Very low | 25.1 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 67% | 0.672 | 71% | 0.708 | S | S | * | * | trans | -142.2 | 62.6 | 147.8 | -44.4 | 179.2 | 0 | 0 | 0 | 111.7 | ||||
| 1467 | V | 23.6 | Very low | 25.3 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | trans | -147.1 | 94.4 | 158.7 | -175.6 | 0 | 0 | 0 | 0 | 109.2 | Y1561 | V1467-Y1561 PolarHBondContact O-OH 2.9Š| ||
| 1468 | A | 25.6 | Very low | 25.4 | Very low | 84 Ų | 84 | 132.7 Ų | 132.7 | 69% | 0.694 | 71% | 0.714 | S | S | * | * | trans | -170.9 | 81.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1469 | T | 25 | Very low | 25.8 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 91% | 0.908 | 72% | 0.718 | S | S | * | * | trans | 178.9 | 75 | 155.9 | 17.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1470 | M | 24 | Very low | 26.2 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 65% | 0.65 | 72% | 0.718 | S | S | * | * | trans | -152.9 | 100.4 | 160.1 | -108.9 | -170.2 | 175.3 | 0 | 0 | 111 | ||||
| 1471 | I | 25.5 | Very low | 26.4 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 81% | 0.805 | 73% | 0.726 | S | S | * | * | trans | -110 | 109.3 | 164.8 | -61 | 174.5 | 0 | 0 | 0 | 106.5 | ||||
| 1472 | P | 29.6 | Very low | 26.8 | Very low | 88 Ų | 88 | 137.8 Ų | 137.8 | 57% | 0.571 | 73% | 0.733 | S | S | * | * | trans | -68.4 | 138.4 | 167.5 | -15.7 | 31.1 | 0 | 0 | 0 | 110 | V1474 Y1558 | P1472-V1474 PolarHBondContact O-N 3.42Å; P1472-Y1558 WeakPolarHBondContact CD-OH 3.3Å | ||
| 1473 | Q | 26.6 | Very low | 27.2 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | -77.2 | 109.8 | 172.3 | -62.3 | 172 | -71.9 | 0 | 0 | 108.7 | ||||
| 1474 | V | 26.9 | Very low | 28 | Very low | 128 Ų | 128 | 142 Ų | 142 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 123.2 | 169 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | P1472 | P1472-V1474 PolarHBondContact O-N 3.42Š|
| 1475 | F | 26.9 | Very low | 29.3 | Very low | 174 Ų | 174 | 141.5 Ų | 141.5 | 76% | 0.763 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 133.2 | -178.5 | -89.4 | -110.3 | 0 | 0 | 0 | 111.5 | ||
| 1476 | I | 25.6 | Very low | 30.6 | Very low | 155 Ų | 155 | 139 Ų | 139 | 80% | 0.795 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 120 | 157.4 | -60 | 173.4 | 0 | 0 | 0 | 106.3 | E1478 | I1476-E1478 HydrophobicContact CG2-CG 4.36Š|
| 1477 | H | 30.1 | Very low | 32.1 | Very low | 159 Ų | 159 | 139.7 Ų | 139.7 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | trans | -125.1 | 103.9 | 171.4 | -138.8 | -55.4 | 0 | 0 | 0 | 109 | ||||
| 1478 | E | 27.1 | Very low | 33.7 | Very low | 171 Ų | 171 | 137.9 Ų | 137.9 | 80% | 0.799 | 72% | 0.717 | S | S | * | * | trans | -71.9 | 131.1 | 175.3 | -61.2 | -179.4 | 139.6 | 0 | 0 | 109.4 | I1476 | I1476-E1478 HydrophobicContact CG2-CG 4.36Š| ||
| 1479 | T | 31.6 | Very low | 35.1 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | trans | -143.1 | 126.8 | 166.2 | 42.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1480 | N | 32.7 | Very low | 36.6 | Very low | 154 Ų | 154 | 131.3 Ų | 131.3 | 82% | 0.824 | 67% | 0.667 | S | S | * | * | trans | -82.9 | 147.4 | -177 | -70.2 | -21.9 | 0 | 0 | 0 | 112.1 | ||||
| 1481 | E | 28.3 | Very low | 38 | Very low | 178 Ų | 178 | 125.3 Ų | 125.3 | 83% | 0.832 | 64% | 0.637 | S | S | * | * | trans | 42 | 87.4 | 149.6 | -61.4 | -174.6 | 164.3 | 0 | 0 | 118.6 | ||||
| 1482 | K | 33.5 | Very low | 39.3 | Very low | 206 Ų | 206 | 123.3 Ų | 123.3 | 90% | 0.896 | 63% | 0.625 | S | S | * | * | trans | -163.2 | 168.3 | 141.3 | -103.5 | 134.1 | -162.9 | 163.1 | 0 | 111.3 | I1484 | K1482-I1484 PolarHBondContact O-N 2.86Š| ||
| 1483 | Q | 34.1 | Very low | 40.5 | Very low | 191 Ų | 191 | 122.8 Ų | 122.8 | 89% | 0.893 | 62% | 0.615 | S | S | * | * | trans | -51.7 | 135.6 | -178.9 | -71.4 | 176.4 | -42.1 | 0 | 0 | 111.8 | N1485 | Q1483-N1485 PolarHBondContact O-N 3.16Š| ||
| 1484 | I | 40.1 | Very low | 41.7 | Very low | 93 Ų | 93 | 117.3 Ų | 117.3 | 48% | 0.477 | 59% | 0.59 | S | S | . | * | trans | -64 | 105.2 | -179.3 | -59.3 | 173.7 | 0 | 0 | 0 | 109.3 | K1482 L1486 I1489 F1500 | K1482-I1484 PolarHBondContact O-N 2.86Å; I1484-L1486 PolarHBondContact O-N 3.41Å; I1484-L1486 VanDerWaalsContact O-N 3.1Å; I1484-I1489 HydrophobicContact CG2-CD1 4.04Å; I1484-F1500 HydrophobicContact CD1-CD1 4.13Å; I1484-F1500 HydrophobicContact CD1-CE1 3.89Å; I1484-F1500 HydrophobicContact CG1-CE1 4.46Å | ||
| 1485 | N | 51.8 | Low | 42.7 | Very low | 85 Ų | 85 | 114.4 Ų | 114.4 | 46% | 0.455 | 57% | 0.57 | S | S | . | * | trans | -75.2 | 100.5 | 172.7 | -175.1 | -4.1 | 0 | 0 | 0 | 109.7 | Q1483 Q1487 S1488 | Q1483-N1485 PolarHBondContact O-N 3.16Å; N1485-Q1487 PolarHBondContact O-N 3.31Å; N1485-Q1487 WeakPolarHBondContact OD1-CB 3.27Å; N1485-Q1487 PolarHBondContact OD1-N 3.46Å; N1485-S1488 PolarHBondContact O-N 2.83Å; N1485-S1488 PolarHBondContact O-OG 3.44Å | ||
| 1486 | L | 50.2 | Low | 43.6 | Very low | 76 Ų | 76 | 112.2 Ų | 112.2 | 40% | 0.398 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.6 | -19.1 | 177.8 | -73.5 | 162.7 | 0 | 0 | 0 | 113.9 | I1484 I1489 I1536 | I1484-L1486 PolarHBondContact O-N 3.41Å; I1484-L1486 VanDerWaalsContact O-N 3.1Å; L1486-I1489 HydrophobicContact CD2-CD1 4.01Å; L1486-I1536 HydrophobicContact CD2-CD1 4.28Å; L1486-I1536 HydrophobicContact CD2-CG1 3.98Å |
| 1487 | Q | 56.4 | Low | 44.2 | Very low | 146 Ų | 146 | 107.4 Ų | 107.4 | 68% | 0.682 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -29.5 | 176.5 | -60 | -179.8 | -20.1 | 0 | 0 | 113 | N1485 R1539 | N1485-Q1487 PolarHBondContact O-N 3.31Å; N1485-Q1487 WeakPolarHBondContact OD1-CB 3.27Å; N1485-Q1487 PolarHBondContact OD1-N 3.46Å; Q1487-R1539 PolarHBondContact O-NH2 2.7Å |
| 1488 | S | 56.2 | Low | 44.4 | Very low | 81 Ų | 81 | 104.1 Ų | 104.1 | 57% | 0.566 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -88.8 | -3.1 | -176.8 | 59 | 0 | 0 | 0 | 0 | 114.6 | N1485 T1490 | N1485-S1488 PolarHBondContact O-N 2.83Å; N1485-S1488 PolarHBondContact O-OG 3.44Å; S1488-T1490 PolarHBondContact O-N 2.85Å |
| 1489 | I | 54.8 | Low | 44.7 | Very low | 32 Ų | 32 | 102.6 Ų | 102.6 | 16% | 0.164 | 52% | 0.524 | C | S | . | . | trans | -70.1 | 123.2 | 176.9 | -55.9 | -179.6 | 0 | 0 | 0 | 109.5 | I1484 L1486 Q1493 L1494 | I1484-I1489 HydrophobicContact CG2-CD1 4.04Å; L1486-I1489 HydrophobicContact CD2-CD1 4.01Å; I1489-Q1493 HydrophobicContact CG2-CB 4Å; I1489-L1494 HydrophobicContact CG2-CD1 3.95Å; I1489-L1494 HydrophobicContact CG2-CG 3.84Å | ||
| 1490 | T | 56.5 | Low | 44.8 | Very low | 63 Ų | 63 | 102.1 Ų | 102.1 | 39% | 0.387 | 51% | 0.511 | S | S | . | . | trans | -83.7 | 160.1 | 177.6 | 81.7 | 0 | 0 | 0 | 0 | 111.7 | S1488 E1492 Q1493 L1494 | S1488-T1490 PolarHBondContact O-N 2.85Å; T1490-E1492 PolarHBondContact O-N 3.35Å; T1490-E1492 PolarHBondContact OG1-N 3.28Å; T1490-Q1493 PolarHBondContact O-N 3.46Å; T1490-Q1493 VanDerWaalsContact O-N 3.1Å; T1490-Q1493 WeakPolarHBondContact OG1-CG 3.33Å; T1490-Q1493 PolarHBondContact OG1-N 2.83Å; T1490-L1494 PolarHBondContact O-N 2.94Å; T1490-L1494 VanDerWaalsContact O-N 3.11Å | ||
| 1491 | L | 54.4 | Low | 44.7 | Very low | 5 Ų | 5 | 105 Ų | 105 | 3% | 0.026 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -62.1 | -30.5 | 175.4 | -170.4 | 63.5 | 0 | 0 | 0 | 112 | L1494 L1495 L1540 L1543 Y1547 | L1491-L1494 PolarHBondContact O-N 3.45Å; L1491-L1495 HydrophobicContact CD1-CD1 4.27Å; L1491-L1495 HydrophobicContact CD1-CG 4.25Å; L1491-L1495 HydrophobicContact CD2-CD1 4.26Å; L1491-L1495 HydrophobicContact CG-CD1 3.81Å; L1491-L1495 HydrophobicContact CG-CG 4.2Å; L1491-L1495 WeakPolarHBondContact O-CB 3.25Å; L1491-L1495 VanDerWaalsContact O-CG 3.29Å; L1491-L1495 WeakPolarHBondContact O-CG 3.31Å; L1491-L1495 PolarHBondContact O-N 3.1Å; L1491-L1540 HydrophobicContact CD1-CD2 4.19Å; L1491-L1543 HydrophobicContact CB-CB 4.47Å; L1491-L1543 HydrophobicContact CB-CD1 4.29Å; L1491-L1543 HydrophobicContact CD1-CB 4.2Å; L1491-L1543 HydrophobicContact CD1-CD1 4.29Å; L1491-Y1547 HydrophobicContact CB-CE2 4.47Å; L1491-Y1547 HydrophobicContact CD2-CD1 4.01Å; L1491-Y1547 HydrophobicContact CD2-CD2 4.06Å; L1491-Y1547 HydrophobicContact CD2-CE1 3.86Å; L1491-Y1547 HydrophobicContact CD2-CE2 3.91Å; L1491-Y1547 HydrophobicContact CD2-CG 4.13Å |
| 1492 | E | 52.3 | Low | 44.7 | Very low | 116 Ų | 116 | 99.5 Ų | 99.5 | 54% | 0.542 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.9 | -37.4 | 174.1 | -64.7 | -173.4 | 147.3 | 0 | 0 | 112 | T1490 L1494 L1495 Y1496 | T1490-E1492 PolarHBondContact O-N 3.35Å; T1490-E1492 PolarHBondContact OG1-N 3.28Å; E1492-L1494 VanDerWaalsContact C-N 3.31Å; E1492-L1494 PolarHBondContact O-N 3.47Å; E1492-L1495 PolarHBondContact O-N 3.05Å; E1492-Y1496 HydrophobicContact CB-CD2 3.93Å; E1492-Y1496 HydrophobicContact CB-CE2 4.24Å; E1492-Y1496 HydrophobicContact CG-CD2 4.37Å; E1492-Y1496 HydrophobicContact CG-CE2 4.16Å; E1492-Y1496 WeakPolarHBondContact O-CB 3.46Å; E1492-Y1496 WeakPolarHBondContact O-CD2 3.4Å; E1492-Y1496 PolarHBondContact O-N 3.33Å |
| 1493 | Q | 54.2 | Low | 44.5 | Very low | 77 Ų | 77 | 95 Ų | 95 | 36% | 0.36 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.3 | -31.4 | 175.4 | -65 | 174.9 | -31.4 | 0 | 0 | 112.4 | I1489 T1490 I1498 | I1489-Q1493 HydrophobicContact CG2-CB 4Å; T1490-Q1493 PolarHBondContact O-N 3.46Å; T1490-Q1493 VanDerWaalsContact O-N 3.1Å; T1490-Q1493 WeakPolarHBondContact OG1-CG 3.33Å; T1490-Q1493 PolarHBondContact OG1-N 2.83Å; Q1493-I1498 HydrophobicContact CB-CD1 4.29Å; Q1493-I1498 HydrophobicContact CB-CG1 4.46Å; Q1493-I1498 HydrophobicContact CG-CD1 3.64Å; Q1493-I1498 HydrophobicContact CG-CG1 4.25Å |
| 1494 | L | 53.1 | Low | 44.2 | Very low | 45 Ų | 45 | 93.8 Ų | 93.8 | 24% | 0.236 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -76.4 | -34.1 | 173.3 | -88.9 | 156.3 | 0 | 0 | 0 | 113.6 | I1489 T1490 L1491 E1492 L1530 I1536 L1540 L1543 | I1489-L1494 HydrophobicContact CG2-CD1 3.95Å; I1489-L1494 HydrophobicContact CG2-CG 3.84Å; T1490-L1494 PolarHBondContact O-N 2.94Å; T1490-L1494 VanDerWaalsContact O-N 3.11Å; L1491-L1494 PolarHBondContact O-N 3.45Å; E1492-L1494 VanDerWaalsContact C-N 3.31Å; E1492-L1494 PolarHBondContact O-N 3.47Å; L1494-L1530 HydrophobicContact CD2-CD2 4.02Å; L1494-I1536 HydrophobicContact CD2-CG2 4.47Å; L1494-L1540 HydrophobicContact CD1-CD2 3.94Å; L1494-L1540 HydrophobicContact CD1-CG 4.35Å; L1494-L1540 HydrophobicContact CD2-CD2 4.41Å; L1494-L1543 HydrophobicContact CD1-CD1 3.96Å |
| 1495 | L | 46.5 | Very low | 43.7 | Very low | 67 Ų | 67 | 96.7 Ų | 96.7 | 35% | 0.351 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -90.5 | -31.3 | -177.3 | -70.3 | 177.1 | 0 | 0 | 0 | 114.2 | L1491 E1492 | L1491-L1495 HydrophobicContact CD1-CD1 4.27Å; L1491-L1495 HydrophobicContact CD1-CG 4.25Å; L1491-L1495 HydrophobicContact CD2-CD1 4.26Å; L1491-L1495 HydrophobicContact CG-CD1 3.81Å; L1491-L1495 HydrophobicContact CG-CG 4.2Å; L1491-L1495 WeakPolarHBondContact O-CB 3.25Å; L1491-L1495 VanDerWaalsContact O-CG 3.29Å; L1491-L1495 WeakPolarHBondContact O-CG 3.31Å; L1491-L1495 PolarHBondContact O-N 3.1Å; E1492-L1495 PolarHBondContact O-N 3.05Å |
| 1496 | Y | 46 | Very low | 42.6 | Very low | 127 Ų | 127 | 95.7 Ų | 95.7 | 50% | 0.498 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 3.5 | -177.4 | -60.7 | -65.6 | 0 | 0 | 0 | 114.2 | E1492 Y1558 | E1492-Y1496 HydrophobicContact CB-CD2 3.93Å; E1492-Y1496 HydrophobicContact CB-CE2 4.24Å; E1492-Y1496 HydrophobicContact CG-CD2 4.37Å; E1492-Y1496 HydrophobicContact CG-CE2 4.16Å; E1492-Y1496 WeakPolarHBondContact O-CB 3.46Å; E1492-Y1496 WeakPolarHBondContact O-CD2 3.4Å; E1492-Y1496 PolarHBondContact O-N 3.33Å; Y1496-Y1558 HydrophobicContact CE1-CD1 4.14Å |
| 1497 | G | 37.9 | Very low | 41.5 | Very low | 55 Ų | 55 | 99.4 Ų | 99.4 | 57% | 0.567 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 75.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | K1499 | G1497-K1499 PolarHBondContact O-N 3.23Š|
| 1498 | I | 34.1 | Very low | 40.3 | Very low | 90 Ų | 90 | 100.7 Ų | 100.7 | 46% | 0.462 | 56% | 0.556 | S | S | . | * | trans | -60.5 | 130.7 | 171.2 | -76.2 | -166.6 | 0 | 0 | 0 | 110.7 | Q1493 F1500 | Q1493-I1498 HydrophobicContact CB-CD1 4.29Å; Q1493-I1498 HydrophobicContact CB-CG1 4.46Å; Q1493-I1498 HydrophobicContact CG-CD1 3.64Å; Q1493-I1498 HydrophobicContact CG-CG1 4.25Å; I1498-F1500 WeakPolarHBondContact O-CD2 3.42Å; I1498-F1500 PolarHBondContact O-N 3.38Å | ||
| 1499 | K | 33.5 | Very low | 39 | Very low | 139 Ų | 139 | 102.9 Ų | 102.9 | 60% | 0.604 | 56% | 0.562 | S | S | * | * | trans | -63.7 | 101.8 | 169.1 | -70.1 | -168.2 | 173.8 | -150.4 | 0 | 110.8 | G1497 K1501 D1522 | G1497-K1499 PolarHBondContact O-N 3.23Å; K1499-K1501 PolarHBondContact O-N 3.45Å; K1499-K1501 VanDerWaalsContact O-N 3.07Å; K1499-D1522 WeakPolarHBondContact CD-OD1 3.48Å; K1499-D1522 VanDerWaalsContact CE-CG 3.43Å; K1499-D1522 WeakPolarHBondContact CE-OD1 3.37Å; K1499-D1522 WeakPolarHBondContact CE-OD2 3.39Å; K1499-D1522 IonicContact NZ-OD1 2.69Å; K1499-D1522 PolarHBondContact NZ-OD1 2.74Å; K1499-D1522 IonicContact NZ-OD2 3.93Å; K1499-D1522 PolarHBondContact NZ-OD2 3.05Å | ||
| 1500 | F | 34.4 | Very low | 37.7 | Very low | 119 Ų | 119 | 108.2 Ų | 108.2 | 52% | 0.522 | 59% | 0.591 | S | S | . | * | trans | -75.3 | 90.8 | 168.2 | -72.5 | -82.8 | 0 | 0 | 0 | 110.5 | I1484 I1498 G1502 I1525 | I1484-F1500 HydrophobicContact CD1-CD1 4.13Å; I1484-F1500 HydrophobicContact CD1-CE1 3.89Å; I1484-F1500 HydrophobicContact CG1-CE1 4.46Å; I1498-F1500 WeakPolarHBondContact O-CD2 3.42Å; I1498-F1500 PolarHBondContact O-N 3.38Å; F1500-G1502 PolarHBondContact O-N 2.95Å; F1500-I1525 HydrophobicContact CD2-CD1 4.46Å; F1500-I1525 HydrophobicContact CE2-CD1 4.3Å | ||
| 1501 | K | 29.9 | Very low | 36.4 | Very low | 214 Ų | 214 | 112.6 Ų | 112.6 | 93% | 0.93 | 61% | 0.611 | S | S | * | * | trans | -71 | 82.4 | 162.3 | -85.2 | -168.4 | 171.4 | -174.4 | 0 | 109.4 | K1499 | K1499-K1501 PolarHBondContact O-N 3.45Å; K1499-K1501 VanDerWaalsContact O-N 3.07Å | ||
| 1502 | G | 29.9 | Very low | 35.1 | Very low | 63 Ų | 63 | 122.9 Ų | 122.9 | 65% | 0.649 | 65% | 0.651 | S | S | * | * | trans | -112.5 | 107.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1500 | F1500-G1502 PolarHBondContact O-N 2.95Š| ||
| 1503 | S | 29 | Very low | 33.9 | Very low | 112 Ų | 112 | 124.4 Ų | 124.4 | 78% | 0.783 | 66% | 0.661 | S | S | * | * | trans | -74.5 | 139.4 | 161.6 | 38 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1504 | N | 26.7 | Very low | 32.6 | Very low | 165 Ų | 165 | 129.1 Ų | 129.1 | 88% | 0.882 | 68% | 0.683 | S | S | * | * | trans | 48.1 | 81.5 | 170.6 | -69.4 | -14.2 | 0 | 0 | 0 | 117.4 | ||||
| 1505 | I | 30.8 | Very low | 31.4 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 79% | 0.79 | 71% | 0.706 | S | S | * | * | trans | -117.2 | 105.1 | 149.6 | -59.7 | -179.9 | 0 | 0 | 0 | 108 | ||||
| 1506 | G | 27.5 | Very low | 30.4 | Very low | 64 Ų | 64 | 142.4 Ų | 142.4 | 66% | 0.66 | 73% | 0.734 | S | S | * | * | trans | -101.4 | 172.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1507 | N | 27.2 | Very low | 29.5 | Very low | 153 Ų | 153 | 143.4 Ų | 143.4 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | 61.5 | 64.4 | 169 | -66.1 | -7.7 | 0 | 0 | 0 | 117.8 | ||||
| 1508 | I | 30.8 | Very low | 29 | Very low | 173 Ų | 173 | 147.7 Ų | 147.7 | 89% | 0.887 | 76% | 0.758 | S | S | * | * | trans | -128.6 | 131 | 136.6 | -59 | -176.3 | 0 | 0 | 0 | 107.5 | ||||
| 1509 | N | 29.2 | Very low | 28.7 | Very low | 127 Ų | 127 | 150.2 Ų | 150.2 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | trans | -99.5 | 158.6 | -166.1 | -72.2 | -33.7 | 0 | 0 | 0 | 114 | ||||
| 1510 | N | 28.6 | Very low | 28.4 | Very low | 145 Ų | 145 | 153.2 Ų | 153.2 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | 64.7 | 97.6 | 156 | -58.1 | -15.7 | 0 | 0 | 0 | 118.3 | ||||
| 1511 | L | 28.1 | Very low | 28.3 | Very low | 155 Ų | 155 | 153.8 Ų | 153.8 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | -179.8 | 140.3 | 98.2 | -92.6 | 155.2 | 0 | 0 | 0 | 112.4 | |||||
| 1512 | Y | 28 | Very low | 28.3 | Very low | 221 Ų | 221 | 148.3 Ų | 148.3 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | 46.3 | 101.1 | 171.2 | -74.8 | -79.6 | 0 | 0 | 0 | 120.2 | ||||
| 1513 | I | 26.4 | Very low | 28.4 | Very low | 148 Ų | 148 | 154.6 Ų | 154.6 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | -92.7 | 146.3 | 161.8 | -63.8 | 155.2 | 0 | 0 | 0 | 108 | ||||
| 1514 | E | 28.1 | Very low | 28.7 | Very low | 175 Ų | 175 | 156.7 Ų | 156.7 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -156 | 101 | 132.7 | -118.4 | 161.2 | -146.2 | 0 | 0 | 115.4 | ||||
| 1515 | Q | 25.9 | Very low | 29.5 | Very low | 152 Ų | 152 | 153.3 Ų | 153.3 | 71% | 0.71 | 77% | 0.773 | S | S | * | * | trans | 46.3 | 99.2 | 138.9 | -56 | -179.1 | 36.3 | 0 | 0 | 119.8 | ||||
| 1516 | Y | 25.9 | Very low | 30 | Very low | 239 Ų | 239 | 150.1 Ų | 150.1 | 94% | 0.937 | 76% | 0.76 | S | S | * | * | -148.1 | 96.8 | 127.7 | -106.5 | -74.1 | 0 | 0 | 0 | 110.2 | |||||
| 1517 | N | 26.9 | Very low | 30.8 | Very low | 149 Ų | 149 | 148.2 Ų | 148.2 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | trans | -83.1 | 124.4 | 167.2 | -86.2 | -11.4 | 0 | 0 | 0 | 109.2 | ||||
| 1518 | N | 28 | Very low | 31.9 | Very low | 145 Ų | 145 | 146.4 Ų | 146.4 | 78% | 0.775 | 72% | 0.724 | S | S | * | * | 175.3 | 151.8 | 126.2 | -86.9 | -22.9 | 0 | 0 | 0 | 111.3 | |||||
| 1519 | N | 28.7 | Very low | 33 | Very low | 143 Ų | 143 | 143.9 Ų | 143.9 | 77% | 0.765 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 67.8 | 136.8 | 177.1 | -56.7 | -11.8 | 0 | 0 | 0 | 116.3 | N1521 | N1519-N1521 PolarHBondContact O-N 3.26Å; N1519-N1521 VanDerWaalsContact O-N 3.1Å; N1519-N1521 PolarHBondContact O-ND2 2.84Å |
| 1520 | E | 27.3 | Very low | 34.3 | Very low | 202 Ų | 202 | 139.5 Ų | 139.5 | 94% | 0.944 | 68% | 0.681 | S | S | * | * | trans | -60.7 | 105.8 | -174.1 | -57.1 | 175 | 133.8 | 0 | 0 | 111.9 | ||||
| 1521 | N | 30.7 | Very low | 35.5 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 70% | 0.701 | 66% | 0.661 | S | S | * | * | trans | -137.8 | 147.4 | 178.3 | -74.1 | -83.4 | 0 | 0 | 0 | 110.7 | N1519 Q1523 | N1519-N1521 PolarHBondContact O-N 3.26Å; N1519-N1521 VanDerWaalsContact O-N 3.1Å; N1519-N1521 PolarHBondContact O-ND2 2.84Å; N1521-Q1523 PolarHBondContact O-N 3.43Å | ||
| 1522 | D | 30.7 | Very low | 36.8 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 53% | 0.529 | 65% | 0.654 | S | S | . | * | trans | -68 | 129.7 | -170.9 | -60 | -76.4 | 0 | 0 | 0 | 112.9 | K1499 L1524 | K1499-D1522 WeakPolarHBondContact CD-OD1 3.48Å; K1499-D1522 VanDerWaalsContact CE-CG 3.43Å; K1499-D1522 WeakPolarHBondContact CE-OD1 3.37Å; K1499-D1522 WeakPolarHBondContact CE-OD2 3.39Å; K1499-D1522 IonicContact NZ-OD1 2.69Å; K1499-D1522 PolarHBondContact NZ-OD1 2.74Å; K1499-D1522 IonicContact NZ-OD2 3.93Å; K1499-D1522 PolarHBondContact NZ-OD2 3.05Å; D1522-L1524 PolarHBondContact O-N 3.13Å | ||
| 1523 | Q | 31.3 | Very low | 38.5 | Very low | 195 Ų | 195 | 125 Ų | 125 | 91% | 0.911 | 62% | 0.623 | S | S | * | * | trans | -77.8 | 113.2 | 176 | -67.5 | -177.1 | -9 | 0 | 0 | 111.1 | N1521 | N1521-Q1523 PolarHBondContact O-N 3.43Š| ||
| 1524 | L | 35.1 | Very low | 40.4 | Very low | 155 Ų | 155 | 123.3 Ų | 123.3 | 81% | 0.812 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 141.9 | 165.6 | -85.4 | 84.1 | 0 | 0 | 0 | 111.1 | D1522 | D1522-L1524 PolarHBondContact O-N 3.13Š|
| 1525 | I | 43.9 | Very low | 42.1 | Very low | 95 Ų | 95 | 122.2 Ų | 122.2 | 49% | 0.487 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -69.7 | 130.6 | 168.5 | -60.8 | 174.4 | 0 | 0 | 0 | 108.8 | F1500 Y1529 L1530 | F1500-I1525 HydrophobicContact CD2-CD1 4.46Å; F1500-I1525 HydrophobicContact CE2-CD1 4.3Å; I1525-Y1529 HydrophobicContact CG2-CD1 3.62Å; I1525-Y1529 HydrophobicContact CG2-CE1 4.47Å; I1525-Y1529 HydrophobicContact CG2-CG 4.25Å; I1525-L1530 HydrophobicContact CG2-CD2 4.13Å; I1525-L1530 HydrophobicContact CG2-CG 4.3Å |
| 1526 | T | 41.7 | Very low | 43.8 | Very low | 86 Ų | 86 | 115.8 Ų | 115.8 | 53% | 0.528 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -79.3 | 151 | -179.7 | 53.8 | 0 | 0 | 0 | 0 | 112.7 | D1528 Y1529 L1530 | T1526-D1528 VanDerWaalsContact C-N 3.29Å; T1526-D1528 PolarHBondContact O-N 2.86Å; T1526-Y1529 WeakPolarHBondContact O-CB 3.36Å; T1526-Y1529 PolarHBondContact O-N 3.17Å; T1526-Y1529 VanDerWaalsContact O-N 3.07Å; T1526-L1530 PolarHBondContact O-N 3.01Å |
| 1527 | F | 45.1 | Very low | 45.6 | Very low | 25 Ų | 25 | 107 Ų | 107 | 11% | 0.11 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -57.2 | -39.6 | 179.1 | -175.5 | -112.8 | 0 | 0 | 0 | 112.8 | Y1529 L1530 I1531 D1592 E1595 L1596 | F1527-Y1529 VanDerWaalsContact C-N 3.25Å; F1527-Y1529 PolarHBondContact O-N 3.15Å; F1527-L1530 WeakPolarHBondContact O-CB 3.34Å; F1527-L1530 PolarHBondContact O-N 3.47Å; F1527-I1531 HydrophobicContact CD1-CD1 4.12Å; F1527-I1531 HydrophobicContact CE1-CD1 3.49Å; F1527-I1531 VanDerWaalsContact CE1-CD1 3.49Å; F1527-I1531 HydrophobicContact CE2-CD1 4.09Å; F1527-I1531 HydrophobicContact CZ-CD1 3.48Å; F1527-I1531 VanDerWaalsContact CZ-CD1 3.48Å; F1527-I1531 HydrophobicContact CZ-CG1 4.47Å; F1527-I1531 PolarHBondContact O-N 2.98Å; F1527-I1531 VanDerWaalsContact O-N 3.17Å; F1527-D1592 WeakPolarHBondContact CB-OD2 3.49Å; F1527-D1592 HydrophobicContact CD2-CB 3.89Å; F1527-D1592 HydrophobicContact CE2-CB 4.12Å; F1527-D1592 WeakPolarHBondContact CE2-O 3.2Å; F1527-D1592 HydrophobicContact CG-CB 4.25Å; F1527-D1592 WeakPolarHBondContact CZ-O 3.45Å; F1527-E1595 HydrophobicContact CE1-CB 4.07Å; F1527-E1595 HydrophobicContact CZ-CB 3.74Å; F1527-L1596 HydrophobicContact CE2-CB 4.31Å; F1527-L1596 HydrophobicContact CE2-CD1 4.44Å |
| 1528 | D | 48.9 | Very low | 47.5 | Very low | 114 Ų | 114 | 104.1 Ų | 104.1 | 61% | 0.61 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.1 | -36.5 | 176 | -57.4 | -67.3 | 0 | 0 | 0 | 112.4 | T1526 I1531 T1532 | T1526-D1528 VanDerWaalsContact C-N 3.29Å; T1526-D1528 PolarHBondContact O-N 2.86Å; D1528-I1531 PolarHBondContact O-N 2.94Å; D1528-T1532 VanDerWaalsContact O-CB 3.31Å; D1528-T1532 WeakPolarHBondContact O-CB 3.29Å; D1528-T1532 VanDerWaalsContact O-CG2 3.29Å; D1528-T1532 WeakPolarHBondContact O-CG2 3.37Å; D1528-T1532 PolarHBondContact O-N 3.39Å; D1528-T1532 PolarHBondContact O-OG1 2.99Å |
| 1529 | Y | 55.5 | Low | 49.2 | Very low | 120 Ų | 120 | 100.3 Ų | 100.3 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.1 | -34.3 | 176.9 | -173.6 | -96.8 | 0 | 0 | 0 | 112.4 | I1525 T1526 F1527 N1533 I1536 | I1525-Y1529 HydrophobicContact CG2-CD1 3.62Å; I1525-Y1529 HydrophobicContact CG2-CE1 4.47Å; I1525-Y1529 HydrophobicContact CG2-CG 4.25Å; T1526-Y1529 WeakPolarHBondContact O-CB 3.36Å; T1526-Y1529 PolarHBondContact O-N 3.17Å; T1526-Y1529 VanDerWaalsContact O-N 3.07Å; F1527-Y1529 VanDerWaalsContact C-N 3.25Å; F1527-Y1529 PolarHBondContact O-N 3.15Å; Y1529-N1533 WeakPolarHBondContact O-CB 3.34Å; Y1529-N1533 PolarHBondContact O-N 3.29Å; Y1529-I1536 HydrophobicContact CD1-CD1 4.31Å; Y1529-I1536 HydrophobicContact CE1-CD1 3.84Å |
| 1530 | L | 54.7 | Low | 50.7 | Low | 36 Ų | 36 | 93.9 Ų | 93.9 | 19% | 0.188 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -70.2 | -32.2 | 177 | -62.4 | 175.9 | 0 | 0 | 0 | 112.7 | L1494 I1525 T1526 F1527 I1536 | L1494-L1530 HydrophobicContact CD2-CD2 4.02Å; I1525-L1530 HydrophobicContact CG2-CD2 4.13Å; I1525-L1530 HydrophobicContact CG2-CG 4.3Å; T1526-L1530 PolarHBondContact O-N 3.01Å; F1527-L1530 WeakPolarHBondContact O-CB 3.34Å; F1527-L1530 PolarHBondContact O-N 3.47Å; L1530-I1536 HydrophobicContact CD2-CG2 3.92Å |
| 1531 | I | 53.8 | Low | 52.5 | Low | 68 Ų | 68 | 87.2 Ų | 87.2 | 35% | 0.349 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -88.4 | -41.7 | 179.4 | -67.6 | -175.3 | 0 | 0 | 0 | 112.4 | F1527 D1528 N1533 | F1527-I1531 HydrophobicContact CD1-CD1 4.12Å; F1527-I1531 HydrophobicContact CE1-CD1 3.49Å; F1527-I1531 VanDerWaalsContact CE1-CD1 3.49Å; F1527-I1531 HydrophobicContact CE2-CD1 4.09Å; F1527-I1531 HydrophobicContact CZ-CD1 3.48Å; F1527-I1531 VanDerWaalsContact CZ-CD1 3.48Å; F1527-I1531 HydrophobicContact CZ-CG1 4.47Å; F1527-I1531 PolarHBondContact O-N 2.98Å; F1527-I1531 VanDerWaalsContact O-N 3.17Å; D1528-I1531 PolarHBondContact O-N 2.94Å; I1531-N1533 VanDerWaalsContact C-N 3.34Å; I1531-N1533 PolarHBondContact O-N 3.06Å |
| 1532 | T | 56.5 | Low | 54.2 | Low | 109 Ų | 109 | 85.5 Ų | 85.5 | 67% | 0.669 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -70.6 | -29 | 180 | 54.6 | 0 | 0 | 0 | 0 | 112.9 | D1528 N1534 | D1528-T1532 VanDerWaalsContact O-CB 3.31Å; D1528-T1532 WeakPolarHBondContact O-CB 3.29Å; D1528-T1532 VanDerWaalsContact O-CG2 3.29Å; D1528-T1532 WeakPolarHBondContact O-CG2 3.37Å; D1528-T1532 PolarHBondContact O-N 3.39Å; D1528-T1532 PolarHBondContact O-OG1 2.99Å; T1532-N1534 PolarHBondContact O-N 3.03Å |
| 1533 | N | 63.3 | Low | 55.7 | Low | 39 Ų | 39 | 81.3 Ų | 81.3 | 21% | 0.209 | 40% | 0.401 | C | S | . | . | trans | -78.9 | 92.5 | 175.7 | -167.6 | -35 | 0 | 0 | 0 | 110.9 | Y1529 I1531 H1535 I1536 Y1537 | Y1529-N1533 WeakPolarHBondContact O-CB 3.34Å; Y1529-N1533 PolarHBondContact O-N 3.29Å; I1531-N1533 VanDerWaalsContact C-N 3.34Å; I1531-N1533 PolarHBondContact O-N 3.06Å; N1533-H1535 PolarHBondContact O-N 3.49Å; N1533-H1535 PolarHBondContact OD1-N 3.34Å; N1533-I1536 HydrophobicContact CB-CB 4.18Å; N1533-I1536 HydrophobicContact CB-CD1 3.9Å; N1533-I1536 HydrophobicContact CB-CG1 4.06Å; N1533-I1536 WeakPolarHBondContact O-CA 3.35Å; N1533-I1536 WeakPolarHBondContact O-CB 3.48Å; N1533-I1536 PolarHBondContact O-N 2.98Å; N1533-Y1537 PolarHBondContact O-N 3.33Å | ||
| 1534 | N | 65.4 | Low | 56.9 | Low | 113 Ų | 113 | 73.2 Ų | 73.2 | 60% | 0.604 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -52.9 | -30.4 | -174.4 | -142.4 | 0.4 | 0 | 0 | 0 | 114 | T1532 E1538 | T1532-N1534 PolarHBondContact O-N 3.03Å; N1534-E1538 PolarHBondContact O-N 2.95Å |
| 1535 | H | 64.2 | Low | 58 | Low | 151 Ų | 151 | 74 Ų | 74 | 70% | 0.699 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -72.4 | -38.5 | 174.3 | -81.4 | -66.8 | 0 | 0 | 0 | 113.1 | N1533 R1539 | N1533-H1535 PolarHBondContact O-N 3.49Å; N1533-H1535 PolarHBondContact OD1-N 3.34Å; H1535-R1539 VanDerWaalsContact O-CB 3.31Å; H1535-R1539 WeakPolarHBondContact O-CB 3.37Å; H1535-R1539 PolarHBondContact O-N 3.1Å; H1535-R1539 VanDerWaalsContact O-N 3.07Å |
| 1536 | I | 62.2 | Low | 58.5 | Low | 18 Ų | 18 | 75.7 Ų | 75.7 | 9% | 0.092 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.8 | -41.8 | 174 | -61 | 178.4 | 0 | 0 | 0 | 109.6 | L1486 L1494 Y1529 L1530 N1533 R1539 L1540 | L1486-I1536 HydrophobicContact CD2-CD1 4.28Å; L1486-I1536 HydrophobicContact CD2-CG1 3.98Å; L1494-I1536 HydrophobicContact CD2-CG2 4.47Å; Y1529-I1536 HydrophobicContact CD1-CD1 4.31Å; Y1529-I1536 HydrophobicContact CE1-CD1 3.84Å; L1530-I1536 HydrophobicContact CD2-CG2 3.92Å; N1533-I1536 HydrophobicContact CB-CB 4.18Å; N1533-I1536 HydrophobicContact CB-CD1 3.9Å; N1533-I1536 HydrophobicContact CB-CG1 4.06Å; N1533-I1536 WeakPolarHBondContact O-CA 3.35Å; N1533-I1536 WeakPolarHBondContact O-CB 3.48Å; N1533-I1536 PolarHBondContact O-N 2.98Å; I1536-R1539 PolarHBondContact O-N 2.71Å; I1536-L1540 HydrophobicContact CG2-CD1 4.03Å; I1536-L1540 HydrophobicContact CG2-CG 4.44Å; I1536-L1540 WeakPolarHBondContact O-CB 3.28Å; I1536-L1540 PolarHBondContact O-N 3.39Å |
| 1537 | Y | 64.4 | Low | 59.1 | Low | 55 Ų | 55 | 75.1 Ų | 75.1 | 22% | 0.216 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.4 | -52.5 | 176.3 | -178.1 | -99.2 | 0 | 0 | 0 | 112.4 | N1533 R1539 L1540 K1541 V1600 | N1533-Y1537 PolarHBondContact O-N 3.33Å; Y1537-R1539 VanDerWaalsContact C-N 3.3Å; Y1537-R1539 PolarHBondContact O-N 2.9Å; Y1537-L1540 PolarHBondContact O-N 3.29Å; Y1537-K1541 HydrophobicContact CE1-CD 4.23Å; Y1537-K1541 WeakPolarHBondContact O-CB 3.21Å; Y1537-K1541 PolarHBondContact O-N 3.46Å; Y1537-V1600 HydrophobicContact CE2-CG2 3.96Å |
| 1538 | E | 66.5 | Low | 59.4 | Low | 88 Ų | 88 | 77.7 Ų | 77.7 | 41% | 0.411 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.2 | -30 | 176.7 | -68.6 | -60.6 | 124.1 | 0 | 0 | 112.7 | N1534 K1541 Q1542 | N1534-E1538 PolarHBondContact O-N 2.95Å; E1538-K1541 VanDerWaalsContact OE1-CD 3.29Å; E1538-K1541 WeakPolarHBondContact OE1-CD 3.4Å; E1538-K1541 IonicContact OE1-NZ 3.48Å; E1538-K1541 PolarHBondContact OE1-NZ 2.88Å; E1538-K1541 VanDerWaalsContact OE2-CD 3.27Å; E1538-K1541 WeakPolarHBondContact OE2-CD 3.43Å; E1538-K1541 IonicContact OE2-NZ 3.66Å; E1538-K1541 PolarHBondContact OE2-NZ 3.34Å; E1538-Q1542 WeakPolarHBondContact O-CB 3.26Å; E1538-Q1542 PolarHBondContact O-N 3.2Å |
| 1539 | R | 63.1 | Low | 59.1 | Low | 64 Ų | 64 | 79.5 Ų | 79.5 | 24% | 0.242 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -70.9 | -42 | 174.7 | -171.9 | 57.9 | 170.9 | 149.5 | 3.8 | 112.4 | Q1487 H1535 I1536 Y1537 Q1542 L1543 | Q1487-R1539 PolarHBondContact O-NH2 2.7Å; H1535-R1539 VanDerWaalsContact O-CB 3.31Å; H1535-R1539 WeakPolarHBondContact O-CB 3.37Å; H1535-R1539 PolarHBondContact O-N 3.1Å; H1535-R1539 VanDerWaalsContact O-N 3.07Å; I1536-R1539 PolarHBondContact O-N 2.71Å; Y1537-R1539 VanDerWaalsContact C-N 3.3Å; Y1537-R1539 PolarHBondContact O-N 2.9Å; R1539-Q1542 WeakPolarHBondContact O-CB 3.49Å; R1539-Q1542 PolarHBondContact O-N 3.06Å; R1539-L1543 HydrophobicContact CG-CD1 4.34Å; R1539-L1543 WeakPolarHBondContact O-CG 3.43Å; R1539-L1543 PolarHBondContact O-N 3.36Å |
| 1540 | L | 61.3 | Low | 58.3 | Low | 8 Ų | 8 | 78.2 Ų | 78.2 | 4% | 0.042 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.2 | -48.5 | 170.5 | -83 | 166.1 | 0 | 0 | 0 | 110.8 | L1491 L1494 I1536 Y1537 Q1542 L1543 F1544 | L1491-L1540 HydrophobicContact CD1-CD2 4.19Å; L1494-L1540 HydrophobicContact CD1-CD2 3.94Å; L1494-L1540 HydrophobicContact CD1-CG 4.35Å; L1494-L1540 HydrophobicContact CD2-CD2 4.41Å; I1536-L1540 HydrophobicContact CG2-CD1 4.03Å; I1536-L1540 HydrophobicContact CG2-CG 4.44Å; I1536-L1540 WeakPolarHBondContact O-CB 3.28Å; I1536-L1540 PolarHBondContact O-N 3.39Å; Y1537-L1540 PolarHBondContact O-N 3.29Å; L1540-Q1542 PolarHBondContact O-N 2.9Å; L1540-L1543 PolarHBondContact O-N 3.3Å; L1540-L1543 VanDerWaalsContact O-N 3.16Å; L1540-F1544 HydrophobicContact CD2-CE2 4.37Å; L1540-F1544 VanDerWaalsContact O-CD2 3.3Å; L1540-F1544 WeakPolarHBondContact O-CD2 3.41Å; L1540-F1544 PolarHBondContact O-N 3.2Å |
| 1541 | K | 64.3 | Low | 58 | Low | 62 Ų | 62 | 79 Ų | 79 | 27% | 0.27 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.2 | -29.9 | 177.3 | -168.6 | -167.8 | -174.7 | -170.4 | 0 | 112.8 | Y1537 E1538 V1600 | Y1537-K1541 HydrophobicContact CE1-CD 4.23Å; Y1537-K1541 WeakPolarHBondContact O-CB 3.21Å; Y1537-K1541 PolarHBondContact O-N 3.46Å; E1538-K1541 VanDerWaalsContact OE1-CD 3.29Å; E1538-K1541 WeakPolarHBondContact OE1-CD 3.4Å; E1538-K1541 IonicContact OE1-NZ 3.48Å; E1538-K1541 PolarHBondContact OE1-NZ 2.88Å; E1538-K1541 VanDerWaalsContact OE2-CD 3.27Å; E1538-K1541 WeakPolarHBondContact OE2-CD 3.43Å; E1538-K1541 IonicContact OE2-NZ 3.66Å; E1538-K1541 PolarHBondContact OE2-NZ 3.34Å; K1541-V1600 HydrophobicContact CB-CG1 4.38Å |
| 1542 | Q | 67.1 | Low | 57.6 | Low | 96 Ų | 96 | 76.4 Ų | 76.4 | 45% | 0.449 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -76.5 | -46.7 | 171.6 | -167.1 | -179.9 | 34.6 | 0 | 0 | 112 | E1538 R1539 L1540 F1544 K1545 E1546 | E1538-Q1542 WeakPolarHBondContact O-CB 3.26Å; E1538-Q1542 PolarHBondContact O-N 3.2Å; R1539-Q1542 WeakPolarHBondContact O-CB 3.49Å; R1539-Q1542 PolarHBondContact O-N 3.06Å; L1540-Q1542 PolarHBondContact O-N 2.9Å; Q1542-F1544 PolarHBondContact O-N 3.48Å; Q1542-K1545 WeakPolarHBondContact O-CA 3.42Å; Q1542-K1545 VanDerWaalsContact O-CB 3.22Å; Q1542-K1545 WeakPolarHBondContact O-CB 3.32Å; Q1542-K1545 PolarHBondContact O-N 3.45Å; Q1542-E1546 PolarHBondContact O-N 3.09Å |
| 1543 | L | 60.6 | Low | 56.9 | Low | 11 Ų | 11 | 76.8 Ų | 76.8 | 6% | 0.058 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 177.7 | -71.3 | 166.8 | 0 | 0 | 0 | 112.2 | L1491 L1494 R1539 L1540 K1545 E1546 Y1547 | L1491-L1543 HydrophobicContact CB-CB 4.47Å; L1491-L1543 HydrophobicContact CB-CD1 4.29Å; L1491-L1543 HydrophobicContact CD1-CB 4.2Å; L1491-L1543 HydrophobicContact CD1-CD1 4.29Å; L1494-L1543 HydrophobicContact CD1-CD1 3.96Å; R1539-L1543 HydrophobicContact CG-CD1 4.34Å; R1539-L1543 WeakPolarHBondContact O-CG 3.43Å; R1539-L1543 PolarHBondContact O-N 3.36Å; L1540-L1543 PolarHBondContact O-N 3.3Å; L1540-L1543 VanDerWaalsContact O-N 3.16Å; L1543-K1545 PolarHBondContact O-N 3.39Å; L1543-E1546 PolarHBondContact O-N 2.96Å; L1543-Y1547 PolarHBondContact O-N 3.44Å |
| 1544 | F | 56.4 | Low | 55.6 | Low | 25 Ų | 25 | 80.5 Ų | 80.5 | 11% | 0.11 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.2 | -18.7 | 173.7 | -85.9 | -66.9 | 0 | 0 | 0 | 113.8 | L1540 Q1542 I1552 L1596 V1600 Y1601 | L1540-F1544 HydrophobicContact CD2-CE2 4.37Å; L1540-F1544 VanDerWaalsContact O-CD2 3.3Å; L1540-F1544 WeakPolarHBondContact O-CD2 3.41Å; L1540-F1544 PolarHBondContact O-N 3.2Å; Q1542-F1544 PolarHBondContact O-N 3.48Å; F1544-I1552 HydrophobicContact CD1-CD1 4.3Å; F1544-L1596 HydrophobicContact CE2-CD2 4.01Å; F1544-L1596 HydrophobicContact CE2-CG 4.34Å; F1544-L1596 HydrophobicContact CZ-CD2 3.89Å; F1544-L1596 HydrophobicContact CZ-CG 4.5Å; F1544-V1600 HydrophobicContact CD2-CG1 4.07Å; F1544-Y1601 HydrophobicContact CD1-CD2 4.44Å |
| 1545 | K | 58.7 | Low | 54.3 | Low | 170 Ų | 170 | 77 Ų | 77 | 74% | 0.739 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -84.5 | -20.1 | 178.2 | -160.8 | 180 | -179.3 | -176.4 | 0 | 113 | Q1542 L1543 | Q1542-K1545 WeakPolarHBondContact O-CA 3.42Å; Q1542-K1545 VanDerWaalsContact O-CB 3.22Å; Q1542-K1545 WeakPolarHBondContact O-CB 3.32Å; Q1542-K1545 PolarHBondContact O-N 3.45Å; L1543-K1545 PolarHBondContact O-N 3.39Å |
| 1546 | E | 55.6 | Low | 53 | Low | 132 Ų | 132 | 72.8 Ų | 72.8 | 62% | 0.617 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -90.3 | -19 | 178.2 | -67.5 | 174.1 | -179.5 | 0 | 0 | 112.4 | Q1542 L1543 | Q1542-E1546 PolarHBondContact O-N 3.09Å; L1543-E1546 PolarHBondContact O-N 2.96Å |
| 1547 | Y | 53.7 | Low | 51.7 | Low | 73 Ų | 73 | 76.6 Ų | 76.6 | 29% | 0.286 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -85 | 131.4 | -177.1 | -92.3 | -124.4 | 0 | 0 | 0 | 113.2 | L1491 L1543 N1551 | L1491-Y1547 HydrophobicContact CB-CE2 4.47Å; L1491-Y1547 HydrophobicContact CD2-CD1 4.01Å; L1491-Y1547 HydrophobicContact CD2-CD2 4.06Å; L1491-Y1547 HydrophobicContact CD2-CE1 3.86Å; L1491-Y1547 HydrophobicContact CD2-CE2 3.91Å; L1491-Y1547 HydrophobicContact CD2-CG 4.13Å; L1543-Y1547 PolarHBondContact O-N 3.44Å; Y1547-N1551 HydrophobicContact CD1-CB 3.53Å; Y1547-N1551 HydrophobicContact CE1-CB 3.96Å; Y1547-N1551 HydrophobicContact CG-CB 4.42Å |
| 1548 | T | 50.9 | Low | 50.3 | Low | 80 Ų | 80 | 78.9 Ų | 78.9 | 49% | 0.491 | 38% | 0.378 | S | S | . | . | trans | -71 | 153.6 | 172.6 | 57.5 | 0 | 0 | 0 | 0 | 111.7 | T1550 N1551 I1552 | T1548-T1550 PolarHBondContact O-N 3.12Å; T1548-T1550 VanDerWaalsContact O-N 3.08Å; T1548-N1551 PolarHBondContact O-N 3.47Å; T1548-I1552 PolarHBondContact O-N 2.84Å; T1548-I1552 VanDerWaalsContact O-N 3.12Å | ||
| 1549 | Q | 42.2 | Very low | 48.7 | Very low | 151 Ų | 151 | 76.7 Ų | 76.7 | 71% | 0.706 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -47.4 | -40.4 | 173.7 | -79.7 | -174.8 | -41.4 | 0 | 0 | 112.3 | N1551 I1552 M1553 | Q1549-N1551 VanDerWaalsContact C-N 3.34Å; Q1549-N1551 PolarHBondContact O-N 2.9Å; Q1549-I1552 PolarHBondContact O-N 3.27Å; Q1549-M1553 PolarHBondContact O-N 2.95Å |
| 1550 | T | 40 | Very low | 47.2 | Very low | 94 Ų | 94 | 80 Ų | 80 | 58% | 0.577 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59.1 | -40.3 | 178.1 | -40.2 | 0 | 0 | 0 | 0 | 112.9 | T1548 K1554 | T1548-T1550 PolarHBondContact O-N 3.12Å; T1548-T1550 VanDerWaalsContact O-N 3.08Å; T1550-K1554 WeakPolarHBondContact O-CG 3.22Å; T1550-K1554 PolarHBondContact O-N 2.94Å |
| 1551 | N | 47.2 | Very low | 45.9 | Very low | 53 Ų | 53 | 86.9 Ų | 86.9 | 28% | 0.283 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -78.6 | -30.6 | 178.8 | -73.2 | -9.2 | 0 | 0 | 0 | 112.1 | Y1547 T1548 Q1549 K1554 C1555 | Y1547-N1551 HydrophobicContact CD1-CB 3.53Å; Y1547-N1551 HydrophobicContact CE1-CB 3.96Å; Y1547-N1551 HydrophobicContact CG-CB 4.42Å; T1548-N1551 PolarHBondContact O-N 3.47Å; Q1549-N1551 VanDerWaalsContact C-N 3.34Å; Q1549-N1551 PolarHBondContact O-N 2.9Å; N1551-K1554 WeakPolarHBondContact O-CB 3.39Å; N1551-K1554 PolarHBondContact O-N 2.95Å; N1551-K1554 PolarHBondContact OD1-NZ 3.14Å; N1551-C1555 PolarHBondContact O-N 3.19Å; N1551-C1555 PolarHBondContact O-SG 2.78Å |
| 1552 | I | 46.4 | Very low | 44.3 | Very low | 12 Ų | 12 | 88.1 Ų | 88.1 | 6% | 0.062 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -69.5 | -40.8 | 173.4 | -62.6 | 175 | 0 | 0 | 0 | 110.3 | F1544 T1548 Q1549 K1554 C1555 I1556 Y1601 | F1544-I1552 HydrophobicContact CD1-CD1 4.3Å; T1548-I1552 PolarHBondContact O-N 2.84Å; T1548-I1552 VanDerWaalsContact O-N 3.12Å; Q1549-I1552 PolarHBondContact O-N 3.27Å; I1552-K1554 VanDerWaalsContact C-N 3.34Å; I1552-K1554 PolarHBondContact O-N 2.99Å; I1552-C1555 WeakPolarHBondContact O-CB 3.2Å; I1552-C1555 PolarHBondContact O-N 2.92Å; I1552-C1555 VanDerWaalsContact O-N 3.14Å; I1552-I1556 HydrophobicContact CG2-CD1 4.31Å; I1552-I1556 WeakPolarHBondContact O-CG1 3.48Å; I1552-I1556 PolarHBondContact O-N 3.47Å; I1552-Y1601 HydrophobicContact CD1-CD2 4.49Å; I1552-Y1601 HydrophobicContact CD1-CE2 3.5Å; I1552-Y1601 VanDerWaalsContact CD1-CE2 3.5Å; I1552-Y1601 WeakPolarHBondContact CD1-OH 3.43Å |
| 1553 | M | 41.7 | Very low | 42.4 | Very low | 118 Ų | 118 | 89.3 Ų | 89.3 | 58% | 0.581 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62.9 | -35.6 | 170.1 | -95.3 | 163.3 | 63.9 | 0 | 0 | 112.8 | Q1549 I1556 L1557 | Q1549-M1553 PolarHBondContact O-N 2.95Å; M1553-I1556 PolarHBondContact O-N 3.2Å; M1553-L1557 WeakPolarHBondContact O-CB 3.44Å; M1553-L1557 WeakPolarHBondContact O-CD1 3.44Å; M1553-L1557 VanDerWaalsContact O-CG 3.24Å; M1553-L1557 WeakPolarHBondContact O-CG 3.41Å; M1553-L1557 PolarHBondContact O-N 2.96Å |
| 1554 | K | 36.7 | Very low | 41 | Very low | 117 Ų | 117 | 93.4 Ų | 93.4 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 169.8 | -73.1 | 171.2 | -166.9 | 163.3 | 0 | 111.9 | T1550 N1551 I1552 L1557 Y1558 | T1550-K1554 WeakPolarHBondContact O-CG 3.22Å; T1550-K1554 PolarHBondContact O-N 2.94Å; N1551-K1554 WeakPolarHBondContact O-CB 3.39Å; N1551-K1554 PolarHBondContact O-N 2.95Å; N1551-K1554 PolarHBondContact OD1-NZ 3.14Å; I1552-K1554 VanDerWaalsContact C-N 3.34Å; I1552-K1554 PolarHBondContact O-N 2.99Å; K1554-L1557 PolarHBondContact O-N 3.15Å; K1554-Y1558 WeakPolarHBondContact O-CB 3.2Å; K1554-Y1558 PolarHBondContact O-N 2.75Å |
| 1555 | C | 36.9 | Very low | 39.7 | Very low | 40 Ų | 40 | 100 Ų | 100 | 27% | 0.27 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 179.3 | -62.1 | 0 | 0 | 0 | 0 | 111.7 | N1551 I1552 Y1558 S1559 | N1551-C1555 PolarHBondContact O-N 3.19Å; N1551-C1555 PolarHBondContact O-SG 2.78Å; I1552-C1555 WeakPolarHBondContact O-CB 3.2Å; I1552-C1555 PolarHBondContact O-N 2.92Å; I1552-C1555 VanDerWaalsContact O-N 3.14Å; C1555-Y1558 PolarHBondContact O-N 2.81Å; C1555-S1559 PolarHBondContact O-N 2.71Å |
| 1556 | I | 37.9 | Very low | 38.1 | Very low | 61 Ų | 61 | 98.5 Ų | 98.5 | 31% | 0.313 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.5 | -53.2 | 173.7 | -65.8 | 165.3 | 0 | 0 | 0 | 110.1 | I1552 M1553 Y1558 S1559 E1560 | I1552-I1556 HydrophobicContact CG2-CD1 4.31Å; I1552-I1556 WeakPolarHBondContact O-CG1 3.48Å; I1552-I1556 PolarHBondContact O-N 3.47Å; M1553-I1556 PolarHBondContact O-N 3.2Å; I1556-Y1558 VanDerWaalsContact C-N 3.26Å; I1556-Y1558 PolarHBondContact O-N 3.23Å; I1556-S1559 PolarHBondContact O-N 3.45Å; I1556-S1559 VanDerWaalsContact O-N 3.07Å; I1556-S1559 PolarHBondContact O-OG 3.31Å; I1556-E1560 PolarHBondContact O-N 3.43Å; I1556-E1560 VanDerWaalsContact O-N 3.07Å |
| 1557 | L | 34.9 | Very low | 36.6 | Very low | 98 Ų | 98 | 99.9 Ų | 99.9 | 51% | 0.513 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.9 | -28.2 | 179.1 | -70 | 165.6 | 0 | 0 | 0 | 113.6 | M1553 K1554 Y1561 | M1553-L1557 WeakPolarHBondContact O-CB 3.44Å; M1553-L1557 WeakPolarHBondContact O-CD1 3.44Å; M1553-L1557 VanDerWaalsContact O-CG 3.24Å; M1553-L1557 WeakPolarHBondContact O-CG 3.41Å; M1553-L1557 PolarHBondContact O-N 2.96Å; K1554-L1557 PolarHBondContact O-N 3.15Å; L1557-Y1561 PolarHBondContact O-N 3.42Å |
| 1558 | Y | 33.5 | Very low | 35.3 | Very low | 103 Ų | 103 | 104 Ų | 104 | 40% | 0.404 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -75.3 | -35.8 | 174.1 | -125.1 | -103 | 0 | 0 | 0 | 112.2 | P1472 Y1496 K1554 C1555 I1556 E1560 Y1561 S1562 | P1472-Y1558 WeakPolarHBondContact CD-OH 3.3Å; Y1496-Y1558 HydrophobicContact CE1-CD1 4.14Å; K1554-Y1558 WeakPolarHBondContact O-CB 3.2Å; K1554-Y1558 PolarHBondContact O-N 2.75Å; C1555-Y1558 PolarHBondContact O-N 2.81Å; I1556-Y1558 VanDerWaalsContact C-N 3.26Å; I1556-Y1558 PolarHBondContact O-N 3.23Å; Y1558-E1560 VanDerWaalsContact C-N 3.31Å; Y1558-Y1561 PolarHBondContact O-N 2.56Å; Y1558-S1562 PolarHBondContact O-N 3.35Å; Y1558-S1562 PolarHBondContact O-OG 3.19Å |
| 1559 | S | 32.9 | Very low | 34 | Very low | 43 Ų | 43 | 104.8 Ų | 104.8 | 30% | 0.301 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.6 | -32.3 | 173 | 71.4 | 0 | 0 | 0 | 0 | 112.4 | C1555 I1556 Y1561 S1562 | C1555-S1559 PolarHBondContact O-N 2.71Å; I1556-S1559 PolarHBondContact O-N 3.45Å; I1556-S1559 VanDerWaalsContact O-N 3.07Å; I1556-S1559 PolarHBondContact O-OG 3.31Å; S1559-Y1561 VanDerWaalsContact C-N 3.31Å; S1559-Y1561 PolarHBondContact O-N 3.22Å; S1559-S1562 PolarHBondContact O-OG 2.73Å |
| 1560 | E | 32.8 | Very low | 33.1 | Very low | 132 Ų | 132 | 104.4 Ų | 104.4 | 62% | 0.617 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -71.6 | -23.7 | 173.9 | -68.2 | 179.3 | 152.7 | 0 | 0 | 113 | I1556 Y1558 | I1556-E1560 PolarHBondContact O-N 3.43Å; I1556-E1560 VanDerWaalsContact O-N 3.07Å; Y1558-E1560 VanDerWaalsContact C-N 3.31Å |
| 1561 | Y | 32.9 | Very low | 32.4 | Very low | 154 Ų | 154 | 106.3 Ų | 106.3 | 60% | 0.604 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -90.3 | -17.3 | -176.3 | -125.1 | -83.9 | 0 | 0 | 0 | 114.8 | V1467 L1557 Y1558 S1559 | V1467-Y1561 PolarHBondContact O-OH 2.9Å; L1557-Y1561 PolarHBondContact O-N 3.42Å; Y1558-Y1561 PolarHBondContact O-N 2.56Å; S1559-Y1561 VanDerWaalsContact C-N 3.31Å; S1559-Y1561 PolarHBondContact O-N 3.22Å |
| 1562 | S | 30.4 | Very low | 31.4 | Very low | 87 Ų | 87 | 112.2 Ų | 112.2 | 61% | 0.608 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -84.4 | -23.3 | -178.4 | 34.8 | 0 | 0 | 0 | 0 | 113.6 | Y1558 S1559 S1564 | Y1558-S1562 PolarHBondContact O-N 3.35Å; Y1558-S1562 PolarHBondContact O-OG 3.19Å; S1559-S1562 PolarHBondContact O-OG 2.73Å; S1562-S1564 PolarHBondContact O-N 2.8Å |
| 1563 | N | 29 | Very low | 30.4 | Very low | 122 Ų | 122 | 115.4 Ų | 115.4 | 65% | 0.652 | 62% | 0.616 | S | S | * | * | trans | -92.6 | 65.7 | -178.8 | -82.1 | -17.1 | 0 | 0 | 0 | 113.2 | ||||
| 1564 | S | 30.2 | Very low | 29.7 | Very low | 96 Ų | 96 | 114.5 Ų | 114.5 | 67% | 0.671 | 62% | 0.621 | S | S | * | * | trans | -132.2 | 104.1 | 166.6 | 57.7 | 0 | 0 | 0 | 0 | 112.7 | S1562 T1566 | S1562-S1564 PolarHBondContact O-N 2.8Å; S1564-T1566 PolarHBondContact O-N 3.33Å | ||
| 1565 | N | 28.3 | Very low | 29.2 | Very low | 164 Ų | 164 | 113.3 Ų | 113.3 | 88% | 0.877 | 63% | 0.628 | S | S | * | * | trans | -78.4 | 103.9 | -174.3 | -75.2 | -27.3 | 0 | 0 | 0 | 113.1 | ||||
| 1566 | T | 25.4 | Very low | 28.6 | Very low | 139 Ų | 139 | 118.8 Ų | 118.8 | 85% | 0.853 | 65% | 0.654 | S | S | * | * | trans | -155.5 | 71.2 | 140.6 | 48.1 | 0 | 0 | 0 | 0 | 110.5 | S1564 | S1564-T1566 PolarHBondContact O-N 3.33Š| ||
| 1567 | I | 25.1 | Very low | 28.1 | Very low | 160 Ų | 160 | 124.5 Ų | 124.5 | 82% | 0.821 | 68% | 0.682 | S | S | * | * | trans | -102 | 99.3 | 162.2 | -59.5 | 177.4 | 0 | 0 | 0 | 107.3 | P1569 | I1567-P1569 WeakPolarHBondContact O-CD 3.44Š| ||
| 1568 | N | 25 | Very low | 27.8 | Very low | 159 Ų | 159 | 125.7 Ų | 125.7 | 85% | 0.85 | 69% | 0.693 | S | S | * | * | trans | -88.1 | 116.6 | 161.2 | -84.6 | -0.1 | 0 | 0 | 0 | 108.2 | ||||
| 1569 | P | 23.8 | Very low | 27.3 | Very low | 98 Ų | 98 | 128.2 Ų | 128.2 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | trans | -73.5 | -159.1 | 158.9 | 35.2 | -34.7 | 0 | 0 | 0 | 109.4 | I1567 | I1567-P1569 WeakPolarHBondContact O-CD 3.44Š| ||
| 1570 | I | 24.7 | Very low | 26.9 | Very low | 143 Ų | 143 | 132 Ų | 132 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | trans | 79.2 | 122.4 | 175.7 | -61.9 | 170.3 | 0 | 0 | 0 | 113.5 | ||||
| 1571 | M | 25.2 | Very low | 26.4 | Very low | 133 Ų | 133 | 131 Ų | 131 | 66% | 0.655 | 74% | 0.743 | S | S | * | * | cis | -147.4 | 130.6 | -5.3 | -129.8 | -175.8 | -97.5 | 0 | 0 | 112.1 | S1573 | M1571-S1573 WeakPolarHBondContact CG-OG 3.36Å; M1571-S1573 PolarHBondContact SD-OG 2.76Å | ||
| 1572 | I | 24.9 | Very low | 26.1 | Very low | 178 Ų | 178 | 133 Ų | 133 | 91% | 0.913 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -91 | 106.6 | 134.8 | -62.4 | 168.4 | 0 | 0 | 0 | 105.1 | ||
| 1573 | S | 27.4 | Very low | 25.7 | Very low | 78 Ų | 78 | 135.6 Ų | 135.6 | 55% | 0.545 | 77% | 0.767 | S | S | . | * | trans | 175.8 | 145.8 | 147.3 | 50.2 | 0 | 0 | 0 | 0 | 111.6 | M1571 | M1571-S1573 WeakPolarHBondContact CG-OG 3.36Å; M1571-S1573 PolarHBondContact SD-OG 2.76Å | ||
| 1574 | S | 25.7 | Very low | 25.5 | Very low | 100 Ų | 100 | 137.7 Ų | 137.7 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | -68.8 | 163.7 | 167.5 | 49.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1575 | S | 26.9 | Very low | 25.3 | Very low | 92 Ų | 92 | 138.3 Ų | 138.3 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | trans | 61.8 | 116.9 | 153.4 | 55.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1576 | N | 24.5 | Very low | 25.2 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | 56 | 101.2 | 135.4 | -53.6 | -9.6 | 0 | 0 | 0 | 119.5 | ||||
| 1577 | M | 27.4 | Very low | 25.2 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | -172.6 | 174.7 | 102.7 | -97.6 | -164.2 | 77.5 | 0 | 0 | 112.2 | |||||
| 1578 | T | 27.1 | Very low | 25.3 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | -93.7 | 154.9 | -164.6 | 46.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1579 | I | 24.3 | Very low | 25.8 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 80% | 0.795 | 75% | 0.754 | S | S | * | * | trans | -58.5 | 156.9 | 170.7 | -10 | 177.3 | 0 | 0 | 0 | 112.1 | ||||
| 1580 | P | 24.5 | Very low | 26.5 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | -141.4 | 174.1 | 88.1 | 38.6 | -23.3 | 0 | 0 | 0 | 115.4 | |||||
| 1581 | S | 22.6 | Very low | 27.4 | Very low | 111 Ų | 111 | 133 Ų | 133 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | trans | -86 | 144.1 | -175.5 | 54.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1582 | M | 25.9 | Very low | 28.3 | Very low | 194 Ų | 194 | 128.7 Ų | 128.7 | 96% | 0.956 | 71% | 0.711 | S | S | * | * | trans | -155.7 | 164.1 | 144.9 | -106.9 | -62.9 | 171.3 | 0 | 0 | 109.7 | ||||
| 1583 | D | 22.4 | Very low | 29.2 | Very low | 142 Ų | 142 | 123.4 Ų | 123.4 | 76% | 0.759 | 69% | 0.685 | S | S | * | * | trans | -125.6 | 167.5 | -163.5 | -153.8 | -16.5 | 0 | 0 | 0 | 112.2 | ||||
| 1584 | Q | 24.9 | Very low | 30 | Very low | 167 Ų | 167 | 126.6 Ų | 126.6 | 78% | 0.78 | 69% | 0.686 | S | S | * | * | trans | 79.7 | 138 | 167 | -54.3 | -179.5 | 8.6 | 0 | 0 | 121.4 | ||||
| 1585 | S | 25.5 | Very low | 31.2 | Very low | 109 Ų | 109 | 126 Ų | 126 | 76% | 0.762 | 67% | 0.672 | S | S | * | * | trans | 78.4 | 88 | 149.3 | 67.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1586 | V | 26.2 | Very low | 32.2 | Very low | 143 Ų | 143 | 122.5 Ų | 122.5 | 87% | 0.867 | 65% | 0.646 | S | S | * | * | trans | -130.2 | 131.3 | 132.2 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1587 | T | 25.3 | Very low | 33.4 | Very low | 113 Ų | 113 | 117.2 Ų | 117.2 | 69% | 0.693 | 62% | 0.617 | S | S | * | * | trans | -135.6 | 178.2 | 173 | 47.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1588 | Y | 27.5 | Very low | 34.5 | Very low | 191 Ų | 191 | 112.6 Ų | 112.6 | 75% | 0.749 | 59% | 0.593 | S | S | * | * | trans | 71.4 | 143.2 | -158.7 | -50.4 | -80.3 | 0 | 0 | 0 | 112 | ||||
| 1589 | K | 34.8 | Very low | 35.8 | Very low | 135 Ų | 135 | 111.4 Ų | 111.4 | 59% | 0.587 | 58% | 0.579 | S | S | * | * | cis | -127.6 | 109.1 | 18.1 | -68.2 | 171.6 | 145.3 | -151.7 | 0 | 113.8 | D1592 | K1589-D1592 VanDerWaalsContact CD-OD1 3.3Å; K1589-D1592 WeakPolarHBondContact CD-OD1 3.27Å; K1589-D1592 WeakPolarHBondContact CE-OD1 3.29Å; K1589-D1592 IonicContact NZ-OD1 3.26Å; K1589-D1592 PolarHBondContact NZ-OD1 3.4Å; K1589-D1592 IonicContact NZ-OD2 2.71Å; K1589-D1592 PolarHBondContact NZ-OD2 3.21Å | ||
| 1590 | D | 39.8 | Very low | 37.2 | Very low | 87 Ų | 87 | 104.2 Ų | 104.2 | 47% | 0.465 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -87.4 | -12.8 | 159.3 | -100.9 | 20.5 | 0 | 0 | 0 | 111.7 | R1632 | D1590-R1632 IonicContact OD2-CZ 2.67Å; D1590-R1632 IonicContact OD2-NH1 2.77Å; D1590-R1632 IonicContact OD2-NH2 3.76Å; D1590-R1632 PolarHBondContact OD2-NH2 3.23Å |
| 1591 | N | 41.8 | Very low | 38.4 | Very low | 82 Ų | 82 | 101.3 Ų | 101.3 | 44% | 0.439 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -78.6 | -40.4 | -164.5 | -69.8 | 4.1 | 0 | 0 | 0 | 114.1 | L1593 Y1594 E1595 | N1591-L1593 VanDerWaalsContact C-N 3.31Å; N1591-L1593 PolarHBondContact O-N 2.99Å; N1591-Y1594 CarbonylContact O-C 3.56Å; N1591-Y1594 WeakPolarHBondContact O-CA 3.35Å; N1591-Y1594 WeakPolarHBondContact O-CB 3.2Å; N1591-Y1594 PolarHBondContact O-N 2.96Å; N1591-E1595 PolarHBondContact O-N 3.19Å |
| 1592 | D | 45.4 | Very low | 39.7 | Very low | 43 Ų | 43 | 100.7 Ų | 100.7 | 23% | 0.23 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -58.3 | -39.8 | -168.9 | -61.2 | 37.1 | 0 | 0 | 0 | 112.5 | F1527 K1589 L1596 | F1527-D1592 WeakPolarHBondContact CB-OD2 3.49Å; F1527-D1592 HydrophobicContact CD2-CB 3.89Å; F1527-D1592 HydrophobicContact CE2-CB 4.12Å; F1527-D1592 WeakPolarHBondContact CE2-O 3.2Å; F1527-D1592 HydrophobicContact CG-CB 4.25Å; F1527-D1592 WeakPolarHBondContact CZ-O 3.45Å; K1589-D1592 VanDerWaalsContact CD-OD1 3.3Å; K1589-D1592 WeakPolarHBondContact CD-OD1 3.27Å; K1589-D1592 WeakPolarHBondContact CE-OD1 3.29Å; K1589-D1592 IonicContact NZ-OD1 3.26Å; K1589-D1592 PolarHBondContact NZ-OD1 3.4Å; K1589-D1592 IonicContact NZ-OD2 2.71Å; K1589-D1592 PolarHBondContact NZ-OD2 3.21Å; D1592-L1596 WeakPolarHBondContact O-CB 3.49Å; D1592-L1596 PolarHBondContact O-N 3.19Å |
| 1593 | L | 44.5 | Very low | 40.9 | Very low | 67 Ų | 67 | 96 Ų | 96 | 35% | 0.351 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.4 | -34.5 | 175.6 | -172.9 | 66.3 | 0 | 0 | 0 | 112.3 | N1591 L1596 L1597 | N1591-L1593 VanDerWaalsContact C-N 3.31Å; N1591-L1593 PolarHBondContact O-N 2.99Å; L1593-L1596 HydrophobicContact CD1-CD2 4.36Å; L1593-L1597 HydrophobicContact CG-CD1 4.41Å; L1593-L1597 WeakPolarHBondContact O-CG 3.3Å; L1593-L1597 PolarHBondContact O-N 2.95Å |
| 1594 | Y | 43.7 | Very low | 42.2 | Very low | 145 Ų | 145 | 94 Ų | 94 | 57% | 0.569 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.4 | -44.2 | 176.5 | -177.5 | -98.2 | 0 | 0 | 0 | 111.2 | N1591 L1597 Q1598 | N1591-Y1594 CarbonylContact O-C 3.56Å; N1591-Y1594 WeakPolarHBondContact O-CA 3.35Å; N1591-Y1594 WeakPolarHBondContact O-CB 3.2Å; N1591-Y1594 PolarHBondContact O-N 2.96Å; Y1594-L1597 PolarHBondContact O-N 2.95Å; Y1594-Q1598 VanDerWaalsContact CE1-OE1 3.28Å; Y1594-Q1598 WeakPolarHBondContact O-CB 3.28Å; Y1594-Q1598 PolarHBondContact O-N 3.07Å |
| 1595 | E | 50.3 | Low | 43 | Very low | 86 Ų | 86 | 89.2 Ų | 89.2 | 40% | 0.402 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.1 | -37 | 174.8 | -71.4 | -161.7 | 178.3 | 0 | 0 | 112.3 | F1527 N1591 L1597 Q1598 H1599 | F1527-E1595 HydrophobicContact CE1-CB 4.07Å; F1527-E1595 HydrophobicContact CZ-CB 3.74Å; N1591-E1595 PolarHBondContact O-N 3.19Å; E1595-L1597 VanDerWaalsContact C-N 3.33Å; E1595-L1597 PolarHBondContact O-N 2.83Å; E1595-Q1598 PolarHBondContact O-N 2.78Å; E1595-H1599 WeakPolarHBondContact O-CB 3.26Å; E1595-H1599 PolarHBondContact O-CD2 2.88Å; E1595-H1599 PolarHBondContact O-N 2.91Å |
| 1596 | L | 48.4 | Very low | 43.7 | Very low | 19 Ų | 19 | 86.7 Ų | 86.7 | 10% | 0.099 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -57.4 | -46 | 172.3 | -167.2 | 74.2 | 0 | 0 | 0 | 111.4 | F1527 F1544 D1592 L1593 V1600 | F1527-L1596 HydrophobicContact CE2-CB 4.31Å; F1527-L1596 HydrophobicContact CE2-CD1 4.44Å; F1544-L1596 HydrophobicContact CE2-CD2 4.01Å; F1544-L1596 HydrophobicContact CE2-CG 4.34Å; F1544-L1596 HydrophobicContact CZ-CD2 3.89Å; F1544-L1596 HydrophobicContact CZ-CG 4.5Å; D1592-L1596 WeakPolarHBondContact O-CB 3.49Å; D1592-L1596 PolarHBondContact O-N 3.19Å; L1593-L1596 HydrophobicContact CD1-CD2 4.36Å; L1596-V1600 HydrophobicContact CD1-CG2 3.99Å; L1596-V1600 HydrophobicContact CG-CG2 4.45Å; L1596-V1600 VanDerWaalsContact O-CB 3.28Å; L1596-V1600 WeakPolarHBondContact O-CB 3.46Å; L1596-V1600 WeakPolarHBondContact O-CG2 3.46Å; L1596-V1600 PolarHBondContact O-N 3.41Å |
| 1597 | L | 48.9 | Very low | 44.3 | Very low | 44 Ų | 44 | 85 Ų | 85 | 23% | 0.23 | 43% | 0.429 | C | S | . | . | I | π-helix | trans | -67.5 | -36.7 | 175.7 | -71.8 | 167.5 | 0 | 0 | 0 | 112.5 | L1593 Y1594 E1595 Y1601 L1602 | L1593-L1597 HydrophobicContact CG-CD1 4.41Å; L1593-L1597 WeakPolarHBondContact O-CG 3.3Å; L1593-L1597 PolarHBondContact O-N 2.95Å; Y1594-L1597 PolarHBondContact O-N 2.95Å; E1595-L1597 VanDerWaalsContact C-N 3.33Å; E1595-L1597 PolarHBondContact O-N 2.83Å; L1597-Y1601 HydrophobicContact CD2-CD1 4.36Å; L1597-Y1601 HydrophobicContact CD2-CG 4.37Å; L1597-Y1601 WeakPolarHBondContact O-CB 3.18Å; L1597-Y1601 PolarHBondContact O-N 3.37Å; L1597-L1602 PolarHBondContact O-N 2.93Å |
| 1598 | Q | 51.2 | Low | 44.9 | Very low | 84 Ų | 84 | 85.4 Ų | 85.4 | 39% | 0.393 | 43% | 0.426 | S | S | . | . | I | π-helix | trans | -71.7 | -38.7 | 179.5 | -172.3 | 172.3 | -60.5 | 0 | 0 | 113.2 | Y1594 E1595 P1603 | Y1594-Q1598 VanDerWaalsContact CE1-OE1 3.28Å; Y1594-Q1598 WeakPolarHBondContact O-CB 3.28Å; Y1594-Q1598 PolarHBondContact O-N 3.07Å; E1595-Q1598 PolarHBondContact O-N 2.78Å; Q1598-P1603 WeakPolarHBondContact O-CD 3.47Å |
| 1599 | H | 54.7 | Low | 45.7 | Very low | 98 Ų | 98 | 85.6 Ų | 85.6 | 45% | 0.454 | 43% | 0.431 | S | S | . | . | I | π-helix | trans | -92 | -36.6 | -176.3 | -77.2 | -92.7 | 0 | 0 | 0 | 113.8 | E1595 P1603 | E1595-H1599 WeakPolarHBondContact O-CB 3.26Å; E1595-H1599 PolarHBondContact O-CD2 2.88Å; E1595-H1599 PolarHBondContact O-N 2.91Å; H1599-P1603 WeakPolarHBondContact O-CG 3.3Å |
| 1600 | V | 53.7 | Low | 45.9 | Very low | 4 Ų | 4 | 83.2 Ų | 83.2 | 2% | 0.024 | 43% | 0.425 | C | S | . | . | I | π-helix | trans | -92.6 | -41.6 | -176.8 | -172.8 | 0 | 0 | 0 | 0 | 112.4 | Y1537 K1541 F1544 L1596 Q1604 | Y1537-V1600 HydrophobicContact CE2-CG2 3.96Å; K1541-V1600 HydrophobicContact CB-CG1 4.38Å; F1544-V1600 HydrophobicContact CD2-CG1 4.07Å; L1596-V1600 HydrophobicContact CD1-CG2 3.99Å; L1596-V1600 HydrophobicContact CG-CG2 4.45Å; L1596-V1600 VanDerWaalsContact O-CB 3.28Å; L1596-V1600 WeakPolarHBondContact O-CB 3.46Å; L1596-V1600 WeakPolarHBondContact O-CG2 3.46Å; L1596-V1600 PolarHBondContact O-N 3.41Å; V1600-Q1604 PolarHBondContact O-NE2 3.27Å |
| 1601 | Y | 48.8 | Very low | 46.1 | Very low | 64 Ų | 64 | 83.1 Ų | 83.1 | 25% | 0.251 | 43% | 0.429 | S | S | . | . | I | π-helix | trans | -97.5 | -50 | -164.2 | -159.7 | -109.6 | 0 | 0 | 0 | 113.2 | F1544 I1552 L1597 Q1604 I1605 | F1544-Y1601 HydrophobicContact CD1-CD2 4.44Å; I1552-Y1601 HydrophobicContact CD1-CD2 4.49Å; I1552-Y1601 HydrophobicContact CD1-CE2 3.5Å; I1552-Y1601 VanDerWaalsContact CD1-CE2 3.5Å; I1552-Y1601 WeakPolarHBondContact CD1-OH 3.43Å; L1597-Y1601 HydrophobicContact CD2-CD1 4.36Å; L1597-Y1601 HydrophobicContact CD2-CG 4.37Å; L1597-Y1601 WeakPolarHBondContact O-CB 3.18Å; L1597-Y1601 PolarHBondContact O-N 3.37Å; Y1601-Q1604 PolarHBondContact O-N 3.13Å; Y1601-I1605 HydrophobicContact CD1-CD1 4.06Å; Y1601-I1605 HydrophobicContact CE1-CD1 3.98Å |
| 1602 | L | 49.7 | Very low | 46 | Very low | 97 Ų | 97 | 87.5 Ų | 87.5 | 51% | 0.508 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -56.7 | -42.7 | -179.8 | -100.3 | 155.5 | 0 | 0 | 0 | 115 | L1597 Q1604 I1605 | L1597-L1602 PolarHBondContact O-N 2.93Å; L1602-Q1604 VanDerWaalsContact C-N 3.33Å; L1602-Q1604 PolarHBondContact O-N 3.48Å; L1602-I1605 PolarHBondContact O-N 3.12Å |
| 1603 | P | 52.3 | Low | 45.6 | Very low | 95 Ų | 95 | 89.7 Ų | 89.7 | 62% | 0.617 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -69.8 | -23.6 | -176.3 | -23.6 | 36.5 | 0 | 0 | 0 | 114.9 | Q1598 H1599 I1605 | Q1598-P1603 WeakPolarHBondContact O-CD 3.47Å; H1599-P1603 WeakPolarHBondContact O-CG 3.3Å; P1603-I1605 VanDerWaalsContact C-N 3.34Å |
| 1604 | Q | 49.1 | Very low | 45.2 | Very low | 101 Ų | 101 | 88.4 Ų | 88.4 | 47% | 0.472 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -82.2 | -12.8 | -178.3 | -64.7 | -169.5 | 61.4 | 0 | 0 | 113.2 | V1600 Y1601 L1602 G1606 | V1600-Q1604 PolarHBondContact O-NE2 3.27Å; Y1601-Q1604 PolarHBondContact O-N 3.13Å; L1602-Q1604 VanDerWaalsContact C-N 3.33Å; L1602-Q1604 PolarHBondContact O-N 3.48Å; Q1604-G1606 VanDerWaalsContact C-N 3.32Å; Q1604-G1606 PolarHBondContact O-N 3.49Å |
| 1605 | I | 40.6 | Very low | 45.1 | Very low | 67 Ų | 67 | 86.3 Ų | 86.3 | 34% | 0.344 | 44% | 0.444 | S | S | . | . | trans | -79.8 | 80.3 | -177.9 | -61.2 | 173.5 | 0 | 0 | 0 | 109.9 | Y1601 L1602 P1603 L1607 L1608 | Y1601-I1605 HydrophobicContact CD1-CD1 4.06Å; Y1601-I1605 HydrophobicContact CE1-CD1 3.98Å; L1602-I1605 PolarHBondContact O-N 3.12Å; P1603-I1605 VanDerWaalsContact C-N 3.34Å; I1605-L1607 HydrophobicContact CG2-CB 3.94Å; I1605-L1607 HydrophobicContact CG2-CD1 3.96Å; I1605-L1607 HydrophobicContact CG2-CG 4.13Å; I1605-L1607 PolarHBondContact O-N 3.37Å; I1605-L1608 PolarHBondContact O-N 3.05Å | ||
| 1606 | G | 41.5 | Very low | 44.5 | Very low | 55 Ų | 55 | 89.9 Ų | 89.9 | 57% | 0.567 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -60 | -5.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q1604 L1608 K1609 | Q1604-G1606 VanDerWaalsContact C-N 3.32Å; Q1604-G1606 PolarHBondContact O-N 3.49Å; G1606-L1608 PolarHBondContact O-N 3.43Å; G1606-L1608 VanDerWaalsContact O-N 3.13Å; G1606-K1609 PolarHBondContact O-N 3.08Å |
| 1607 | L | 39 | Very low | 43.8 | Very low | 109 Ų | 109 | 91.6 Ų | 91.6 | 57% | 0.571 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -57.9 | -21.7 | 174.9 | -66.3 | 171.4 | 0 | 0 | 0 | 113.4 | I1605 K1609 N1610 | I1605-L1607 HydrophobicContact CG2-CB 3.94Å; I1605-L1607 HydrophobicContact CG2-CD1 3.96Å; I1605-L1607 HydrophobicContact CG2-CG 4.13Å; I1605-L1607 PolarHBondContact O-N 3.37Å; L1607-K1609 PolarHBondContact O-N 3.23Å; L1607-N1610 PolarHBondContact O-N 3.03Å |
| 1608 | L | 36.4 | Very low | 43.3 | Very low | 121 Ų | 121 | 95.2 Ų | 95.2 | 63% | 0.634 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -63.1 | -15.5 | 175.8 | -71.4 | 171.7 | 0 | 0 | 0 | 114.3 | I1605 G1606 N1610 | I1605-L1608 PolarHBondContact O-N 3.05Å; G1606-L1608 PolarHBondContact O-N 3.43Å; G1606-L1608 VanDerWaalsContact O-N 3.13Å; L1608-N1610 PolarHBondContact O-N 3.06Å |
| 1609 | K | 45.3 | Very low | 42.6 | Very low | 194 Ų | 194 | 101.1 Ų | 101.1 | 84% | 0.843 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -79.3 | -7.4 | 179.5 | -72.3 | -172.4 | 175.7 | -179.2 | 0 | 115.2 | G1606 L1607 P1611 | G1606-K1609 PolarHBondContact O-N 3.08Å; L1607-K1609 PolarHBondContact O-N 3.23Å; K1609-P1611 WeakPolarHBondContact O-CD 3.4Å |
| 1610 | N | 39.6 | Very low | 41.5 | Very low | 85 Ų | 85 | 104.8 Ų | 104.8 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | trans | -102.2 | 106 | -177.8 | -173.4 | -25.6 | 0 | 0 | 0 | 112 | L1607 L1608 K1612 F1613 T1614 | L1607-N1610 PolarHBondContact O-N 3.03Å; L1608-N1610 PolarHBondContact O-N 3.06Å; N1610-K1612 VanDerWaalsContact C-N 3.27Å; N1610-K1612 PolarHBondContact O-N 3.18Å; N1610-K1612 PolarHBondContact OD1-N 3.06Å; N1610-K1612 VanDerWaalsContact OD1-N 3.15Å; N1610-F1613 HydrophobicContact CB-CB 4.03Å; N1610-F1613 WeakPolarHBondContact O-CA 3.49Å; N1610-F1613 WeakPolarHBondContact O-CB 3.42Å; N1610-F1613 PolarHBondContact O-N 3.14Å; N1610-T1614 PolarHBondContact O-N 3.21Å; N1610-T1614 PolarHBondContact O-OG1 3.42Å; N1610-T1614 VanDerWaalsContact O-OG1 3.1Å | ||
| 1611 | P | 43.1 | Very low | 40.8 | Very low | 86 Ų | 86 | 110.9 Ų | 110.9 | 56% | 0.558 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.7 | -27.4 | -173.6 | 24.5 | -34.2 | 0 | 0 | 0 | 114 | K1609 F1613 T1614 I1615 | K1609-P1611 WeakPolarHBondContact O-CD 3.4Å; P1611-F1613 VanDerWaalsContact C-N 3.25Å; P1611-F1613 PolarHBondContact O-N 2.88Å; P1611-T1614 PolarHBondContact O-N 3.42Å; P1611-I1615 WeakPolarHBondContact O-CB 3.24Å; P1611-I1615 VanDerWaalsContact O-CG1 3.28Å; P1611-I1615 WeakPolarHBondContact O-CG1 3.48Å; P1611-I1615 PolarHBondContact O-N 3.2Å |
| 1612 | K | 40.1 | Very low | 40 | Very low | 173 Ų | 173 | 110.2 Ų | 110.2 | 75% | 0.752 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.6 | -26.5 | 172.9 | -70.1 | -177.8 | 178.7 | 176.1 | 0 | 112.2 | N1610 | N1610-K1612 VanDerWaalsContact C-N 3.27Å; N1610-K1612 PolarHBondContact O-N 3.18Å; N1610-K1612 PolarHBondContact OD1-N 3.06Å; N1610-K1612 VanDerWaalsContact OD1-N 3.15Å |
| 1613 | F | 35.9 | Very low | 39.2 | Very low | 90 Ų | 90 | 112.7 Ų | 112.7 | 40% | 0.395 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -82.8 | -41.9 | 174.9 | -147 | -104.1 | 0 | 0 | 0 | 110.8 | N1610 P1611 I1615 K1616 L1617 | N1610-F1613 HydrophobicContact CB-CB 4.03Å; N1610-F1613 WeakPolarHBondContact O-CA 3.49Å; N1610-F1613 WeakPolarHBondContact O-CB 3.42Å; N1610-F1613 PolarHBondContact O-N 3.14Å; P1611-F1613 VanDerWaalsContact C-N 3.25Å; P1611-F1613 PolarHBondContact O-N 2.88Å; F1613-I1615 VanDerWaalsContact C-N 3.35Å; F1613-I1615 PolarHBondContact O-N 3.4Å; F1613-K1616 WeakPolarHBondContact O-CA 3.27Å; F1613-K1616 WeakPolarHBondContact O-CB 3.31Å; F1613-K1616 PolarHBondContact O-N 3.24Å; F1613-L1617 HydrophobicContact CD1-CD1 3.62Å; F1613-L1617 HydrophobicContact CE1-CD1 3.54Å; F1613-L1617 HydrophobicContact CG-CD1 4.47Å; F1613-L1617 HydrophobicContact CZ-CD1 4.33Å; F1613-L1617 PolarHBondContact O-N 3.25Å |
| 1614 | T | 36.5 | Very low | 38.6 | Very low | 40 Ų | 40 | 109.9 Ų | 109.9 | 25% | 0.245 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -55.9 | -46.3 | 173.7 | -42.1 | 0 | 0 | 0 | 0 | 111.8 | N1610 P1611 K1616 L1617 Q1618 | N1610-T1614 PolarHBondContact O-N 3.21Å; N1610-T1614 PolarHBondContact O-OG1 3.42Å; N1610-T1614 VanDerWaalsContact O-OG1 3.1Å; P1611-T1614 PolarHBondContact O-N 3.42Å; T1614-K1616 VanDerWaalsContact C-N 3.28Å; T1614-K1616 PolarHBondContact O-N 2.94Å; T1614-L1617 PolarHBondContact O-N 3.03Å; T1614-Q1618 HydrophobicContact CG2-CG 4.33Å; T1614-Q1618 WeakPolarHBondContact O-CB 3.38Å; T1614-Q1618 VanDerWaalsContact O-CG 3.3Å; T1614-Q1618 WeakPolarHBondContact O-CG 3.23Å; T1614-Q1618 PolarHBondContact O-N 3.08Å |
| 1615 | I | 42 | Very low | 38.1 | Very low | 101 Ų | 101 | 110 Ų | 110 | 52% | 0.518 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.2 | -27.2 | 177.2 | -68.2 | 167.1 | 0 | 0 | 0 | 112.4 | P1611 F1613 | P1611-I1615 WeakPolarHBondContact O-CB 3.24Å; P1611-I1615 VanDerWaalsContact O-CG1 3.28Å; P1611-I1615 WeakPolarHBondContact O-CG1 3.48Å; P1611-I1615 PolarHBondContact O-N 3.2Å; F1613-I1615 VanDerWaalsContact C-N 3.35Å; F1613-I1615 PolarHBondContact O-N 3.4Å |
| 1616 | K | 38.5 | Very low | 38.1 | Very low | 160 Ų | 160 | 112 Ų | 112 | 70% | 0.696 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -73.3 | -47 | 171.7 | -86 | -175.1 | 172 | -175.9 | 0 | 111.8 | F1613 T1614 | F1613-K1616 WeakPolarHBondContact O-CA 3.27Å; F1613-K1616 WeakPolarHBondContact O-CB 3.31Å; F1613-K1616 PolarHBondContact O-N 3.24Å; T1614-K1616 VanDerWaalsContact C-N 3.28Å; T1614-K1616 PolarHBondContact O-N 2.94Å |
| 1617 | L | 33.9 | Very low | 38.2 | Very low | 56 Ų | 56 | 114.1 Ų | 114.1 | 29% | 0.293 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.2 | -47.8 | 179.3 | -99.7 | 71.4 | 0 | 0 | 0 | 112.4 | F1613 T1614 R1619 K1620 Q1621 C1622 | F1613-L1617 HydrophobicContact CD1-CD1 3.62Å; F1613-L1617 HydrophobicContact CE1-CD1 3.54Å; F1613-L1617 HydrophobicContact CG-CD1 4.47Å; F1613-L1617 HydrophobicContact CZ-CD1 4.33Å; F1613-L1617 PolarHBondContact O-N 3.25Å; T1614-L1617 PolarHBondContact O-N 3.03Å; L1617-R1619 PolarHBondContact O-N 2.81Å; L1617-K1620 PolarHBondContact O-N 3.17Å; L1617-Q1621 PolarHBondContact O-N 3.25Å; L1617-C1622 PolarHBondContact O-N 2.67Å |
| 1618 | Q | 37.1 | Very low | 38.4 | Very low | 120 Ų | 120 | 111.3 Ų | 111.3 | 56% | 0.561 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -20.2 | -174.6 | -79.9 | 178.9 | -27 | 0 | 0 | 114.4 | T1614 | T1614-Q1618 HydrophobicContact CG2-CG 4.33Å; T1614-Q1618 WeakPolarHBondContact O-CB 3.38Å; T1614-Q1618 VanDerWaalsContact O-CG 3.3Å; T1614-Q1618 WeakPolarHBondContact O-CG 3.23Å; T1614-Q1618 PolarHBondContact O-N 3.08Å |
| 1619 | R | 36.1 | Very low | 38.7 | Very low | 207 Ų | 207 | 109.8 Ų | 109.8 | 78% | 0.781 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -9.9 | -172.6 | -83.5 | -175.4 | 163.6 | 177.9 | -3.9 | 116.5 | L1617 | L1617-R1619 PolarHBondContact O-N 2.81Š|
| 1620 | K | 32.8 | Very low | 38.8 | Very low | 175 Ų | 175 | 106 Ų | 106 | 76% | 0.761 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -148.9 | -14.5 | 179.5 | -80.5 | -152.9 | 172.2 | -160.8 | 0 | 118.8 | L1617 S1624 | L1617-K1620 PolarHBondContact O-N 3.17Å; K1620-S1624 PolarHBondContact O-OG 3.48Å |
| 1621 | Q | 39.1 | Very low | 39.2 | Very low | 132 Ų | 132 | 104.1 Ų | 104.1 | 62% | 0.617 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.9 | -39.3 | -174.8 | -74.2 | 174.8 | -51.1 | 0 | 0 | 113.4 | L1617 Y1623 S1624 | L1617-Q1621 PolarHBondContact O-N 3.25Å; Q1621-Y1623 VanDerWaalsContact C-N 3.32Å; Q1621-Y1623 PolarHBondContact O-N 3.41Å; Q1621-S1624 WeakPolarHBondContact O-CB 3.34Å; Q1621-S1624 PolarHBondContact O-N 3.32Å |
| 1622 | C | 31.9 | Very low | 39.2 | Very low | 50 Ų | 50 | 105 Ų | 105 | 34% | 0.338 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.2 | -33.8 | 174.7 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | L1617 S1624 I1625 I1626 | L1617-C1622 PolarHBondContact O-N 2.67Å; C1622-S1624 VanDerWaalsContact C-N 3.29Å; C1622-S1624 PolarHBondContact O-N 3.27Å; C1622-I1625 PolarHBondContact O-N 3.45Å; C1622-I1626 WeakPolarHBondContact O-CG1 3.37Å; C1622-I1626 PolarHBondContact O-N 3.12Å |
| 1623 | Y | 33.2 | Very low | 39.6 | Very low | 150 Ų | 150 | 105.8 Ų | 105.8 | 59% | 0.588 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63 | -36.8 | 178.2 | -130.4 | -85 | 0 | 0 | 0 | 112 | Q1621 I1626 Q1627 | Q1621-Y1623 VanDerWaalsContact C-N 3.32Å; Q1621-Y1623 PolarHBondContact O-N 3.41Å; Y1623-I1626 PolarHBondContact O-N 3.2Å; Y1623-Q1627 HydrophobicContact CD1-CG 4.16Å; Y1623-Q1627 WeakPolarHBondContact O-CB 3.36Å; Y1623-Q1627 WeakPolarHBondContact O-CG 3.39Å; Y1623-Q1627 PolarHBondContact O-N 3.35Å |
| 1624 | S | 39.6 | Very low | 40.4 | Very low | 35 Ų | 35 | 105.8 Ų | 105.8 | 25% | 0.245 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -60.7 | -46 | 175.7 | -44.9 | 0 | 0 | 0 | 0 | 112.1 | K1620 Q1621 C1622 Q1627 L1628 | K1620-S1624 PolarHBondContact O-OG 3.48Å; Q1621-S1624 WeakPolarHBondContact O-CB 3.34Å; Q1621-S1624 PolarHBondContact O-N 3.32Å; C1622-S1624 VanDerWaalsContact C-N 3.29Å; C1622-S1624 PolarHBondContact O-N 3.27Å; S1624-Q1627 PolarHBondContact O-N 3.14Å; S1624-L1628 WeakPolarHBondContact O-CB 3.32Å; S1624-L1628 WeakPolarHBondContact O-CG 3.37Å; S1624-L1628 PolarHBondContact O-N 2.93Å |
| 1625 | I | 38.4 | Very low | 40.9 | Very low | 103 Ų | 103 | 105.9 Ų | 105.9 | 53% | 0.528 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.1 | -34.5 | -179.1 | -61.5 | 169.6 | 0 | 0 | 0 | 111.4 | C1622 N1629 | C1622-I1625 PolarHBondContact O-N 3.45Å; I1625-N1629 PolarHBondContact O-N 3.43Å; I1625-N1629 VanDerWaalsContact O-N 3.16Å; I1625-N1629 PolarHBondContact O-ND2 2.82Å |
| 1626 | I | 39.3 | Very low | 41.2 | Very low | 111 Ų | 111 | 109 Ų | 109 | 57% | 0.569 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -70.3 | -41.1 | 174.1 | -67.3 | 167.1 | 0 | 0 | 0 | 110.6 | C1622 Y1623 N1629 H1630 | C1622-I1626 WeakPolarHBondContact O-CG1 3.37Å; C1622-I1626 PolarHBondContact O-N 3.12Å; Y1623-I1626 PolarHBondContact O-N 3.2Å; I1626-N1629 PolarHBondContact O-N 3.44Å; I1626-H1630 PolarHBondContact O-N 2.86Å |
| 1627 | Q | 45 | Very low | 41.7 | Very low | 98 Ų | 98 | 110.7 Ų | 110.7 | 46% | 0.458 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.2 | -39.5 | 174.6 | -76.5 | -176.4 | -51.4 | 0 | 0 | 112.3 | Y1623 S1624 N1629 H1630 I1631 | Y1623-Q1627 HydrophobicContact CD1-CG 4.16Å; Y1623-Q1627 WeakPolarHBondContact O-CB 3.36Å; Y1623-Q1627 WeakPolarHBondContact O-CG 3.39Å; Y1623-Q1627 PolarHBondContact O-N 3.35Å; S1624-Q1627 PolarHBondContact O-N 3.14Å; Q1627-N1629 PolarHBondContact O-N 3.23Å; Q1627-H1630 PolarHBondContact O-N 2.68Å; Q1627-H1630 VanDerWaalsContact O-N 3.17Å; Q1627-I1631 WeakPolarHBondContact O-CB 3.33Å; Q1627-I1631 VanDerWaalsContact O-CG1 3.25Å; Q1627-I1631 WeakPolarHBondContact O-CG1 3.34Å; Q1627-I1631 PolarHBondContact O-N 3.36Å |
| 1628 | L | 43.4 | Very low | 42.2 | Very low | 50 Ų | 50 | 110.6 Ų | 110.6 | 26% | 0.262 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -55.5 | -48 | 171.8 | -87.4 | 164.7 | 0 | 0 | 0 | 111.8 | S1624 H1630 I1631 R1632 Y1655 F1658 | S1624-L1628 WeakPolarHBondContact O-CB 3.32Å; S1624-L1628 WeakPolarHBondContact O-CG 3.37Å; S1624-L1628 PolarHBondContact O-N 2.93Å; L1628-H1630 PolarHBondContact O-N 2.89Å; L1628-I1631 PolarHBondContact O-N 2.74Å; L1628-R1632 WeakPolarHBondContact O-CB 3.49Å; L1628-R1632 PolarHBondContact O-N 2.67Å; L1628-Y1655 HydrophobicContact CD2-CD2 4.28Å; L1628-Y1655 HydrophobicContact CD2-CE2 3.98Å; L1628-F1658 HydrophobicContact CD1-CD1 3.9Å; L1628-F1658 HydrophobicContact CD1-CE1 3.81Å; L1628-F1658 HydrophobicContact CD2-CD1 3.81Å; L1628-F1658 HydrophobicContact CD2-CE1 4.37Å; L1628-F1658 HydrophobicContact CG-CD1 3.74Å; L1628-F1658 HydrophobicContact CG-CE1 3.78Å |
| 1629 | N | 41.7 | Very low | 42.3 | Very low | 89 Ų | 89 | 111.7 Ų | 111.7 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.8 | -32.5 | 176.7 | -83.4 | -58.7 | 0 | 0 | 0 | 113.3 | I1625 I1626 Q1627 R1633 | I1625-N1629 PolarHBondContact O-N 3.43Å; I1625-N1629 VanDerWaalsContact O-N 3.16Å; I1625-N1629 PolarHBondContact O-ND2 2.82Å; I1626-N1629 PolarHBondContact O-N 3.44Å; Q1627-N1629 PolarHBondContact O-N 3.23Å; N1629-R1633 WeakPolarHBondContact O-CB 3.5Å; N1629-R1633 WeakPolarHBondContact O-CG 3.01Å; N1629-R1633 PolarHBondContact O-N 3.16Å |
| 1630 | H | 47.4 | Very low | 42.5 | Very low | 114 Ų | 114 | 108.9 Ų | 108.9 | 53% | 0.528 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.8 | -41.4 | 173.9 | -160.1 | -41.9 | 0 | 0 | 0 | 111.8 | I1626 Q1627 L1628 R1633 E1634 | I1626-H1630 PolarHBondContact O-N 2.86Å; Q1627-H1630 PolarHBondContact O-N 2.68Å; Q1627-H1630 VanDerWaalsContact O-N 3.17Å; L1628-H1630 PolarHBondContact O-N 2.89Å; H1630-R1633 PolarHBondContact O-N 3.3Å; H1630-E1634 IonicContact CE1-OE1 3.4Å; H1630-E1634 WeakPolarHBondContact O-CG 3.38Å; H1630-E1634 PolarHBondContact O-N 3.21Å |
| 1631 | I | 47.6 | Very low | 42.9 | Very low | 47 Ų | 47 | 106.8 Ų | 106.8 | 24% | 0.241 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 176.9 | -67.6 | 163.7 | 0 | 0 | 0 | 110.2 | Q1627 L1628 R1633 E1634 L1635 Y1655 | Q1627-I1631 WeakPolarHBondContact O-CB 3.33Å; Q1627-I1631 VanDerWaalsContact O-CG1 3.25Å; Q1627-I1631 WeakPolarHBondContact O-CG1 3.34Å; Q1627-I1631 PolarHBondContact O-N 3.36Å; L1628-I1631 PolarHBondContact O-N 2.74Å; I1631-R1633 VanDerWaalsContact C-N 3.32Å; I1631-R1633 PolarHBondContact O-N 3.25Å; I1631-E1634 PolarHBondContact O-N 3.1Å; I1631-L1635 HydrophobicContact CG2-CD1 3.94Å; I1631-L1635 HydrophobicContact CG2-CG 4.39Å; I1631-L1635 WeakPolarHBondContact O-CB 3.4Å; I1631-L1635 WeakPolarHBondContact O-CG 3.45Å; I1631-L1635 PolarHBondContact O-N 3.39Å; I1631-Y1655 HydrophobicContact CG2-CD2 4.16Å |
| 1632 | R | 43.6 | Very low | 42.9 | Very low | 104 Ų | 104 | 108.5 Ų | 108.5 | 39% | 0.392 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.2 | -38.8 | 171.8 | -174.6 | 172.6 | 172.1 | 172.1 | -3.7 | 111.8 | D1590 L1628 F1636 | D1590-R1632 IonicContact OD2-CZ 2.67Å; D1590-R1632 IonicContact OD2-NH1 2.77Å; D1590-R1632 IonicContact OD2-NH2 3.76Å; D1590-R1632 PolarHBondContact OD2-NH2 3.23Å; L1628-R1632 WeakPolarHBondContact O-CB 3.49Å; L1628-R1632 PolarHBondContact O-N 2.67Å; R1632-F1636 HydrophobicContact CG-CD2 4.34Å; R1632-F1636 WeakPolarHBondContact O-CD2 3.49Å; R1632-F1636 PolarHBondContact O-N 3.23Å |
| 1633 | R | 49 | Very low | 43.3 | Very low | 189 Ų | 189 | 113.5 Ų | 113.5 | 71% | 0.713 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.1 | -39.3 | 175 | -82.2 | -177 | 170.8 | -170.9 | -2.4 | 113.8 | N1629 H1630 I1631 R1637 | N1629-R1633 WeakPolarHBondContact O-CB 3.5Å; N1629-R1633 WeakPolarHBondContact O-CG 3.01Å; N1629-R1633 PolarHBondContact O-N 3.16Å; H1630-R1633 PolarHBondContact O-N 3.3Å; I1631-R1633 VanDerWaalsContact C-N 3.32Å; I1631-R1633 PolarHBondContact O-N 3.25Å; R1633-R1637 PolarHBondContact O-N 3.24Å |
| 1634 | E | 51.4 | Low | 43.7 | Very low | 91 Ų | 91 | 110.6 Ų | 110.6 | 43% | 0.425 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.5 | -42.2 | 176.1 | -67.4 | -57.7 | 118.1 | 0 | 0 | 111.6 | H1630 I1631 F1636 R1637 S1638 | H1630-E1634 IonicContact CE1-OE1 3.4Å; H1630-E1634 WeakPolarHBondContact O-CG 3.38Å; H1630-E1634 PolarHBondContact O-N 3.21Å; I1631-E1634 PolarHBondContact O-N 3.1Å; E1634-F1636 VanDerWaalsContact C-N 3.28Å; E1634-F1636 PolarHBondContact O-N 2.91Å; E1634-R1637 PolarHBondContact O-N 3.36Å; E1634-S1638 PolarHBondContact O-N 3.32Å |
| 1635 | L | 48.1 | Very low | 43.9 | Very low | 42 Ų | 42 | 119 Ų | 119 | 22% | 0.22 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -56.1 | -40.1 | 174.6 | -81 | 168.4 | 0 | 0 | 0 | 112.5 | I1631 L1648 F1651 Y1655 | I1631-L1635 HydrophobicContact CG2-CD1 3.94Å; I1631-L1635 HydrophobicContact CG2-CG 4.39Å; I1631-L1635 WeakPolarHBondContact O-CB 3.4Å; I1631-L1635 WeakPolarHBondContact O-CG 3.45Å; I1631-L1635 PolarHBondContact O-N 3.39Å; L1635-L1648 HydrophobicContact CD2-CD1 3.95Å; L1635-F1651 HydrophobicContact CD2-CB 4.02Å; L1635-Y1655 HydrophobicContact CD1-CD2 4.2Å; L1635-Y1655 HydrophobicContact CD1-CG 4.39Å |
| 1636 | F | 48.7 | Very low | 44 | Very low | 165 Ų | 165 | 122.1 Ų | 122.1 | 72% | 0.724 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -77.5 | -14.7 | 175.4 | -92.3 | -89.8 | 0 | 0 | 0 | 114.4 | R1632 E1634 | R1632-F1636 HydrophobicContact CG-CD2 4.34Å; R1632-F1636 WeakPolarHBondContact O-CD2 3.49Å; R1632-F1636 PolarHBondContact O-N 3.23Å; E1634-F1636 VanDerWaalsContact C-N 3.28Å; E1634-F1636 PolarHBondContact O-N 2.91Å |
| 1637 | R | 48.4 | Very low | 44.5 | Very low | 197 Ų | 197 | 121.1 Ų | 121.1 | 74% | 0.743 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -91.4 | -25.8 | 176.2 | -85.4 | -179.5 | 159.8 | -173.4 | -7.4 | 114.3 | R1633 E1634 N1639 | R1633-R1637 PolarHBondContact O-N 3.24Å; E1634-R1637 PolarHBondContact O-N 3.36Å; R1637-N1639 PolarHBondContact O-N 2.95Å |
| 1638 | S | 44.3 | Very low | 44.6 | Very low | 53 Ų | 53 | 119.3 Ų | 119.3 | 37% | 0.371 | 56% | 0.561 | S | S | . | * | trans | -69.1 | -12.1 | -175.7 | 179.1 | 0 | 0 | 0 | 0 | 114.6 | E1634 N1640 | E1634-S1638 PolarHBondContact O-N 3.32Å; S1638-N1640 PolarHBondContact O-N 2.88Å | ||
| 1639 | N | 39.5 | Very low | 44.9 | Very low | 143 Ų | 143 | 123.1 Ų | 123.1 | 77% | 0.765 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 22.6 | -160.7 | -146 | 34.2 | 0 | 0 | 0 | 117.1 | R1637 | R1637-N1639 PolarHBondContact O-N 2.95Š|
| 1640 | N | 40.9 | Very low | 45.3 | Very low | 149 Ų | 149 | 124.5 Ų | 124.5 | 80% | 0.797 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.5 | 0.7 | -170.6 | -89.7 | -12.4 | 0 | 0 | 0 | 115.8 | S1638 | S1638-N1640 PolarHBondContact O-N 2.88Š|
| 1641 | N | 39.8 | Very low | 45.3 | Very low | 130 Ų | 130 | 123.5 Ų | 123.5 | 70% | 0.695 | 58% | 0.575 | S | S | * | * | trans | -137.2 | 125.9 | -179.1 | -86 | -57.8 | 0 | 0 | 0 | 114.1 | N1643 | N1641-N1643 VanDerWaalsContact C-N 3.26Å; N1641-N1643 PolarHBondContact O-N 2.89Å; N1641-N1643 VanDerWaalsContact O-N 3.1Å | ||
| 1642 | N | 39.1 | Very low | 45.3 | Very low | 169 Ų | 169 | 126.7 Ų | 126.7 | 90% | 0.904 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -3 | -169.7 | -75.9 | -37.3 | 0 | 0 | 0 | 116.6 | ||
| 1643 | N | 40.4 | Very low | 45.4 | Very low | 155 Ų | 155 | 127 Ų | 127 | 83% | 0.829 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -13.4 | -167.8 | -73 | -16.5 | 0 | 0 | 0 | 115.4 | N1641 R1645 | N1641-N1643 VanDerWaalsContact C-N 3.26Å; N1641-N1643 PolarHBondContact O-N 2.89Å; N1641-N1643 VanDerWaalsContact O-N 3.1Å; N1643-R1645 PolarHBondContact O-N 2.93Å |
| 1644 | E | 43.2 | Very low | 45.2 | Very low | 89 Ų | 89 | 121.7 Ų | 121.7 | 42% | 0.416 | 58% | 0.583 | S | S | . | * | trans | -99.6 | 22.8 | -168.3 | -61 | -161.7 | 125.9 | 0 | 0 | 115 | F1646 Q1647 L1648 | E1644-F1646 PolarHBondContact O-N 2.97Å; E1644-Q1647 HydrophobicContact CB-CB 4.43Å; E1644-Q1647 PolarHBondContact O-N 2.92Å; E1644-Q1647 PolarHBondContact OE1-NE2 3.15Å; E1644-L1648 PolarHBondContact O-N 3.26Å | ||
| 1645 | R | 41.9 | Very low | 44.9 | Very low | 211 Ų | 211 | 120.9 Ų | 120.9 | 80% | 0.796 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -53.1 | -31 | -175.4 | -157.6 | 174.4 | -170.1 | 168.6 | 4.7 | 114.1 | N1643 E1649 | N1643-R1645 PolarHBondContact O-N 2.93Å; R1645-E1649 WeakPolarHBondContact O-CG 2.99Å; R1645-E1649 PolarHBondContact O-N 3.1Å; R1645-E1649 VanDerWaalsContact O-N 3.16Å |
| 1646 | F | 42.3 | Very low | 44.7 | Very low | 168 Ų | 168 | 121.8 Ų | 121.8 | 74% | 0.737 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -78.1 | -33.3 | 177.5 | -146.9 | -81.7 | 0 | 0 | 0 | 113.3 | E1644 Q1650 | E1644-F1646 PolarHBondContact O-N 2.97Å; F1646-Q1650 PolarHBondContact O-N 2.82Å; F1646-Q1650 VanDerWaalsContact O-N 3.17Å |
| 1647 | Q | 48 | Very low | 44.3 | Very low | 91 Ų | 91 | 116.6 Ų | 116.6 | 43% | 0.425 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -71.3 | -38.9 | 171.1 | -70 | -171.1 | 59.1 | 0 | 0 | 110.5 | E1644 E1649 Q1650 F1651 | E1644-Q1647 HydrophobicContact CB-CB 4.43Å; E1644-Q1647 PolarHBondContact O-N 2.92Å; E1644-Q1647 PolarHBondContact OE1-NE2 3.15Å; Q1647-E1649 VanDerWaalsContact C-N 3.32Å; Q1647-E1649 PolarHBondContact O-N 3.4Å; Q1647-Q1650 CarbonylContact O-C 3.49Å; Q1647-Q1650 PolarHBondContact O-N 3.39Å; Q1647-Q1650 VanDerWaalsContact O-N 3.09Å; Q1647-F1651 WeakPolarHBondContact O-CD2 3.32Å; Q1647-F1651 PolarHBondContact O-N 3.25Å |
| 1648 | L | 47.1 | Very low | 43.8 | Very low | 60 Ų | 60 | 110.7 Ų | 110.7 | 31% | 0.314 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.9 | -38 | 176.7 | -168.9 | 68.2 | 0 | 0 | 0 | 112.1 | L1635 E1644 K1652 | L1635-L1648 HydrophobicContact CD2-CD1 3.95Å; E1644-L1648 PolarHBondContact O-N 3.26Å; L1648-K1652 WeakPolarHBondContact O-CB 3.11Å; L1648-K1652 VanDerWaalsContact O-CG 3.28Å; L1648-K1652 WeakPolarHBondContact O-CG 3.19Å; L1648-K1652 PolarHBondContact O-N 3.08Å |
| 1649 | E | 49.9 | Very low | 43.7 | Very low | 129 Ų | 129 | 113.5 Ų | 113.5 | 60% | 0.603 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61 | -45.4 | 169.1 | -74.2 | -90.1 | 117.8 | 0 | 0 | 111.6 | R1645 Q1647 K1652 M1653 | R1645-E1649 WeakPolarHBondContact O-CG 2.99Å; R1645-E1649 PolarHBondContact O-N 3.1Å; R1645-E1649 VanDerWaalsContact O-N 3.16Å; Q1647-E1649 VanDerWaalsContact C-N 3.32Å; Q1647-E1649 PolarHBondContact O-N 3.4Å; E1649-K1652 PolarHBondContact O-N 3.21Å; E1649-M1653 WeakPolarHBondContact O-CB 3.46Å; E1649-M1653 VanDerWaalsContact O-CG 3.29Å; E1649-M1653 WeakPolarHBondContact O-CG 3.16Å; E1649-M1653 PolarHBondContact O-N 3.13Å |
| 1650 | Q | 51.6 | Low | 43.6 | Very low | 118 Ų | 118 | 111.1 Ų | 111.1 | 55% | 0.551 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.5 | -40.2 | 176.9 | -77.8 | -169.1 | -35.8 | 0 | 0 | 113.3 | F1646 Q1647 M1653 T1654 | F1646-Q1650 PolarHBondContact O-N 2.82Å; F1646-Q1650 VanDerWaalsContact O-N 3.17Å; Q1647-Q1650 CarbonylContact O-C 3.49Å; Q1647-Q1650 PolarHBondContact O-N 3.39Å; Q1647-Q1650 VanDerWaalsContact O-N 3.09Å; Q1650-M1653 PolarHBondContact O-N 3.08Å; Q1650-T1654 WeakPolarHBondContact O-CB 3.12Å; Q1650-T1654 PolarHBondContact O-N 3.42Å; Q1650-T1654 PolarHBondContact O-OG1 2.89Å |
| 1651 | F | 46.4 | Very low | 43.2 | Very low | 94 Ų | 94 | 115 Ų | 115 | 41% | 0.412 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.8 | -36.6 | 175.2 | -84.5 | -71.6 | 0 | 0 | 0 | 111.8 | L1635 Q1647 T1654 Y1655 | L1635-F1651 HydrophobicContact CD2-CB 4.02Å; Q1647-F1651 WeakPolarHBondContact O-CD2 3.32Å; Q1647-F1651 PolarHBondContact O-N 3.25Å; F1651-T1654 PolarHBondContact O-N 3.49Å; F1651-Y1655 WeakPolarHBondContact O-CB 3.46Å; F1651-Y1655 PolarHBondContact O-N 3.26Å |
| 1652 | K | 48.3 | Very low | 43.4 | Very low | 114 Ų | 114 | 114.3 Ų | 114.3 | 50% | 0.496 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.6 | -44.7 | 171.3 | -77.4 | 178.7 | 177.7 | -174.9 | 0 | 112.3 | L1648 E1649 Y1655 S1656 | L1648-K1652 WeakPolarHBondContact O-CB 3.11Å; L1648-K1652 VanDerWaalsContact O-CG 3.28Å; L1648-K1652 WeakPolarHBondContact O-CG 3.19Å; L1648-K1652 PolarHBondContact O-N 3.08Å; E1649-K1652 PolarHBondContact O-N 3.21Å; K1652-Y1655 PolarHBondContact O-N 3.07Å; K1652-S1656 WeakPolarHBondContact O-CB 3.37Å; K1652-S1656 PolarHBondContact O-N 3.41Å; K1652-S1656 PolarHBondContact O-OG 3.42Å; K1652-S1656 VanDerWaalsContact O-OG 3.13Å |
| 1653 | M | 46.2 | Very low | 43.6 | Very low | 109 Ų | 109 | 111.4 Ų | 111.4 | 54% | 0.537 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -55.6 | -50.5 | 171.5 | -78.1 | -88.3 | -69.9 | 0 | 0 | 110.7 | E1649 Q1650 Y1655 S1656 S1657 | E1649-M1653 WeakPolarHBondContact O-CB 3.46Å; E1649-M1653 VanDerWaalsContact O-CG 3.29Å; E1649-M1653 WeakPolarHBondContact O-CG 3.16Å; E1649-M1653 PolarHBondContact O-N 3.13Å; Q1650-M1653 PolarHBondContact O-N 3.08Å; M1653-Y1655 PolarHBondContact O-N 3.19Å; M1653-S1656 PolarHBondContact O-N 2.99Å; M1653-S1657 VanDerWaalsContact O-CB 3.31Å; M1653-S1657 WeakPolarHBondContact O-CB 3.43Å; M1653-S1657 PolarHBondContact O-N 3.14Å; M1653-S1657 PolarHBondContact O-OG 2.66Å |
| 1654 | T | 44.4 | Very low | 43.8 | Very low | 79 Ų | 79 | 108.9 Ų | 108.9 | 49% | 0.485 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | -179.6 | -51.8 | 0 | 0 | 0 | 0 | 111.8 | Q1650 F1651 F1658 | Q1650-T1654 WeakPolarHBondContact O-CB 3.12Å; Q1650-T1654 PolarHBondContact O-N 3.42Å; Q1650-T1654 PolarHBondContact O-OG1 2.89Å; F1651-T1654 PolarHBondContact O-N 3.49Å; T1654-F1658 VanDerWaalsContact O-CB 3.27Å; T1654-F1658 WeakPolarHBondContact O-CB 3.32Å; T1654-F1658 PolarHBondContact O-N 3.33Å |
| 1655 | Y | 44.5 | Very low | 43.8 | Very low | 73 Ų | 73 | 110.1 Ų | 110.1 | 29% | 0.286 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.4 | -46.3 | 178.3 | -172.9 | -99.2 | 0 | 0 | 0 | 111.6 | L1628 I1631 L1635 F1651 K1652 M1653 F1658 I1659 | L1628-Y1655 HydrophobicContact CD2-CD2 4.28Å; L1628-Y1655 HydrophobicContact CD2-CE2 3.98Å; I1631-Y1655 HydrophobicContact CG2-CD2 4.16Å; L1635-Y1655 HydrophobicContact CD1-CD2 4.2Å; L1635-Y1655 HydrophobicContact CD1-CG 4.39Å; F1651-Y1655 WeakPolarHBondContact O-CB 3.46Å; F1651-Y1655 PolarHBondContact O-N 3.26Å; K1652-Y1655 PolarHBondContact O-N 3.07Å; M1653-Y1655 PolarHBondContact O-N 3.19Å; Y1655-F1658 CarbonylContact O-C 3.59Å; Y1655-F1658 PolarHBondContact O-N 3.24Å; Y1655-I1659 HydrophobicContact CD1-CD1 3.82Å; Y1655-I1659 HydrophobicContact CE1-CD1 3.39Å; Y1655-I1659 PolarHBondContact O-N 3.1Å |
| 1656 | S | 44.2 | Very low | 43.9 | Very low | 62 Ų | 62 | 103.8 Ų | 103.8 | 43% | 0.434 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 174.4 | -66.1 | 0 | 0 | 0 | 0 | 112 | K1652 M1653 F1658 I1659 L1660 | K1652-S1656 WeakPolarHBondContact O-CB 3.37Å; K1652-S1656 PolarHBondContact O-N 3.41Å; K1652-S1656 PolarHBondContact O-OG 3.42Å; K1652-S1656 VanDerWaalsContact O-OG 3.13Å; M1653-S1656 PolarHBondContact O-N 2.99Å; S1656-F1658 PolarHBondContact O-N 3.4Å; S1656-I1659 PolarHBondContact O-N 2.8Å; S1656-I1659 VanDerWaalsContact O-N 3.09Å; S1656-L1660 WeakPolarHBondContact O-CB 3.37Å; S1656-L1660 WeakPolarHBondContact O-CD1 3.31Å; S1656-L1660 VanDerWaalsContact O-CG 3.28Å; S1656-L1660 WeakPolarHBondContact O-CG 3.38Å; S1656-L1660 PolarHBondContact O-N 3.09Å |
| 1657 | S | 39.2 | Very low | 44.1 | Very low | 56 Ų | 56 | 99.5 Ų | 99.5 | 39% | 0.392 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67 | -17 | 175.7 | -69.8 | 0 | 0 | 0 | 0 | 113.8 | M1653 F1661 | M1653-S1657 VanDerWaalsContact O-CB 3.31Å; M1653-S1657 WeakPolarHBondContact O-CB 3.43Å; M1653-S1657 PolarHBondContact O-N 3.14Å; M1653-S1657 PolarHBondContact O-OG 2.66Å; S1657-F1661 VanDerWaalsContact O-CB 3.25Å; S1657-F1661 WeakPolarHBondContact O-CB 3.5Å |
| 1658 | F | 38.3 | Very low | 43.8 | Very low | 72 Ų | 72 | 100.1 Ų | 100.1 | 32% | 0.316 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -93.1 | -13.3 | 172.3 | -153.4 | -84.2 | 0 | 0 | 0 | 112.9 | L1628 T1654 Y1655 S1656 | L1628-F1658 HydrophobicContact CD1-CD1 3.9Å; L1628-F1658 HydrophobicContact CD1-CE1 3.81Å; L1628-F1658 HydrophobicContact CD2-CD1 3.81Å; L1628-F1658 HydrophobicContact CD2-CE1 4.37Å; L1628-F1658 HydrophobicContact CG-CD1 3.74Å; L1628-F1658 HydrophobicContact CG-CE1 3.78Å; T1654-F1658 VanDerWaalsContact O-CB 3.27Å; T1654-F1658 WeakPolarHBondContact O-CB 3.32Å; T1654-F1658 PolarHBondContact O-N 3.33Å; Y1655-F1658 CarbonylContact O-C 3.59Å; Y1655-F1658 PolarHBondContact O-N 3.24Å; S1656-F1658 PolarHBondContact O-N 3.4Å |
| 1659 | I | 41.7 | Very low | 43.5 | Very low | 112 Ų | 112 | 103.2 Ų | 103.2 | 57% | 0.574 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -85.2 | -26.6 | 165.3 | -72.5 | 174 | 0 | 0 | 0 | 110.6 | Y1655 S1656 | Y1655-I1659 HydrophobicContact CD1-CD1 3.82Å; Y1655-I1659 HydrophobicContact CE1-CD1 3.39Å; Y1655-I1659 PolarHBondContact O-N 3.1Å; S1656-I1659 PolarHBondContact O-N 2.8Å; S1656-I1659 VanDerWaalsContact O-N 3.09Å |
| 1660 | L | 38.4 | Very low | 43 | Very low | 93 Ų | 93 | 101.1 Ų | 101.1 | 49% | 0.487 | 50% | 0.499 | S | S | . | . | trans | -83 | -4.1 | 176.2 | -69.6 | 162.5 | 0 | 0 | 0 | 114.2 | E1463 S1656 | E1463-L1660 HydrophobicContact CB-CD1 4.23Å; S1656-L1660 WeakPolarHBondContact O-CB 3.37Å; S1656-L1660 WeakPolarHBondContact O-CD1 3.31Å; S1656-L1660 VanDerWaalsContact O-CG 3.28Å; S1656-L1660 WeakPolarHBondContact O-CG 3.38Å; S1656-L1660 PolarHBondContact O-N 3.09Å | ||
| 1661 | F | 32.7 | Very low | 42.2 | Very low | 231 Ų | 231 | 99.5 Ų | 99.5 | 100% | 1.013 | 49% | 0.494 | S | S | * | . | trans | -122.1 | 0 | -170.3 | -169.5 | -74.2 | 0 | 0 | 0 | 114.3 | S1657 | S1657-F1661 VanDerWaalsContact O-CB 3.25Å; S1657-F1661 WeakPolarHBondContact O-CB 3.5Å |
Retrieved 1,661 of 1,661 residues in 2081.1 ms
(Link to these results)